@prefix BFO: <http://purl.obolibrary.org/obo/BFO_> .
@prefix CHEBI: <http://purl.obolibrary.org/obo/CHEBI_> .
@prefix CHEMINF: <http://semanticscience.org/resource/CHEMINF_> .
@prefix COB: <http://purl.obolibrary.org/obo/COB_> .
@prefix FIX: <http://purl.obolibrary.org/obo/FIX_> .
@prefix MI: <http://purl.obolibrary.org/obo/MI_> .
@prefix MOP: <http://purl.obolibrary.org/obo/MOP_> .
@prefix NCIT: <http://purl.obolibrary.org/obo/NCIT_> .
@prefix OntoRxn: <http://www.semanticweb.com/OntoRxn#> .
@prefix RO: <http://purl.obolibrary.org/obo/RO_> .
@prefix RXNO: <http://purl.obolibrary.org/obo/RXNO_> .
@prefix SIO: <http://semanticscience.org/resource/SIO_> .
@prefix Wikipedia: <https://en.wikipedia.org/wiki/> .
@prefix biolink: <https://w3id.org/biolink/> .
@prefix biotop: <http://purl.org/biotop/biotop.owl#> .
@prefix bo: <http://www.blueobelisk.org/dict/terminology> .
@prefix chebi.property: <http://purl.obolibrary.org/obo/chebi/> .
@prefix chemrof: <https://w3id.org/chemrof/> .
@prefix damlpt: <http://www.daml.org/2003/01/periodictable/PeriodicTable#> .
@prefix dcterms: <http://purl.org/dc/terms/> .
@prefix gc: <http://purl.org/gc/> .
@prefix goldbook: <https://goldbook.iupac.org/terms/view/> .
@prefix linkml: <https://w3id.org/linkml/> .
@prefix owl: <http://www.w3.org/2002/07/owl#> .
@prefix pav: <http://purl.org/pav/> .
@prefix rdf: <http://www.w3.org/1999/02/22-rdf-syntax-ns#> .
@prefix rdfs: <http://www.w3.org/2000/01/rdf-schema#> .
@prefix schema1: <http://schema.org/> .
@prefix skos: <http://www.w3.org/2004/02/skos/core#> .
@prefix wd: <http://www.wikidata.org/entity/> .
@prefix wdeschema: <https://www.wikidata.org/wiki/Special:EntitySchemaText/> .
@prefix xsd: <http://www.w3.org/2001/XMLSchema#> .

chemrof:AZE_notation_html a owl:DatatypeProperty ;
    rdfs:label "AZE_notation_html" ;
    dcterms:title "AZE notation html" ;
    rdfs:subPropertyOf chemrof:chemical_representation ;
    skos:definition "E.g. <super>12</super>/<sub>6</sub>C" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:AcidAnionGroupingClass a owl:Class ;
    rdfs:label "AcidAnionGroupingClass" ;
    dcterms:title "acid anion grouping class" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:name ],
        [ a owl:Restriction ;
            owl:allValuesFrom [ a rdfs:Datatype ;
                    owl:onDatatype xsd:string ;
                    owl:withRestrictions ( [ xsd:pattern "ate$" ] ) ] ;
            owl:onProperty chemrof:name ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:name ],
        chemrof:GroupingClassForAcidsOrBases ;
    skos:definition "A molecule grouping class that groups the different ion forms of the base of an acid" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:AcidBaseConflationClass a owl:Class ;
    rdfs:label "AcidBaseConflationClass" ;
    dcterms:title "acid base conflation class" ;
    rdfs:subClassOf chemrof:GroupingClassForAcidsOrBases ;
    skos:definition "A molecule grouping class that can groups an acid together with all its conjugate bases. physiological" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:AtomGroupingByPeriodicTableBlock a owl:Class ;
    rdfs:label "AtomGroupingByPeriodicTableBlock" ;
    dcterms:title "atom grouping by periodic table block" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:allValuesFrom chemrof:PeriodicTableBlockEnum ;
            owl:onProperty chemrof:in_periodic_table_block ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:in_periodic_table_block ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:in_periodic_table_block ],
        chemrof:AtomGroupingByPeriodicTablePlacement ;
    skos:definition "Example: group 13 atom" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:AtomGroupingByPeriodicTableGroup a owl:Class ;
    rdfs:label "AtomGroupingByPeriodicTableGroup" ;
    dcterms:title "atom grouping by periodic table group" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:allValuesFrom xsd:int ;
            owl:onProperty chemrof:in_periodic_table_group ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:in_periodic_table_group ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:in_periodic_table_group ],
        chemrof:AtomGroupingByPeriodicTablePlacement ;
    skos:definition "Example: p-block atom" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:AtomGroupingByProperty a owl:Class ;
    rdfs:label "AtomGroupingByProperty" ;
    dcterms:title "atom grouping by property" ;
    rdfs:subClassOf chemrof:AtomGroupingClass ;
    skos:definition "Example: metal atom" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:ChemicalGroupingByCharge a owl:Class ;
    rdfs:label "ChemicalGroupingByCharge" ;
    dcterms:title "chemical grouping by charge" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:allValuesFrom chemrof:MoleculeGroupingClass ;
            owl:onProperty chemrof:subtype_of ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:subtype_of ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:has_charge_state ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:charge_agnostic_entity ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:anyURI ;
            owl:onProperty chemrof:has_charge_state ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:ChemicalEntity ;
            owl:onProperty chemrof:charge_agnostic_entity ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:has_charge_state ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:charge_agnostic_entity ],
        chemrof:ChemicalGroupingClass ;
    skos:definition "A grouping class that refines a charge-neutral entity" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:ChemicalSaltByAnion a owl:Class ;
    rdfs:label "ChemicalSaltByAnion" ;
    dcterms:title "chemical salt by anion" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:has_anionic_component ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:name ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:name ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:string ;
            owl:onProperty chemrof:name ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:has_anionic_component ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:string ;
            owl:onProperty chemrof:has_anionic_component ],
        chemrof:ChemicalSaltGroupingClass ;
    skos:definition "A grouping class for a chemical salt named by anion" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:ChemicalSaltByCation a owl:Class ;
    rdfs:label "ChemicalSaltByCation" ;
    dcterms:title "chemical salt by cation" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:name ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:has_cationic_component ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:string ;
            owl:onProperty chemrof:has_cationic_component ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:has_cationic_component ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:name ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:string ;
            owl:onProperty chemrof:name ],
        chemrof:ChemicalSaltGroupingClass ;
    skos:definition "A grouping class for a chemical salt named by cation" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:ChiralityCenter a owl:Class ;
    rdfs:label "ChiralityCenter" ;
    dcterms:title "chirality center" ;
    rdfs:subClassOf chemrof:Stereocenter ;
    skos:definition "a stereocenter consisting of an atom holding a set of ligands (atoms or groups of atoms) in a spatial arrangement which is not superimposable on its mirror image. " ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:Collection a owl:Class ;
    rdfs:label "Collection" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:entities ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:DomainEntity ;
            owl:onProperty chemrof:entities ],
        linkml:ClassDefinition ;
    skos:definition "This utility class serves to collect a set of domain entities, and to be the top level object in tree-based representations such as JSON." ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:GeneralAcidBaseGroupingClass a owl:Class ;
    rdfs:label "GeneralAcidBaseGroupingClass" ;
    dcterms:title "general acid base grouping class" ;
    rdfs:subClassOf chemrof:GroupingClassForAcidsOrBases ;
    skos:definition "A molecule grouping class that can groups an acid together with all its conjugate bases. physiological" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:MolecularDerivativeGroupingClass a owl:Class ;
    rdfs:label "MolecularDerivativeGroupingClass" ;
    dcterms:title "molecular derivative grouping class" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:classifies ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:derivative_of ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:DomainEntity ;
            owl:onProperty chemrof:derivative_of ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:name ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:derivative_of ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:classifies ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:string ;
            owl:onProperty chemrof:name ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:name ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:Molecule ;
            owl:onProperty chemrof:classifies ],
        chemrof:MoleculeGroupingClass ;
    skos:definition "A grouping class defined as a derivative of another molecule or molecular grouping class" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:MoleculeGroupingClassDefinedByAdditionOfAGroup a owl:Class ;
    rdfs:label "MoleculeGroupingClassDefinedByAdditionOfAGroup" ;
    dcterms:title "molecule grouping class defined by addition of a group" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:allValuesFrom chemrof:PolyatomicEntity ;
            owl:onProperty chemrof:derivative_of ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:has_group ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:derivative_of ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:derivative_of ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:has_group ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:ChemicalGroup ;
            owl:onProperty chemrof:has_group ],
        chemrof:MoleculeGroupingClass ;
    skos:definition "A grouping class defined in terms of a derivative of a molecule and the addition of a group" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:MoleculeGroupingClassDefinedByComponents a owl:Class ;
    rdfs:label "MoleculeGroupingClassDefinedByComponents" ;
    dcterms:title "molecule grouping class defined by components" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:has_part ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:has_part ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:ChemicalEntityOrGrouping ;
            owl:onProperty chemrof:has_part ],
        chemrof:MoleculeGroupingClass ;
    skos:definition "A grouping class defined as an exhaustive list of components" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:MonomericPolymericGroupingClass a owl:Class ;
    rdfs:label "MonomericPolymericGroupingClass" ;
    dcterms:title "monomeric polymeric grouping class" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:has_repeat_unit ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:has_repeat_unit ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:ChemicalEntity ;
            owl:onProperty chemrof:has_repeat_unit ],
        chemrof:GeneralizedMolecularStructureClass ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:PeriodicTablePlacement a owl:Class ;
    rdfs:label "PeriodicTablePlacement" ;
    dcterms:title "periodic table placement" ;
    rdfs:subClassOf chemrof:ChemicalInformation ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:StandardInchiObject a owl:Class ;
    rdfs:label "StandardInchiObject" ;
    dcterms:title "standard inchi object" ;
    rdfs:seeAlso Wikipedia:International_Chemical_Identifier ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:inchi_stereochemical_type_sublayer ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:inchi_chemical_sublayer ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:inchi_chemical_sublayer ],
        [ a owl:Restriction ;
            owl:allValuesFrom [ a rdfs:Datatype ;
                    owl:onDatatype xsd:string ;
                    owl:withRestrictions ( [ xsd:pattern "^c.*" ] ) ] ;
            owl:onProperty chemrof:inchi_atom_connections_sublayer ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:inchi_stereochemical_type_sublayer ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:inchi_hydrogen_connections_sublayer ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:inchi_atom_connections_sublayer ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:inchi_proton_sublayer ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:inchi_isotopic_layer ],
        [ a owl:Restriction ;
            owl:allValuesFrom [ a rdfs:Datatype ;
                    owl:onDatatype xsd:string ;
                    owl:withRestrictions ( [ xsd:pattern "^p[\\-]\\d+" ] ) ] ;
            owl:onProperty chemrof:inchi_proton_sublayer ],
        [ a owl:Restriction ;
            owl:allValuesFrom [ a rdfs:Datatype ;
                    owl:onDatatype xsd:string ;
                    owl:withRestrictions ( [ xsd:pattern "^q.*" ] ) ] ;
            owl:onProperty chemrof:inchi_charge_sublayer ],
        [ a owl:Restriction ;
            owl:allValuesFrom [ a rdfs:Datatype ;
                    owl:onDatatype xsd:string ;
                    owl:withRestrictions ( [ xsd:pattern "^h.*" ] ) ] ;
            owl:onProperty chemrof:inchi_hydrogen_connections_sublayer ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:inchi_tetrahedral_stereochemical_sublayer ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:inchi_tetrahedral_stereochemical_sublayer ],
        [ a owl:Restriction ;
            owl:allValuesFrom [ a rdfs:Datatype ;
                    owl:onDatatype xsd:string ;
                    owl:withRestrictions ( [ xsd:pattern "^[ih].*" ] ) ] ;
            owl:onProperty chemrof:inchi_isotopic_layer ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:inchi_charge_sublayer ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:inchi_proton_sublayer ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:inchi_stereochemical_double_bond_sublayer ],
        [ a owl:Restriction ;
            owl:minCardinality 1 ;
            owl:onProperty chemrof:inchi_version_string ],
        [ a owl:Restriction ;
            owl:allValuesFrom [ a rdfs:Datatype ;
                    owl:onDatatype xsd:string ;
                    owl:withRestrictions ( [ xsd:pattern "^s.*" ] ) ] ;
            owl:onProperty chemrof:inchi_stereochemical_type_sublayer ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:inchi_isotopic_layer ],
        [ a owl:Restriction ;
            owl:allValuesFrom [ a rdfs:Datatype ;
                    owl:onDatatype xsd:string ;
                    owl:withRestrictions ( [ xsd:pattern "^[tm].*" ] ) ] ;
            owl:onProperty chemrof:inchi_tetrahedral_stereochemical_sublayer ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:inchi_stereochemical_double_bond_sublayer ],
        [ a owl:Restriction ;
            owl:allValuesFrom [ a rdfs:Datatype ;
                    owl:onDatatype xsd:string ;
                    owl:withRestrictions ( [ xsd:pattern "^1S$" ] ) ] ;
            owl:onProperty chemrof:inchi_version_string ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:inchi_hydrogen_connections_sublayer ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:inchi_version_string ],
        [ a owl:Restriction ;
            owl:allValuesFrom [ a rdfs:Datatype ;
                    owl:onDatatype xsd:string ;
                    owl:withRestrictions ( [ xsd:pattern "^b.*" ] ) ] ;
            owl:onProperty chemrof:inchi_stereochemical_double_bond_sublayer ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:inchi_charge_sublayer ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:inchi_atom_connections_sublayer ],
        [ a owl:Restriction ;
            owl:allValuesFrom [ a rdfs:Datatype ;
                    owl:onDatatype xsd:string ;
                    owl:withRestrictions ( [ xsd:pattern "^[A-Z0-9\\.]+$" ] ) ] ;
            owl:onProperty chemrof:inchi_chemical_sublayer ],
        chemrof:InchiObject ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:TanimotoSimilarity a owl:Class ;
    rdfs:label "TanimotoSimilarity" ;
    dcterms:title "tanimoto similarity" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:score ],
        [ a owl:Restriction ;
            owl:allValuesFrom [ a rdfs:Datatype ;
                    owl:intersectionOf ( xsd:float [ a rdfs:Datatype ;
                                owl:onDatatype xsd:float ;
                                owl:withRestrictions ( [ xsd:minInclusive 1e+00 ] ) ] [ a rdfs:Datatype ;
                                owl:onDatatype xsd:float ;
                                owl:withRestrictions ( [ xsd:maxInclusive 1e+00 ] ) ] ) ] ;
            owl:onProperty chemrof:score ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:score ],
        chemrof:MoleculePairwiseSimilarity ;
    skos:altLabel "Jaccard similarity",
        "Tanimoto coefficient" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:atomically_connected_to a owl:ObjectProperty ;
    rdfs:label "atomically_connected_to" ;
    dcterms:title "atomically connected to" ;
    rdfs:domain chemrof:AtomOccurrence ;
    rdfs:range chemrof:AtomOccurrence ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:canonical_smiles_string a owl:DatatypeProperty ;
    rdfs:label "canonical_smiles_string" ;
    dcterms:title "canonical smiles string" ;
    rdfs:subPropertyOf chemrof:smiles_string ;
    skos:definition "A deterministic SMILES string. Note there is no unique system for canonical smiles strings" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:carbbank_representation a owl:DatatypeProperty ;
    rdfs:label "carbbank_representation" ;
    dcterms:title "carbbank representation" ;
    rdfs:subPropertyOf chemrof:carboydrate_representation ;
    skos:definition "The carbohydrate structure format used by the Complex Carbohydrate Structure Database (CCSD) originally developed at the University of Georgia. This is a 2D structure where bars and hyphens are used to indicate linkages, and monosaccharides are specified in the following order, separated by hyphens: anomer - configuration symbol - monosaccharide abbreviation." ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:charge a owl:DatatypeProperty ;
    rdfs:label "charge" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:chebi_formula a owl:DatatypeProperty ;
    rdfs:label "chebi_formula" ;
    rdfs:seeAlso <https://docs.google.com/document/d/1_w-DwBdCCOh1gMeeP6yqGzcnkpbHYOa3AGSODe5epcg/edit#heading=h.fblha9sgxp10> ;
    rdfs:subPropertyOf chemrof:chemical_formula ;
    skos:definition "A CHEBI formular combines aspects of molecular and generalized molecular formulae, and may also be an atom symbol" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:curly_smiles_string a owl:DatatypeProperty ;
    rdfs:label "curly_smiles_string" ;
    dcterms:title "curly smiles string" ;
    rdfs:seeAlso <http://www.axeleratio.com/csm/proj/main.htm> ;
    rdfs:subPropertyOf chemrof:chemical_formula ;
    skos:altLabel "CurlySMILES" ;
    skos:definition "CurlySMILES is a chemical line notation which extends SMILES with annotations for storage, retrieval and modeling of interlinked, coordinated, assembled and adsorbed molecules in supramolecular structures and nanodevices. https://jcheminf.biomedcentral.com/articles/10.1186/1758-2946-3-1" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:enantiomer_of a owl:DatatypeProperty ;
    rdfs:label "enantiomer_of" ;
    dcterms:title "enantiomer of" ;
    rdfs:subPropertyOf chemrof:stereoisomer_of ;
    skos:altLabel "enantiomorph of" ;
    skos:definition "a stereoisomer relationship where the two forms are mirror images of one another" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:epimer_of a owl:DatatypeProperty ;
    rdfs:label "epimer_of" ;
    dcterms:title "epimer of" ;
    rdfs:subPropertyOf chemrof:diastereoisomers_of ;
    skos:definition "A diastereoisomer of relationship in which the isomers differ at only one stereocenter" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:extended_smiles_string a owl:DatatypeProperty ;
    rdfs:label "extended_smiles_string" ;
    dcterms:title "extended smiles string" ;
    rdfs:subPropertyOf chemrof:smiles_string ;
    skos:altLabel "CXSMILES" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:functional_isomer_of a owl:DatatypeProperty ;
    rdfs:label "functional_isomer_of" ;
    dcterms:title "functional isomer of" ;
    rdfs:subPropertyOf chemrof:structural_isomer_of ;
    skos:altLabel "functional group isomer of" ;
    skos:definition "structural isomers that have the same molecular formula (that is, the same number of atoms of the same elements), but the atoms are connected in different ways so that the groupings are dissimilar." ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:generalized_empirical_formula a owl:DatatypeProperty ;
    rdfs:label "generalized_empirical_formula" ;
    dcterms:title "generalized empirical formula" ;
    rdfs:subPropertyOf chemrof:chemical_formula ;
    skos:definition "A variant of an empirical formula where numbers are replaced by generic ns; e.g. CnH2n+2 for alkane" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:glycoct_condensed a owl:DatatypeProperty ;
    rdfs:label "glycoct_condensed" ;
    dcterms:title "glycoct condensed" ;
    rdfs:subPropertyOf chemrof:carboydrate_representation ;
    skos:definition "This is a multiline format used by GlycomeDB, among others, and uses a graph notation to represent glycans, similar to KCF. Monosaccharides are specified more strictly to be able to map the monosaccharides between different representations. Substituents, such as N-acetyl, are specified as separate nodes from their basetypes and are linked together in the edge section. If newlines are removed, this format can be made linear." ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:glycominds_linearcode_representation a owl:DatatypeProperty ;
    rdfs:label "glycominds_linearcode_representation" ;
    dcterms:title "glycominds linearcode representation" ;
    rdfs:subPropertyOf chemrof:carboydrate_representation ;
    skos:definition "A linear notation proposed by GlycoMinds, Ltd., where monosaccharides are indicated by a one- or two-letter code, linkages are indicated by “a” or “b” for anomers and a single number for the carbon number linkage on the reducing end, and branches are indicated by parentheses. This format is the most compact among existing formats, and several databases use a modified form of this format to accommodate additional codes and varying carbohydrate structures (such as ambiguous structures)." ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:has_acid_form a owl:ObjectProperty ;
    rdfs:label "has_acid_form" ;
    dcterms:title "has acid form" ;
    rdfs:domain chemrof:MoleculeByChargeState ;
    rdfs:range chemrof:MoleculeByChargeState ;
    rdfs:subPropertyOf chemrof:conjugate_base_of ;
    skos:definition "connects a base to the acid form. E.g. citrate(3-) has acid form citric acid" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:has_cyclic_structure a owl:DatatypeProperty ;
    rdfs:label "has_cyclic_structure" ;
    dcterms:title "has cyclic structure" ;
    rdfs:domain chemrof:Molecule ;
    rdfs:range xsd:boolean ;
    rdfs:subPropertyOf chemrof:chemical_property ;
    skos:definition "true if the molecule possesses a cycle in the atom connectivity graph" ;
    skos:inScheme <https://w3id.org/chemrof> ;
    skos:mappingRelation CHEMINF:000067 .

chemrof:has_derivative a owl:DatatypeProperty ;
    rdfs:label "has_derivative" ;
    dcterms:title "has derivative" ;
    rdfs:subPropertyOf chemrof:alternate_form_of ;
    owl:inverseOf chemrof:derivative_of ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:has_molfile_location a owl:DatatypeProperty ;
    rdfs:label "has_molfile_location" ;
    dcterms:title "has molfile location" ;
    rdfs:range xsd:anyURI ;
    rdfs:subPropertyOf chemrof:information_property ;
    skos:definition "Location of a MolFile representing a chemical structure" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:has_physiologically_stable_form a owl:DatatypeProperty ;
    rdfs:label "has_physiologically_stable_form" ;
    dcterms:title "has physiologically stable form (Deprecated)" ;
    rdfs:seeAlso <has_major_microspecies_at_pH7_3> ;
    skos:definition "Different term for the concept of a major microspecies at pH 7.3." ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:has_polymer_repeat_units a owl:ObjectProperty ;
    rdfs:label "has_polymer_repeat_units" ;
    dcterms:title "has polymer repeat units" ;
    rdfs:range chemrof:PolymerRepeatUnit ;
    skos:definition "Relation between a polymer and all instances of a repeated polymeric unit" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:has_rauxinfo_representation a owl:DatatypeProperty ;
    rdfs:label "has_rauxinfo_representation" ;
    dcterms:title "has rauxinfo representation" ;
    rdfs:seeAlso <https://jcheminf.biomedcentral.com/articles/10.1186/s13321-018-0277-8> ;
    rdfs:subPropertyOf chemrof:chemical_representation ;
    skos:altLabel "RAuxInfo" ;
    skos:definition "Auxhiliary information on top of a RInChi" ;
    skos:inScheme <https://w3id.org/chemrof> ;
    skos:note "A half-reaction, such as a RInChI with starting materials and no identified products, is a valid RInChI" .

chemrof:has_reaction_smarts_representation a owl:DatatypeProperty ;
    rdfs:label "has_reaction_smarts_representation" ;
    dcterms:title "has reaction SMARTS representation" ;
    rdfs:subPropertyOf chemrof:has_reaction_representation ;
    skos:altLabel "reaction SMARTS" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:has_smirks_representation a owl:DatatypeProperty ;
    rdfs:label "has_smirks_representation" ;
    dcterms:title "has reaction SMILES representation" ;
    rdfs:seeAlso <https://daylight.com/dayhtml_tutorials/languages/smirks/> ;
    rdfs:subPropertyOf chemrof:has_reaction_representation ;
    skos:altLabel "SMIRKS" ;
    skos:definition "A reaction transform language that is a superset of reaction SMILES and a subset of reaction SMARTS" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:has_subtype a owl:DatatypeProperty ;
    rdfs:label "has_subtype" ;
    dcterms:title "has subtype" ;
    rdfs:subPropertyOf chemrof:chemical_to_chemical_relationship ;
    owl:inverseOf chemrof:subtype_of ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:inchi2d_key_string a owl:DatatypeProperty ;
    rdfs:label "inchi2d_key_string" ;
    dcterms:title "inchi2d key string" ;
    rdfs:subPropertyOf chemrof:hashed_chemical_formula ;
    skos:altLabel "InChi2DKey",
        "inchi2d key" ;
    skos:definition "A hashed representation of an InChi2D string" ;
    skos:inScheme <https://w3id.org/chemrof> ;
    chemrof:hash_of "inchi2d_string" .

chemrof:inchi2d_string a owl:DatatypeProperty ;
    rdfs:label "inchi2d_string" ;
    dcterms:title "InChi2D" ;
    rdfs:subPropertyOf chemrof:chemical_formula ;
    skos:altLabel "InChi" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:inchi_fixed_H_layer a owl:DatatypeProperty ;
    rdfs:label "inchi_fixed_H_layer" ;
    dcterms:title "inchi fixed H layer" ;
    rdfs:subPropertyOf chemrof:inchi_sublayer ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:inchi_key_string a owl:DatatypeProperty ;
    rdfs:label "inchi_key_string" ;
    dcterms:title "inchi key string" ;
    rdfs:subPropertyOf chemrof:hashed_chemical_formula ;
    skos:altLabel "InChiKey",
        "inchi key" ;
    skos:definition "A hashed representation of an InChi string" ;
    skos:inScheme <https://w3id.org/chemrof> ;
    chemrof:hash_of "inchi_string" .

chemrof:inchi_reconnected_layer a owl:DatatypeProperty ;
    rdfs:label "inchi_reconnected_layer" ;
    dcterms:title "inchi reconnected layer" ;
    rdfs:subPropertyOf chemrof:inchi_sublayer ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:isotone_of a owl:ObjectProperty ;
    rdfs:label "isotone_of" ;
    dcterms:title "isotone of" ;
    rdfs:domain chemrof:Isotope ;
    rdfs:range chemrof:Isotope ;
    rdfs:subPropertyOf chemrof:alternate_form_of ;
    skos:definition "relationship that holds between two isotones, always holds if the isotones have a different atomic number and the same neutron number." ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:isotopologue_of a owl:ObjectProperty ;
    rdfs:label "isotopologue_of" ;
    dcterms:title "isotopologue of" ;
    rdfs:domain chemrof:Molecule ;
    rdfs:range chemrof:Molecule ;
    rdfs:seeAlso <https://doi.org/10.1002/rcm.5129>,
        <https://doi.org/10.1093/gigascience/giae071>,
        Wikipedia:Isotopologue ;
    rdfs:subPropertyOf chemrof:alternate_form_of ;
    skos:altLabel "isotopolog_of" ;
    skos:definition "a relationship that holds between two forms of a parent molecule with identical chemical formulas but are differentiated by the number of neutrons in at least one atom" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:isotopomer_of a owl:DatatypeProperty ;
    rdfs:label "isotopomer_of" ;
    rdfs:seeAlso Wikipedia:Isotopomer ;
    rdfs:subPropertyOf chemrof:chemical_isomer_of ;
    skos:altLabel "isotopic_isomer_of" ;
    skos:definition "isomers which differ by isotopic substitution, and which have the same number of atoms of each isotope but in a different arrangement." ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:kcat a owl:DatatypeProperty ;
    rdfs:label "kcat" ;
    skos:altLabel "turnover number" ;
    skos:definition "The maximum number of substrate molecules converted to product per enzyme molecule per unit time, when the enzyme is saturated with substrate. It represents the maximum catalytic efficiency of an enzyme under ideal conditions." ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:kegg_chemical_function_representation a owl:DatatypeProperty ;
    rdfs:label "kegg_chemical_function_representation" ;
    dcterms:title "kegg chemical function representation" ;
    rdfs:subPropertyOf chemrof:carboydrate_representation ;
    skos:definition "A multiline format used by the KEGG GLYCAN database and represents glycans as graphs. Monosaccharides are represented as nodes, and glycosidic linkages are represented as edges. Each node is given a unique number, and x- and y- coordinates are specified such that the glycan structure can be drawn on a 2D plane. Edge information uses the node numbers to specify anomeric and carbon number information. Monosaccharide names are specified as text, and no particular rules are specified to represent these names." ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:linucs_representation a owl:DatatypeProperty ;
    rdfs:label "linucs_representation" ;
    dcterms:title "linucs representation" ;
    rdfs:seeAlso <https://github.com/biopragmatics/bioregistry/issues/537> ;
    rdfs:subPropertyOf chemrof:carboydrate_representation ;
    skos:definition "A unique linear notation proposed and used by GLYCOSCIENCES.de, with the reducing end specified on the left. Monosaccharides, written according to CarbBank rules, are surrounded by square brackets and anomers, and stereochemistry is specified and separated by hyphens. Glycosidic linkages are also surrounded by hyphens, and carbon numbers of the linkages are separated by the plus sign. Branches are indicated by curly brackets." ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:logP6_partition_coefficient a owl:DatatypeProperty ;
    rdfs:label "logP6_partition_coefficient" ;
    dcterms:source <https://www.lipidmaps.org/data/PhyschemPropHelp.html> ;
    dcterms:title "logP6_partition_coefficient" ;
    rdfs:subPropertyOf chemrof:chemical_property ;
    skos:definition "logP partition coefficient calculated from 2D structure using contributions from pre-defined structure fragments. It corresponds to: log(Poctanol/Pwater) = log(SoluteInOctanol/SoluteInWater)" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:long_rinchi_key_string a owl:DatatypeProperty ;
    rdfs:label "long_rinchi_key_string" ;
    dcterms:title "long rinchi key string" ;
    rdfs:subPropertyOf chemrof:rinchi_key_string ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:lychi_string a owl:DatatypeProperty ;
    rdfs:label "lychi_string" ;
    dcterms:title "lychi string" ;
    rdfs:seeAlso <https://github.com/ncats/lychi> ;
    rdfs:subPropertyOf chemrof:chemical_formula ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:michaelis_constant a owl:DatatypeProperty ;
    rdfs:label "michaelis_constant" ;
    skos:altLabel "Km" ;
    skos:definition "the substrate concentration at which the reaction rate is half of its maximum value (Vmax)" ;
    skos:inScheme <https://w3id.org/chemrof> ;
    skos:note "A lower Km indicates higher affinity (the enzyme needs less substrate to achieve half its maximum rate",
        "Km is typically expressed in units of concentration (e.g., mol/L, μM, mM)" .

chemrof:molar_cohesive_energy a owl:DatatypeProperty ;
    rdfs:label "molar_cohesive_energy" ;
    dcterms:title "molar cohesive energy" ;
    rdfs:subPropertyOf chemrof:thermophysical_property ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:molar_refractivity a owl:DatatypeProperty ;
    rdfs:label "molar_refractivity" ;
    dcterms:source <https://www.lipidmaps.org/data/PhyschemPropHelp.html> ;
    dcterms:title "molar refractivity" ;
    rdfs:subPropertyOf chemrof:chemical_property ;
    skos:definition "Molar refractivity calculated from 2D structure using contributions from pre-defined structure fragments." ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:molar_value a owl:DatatypeProperty ;
    rdfs:label "molar_value" ;
    dcterms:title "molar value" ;
    rdfs:subPropertyOf chemrof:thermophysical_property ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:molecular_charge a owl:DatatypeProperty ;
    rdfs:label "molecular_charge" ;
    dcterms:title "molecular charge" ;
    rdfs:range xsd:integer ;
    rdfs:subPropertyOf chemrof:molecular_property ;
    skos:definition "The electric charge of a molecule, typically expressed as multiples of the elementary charge." ;
    skos:exactMatch FIX:0000275 ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:molecular_electronic_absorption_spectroscopy a owl:DatatypeProperty ;
    rdfs:label "molecular_electronic_absorption_spectroscopy" ;
    dcterms:title "molecular electronic absorption spectroscopy" ;
    rdfs:subPropertyOf chemrof:molecular_property ;
    skos:exactMatch FIX:0000011 ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:molecular_electronic_spectroscopy a owl:DatatypeProperty ;
    rdfs:label "molecular_electronic_spectroscopy" ;
    dcterms:title "molecular electronic spectroscopy" ;
    rdfs:range xsd:string ;
    rdfs:subPropertyOf chemrof:molecular_property ;
    skos:definition "A molecular property describing absorption or emission of electromagnetic radiation due to electronic transitions." ;
    skos:exactMatch FIX:0000943 ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:molecular_formula a owl:DatatypeProperty ;
    rdfs:label "molecular_formula" ;
    dcterms:title "molecular formula" ;
    rdfs:subPropertyOf chemrof:chemical_formula ;
    skos:altLabel "Hill notation",
        "chemical_formula" ;
    skos:definition "A chemical formula where numbers denote atom count. E.g. C6H12O6  for glucose" ;
    skos:inScheme <https://w3id.org/chemrof> ;
    skos:mappingRelation CHEMINF:000042 .

chemrof:molecular_heat_capacity a owl:DatatypeProperty ;
    rdfs:label "molecular_heat_capacity" ;
    dcterms:title "molecular heat capacity" ;
    rdfs:range xsd:float ;
    rdfs:subPropertyOf chemrof:molecular_property ;
    skos:definition "The amount of heat required to raise the temperature of one mole of a molecule by one Kelvin." ;
    skos:exactMatch FIX:0000389 ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:molecular_hydration a owl:DatatypeProperty ;
    rdfs:label "molecular_hydration" ;
    dcterms:title "molecular hydration" ;
    rdfs:range xsd:integer ;
    rdfs:subPropertyOf chemrof:molecular_property ;
    skos:definition "The number of water molecules associated with or bound to a molecule." ;
    skos:exactMatch FIX:0000272 ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:molecular_replacement a owl:DatatypeProperty ;
    rdfs:label "molecular_replacement" ;
    dcterms:title "molecular replacement" ;
    rdfs:subPropertyOf chemrof:molecular_property ;
    skos:exactMatch FIX:0000251 ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:molecular_shape a owl:DatatypeProperty ;
    rdfs:label "molecular_shape" ;
    dcterms:title "molecular shape" ;
    rdfs:range xsd:string ;
    rdfs:subPropertyOf chemrof:molecular_property ;
    skos:definition "The geometric configuration or three-dimensional arrangement of atoms within a molecule." ;
    skos:exactMatch FIX:0000273 ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:molecular_size a owl:DatatypeProperty ;
    rdfs:label "molecular_size" ;
    dcterms:title "molecular size" ;
    rdfs:range xsd:float ;
    rdfs:subPropertyOf chemrof:molecular_property ;
    skos:definition "A property reflecting the spatial dimensions or volume occupied by a molecule." ;
    skos:exactMatch FIX:0000271 ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:molecular_spectroscopy a owl:DatatypeProperty ;
    rdfs:label "molecular_spectroscopy" ;
    dcterms:title "molecular spectroscopy" ;
    rdfs:subPropertyOf chemrof:molecular_property ;
    skos:exactMatch FIX:0000063 ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:molecular_spectroscopy_by_energy_state a owl:DatatypeProperty ;
    rdfs:label "molecular_spectroscopy_by_energy_state" ;
    dcterms:title "molecular spectroscopy by energy state" ;
    rdfs:subPropertyOf chemrof:molecular_property ;
    skos:exactMatch FIX:0000030 ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:molecular_structure a owl:DatatypeProperty ;
    rdfs:label "molecular_structure" ;
    dcterms:title "molecular structure" ;
    rdfs:range xsd:string ;
    rdfs:subPropertyOf chemrof:molecular_property ;
    skos:definition "The specific arrangement of atoms in a molecule, usually represented by chemical notation or structural formulas." ;
    skos:exactMatch FIX:0000305 ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:next_in_homologous_series_from a owl:ObjectProperty ;
    rdfs:label "next_in_homologous_series_from" ;
    dcterms:title "next in homologous series from" ;
    rdfs:domain chemrof:Molecule ;
    rdfs:range chemrof:Molecule ;
    rdfs:seeAlso Wikipedia:Homologous_series ;
    skos:definition "Next in a sequence of compounds with the same functional group and similar chemical properties in which the members of the series can be branched or unbranched. E.g.  ethane (C2H6) next in homologous series from methane (CH4)" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:nuclear_isomer_of a owl:ObjectProperty ;
    rdfs:label "nuclear_isomer_of" ;
    dcterms:title "nuclear isomer of" ;
    rdfs:domain chemrof:Isotope ;
    rdfs:range chemrof:Isotope ;
    rdfs:subPropertyOf chemrof:alternate_form_of ;
    skos:definition "relationship that holds between two nuclear isomers, always holds if the isomers have the same nucleon number but different energy states" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:number_of_aromatic_rings a owl:DatatypeProperty ;
    rdfs:label "number_of_aromatic_rings" ;
    dcterms:source <https://www.lipidmaps.org/data/PhyschemPropHelp.html> ;
    dcterms:title "number of aromatic rings" ;
    rdfs:subPropertyOf chemrof:chemical_property ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:number_of_heavy_atoms a owl:DatatypeProperty ;
    rdfs:label "number_of_heavy_atoms" ;
    dcterms:source <https://www.lipidmaps.org/data/PhyschemPropHelp.html> ;
    dcterms:title "Heavy Atoms" ;
    rdfs:subPropertyOf chemrof:chemical_property ;
    skos:definition "number of of non-hydrogen atoms" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:number_of_hydrogen_bond_acceptors a owl:DatatypeProperty ;
    rdfs:label "number_of_hydrogen_bond_acceptors" ;
    dcterms:source <https://www.lipidmaps.org/data/PhyschemPropHelp.html> ;
    dcterms:title "number of hydrogen bond acceptors" ;
    rdfs:subPropertyOf chemrof:chemical_property ;
    skos:definition "number of hydrogen bond acceptors corresponding to sum of nitrogen atoms without any any implicit/explicit hydrogen atom and all oxygen atoms" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:number_of_hydrogen_bond_donors a owl:DatatypeProperty ;
    rdfs:label "number_of_hydrogen_bond_donors" ;
    dcterms:source <https://www.lipidmaps.org/data/PhyschemPropHelp.html> ;
    dcterms:title "number of hydrogen bond donors" ;
    rdfs:subPropertyOf chemrof:chemical_property ;
    skos:definition "number of hydrogen bond donors corresponding to sum of nitrogen and oxygen atoms with at least one implicit/explicit hydrogen atom" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:number_of_rings a owl:DatatypeProperty ;
    rdfs:label "number_of_rings" ;
    dcterms:source <https://www.lipidmaps.org/data/PhyschemPropHelp.html> ;
    dcterms:title "number of rings" ;
    rdfs:subPropertyOf chemrof:chemical_property ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:number_of_rotatable_bonds a owl:DatatypeProperty ;
    rdfs:label "number_of_rotatable_bonds" ;
    dcterms:source <https://www.lipidmaps.org/data/PhyschemPropHelp.html> ;
    dcterms:title "number of rotatable bonds" ;
    rdfs:subPropertyOf chemrof:chemical_property ;
    skos:definition "number of rotatable bonds corresponds to single bonds excluding following types of single bonds terminal bonds; attached to triple bonds; amide, thioamide and sulfonamide bonds." ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:object_atom_occurrence a owl:ObjectProperty ;
    rdfs:label "object_atom_occurrence" ;
    dcterms:title "object atom occurrence" ;
    rdfs:range chemrof:AtomOccurrence ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:position_isomer_of a owl:DatatypeProperty ;
    rdfs:label "position_isomer_of" ;
    dcterms:title "position isomer of" ;
    rdfs:subPropertyOf chemrof:structural_isomer_of ;
    skos:altLabel "regioisomerism isomer of" ;
    skos:definition "a functional group or other substituent changes position on a parent structure." ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:reaction_has_bidirectional_form a owl:DatatypeProperty ;
    rdfs:label "reaction_has_bidirectional_form" ;
    dcterms:title "reaction has bidirectional form" ;
    rdfs:subPropertyOf chemrof:variant_reaction_of ;
    skos:exactMatch <http://purl.obolibrary.org/obo/rhea#_has_bi_reaction> ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:selfies_string a owl:DatatypeProperty ;
    rdfs:label "selfies_string" ;
    dcterms:title "selfies string" ;
    rdfs:seeAlso <https://iopscience.iop.org/article/10.1088/2632-2153/aba947> ;
    rdfs:subPropertyOf chemrof:chemical_formula ;
    skos:altLabel "SELFIES" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:short_rinchi_key_string a owl:DatatypeProperty ;
    rdfs:label "short_rinchi_key_string" ;
    dcterms:title "short rinchi key string" ;
    rdfs:subPropertyOf chemrof:rinchi_key_string ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:skeletal_isomer_of a owl:DatatypeProperty ;
    rdfs:label "skeletal_isomer_of" ;
    dcterms:title "skeletal isomer of" ;
    rdfs:subPropertyOf chemrof:structural_isomer_of ;
    skos:altLabel "chain isomer of" ;
    skos:definition "components of the (usually carbon) skeleton are distinctly re-ordered to create different structures. Pentane exists as three isomers: n-pentane (often called simply \"pentane\"), isopentane (2-methylbutane) and neopentane (dimethylpropane)." ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:subject_atom_occurrence a owl:ObjectProperty ;
    rdfs:label "subject_atom_occurrence" ;
    dcterms:title "subject atom occurrence" ;
    rdfs:range chemrof:AtomOccurrence ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:tautomer_of a owl:DatatypeProperty ;
    rdfs:label "tautomer_of" ;
    dcterms:title "tautomer of" ;
    rdfs:subPropertyOf chemrof:structural_isomer_of ;
    skos:definition "structural isomers (constitutional isomers) of chemical compounds that readily interconvert. Examples: a neutral amino acid and its zwitterion" ;
    skos:exactMatch RO:0018036 ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:topological_polar_surface_area a owl:DatatypeProperty ;
    rdfs:label "topological_polar_surface_area" ;
    dcterms:source <https://www.lipidmaps.org/data/PhyschemPropHelp.html> ;
    dcterms:title "topological polar surface area" ;
    rdfs:subPropertyOf chemrof:chemical_property ;
    skos:definition "Topological Polar Surface Area corresponding to nitrogen and oxygen atoms calculated from 2D structure using contributions from pre-defined structure fragments containing these atoms" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:transitive_conjugatated_form_of a owl:DatatypeProperty,
        owl:TransitiveProperty ;
    rdfs:label "transitive_conjugatated_form_of" ;
    dcterms:title "transitive conjugatated form of" ;
    rdfs:subPropertyOf chemrof:derivative_of ;
    skos:inScheme <https://w3id.org/chemrof> ;
    chemrof:transitive_closure_of "direct conjugatated from" .

chemrof:tucan_string a owl:DatatypeProperty ;
    rdfs:label "tucan_string" ;
    dcterms:title "tucan string" ;
    rdfs:seeAlso <https://doi.org/10.21203/rs.3.rs-1466562/v1> ;
    rdfs:subPropertyOf chemrof:chemical_formula ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:van_der_waals_molecular_volume a owl:DatatypeProperty ;
    rdfs:label "van_der_waals_molecular_volume" ;
    dcterms:source <https://www.lipidmaps.org/data/PhyschemPropHelp.html> ;
    dcterms:title "van der waals molecular volume" ;
    rdfs:subPropertyOf chemrof:chemical_property ;
    skos:definition "van der Waals molecular volume calculated from 2D structure using atomic radii with adjustments for number of bonds, aromatic and non-aromatic rings" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:wurcs_representation a owl:DatatypeProperty ;
    rdfs:label "wurcs_representation" ;
    dcterms:title "wurcs representation" ;
    rdfs:range [ a rdfs:Datatype ;
            owl:onDatatype xsd:string ;
            owl:withRestrictions ( [ xsd:pattern "^WURCS=Version/.*" ] ) ] ;
    rdfs:subPropertyOf chemrof:carboydrate_representation ;
    skos:altLabel "WURCS" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:ChemicalSimilarity a owl:Class ;
    rdfs:label "ChemicalSimilarity" ;
    dcterms:title "similarity" ;
    rdfs:subClassOf chemrof:ChemicalRelationship ;
    skos:definition "A relationship between two or more chemical entities where there is some degree of similarity between these entities on their similarity" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:EntityWithAtomsEnumerated a owl:Class ;
    rdfs:label "EntityWithAtomsEnumerated" ;
    dcterms:title "entity with atoms enumerated" ;
    rdfs:subClassOf chemrof:SpecificityMixin ;
    skos:definition "A mixin for an entity that consists of one or more atoms where the atoms and the number of occurrences is counted (corresponding to the chemical layer in InChI)" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:EntityWithChargeSpecified a owl:Class ;
    rdfs:label "EntityWithChargeSpecified" ;
    dcterms:title "entity with charge specified" ;
    rdfs:subClassOf chemrof:SpecificityMixin ;
    skos:definition "A mixin for an entity where the charge is explicitly specified (corresponding to the /q layer in InChI)" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:EntityWithConnectivitySpecificied a owl:Class ;
    rdfs:label "EntityWithConnectivitySpecificied" ;
    dcterms:title "entity with connectivity specificied" ;
    rdfs:subClassOf chemrof:SpecificityMixin ;
    skos:definition "A mixin for an entity that consists of two or more atom occurrences where the connectivity is specified (corresponding to the /c layer in InChI)" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:EntityWithIsotopeSpecified a owl:Class ;
    rdfs:label "EntityWithIsotopeSpecified" ;
    dcterms:title "entity with isotope specified" ;
    rdfs:subClassOf chemrof:SpecificityMixin ;
    skos:definition "A mixin for an entity where the charge is explicitly specified (corresponding to the /q layer in InChI)" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:EntityWithStereochemistrySpecified a owl:Class ;
    rdfs:label "EntityWithStereochemistrySpecified" ;
    dcterms:title "entity with stereochemistry specified" ;
    rdfs:subClassOf chemrof:SpecificityMixin ;
    skos:definition "A mixin for an entity where the stereochemistry is explicitly specified (corresponding to the /t, m/, and /s layers in InChI)" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:GeneralizedMolecularStructureClass a owl:Class ;
    rdfs:label "GeneralizedMolecularStructureClass" ;
    dcterms:title "generalized molecular structure class" ;
    rdfs:subClassOf chemrof:MoleculeGroupingClass ;
    skos:definition "A molecule grouping class that can be written using a chemical formula using variables (e.g. n), or arithmetic expressions uing variables (e.g. 2n+2), plus optionally constraints on those variables (e.g. n>3). An example is alkane; CnH2n+2, which groups specific molecules such as methane" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:InchiObject a owl:Class ;
    rdfs:label "InchiObject" ;
    dcterms:title "inchi object" ;
    rdfs:seeAlso <https://doi.org/10.1186/s13321-015-0068-4> ;
    rdfs:subClassOf chemrof:ChemicalInformation ;
    skos:definition "A representation of an InChI string as an object, composed of distinct sublayers" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:Location a owl:Class ;
    rdfs:label "Location" ;
    dcterms:title "location" ;
    rdfs:subClassOf linkml:ClassDefinition ;
    skos:definition "Abstract grouping for entities that represent abstract or concrete locations of chemical entities or their parts." ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:MaterialGroupingClass a owl:Class ;
    rdfs:label "MaterialGroupingClass" ;
    dcterms:title "material grouping class" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:allValuesFrom chemrof:Material ;
            owl:onProperty chemrof:classifies ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:classifies ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:classifies ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:MaterialGroupingClass ;
            owl:onProperty chemrof:subtype_of ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:subtype_of ],
        chemrof:PhysicochemicalEntityGroupingClass ;
    skos:definition "A grouping class that classifies materials" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:MolecularComponentGroupingClass a owl:Class ;
    rdfs:label "MolecularComponentGroupingClass" ;
    dcterms:title "molecular component grouping class" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:classifies ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:subtype_of ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:MolecularComponent ;
            owl:onProperty chemrof:classifies ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:classifies ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:MolecularComponentGroupingClass ;
            owl:onProperty chemrof:subtype_of ],
        chemrof:ChemicalGroupingClass ;
    skos:definition "A grouping class that classifies molecular components. Example: inorganic anion group" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:MoleculePairwiseSimilarity a owl:Class ;
    rdfs:label "MoleculePairwiseSimilarity" ;
    dcterms:title "molecule pairwise similarity" ;
    rdfs:seeAlso Wikipedia:Chemical_similarity ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:left_molecule ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:Molecule ;
            owl:onProperty chemrof:left_molecule ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:right_molecule ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:left_molecule ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:float ;
            owl:onProperty chemrof:score ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:right_molecule ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:score ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:Molecule ;
            owl:onProperty chemrof:right_molecule ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:score ],
        chemrof:ChemicalSimilarity ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:PolymerRepeatUnit a owl:Class ;
    rdfs:label "PolymerRepeatUnit" ;
    dcterms:title "polymer repeat unit" ;
    rdfs:seeAlso Wikipedia:Repeat_unit ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:repetition_of ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:float ;
            owl:onProperty chemrof:mass ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:mass ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:degree_of_polymerization ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:int ;
            owl:onProperty chemrof:degree_of_polymerization ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:Molecule ;
            owl:onProperty chemrof:repetition_of ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:mass ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:repetition_of ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:degree_of_polymerization ],
        chemrof:ChemicalRelationship ;
    skos:definition "An abstract part of a polymer that is all instances of a repeated monomer of a single type" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:ReactionGroupingClass a owl:Class ;
    rdfs:label "ReactionGroupingClass" ;
    dcterms:title "reaction grouping class" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:classifies ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:classifies ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:Reaction ;
            owl:onProperty chemrof:classifies ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:subtype_of ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:ReactionGroupingClass ;
            owl:onProperty chemrof:subtype_of ],
        chemrof:GroupingClass ;
    skos:definition "A grouping class for reactions, for example, dehalogenase; breaking of covalent bond" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:classification_relationship a owl:DatatypeProperty ;
    rdfs:label "classification_relationship" ;
    dcterms:title "classification relationship" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:classified_by a owl:ObjectProperty ;
    rdfs:label "classified_by" ;
    dcterms:title "classified by" ;
    rdfs:domain chemrof:OwlClass ;
    rdfs:range chemrof:OwlClass ;
    rdfs:subPropertyOf chemrof:chemical_to_chemical_relationship,
        chemrof:owl_subclass_of ;
    skos:definition "A subtype_of relationship holds between I and C if I is a specific entity of type C. Here I and C denotes instances of OWL classes, where I is a specific class and C is a grouping class" ;
    skos:exactMatch rdf:type ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:diastereoisomers_of a owl:DatatypeProperty ;
    rdfs:label "diastereoisomers_of" ;
    dcterms:title "diastereoisomers of" ;
    rdfs:subPropertyOf chemrof:stereoisomer_of ;
    skos:altLabel "diastereomers of" ;
    skos:definition "A stereoisomer non-mirror image non-identical stereoisomers" ;
    skos:inScheme <https://w3id.org/chemrof> ;
    skos:note "Diastereomers differ from enantiomers in that the latter are pairs of stereoisomers that differ in all stereocenters and are therefore mirror images of one another" .

chemrof:has_higher_charge_from a owl:DatatypeProperty ;
    rdfs:label "has_higher_charge_from" ;
    dcterms:title "has higher charge from" ;
    rdfs:subPropertyOf chemrof:has_different_charge_state_from ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:has_lower_charge_from a owl:DatatypeProperty ;
    rdfs:label "has_lower_charge_from" ;
    dcterms:title "has lower charge from" ;
    rdfs:subPropertyOf chemrof:has_different_charge_state_from ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:major_microspecies_at_pH7_3_of a owl:DatatypeProperty ;
    rdfs:label "major_microspecies_at_pH7_3_of" ;
    rdfs:subPropertyOf chemrof:acid_form_of ;
    owl:inverseOf chemrof:has_major_microspecies_at_pH7_3 ;
    skos:definition "The subject of this link is the most common protonation state for this chemical at a pH of 7.3. The      link may point to it's source." ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:variant_reaction_of a owl:ObjectProperty ;
    rdfs:label "variant_reaction_of" ;
    dcterms:title "variant reaction of" ;
    rdfs:domain chemrof:Reaction ;
    rdfs:range chemrof:Reaction ;
    skos:inScheme <https://w3id.org/chemrof> .

CHEBI:10545 a owl:Class ;
    rdfs:label "electron" ;
    rdfs:subClassOf chemrof:SubatomicParticleEnum,
        linkml:PermissibleValue ;
    skos:definition "Elementary particle not affected by the strong force having a spin 1/2, a negative elementary charge and a rest mass of 0.000548579903(13) u, or 0.51099906(15) MeV." .

CHEBI:146278 a owl:Class ;
    rdfs:label "Higgs boson" ;
    rdfs:subClassOf chemrof:SubatomicParticleEnum,
        linkml:PermissibleValue ;
    skos:definition "A boson that is its own antiparticle, has no spin, zero electric charge and zero colour charge." .

CHEBI:15378 a owl:Class ;
    rdfs:label "hydron" ;
    rdfs:subClassOf chemrof:SubatomicParticleEnum,
        linkml:PermissibleValue ;
    skos:definition "The general name for the hydrogen nucleus, to be used without regard to the hydrogen nuclear mass (either for hydrogen in its natural abundance or where it is not desired to distinguish between the isotopes)." .

CHEBI:18059 a owl:Class ;
    rdfs:label "lipid" ;
    rdfs:subClassOf chemrof:MoleculeClassificationEnum,
        linkml:PermissibleValue .

CHEBI:24636 a owl:Class ;
    rdfs:label "proton" ;
    rdfs:subClassOf chemrof:SubatomicParticleEnum,
        linkml:PermissibleValue ;
    skos:definition "Nuclear particle of charge number +1, spin 1/2 and rest mass of 1.007276470(12) u." .

CHEBI:29233 a owl:Class ;
    rdfs:label "deuteron" ;
    rdfs:subClassOf chemrof:SubatomicParticleEnum,
        linkml:PermissibleValue ;
    skos:definition "Nucleus of the (2)H atom." .

CHEBI:29234 a owl:Class ;
    rdfs:label "triton" ;
    rdfs:subClassOf chemrof:SubatomicParticleEnum,
        linkml:PermissibleValue ;
    skos:definition "Nucleus of the (3)H atom." .

CHEBI:30212 a owl:Class ;
    rdfs:label "photon" ;
    rdfs:subClassOf chemrof:SubatomicParticleEnum,
        linkml:PermissibleValue ;
    skos:definition "Particle of zero charge, zero rest mass, spin quantum number 1, energy hnu and momentum hnu/c (h is the Planck constant, nu the frequency of radiation and c the speed of light), carrier of electromagnetic force." .

CHEBI:30214 a owl:Class ;
    rdfs:label "antimuon" ;
    rdfs:subClassOf chemrof:SubatomicParticleEnum,
        linkml:PermissibleValue ;
    skos:definition "Elementary particle not affected by the strong force having a spin 1/2, a positive elementary charge and a rest mass of 0.113428913(17) u, or 105.658389(34) MeV." .

CHEBI:30216 a owl:Class ;
    rdfs:label "alpha particle" ;
    rdfs:subClassOf chemrof:SubatomicParticleEnum,
        linkml:PermissibleValue ;
    skos:definition "Nucleus of the (4)He atom." .

CHEBI:30220 a owl:Class ;
    rdfs:label "helion" ;
    rdfs:subClassOf chemrof:SubatomicParticleEnum,
        linkml:PermissibleValue ;
    skos:definition "Nucleus of the (3)He atom." .

CHEBI:30222 a owl:Class ;
    rdfs:label "neutron" ;
    rdfs:subClassOf chemrof:SubatomicParticleEnum,
        linkml:PermissibleValue ;
    skos:definition "Nuclear particle of zero charge, spin 1/2 and rest mass of 1.008664904(14) u." .

CHEBI:30223 a owl:Class ;
    rdfs:label "electron neutrino" ;
    rdfs:subClassOf chemrof:SubatomicParticleEnum,
        linkml:PermissibleValue .

CHEBI:30225 a owl:Class ;
    rdfs:label "positron" ;
    rdfs:subClassOf chemrof:SubatomicParticleEnum,
        linkml:PermissibleValue ;
    skos:definition "Elementary particle not affected by the strong force having a spin 1/2, a positive elementary charge and a rest mass of 0.000548579903(13) u, or 0.51099906(15) MeV." .

CHEBI:33233 a owl:Class ;
    rdfs:label "fundamental particle" ;
    rdfs:subClassOf chemrof:SubatomicParticleEnum,
        linkml:PermissibleValue ;
    skos:definition "A particle not known to have substructure." .

CHEBI:33253 a owl:Class ;
    rdfs:label "nucleon" ;
    rdfs:subClassOf chemrof:SubatomicParticleEnum,
        linkml:PermissibleValue ;
    skos:definition "Heavy nuclear particle: proton or neutron." .

CHEBI:33561 a owl:Class ;
    rdfs:label "d-block" ;
    rdfs:subClassOf chemrof:PeriodicTableBlockEnum,
        linkml:PermissibleValue .

CHEBI:33562 a owl:Class ;
    rdfs:label "f-block" ;
    rdfs:subClassOf chemrof:PeriodicTableBlockEnum,
        linkml:PermissibleValue .

CHEBI:33674 a owl:Class ;
    rdfs:label "s-block" ;
    rdfs:subClassOf chemrof:PeriodicTableBlockEnum,
        linkml:PermissibleValue .

CHEBI:33675 a owl:Class ;
    rdfs:label "p-block" ;
    rdfs:subClassOf chemrof:PeriodicTableBlockEnum,
        linkml:PermissibleValue .

CHEBI:35701 a owl:Class ;
    rdfs:label "ester" ;
    rdfs:subClassOf chemrof:MoleculeClassificationEnum,
        linkml:PermissibleValue .

CHEBI:36338 a owl:Class ;
    rdfs:label "lepton" ;
    rdfs:subClassOf chemrof:SubatomicParticleEnum,
        linkml:PermissibleValue ;
    skos:definition "Lepton is a fermion that does not experience the strong force (strong interaction). The term is derived from the Greek lambdaepsilonpitauomicronsigma (small, thin)." .

CHEBI:36339 a owl:Class ;
    rdfs:label "baryon" ;
    rdfs:subClassOf chemrof:SubatomicParticleEnum,
        linkml:PermissibleValue ;
    skos:definition "Baryon is a fermion that does experience the strong force (strong interaction). The term is derived from the Greek betaalpharhoupsilonsigma (heavy)." .

CHEBI:36340 a owl:Class ;
    rdfs:label "fermion" ;
    rdfs:subClassOf chemrof:SubatomicParticleEnum,
        linkml:PermissibleValue ;
    skos:definition "Particle of half-integer spin quantum number following Fermi-Dirac statistics. Fermions are named after Enrico Fermi." .

CHEBI:36341 a owl:Class ;
    rdfs:label "boson" ;
    rdfs:subClassOf chemrof:SubatomicParticleEnum,
        linkml:PermissibleValue ;
    skos:definition "Particle of integer spin quantum number following Bose-Einstein statistics. Bosons are named after Satyendra Nath Bose." .

CHEBI:36343 a owl:Class ;
    rdfs:label "composite particle" ;
    rdfs:subClassOf chemrof:SubatomicParticleEnum,
        linkml:PermissibleValue ;
    skos:definition "A subatomic particle known to have substructure (i.e. consisting of smaller particles)." .

CHEBI:36344 a owl:Class ;
    rdfs:label "hadron" ;
    rdfs:subClassOf chemrof:SubatomicParticleEnum,
        linkml:PermissibleValue ;
    skos:definition "Hadron is a subatomic particle which experiences the strong force." .

CHEBI:36345 a owl:Class ;
    rdfs:label "meson" ;
    rdfs:subClassOf chemrof:SubatomicParticleEnum,
        linkml:PermissibleValue ;
    skos:definition "A hadron with zero or integer spin; a strongly interacting boson. The term is derived from the Greek muepsilonsigmaomicronsigma (medium, middle)." .

CHEBI:36346 a owl:Class ;
    rdfs:label "quark" ;
    rdfs:subClassOf chemrof:SubatomicParticleEnum,
        linkml:PermissibleValue ;
    skos:definition "Quarks comprise one of two classes of the fundamental particles. Quarks possess fractional electric charges and are not observed in free state." .

CHEBI:36347 a owl:Class ;
    rdfs:label "nuclear particle" ;
    rdfs:subClassOf chemrof:SubatomicParticleEnum,
        linkml:PermissibleValue ;
    skos:definition "A nucleus or any of its constituents in any of their energy states." .

CHEBI:36348 a owl:Class ;
    rdfs:label "pi meson" ;
    rdfs:subClassOf chemrof:SubatomicParticleEnum,
        linkml:PermissibleValue ;
    skos:definition "The collective name for zero-spin mesons pi(+), pi(-) and pi(0)." .

CHEBI:36349 a owl:Class ;
    rdfs:label "pi positive meson" ;
    rdfs:subClassOf chemrof:SubatomicParticleEnum,
        linkml:PermissibleValue ;
    skos:definition "A subatomic particle of charge number +1, zero spin and rest mass of 0.1498323(8) u, or 139.5679(7) MeV." .

CHEBI:36350 a owl:Class ;
    rdfs:label "pi minus meson" ;
    rdfs:subClassOf chemrof:SubatomicParticleEnum,
        linkml:PermissibleValue ;
    skos:definition "A subatomic particle of charge number -1, zero spin and rest mass of 0.1498323(8) u, or 139.5679(7) MeV." .

CHEBI:36351 a owl:Class ;
    rdfs:label "pi zero meson" ;
    rdfs:subClassOf chemrof:SubatomicParticleEnum,
        linkml:PermissibleValue ;
    skos:definition "A subatomic particle of zero charge, zero spin and rest mass of 0.1449008(9) u, or 134.9743(8) MeV." .

CHEBI:36352 a owl:Class ;
    rdfs:label "neutrino" ;
    rdfs:subClassOf chemrof:SubatomicParticleEnum,
        linkml:PermissibleValue ;
    skos:definition "An elementary particle of spin 1/2, zero electric charge and negligible rest mass. Three known types (flavors) of neutrino are electron neutrino, muon neutrino and tau neutrino, named after their charged partner leptons." .

CHEBI:36353 a owl:Class ;
    rdfs:label "muon neutrino" ;
    rdfs:subClassOf chemrof:SubatomicParticleEnum,
        linkml:PermissibleValue .

CHEBI:36354 a owl:Class ;
    rdfs:label "tau neutrino" ;
    rdfs:subClassOf chemrof:SubatomicParticleEnum,
        linkml:PermissibleValue .

CHEBI:36355 a owl:Class ;
    rdfs:label "tau lepton" ;
    rdfs:subClassOf chemrof:SubatomicParticleEnum,
        linkml:PermissibleValue ;
    skos:definition "Elementary particle not affected by the strong force having a spin 1/2, a negative elementary charge and a rest mass of 1777.05 MeV." .

CHEBI:36356 a owl:Class ;
    rdfs:label "muon" ;
    rdfs:subClassOf chemrof:SubatomicParticleEnum,
        linkml:PermissibleValue ;
    skos:definition "Elementary particle not affected by the strong force having a spin 1/2, a negative elementary charge and a rest mass of 0.113428913(17) u, or 105.658389(34) MeV." .

CHEBI:36365 a owl:Class ;
    rdfs:label "hyperon" ;
    rdfs:subClassOf chemrof:SubatomicParticleEnum,
        linkml:PermissibleValue ;
    skos:definition "A baryon which contain one or more strange quarks. Hyperons are short-lived and heavier than nucleons." .

CHEBI:36366 a owl:Class ;
    rdfs:label "up quark" ;
    rdfs:subClassOf chemrof:SubatomicParticleEnum,
        linkml:PermissibleValue ;
    skos:definition "A first-generation quark with a charge of +2/3. The up and down quarks are the fundamental constituents of the nucleons." .

CHEBI:36367 a owl:Class ;
    rdfs:label "down quark" ;
    rdfs:subClassOf chemrof:SubatomicParticleEnum,
        linkml:PermissibleValue ;
    skos:definition "A first-generation quark with a charge of -1/3. The up and down quarks are the fundamental constituents of the nucleons." .

CHEBI:36368 a owl:Class ;
    rdfs:label "strange quark" ;
    rdfs:subClassOf chemrof:SubatomicParticleEnum,
        linkml:PermissibleValue ;
    skos:definition "A second-generation quark with a charge of -1/3 and a strangeness of -1." .

CHEBI:36369 a owl:Class ;
    rdfs:label "charm quark" ;
    rdfs:subClassOf chemrof:SubatomicParticleEnum,
        linkml:PermissibleValue ;
    skos:definition "A second-generation quark with a charge of +2/3." .

CHEBI:36370 a owl:Class ;
    rdfs:label "bottom quark" ;
    rdfs:subClassOf chemrof:SubatomicParticleEnum,
        linkml:PermissibleValue ;
    skos:definition "A third-generation quark with a charge of -1/3." .

CHEBI:36371 a owl:Class ;
    rdfs:label "top quark" ;
    rdfs:subClassOf chemrof:SubatomicParticleEnum,
        linkml:PermissibleValue ;
    skos:definition "A third-generation quark with a charge of +2/3." .

CHEBI:36375 a owl:Class ;
    rdfs:label "Delta baryon" ;
    rdfs:subClassOf chemrof:SubatomicParticleEnum,
        linkml:PermissibleValue .

CHEBI:50796 a owl:Class ;
    rdfs:label "nanotube" ;
    rdfs:subClassOf chemrof:NanostructureMorphologyEnum,
        linkml:PermissibleValue .

CHEBI:50803 a owl:Class ;
    rdfs:label "nanoparticle" ;
    rdfs:subClassOf chemrof:NanostructureMorphologyEnum,
        linkml:PermissibleValue .

CHEBI:50805 a owl:Class ;
    rdfs:label "nanorod" ;
    rdfs:subClassOf chemrof:NanostructureMorphologyEnum,
        linkml:PermissibleValue .

CHEBI:50806 a owl:Class ;
    rdfs:label "nanotubosome" ;
    rdfs:subClassOf chemrof:NanostructureMorphologyEnum,
        linkml:PermissibleValue .

CHEBI:50853 a owl:Class ;
    rdfs:label "quantum dot" ;
    rdfs:subClassOf chemrof:NanostructureMorphologyEnum,
        linkml:PermissibleValue .

CHEBI:52518 a owl:Class ;
    rdfs:label "nanofibre" ;
    rdfs:subClassOf chemrof:NanostructureMorphologyEnum,
        linkml:PermissibleValue .

CHEBI:52529 a owl:Class ;
    rdfs:label "nanocrystal" ;
    rdfs:subClassOf chemrof:NanostructureMorphologyEnum,
        linkml:PermissibleValue .

CHEBI:52530 a owl:Class ;
    rdfs:label "nanoribbon" ;
    rdfs:subClassOf chemrof:NanostructureMorphologyEnum,
        linkml:PermissibleValue .

CHEBI:52531 a owl:Class ;
    rdfs:label "nanosheet" ;
    rdfs:subClassOf chemrof:NanostructureMorphologyEnum,
        linkml:PermissibleValue .

CHEBI:52593 a owl:Class ;
    rdfs:label "nanowire" ;
    rdfs:subClassOf chemrof:NanostructureMorphologyEnum,
        linkml:PermissibleValue .

MOP:0000627 a owl:Class ;
    rdfs:label "condensation" ;
    rdfs:subClassOf chemrof:ReactionTypeEnum,
        <https://w3id.org/chemrof/ReactionTypeEnum#bond_formation> ;
    skos:definition "A reaction in which two or more reactants yield a single main product with accompanying formation of a small molecule" .

RXNO:0000005 a owl:Class ;
    rdfs:label "cyclization" ;
    rdfs:subClassOf chemrof:ReactionTypeEnum,
        <https://w3id.org/chemrof/ReactionTypeEnum#bond_formation> ;
    skos:definition "Formation of cyclic structures from linear precursors" .

RXNO:0000012 a owl:Class ;
    rdfs:label "oxidation" ;
    rdfs:subClassOf RXNO:0000057,
        chemrof:ReactionTypeEnum ;
    skos:definition "A functional group modification reaction where a functional group is oxidised" .

RXNO:0000016 a owl:Class ;
    rdfs:label "acylation" ;
    rdfs:subClassOf chemrof:ReactionTypeEnum,
        <https://w3id.org/chemrof/ReactionTypeEnum#bond_formation> ;
    skos:definition "Formation of an acyl group bond, typically involving carboxylic acid derivatives" .

RXNO:0000018 a owl:Class ;
    rdfs:label "carbon_carbon_bond_formation" ;
    rdfs:subClassOf chemrof:ReactionTypeEnum,
        <https://w3id.org/chemrof/ReactionTypeEnum#bond_formation> ;
    skos:definition "Reactions that form new carbon-carbon bonds" .

RXNO:0000019 a owl:Class ;
    rdfs:label "heteroatom_alkylation_arylation" ;
    rdfs:subClassOf chemrof:ReactionTypeEnum,
        <https://w3id.org/chemrof/ReactionTypeEnum#bond_formation> ;
    skos:definition "Alkylation or arylation of heteroatoms such as nitrogen, oxygen, or sulfur" .

RXNO:0000025 a owl:Class ;
    rdfs:label "isomerization" ;
    rdfs:subClassOf chemrof:ReactionTypeEnum,
        linkml:PermissibleValue ;
    skos:definition "Rearrangement reactions that convert one isomer to another" .

RXNO:0000037 a owl:Class ;
    rdfs:label "reduction" ;
    rdfs:subClassOf RXNO:0000057,
        chemrof:ReactionTypeEnum ;
    skos:definition "A functional group modification reaction where a functional group is reduced" .

RXNO:0000041 a owl:Class ;
    rdfs:label "addition" ;
    rdfs:subClassOf chemrof:ReactionTypeEnum,
        <https://w3id.org/chemrof/ReactionTypeEnum#bond_formation> ;
    skos:definition "Reactions that add atoms or groups across multiple bonds" .

RXNO:0000331 a owl:Class ;
    rdfs:label "substitution" ;
    rdfs:subClassOf chemrof:ReactionTypeEnum,
        linkml:PermissibleValue ;
    skos:definition "A reaction step where one atom or group is replaced with another" .

RXNO:0000619 a owl:Class ;
    rdfs:label "hydrolysis" ;
    rdfs:subClassOf chemrof:ReactionTypeEnum,
        <https://w3id.org/chemrof/ReactionTypeEnum#bond_breaking> ;
    skos:definition "A solvolysis reaction where the solvent material is water" .

RXNO:0000656 a owl:Class ;
    rdfs:label "elimination" ;
    rdfs:subClassOf chemrof:ReactionTypeEnum,
        <https://w3id.org/chemrof/ReactionTypeEnum#bond_breaking> ;
    skos:definition "A molecular process where two groups are lost with concomitant formation of an unsaturation in the molecule or formation of a new ring" .

gc:AromaticBond a owl:Class ;
    rdfs:label "aromatic" ;
    rdfs:subClassOf chemrof:BondTypeEnum,
        linkml:PermissibleValue .

gc:Double a owl:Class ;
    rdfs:label "double" ;
    rdfs:subClassOf chemrof:BondTypeEnum,
        linkml:PermissibleValue .

gc:HydrogenBond a owl:Class ;
    rdfs:label "hydrogen" ;
    rdfs:subClassOf chemrof:BondTypeEnum,
        linkml:PermissibleValue .

gc:NormalBond a owl:Class ;
    rdfs:label "covalent" ;
    rdfs:subClassOf chemrof:BondTypeEnum,
        linkml:PermissibleValue ;
    skos:definition "A covalent bond is a chemical bond that involves the sharing of pairs of electrons between atoms. This sharing results in a stable balance of attractive and repulsive forces between those atoms." .

gc:Quadruple a owl:Class ;
    rdfs:label "quadruple" ;
    rdfs:subClassOf chemrof:BondTypeEnum,
        linkml:PermissibleValue .

gc:Single a owl:Class ;
    rdfs:label "single" ;
    rdfs:subClassOf chemrof:BondTypeEnum,
        linkml:PermissibleValue .

gc:Triple a owl:Class ;
    rdfs:label "triple" ;
    rdfs:subClassOf chemrof:BondTypeEnum,
        linkml:PermissibleValue .

damlpt:Metallic a owl:Class ;
    rdfs:label "Metallic" ;
    rdfs:subClassOf chemrof:ElementMetallicClassification,
        linkml:PermissibleValue .

damlpt:Non-Metallic a owl:Class ;
    rdfs:label "Non-Metallic" ;
    rdfs:subClassOf chemrof:ElementMetallicClassification,
        linkml:PermissibleValue .

damlpt:Semi-Metallic a owl:Class ;
    rdfs:label "Semi-Metallic" ;
    rdfs:subClassOf chemrof:ElementMetallicClassification,
        linkml:PermissibleValue .

chemrof:AminoAcidSequenceInterval a owl:Class ;
    rdfs:label "AminoAcidSequenceInterval" ;
    dcterms:title "amino acid sequence interval" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:allValuesFrom xsd:string ;
            owl:onProperty chemrof:has_sequence_representation ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:has_sequence_representation ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:has_sequence_representation ],
        chemrof:SequenceInterval ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:AtomAnion a owl:Class ;
    rdfs:label "AtomAnion" ;
    dcterms:title "atom anion" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:elemental_charge ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:elemental_charge ],
        [ a owl:Restriction ;
            owl:onProperty linkml:mixins ;
            owl:someValuesFrom chemrof:AnionState ],
        [ a owl:Restriction ;
            owl:allValuesFrom [ a rdfs:Datatype ;
                    owl:onDatatype xsd:integer ;
                    owl:withRestrictions ( [ xsd:maxInclusive -1 ] ) ] ;
            owl:onProperty chemrof:elemental_charge ],
        chemrof:MonoatomicIon ;
    skos:definition "A monoatomic ion that is negative" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:AtomCation a owl:Class ;
    rdfs:label "AtomCation" ;
    dcterms:title "atom cation" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:allValuesFrom [ a rdfs:Datatype ;
                    owl:onDatatype xsd:integer ;
                    owl:withRestrictions ( [ xsd:minInclusive 1 ] ) ] ;
            owl:onProperty chemrof:elemental_charge ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:elemental_charge ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:elemental_charge ],
        [ a owl:Restriction ;
            owl:onProperty linkml:mixins ;
            owl:someValuesFrom chemrof:CationState ],
        chemrof:MonoatomicIon ;
    skos:definition "A monoatomic ion that is positive, e.g Cu(2+)" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:AtomGroupingByPeriodicTablePlacement a owl:Class ;
    rdfs:label "AtomGroupingByPeriodicTablePlacement" ;
    dcterms:title "atom grouping by periodic table placement" ;
    rdfs:subClassOf chemrof:AtomGroupingClass ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:AtomGroupingClass a owl:Class ;
    rdfs:label "AtomGroupingClass" ;
    dcterms:title "atom grouping class" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:subtype_of ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:classifies ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:classifies ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:MoleculeGroupingClass ;
            owl:onProperty chemrof:subtype_of ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:Atom ;
            owl:onProperty chemrof:classifies ],
        chemrof:ChemicalGroupingClass ;
    skos:definition "A grouping class that classifies atoms. For example, metal atom" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:AtomicBond a owl:Class ;
    rdfs:label "AtomicBond" ;
    dcterms:title "atomic bond" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:allValuesFrom chemrof:BondTypeEnum ;
            owl:onProperty chemrof:bond_type ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:bond_angle ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:bond_energy ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:bond_length_in_angstroms ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:torsional_angle ],
        [ a owl:Restriction ;
            owl:onProperty linkml:mixins ;
            owl:someValuesFrom chemrof:OwlClass ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:object ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:float ;
            owl:onProperty chemrof:bond_angle ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:float ;
            owl:onProperty chemrof:torsional_angle ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:AtomOccurrence ;
            owl:onProperty chemrof:object ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:bond_order ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:bond_type ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:float ;
            owl:onProperty chemrof:bond_energy ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:bond_energy ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:bond_type ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:integer ;
            owl:onProperty chemrof:bond_order ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:bond_order ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:object ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:subject ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:subject ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:torsional_angle ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:float ;
            owl:onProperty chemrof:bond_length_in_angstroms ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:bond_length ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:bond_length ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:bond_length_in_angstroms ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:bond_angle ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:AtomOccurrence ;
            owl:onProperty chemrof:subject ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:float ;
            owl:onProperty chemrof:bond_length ],
        chemrof:ChemicalRelationship ;
    skos:altLabel "bond",
        "chemical bond" ;
    skos:definition "A connection between two atoms. Note this is the reified form of 'atomically connected to'. " ;
    skos:exactMatch gc:Bond ;
    skos:inScheme <https://w3id.org/chemrof> ;
    skos:mappingRelation CHEMINF:000063 .

<https://w3id.org/chemrof/BondTypeEnum#ionic> a owl:Class ;
    rdfs:label "ionic" ;
    rdfs:subClassOf chemrof:BondTypeEnum,
        linkml:PermissibleValue .

<https://w3id.org/chemrof/BondTypeEnum#metal-metal> a owl:Class ;
    rdfs:label "metal-metal" ;
    rdfs:subClassOf chemrof:BondTypeEnum,
        linkml:PermissibleValue .

<https://w3id.org/chemrof/BondTypeEnum#polar%20covalent> a owl:Class ;
    rdfs:label "polar covalent" ;
    rdfs:subClassOf chemrof:BondTypeEnum,
        linkml:PermissibleValue .

<https://w3id.org/chemrof/BondTypeEnum#polycentric> a owl:Class ;
    rdfs:label "polycentric" ;
    rdfs:subClassOf chemrof:BondTypeEnum,
        linkml:PermissibleValue .

<https://w3id.org/chemrof/BondTypeEnum#salt%20bridge> a owl:Class ;
    rdfs:label "salt bridge" ;
    rdfs:subClassOf chemrof:BondTypeEnum,
        linkml:PermissibleValue .

<https://w3id.org/chemrof/BondTypeEnum#sigma> a owl:Class ;
    rdfs:label "sigma" ;
    rdfs:subClassOf chemrof:BondTypeEnum,
        linkml:PermissibleValue .

<https://w3id.org/chemrof/BronstedAcidBaseRoleEnum#acid> a owl:Class ;
    rdfs:label "acid" ;
    rdfs:subClassOf chemrof:BronstedAcidBaseRoleEnum,
        linkml:PermissibleValue ;
    skos:definition "CHEBI:39141" .

<https://w3id.org/chemrof/BronstedAcidBaseRoleEnum#base> a owl:Class ;
    rdfs:label "base" ;
    rdfs:subClassOf chemrof:BronstedAcidBaseRoleEnum,
        linkml:PermissibleValue ;
    skos:definition "CHEBI:39142" .

chemrof:ChemicalEntityOrGrouping a owl:Class ;
    rdfs:label "ChemicalEntityOrGrouping" ;
    dcterms:title "chemical entity or grouping" ;
    rdfs:subClassOf <https://w3id.org/linkml/ClassDefinition#Mixin> ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:ChemicalInformation a owl:Class ;
    rdfs:label "ChemicalInformation" ;
    dcterms:title "chemical information" ;
    rdfs:subClassOf linkml:ClassDefinition ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:ChemicalRole a owl:Class ;
    rdfs:label "ChemicalRole" ;
    dcterms:title "chemical role" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:onProperty linkml:mixins ;
            owl:someValuesFrom chemrof:OwlClass ],
        linkml:ClassDefinition ;
    skos:altLabel "role" ;
    skos:definition "A characteristic of a chemical entity that is realized under particular conditions" ;
    skos:exactMatch BFO:0000017,
        CHEBI:50906,
        SIO:000016 ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:ChemicalSaltGroupingClass a owl:Class ;
    rdfs:label "ChemicalSaltGroupingClass" ;
    dcterms:title "chemical salt grouping class" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:has_anionic_component ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:ChemicalSalt ;
            owl:onProperty chemrof:classifies ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:has_cationic_component ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:string ;
            owl:onProperty chemrof:has_cationic_component ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:has_cationic_component ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:string ;
            owl:onProperty chemrof:name ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:name ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:classifies ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:classifies ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:has_anionic_component ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:name ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:string ;
            owl:onProperty chemrof:has_anionic_component ],
        chemrof:MoleculeGroupingClass ;
    skos:definition "A grouping class for a chemical salt" ;
    skos:inScheme <https://w3id.org/chemrof> .

<https://w3id.org/chemrof/ClassificationLevelEnum#Category> a owl:Class ;
    rdfs:label "Category" ;
    rdfs:subClassOf chemrof:ClassificationLevelEnum,
        linkml:PermissibleValue .

<https://w3id.org/chemrof/ClassificationLevelEnum#Class> a owl:Class ;
    rdfs:label "Class" ;
    rdfs:subClassOf chemrof:ClassificationLevelEnum,
        linkml:PermissibleValue .

<https://w3id.org/chemrof/ClassificationLevelEnum#IsomericSubspecies> a owl:Class ;
    rdfs:label "IsomericSubspecies" ;
    rdfs:subClassOf chemrof:ClassificationLevelEnum,
        <https://w3id.org/chemrof/ClassificationLevelEnum#Subspecies> .

<https://w3id.org/chemrof/ClassificationLevelEnum#MolecularSubspecies> a owl:Class ;
    rdfs:label "MolecularSubspecies" ;
    rdfs:subClassOf chemrof:ClassificationLevelEnum,
        <https://w3id.org/chemrof/ClassificationLevelEnum#Subspecies> .

<https://w3id.org/chemrof/ClassificationLevelEnum#Species> a owl:Class ;
    rdfs:label "Species" ;
    rdfs:subClassOf chemrof:ClassificationLevelEnum,
        linkml:PermissibleValue .

<https://w3id.org/chemrof/ClassificationLevelEnum#StructuralSubspecies> a owl:Class ;
    rdfs:label "StructuralSubspecies" ;
    rdfs:subClassOf chemrof:ClassificationLevelEnum,
        <https://w3id.org/chemrof/ClassificationLevelEnum#Subspecies> .

<https://w3id.org/chemrof/ClassificationLevelEnum#Uncategorized> a owl:Class ;
    rdfs:label "Uncategorized" ;
    rdfs:subClassOf chemrof:ClassificationLevelEnum,
        linkml:PermissibleValue .

chemrof:Copolymer a owl:Class ;
    rdfs:label "Copolymer" ;
    dcterms:title "copolymer" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:polymer_of ],
        [ a owl:Restriction ;
            owl:allValuesFrom owl:Thing ;
            owl:onProperty chemrof:polymer_of ],
        chemrof:MonomolecularPolymer ;
    skos:altLabel "heteropolymer" ;
    skos:definition "a polymer with a more than one type of repeating unit" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:DNASequenceInterval a owl:Class ;
    rdfs:label "DNASequenceInterval" ;
    dcterms:title "DNA sequence interval" ;
    rdfs:subClassOf chemrof:NucleotideSequenceInterval ;
    skos:inScheme <https://w3id.org/chemrof> .

<https://w3id.org/chemrof/ElementFamilyEnum#Alkali_Earth> a owl:Class ;
    rdfs:label "Alkali_Earth" ;
    rdfs:subClassOf chemrof:ElementFamilyEnum,
        linkml:PermissibleValue .

<https://w3id.org/chemrof/ElementFamilyEnum#Alkaline_Earth> a owl:Class ;
    rdfs:label "Alkaline_Earth" ;
    rdfs:subClassOf chemrof:ElementFamilyEnum,
        linkml:PermissibleValue .

<https://w3id.org/chemrof/ElementFamilyEnum#Halogen> a owl:Class ;
    rdfs:label "Halogen" ;
    rdfs:subClassOf chemrof:ElementFamilyEnum,
        linkml:PermissibleValue .

<https://w3id.org/chemrof/ElementFamilyEnum#Metalloids> a owl:Class ;
    rdfs:label "Metalloids" ;
    rdfs:subClassOf chemrof:ElementFamilyEnum,
        linkml:PermissibleValue .

<https://w3id.org/chemrof/ElementFamilyEnum#Noblegas> a owl:Class ;
    rdfs:label "Noblegas" ;
    rdfs:subClassOf chemrof:ElementFamilyEnum,
        linkml:PermissibleValue .

<https://w3id.org/chemrof/ElementFamilyEnum#Non-Metal> a owl:Class ;
    rdfs:label "Non-Metal" ;
    rdfs:subClassOf chemrof:ElementFamilyEnum,
        linkml:PermissibleValue .

<https://w3id.org/chemrof/ElementFamilyEnum#Other_Metal> a owl:Class ;
    rdfs:label "Other_Metal" ;
    rdfs:subClassOf chemrof:ElementFamilyEnum,
        linkml:PermissibleValue .

<https://w3id.org/chemrof/ElementFamilyEnum#Rare_Earth> a owl:Class ;
    rdfs:label "Rare_Earth" ;
    rdfs:subClassOf chemrof:ElementFamilyEnum,
        linkml:PermissibleValue .

<https://w3id.org/chemrof/ElementFamilyEnum#Transition> a owl:Class ;
    rdfs:label "Transition" ;
    rdfs:subClassOf chemrof:ElementFamilyEnum,
        linkml:PermissibleValue .

chemrof:Ester a owl:Class ;
    rdfs:label "Ester" ;
    dcterms:title "ester" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:has_parent_alcohol ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:MoleculeByChargeState ;
            owl:onProperty chemrof:has_parent_acid ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:has_parent_acid ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:ChemicalEntity ;
            owl:onProperty chemrof:has_parent_alcohol ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:has_parent_alcohol ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:has_parent_acid ],
        chemrof:Molecule ;
    skos:definition "An ester is a chemical compound derived from an acid (organic or inorganic) in which at least one –OH hydroxyl group is replaced by an –O– alkyl (alkoxy) group" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:FullyCovalentlyBonded a owl:Class ;
    rdfs:label "FullyCovalentlyBonded" ;
    dcterms:title "fully covalently bonded" ;
    rdfs:subClassOf chemrof:Connectivity ;
    skos:definition "All pairs of atoms in this entity are transitively connected via covalent bonds" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:FullySpecifiedAtom a owl:Class ;
    rdfs:label "FullySpecifiedAtom" ;
    dcterms:title "fully specified atom" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:neutron_number ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:neutron_number ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:int ;
            owl:onProperty chemrof:neutron_number ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:integer ;
            owl:onProperty chemrof:elemental_charge ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:elemental_charge ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:elemental_charge ],
        chemrof:Atom ;
    skos:altLabel "atomic species",
        "chemical species of an element" ;
    skos:definition "An atom type that has atomic number, charge, and neutron number stated (equivalently: protons + mass + charge)" ;
    skos:inScheme <https://w3id.org/chemrof> ;
    skos:note "chemical species of an element: Specific form of an element defined as to isotopic composition, electronic or oxidation state, and/or complex or molecular structure https://goldbook.iupac.org/terms/view/CT06859" .

chemrof:FunctionalGroup a owl:Class ;
    rdfs:label "FunctionalGroup" ;
    dcterms:title "functional group" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:allValuesFrom chemrof:Molecule ;
            owl:onProperty chemrof:is_substitutent_group_from ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:is_substitutent_group_from ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:is_substitutent_group_from ],
        chemrof:MolecularComponent ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:Glycan a owl:Class ;
    rdfs:label "Glycan" ;
    dcterms:title "glycan" ;
    rdfs:subClassOf chemrof:Macromolecule ;
    skos:altLabel "polysaccharides" ;
    skos:definition "A macromolecule consisting of a large number of monosaccharides linked glycosidically" ;
    skos:inScheme <https://w3id.org/chemrof> ;
    skos:note "Glycans composed of a single type of monosaccharide residue (homopolysaccharide, synonym homoglycan) are named by replacing the ending '-ose' of the sugar by '-an', e.g. mannans, fructans, xylans, arabinans" .

<https://w3id.org/chemrof/HardOrSoftEnum#borderline> a owl:Class ;
    rdfs:label "borderline" ;
    rdfs:subClassOf chemrof:HardOrSoftEnum,
        linkml:PermissibleValue .

<https://w3id.org/chemrof/HardOrSoftEnum#hard> a owl:Class ;
    rdfs:label "hard" ;
    rdfs:subClassOf chemrof:HardOrSoftEnum,
        linkml:PermissibleValue .

<https://w3id.org/chemrof/HardOrSoftEnum#soft> a owl:Class ;
    rdfs:label "soft" ;
    rdfs:subClassOf chemrof:HardOrSoftEnum,
        linkml:PermissibleValue .

chemrof:Homopolymer a owl:Class ;
    rdfs:label "Homopolymer" ;
    dcterms:title "homopolymer" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:allValuesFrom owl:Thing ;
            owl:onProperty chemrof:polymer_of ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:polymer_of ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:polymer_of ],
        chemrof:MonomolecularPolymer ;
    skos:definition "a polymer with a single type of repeating unit" ;
    skos:inScheme <https://w3id.org/chemrof> .

<https://w3id.org/chemrof/IngredientRoleEnum#active%20ingredient> a owl:Class ;
    rdfs:label "active ingredient" ;
    rdfs:subClassOf chemrof:IngredientRoleEnum,
        linkml:PermissibleValue .

<https://w3id.org/chemrof/IngredientRoleEnum#excipient> a owl:Class ;
    rdfs:label "excipient" ;
    rdfs:subClassOf chemrof:IngredientRoleEnum,
        linkml:PermissibleValue .

<https://w3id.org/chemrof/IngredientRoleEnum#inactive%20ingredient> a owl:Class ;
    rdfs:label "inactive ingredient" ;
    rdfs:subClassOf chemrof:IngredientRoleEnum,
        linkml:PermissibleValue .

<https://w3id.org/chemrof/IngredientRoleEnum#solvent> a owl:Class ;
    rdfs:label "solvent" ;
    rdfs:subClassOf chemrof:IngredientRoleEnum,
        linkml:PermissibleValue .

chemrof:Isobar a owl:Class ;
    rdfs:label "Isobar" ;
    dcterms:title "isobar" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:decay_energy ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:mode_of_formation ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:isobar_of ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:mode_of_formation ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:decay_mode ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:string ;
            owl:onProperty chemrof:decay_mode ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:int ;
            owl:onProperty chemrof:nucleon_number ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:nucleon_number ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:int ;
            owl:onProperty chemrof:half_life ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:ChemicalElement ;
            owl:onProperty chemrof:has_element ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:decay_product ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:decay_product ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:decay_mode ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:nucleon_number ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:half_life ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:string ;
            owl:onProperty chemrof:mode_of_formation ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:decay_energy ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:has_element ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:half_life ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:string ;
            owl:onProperty chemrof:decay_energy ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:has_element ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:Isotope ;
            owl:onProperty chemrof:decay_product ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:isobar_of ],
        [ a owl:Restriction ;
            owl:allValuesFrom owl:Thing ;
            owl:onProperty chemrof:isobar_of ],
        chemrof:Nuclide ;
    skos:definition "Isobars are atoms (nuclides) of different chemical elements that have the same number of nucleons." ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:IsomeraseReaction a owl:Class ;
    rdfs:label "IsomeraseReaction" ;
    dcterms:title "isomerase reaction" ;
    rdfs:subClassOf chemrof:Reaction ;
    skos:definition "A reaction that converts a molecule from one isomer to another." ;
    skos:inScheme <https://w3id.org/chemrof> ;
    skos:note "This class is deprecated. Use the reaction_type slot with value 'isomerization' instead." .

chemrof:Mineral a owl:Class ;
    rdfs:label "Mineral" ;
    dcterms:title "mineral" ;
    rdfs:subClassOf chemrof:Material ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:Moiety a owl:Class ;
    rdfs:label "Moiety" ;
    dcterms:title "moiety" ;
    rdfs:subClassOf chemrof:MolecularComponent ;
    skos:definition "a named part of a molecule. In some instances moieties may be composed of yet smaller moieties and functional groups" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:MolecularAnion a owl:Class ;
    rdfs:label "MolecularAnion" ;
    dcterms:title "molecular anion" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:onProperty linkml:mixins ;
            owl:someValuesFrom chemrof:AnionState ],
        chemrof:PolyatomicIon ;
    skos:definition "A polyatomic ion that is negative" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:MolecularCation a owl:Class ;
    rdfs:label "MolecularCation" ;
    dcterms:title "molecular cation" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:onProperty linkml:mixins ;
            owl:someValuesFrom chemrof:CationState ],
        chemrof:PolyatomicIon ;
    skos:definition "A polyatomic ion that is positive" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:MolecularSpecies a owl:Class ;
    rdfs:label "MolecularSpecies" ;
    dcterms:title "molecular species" ;
    rdfs:subClassOf chemrof:Molecule ;
    skos:definition "A molecule in which the units are identical. Example: methyl" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:MolecularSubsequence a owl:Class ;
    rdfs:label "MolecularSubsequence" ;
    dcterms:title "molecular subsequence" ;
    rdfs:subClassOf chemrof:PolymerPart ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:MoleculeClassificationEnum a owl:Class ;
    rdfs:label "MoleculeClassificationEnum" ;
    rdfs:subClassOf linkml:EnumDefinition ;
    owl:unionOf ( CHEBI:18059 CHEBI:35701 ) ;
    skos:inScheme <https://w3id.org/chemrof> ;
    linkml:permissible_values CHEBI:18059,
        CHEBI:35701 .

chemrof:Monomer a owl:Class ;
    rdfs:label "Monomer" ;
    dcterms:title "monomer" ;
    rdfs:subClassOf chemrof:PolymerPart ;
    skos:altLabel "momomer species" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:Nanomaterial a owl:Class ;
    rdfs:label "Nanomaterial" ;
    dcterms:source Wikipedia:Nanomaterials ;
    dcterms:title "nanomaterial" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:has_morphological_category ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:NanostructureMorphologyEnum ;
            owl:onProperty chemrof:has_morphological_category ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:has_morphological_category ],
        chemrof:Material ;
    skos:definition "A material of which a single unit is sized (in at least one dimension) between 1 and 100 nm" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:NaturalProduct a owl:Class ;
    rdfs:label "NaturalProduct" ;
    dcterms:title "natural product" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:derived_from_organisms ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:anyURI ;
            owl:onProperty chemrof:derived_from_organisms ],
        chemrof:Molecule ;
    skos:exactMatch wdeschema:E240 ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:NeutralMolecule a owl:Class ;
    rdfs:label "NeutralMolecule" ;
    dcterms:title "neutral molecule" ;
    rdfs:subClassOf chemrof:NetUnchargedMolecule ;
    skos:definition "A molecule that has no net charge and is not a zwitterion" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:NonSpeciesMolecule a owl:Class ;
    rdfs:label "NonSpeciesMolecule" ;
    dcterms:title "non species molecule" ;
    rdfs:subClassOf chemrof:Molecule ;
    skos:definition "A molecule in which the units are not identical. TODO: move this higher" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:Peptide a owl:Class ;
    rdfs:label "Peptide" ;
    dcterms:title "peptide" ;
    rdfs:subClassOf chemrof:Macromolecule ;
    skos:inScheme <https://w3id.org/chemrof> .

<https://w3id.org/chemrof/PeriodicTableBlockEnum#g-block> a owl:Class ;
    rdfs:label "g-block" ;
    rdfs:subClassOf chemrof:PeriodicTableBlockEnum,
        linkml:PermissibleValue ;
    skos:definition "The g-block is a hypothetical region in the periodic table of the elements." .

chemrof:ProportionalPart a owl:Class ;
    rdfs:label "ProportionalPart" ;
    dcterms:title "proportional part" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:composed_of ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:float ;
            owl:onProperty chemrof:minimal_percentage ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:maximum_percentage ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:float ;
            owl:onProperty chemrof:maximum_percentage ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:has_role ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:maximum_percentage ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:minimal_percentage ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:ChemicalEntity ;
            owl:onProperty chemrof:composed_of ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:composed_of ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:minimal_percentage ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:IngredientRoleEnum ;
            owl:onProperty chemrof:has_role ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:has_role ],
        chemrof:ChemicalRelationship ;
    skos:definition "A part of a complex mixture that is of uniform composition" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:Protein a owl:Class ;
    rdfs:label "Protein" ;
    dcterms:title "protein" ;
    rdfs:subClassOf chemrof:Macromolecule ;
    skos:definition "A macromolecule composed of one or more polypeptide chains of amino acids that fold into a specific three-dimensional structure and perform biological functions" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:RNASequenceInterval a owl:Class ;
    rdfs:label "RNASequenceInterval" ;
    dcterms:title "RNA sequence interval" ;
    rdfs:subClassOf chemrof:NucleotideSequenceInterval ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:RacemicMixture a owl:Class ;
    rdfs:label "RacemicMixture" ;
    dcterms:title "racemic mixture" ;
    rdfs:seeAlso <https://github.com/ebi-chebi/ChEBI/issues/3245> ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:has_right_enantiomer ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:Enantiomer ;
            owl:onProperty chemrof:has_right_enantiomer ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:Enantiomer ;
            owl:onProperty chemrof:has_left_enantiomer ],
        [ a owl:Restriction ;
            owl:allValuesFrom [ a rdfs:Datatype ;
                    owl:onDatatype xsd:string ;
                    owl:withRestrictions ( [ xsd:pattern "^rac-" ] ) ] ;
            owl:onProperty chemrof:IUPAC_name ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:Molecule ;
            owl:onProperty chemrof:chirality_agnostic_form ],
        [ a owl:Restriction ;
            owl:minCardinality 1 ;
            owl:onProperty chemrof:has_left_enantiomer ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:chirality_agnostic_form ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:has_left_enantiomer ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:chirality_agnostic_form ],
        [ a owl:Restriction ;
            owl:minCardinality 1 ;
            owl:onProperty chemrof:has_right_enantiomer ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:IUPAC_name ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:IUPAC_name ],
        chemrof:PreciseChemicalMixture ;
    skos:altLabel "racemate",
        "racemic mixture of enantiomers" ;
    skos:definition "a chemical compound that has equal amounts of left- and right-handed enantiomers of a chiral molecule. An example is Thalidomide" ;
    skos:exactMatch CHEBI:60911,
        NCIT:C103198,
        wd:Q467717,
        goldbook:R05025,
        wdeschema:E47 ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:Radionuclide a owl:Class ;
    rdfs:label "Radionuclide" ;
    dcterms:title "radionuclide" ;
    rdfs:subClassOf chemrof:Nuclide ;
    skos:altLabel "radioactive isotope",
        "radioactive nuclide" ;
    skos:definition "an atom that has excess nuclear energy, making it unstable" ;
    skos:inScheme <https://w3id.org/chemrof> .

<https://w3id.org/chemrof/ReactionTypeEnum#aromatic_heterocycle_formation> a owl:Class ;
    rdfs:label "aromatic_heterocycle_formation" ;
    rdfs:subClassOf chemrof:ReactionTypeEnum,
        linkml:PermissibleValue ;
    skos:definition "Formation of aromatic rings containing heteroatoms" .

<https://w3id.org/chemrof/ReactionTypeEnum#deprotection> a owl:Class ;
    rdfs:label "deprotection" ;
    rdfs:subClassOf chemrof:ReactionTypeEnum,
        linkml:PermissibleValue ;
    skos:definition "Removal of protecting groups to restore original functionalities" .

<https://w3id.org/chemrof/ReactionTypeEnum#functional_group_addition> a owl:Class ;
    rdfs:label "functional_group_addition" ;
    rdfs:subClassOf chemrof:ReactionTypeEnum,
        linkml:PermissibleValue ;
    skos:definition "Addition of functional groups to unsaturated bonds or reactive centers" .

<https://w3id.org/chemrof/ReactionTypeEnum#protection> a owl:Class ;
    rdfs:label "protection" ;
    rdfs:subClassOf chemrof:ReactionTypeEnum,
        linkml:PermissibleValue ;
    skos:definition "Introduction of protecting groups to temporarily mask reactive functionalities" .

<https://w3id.org/chemrof/ReactionTypeEnum#resolution> a owl:Class ;
    rdfs:label "resolution" ;
    rdfs:subClassOf chemrof:ReactionTypeEnum,
        linkml:PermissibleValue ;
    skos:definition "Separation of enantiomers or other stereoisomers" .

<https://w3id.org/chemrof/ReactionTypeEnum#ring_opening> a owl:Class ;
    rdfs:label "ring_opening" ;
    rdfs:subClassOf chemrof:ReactionTypeEnum,
        <https://w3id.org/chemrof/ReactionTypeEnum#bond_breaking> ;
    skos:definition "Cleavage of cyclic structures to form linear products" .

chemrof:SmallMolecule a owl:Class ;
    rdfs:label "SmallMolecule" ;
    dcterms:title "small molecule" ;
    rdfs:subClassOf chemrof:Molecule ;
    skos:definition "A molecule characterized by availability in small-molecule databases" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:State a owl:Class ;
    rdfs:label "State" ;
    dcterms:title "state" ;
    rdfs:subClassOf <https://w3id.org/linkml/ClassDefinition#Mixin> ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:SubatomicParticleOccurrence a owl:Class ;
    rdfs:label "SubatomicParticleOccurrence" ;
    dcterms:title "subatomic particle occurrence" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:Count ],
        [ a owl:Restriction ;
            owl:minCardinality 1 ;
            owl:onProperty chemrof:occurrence_of ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:occurrence_of ],
        [ a owl:Restriction ;
            owl:onProperty linkml:mixins ;
            owl:someValuesFrom chemrof:OwlClass ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:SubatomicParticle ;
            owl:onProperty chemrof:occurrence_of ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:integer ;
            owl:onProperty chemrof:Count ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:Count ],
        chemrof:ChemicalRelationship ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:SupramolecularPolymer a owl:Class ;
    rdfs:label "SupramolecularPolymer" ;
    dcterms:title "supramolecular polymer" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:has_repeat_unit ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:has_repeat_unit ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:polymer_of ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:Macromolecule ;
            owl:onProperty chemrof:polymer_of ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:ChemicalEntity ;
            owl:onProperty chemrof:has_repeat_unit ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:polymer_of ],
        chemrof:MolecularComplex ;
    skos:definition "polymeric arrays of monomeric units that are connected by reversible and highly directional secondary interactions–that is, non-covalent bonds" ;
    skos:exactMatch Wikipedia:Supramolecular_polymer ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:UnchargedAtom a owl:Class ;
    rdfs:label "UnchargedAtom" ;
    dcterms:title "uncharged atom" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:onProperty linkml:mixins ;
            owl:someValuesFrom chemrof:Uncharged ],
        chemrof:AtomIonicForm ;
    skos:definition "An atom type that has no charge" ;
    skos:inScheme <https://w3id.org/chemrof> ;
    skos:mappingRelation COB:0000043 .

chemrof:WeaklyBonded a owl:Class ;
    rdfs:label "WeaklyBonded" ;
    dcterms:title "weakly bonded" ;
    rdfs:subClassOf chemrof:Connectivity ;
    skos:definition "Not covalently bonded" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:Zwitterion a owl:Class ;
    rdfs:label "Zwitterion" ;
    dcterms:title "zwitterion" ;
    rdfs:subClassOf chemrof:NetUnchargedMolecule ;
    skos:definition "A molecule that has both a positive and negative charges but is net neutral" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:derived_from_organisms a owl:DatatypeProperty ;
    rdfs:label "derived_from_organisms" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:direct_conjugatated_form_of a owl:DatatypeProperty,
        owl:SymmetricProperty ;
    rdfs:label "direct_conjugatated_form_of" ;
    dcterms:title "direct conjugatated form of" ;
    rdfs:subPropertyOf chemrof:derivative_of ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:entities a owl:ObjectProperty ;
    rdfs:label "entities" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:has_atom_occurrences a owl:ObjectProperty ;
    rdfs:label "has_atom_occurrences" ;
    dcterms:title "has atom occurrences" ;
    rdfs:range chemrof:AtomOccurrence ;
    skos:definition "An individuated atom in the context of a chemical structure." ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:has_atoms a owl:ObjectProperty ;
    rdfs:label "has_atoms" ;
    dcterms:title "has atoms" ;
    rdfs:domain chemrof:Molecule ;
    rdfs:range chemrof:Atom ;
    rdfs:subPropertyOf chemrof:has_part ;
    skos:definition "Relation between a molecule and the atoms it contains. Note that this is a shortcut relation: for granular representations go via atom occurrences" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:has_bonds a owl:ObjectProperty ;
    rdfs:label "has_bonds" ;
    dcterms:title "has bonds" ;
    rdfs:domain chemrof:Molecule ;
    rdfs:range chemrof:AtomicBond ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:has_different_charge_state_from a owl:DatatypeProperty ;
    rdfs:label "has_different_charge_state_from" ;
    dcterms:title "has different charge state from" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:has_ionic_component a owl:DatatypeProperty ;
    rdfs:label "has_ionic_component" ;
    dcterms:title "has ionic component" ;
    rdfs:subPropertyOf chemrof:has_part ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:has_proportional_parts a owl:ObjectProperty ;
    rdfs:label "has_proportional_parts" ;
    dcterms:title "has proportional parts" ;
    rdfs:domain chemrof:ImpreciseChemicalMixture ;
    rdfs:range chemrof:ProportionalPart ;
    skos:altLabel "has ingredients" ;
    skos:definition "Relationship between a complex mixture and its parts" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:has_stereocenter a owl:ObjectProperty ;
    rdfs:label "has_stereocenter" ;
    dcterms:title "has stereocenter" ;
    rdfs:range chemrof:Stereocenter ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:inchi_component a owl:DatatypeProperty ;
    rdfs:label "inchi_component" ;
    dcterms:title "inchi component" ;
    rdfs:subPropertyOf chemrof:information_property ;
    skos:definition "A part of an InChI object" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:left_participants a owl:ObjectProperty ;
    rdfs:label "left_participants" ;
    dcterms:title "left participants" ;
    rdfs:range chemrof:ReactionParticipant ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:pka_ionization_constant a owl:DatatypeProperty ;
    rdfs:label "pka_ionization_constant" ;
    dcterms:title "pKa ionization constant" ;
    rdfs:range xsd:float ;
    rdfs:subPropertyOf chemrof:molecular_property ;
    skos:definition "The negative logarithm of the acid dissociation constant (Ka) for ionizable groups in a molecule. Multiple pKa values may exist for molecules with multiple ionizable groups." ;
    skos:inScheme <https://w3id.org/chemrof> ;
    skos:note "For molecules with multiple ionizable groups, this field can contain multiple values",
        "Lower pKa values indicate stronger acids",
        "Standard conditions: aqueous solution at 25°C" .

chemrof:right_participants a owl:ObjectProperty ;
    rdfs:label "right_participants" ;
    dcterms:title "right participants" ;
    rdfs:range chemrof:ReactionParticipant ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:rinchi_key_string a owl:DatatypeProperty ;
    rdfs:label "rinchi_key_string" ;
    dcterms:title "rinchi key string" ;
    rdfs:subPropertyOf chemrof:hashed_chemical_formula ;
    skos:definition "A hashed representation of a RInChi string" ;
    skos:inScheme <https://w3id.org/chemrof> ;
    chemrof:hash_of "has_rinchi_representation" .

chemrof:stereoisomer_of a owl:DatatypeProperty ;
    rdfs:label "stereoisomer_of" ;
    dcterms:title "stereoisomer of" ;
    rdfs:subPropertyOf chemrof:chemical_isomer_of ;
    skos:altLabel "spatial isomer of" ;
    skos:definition "a relationship that holds between two forms of the 'same' molecule with identical chemical formulas but different bonds" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:thermophysical_property a owl:DatatypeProperty ;
    rdfs:label "thermophysical_property" ;
    dcterms:title "thermophysical property" ;
    rdfs:subPropertyOf chemrof:chemical_property ;
    skos:inScheme <https://w3id.org/chemrof> .

CHEBI:36342 a owl:Class ;
    rdfs:label "SubatomicParticle" ;
    rdfs:subClassOf chemrof:SubatomicParticleEnum,
        linkml:PermissibleValue ;
    skos:definition "A particle smaller than an atom." .

chemrof:ChargeState a owl:Class ;
    rdfs:label "ChargeState" ;
    dcterms:title "charge state" ;
    rdfs:subClassOf chemrof:State ;
    skos:definition "Applies to entities that have a charge state, which may be positive, negative, or neutral" ;
    skos:inScheme <https://w3id.org/chemrof> ;
    skos:mappingRelation CHEMINF:000120 .

chemrof:ChemicalGroup a owl:Class ;
    rdfs:label "ChemicalGroup" ;
    dcterms:title "chemical group" ;
    rdfs:subClassOf chemrof:MolecularComponent ;
    skos:altLabel "FunctionalGroup",
        "chemical functional group",
        "group" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:ChemicalSalt a owl:Class ;
    rdfs:label "ChemicalSalt" ;
    dcterms:title "chemical salt" ;
    rdfs:seeAlso <https://github.com/MaastrichtU-IDS/semanticscience/issues/96>,
        <https://www.drugs.com/article/pharmaceutical-salts.html> ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:elemental_charge ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:CationState ;
            owl:onProperty chemrof:has_cationic_component ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:has_anionic_component ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:has_cationic_component ],
        [ a owl:Restriction ;
            owl:allValuesFrom [ a rdfs:Datatype ;
                    owl:intersectionOf ( [ a rdfs:Datatype ;
                                owl:onDatatype xsd:integer ;
                                owl:withRestrictions ( [ xsd:minInclusive 0 ] ) ] [ a rdfs:Datatype ;
                                owl:onDatatype xsd:integer ;
                                owl:withRestrictions ( [ xsd:maxInclusive 0 ] ) ] ) ] ;
            owl:onProperty chemrof:elemental_charge ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:elemental_charge ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:AnionState ;
            owl:onProperty chemrof:has_anionic_component ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:has_anionic_component ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:has_cationic_component ],
        chemrof:PreciseChemicalMixture ;
    skos:definition "a chemical compound consisting of an ionic assembly of cations and anions." ;
    skos:exactMatch SIO:001422 ;
    skos:inScheme <https://w3id.org/chemrof> ;
    skos:note "in SIO falls under molecular complex? Also in biolink" .

chemrof:Connectivity a owl:Class ;
    rdfs:label "Connectivity" ;
    dcterms:title "connectivity" ;
    rdfs:subClassOf <https://w3id.org/linkml/ClassDefinition#Mixin> ;
    skos:definition "Abstract grouping for slots that related chemical entities via a connectivity relationships" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:Count a owl:DatatypeProperty ;
    rdfs:label "Count" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:ElementMetallicClassification a owl:Class ;
    rdfs:label "ElementMetallicClassification" ;
    dcterms:title "element_metallic_classification" ;
    rdfs:subClassOf linkml:EnumDefinition ;
    owl:unionOf ( damlpt:Metallic damlpt:Non-Metallic damlpt:Semi-Metallic ) ;
    skos:exactMatch damlpt:Classification ;
    skos:inScheme <https://w3id.org/chemrof> ;
    linkml:permissible_values damlpt:Metallic,
        damlpt:Non-Metallic,
        damlpt:Semi-Metallic .

chemrof:GroupingClass a owl:Class ;
    rdfs:label "GroupingClass" ;
    dcterms:title "grouping class" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:name ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:name ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:subtype_of ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:GroupingClass ;
            owl:onProperty chemrof:subtype_of ],
        [ a owl:Restriction ;
            owl:onProperty linkml:mixins ;
            owl:someValuesFrom chemrof:OwlClass ],
        [ a owl:Restriction ;
            owl:minCardinality 1 ;
            owl:onProperty chemrof:id ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:id ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:string ;
            owl:onProperty chemrof:name ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:string ;
            owl:onProperty chemrof:id ],
        linkml:ClassDefinition ;
    skos:definition "Instances of this class represent generic  concepts that can be used to group more specific concepts, or to classify entities" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:GroupingClassForAcidsOrBases a owl:Class ;
    rdfs:label "GroupingClassForAcidsOrBases" ;
    dcterms:title "grouping class for acids or bases" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:conjugate_base_of ],
        [ a owl:Restriction ;
            owl:allValuesFrom owl:Thing ;
            owl:onProperty chemrof:conjugate_acid_of ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:conjugate_acid_of ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:conjugate_base_of ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:conjugate_acid_of ],
        [ a owl:Restriction ;
            owl:allValuesFrom owl:Thing ;
            owl:onProperty chemrof:conjugate_base_of ],
        chemrof:MoleculeGroupingClass ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:ImpreciseChemicalMixture a owl:Class ;
    rdfs:label "ImpreciseChemicalMixture" ;
    dcterms:title "imprecise chemical mixture" ;
    rdfs:seeAlso <https://jcheminf.biomedcentral.com/articles/10.1186/s13321-019-0357-4> ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:has_mixfile_location ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:anyURI ;
            owl:onProperty chemrof:has_mixfile_location ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:ProportionalPart ;
            owl:onProperty chemrof:has_proportional_parts ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:string ;
            owl:onProperty chemrof:has_minchi_representation ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:has_minchi_representation ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:has_mixfile_location ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:has_minchi_representation ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:has_proportional_parts ],
        chemrof:ChemicalMixture ;
    skos:altLabel "portion of matter" ;
    skos:definition "A macroscopic polyatomic entity that consists of multiple chemical entities where the stoichiometry is not specified and the spatial arrangement of the ingredients is not defined. Examples include coal, tea tree oil, toothpaste, organometallic compounds, heterogeneous metals" ;
    skos:inScheme <https://w3id.org/chemrof> ;
    skos:note "although the stoichiometry is not known rough percentage parts can be provided" .

chemrof:MolecularComplex a owl:Class ;
    rdfs:label "MolecularComplex" ;
    dcterms:title "molecular complex" ;
    rdfs:subClassOf chemrof:PreciseChemicalMixture ;
    skos:altLabel "complex of molecular entities",
        "molecule complex",
        "poly molecular composite entity" ;
    skos:definition "A molecular complex is a chemical complex composed of at least one weakly interacting molecule.[SIO] Examples: chromosome, double-standed DNA, protein-containing macromolecular complex" ;
    skos:exactMatch COB:0000080,
        biotop:MoleculeComplex,
        SIO:010506 ;
    skos:inScheme <https://w3id.org/chemrof> ;
    skos:note "In SIO, molecular complex is an only child of chemical complex, which is under chemical substance. chemical complex is defined as A chemical complex is a chemical substance composed of a weakly connected molecules and ions in a known stoichiometry.",
        "In bioptop, molecule complex is a sibling of structured biological entity under poly molecular composite entity" .

chemrof:PhysicochemicalEntityGroupingClass a owl:Class ;
    rdfs:label "PhysicochemicalEntityGroupingClass" ;
    dcterms:title "physicochemical entity grouping class" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:classifies ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:subtype_of ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:classifies ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:PhysicochemicalEntityGroupingClass ;
            owl:onProperty chemrof:subtype_of ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:PhysicochemicalEntity ;
            owl:onProperty chemrof:classifies ],
        chemrof:GroupingClass ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:Stereocenter a owl:Class ;
    rdfs:label "Stereocenter" ;
    dcterms:source Wikipedia:Stereocenter ;
    dcterms:title "stereocenter" ;
    rdfs:subClassOf chemrof:Location ;
    skos:altLabel "stereogenic center" ;
    skos:definition "a geometric point in a molecule in which the interchanging of two substituents creates a stereoisomer." ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:Stereoisomer a owl:Class ;
    rdfs:label "Stereoisomer" ;
    dcterms:title "stereoisomer" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:allValuesFrom xsd:string ;
            owl:onProperty chemrof:isomeric_smiles_string ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:isomeric_smiles_string ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:isomeric_smiles_string ],
        chemrof:Molecule ;
    skos:exactMatch SIO:010775,
        wdeschema:E241 ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:Uncharged a owl:Class ;
    rdfs:label "Uncharged" ;
    dcterms:title "uncharged" ;
    rdfs:subClassOf chemrof:ChargeState ;
    skos:altLabel "neutral charge" ;
    skos:definition "Applies to entities that are uncharged, i.e. have an elemental charge of zero" ;
    skos:inScheme <https://w3id.org/chemrof> ;
    skos:mappingRelation CHEMINF:000401 .

chemrof:absolute_configuration a owl:DatatypeProperty ;
    rdfs:label "absolute_configuration" ;
    dcterms:title "absolute configuration" ;
    rdfs:range xsd:string ;
    rdfs:seeAlso Wikipedia:Cahn%E2%80%93Ingold%E2%80%93Prelog_priority_rules ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:acidity a owl:DatatypeProperty ;
    rdfs:label "acidity" ;
    dcterms:title "acidity" ;
    rdfs:range xsd:float ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:allotropic_analog_of a owl:ObjectProperty ;
    rdfs:label "allotropic_analog_of" ;
    dcterms:title "allotropic analog of" ;
    rdfs:domain chemrof:Allotrope ;
    rdfs:range chemrof:Allotrope ;
    rdfs:subPropertyOf chemrof:alternate_form_of ;
    skos:definition "relationship that holds between two allotropes, where both allotropes are allotropes of the same element" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:boiling_point_in_celcius a owl:DatatypeProperty ;
    rdfs:label "boiling_point_in_celcius" ;
    dcterms:title "boiling point in celcius" ;
    rdfs:range xsd:float ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:bond_angle a owl:DatatypeProperty ;
    rdfs:label "bond_angle" ;
    dcterms:title "bond angle" ;
    rdfs:range xsd:float ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:bond_energy a owl:DatatypeProperty ;
    rdfs:label "bond_energy" ;
    skos:altLabel "average bond enthalpy",
        "mean bond enthalpy" ;
    skos:definition "the measure of bond strength in a chemical bond." ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:bond_length a owl:DatatypeProperty ;
    rdfs:label "bond_length" ;
    skos:definition "the average distance between nuclei of two bonded atoms in a molecule" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:bond_length_in_angstroms a owl:DatatypeProperty ;
    rdfs:label "bond_length_in_angstroms" ;
    dcterms:title "bond length in angstroms" ;
    rdfs:range xsd:float ;
    skos:definition "the average distance between nuclei of two bonded atoms in a molecule. It is a transferable property of a bond between atoms of fixed types, relatively independent of the rest of the molecule." ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:bond_order a owl:DatatypeProperty ;
    rdfs:label "bond_order" ;
    skos:definition "the number of electron pairs (bonds) between a pair of atoms" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:bond_type a owl:ObjectProperty ;
    rdfs:label "bond_type" ;
    dcterms:title "bond type" ;
    rdfs:range chemrof:BondTypeEnum ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:bronsted_acid_base_role a owl:ObjectProperty ;
    rdfs:label "bronsted_acid_base_role" ;
    dcterms:title "bronsted acid base role" ;
    rdfs:range chemrof:BronstedAcidBaseRoleEnum ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:charge_agnostic_entity a owl:ObjectProperty ;
    rdfs:label "charge_agnostic_entity" ;
    dcterms:title "charge agnostic entity" ;
    rdfs:range chemrof:ChemicalEntity ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:chemical_isomer_of a owl:ObjectProperty ;
    rdfs:label "chemical_isomer_of" ;
    dcterms:title "chemical isomer of" ;
    rdfs:domain chemrof:Molecule ;
    rdfs:range chemrof:Molecule ;
    rdfs:seeAlso Wikipedia:Isomer ;
    rdfs:subPropertyOf chemrof:alternate_form_of ;
    skos:altLabel "isomer of" ;
    skos:definition "a relationship that holds between two forms of a parent molecule with identical chemical formulas but distinct arrangements of atoms in space" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:chirality_agnostic_form a owl:ObjectProperty ;
    rdfs:label "chirality_agnostic_form" ;
    dcterms:title "chirality agnostic form" ;
    rdfs:range chemrof:Molecule ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:composed_of a owl:ObjectProperty ;
    rdfs:label "composed_of" ;
    dcterms:title "composed of" ;
    rdfs:range chemrof:ChemicalEntity ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:coordination_number a owl:DatatypeProperty ;
    rdfs:label "coordination_number" ;
    dcterms:title "coordination number" ;
    rdfs:range xsd:integer ;
    skos:altLabel "coordination" ;
    skos:definition "The number of atoms bonded to the atom of interest. [https://doi.org/10.1021%2Fed083p791]" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:degree_of_polymerization a owl:DatatypeProperty ;
    rdfs:label "degree_of_polymerization" ;
    dcterms:title "degree of polymerization" ;
    rdfs:range xsd:int ;
    rdfs:seeAlso Wikipedia:Degree_of_polymerization ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:description a owl:DatatypeProperty ;
    rdfs:label "description" ;
    dcterms:title "description" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:direction a owl:DatatypeProperty ;
    rdfs:label "direction" ;
    dcterms:title "direction" ;
    skos:definition "One of l->r, r->l, bidirectional, neutral" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:electron_configuration a owl:DatatypeProperty ;
    rdfs:label "electron_configuration" ;
    dcterms:title "electron configuration" ;
    rdfs:range xsd:string ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:empirical_formula a owl:DatatypeProperty ;
    rdfs:label "empirical_formula" ;
    dcterms:title "empirical formula" ;
    rdfs:subPropertyOf chemrof:chemical_formula ;
    skos:definition "A chemical formula where numbers denote relative proportion of atoms. E.g. CH2O for glucose" ;
    skos:exactMatch CHEMINF:000042 ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:enantiomer_form_of a owl:ObjectProperty ;
    rdfs:label "enantiomer_form_of" ;
    dcterms:title "enantiomer form of" ;
    rdfs:range chemrof:Molecule ;
    rdfs:subPropertyOf chemrof:owl_subclass_of ;
    skos:definition "Example:  R-thalidomide is the enantiomer form of 2-(2,6-dioxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dione" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:energy_level a owl:DatatypeProperty ;
    rdfs:label "energy_level" ;
    dcterms:title "energy level" ;
    skos:altLabel "energy state" ;
    skos:definition "e.g. ground, stable" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:formal_charge a owl:DatatypeProperty ;
    rdfs:label "formal_charge" ;
    dcterms:title "formal charge" ;
    rdfs:range xsd:integer ;
    skos:altLabel "charge" ;
    skos:definition "The charge remaining on an atom when all ligands are removed homolytically. [https://doi.org/10.1021%2Fed083p791]" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:hard_or_soft a owl:ObjectProperty ;
    rdfs:label "hard_or_soft" ;
    dcterms:title "hard or soft" ;
    rdfs:range chemrof:HardOrSoftEnum ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:has_bonding_structure a owl:DatatypeProperty ;
    rdfs:label "has_bonding_structure" ;
    dcterms:title "has bonding structure" ;
    skos:definition "The pattern in which the atoms are bonded; e.g. hexagonal lattice, sheets, etc" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:has_charge_state a owl:DatatypeProperty ;
    rdfs:label "has_charge_state" ;
    dcterms:title "has charge state" ;
    rdfs:range xsd:anyURI ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:has_chemical_role a owl:ObjectProperty ;
    rdfs:label "has_chemical_role" ;
    dcterms:title "has chemical role" ;
    rdfs:range chemrof:ChemicalRole ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:has_group a owl:DatatypeProperty ;
    rdfs:label "has_group" ;
    dcterms:title "has group" ;
    rdfs:domain chemrof:Atom ;
    rdfs:subPropertyOf chemrof:has_submolecules ;
    skos:definition "Relation between a molecule and the groups it contains" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:has_left_enantiomer a owl:ObjectProperty ;
    rdfs:label "has_left_enantiomer" ;
    dcterms:title "has left enantiomer" ;
    rdfs:range chemrof:Enantiomer ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:has_minchi_representation a owl:DatatypeProperty ;
    rdfs:label "has_minchi_representation" ;
    dcterms:title "has minchi representation" ;
    rdfs:seeAlso <https://cheminf20.org/2018/08/27/mixtures-cheminformatics/> ;
    rdfs:subPropertyOf chemrof:chemical_representation ;
    skos:altLabel "MInChi" ;
    skos:definition "Proposed new Mixtures InChI" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:has_mixfile_location a owl:DatatypeProperty ;
    rdfs:label "has_mixfile_location" ;
    dcterms:title "has mixfile location" ;
    rdfs:range xsd:anyURI ;
    rdfs:seeAlso <https://github.com/cdd/mixtures>,
        <https://jcheminf.biomedcentral.com/articles/10.1186/s13321-019-0357-4> ;
    rdfs:subPropertyOf chemrof:information_property ;
    skos:definition "Location of a MixFile representing a chemical mixture" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:has_morphological_category a owl:ObjectProperty ;
    rdfs:label "has_morphological_category" ;
    dcterms:title "has morphological category" ;
    rdfs:range chemrof:NanostructureMorphologyEnum ;
    skos:definition "e.g. rod, sheet" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:has_nuclear_parts a owl:ObjectProperty ;
    rdfs:label "has_nuclear_parts" ;
    dcterms:title "has nuclear parts" ;
    rdfs:range chemrof:SubatomicParticleOccurrence ;
    rdfs:subPropertyOf chemrof:property_of_atom ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:has_parent_acid a owl:ObjectProperty ;
    rdfs:label "has_parent_acid" ;
    dcterms:title "has parent acid" ;
    rdfs:range chemrof:MoleculeByChargeState ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:has_parent_alcohol a owl:ObjectProperty ;
    rdfs:label "has_parent_alcohol" ;
    dcterms:title "has parent alcohol" ;
    rdfs:range chemrof:ChemicalEntity ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:has_reaction_representation a owl:DatatypeProperty ;
    rdfs:label "has_reaction_representation" ;
    rdfs:subPropertyOf chemrof:chemical_representation ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:has_reaction_smiles_representation a owl:DatatypeProperty ;
    rdfs:label "has_reaction_smiles_representation" ;
    dcterms:title "has reaction SMILES representation" ;
    rdfs:subPropertyOf chemrof:has_reaction_representation ;
    skos:altLabel "reaction SMILES" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:has_right_enantiomer a owl:ObjectProperty ;
    rdfs:label "has_right_enantiomer" ;
    dcterms:title "has right enantiomer" ;
    rdfs:range chemrof:Enantiomer ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:has_rinchi_representation a owl:DatatypeProperty ;
    rdfs:label "has_rinchi_representation" ;
    dcterms:title "has rinchi representation" ;
    rdfs:seeAlso <https://jcheminf.biomedcentral.com/articles/10.1186/s13321-018-0277-8> ;
    rdfs:subPropertyOf chemrof:chemical_representation ;
    skos:altLabel "RInChi" ;
    skos:definition "Proposed Reactions InChI" ;
    skos:inScheme <https://w3id.org/chemrof> ;
    skos:note "A half-reaction, such as a RInChI with starting materials and no identified products, is a valid RInChI" .

chemrof:has_role a owl:ObjectProperty ;
    rdfs:label "has_role" ;
    dcterms:title "has role" ;
    rdfs:range chemrof:IngredientRoleEnum ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:hashed_chemical_formula a owl:DatatypeProperty ;
    rdfs:label "hashed_chemical_formula" ;
    dcterms:title "hashed chemical formula" ;
    rdfs:domain chemrof:ChemicalEntity ;
    rdfs:range xsd:string ;
    rdfs:subPropertyOf chemrof:chemical_representation ;
    skos:definition "A hashed version of a chemical formula" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:inchi_string a owl:DatatypeProperty ;
    rdfs:label "inchi_string" ;
    dcterms:title "InChi" ;
    rdfs:seeAlso <https://chemistry.stackexchange.com/questions/151072/can-cis-trans-isomers-have-same-inchi> ;
    rdfs:subPropertyOf chemrof:chemical_formula ;
    skos:altLabel "InChi" ;
    skos:exactMatch CHEMINF:000113,
        OntoRxn:hasInChi ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:inchi_sublayer_in_main_layer a owl:DatatypeProperty ;
    rdfs:label "inchi_sublayer_in_main_layer" ;
    dcterms:title "inchi sublayer in main layer" ;
    rdfs:subPropertyOf chemrof:inchi_sublayer ;
    skos:definition "The main layer consists of chemical formula, atom connections, and hydrogen atoms. Example: CH3O/c1-2/h1H3/q-1" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:inchi_version_string a owl:DatatypeProperty ;
    rdfs:label "inchi_version_string" ;
    dcterms:title "inchi version string" ;
    rdfs:range [ a rdfs:Datatype ;
            owl:onDatatype xsd:string ;
            owl:withRestrictions ( [ xsd:pattern "^1[S]" ] ) ] ;
    rdfs:subPropertyOf chemrof:inchi_component ;
    skos:altLabel "inchi version prefix" ;
    skos:definition "The first part of the inchi_string, after 'InChI='" ;
    skos:inScheme <https://w3id.org/chemrof> ;
    chemrof:inchi.index 1 .

chemrof:is_balanced a owl:DatatypeProperty ;
    rdfs:label "is_balanced" ;
    dcterms:title "is balanced" ;
    rdfs:range xsd:boolean ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:is_branched a owl:DatatypeProperty ;
    rdfs:label "is_branched" ;
    dcterms:title "is branched" ;
    rdfs:range xsd:boolean ;
    rdfs:seeAlso Wikipedia:Branching_\(polymer_chemistry\) ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:is_diastereoselective a owl:DatatypeProperty ;
    rdfs:label "is_diastereoselective" ;
    dcterms:title "is diastereoselective" ;
    rdfs:range xsd:boolean ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:is_fully_characterized a owl:DatatypeProperty ;
    rdfs:label "is_fully_characterized" ;
    dcterms:title "is fully characterized" ;
    rdfs:range xsd:boolean ;
    skos:definition "False if includes R-groups" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:is_organic a owl:DatatypeProperty ;
    rdfs:label "is_organic" ;
    dcterms:title "is organic" ;
    rdfs:domain chemrof:ChemicalEntity ;
    rdfs:range xsd:boolean ;
    skos:closeMatch SIO:010072 ;
    skos:definition "An organic molecule is a molecule composed of organic atoms (at least carbon, hydrogen, and optionally oxygen, phosphorus, nitrogen, sulfur) [SIO]" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:is_radical a owl:DatatypeProperty ;
    rdfs:label "is_radical" ;
    dcterms:title "is radical" ;
    rdfs:domain chemrof:ChemicalEntity ;
    rdfs:range xsd:boolean ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:is_stereo a owl:DatatypeProperty ;
    rdfs:label "is_stereo" ;
    dcterms:title "is stereo" ;
    rdfs:range xsd:boolean ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:is_substitutent_group_from a owl:ObjectProperty ;
    rdfs:label "is_substitutent_group_from" ;
    dcterms:title "is substitutent group from" ;
    rdfs:range chemrof:Molecule ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:is_transport a owl:DatatypeProperty ;
    rdfs:label "is_transport" ;
    dcterms:title "is transport" ;
    rdfs:range xsd:boolean ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:isobar_of a owl:DatatypeProperty ;
    rdfs:label "isobar_of" ;
    dcterms:title "isobar of" ;
    rdfs:subPropertyOf chemrof:alternate_form_of ;
    skos:definition "equal mass number (Z1 + N1 = Z2 + N2)" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:isomeric_smiles_string a owl:DatatypeProperty ;
    rdfs:label "isomeric_smiles_string" ;
    dcterms:title "isomeric smiles string" ;
    rdfs:subPropertyOf chemrof:smiles_string ;
    skos:altLabel "iso-SMILES" ;
    skos:definition "A SMILES string that distinguishes between isomeric forms. E.g. [13C] for carbon-13" ;
    skos:exactMatch wd:P2017 ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:isotope_of a owl:ObjectProperty ;
    rdfs:label "isotope_of" ;
    dcterms:title "isotope of" ;
    rdfs:domain chemrof:Isotope ;
    rdfs:range chemrof:Isotope ;
    rdfs:subPropertyOf chemrof:alternate_form_of ;
    skos:definition "relationship that holds between two isotopes, always holds if the isotopes have the same atomic number and a different neutron number." ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:left_molecule a owl:ObjectProperty ;
    rdfs:label "left_molecule" ;
    dcterms:title "left molecule" ;
    rdfs:range chemrof:Molecule ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:markush_string a owl:DatatypeProperty ;
    rdfs:label "markush_string" ;
    rdfs:subPropertyOf chemrof:chemical_formula ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:maximum_percentage a owl:DatatypeProperty ;
    rdfs:label "maximum_percentage" ;
    dcterms:title "maximum percentage" ;
    rdfs:range xsd:float ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:melting_point_in_celcius a owl:DatatypeProperty ;
    rdfs:label "melting_point_in_celcius" ;
    dcterms:title "melting point in celcius" ;
    rdfs:range xsd:float ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:minimal_percentage a owl:DatatypeProperty ;
    rdfs:label "minimal_percentage" ;
    dcterms:title "minimal percentage" ;
    rdfs:range xsd:float ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:molecular_mass a owl:DatatypeProperty ;
    rdfs:label "molecular_mass" ;
    dcterms:title "molecular mass" ;
    rdfs:range xsd:float ;
    rdfs:subPropertyOf chemrof:molecular_property ;
    skos:definition "The sum of the relative atomic masses of the constituent atoms of a molecule." ;
    skos:exactMatch FIX:0000270,
        NCIT:C28272,
        chebi.property:mass,
        CHEMINF:000198 ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:monoisotopic_mass a owl:DatatypeProperty ;
    rdfs:label "monoisotopic_mass" ;
    dcterms:title "monoisotopic mass" ;
    rdfs:range xsd:float ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:nucleon_number a owl:DatatypeProperty ;
    rdfs:label "nucleon_number" ;
    dcterms:title "nucleon number" ;
    rdfs:domain chemrof:Atom ;
    rdfs:range xsd:int ;
    rdfs:subPropertyOf chemrof:subatomic_particle_count ;
    skos:altLabel "mass number" ;
    skos:definition "number of nucleons in an atom. proton number plus neutron number." ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:object a owl:ObjectProperty ;
    rdfs:label "object" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:optical_configuration a owl:DatatypeProperty ;
    rdfs:label "optical_configuration" ;
    dcterms:title "optical configuration" ;
    rdfs:range xsd:string ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:oxidation_number a owl:DatatypeProperty ;
    rdfs:label "oxidation_number" ;
    dcterms:title "oxidation number" ;
    rdfs:range xsd:integer ;
    skos:altLabel "oxidation",
        "oxidation state" ;
    skos:definition "The charge remaining on an atom when all ligands are removed heterolytically in their closed form, with the electrons being transferred to the more electronegative partner; homonuclear bonds do not contribute to the oxidation number. [https://doi.org/10.1021%2Fed083p791]" ;
    skos:exactMatch goldbook:O04363 ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:participant a owl:ObjectProperty ;
    rdfs:label "participant" ;
    dcterms:title "participant" ;
    rdfs:range chemrof:ChemicalEntity ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:pka_ionic_strength a owl:DatatypeProperty ;
    rdfs:label "pka_ionic_strength" ;
    dcterms:title "pKa ionic strength" ;
    rdfs:range xsd:float ;
    rdfs:subPropertyOf chemrof:molecular_property ;
    skos:definition "Ionic strength of solution in mol/L at which pKa was measured. Default is 0.0 M if not specified." ;
    skos:inScheme <https://w3id.org/chemrof> ;
    skos:note "Salt concentration affects pKa through electrostatic shielding of charges",
        "Standard ionic strength is 0.0 M (zero ionic strength corresponding to distilled water)" .

chemrof:pka_pressure a owl:DatatypeProperty ;
    rdfs:label "pka_pressure" ;
    dcterms:title "pKa pressure" ;
    rdfs:range xsd:float ;
    rdfs:subPropertyOf chemrof:molecular_property ;
    skos:definition "Pressure in atmospheres at which pKa was measured. Default is 1 atm if not specified." ;
    skos:inScheme <https://w3id.org/chemrof> ;
    skos:note "Generally minor effect under standard laboratory conditions",
        "Standard pressure is 1 atm" .

chemrof:pka_solvent a owl:DatatypeProperty ;
    rdfs:label "pka_solvent" ;
    dcterms:title "pKa solvent" ;
    rdfs:range xsd:string ;
    rdfs:subPropertyOf chemrof:molecular_property ;
    skos:definition "Solvent system for pKa measurement. Default is water (H₂O) if not specified." ;
    skos:inScheme <https://w3id.org/chemrof> ;
    skos:note "Standard solvent is water (H₂O)",
        "pKa values in non-aqueous solvents can be dramatically different due to polarity effects" .

chemrof:pka_temperature a owl:DatatypeProperty ;
    rdfs:label "pka_temperature" ;
    dcterms:title "pKa temperature" ;
    rdfs:range xsd:float ;
    rdfs:subPropertyOf chemrof:molecular_property ;
    skos:definition "Temperature in Celsius at which pKa was measured. Default is 25°C if not specified." ;
    skos:inScheme <https://w3id.org/chemrof> ;
    skos:note "Standard temperature is 25°C (298.15 K)",
        "pKa values can shift significantly with temperature following the van't Hoff equation" .

chemrof:polymer_architecture_type a owl:DatatypeProperty ;
    rdfs:label "polymer_architecture_type" ;
    dcterms:title "polymer architecture type" ;
    rdfs:seeAlso Wikipedia:Polymer_architecture ;
    skos:definition "morphological structure of a polymer" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:property_of_atom a owl:DatatypeProperty ;
    rdfs:label "property_of_atom" ;
    dcterms:title "property of atom" ;
    rdfs:domain chemrof:Atom ;
    rdfs:subPropertyOf chemrof:chemical_property ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:reaction_center a owl:DatatypeProperty ;
    rdfs:label "reaction_center" ;
    dcterms:title "reaction center" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:reaction_rate a owl:DatatypeProperty ;
    rdfs:label "reaction_rate" ;
    dcterms:title "reaction rate" ;
    rdfs:range xsd:float ;
    skos:altLabel "v" ;
    skos:definition "the overall speed of a reaction, typically measured in concentration change per unit time" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:reaction_rate_coefficient a owl:DatatypeProperty ;
    rdfs:label "reaction_rate_coefficient" ;
    dcterms:title "reaction rate coefficient" ;
    rdfs:range xsd:float ;
    skos:altLabel "reaction rate constant" ;
    skos:definition "a proportionality constant that relates the reaction rate to reactant concentrations." ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:reaction_type a owl:ObjectProperty ;
    rdfs:label "reaction_type" ;
    dcterms:title "reaction type" ;
    rdfs:range chemrof:ReactionTypeEnum ;
    skos:definition "Classification of the chemical reaction based on mechanistic and functional categories" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:relative_configuration a owl:DatatypeProperty ;
    rdfs:label "relative_configuration" ;
    dcterms:title "relative configuration" ;
    rdfs:range xsd:string ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:repetition_of a owl:ObjectProperty ;
    rdfs:label "repetition_of" ;
    dcterms:title "repetition of" ;
    rdfs:range chemrof:Molecule ;
    skos:definition "the macromolecule that is repeated" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:right_molecule a owl:ObjectProperty ;
    rdfs:label "right_molecule" ;
    dcterms:title "right molecule" ;
    rdfs:range chemrof:Molecule ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:smarts_string a owl:DatatypeProperty ;
    rdfs:label "smarts_string" ;
    dcterms:title "smarts string" ;
    rdfs:subPropertyOf chemrof:chemical_formula ;
    skos:definition "a molecular pattern matching language, related to the popular SMILES molecular language, that can be used to specify sub-structural patterns in molecules." ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:standard_atomic_weight a owl:DatatypeProperty ;
    rdfs:label "standard_atomic_weight" ;
    dcterms:title "standard atomic weight" ;
    rdfs:range xsd:float ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:stoichiometry a owl:DatatypeProperty ;
    rdfs:label "stoichiometry" ;
    dcterms:title "stoichiometry" ;
    rdfs:range xsd:integer ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:subatomic_particle_count a owl:DatatypeProperty ;
    rdfs:label "subatomic_particle_count" ;
    dcterms:title "subatomic particle count" ;
    rdfs:subPropertyOf chemrof:property_of_atom ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:subatomic_particle_type a owl:ObjectProperty ;
    rdfs:label "subatomic_particle_type" ;
    dcterms:title "subatomic particle type" ;
    rdfs:range chemrof:SubatomicParticleEnum ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:subject a owl:ObjectProperty ;
    rdfs:label "subject" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:torsional_angle a owl:DatatypeProperty ;
    rdfs:label "torsional_angle" ;
    dcterms:title "torsional angle" ;
    rdfs:range xsd:float ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:valence a owl:DatatypeProperty ;
    rdfs:label "valence" ;
    dcterms:title "valence" ;
    rdfs:range xsd:integer ;
    skos:altLabel "atom valency",
        "valency" ;
    skos:definition "the number of electrons that an atom uses in bonding [https://doi.org/10.1021%2Fed083p791]" ;
    skos:inScheme <https://w3id.org/chemrof> ;
    skos:note "example:  In in ammonia, nitrogen has a valence of 3, each each hydrogen has a valency of 1",
        "example:  In methane, carbon has a valence of 4, and each hydrogen has a valency of 1",
        "forumla: number of bonds + formal charge",
        "forumla: number of electrons in valence shell of free atom – number of non-bonding electrons on atom in molecule",
        "todo: determine if this is in CHEBI and how to map" .

chemrof:water_solubility a owl:DatatypeProperty ;
    rdfs:label "water_solubility" ;
    dcterms:title "water solubility" ;
    rdfs:range xsd:float ;
    rdfs:subPropertyOf chemrof:molecular_property ;
    skos:definition "The maximum amount of a substance that can dissolve in water at 25°C, expressed in grams per liter (g/L)." ;
    skos:inScheme <https://w3id.org/chemrof> ;
    skos:note "Standard temperature is 25°C (298.15 K)",
        "This property represents the maximum equilibrium solubility in pure water" .

RXNO:0000057 a owl:Class ;
    rdfs:label "functional_group_interconversion" ;
    rdfs:subClassOf chemrof:ReactionTypeEnum,
        linkml:PermissibleValue ;
    skos:definition "Conversion of one functional group to another without changing the carbon skeleton" .

chemrof:Allotrope a owl:Class ;
    rdfs:label "Allotrope" ;
    dcterms:title "allotrope" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:has_bonding_structure ],
        [ a owl:Restriction ;
            owl:minCardinality 1 ;
            owl:onProperty chemrof:allotropic_analog_of ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:allotropic_analog_of ],
        [ a owl:Restriction ;
            owl:minCardinality 1 ;
            owl:onProperty chemrof:has_bonding_structure ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:ChemicalElement ;
            owl:onProperty chemrof:allotropic_analog_of ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:string ;
            owl:onProperty chemrof:has_bonding_structure ],
        chemrof:Molecule ;
    skos:definition "A molecule consisting of atoms of the same element" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:AnionState a owl:Class ;
    rdfs:label "AnionState" ;
    dcterms:title "anion state" ;
    rdfs:subClassOf chemrof:Charged ;
    skos:altLabel "negatively charged state" ;
    skos:definition "This mixin is applied on an entity (atom or molecule) that is negatively charged" ;
    skos:inScheme <https://w3id.org/chemrof> ;
    skos:mappingRelation CHEMINF:000403 .

chemrof:AtomIonicForm a owl:Class ;
    rdfs:label "AtomIonicForm" ;
    dcterms:title "atom ionic form" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:elemental_charge ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:integer ;
            owl:onProperty chemrof:elemental_charge ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:elemental_charge ],
        chemrof:PartiallySpecifiedAtom ;
    skos:altLabel "atom ionic species" ;
    skos:definition "an atom type in which only charge state is specified, designated by the element followed by charge" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:BronstedAcidBaseRoleEnum a owl:Class ;
    rdfs:label "BronstedAcidBaseRoleEnum" ;
    dcterms:title "bronsted_acid_base_role_enum" ;
    rdfs:subClassOf linkml:EnumDefinition ;
    owl:unionOf ( <https://w3id.org/chemrof/BronstedAcidBaseRoleEnum#acid> <https://w3id.org/chemrof/BronstedAcidBaseRoleEnum#base> ) ;
    skos:inScheme <https://w3id.org/chemrof> ;
    linkml:permissible_values <https://w3id.org/chemrof/BronstedAcidBaseRoleEnum#acid>,
        <https://w3id.org/chemrof/BronstedAcidBaseRoleEnum#base> .

chemrof:CationState a owl:Class ;
    rdfs:label "CationState" ;
    dcterms:title "cation state" ;
    rdfs:subClassOf chemrof:Charged ;
    skos:altLabel "positively charged state" ;
    skos:definition "This mixin is applied on an entity (atom or molecule) that is positively charged" ;
    skos:inScheme <https://w3id.org/chemrof> ;
    skos:mappingRelation CHEMINF:000402 .

chemrof:ChemicalMixture a owl:Class ;
    rdfs:label "ChemicalMixture" ;
    dcterms:title "chemical mixture" ;
    rdfs:subClassOf chemrof:PolyatomicEntity ;
    skos:definition "A polyatomic entity that consists of two or more parts that are weakly bound, may be of known or unknown stoichiometry" ;
    skos:exactMatch CHEBI:60004 ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:MonoatomicIon a owl:Class ;
    rdfs:label "MonoatomicIon" ;
    dcterms:title "monoatomic ion" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:allValuesFrom chemrof:ChemicalElement ;
            owl:onProperty chemrof:has_element ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:has_element ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:has_element ],
        [ a owl:Restriction ;
            owl:onProperty linkml:mixins ;
            owl:someValuesFrom chemrof:Charged ],
        chemrof:AtomIonicForm ;
    skos:altLabel "charged atom" ;
    skos:definition "An atom type that has a charge" ;
    skos:inScheme <https://w3id.org/chemrof> ;
    skos:mappingRelation CHEBI:24867,
        COB:0000042 ;
    skos:note "this is mass-number neutral, so there can be no mass associated with a monatomic ion instance" .

chemrof:MonomolecularPolymer a owl:Class ;
    rdfs:label "MonomolecularPolymer" ;
    dcterms:title "monomolecular polymer" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:polymer_architecture_type ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:ChemicalEntity ;
            owl:onProperty chemrof:has_repeat_unit ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:is_branched ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:has_repeat_unit ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:has_repeat_unit ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:string ;
            owl:onProperty chemrof:polymer_architecture_type ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:polymer_of ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:polymer_architecture_type ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:polymer_of ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:is_branched ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:boolean ;
            owl:onProperty chemrof:is_branched ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:Macromolecule ;
            owl:onProperty chemrof:polymer_of ],
        chemrof:Macromolecule ;
    skos:altLabel "oligo or polymer",
        "polymer" ;
    skos:definition "A macromolecule composed of repeating subunits. Examples: cellulose" ;
    skos:exactMatch wd:Q81163 ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:NetUnchargedMolecule a owl:Class ;
    rdfs:label "NetUnchargedMolecule" ;
    dcterms:title "uncharged molecule" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:onProperty linkml:mixins ;
            owl:someValuesFrom chemrof:Uncharged ],
        chemrof:MoleculeByChargeState ;
    skos:definition "A molecule that has no net charge" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:NucleotideSequenceInterval a owl:Class ;
    rdfs:label "NucleotideSequenceInterval" ;
    dcterms:title "nucleotide sequence interval" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:allValuesFrom xsd:string ;
            owl:onProperty chemrof:has_sequence_representation ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:has_sequence_representation ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:has_sequence_representation ],
        chemrof:SequenceInterval ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:PolyatomicIon a owl:Class ;
    rdfs:label "PolyatomicIon" ;
    dcterms:title "polyatomic ion" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:conjugate_base_of ],
        [ a owl:Restriction ;
            owl:allValuesFrom owl:Thing ;
            owl:onProperty chemrof:conjugate_base_of ],
        [ a owl:Restriction ;
            owl:onProperty linkml:mixins ;
            owl:someValuesFrom chemrof:Charged ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:conjugate_acid_of ],
        [ a owl:Restriction ;
            owl:allValuesFrom owl:Thing ;
            owl:onProperty chemrof:conjugate_acid_of ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:conjugate_acid_of ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:conjugate_base_of ],
        chemrof:MoleculeByChargeState ;
    skos:altLabel "polyatomic ion species" ;
    skos:definition "A molecule that has a net charge. For example, nitrate is a molecular and ionic species; its formula is (NO3-)." ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:PolymerPart a owl:Class ;
    rdfs:label "PolymerPart" ;
    dcterms:title "polymer part" ;
    rdfs:subClassOf chemrof:MolecularComponent ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:ReactionParticipant a owl:Class ;
    rdfs:label "ReactionParticipant" ;
    dcterms:title "reaction participant" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:stoichiometry ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:integer ;
            owl:onProperty chemrof:stoichiometry ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:ChemicalEntity ;
            owl:onProperty chemrof:participant ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:participant ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:stoichiometry ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:participant ],
        chemrof:ChemicalRelationship ;
    skos:definition "Instances of this link a reaction to a chemical entity participant" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:SequenceInterval a owl:Class ;
    rdfs:label "SequenceInterval" ;
    dcterms:title "sequence interval" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:allValuesFrom xsd:string ;
            owl:onProperty chemrof:has_sequence_representation ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:has_sequence_representation ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:has_sequence_representation ],
        chemrof:MolecularComponent ;
    skos:definition "a chain of connected monomers in a linear polymer - for example, a sub-region of an amino acid or nucleotide sequence." ;
    skos:inScheme <https://w3id.org/chemrof> ;
    skos:note "- includes an interval corresponding to the whole molecule as an edge case" .

chemrof:SubatomicParticle a owl:Class ;
    rdfs:label "SubatomicParticle" ;
    dcterms:title "subatomic particle" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:allValuesFrom chemrof:SubatomicParticleEnum ;
            owl:onProperty chemrof:subatomic_particle_type ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:subatomic_particle_type ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:subatomic_particle_type ],
        chemrof:PhysicochemicalEntity ;
    skos:definition "A chemical entity below the granularity of an atom." ;
    skos:inScheme <https://w3id.org/chemrof> ;
    skos:mappingRelation CHEBI:36342,
        COB:0000007 .

chemrof:acid_form_of a owl:ObjectProperty ;
    rdfs:label "acid_form_of" ;
    dcterms:title "acid form of" ;
    rdfs:domain chemrof:ChemicalEntity ;
    rdfs:range chemrof:ChemicalEntity ;
    rdfs:subPropertyOf chemrof:conjugate_acid_of ;
    skos:altLabel "protonated form of" ;
    skos:definition "connects an acid to any of the the base anions. E.g. citric acid acid form of citrate(1-),citrate(2-),citrate(3-)" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:structural_isomer_of a owl:DatatypeProperty ;
    rdfs:label "structural_isomer_of" ;
    dcterms:title "structural isomer of" ;
    rdfs:seeAlso Wikipedia:Structural_isomer,
        goldbook:C01285 ;
    rdfs:subPropertyOf chemrof:chemical_isomer_of ;
    skos:altLabel "constitutional isomer" ;
    skos:definition "a relationship that holds between two forms of the 'same' molecule with identical chemical formulas but different bonding patterns" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:Charged a owl:Class ;
    rdfs:label "Charged" ;
    dcterms:title "charged" ;
    rdfs:subClassOf chemrof:ChargeState ;
    skos:altLabel "ion",
        "ionic state" ;
    skos:definition "Applies to entities that are charged, either positive or negative" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:ChemicalGroupingClass a owl:Class ;
    rdfs:label "ChemicalGroupingClass" ;
    dcterms:title "chemical grouping class" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:allValuesFrom chemrof:ChemicalGroupingClass ;
            owl:onProperty chemrof:subtype_of ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:string ;
            owl:onProperty chemrof:smarts_string ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:ChemicalEntity ;
            owl:onProperty chemrof:classifies ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:markush_string ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:markush_string ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:string ;
            owl:onProperty chemrof:markush_string ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:subtype_of ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:id ],
        [ a owl:Restriction ;
            owl:onProperty linkml:mixins ;
            owl:someValuesFrom chemrof:OwlClass ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:classifies ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:smarts_string ],
        [ a owl:Restriction ;
            owl:minCardinality 1 ;
            owl:onProperty chemrof:id ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:smarts_string ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:classifies ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:string ;
            owl:onProperty chemrof:id ],
        chemrof:PhysicochemicalEntityGroupingClass ;
    skos:definition "Instances of this class represent generic chemical concepts that can be used to group more specific concepts, or to classify entities. For example \"amino acid\" is a grouping for \"serine\", \"leucine\" etc; ester is a grouping for nitroglycerin; alkane is a grouping for pentane, butane, methane, etc" ;
    skos:inScheme <https://w3id.org/chemrof> .

<https://w3id.org/chemrof/ClassificationLevelEnum#Subspecies> a owl:Class ;
    rdfs:label "Subspecies" ;
    rdfs:subClassOf chemrof:ClassificationLevelEnum,
        linkml:PermissibleValue .

chemrof:HardOrSoftEnum a owl:Class ;
    rdfs:label "HardOrSoftEnum" ;
    dcterms:title "hard_or_soft_enum" ;
    rdfs:subClassOf linkml:EnumDefinition ;
    owl:unionOf ( <https://w3id.org/chemrof/HardOrSoftEnum#hard> <https://w3id.org/chemrof/HardOrSoftEnum#soft> <https://w3id.org/chemrof/HardOrSoftEnum#borderline> ) ;
    skos:inScheme <https://w3id.org/chemrof> ;
    linkml:permissible_values <https://w3id.org/chemrof/HardOrSoftEnum#borderline>,
        <https://w3id.org/chemrof/HardOrSoftEnum#hard>,
        <https://w3id.org/chemrof/HardOrSoftEnum#soft> .

chemrof:Material a owl:Class ;
    rdfs:label "Material" ;
    dcterms:title "material" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:has_repeat_unit ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:ChemicalEntity ;
            owl:onProperty chemrof:has_part ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:has_repeat_unit ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:ChemicalEntity ;
            owl:onProperty chemrof:has_repeat_unit ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:has_part ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:has_part ],
        chemrof:PhysicochemicalEntity ;
    skos:definition "A substance composed of repeated chemical units that has a specific arrangement of atoms or molecules." ;
    skos:editorialNote "this is intentionally placed outside the chemical entity hierarchy as the concept encompasses more than the chemical structure." ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:Nuclide a owl:Class ;
    rdfs:label "Nuclide" ;
    dcterms:title "nuclide" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:energy_level ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:energy_level ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:string ;
            owl:onProperty chemrof:energy_level ],
        chemrof:PartiallySpecifiedAtom ;
    skos:altLabel "nuclear species",
        "nucleide" ;
    skos:definition "an atomic species characterized by the specific constitution of its nucleus" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:PartiallySpecifiedAtom a owl:Class ;
    rdfs:label "PartiallySpecifiedAtom" ;
    dcterms:title "partially specified atom" ;
    rdfs:subClassOf chemrof:Atom ;
    skos:definition "An atom type that only has a subset of properties (has atomic number, charge, and neutron number) stated" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:PreciseChemicalMixture a owl:Class ;
    rdfs:label "PreciseChemicalMixture" ;
    dcterms:title "precise chemical mixture" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:onProperty linkml:mixins ;
            owl:someValuesFrom chemrof:WeaklyBonded ],
        chemrof:ChemicalMixture ;
    skos:altLabel "chemical substance (SIO)" ;
    skos:definition "A polyatomic entity that consists of two or more parts that are weakly bound, and of known stoichiometry" ;
    skos:exactMatch SIO:011126 ;
    skos:inScheme <https://w3id.org/chemrof> .

<https://w3id.org/chemrof/ReactionTypeEnum#bond_breaking> a owl:Class ;
    rdfs:label "bond_breaking" ;
    rdfs:subClassOf chemrof:ReactionTypeEnum,
        linkml:PermissibleValue ;
    skos:definition "Reactions that break existing bonds to form fragments or rearrange structures" .

chemrof:atomic_number a owl:DatatypeProperty ;
    rdfs:label "atomic_number" ;
    dcterms:title "atomic number" ;
    rdfs:domain chemrof:Atom ;
    rdfs:range xsd:int ;
    rdfs:subPropertyOf chemrof:subatomic_particle_count ;
    skos:altLabel "Z",
        "proton number" ;
    skos:definition "number of protons in an atom" ;
    skos:exactMatch wd:P1086 ;
    skos:inScheme <https://w3id.org/chemrof> ;
    skos:mappingRelation CHEMINF:000079 .

chemrof:has_submolecules a owl:ObjectProperty ;
    rdfs:label "has_submolecules" ;
    dcterms:title "has submolecules" ;
    rdfs:domain chemrof:Molecule ;
    rdfs:range chemrof:Molecule ;
    rdfs:subPropertyOf chemrof:has_part ;
    skos:definition "Relation between a molecule and the molecules it is made from." ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:Enantiomer a owl:Class ;
    rdfs:label "Enantiomer" ;
    dcterms:title "enantiomer" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:inchi_tetrahedral_stereochemical_sublayer ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:string ;
            owl:onProperty chemrof:absolute_configuration ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:relative_configuration ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:string ;
            owl:onProperty chemrof:optical_configuration ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:string ;
            owl:onProperty chemrof:inchi_tetrahedral_stereochemical_sublayer ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:optical_configuration ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:enantiomer_form_of ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:optical_configuration ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:enantiomer_form_of ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:absolute_configuration ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:string ;
            owl:onProperty chemrof:relative_configuration ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:Molecule ;
            owl:onProperty chemrof:enantiomer_form_of ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:string ;
            owl:onProperty chemrof:inchi_stereochemical_type_sublayer ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:inchi_stereochemical_type_sublayer ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:relative_configuration ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:absolute_configuration ],
        [ a owl:Restriction ;
            owl:minCardinality 1 ;
            owl:onProperty chemrof:inchi_stereochemical_type_sublayer ],
        [ a owl:Restriction ;
            owl:minCardinality 1 ;
            owl:onProperty chemrof:inchi_tetrahedral_stereochemical_sublayer ],
        chemrof:Stereoisomer ;
    skos:definition "one of two stereoisomers of a chiral molecule that are mirror images. Example: R-thalidomide" ;
    skos:exactMatch SIO:010777 ;
    skos:inScheme <https://w3id.org/chemrof> ;
    skos:note "key= (enantiomer form of, absolute configuration)",
        "key= (enantiomer form of, inchi tetrahedral stereochemical sublayer)" .

chemrof:IUPAC_name a owl:DatatypeProperty ;
    rdfs:label "IUPAC_name" ;
    dcterms:title "IUPAC name" ;
    rdfs:range xsd:string ;
    rdfs:subPropertyOf chemrof:information_property ;
    skos:exactMatch MI:2007,
        CHEMINF:000107 ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:IngredientRoleEnum a owl:Class ;
    rdfs:label "IngredientRoleEnum" ;
    dcterms:title "ingredient_role_enum" ;
    rdfs:subClassOf linkml:EnumDefinition ;
    owl:unionOf ( <https://w3id.org/chemrof/IngredientRoleEnum#active%20ingredient> <https://w3id.org/chemrof/IngredientRoleEnum#inactive%20ingredient> <https://w3id.org/chemrof/IngredientRoleEnum#excipient> <https://w3id.org/chemrof/IngredientRoleEnum#solvent> ) ;
    skos:inScheme <https://w3id.org/chemrof> ;
    linkml:permissible_values <https://w3id.org/chemrof/IngredientRoleEnum#active%20ingredient>,
        <https://w3id.org/chemrof/IngredientRoleEnum#excipient>,
        <https://w3id.org/chemrof/IngredientRoleEnum#inactive%20ingredient>,
        <https://w3id.org/chemrof/IngredientRoleEnum#solvent> .

chemrof:PhysicochemicalEntity a owl:Class ;
    rdfs:label "PhysicochemicalEntity" ;
    dcterms:title "physicochemical entity" ;
    rdfs:subClassOf chemrof:DomainEntity ;
    skos:definition "A discrete chemical structure, material structure, or subatomic particle type" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:PolyatomicEntity a owl:Class ;
    rdfs:label "PolyatomicEntity" ;
    dcterms:title "polyatomic entity" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:allValuesFrom [ a rdfs:Datatype ;
                    owl:onDatatype xsd:string ;
                    owl:withRestrictions ( [ xsd:pattern "^c.*" ] ) ] ;
            owl:onProperty chemrof:inchi_atom_connections_sublayer ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:inchi_atom_connections_sublayer ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:inchi_atom_connections_sublayer ],
        chemrof:ChemicalEntity ;
    skos:definition "Any chemical entity consisting of more than one atom." ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:Reaction a owl:Class ;
    rdfs:label "Reaction" ;
    dcterms:title "reaction" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:reaction_rate_coefficient ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:string ;
            owl:onProperty chemrof:has_reaction_smiles_representation ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:description ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:reaction_rate_coefficient ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:string ;
            owl:onProperty chemrof:reaction_center ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:is_fully_characterized ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:direction ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:has_rinchi_representation ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:is_stereo ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:is_balanced ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:string ;
            owl:onProperty chemrof:has_rinchi_representation ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:reaction_type ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:float ;
            owl:onProperty chemrof:reaction_rate ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:reaction_rate ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:boolean ;
            owl:onProperty chemrof:is_diastereoselective ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:has_rinchi_representation ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:is_balanced ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:description ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:is_transport ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:direction ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:is_stereo ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:boolean ;
            owl:onProperty chemrof:is_fully_characterized ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:reaction_rate ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:ReactionParticipant ;
            owl:onProperty chemrof:left_participants ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:float ;
            owl:onProperty chemrof:reaction_rate_coefficient ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:string ;
            owl:onProperty chemrof:direction ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:has_reaction_smiles_representation ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:left_participants ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:reaction_center ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:boolean ;
            owl:onProperty chemrof:is_balanced ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:has_reaction_smiles_representation ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:boolean ;
            owl:onProperty chemrof:is_stereo ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:is_diastereoselective ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:reaction_center ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:is_transport ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:right_participants ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:ReactionTypeEnum ;
            owl:onProperty chemrof:reaction_type ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:is_fully_characterized ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:is_diastereoselective ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:string ;
            owl:onProperty chemrof:description ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:reaction_type ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:ReactionParticipant ;
            owl:onProperty chemrof:right_participants ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:boolean ;
            owl:onProperty chemrof:is_transport ],
        chemrof:DomainEntity ;
    skos:definition "Reaction" ;
    skos:exactMatch BFO:0000015,
        MOP:0000010,
        RXNO:0000000 ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:SpecificityMixin a owl:Class ;
    rdfs:label "SpecificityMixin" ;
    dcterms:title "specificity mixin" ;
    rdfs:subClassOf <https://w3id.org/linkml/ClassDefinition#Mixin> ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:carboydrate_representation a owl:DatatypeProperty ;
    rdfs:label "carboydrate_representation" ;
    dcterms:title "carboydrate representation" ;
    rdfs:subPropertyOf chemrof:chemical_representation ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:chemical_to_chemical_relationship a owl:DatatypeProperty ;
    rdfs:label "chemical_to_chemical_relationship" ;
    dcterms:title "chemical to chemical relationship" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:decay_energy a owl:DatatypeProperty ;
    rdfs:label "decay_energy" ;
    dcterms:title "decay energy" ;
    rdfs:domain chemrof:Isotope ;
    rdfs:subPropertyOf chemrof:chemical_property ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:decay_mode a owl:DatatypeProperty ;
    rdfs:label "decay_mode" ;
    dcterms:title "decay mode" ;
    rdfs:domain chemrof:Isotope ;
    rdfs:range xsd:string ;
    rdfs:subPropertyOf chemrof:chemical_property ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:decay_product a owl:ObjectProperty ;
    rdfs:label "decay_product" ;
    dcterms:title "decay product" ;
    rdfs:domain chemrof:Isotope ;
    rdfs:range chemrof:Isotope ;
    rdfs:subPropertyOf chemrof:chemical_property ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:half_life a owl:DatatypeProperty ;
    rdfs:label "half_life" ;
    dcterms:title "half life" ;
    rdfs:domain chemrof:Isotope ;
    rdfs:range xsd:int ;
    rdfs:subPropertyOf chemrof:chemical_property ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:in_periodic_table_block a owl:ObjectProperty ;
    rdfs:label "in_periodic_table_block" ;
    dcterms:title "in periodic table block" ;
    rdfs:range chemrof:PeriodicTableBlockEnum ;
    skos:definition "A block of the periodic table is a set of elements unified by the orbitals their valence electrons or vacancies lie in" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:in_periodic_table_group a owl:DatatypeProperty ;
    rdfs:label "in_periodic_table_group" ;
    dcterms:title "in periodic table group" ;
    rdfs:range xsd:int ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:inchi_proton_sublayer a owl:DatatypeProperty ;
    rdfs:label "inchi_proton_sublayer" ;
    dcterms:title "inchi proton sublayer" ;
    rdfs:range [ a rdfs:Datatype ;
            owl:onDatatype xsd:string ;
            owl:withRestrictions ( [ xsd:pattern "^p[\\-]\\d+" ] ) ] ;
    rdfs:subPropertyOf chemrof:inchi_sublayer ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:mass a owl:DatatypeProperty ;
    rdfs:label "mass" ;
    dcterms:title "mass" ;
    rdfs:range xsd:float ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:mode_of_formation a owl:DatatypeProperty ;
    rdfs:label "mode_of_formation" ;
    dcterms:title "mode of formation" ;
    rdfs:domain chemrof:Isotope ;
    rdfs:range xsd:string ;
    rdfs:subPropertyOf chemrof:chemical_property ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:neutron_number a owl:DatatypeProperty ;
    rdfs:label "neutron_number" ;
    dcterms:title "neutron number" ;
    rdfs:domain chemrof:Atom ;
    rdfs:range xsd:int ;
    rdfs:subPropertyOf chemrof:subatomic_particle_count ;
    skos:altLabel "N" ;
    skos:definition "number of neutrons in an atom" ;
    skos:inScheme <https://w3id.org/chemrof> ;
    skos:mappingRelation CHEMINF:000078 .

chemrof:occurrence_of a owl:ObjectProperty ;
    rdfs:label "occurrence_of" ;
    dcterms:title "occurrence of" ;
    rdfs:range chemrof:Atom ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:owl_subclass_of a owl:ObjectProperty ;
    rdfs:label "owl_subclass_of" ;
    dcterms:title "owl subclass of" ;
    rdfs:domain chemrof:OwlClass ;
    rdfs:range chemrof:OwlClass ;
    rdfs:subPropertyOf chemrof:classification_relationship ;
    skos:altLabel "is a" ;
    skos:definition "Holds between C and P if C owl:subClassOf P. Note that in this model, most classes are metaclasses (see 'owl class'), where these metaclasses may represent *groupings* or specific countable elements or species. We provide two different sub-properties of subclass of for two cases: (1) subtype_of, which connects grouping classes (e.g. alkane is_a hydrocarbon; alpha-amino-acid is_a amino-acid), (2) classified_by, which connects a specific element to a grouping class (e.g. methane is_a hydrocarbon; iron is_a metal; serine is_a amino-acid)" ;
    skos:exactMatch rdfs:subClassOf ;
    skos:inScheme <https://w3id.org/chemrof> ;
    skos:narrowMatch bo:family .

chemrof:score a owl:DatatypeProperty ;
    rdfs:label "score" ;
    dcterms:title "score" ;
    rdfs:range xsd:float ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:symbol a owl:DatatypeProperty ;
    rdfs:label "symbol" ;
    dcterms:title "symbol" ;
    rdfs:range xsd:string ;
    rdfs:subPropertyOf chemrof:information_property ;
    skos:definition "short symbol for chemical entity, e.g. K, C-16" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:ChemicalRelationship a owl:Class ;
    rdfs:label "ChemicalRelationship" ;
    dcterms:title "chemical relationship" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:onProperty linkml:mixins ;
            owl:someValuesFrom chemrof:OwlClass ],
        linkml:ClassDefinition ;
    skos:closeMatch biolink:Association ;
    skos:definition "A reified relationship" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:DomainEntity a owl:Class ;
    rdfs:label "DomainEntity" ;
    dcterms:title "domain entity" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:allValuesFrom xsd:string ;
            owl:onProperty chemrof:name ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:name ],
        [ a owl:Restriction ;
            owl:minCardinality 1 ;
            owl:onProperty chemrof:id ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:type ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:id ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:name ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:anyURI ;
            owl:onProperty chemrof:type ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:type ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:string ;
            owl:onProperty chemrof:id ],
        linkml:ClassDefinition ;
    skos:definition "A discrete, specific named entity in the domain of chemistry." ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:conjugate_acid_of a owl:DatatypeProperty ;
    rdfs:label "conjugate_acid_of" ;
    dcterms:title "conjugate acid of" ;
    rdfs:seeAlso <https://academic.oup.com/nar/article/36/suppl_1/D344/2506390> ;
    rdfs:subPropertyOf chemrof:direct_conjugatated_form_of,
        chemrof:has_higher_charge_from ;
    owl:inverseOf chemrof:conjugate_base_of ;
    skos:altLabel "is conjugate acid of (chebi)" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:has_major_microspecies_at_pH7_3 a owl:ObjectProperty ;
    rdfs:label "has_major_microspecies_at_pH7_3" ;
    dcterms:title "has physiologically stable form" ;
    rdfs:range chemrof:ChemicalEntity ;
    rdfs:seeAlso <https://ftp.expasy.org/databases/rhea/tsv/chebi_pH7_3_mapping.tsv> ;
    rdfs:subPropertyOf chemrof:acid_form_of ;
    owl:inverseOf chemrof:major_microspecies_at_pH7_3_of ;
    skos:altLabel "has Ph 7.3 mapping",
        "protonation neutral form of" ;
    skos:definition "Links different variants of the same chemical in different protonation states, where the target of this link is the (predicited) to be most common protonation state for this chemical at a pH of 7.3. This link may point to it's source. Connects an acid to the form that is stable at physiological pH (7.3). E.g. citric acid has physiological base citrate(3-)" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:smiles_string a owl:DatatypeProperty ;
    rdfs:label "smiles_string" ;
    dcterms:title "smiles string" ;
    rdfs:subPropertyOf chemrof:chemical_formula ;
    skos:definition "A string encoding of a molecular graph, no chiral or isotopic information. There are usually a large number of valid SMILES which represent a given structure. For example, CCO, OCC and C(O)C all specify the structure of ethanol." ;
    skos:exactMatch CHEMINF:000018 ;
    skos:inScheme <https://w3id.org/chemrof> ;
    skos:note "a problematic set of structures to describe using SMILES notation is those which cannot be easily described using molecular graphs (see “Limitations of molecular graph representations” section), such as organometallic compounds and ionic salts." .

xsd:anyURI a rdfs:Datatype .

chemrof:AtomOccurrence a owl:Class ;
    rdfs:label "AtomOccurrence" ;
    dcterms:title "atom occurrence" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:allValuesFrom xsd:integer ;
            owl:onProperty chemrof:oxidation_number ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:formal_charge ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:coordination_number ],
        [ a owl:Restriction ;
            owl:onProperty linkml:mixins ;
            owl:someValuesFrom chemrof:OwlClass ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:coordination_number ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:oxidation_number ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:integer ;
            owl:onProperty chemrof:coordination_number ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:string ;
            owl:onProperty chemrof:name ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:integer ;
            owl:onProperty chemrof:formal_charge ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:occurrence_of ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:oxidation_number ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:name ],
        [ a owl:Restriction ;
            owl:minCardinality 1 ;
            owl:onProperty chemrof:name ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:Atom ;
            owl:onProperty chemrof:occurrence_of ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:valence ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:formal_charge ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:integer ;
            owl:onProperty chemrof:valence ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:valence ],
        [ a owl:Restriction ;
            owl:minCardinality 1 ;
            owl:onProperty chemrof:occurrence_of ],
        chemrof:ChemicalRelationship ;
    skos:definition "An occurrence of an atom in the context of a particular molecule. For example, one of two occurrences of oxygen in nitrate" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:ChemicalElement a owl:Class ;
    rdfs:label "ChemicalElement" ;
    dcterms:title "chemical element" ;
    rdfs:seeAlso Wikipedia:Chemical_element ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:monoisotopic_mass ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:standard_atomic_weight ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:PeriodicTableBlockEnum ;
            owl:onProperty chemrof:in_periodic_table_block ],
        [ a owl:Restriction ;
            owl:allValuesFrom [ a rdfs:Datatype ;
                    owl:onDatatype xsd:string ;
                    owl:withRestrictions ( [ xsd:pattern "^[A-Z][a-z]*" ] ) ] ;
            owl:onProperty chemrof:symbol ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:symbol ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:melting_point_in_celcius ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:in_periodic_table_block ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:standard_atomic_weight ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:in_periodic_table_block ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:ChemicalElement ;
            owl:onProperty chemrof:has_major_microspecies_at_pH7_3 ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:float ;
            owl:onProperty chemrof:boiling_point_in_celcius ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:boiling_point_in_celcius ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:boiling_point_in_celcius ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:in_periodic_table_group ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:float ;
            owl:onProperty chemrof:melting_point_in_celcius ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:symbol ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:melting_point_in_celcius ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:float ;
            owl:onProperty chemrof:standard_atomic_weight ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:float ;
            owl:onProperty chemrof:monoisotopic_mass ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:mass ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:string ;
            owl:onProperty chemrof:electron_configuration ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:int ;
            owl:onProperty chemrof:in_periodic_table_group ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:mass ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:monoisotopic_mass ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:has_stereocenter ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:Stereocenter ;
            owl:onProperty chemrof:has_stereocenter ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:float ;
            owl:onProperty chemrof:mass ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:has_major_microspecies_at_pH7_3 ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:in_periodic_table_group ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:electron_configuration ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:has_major_microspecies_at_pH7_3 ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:electron_configuration ],
        chemrof:PartiallySpecifiedAtom ;
    owl:hasKey ( chemrof:atomic_number ),
        ( chemrof:atomic_number ) ;
    skos:altLabel "element",
        "generic atom" ;
    skos:definition "generic form of an atom, with unspecified neutron or charge" ;
    skos:exactMatch gc:Element,
        wd:Q11344 ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:ClassificationLevelEnum a owl:Class ;
    rdfs:label "ClassificationLevelEnum" ;
    dcterms:title "classification_level_enum" ;
    rdfs:subClassOf linkml:EnumDefinition ;
    owl:unionOf ( <https://w3id.org/chemrof/ClassificationLevelEnum#Uncategorized> <https://w3id.org/chemrof/ClassificationLevelEnum#Class> <https://w3id.org/chemrof/ClassificationLevelEnum#Species> <https://w3id.org/chemrof/ClassificationLevelEnum#Category> <https://w3id.org/chemrof/ClassificationLevelEnum#Subspecies> <https://w3id.org/chemrof/ClassificationLevelEnum#StructuralSubspecies> <https://w3id.org/chemrof/ClassificationLevelEnum#IsomericSubspecies> <https://w3id.org/chemrof/ClassificationLevelEnum#MolecularSubspecies> ) ;
    skos:inScheme <https://w3id.org/chemrof> ;
    linkml:permissible_values <https://w3id.org/chemrof/ClassificationLevelEnum#Category>,
        <https://w3id.org/chemrof/ClassificationLevelEnum#Class>,
        <https://w3id.org/chemrof/ClassificationLevelEnum#IsomericSubspecies>,
        <https://w3id.org/chemrof/ClassificationLevelEnum#MolecularSubspecies>,
        <https://w3id.org/chemrof/ClassificationLevelEnum#Species>,
        <https://w3id.org/chemrof/ClassificationLevelEnum#StructuralSubspecies>,
        <https://w3id.org/chemrof/ClassificationLevelEnum#Subspecies>,
        <https://w3id.org/chemrof/ClassificationLevelEnum#Uncategorized> .

chemrof:MolecularComponent a owl:Class ;
    rdfs:label "MolecularComponent" ;
    dcterms:title "molecular component" ;
    rdfs:subClassOf chemrof:PolyatomicEntity ;
    skos:altLabel "molecular part",
        "submolecule" ;
    skos:definition "A proper part of a molecule that is larger than an atom" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:PeriodicTableBlockEnum a owl:Class ;
    rdfs:label "PeriodicTableBlockEnum" ;
    dcterms:title "periodic_table_block_enum" ;
    rdfs:subClassOf linkml:EnumDefinition ;
    owl:unionOf ( CHEBI:33674 CHEBI:33675 CHEBI:33561 CHEBI:33562 <https://w3id.org/chemrof/PeriodicTableBlockEnum#g-block> ) ;
    skos:inScheme <https://w3id.org/chemrof> ;
    linkml:permissible_values CHEBI:33561,
        CHEBI:33562,
        CHEBI:33674,
        CHEBI:33675,
        <https://w3id.org/chemrof/PeriodicTableBlockEnum#g-block> .

<https://w3id.org/chemrof/ReactionTypeEnum#bond_formation> a owl:Class ;
    rdfs:label "bond_formation" ;
    rdfs:subClassOf chemrof:ReactionTypeEnum,
        linkml:PermissibleValue ;
    skos:definition "Reactions that create new bonds between atoms or groups" .

chemrof:conjugate_base_of a owl:DatatypeProperty ;
    rdfs:label "conjugate_base_of" ;
    dcterms:title "conjugate base of" ;
    rdfs:seeAlso <https://academic.oup.com/nar/article/36/suppl_1/D344/2506390> ;
    rdfs:subPropertyOf chemrof:direct_conjugatated_form_of,
        chemrof:has_lower_charge_from ;
    skos:altLabel "is conjugate base of (chebi)" ;
    skos:definition "connects the base form of an acid to an acid. Also connects the different charge states of the base. Example: the different charge states of lactate (CHEBI:24996) conjugate base of lactic acid (CHEBI:28358)" ;
    skos:editorialNote "sometimes chebi hops over a state skipping an intermediate" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:information_property a owl:DatatypeProperty ;
    rdfs:label "information_property" ;
    dcterms:title "information property" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:ElementFamilyEnum a owl:Class ;
    rdfs:label "ElementFamilyEnum" ;
    dcterms:title "element_family_enum" ;
    rdfs:subClassOf linkml:EnumDefinition ;
    owl:unionOf ( <https://w3id.org/chemrof/ElementFamilyEnum#Alkali_Earth> <https://w3id.org/chemrof/ElementFamilyEnum#Alkaline_Earth> <https://w3id.org/chemrof/ElementFamilyEnum#Halogen> <https://w3id.org/chemrof/ElementFamilyEnum#Metalloids> <https://w3id.org/chemrof/ElementFamilyEnum#Noblegas> <https://w3id.org/chemrof/ElementFamilyEnum#Non-Metal> <https://w3id.org/chemrof/ElementFamilyEnum#Other_Metal> <https://w3id.org/chemrof/ElementFamilyEnum#Rare_Earth> <https://w3id.org/chemrof/ElementFamilyEnum#Transition> ) ;
    skos:closeMatch bo:family ;
    skos:inScheme <https://w3id.org/chemrof> ;
    linkml:permissible_values <https://w3id.org/chemrof/ElementFamilyEnum#Alkali_Earth>,
        <https://w3id.org/chemrof/ElementFamilyEnum#Alkaline_Earth>,
        <https://w3id.org/chemrof/ElementFamilyEnum#Halogen>,
        <https://w3id.org/chemrof/ElementFamilyEnum#Metalloids>,
        <https://w3id.org/chemrof/ElementFamilyEnum#Noblegas>,
        <https://w3id.org/chemrof/ElementFamilyEnum#Non-Metal>,
        <https://w3id.org/chemrof/ElementFamilyEnum#Other_Metal>,
        <https://w3id.org/chemrof/ElementFamilyEnum#Rare_Earth>,
        <https://w3id.org/chemrof/ElementFamilyEnum#Transition> .

chemrof:Macromolecule a owl:Class ;
    rdfs:label "Macromolecule" ;
    dcterms:title "macromolecule" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:has_submolecules ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:Molecule ;
            owl:onProperty chemrof:has_submolecules ],
        chemrof:Molecule ;
    skos:definition "A large molecule, such as a polymer, lipid, or macrocycle" ;
    skos:exactMatch Wikipedia:Macromolecule ;
    skos:inScheme <https://w3id.org/chemrof> ;
    skos:note "check on classification of lipids" .

chemrof:MoleculeByChargeState a owl:Class ;
    rdfs:label "MoleculeByChargeState" ;
    dcterms:title "molecule by charge state" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:acidity ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:bronsted_acid_base_role ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:bronsted_acid_base_role ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:hard_or_soft ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:acidity ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:float ;
            owl:onProperty chemrof:acidity ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:MoleculeByChargeState ;
            owl:onProperty chemrof:acid_form_of ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:hard_or_soft ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:BronstedAcidBaseRoleEnum ;
            owl:onProperty chemrof:bronsted_acid_base_role ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:HardOrSoftEnum ;
            owl:onProperty chemrof:hard_or_soft ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:acid_form_of ],
        chemrof:Molecule ;
    skos:altLabel "chargeomer" ;
    skos:definition "A molecule that has a charge state specified" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:MoleculeGroupingClass a owl:Class ;
    rdfs:label "MoleculeGroupingClass" ;
    dcterms:title "molecule grouping class" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:allValuesFrom chemrof:Molecule ;
            owl:onProperty chemrof:classifies ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:subtype_of ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:classifies ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:classifies ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:MoleculeGroupingClass ;
            owl:onProperty chemrof:subtype_of ],
        chemrof:ChemicalGroupingClass ;
    skos:definition "A grouping class that classifies molecules. Example: carbohydrate, monosaccharide, amino acid, polyacrylamide" ;
    skos:inScheme <https://w3id.org/chemrof> ;
    skos:note "Molecular grouping classes are typically defined by elemental composition and structure as well as chemical properties",
        "Unlike an actual molecule, a molecule grouping class will not have an inchi or properties such as mass" .

chemrof:chemical_representation a owl:DatatypeProperty ;
    rdfs:label "chemical_representation" ;
    dcterms:title "chemical representation" ;
    rdfs:domain chemrof:ChemicalEntity ;
    rdfs:range xsd:string ;
    rdfs:subPropertyOf chemrof:information_property ;
    skos:altLabel "has chemical encoding" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:derivative_of a owl:ObjectProperty ;
    rdfs:label "derivative_of" ;
    dcterms:title "derivative of" ;
    rdfs:range chemrof:DomainEntity ;
    rdfs:subPropertyOf chemrof:alternate_form_of ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:has_anionic_component a owl:DatatypeProperty ;
    rdfs:label "has_anionic_component" ;
    dcterms:title "has anionic component" ;
    rdfs:subPropertyOf chemrof:has_ionic_component ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:has_cationic_component a owl:DatatypeProperty ;
    rdfs:label "has_cationic_component" ;
    dcterms:title "has cationic component" ;
    rdfs:subPropertyOf chemrof:has_ionic_component ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:has_element a owl:ObjectProperty ;
    rdfs:label "has_element" ;
    dcterms:title "has element" ;
    rdfs:range chemrof:ChemicalElement ;
    rdfs:subPropertyOf chemrof:alternate_form_of ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:has_sequence_representation a owl:DatatypeProperty ;
    rdfs:label "has_sequence_representation" ;
    dcterms:title "has sequence representation" ;
    rdfs:range xsd:string ;
    rdfs:subPropertyOf chemrof:chemical_representation ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:id a owl:DatatypeProperty ;
    rdfs:label "id" ;
    dcterms:title "id" ;
    rdfs:subPropertyOf chemrof:information_property ;
    skos:inScheme <https://w3id.org/chemrof> ;
    skos:mappingRelation schema1:identifier .

chemrof:inchi_charge_sublayer a owl:DatatypeProperty ;
    rdfs:label "inchi_charge_sublayer" ;
    dcterms:title "inchi charge sublayer" ;
    rdfs:range [ a rdfs:Datatype ;
            owl:onDatatype xsd:string ;
            owl:withRestrictions ( [ xsd:pattern "^q.*" ] ) ] ;
    rdfs:subPropertyOf chemrof:inchi_sublayer ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:inchi_chemical_sublayer a owl:DatatypeProperty ;
    rdfs:label "inchi_chemical_sublayer" ;
    dcterms:title "inchi chemical sublayer" ;
    rdfs:range [ a rdfs:Datatype ;
            owl:onDatatype xsd:string ;
            owl:withRestrictions ( [ xsd:pattern "^[A-Z0-9\\.]+$" ] ) ] ;
    rdfs:subPropertyOf chemrof:inchi_sublayer_in_main_layer ;
    skos:definition "The part of an InChI string that represents the chemical formula, occurring after the version string. E.g. C6H12O6 for glucose" ;
    skos:inScheme <https://w3id.org/chemrof> ;
    skos:note "Coordination Complexes: In coordination chemistry, dots can separate the metal complex from its counterions or ligands that are not directly bonded to the metal center. For example, \"[Co(NH₃)₆]Cl₃\" indicates a complex of cobalt with six ammonia ligands, and the three chloride ions are counterions. If written as \"[Co(NH₃)₆]·3Cl\", it would similarly denote the presence of three chloride ions associated with the complex, though this notation is less common",
        "Molecular Assemblies: For certain supramolecular structures or assemblies, dots might be used to indicate a non-covalent association of components. This usage is less common and more context-dependent",
        "Salt Formulations: Dots can also be used to denote the proportions in which different components are combined to form a salt. For instance, \"CaCl₂·2AgNO₃\" would suggest a complex formed from one unit of calcium chloride and two units of silver nitrate, though this particular example is more illustrative than practical.",
        "in the case of hydrates, the dot separates the formula of the compound from the water molecules. For example, CuSO₄·5H₂O represents copper(II) sulfate pentahydrate, indicating that there are five water molecules associated with each copper(II) sulfate unit in the crystal." ;
    chemrof:inchi.index 2 .

chemrof:inchi_hydrogen_connections_sublayer a owl:DatatypeProperty ;
    rdfs:label "inchi_hydrogen_connections_sublayer" ;
    dcterms:title "inchi hydrogen connections sublayer" ;
    rdfs:range [ a rdfs:Datatype ;
            owl:onDatatype xsd:string ;
            owl:withRestrictions ( [ xsd:pattern "^h.*" ] ) ] ;
    rdfs:subPropertyOf chemrof:inchi_sublayer_in_main_layer ;
    skos:definition "Describes how many hydrogen atoms are connected to each of the other atoms." ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:inchi_isotopic_layer a owl:DatatypeProperty ;
    rdfs:label "inchi_isotopic_layer" ;
    dcterms:title "inchi isotopic layer" ;
    rdfs:range [ a rdfs:Datatype ;
            owl:onDatatype xsd:string ;
            owl:withRestrictions ( [ xsd:pattern "^[ih].*" ] ) ] ;
    rdfs:subPropertyOf chemrof:inchi_sublayer ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:inchi_stereochemical_double_bond_sublayer a owl:DatatypeProperty ;
    rdfs:label "inchi_stereochemical_double_bond_sublayer" ;
    dcterms:title "inchi stereochemical double bond sublayer" ;
    rdfs:range [ a rdfs:Datatype ;
            owl:onDatatype xsd:string ;
            owl:withRestrictions ( [ xsd:pattern "^b.*" ] ) ] ;
    rdfs:subPropertyOf chemrof:inchi_sublayer ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:inchi_sublayer a owl:DatatypeProperty ;
    rdfs:label "inchi_sublayer" ;
    dcterms:title "inchi sublayer" ;
    rdfs:seeAlso <https://www.inchi-trust.org/wp/wp-content/uploads/2014/05/techfaq_4.2.png> ;
    rdfs:subPropertyOf chemrof:inchi_component ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:alternate_form_of a owl:ObjectProperty ;
    rdfs:label "alternate_form_of" ;
    dcterms:title "alternate form of" ;
    rdfs:domain chemrof:ChemicalEntity ;
    rdfs:range chemrof:ChemicalEntity ;
    rdfs:subPropertyOf chemrof:chemical_to_chemical_relationship ;
    skos:definition "A relationship between two entities of the same type" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:polymer_of a owl:ObjectProperty ;
    rdfs:label "polymer_of" ;
    dcterms:title "polymer of" ;
    rdfs:range chemrof:Macromolecule ;
    rdfs:subPropertyOf chemrof:has_part ;
    skos:exactMatch CHEBI:60027,
        wd:P4600 ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:NanostructureMorphologyEnum a owl:Class ;
    rdfs:label "NanostructureMorphologyEnum" ;
    dcterms:title "nanostructure_morphology_enum" ;
    rdfs:subClassOf linkml:EnumDefinition ;
    owl:unionOf ( CHEBI:50796 CHEBI:50803 CHEBI:50805 CHEBI:50806 CHEBI:50853 CHEBI:52518 CHEBI:52529 CHEBI:52530 CHEBI:52531 CHEBI:52593 ) ;
    skos:inScheme <https://w3id.org/chemrof> ;
    linkml:permissible_values CHEBI:50796,
        CHEBI:50803,
        CHEBI:50805,
        CHEBI:50806,
        CHEBI:50853,
        CHEBI:52518,
        CHEBI:52529,
        CHEBI:52530,
        CHEBI:52531,
        CHEBI:52593 .

chemrof:has_repeat_unit a owl:ObjectProperty ;
    rdfs:label "has_repeat_unit" ;
    dcterms:title "has repeat unit" ;
    rdfs:range chemrof:ChemicalEntity ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:inchi_atom_connections_sublayer a owl:DatatypeProperty ;
    rdfs:label "inchi_atom_connections_sublayer" ;
    dcterms:title "inchi atom connections sublayer" ;
    rdfs:range [ a rdfs:Datatype ;
            owl:onDatatype xsd:string ;
            owl:withRestrictions ( [ xsd:pattern "^c.*" ] ) ] ;
    rdfs:subPropertyOf chemrof:inchi_sublayer_in_main_layer ;
    skos:definition "The atoms in the chemical formula (except for hydrogens) are numbered in sequence; this sublayer describes which atoms are connected by bonds to which other ones." ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:inchi_stereochemical_type_sublayer a owl:DatatypeProperty ;
    rdfs:label "inchi_stereochemical_type_sublayer" ;
    dcterms:title "inchi stereochemical type sublayer" ;
    rdfs:range [ a rdfs:Datatype ;
            owl:onDatatype xsd:string ;
            owl:withRestrictions ( [ xsd:pattern "^s.*" ] ) ] ;
    rdfs:subPropertyOf chemrof:inchi_sublayer ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:inchi_tetrahedral_stereochemical_sublayer a owl:DatatypeProperty ;
    rdfs:label "inchi_tetrahedral_stereochemical_sublayer" ;
    dcterms:title "inchi tetrahedral stereochemical sublayer" ;
    rdfs:range [ a rdfs:Datatype ;
            owl:onDatatype xsd:string ;
            owl:withRestrictions ( [ xsd:pattern "^[tm].*" ] ) ] ;
    rdfs:subPropertyOf chemrof:inchi_sublayer ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:chemical_formula a owl:DatatypeProperty ;
    rdfs:label "chemical_formula" ;
    dcterms:title "chemical formula" ;
    rdfs:domain chemrof:ChemicalEntity ;
    rdfs:range xsd:string ;
    rdfs:subPropertyOf chemrof:chemical_representation ;
    skos:definition "A generic grouping for molecular formulae and empirical formulae" ;
    skos:inScheme <https://w3id.org/chemrof> ;
    skos:mappingRelation <http://identifiers.org/edam/data_0846>,
        schema1:hasRepresentation .

chemrof:Atom a owl:Class ;
    rdfs:label "Atom" ;
    dcterms:title "atom" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:atomic_number ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:SubatomicParticleOccurrence ;
            owl:onProperty chemrof:has_nuclear_parts ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:symbol ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:symbol ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:name ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:string ;
            owl:onProperty chemrof:symbol ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:int ;
            owl:onProperty chemrof:atomic_number ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:has_part ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:has_part ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:name ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:has_nuclear_parts ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:has_nuclear_parts ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:atomic_number ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:string ;
            owl:onProperty chemrof:name ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:SubatomicParticle ;
            owl:onProperty chemrof:has_part ],
        chemrof:ChemicalEntity ;
    skos:altLabel "atomic species",
        "chemical species of an element" ;
    skos:definition "A chemical entity consisting of exactly one atomic nucleus and the electron(s) orbiting it." ;
    skos:exactMatch CHEBI:33250,
        SIO:010003 ;
    skos:inScheme <https://w3id.org/chemrof> ;
    skos:mappingRelation COB:0000011,
        SIO:010044 ;
    skos:note "{'chemical species of an element': 'Specific form of an element defined as to isotopic composition, electronic or oxidation state, and/or complex or molecular structure https://goldbook.iupac.org/terms/view/CT06859'}" .

xsd:int a rdfs:Datatype .

chemrof:BondTypeEnum a owl:Class ;
    rdfs:label "BondTypeEnum" ;
    dcterms:title "bond_type_enum" ;
    rdfs:subClassOf linkml:EnumDefinition ;
    owl:unionOf ( gc:NormalBond gc:AromaticBond gc:Single gc:Double gc:Triple gc:Quadruple gc:HydrogenBond <https://w3id.org/chemrof/BondTypeEnum#ionic> <https://w3id.org/chemrof/BondTypeEnum#polycentric> <https://w3id.org/chemrof/BondTypeEnum#metal-metal> <https://w3id.org/chemrof/BondTypeEnum#salt%20bridge> <https://w3id.org/chemrof/BondTypeEnum#polar%20covalent> <https://w3id.org/chemrof/BondTypeEnum#sigma> ) ;
    skos:inScheme <https://w3id.org/chemrof> ;
    linkml:permissible_values gc:AromaticBond,
        gc:Double,
        gc:HydrogenBond,
        gc:NormalBond,
        gc:Quadruple,
        gc:Single,
        gc:Triple,
        <https://w3id.org/chemrof/BondTypeEnum#ionic>,
        <https://w3id.org/chemrof/BondTypeEnum#metal-metal>,
        <https://w3id.org/chemrof/BondTypeEnum#polar%20covalent>,
        <https://w3id.org/chemrof/BondTypeEnum#polycentric>,
        <https://w3id.org/chemrof/BondTypeEnum#salt%20bridge>,
        <https://w3id.org/chemrof/BondTypeEnum#sigma> .

chemrof:OwlClass a owl:Class ;
    rdfs:label "OwlClass" ;
    dcterms:title "owl class" ;
    rdfs:subClassOf <https://w3id.org/linkml/ClassDefinition#Mixin> ;
    skos:altLabel "metaclass",
        "second order class",
        "species" ;
    skos:closeMatch skos:Concept ;
    skos:definition "instances of this class mixin are OWL Classes" ;
    skos:exactMatch owl:Class,
        wd:Q24017414 ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:has_part a owl:DatatypeProperty ;
    rdfs:label "has_part" ;
    dcterms:title "has part" ;
    rdfs:subPropertyOf chemrof:chemical_to_chemical_relationship ;
    skos:definition "basic parthood relations" ;
    skos:exactMatch RO:0002131 ;
    skos:inScheme <https://w3id.org/chemrof> ;
    skos:mappingRelation BFO:0000050,
        schema1:hasBioChemEntityPart .

chemrof:Isotope a owl:Class ;
    rdfs:label "Isotope" ;
    dcterms:title "isotope" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:decay_product ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:int ;
            owl:onProperty chemrof:neutron_number ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:decay_mode ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:has_element ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:decay_mode ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:isotope_of ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:string ;
            owl:onProperty chemrof:decay_mode ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:Isotope ;
            owl:onProperty chemrof:isotope_of ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:has_element ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:int ;
            owl:onProperty chemrof:half_life ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:isotope_of ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:ChemicalElement ;
            owl:onProperty chemrof:has_element ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:Isotope ;
            owl:onProperty chemrof:decay_product ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:string ;
            owl:onProperty chemrof:mode_of_formation ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:string ;
            owl:onProperty chemrof:decay_energy ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:decay_energy ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:half_life ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:decay_product ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:half_life ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:mode_of_formation ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:mode_of_formation ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:neutron_number ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:decay_energy ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:neutron_number ],
        chemrof:Nuclide ;
    skos:definition "A specific subtype of an atom with a specified neutron number" ;
    skos:exactMatch wd:Q25276 ;
    skos:inScheme <https://w3id.org/chemrof> ;
    skos:note "Wikidata has isotope as a subclass of nuclide, but nuclide has no instances that are not isotope instances." .

chemrof:molecular_property a owl:DatatypeProperty ;
    rdfs:label "molecular_property" ;
    dcterms:title "molecular property" ;
    rdfs:subPropertyOf chemrof:chemical_property ;
    skos:exactMatch FIX:0000276 ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:chemical_property a owl:DatatypeProperty ;
    rdfs:label "chemical_property" ;
    dcterms:title "chemical property" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:subtype_of a owl:ObjectProperty ;
    rdfs:label "subtype_of" ;
    dcterms:title "subtype of" ;
    rdfs:domain chemrof:OwlClass ;
    rdfs:range chemrof:OwlClass ;
    rdfs:subPropertyOf chemrof:chemical_to_chemical_relationship,
        chemrof:owl_subclass_of ;
    skos:altLabel "metasubclass of" ;
    skos:definition "A subtype_of relationship holds between C and P if C is a more specialized form of P. Here C and P denotes instances of OWL classes, where C and P both function as grouping class" ;
    skos:exactMatch wd:P2445 ;
    skos:inScheme <https://w3id.org/chemrof> ;
    skos:narrowMatch rdfs:subClassOf .

chemrof:ReactionTypeEnum a owl:Class ;
    rdfs:label "ReactionTypeEnum" ;
    dcterms:title "reaction_type_enum" ;
    rdfs:subClassOf linkml:EnumDefinition ;
    owl:unionOf ( RXNO:0000057 <https://w3id.org/chemrof/ReactionTypeEnum#bond_formation> <https://w3id.org/chemrof/ReactionTypeEnum#bond_breaking> RXNO:0000012 RXNO:0000037 RXNO:0000016 RXNO:0000018 RXNO:0000019 RXNO:0000041 RXNO:0000005 MOP:0000627 RXNO:0000656 <https://w3id.org/chemrof/ReactionTypeEnum#ring_opening> RXNO:0000619 RXNO:0000331 RXNO:0000025 <https://w3id.org/chemrof/ReactionTypeEnum#functional_group_addition> <https://w3id.org/chemrof/ReactionTypeEnum#aromatic_heterocycle_formation> <https://w3id.org/chemrof/ReactionTypeEnum#protection> <https://w3id.org/chemrof/ReactionTypeEnum#deprotection> <https://w3id.org/chemrof/ReactionTypeEnum#resolution> ) ;
    skos:definition "Classification of chemical reactions based on mechanistic and functional categories" ;
    skos:inScheme <https://w3id.org/chemrof> ;
    linkml:permissible_values MOP:0000627,
        RXNO:0000005,
        RXNO:0000012,
        RXNO:0000016,
        RXNO:0000018,
        RXNO:0000019,
        RXNO:0000025,
        RXNO:0000037,
        RXNO:0000041,
        RXNO:0000057,
        RXNO:0000331,
        RXNO:0000619,
        RXNO:0000656,
        <https://w3id.org/chemrof/ReactionTypeEnum#aromatic_heterocycle_formation>,
        <https://w3id.org/chemrof/ReactionTypeEnum#bond_breaking>,
        <https://w3id.org/chemrof/ReactionTypeEnum#bond_formation>,
        <https://w3id.org/chemrof/ReactionTypeEnum#deprotection>,
        <https://w3id.org/chemrof/ReactionTypeEnum#functional_group_addition>,
        <https://w3id.org/chemrof/ReactionTypeEnum#protection>,
        <https://w3id.org/chemrof/ReactionTypeEnum#resolution>,
        <https://w3id.org/chemrof/ReactionTypeEnum#ring_opening> .

chemrof:classifies a owl:DatatypeProperty ;
    rdfs:label "classifies" ;
    dcterms:title "classifies" ;
    rdfs:subPropertyOf chemrof:chemical_to_chemical_relationship ;
    owl:inverseOf chemrof:classified_by ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:elemental_charge a owl:DatatypeProperty ;
    rdfs:label "elemental_charge" ;
    dcterms:title "elemental charge" ;
    rdfs:domain chemrof:ChemicalEntity ;
    rdfs:range xsd:integer ;
    rdfs:subPropertyOf chemrof:property_of_atom ;
    skos:definition "number of protons minus number of electrons" ;
    skos:inScheme <https://w3id.org/chemrof> ;
    skos:mappingRelation CHEMINF:000120 .

chemrof:name a owl:DatatypeProperty ;
    rdfs:label "name" ;
    dcterms:title "name" ;
    rdfs:range xsd:string ;
    rdfs:subPropertyOf chemrof:information_property ;
    skos:closeMatch bo:symbol ;
    skos:definition "name of chemical entity. E.g. nickel, carbon-16" ;
    skos:inScheme <https://w3id.org/chemrof> .

chemrof:ChemicalEntity a owl:Class ;
    rdfs:label "ChemicalEntity" ;
    dcterms:title "chemical entity" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:inchi_charge_sublayer ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:pka_ionic_strength ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:pka_solvent ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:smiles_string ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:water_solubility ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:inchi_stereochemical_double_bond_sublayer ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:pka_ionization_constant ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:float ;
            owl:onProperty chemrof:pka_ionic_strength ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:water_solubility ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:inchi_hydrogen_connections_sublayer ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:pka_temperature ],
        [ a owl:Restriction ;
            owl:allValuesFrom [ a rdfs:Datatype ;
                    owl:onDatatype xsd:string ;
                    owl:withRestrictions ( [ xsd:pattern "^c.*" ] ) ] ;
            owl:onProperty chemrof:inchi_atom_connections_sublayer ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:string ;
            owl:onProperty chemrof:IUPAC_name ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:smiles_string ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:float ;
            owl:onProperty chemrof:pka_ionization_constant ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:float ;
            owl:onProperty chemrof:water_solubility ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:inchi_charge_sublayer ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:has_major_microspecies_at_pH7_3 ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:ChemicalRole ;
            owl:onProperty chemrof:has_chemical_role ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:inchi_tetrahedral_stereochemical_sublayer ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:IUPAC_name ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:pka_ionic_strength ],
        [ a owl:Restriction ;
            owl:allValuesFrom [ a rdfs:Datatype ;
                    owl:onDatatype xsd:string ;
                    owl:withRestrictions ( [ xsd:pattern "^s.*" ] ) ] ;
            owl:onProperty chemrof:inchi_stereochemical_type_sublayer ],
        [ a owl:Restriction ;
            owl:allValuesFrom [ a rdfs:Datatype ;
                    owl:onDatatype xsd:string ;
                    owl:withRestrictions ( [ xsd:pattern "^h.*" ] ) ] ;
            owl:onProperty chemrof:inchi_hydrogen_connections_sublayer ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:inchi_string ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:inchi_isotopic_layer ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:has_major_microspecies_at_pH7_3 ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:float ;
            owl:onProperty chemrof:pka_temperature ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:is_radical ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:empirical_formula ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:inchi_string ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:inchi_stereochemical_type_sublayer ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:inchi_hydrogen_connections_sublayer ],
        [ a owl:Restriction ;
            owl:allValuesFrom [ a rdfs:Datatype ;
                    owl:onDatatype xsd:string ;
                    owl:withRestrictions ( [ xsd:pattern "^[A-Z0-9\\.]+$" ] ) ] ;
            owl:onProperty chemrof:inchi_chemical_sublayer ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:has_chemical_role ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:string ;
            owl:onProperty chemrof:inchi_string ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:ChemicalEntity ;
            owl:onProperty chemrof:has_major_microspecies_at_pH7_3 ],
        [ a owl:Restriction ;
            owl:allValuesFrom [ a rdfs:Datatype ;
                    owl:onDatatype xsd:string ;
                    owl:withRestrictions ( [ xsd:pattern "^[tm].*" ] ) ] ;
            owl:onProperty chemrof:inchi_tetrahedral_stereochemical_sublayer ],
        [ a owl:Restriction ;
            owl:allValuesFrom [ a rdfs:Datatype ;
                    owl:onDatatype xsd:string ;
                    owl:withRestrictions ( [ xsd:pattern "^q.*" ] ) ] ;
            owl:onProperty chemrof:inchi_charge_sublayer ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:inchi_atom_connections_sublayer ],
        [ a owl:Restriction ;
            owl:onProperty linkml:mixins ;
            owl:someValuesFrom chemrof:OwlClass ],
        [ a owl:Restriction ;
            owl:allValuesFrom [ a rdfs:Datatype ;
                    owl:onDatatype xsd:string ;
                    owl:withRestrictions ( [ xsd:pattern "^p[\\-]\\d+" ] ) ] ;
            owl:onProperty chemrof:inchi_proton_sublayer ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:inchi_atom_connections_sublayer ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:inchi_proton_sublayer ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:IUPAC_name ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:pka_solvent ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:molecular_mass ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:has_chemical_role ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:is_radical ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:boolean ;
            owl:onProperty chemrof:is_radical ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:inchi_tetrahedral_stereochemical_sublayer ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:string ;
            owl:onProperty chemrof:pka_solvent ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:pka_pressure ],
        [ a owl:Restriction ;
            owl:allValuesFrom [ a rdfs:Datatype ;
                    owl:onDatatype xsd:string ;
                    owl:withRestrictions ( [ xsd:pattern "^b.*" ] ) ] ;
            owl:onProperty chemrof:inchi_stereochemical_double_bond_sublayer ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:pka_temperature ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:inchi_chemical_sublayer ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:inchi_stereochemical_double_bond_sublayer ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:empirical_formula ],
        [ a owl:Restriction ;
            owl:allValuesFrom [ a rdfs:Datatype ;
                    owl:onDatatype xsd:string ;
                    owl:withRestrictions ( [ xsd:pattern "^[ih].*" ] ) ] ;
            owl:onProperty chemrof:inchi_isotopic_layer ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:inchi_chemical_sublayer ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:inchi_proton_sublayer ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:molecular_mass ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:inchi_isotopic_layer ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:float ;
            owl:onProperty chemrof:molecular_mass ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:string ;
            owl:onProperty chemrof:empirical_formula ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:inchi_stereochemical_type_sublayer ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:string ;
            owl:onProperty chemrof:smiles_string ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:pka_pressure ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:float ;
            owl:onProperty chemrof:pka_pressure ],
        chemrof:PhysicochemicalEntity ;
    owl:hasKey ( chemrof:smiles_string ) ;
    skos:altLabel "chemical",
        "chemical species",
        "specific chemical entity" ;
    skos:definition "A discrete structure that is one or more atoms that can be described by a chemical formula." ;
    skos:exactMatch BFO:0000040,
        CHEBI:24431,
        SIO:010004,
        wdeschema:E239 ;
    skos:inScheme <https://w3id.org/chemrof> ;
    skos:mappingRelation CHEBI:24431,
        CHEMINF:000000,
        OntoRxn:ChemSpecies ;
    skos:note "Does not encompass chemical grouping classes, such as \"amino acid\". Use the class ChemicalGrouping for this.",
        "In common chemical usage generic and specific chemical names (such as radical or hydroxide ion) or chemical formulae refer either to a chemical species or to a molecular entity[https://goldbook.iupac.org/terms/view/CT01038]" .

chemrof:Molecule a owl:Class ;
    rdfs:label "Molecule" ;
    dcterms:title "molecule" ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:has_part ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:Molecule ;
            owl:onProperty chemrof:has_submolecules ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:has_submolecules ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:is_organic ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:AtomicBond ;
            owl:onProperty chemrof:has_bonds ],
        [ a owl:Restriction ;
            owl:allValuesFrom xsd:boolean ;
            owl:onProperty chemrof:is_organic ],
        [ a owl:Restriction ;
            owl:onProperty linkml:mixins ;
            owl:someValuesFrom chemrof:FullyCovalentlyBonded ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:is_organic ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:has_part ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:has_atom_occurrences ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:has_atoms ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:AtomOccurrence ;
            owl:onProperty chemrof:has_atom_occurrences ],
        [ a owl:Restriction ;
            owl:allValuesFrom [ a rdfs:Datatype ;
                    owl:onDatatype xsd:integer ;
                    owl:withRestrictions ( [ xsd:minInclusive 1 ] ) ] ;
            owl:onProperty chemrof:has_part ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:has_bonds ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:Atom ;
            owl:onProperty chemrof:has_atoms ],
        chemrof:PolyatomicEntity ;
    skos:altLabel "molecular entity",
        "monomolecular entity" ;
    skos:definition "A chemical entity that consists of two or more atoms where all atoms are connected via covalent bonds." ;
    skos:exactMatch CHEBI:25367,
        biotop:MonoMolecularEntity,
        gc:Molecule,
        SIO:011125 ;
    skos:inScheme <https://w3id.org/chemrof> ;
    skos:mappingRelation COB:0000013 .

chemrof:SubatomicParticleEnum a owl:Class ;
    rdfs:label "SubatomicParticleEnum" ;
    dcterms:title "subatomic_particle_enum" ;
    rdfs:subClassOf linkml:EnumDefinition ;
    owl:unionOf ( CHEBI:24636 CHEBI:30216 CHEBI:36354 CHEBI:30225 CHEBI:36356 CHEBI:36365 CHEBI:36341 CHEBI:36340 CHEBI:36339 CHEBI:36371 CHEBI:15378 CHEBI:36353 CHEBI:36347 CHEBI:36350 CHEBI:36348 CHEBI:33253 CHEBI:29234 CHEBI:29233 CHEBI:36352 CHEBI:36345 CHEBI:36346 CHEBI:146278 CHEBI:33233 CHEBI:30223 CHEBI:36342 CHEBI:36355 CHEBI:30212 CHEBI:36366 CHEBI:30214 CHEBI:36368 CHEBI:36375 CHEBI:36351 CHEBI:36344 CHEBI:36370 CHEBI:36343 CHEBI:10545 CHEBI:30222 CHEBI:36338 CHEBI:30220 CHEBI:36369 CHEBI:36367 CHEBI:36349 ) ;
    skos:inScheme <https://w3id.org/chemrof> ;
    linkml:permissible_values CHEBI:10545,
        CHEBI:146278,
        CHEBI:15378,
        CHEBI:24636,
        CHEBI:29233,
        CHEBI:29234,
        CHEBI:30212,
        CHEBI:30214,
        CHEBI:30216,
        CHEBI:30220,
        CHEBI:30222,
        CHEBI:30223,
        CHEBI:30225,
        CHEBI:33233,
        CHEBI:33253,
        CHEBI:36338,
        CHEBI:36339,
        CHEBI:36340,
        CHEBI:36341,
        CHEBI:36342,
        CHEBI:36343,
        CHEBI:36344,
        CHEBI:36345,
        CHEBI:36346,
        CHEBI:36347,
        CHEBI:36348,
        CHEBI:36349,
        CHEBI:36350,
        CHEBI:36351,
        CHEBI:36352,
        CHEBI:36353,
        CHEBI:36354,
        CHEBI:36355,
        CHEBI:36356,
        CHEBI:36365,
        CHEBI:36366,
        CHEBI:36367,
        CHEBI:36368,
        CHEBI:36369,
        CHEBI:36370,
        CHEBI:36371,
        CHEBI:36375 .

chemrof:type a owl:DatatypeProperty ;
    rdfs:label "type" ;
    dcterms:title "type" ;
    rdfs:range xsd:anyURI ;
    skos:inScheme <https://w3id.org/chemrof> .

xsd:string a rdfs:Datatype .

<https://w3id.org/chemrof> a owl:Ontology ;
    rdfs:label "chemrof" ;
    dcterms:license "https://creativecommons.org/publicdomain/zero/1.0/" ;
    dcterms:title "Chemical Entities Mixtures and Reactions Ontological Framework" ;
    pav:version "0.0.1" ;
    skos:definition """A data model for managing information about chemical entities, ranging from atoms through molecules to complex mixtures.
Aspects of this have been cribbed from various sources including CHEBI, SIO, Wikipedia/Wikidata, the NCATS Translator Chemical Working Group, but all mistakes are my own.
For full context/motivation see the [GitHub repo](https://github.com/chemkg/chemrof).""" .

[] a owl:Restriction ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:allValuesFrom [ a rdfs:Datatype ;
                    owl:onDatatype xsd:integer ;
                    owl:withRestrictions ( [ xsd:minInclusive 1 ] ) ] ;
            owl:onProperty chemrof:elemental_charge ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:elemental_charge ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:elemental_charge ] ;
    owl:onProperty linkml:mixins ;
    owl:someValuesFrom chemrof:CationState .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:Macromolecule ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:Macromolecule .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:Zwitterion ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:Zwitterion .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:MolecularCation ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:MolecularCation .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:Mineral ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:Mineral .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:MonomolecularPolymer ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:MonomolecularPolymer .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:Homopolymer ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:Homopolymer .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:ChemicalElement ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:ChemicalElement .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:ChemicalMixture ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:ChemicalMixture .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:Isobar ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:Isobar .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:PolyatomicEntity ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:PolyatomicEntity .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:Atom ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:Atom .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:Ester ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:Ester .

[] a owl:Restriction ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:inchi_hydrogen_connections_sublayer ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:inchi_hydrogen_connections_sublayer ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:inchi_atom_connections_sublayer ],
        [ a owl:Restriction ;
            owl:allValuesFrom [ a rdfs:Datatype ;
                    owl:onDatatype xsd:string ;
                    owl:withRestrictions ( [ xsd:pattern "^c.*" ] ) ] ;
            owl:onProperty chemrof:inchi_atom_connections_sublayer ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:inchi_atom_connections_sublayer ],
        [ a owl:Restriction ;
            owl:allValuesFrom [ a rdfs:Datatype ;
                    owl:onDatatype xsd:string ;
                    owl:withRestrictions ( [ xsd:pattern "^h.*" ] ) ] ;
            owl:onProperty chemrof:inchi_hydrogen_connections_sublayer ] ;
    owl:onProperty linkml:mixins ;
    owl:someValuesFrom chemrof:EntityWithConnectivitySpecificied .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:SequenceInterval ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:SequenceInterval .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:RNASequenceInterval ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:RNASequenceInterval .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:Isotope ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:Isotope .

[] a owl:Restriction ;
    owl:onProperty linkml:mixins ;
    owl:someValuesFrom chemrof:WeaklyBonded .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:NaturalProduct ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:NaturalProduct .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:NetUnchargedMolecule ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:NetUnchargedMolecule .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:PreciseChemicalMixture ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:PreciseChemicalMixture .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:NucleotideSequenceInterval ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:NucleotideSequenceInterval .

[] a owl:Restriction ;
    owl:onProperty linkml:mixins ;
    owl:someValuesFrom chemrof:ChemicalEntityOrGrouping .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:Protein ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:Protein .

[] a owl:Restriction ;
    owl:onProperty linkml:mixins ;
    owl:someValuesFrom chemrof:Charged .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:PolyatomicIon ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:PolyatomicIon .

[] a owl:Restriction ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:owl_subclass_of ],
        [ a owl:Restriction ;
            owl:allValuesFrom chemrof:OwlClass ;
            owl:onProperty chemrof:owl_subclass_of ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:owl_subclass_of ] ;
    owl:onProperty linkml:mixins ;
    owl:someValuesFrom chemrof:OwlClass .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:AtomAnion ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:AtomAnion .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:SupramolecularPolymer ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:SupramolecularPolymer .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:Peptide ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:Peptide .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:ImpreciseChemicalMixture ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:ImpreciseChemicalMixture .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:IsomeraseReaction ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:IsomeraseReaction .

[] a owl:Restriction ;
    owl:onProperty linkml:mixins ;
    owl:someValuesFrom chemrof:State .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:PolymerPart ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:PolymerPart .

[] a owl:Restriction ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:allValuesFrom [ a rdfs:Datatype ;
                    owl:onDatatype xsd:integer ;
                    owl:withRestrictions ( [ xsd:maxInclusive -1 ] ) ] ;
            owl:onProperty chemrof:elemental_charge ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:elemental_charge ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:elemental_charge ] ;
    owl:onProperty linkml:mixins ;
    owl:someValuesFrom chemrof:AnionState .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:Enantiomer ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:Enantiomer .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:MoleculeByChargeState ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:MoleculeByChargeState .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:PartiallySpecifiedAtom ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:PartiallySpecifiedAtom .

[] a owl:Restriction ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:allValuesFrom [ a rdfs:Datatype ;
                    owl:onDatatype xsd:string ;
                    owl:withRestrictions ( [ xsd:pattern "^q.*" ] ) ] ;
            owl:onProperty chemrof:inchi_charge_sublayer ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:inchi_charge_sublayer ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:inchi_charge_sublayer ] ;
    owl:onProperty linkml:mixins ;
    owl:someValuesFrom chemrof:EntityWithChargeSpecified .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:Copolymer ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:Copolymer .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:SubatomicParticle ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:SubatomicParticle .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:Moiety ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:Moiety .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:Radionuclide ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:Radionuclide .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:MolecularComplex ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:MolecularComplex .

[] a owl:Restriction ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:inchi_tetrahedral_stereochemical_sublayer ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:inchi_tetrahedral_stereochemical_sublayer ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:inchi_stereochemical_double_bond_sublayer ],
        [ a owl:Restriction ;
            owl:allValuesFrom [ a rdfs:Datatype ;
                    owl:onDatatype xsd:string ;
                    owl:withRestrictions ( [ xsd:pattern "^b.*" ] ) ] ;
            owl:onProperty chemrof:inchi_stereochemical_double_bond_sublayer ],
        [ a owl:Restriction ;
            owl:allValuesFrom [ a rdfs:Datatype ;
                    owl:onDatatype xsd:string ;
                    owl:withRestrictions ( [ xsd:pattern "^s.*" ] ) ] ;
            owl:onProperty chemrof:inchi_stereochemical_type_sublayer ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:inchi_stereochemical_type_sublayer ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:inchi_stereochemical_type_sublayer ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:inchi_stereochemical_double_bond_sublayer ],
        [ a owl:Restriction ;
            owl:allValuesFrom [ a rdfs:Datatype ;
                    owl:onDatatype xsd:string ;
                    owl:withRestrictions ( [ xsd:pattern "^[tm].*" ] ) ] ;
            owl:onProperty chemrof:inchi_tetrahedral_stereochemical_sublayer ] ;
    owl:onProperty linkml:mixins ;
    owl:someValuesFrom chemrof:EntityWithStereochemistrySpecified .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:Nuclide ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:Nuclide .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:AminoAcidSequenceInterval ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:AminoAcidSequenceInterval .

[] a owl:Restriction ;
    owl:onProperty linkml:mixins ;
    owl:someValuesFrom chemrof:FullyCovalentlyBonded .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:NonSpeciesMolecule ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:NonSpeciesMolecule .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:RacemicMixture ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:RacemicMixture .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:Glycan ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:Glycan .

[] a owl:Restriction ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:inchi_isotopic_layer ],
        [ a owl:Restriction ;
            owl:allValuesFrom [ a rdfs:Datatype ;
                    owl:onDatatype xsd:string ;
                    owl:withRestrictions ( [ xsd:pattern "^[ih].*" ] ) ] ;
            owl:onProperty chemrof:inchi_isotopic_layer ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:inchi_isotopic_layer ] ;
    owl:onProperty linkml:mixins ;
    owl:someValuesFrom chemrof:EntityWithIsotopeSpecified .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:Monomer ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:Monomer .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:DomainEntity ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:DomainEntity .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:MolecularSubsequence ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:MolecularSubsequence .

[] a owl:Restriction ;
    owl:onProperty linkml:mixins ;
    owl:someValuesFrom chemrof:Connectivity .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:Reaction ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:Reaction .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:FunctionalGroup ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:FunctionalGroup .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:MolecularComponent ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:MolecularComponent .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:PhysicochemicalEntity ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:PhysicochemicalEntity .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:Stereoisomer ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:Stereoisomer .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:MonoatomicIon ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:MonoatomicIon .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:MolecularAnion ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:MolecularAnion .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:UnchargedAtom ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:UnchargedAtom .

[] a owl:Restriction ;
    owl:onProperty linkml:mixins ;
    owl:someValuesFrom chemrof:SpecificityMixin .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:ChemicalGroup ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:ChemicalGroup .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:ChemicalEntity ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:ChemicalEntity .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:AtomIonicForm ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:AtomIonicForm .

[] a owl:Restriction ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:allValuesFrom xsd:integer ;
            owl:onProperty chemrof:elemental_charge ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:elemental_charge ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:elemental_charge ] ;
    owl:onProperty linkml:mixins ;
    owl:someValuesFrom chemrof:ChargeState .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:Molecule ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:Molecule .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:AtomCation ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:AtomCation .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:DNASequenceInterval ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:DNASequenceInterval .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:MolecularSpecies ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:MolecularSpecies .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:FullySpecifiedAtom ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:FullySpecifiedAtom .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:NeutralMolecule ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:NeutralMolecule .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:Allotrope ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:Allotrope .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:SmallMolecule ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:SmallMolecule .

[] a owl:Restriction ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:elemental_charge ],
        [ a owl:Restriction ;
            owl:allValuesFrom [ a rdfs:Datatype ;
                    owl:intersectionOf ( [ a rdfs:Datatype ;
                                owl:onDatatype xsd:integer ;
                                owl:withRestrictions ( [ xsd:minInclusive 0 ] ) ] [ a rdfs:Datatype ;
                                owl:onDatatype xsd:integer ;
                                owl:withRestrictions ( [ xsd:maxInclusive 0 ] ) ] ) ] ;
            owl:onProperty chemrof:elemental_charge ],
        [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:elemental_charge ] ;
    owl:onProperty linkml:mixins ;
    owl:someValuesFrom chemrof:Uncharged .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:Nanomaterial ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:Nanomaterial .

[] a owl:Restriction ;
    rdfs:subClassOf [ a owl:Restriction ;
            owl:maxCardinality 1 ;
            owl:onProperty chemrof:inchi_chemical_sublayer ],
        [ a owl:Restriction ;
            owl:minCardinality 0 ;
            owl:onProperty chemrof:inchi_chemical_sublayer ],
        [ a owl:Restriction ;
            owl:allValuesFrom [ a rdfs:Datatype ;
                    owl:onDatatype xsd:string ;
                    owl:withRestrictions ( [ xsd:pattern "^[A-Z0-9\\.]+$" ] ) ] ;
            owl:onProperty chemrof:inchi_chemical_sublayer ] ;
    owl:onProperty linkml:mixins ;
    owl:someValuesFrom chemrof:EntityWithAtomsEnumerated .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:Material ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:Material .

[] a owl:Restriction ;
    rdfs:subClassOf chemrof:ChemicalSalt ;
    owl:onProperty chemrof:type ;
    owl:someValuesFrom chemrof:ChemicalSalt .