PREFIX ontospecies: <http://www.theworldavatar.com/ontology/ontospecies/OntoSpecies.owl#>
PREFIX rdf: <http://www.w3.org/1999/02/22-rdf-syntax-ns#>
PREFIX rdfs: <http://www.w3.org/2000/01/rdf-schema#>
PREFIX xsd: <http://www.w3.org/2001/XMLSchema#>

<http://www.theworldavatar.com/ontology/ontokin/OntoKin.owl#ElementNumber> a rdfs:Class ;
  rdfs:comment "A combined representation of a number indicating the amount of an element in a species and the element." .

<http://www.theworldavatar.com/ontology/ontokin/OntoKin.owl#hasNumberOfElement> a rdf:Property ;
  rdfs:comment "A number that indicates the amount of an element in a species." ;
  rdfs:domain <http://www.theworldavatar.com/ontology/ontokin/OntoKin.owl#ElementNumber> ;
  rdfs:range xsd:integer .

<http://www.theworldavatar.com/ontology/ontokin/OntoKin.owl#indicatesNumberOf> a rdf:Property ;
  rdfs:comment "A relation that defines the number of atoms of a given element contained in a species or molecular entity." ;
  rdfs:domain <http://www.theworldavatar.com/ontology/ontokin/OntoKin.owl#ElementNumber> ;
  rdfs:range <http://www.daml.org/2003/01/periodictable/PeriodicTable#Element> .

<http://www.daml.org/2003/01/periodictable/PeriodicTable#Element> a rdfs:Class ;
  rdfs:comment "An atom or isotope." .

<http://purl.org/gc/FloatValue> a rdfs:Class ;
  rdfs:subClassOf <http://purl.org/gc/Value> .

<http://purl.org/gc/hasValue> a rdf:Property ;
  rdfs:domain <http://purl.org/gc/Value> ;
  rdfs:range <https://w3id.org/linkml/Any> .

<http://purl.org/gc/hasUnit> a rdf:Property ;
  rdfs:domain <http://purl.org/gc/Value> ;
  rdfs:range <https://w3id.org/linkml/Any> .

<http://www.theworldavatar.com/ontology/ontokin/OntoKin.owl#Phase> a rdfs:Class .

ontospecies:EmpiricalFormula a rdfs:Class ;
  rdfs:comment "A chemical formula that indicates the relative number of each constituting chemical element of a species or molecular entity." .

ontospecies:MolecularFormula a rdfs:Class ;
  rdfs:comment "A chemical compound formula expressing the number of atoms of each element present in a compound, without indicating how they are linked." .

<http://www.theworldavatar.com/ontology/ontokin/OntoKin.owl#hasElement> a rdf:Property ;
  rdfs:comment "A relation that defines that a species or molecular entity contains a chemical element." ;
  rdfs:domain ontospecies:MolecularFormula ;
  rdfs:range <http://www.daml.org/2003/01/periodictable/PeriodicTable#Element> .

<http://www.theworldavatar.com/ontology/ontokin/OntoKin.owl#hasElementNumber> a rdf:Property ;
  rdfs:comment "A relation that defines a combined representation of a number indicating the amount of an element in a species and the element." ;
  rdfs:domain ontospecies:MolecularFormula ;
  rdfs:range <http://www.theworldavatar.com/ontology/ontokin/OntoKin.owl#ElementNumber> .

<http://www.theworldavatar.com/ontology/ontokin/OntoKin.owl#Species> a rdfs:Class .

ontospecies:Weblink a rdfs:Class ;
  rdfs:comment "The address of a web page that describes a resource." .

ontospecies:Species a rdfs:Class ;
  rdfs:comment "\"An ensemble of chemically identical molecular entities\" (McNaught & Wilkinson, 1997)." ;
  rdfs:subClassOf <http://www.theworldavatar.com/ontology/ontokin/OntoKin.owl#Species> .

ontospecies:mass a rdf:Property ;
  rdfs:comment "The combined masses of all atoms of a molecule. In ChEBI, http://purl.obolibrary.org/obo/chebi/mass is defined as an annotation property." ;
  rdfs:domain ontospecies:Species ;
  rdfs:range xsd:float .

ontospecies:dateOfAccess a rdf:Property ;
  rdfs:comment "The date when a web page was accessed." ;
  rdfs:domain ontospecies:Species ;
  rdfs:range xsd:string .

ontospecies:inChI a rdf:Property ;
  rdfs:comment "An identifier designed to codify chemical species, molecules or substances. In ChEBI, http://purl.obolibrary.org/obo/chebi/inchi is defined as an annotation property." ;
  rdfs:domain ontospecies:Species ;
  rdfs:range xsd:string .

ontospecies:pubChemCID a rdf:Property ;
  rdfs:comment "The PubChem Compound Identifier (CID) number taken from their database of chemical molecules and their activities in biological assays. " ;
  rdfs:domain ontospecies:Species ;
  rdfs:range xsd:string .

ontospecies:hasStandardEnthalpyOfFormation a rdf:Property ;
  rdfs:comment "A relation that defines the standard enthalpy of formation of a given species." ;
  rdfs:domain ontospecies:Species ;
  rdfs:range ontospecies:StandardEnthalpyOfFormation .

ontospecies:hasGeometry a rdf:Property ;
  rdfs:comment "The data property that represents the geometry of species." ;
  rdfs:domain ontospecies:Species ;
  rdfs:range xsd:string .

<http://purl.org/gc/hasAtom> a rdf:Property ;
  rdfs:domain ontospecies:Species ;
  rdfs:range <http://purl.org/gc/Atom> .

<http://www.w3.org/2004/02/skos/core#altLabel> a rdf:Property ;
  rdfs:comment "An alternative name of a chemical species, molecule or substance." ;
  rdfs:domain ontospecies:Species ;
  rdfs:range xsd:string .

ontospecies:SMILES a rdf:Property ;
  rdfs:comment "Simplified Molecular Input Line Entry System. A form of line notation for codifying the structure of a chemical species using short ASCII strings.  In ChEBI, http://purl.obolibrary.org/obo/chebi/smiles is defined as an annotation property." ;
  rdfs:domain ontospecies:Species ;
  rdfs:range xsd:string .

ontospecies:hasEmpiricalFormula a rdf:Property ;
  rdfs:comment "A relation between a species or molecular entity and the chemical formula describing the relative number of each constituting chemical element of the species or molecular entity." ;
  rdfs:domain ontospecies:Species ;
  rdfs:range ontospecies:EmpiricalFormula .

ontospecies:inChIKey a rdf:Property ;
  rdfs:comment "A fixed-length representation of InChI. In ChEBI, http://purl.obolibrary.org/obo/chebi/inchikey is defined as an annotation property." ;
  rdfs:domain ontospecies:Species ;
  rdfs:range xsd:string .

ontospecies:hasMolecularWeight a rdf:Property ;
  rdfs:comment "A relation between a species or molecular entity and the total mass of one mole of this species or molecular entity in g/mol" ;
  rdfs:domain ontospecies:Species ;
  rdfs:range ontospecies:MolecularWeight .

ontospecies:hasAtomicBond a rdf:Property ;
  rdfs:comment "The data property that represents the bonds between all atoms in a species." ;
  rdfs:domain ontospecies:Species ;
  rdfs:range xsd:string .

ontospecies:casRegistryID a rdf:Property ;
  rdfs:comment "A numerical identifier designed to uniquely identify all chemical substances. Also in PeriodicTable, http://www.daml.org/2003/01/periodictable/PeriodicTable#casRegistryID is defined as a data type property." ;
  rdfs:domain ontospecies:Species ;
  rdfs:range xsd:string .

ontospecies:spinMultiplicity a rdf:Property ;
  rdfs:comment "The spin multiplicity is equal to the number of alpha electrons, minus beta electrons, plus 1." ;
  rdfs:domain ontospecies:Species ;
  rdfs:range xsd:string .

ontospecies:hasMolecularFormula a rdf:Property ;
  rdfs:comment "A relation between a species or molecular entity and the chemical formula describing the number of atoms of each constituting chemical element of the species or molecular entity." ;
  rdfs:domain ontospecies:Species ;
  rdfs:range ontospecies:MolecularFormula .

ontospecies:hasCharge a rdf:Property ;
  rdfs:comment "A relation between a species or molecular entity and the overall net charge of this species or molecular entity in units of elementary charge" ;
  rdfs:domain ontospecies:Species ;
  rdfs:range ontospecies:Charge .

ontospecies:charge a rdf:Property ;
  rdfs:comment "The overall net charge of a molecule. In ChEBI, http://purl.obolibrary.org/obo/chebi/charge is defined as an annotation property." ;
  rdfs:domain ontospecies:Species ;
  rdfs:range xsd:integer .

<http://purl.org/gc/IntegerValue> a rdfs:Class ;
  rdfs:subClassOf <http://purl.org/gc/Value> .

<http://purl.org/gc/Atom> a rdfs:Class .

ontospecies:hasCanonicalPosition a rdf:Property ;
  rdfs:comment "The canonical position of an atom in a species." ;
  rdfs:domain <http://purl.org/gc/Atom> ;
  rdfs:range xsd:integer .

<http://purl.org/gc/hasAtomCoordinateX> a rdf:Property ;
  rdfs:domain <http://purl.org/gc/Atom> ;
  rdfs:range <http://purl.org/gc/FloatValue> .

<http://purl.org/gc/hasAtomCoordinateY> a rdf:Property ;
  rdfs:domain <http://purl.org/gc/Atom> ;
  rdfs:range <http://purl.org/gc/FloatValue> .

<http://purl.org/gc/hasAtomCoordinateZ> a rdf:Property ;
  rdfs:domain <http://purl.org/gc/Atom> ;
  rdfs:range <http://purl.org/gc/FloatValue> .

<http://purl.org/gc/isElement> a rdf:Property ;
  rdfs:domain <http://purl.org/gc/Atom> ;
  rdfs:range <http://www.daml.org/2003/01/periodictable/PeriodicTable#Element> .

<http://purl.org/gc/Value> a rdfs:Class .

ontospecies:StandardEnthalpyOfFormation a rdfs:Class ;
  rdfs:comment "The energy required to form 1 mole of a substance from its constituent elements." .

ontospecies:hasProvenance a rdf:Property ;
  rdfs:comment "A relation between the standard enthalpy of formation and its provenance information." ;
  rdfs:domain ontospecies:StandardEnthalpyOfFormation ;
  rdfs:range <http://www.theworldavatar.com/ontology/ontokin/OntoKin.owl#Reference> .

ontospecies:hasReferenceTemperature a rdf:Property ;
  rdfs:comment "A relation that defines the temperature at which the value of a property is estimated." ;
  rdfs:domain ontospecies:StandardEnthalpyOfFormation ;
  rdfs:range ontospecies:Temperature .

ontospecies:hasPhase a rdf:Property ;
  rdfs:comment "A phase for which the standard enthalpy of formation is defined." ;
  rdfs:domain ontospecies:StandardEnthalpyOfFormation ;
  rdfs:range <http://www.theworldavatar.com/ontology/ontokin/OntoKin.owl#Phase> .

<http://www.theworldavatar.com/ontology/ontokin/OntoKin.owl#Reference> a rdfs:Class .

ontospecies:MolecularWeight a rdfs:Class ;
  rdfs:comment "The mass of one mole of a species in units of g/mol." .

ontospecies:Temperature a rdfs:Class ;
  rdfs:comment "A�measure of the average amount of energy of motion, or kinetic energy, a system contains\" (Chemistry LibreTexts, accessed on 11/11/2019)." .

<http://www.theworldavatar.com/ontology/ontocape/material/substance/substance.owl#ChemicalSpecies> a rdfs:Class .

<https://w3id.org/linkml/Any> a rdfs:Class ;
  rdfs:comment "An unconstrained type or object" .

ontospecies:Charge a rdfs:Class ;
  rdfs:comment "The overall net charge of a molecule or ion in units of elementary charge." .

ontospecies:value a rdf:Property ;
  rdfs:comment "The value of a property. Also in OntoCAPE, http://www.theworldavatar.com/ontology/ontocape/upper_level/system.owl#value is designed as a data type property." ;
  rdfs:range xsd:string .