{"@context":["https://stuchalk.github.io/scidata/contexts/scidata.jsonld","https://stuchalk.github.io/scidata/contexts/chemtwin.jsonld",{"sdo":"https://stuchalk.github.io/scidata/ontology/scidata.owl#","obo":"http://purl.obolibrary.org/obo/","ss":"http://semanticscience.org/resource/","atc":"http://purl.bioontology.org/ontology/ATC/","w3i":"https://w3id.org/skgo/modsci#"},{"@base":"https://scidata.unf.edu/tranche/chalklab/chemtwin/CEWPPNWAHCMRQR-UHFFFAOYSA-M/"}],"@id":"https://scidata.unf.edu/facet/00005726","generatedAt":"2022-12-10 00:44:41.371136","version":2,"@graph":{"@id":"https://scidata.unf.edu/tranche/chalklab/chemtwin/CEWPPNWAHCMRQR-UHFFFAOYSA-M/","@type":"sdo:scidataFramework","uid":"chalklab_chemtwin_CEWPPNWAHCMRQR-UHFFFAOYSA-M","title":"SciData JSON-LD chemical twin file for 3-(4-chlorophenyl)prop-2-ynyl-diethyl-heptylazanium;4-methylbenzenesulfonate","authors":[{"@id":"author/1/","@type":"dc:author","name":"Stuart Chalk","orcid":"0000-0002-0703-7776"}],"description":"Metadata, identifiers, descriptors and molecular graph about a chemical substance","publisher":"Chalk Research Laboratory, University of North Florida","version":"1.1","keywords":["chemical twin","digital twin","chemical substance"],"permalink":"https://scidata.unf.edu/tranche/chalklab/chemtwin/CEWPPNWAHCMRQR-UHFFFAOYSA-M.jsonld","toc":["sdo:scientificData","sdo:system","sdo:compound","dc:source","dc:rights"],"ids":["obo:IAO_0000578","ss:CHEMINF_000123","ss:CHEMINF_000022","obo:NCIT_C1940","obo:CHEBI_25555","ss:SIO_011118","obo:CHEBI_23116","obo:CHEBI_26833","obo:CHEBI_25805","obo:CHEBI_25555","obo:CHEBI_27594","obo:CHEBI_49637"],"scidata":{"@id":"scidata","@type":"sdo:scientificData","discipline":"w3i:Chemistry","system":{"@id":"system/","@type":"sdo:system","facets":[{"@id":"substance/1/","@type":"sdo:substance","name":"3-(4-chlorophenyl)prop-2-ynyl-diethyl-heptylazanium;4-methylbenzenesulfonate","iupacname":"3-(4-chlorophenyl)prop-2-ynyl-diethyl-heptylazanium;4-methylbenzenesulfonate","formula":"C27H38ClNO3S","molweight":492.1,"monoisotopicmass":491.226,"identifiers":{"@id":"identifier/","@type":"obo:IAO_0000578","inchi":"InChI=1S/C20H31ClN.C7H8O3S/c1-4-7-8-9-10-17-22(5-2,6-3)18-11-12-19-13-15-20(21)16-14-19;1-6-2-4-7(5-3-6)11(8,9)10/h13-16H,4-10,17-18H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1","inchikey":"CEWPPNWAHCMRQR-UHFFFAOYSA-M","csmiles":"CC1=CC=C(C=C1)S([O-])(=O)=O.CCCCCCC[N+](CC)(CC)CC#CC1=CC=C(Cl)C=C1","ismiles":"CCCCCCC[N+](CC)(CC)CC#Cc1ccc(Cl)cc1.Cc1ccc(S(=O)(=O)[O-])cc1","pubchem":"72793305"},"descriptors":{"@id":"descriptor/","@type":"ss:CHEMINF_000123","heavy_atom":"33","atom_chiral":"0","bond_chiral":"0","isotope_atom":"0","h_bond_acceptor":"3","h_bond_donor":"0","rotatable_bond":"10","covalent_unit":"2","tautomers":"-1","aromatic_rings":"1","atccode":[],"chemont":["CHEMONTID:0000000","CHEMONTID:0002448","CHEMONTID:0002279","CHEMONTID:0000032","CHEMONTID:0003278","CHEMONTID:0001030","CHEMONTID:0001099","CHEMONTID:0001157","CHEMONTID:0001179","CHEMONTID:0001516","CHEMONTID:0002449","CHEMONTID:0003075","CHEMONTID:0003276","CHEMONTID:0003609","CHEMONTID:0003940","CHEMONTID:0004150","CHEMONTID:0004225","CHEMONTID:0004233"]},"molgraph":{"@id":"molgraph/","@type":"ss:CHEMINF_000022","elements":[{"@id":"element/1/","@type":"obo:NCIT_C1940","name":"Chlorine","element":"obo:CHEBI_23116"},{"@id":"element/2/","@type":"obo:NCIT_C1940","name":"Sulfur","element":"obo:CHEBI_26833"},{"@id":"element/3/","@type":"obo:NCIT_C1940","name":"Oxygen","element":"obo:CHEBI_25805"},{"@id":"element/4/","@type":"obo:NCIT_C1940","name":"Nitrogen","element":"obo:CHEBI_25555"},{"@id":"element/5/","@type":"obo:NCIT_C1940","name":"Carbon","element":"obo:CHEBI_27594"},{"@id":"element/6/","@type":"obo:NCIT_C1940","name":"Hydrogen","element":"obo:CHEBI_49637"}],"atoms":[{"@id":"atom/1/","@type":"obo:CHEBI_33250","element":"element/1/","xcoord":"6.2089","ycoord":"0.0000","zcoord":"0.0000","singlebonds":1},{"@id":"atom/2/","@type":"obo:CHEBI_33250","element":"element/2/","xcoord":"1.4030","ycoord":"7.8285","zcoord":"0.0000","singlebonds":2,"doublebonds":2},{"@id":"atom/3/","@type":"obo:CHEBI_33250","element":"element/3/","xcoord":"1.4030","ycoord":"8.8285","zcoord":"0.0000","singlebonds":1,"charge":"-1"},{"@id":"atom/4/","@type":"obo:CHEBI_33250","element":"element/3/","xcoord":"2.4030","ycoord":"7.8285","zcoord":"0.0000","doublebonds":1},{"@id":"atom/5/","@type":"obo:CHEBI_33250","element":"element/3/","xcoord":"0.4030","ycoord":"7.8285","zcoord":"0.0000","doublebonds":1},{"@id":"atom/6/","@type":"obo:CHEBI_33250","element":"element/4/","xcoord":"7.0749","ycoord":"6.5000","zcoord":"0.0000","singlebonds":4,"charge":"1"},{"@id":"atom/7/","@type":"obo:CHEBI_33250","element":"element/5/","xcoord":"7.9409","ycoord":"7.0000","zcoord":"0.0000","singlebonds":4},{"@id":"atom/8/","@type":"obo:CHEBI_33250","element":"element/5/","xcoord":"6.5749","ycoord":"7.3660","zcoord":"0.0000","singlebonds":4},{"@id":"atom/9/","@type":"obo:CHEBI_33250","element":"element/5/","xcoord":"7.5749","ycoord":"5.6340","zcoord":"0.0000","singlebonds":4},{"@id":"atom/10/","@type":"obo:CHEBI_33250","element":"element/5/","xcoord":"7.9409","ycoord":"8.0000","zcoord":"0.0000","singlebonds":4},{"@id":"atom/11/","@type":"obo:CHEBI_33250","element":"element/5/","xcoord":"6.2089","ycoord":"6.0000","zcoord":"0.0000","singlebonds":4},{"@id":"atom/12/","@type":"obo:CHEBI_33250","element":"element/5/","xcoord":"8.8070","ycoord":"8.5000","zcoord":"0.0000","singlebonds":4},{"@id":"atom/13/","@type":"obo:CHEBI_33250","element":"element/5/","xcoord":"5.5749","ycoord":"7.3660","zcoord":"0.0000","singlebonds":4},{"@id":"atom/14/","@type":"obo:CHEBI_33250","element":"element/5/","xcoord":"8.5749","ycoord":"5.6340","zcoord":"0.0000","singlebonds":4},{"@id":"atom/15/","@type":"obo:CHEBI_33250","element":"element/5/","xcoord":"8.8070","ycoord":"9.5000","zcoord":"0.0000","singlebonds":4},{"@id":"atom/16/","@type":"obo:CHEBI_33250","element":"element/5/","xcoord":"9.6730","ycoord":"10.0000","zcoord":"0.0000","singlebonds":4},{"@id":"atom/17/","@type":"obo:CHEBI_33250","element":"element/5/","xcoord":"6.2089","ycoord":"5.0000","zcoord":"0.0000","singlebonds":1,"triplebonds":1},{"@id":"atom/18/","@type":"obo:CHEBI_33250","element":"element/5/","xcoord":"9.6730","ycoord":"11.0000","zcoord":"0.0000","singlebonds":4},{"@id":"atom/19/","@type":"obo:CHEBI_33250","element":"element/5/","xcoord":"6.2089","ycoord":"4.0000","zcoord":"0.0000","singlebonds":1,"triplebonds":1},{"@id":"atom/20/","@type":"obo:CHEBI_33250","element":"element/5/","xcoord":"10.5390","ycoord":"11.5000","zcoord":"0.0000","singlebonds":4},{"@id":"atom/21/","@type":"obo:CHEBI_33250","element":"element/5/","xcoord":"6.2089","ycoord":"3.0000","zcoord":"0.0000","singlebonds":2,"doublebonds":1},{"@id":"atom/22/","@type":"obo:CHEBI_33250","element":"element/5/","xcoord":"5.3429","ycoord":"2.5000","zcoord":"0.0000","singlebonds":2,"doublebonds":1},{"@id":"atom/23/","@type":"obo:CHEBI_33250","element":"element/5/","xcoord":"7.0749","ycoord":"2.5000","zcoord":"0.0000","singlebonds":2,"doublebonds":1},{"@id":"atom/24/","@type":"obo:CHEBI_33250","element":"element/5/","xcoord":"5.3429","ycoord":"1.5000","zcoord":"0.0000","singlebonds":2,"doublebonds":1},{"@id":"atom/25/","@type":"obo:CHEBI_33250","element":"element/5/","xcoord":"7.0749","ycoord":"1.5000","zcoord":"0.0000","singlebonds":2,"doublebonds":1},{"@id":"atom/26/","@type":"obo:CHEBI_33250","element":"element/5/","xcoord":"6.2089","ycoord":"1.0000","zcoord":"0.0000","singlebonds":2,"doublebonds":1},{"@id":"atom/27/","@type":"obo:CHEBI_33250","element":"element/5/","xcoord":"1.4030","ycoord":"6.8285","zcoord":"0.0000","singlebonds":2,"doublebonds":1},{"@id":"atom/28/","@type":"obo:CHEBI_33250","element":"element/5/","xcoord":"1.4030","ycoord":"4.8285","zcoord":"0.0000","singlebonds":2,"doublebonds":1},{"@id":"atom/29/","@type":"obo:CHEBI_33250","element":"element/5/","xcoord":"2.2690","ycoord":"6.3285","zcoord":"0.0000","singlebonds":2,"doublebonds":1},{"@id":"atom/30/","@type":"obo:CHEBI_33250","element":"element/5/","xcoord":"0.5369","ycoord":"6.3285","zcoord":"0.0000","singlebonds":2,"doublebonds":1},{"@id":"atom/31/","@type":"obo:CHEBI_33250","element":"element/5/","xcoord":"2.2690","ycoord":"5.3285","zcoord":"0.0000","singlebonds":2,"doublebonds":1},{"@id":"atom/32/","@type":"obo:CHEBI_33250","element":"element/5/","xcoord":"0.5369","ycoord":"5.3285","zcoord":"0.0000","singlebonds":2,"doublebonds":1},{"@id":"atom/33/","@type":"obo:CHEBI_33250","element":"element/5/","xcoord":"1.4030","ycoord":"3.8285","zcoord":"0.0000","singlebonds":4},{"@id":"atom/34/","@type":"obo:CHEBI_33250","element":"element/6/","xcoord":"8.1530","ycoord":"6.4174","zcoord":"0.0000","singlebonds":1},{"@id":"atom/35/","@type":"obo:CHEBI_33250","element":"element/6/","xcoord":"8.5515","ycoord":"7.1077","zcoord":"0.0000","singlebonds":1},{"@id":"atom/36/","@type":"obo:CHEBI_33250","element":"element/6/","xcoord":"7.1575","ycoord":"7.5781","zcoord":"0.0000","singlebonds":1},{"@id":"atom/37/","@type":"obo:CHEBI_33250","element":"element/6/","xcoord":"6.4672","ycoord":"7.9766","zcoord":"0.0000","singlebonds":1},{"@id":"atom/38/","@type":"obo:CHEBI_33250","element":"element/6/","xcoord":"6.9923","ycoord":"5.4219","zcoord":"0.0000","singlebonds":1},{"@id":"atom/39/","@type":"obo:CHEBI_33250","element":"element/6/","xcoord":"7.6826","ycoord":"5.0234","zcoord":"0.0000","singlebonds":1},{"@id":"atom/40/","@type":"obo:CHEBI_33250","element":"element/6/","xcoord":"7.7289","ycoord":"8.5826","zcoord":"0.0000","singlebonds":1},{"@id":"atom/41/","@type":"obo:CHEBI_33250","element":"element/6/","xcoord":"7.3304","ycoord":"7.8923","zcoord":"0.0000","singlebonds":1},{"@id":"atom/42/","@type":"obo:CHEBI_33250","element":"element/6/","xcoord":"5.9968","ycoord":"6.5826","zcoord":"0.0000","singlebonds":1},{"@id":"atom/43/","@type":"obo:CHEBI_33250","element":"element/6/","xcoord":"5.5983","ycoord":"5.8923","zcoord":"0.0000","singlebonds":1},{"@id":"atom/44/","@type":"obo:CHEBI_33250","element":"element/6/","xcoord":"9.0190","ycoord":"7.9174","zcoord":"0.0000","singlebonds":1},{"@id":"atom/45/","@type":"obo:CHEBI_33250","element":"element/6/","xcoord":"9.4175","ycoord":"8.6077","zcoord":"0.0000","singlebonds":1},{"@id":"atom/46/","@type":"obo:CHEBI_33250","element":"element/6/","xcoord":"5.5749","ycoord":"7.9860","zcoord":"0.0000","singlebonds":1},{"@id":"atom/47/","@type":"obo:CHEBI_33250","element":"element/6/","xcoord":"4.9549","ycoord":"7.3660","zcoord":"0.0000","singlebonds":1},{"@id":"atom/48/","@type":"obo:CHEBI_33250","element":"element/6/","xcoord":"5.5749","ycoord":"6.7460","zcoord":"0.0000","singlebonds":1},{"@id":"atom/49/","@type":"obo:CHEBI_33250","element":"element/6/","xcoord":"8.5749","ycoord":"5.0140","zcoord":"0.0000","singlebonds":1},{"@id":"atom/50/","@type":"obo:CHEBI_33250","element":"element/6/","xcoord":"9.1949","ycoord":"5.6340","zcoord":"0.0000","singlebonds":1},{"@id":"atom/51/","@type":"obo:CHEBI_33250","element":"element/6/","xcoord":"8.5749","ycoord":"6.2540","zcoord":"0.0000","singlebonds":1},{"@id":"atom/52/","@type":"obo:CHEBI_33250","element":"element/6/","xcoord":"8.5949","ycoord":"10.0826","zcoord":"0.0000","singlebonds":1},{"@id":"atom/53/","@type":"obo:CHEBI_33250","element":"element/6/","xcoord":"8.1964","ycoord":"9.3923","zcoord":"0.0000","singlebonds":1},{"@id":"atom/54/","@type":"obo:CHEBI_33250","element":"element/6/","xcoord":"9.8850","ycoord":"9.4174","zcoord":"0.0000","singlebonds":1},{"@id":"atom/55/","@type":"obo:CHEBI_33250","element":"element/6/","xcoord":"10.2836","ycoord":"10.1077","zcoord":"0.0000","singlebonds":1},{"@id":"atom/56/","@type":"obo:CHEBI_33250","element":"element/6/","xcoord":"9.4609","ycoord":"11.5826","zcoord":"0.0000","singlebonds":1},{"@id":"atom/57/","@type":"obo:CHEBI_33250","element":"element/6/","xcoord":"9.0624","ycoord":"10.8923","zcoord":"0.0000","singlebonds":1},{"@id":"atom/58/","@type":"obo:CHEBI_33250","element":"element/6/","xcoord":"10.8490","ycoord":"10.9631","zcoord":"0.0000","singlebonds":1},{"@id":"atom/59/","@type":"obo:CHEBI_33250","element":"element/6/","xcoord":"11.0759","ycoord":"11.8100","zcoord":"0.0000","singlebonds":1},{"@id":"atom/60/","@type":"obo:CHEBI_33250","element":"element/6/","xcoord":"10.2290","ycoord":"12.0369","zcoord":"0.0000","singlebonds":1},{"@id":"atom/61/","@type":"obo:CHEBI_33250","element":"element/6/","xcoord":"4.8059","ycoord":"2.8100","zcoord":"0.0000","singlebonds":1},{"@id":"atom/62/","@type":"obo:CHEBI_33250","element":"element/6/","xcoord":"7.6118","ycoord":"2.8100","zcoord":"0.0000","singlebonds":1},{"@id":"atom/63/","@type":"obo:CHEBI_33250","element":"element/6/","xcoord":"4.8059","ycoord":"1.1900","zcoord":"0.0000","singlebonds":1},{"@id":"atom/64/","@type":"obo:CHEBI_33250","element":"element/6/","xcoord":"7.6118","ycoord":"1.1900","zcoord":"0.0000","singlebonds":1},{"@id":"atom/65/","@type":"obo:CHEBI_33250","element":"element/6/","xcoord":"2.8059","ycoord":"6.6385","zcoord":"0.0000","singlebonds":1},{"@id":"atom/66/","@type":"obo:CHEBI_33250","element":"element/6/","xcoord":"0.0000","ycoord":"6.6385","zcoord":"0.0000","singlebonds":1},{"@id":"atom/67/","@type":"obo:CHEBI_33250","element":"element/6/","xcoord":"2.8059","ycoord":"5.0185","zcoord":"0.0000","singlebonds":1},{"@id":"atom/68/","@type":"obo:CHEBI_33250","element":"element/6/","xcoord":"0.0000","ycoord":"5.0185","zcoord":"0.0000","singlebonds":1},{"@id":"atom/69/","@type":"obo:CHEBI_33250","element":"element/6/","xcoord":"0.7830","ycoord":"3.8285","zcoord":"0.0000","singlebonds":1},{"@id":"atom/70/","@type":"obo:CHEBI_33250","element":"element/6/","xcoord":"1.4030","ycoord":"3.2085","zcoord":"0.0000","singlebonds":1},{"@id":"atom/71/","@type":"obo:CHEBI_33250","element":"element/6/","xcoord":"2.0230","ycoord":"3.8285","zcoord":"0.0000","singlebonds":1}],"bonds":[{"@id":"bond/1/","@type":"ss:SIO_011118","order":"1","atoms":["atom/1/","atom/26/"]},{"@id":"bond/2/","@type":"ss:SIO_011118","order":"1","atoms":["atom/2/","atom/3/"]},{"@id":"bond/3/","@type":"ss:SIO_011118","order":"2","atoms":["atom/2/","atom/4/"]},{"@id":"bond/4/","@type":"ss:SIO_011118","order":"2","atoms":["atom/2/","atom/5/"]},{"@id":"bond/5/","@type":"ss:SIO_011118","order":"1","atoms":["atom/2/","atom/27/"]},{"@id":"bond/6/","@type":"ss:SIO_011118","order":"1","atoms":["atom/6/","atom/7/"]},{"@id":"bond/7/","@type":"ss:SIO_011118","order":"1","atoms":["atom/6/","atom/8/"]},{"@id":"bond/8/","@type":"ss:SIO_011118","order":"1","atoms":["atom/6/","atom/9/"]},{"@id":"bond/9/","@type":"ss:SIO_011118","order":"1","atoms":["atom/6/","atom/11/"]},{"@id":"bond/10/","@type":"ss:SIO_011118","order":"1","atoms":["atom/7/","atom/10/"]},{"@id":"bond/11/","@type":"ss:SIO_011118","order":"1","atoms":["atom/7/","atom/34/"]},{"@id":"bond/12/","@type":"ss:SIO_011118","order":"1","atoms":["atom/7/","atom/35/"]},{"@id":"bond/13/","@type":"ss:SIO_011118","order":"1","atoms":["atom/8/","atom/13/"]},{"@id":"bond/14/","@type":"ss:SIO_011118","order":"1","atoms":["atom/8/","atom/36/"]},{"@id":"bond/15/","@type":"ss:SIO_011118","order":"1","atoms":["atom/8/","atom/37/"]},{"@id":"bond/16/","@type":"ss:SIO_011118","order":"1","atoms":["atom/9/","atom/14/"]},{"@id":"bond/17/","@type":"ss:SIO_011118","order":"1","atoms":["atom/9/","atom/38/"]},{"@id":"bond/18/","@type":"ss:SIO_011118","order":"1","atoms":["atom/9/","atom/39/"]},{"@id":"bond/19/","@type":"ss:SIO_011118","order":"1","atoms":["atom/10/","atom/12/"]},{"@id":"bond/20/","@type":"ss:SIO_011118","order":"1","atoms":["atom/10/","atom/40/"]},{"@id":"bond/21/","@type":"ss:SIO_011118","order":"1","atoms":["atom/10/","atom/41/"]},{"@id":"bond/22/","@type":"ss:SIO_011118","order":"1","atoms":["atom/11/","atom/17/"]},{"@id":"bond/23/","@type":"ss:SIO_011118","order":"1","atoms":["atom/11/","atom/42/"]},{"@id":"bond/24/","@type":"ss:SIO_011118","order":"1","atoms":["atom/11/","atom/43/"]},{"@id":"bond/25/","@type":"ss:SIO_011118","order":"1","atoms":["atom/12/","atom/15/"]},{"@id":"bond/26/","@type":"ss:SIO_011118","order":"1","atoms":["atom/12/","atom/44/"]},{"@id":"bond/27/","@type":"ss:SIO_011118","order":"1","atoms":["atom/12/","atom/45/"]},{"@id":"bond/28/","@type":"ss:SIO_011118","order":"1","atoms":["atom/13/","atom/46/"]},{"@id":"bond/29/","@type":"ss:SIO_011118","order":"1","atoms":["atom/13/","atom/47/"]},{"@id":"bond/30/","@type":"ss:SIO_011118","order":"1","atoms":["atom/13/","atom/48/"]},{"@id":"bond/31/","@type":"ss:SIO_011118","order":"1","atoms":["atom/14/","atom/49/"]},{"@id":"bond/32/","@type":"ss:SIO_011118","order":"1","atoms":["atom/14/","atom/50/"]},{"@id":"bond/33/","@type":"ss:SIO_011118","order":"1","atoms":["atom/14/","atom/51/"]},{"@id":"bond/34/","@type":"ss:SIO_011118","order":"1","atoms":["atom/15/","atom/16/"]},{"@id":"bond/35/","@type":"ss:SIO_011118","order":"1","atoms":["atom/15/","atom/52/"]},{"@id":"bond/36/","@type":"ss:SIO_011118","order":"1","atoms":["atom/15/","atom/53/"]},{"@id":"bond/37/","@type":"ss:SIO_011118","order":"1","atoms":["atom/16/","atom/18/"]},{"@id":"bond/38/","@type":"ss:SIO_011118","order":"1","atoms":["atom/16/","atom/54/"]},{"@id":"bond/39/","@type":"ss:SIO_011118","order":"1","atoms":["atom/16/","atom/55/"]},{"@id":"bond/40/","@type":"ss:SIO_011118","order":"3","atoms":["atom/17/","atom/19/"]},{"@id":"bond/41/","@type":"ss:SIO_011118","order":"1","atoms":["atom/18/","atom/20/"]},{"@id":"bond/42/","@type":"ss:SIO_011118","order":"1","atoms":["atom/18/","atom/56/"]},{"@id":"bond/43/","@type":"ss:SIO_011118","order":"1","atoms":["atom/18/","atom/57/"]},{"@id":"bond/44/","@type":"ss:SIO_011118","order":"1","atoms":["atom/19/","atom/21/"]},{"@id":"bond/45/","@type":"ss:SIO_011118","order":"1","atoms":["atom/20/","atom/58/"]},{"@id":"bond/46/","@type":"ss:SIO_011118","order":"1","atoms":["atom/20/","atom/59/"]},{"@id":"bond/47/","@type":"ss:SIO_011118","order":"1","atoms":["atom/20/","atom/60/"]},{"@id":"bond/48/","@type":"ss:SIO_011118","order":"2","atoms":["atom/21/","atom/22/"]},{"@id":"bond/49/","@type":"ss:SIO_011118","order":"1","atoms":["atom/21/","atom/23/"]},{"@id":"bond/50/","@type":"ss:SIO_011118","order":"1","atoms":["atom/22/","atom/24/"]},{"@id":"bond/51/","@type":"ss:SIO_011118","order":"1","atoms":["atom/22/","atom/61/"]},{"@id":"bond/52/","@type":"ss:SIO_011118","order":"2","atoms":["atom/23/","atom/25/"]},{"@id":"bond/53/","@type":"ss:SIO_011118","order":"1","atoms":["atom/23/","atom/62/"]},{"@id":"bond/54/","@type":"ss:SIO_011118","order":"2","atoms":["atom/24/","atom/26/"]},{"@id":"bond/55/","@type":"ss:SIO_011118","order":"1","atoms":["atom/24/","atom/63/"]},{"@id":"bond/56/","@type":"ss:SIO_011118","order":"1","atoms":["atom/25/","atom/26/"]},{"@id":"bond/57/","@type":"ss:SIO_011118","order":"1","atoms":["atom/25/","atom/64/"]},{"@id":"bond/58/","@type":"ss:SIO_011118","order":"2","atoms":["atom/27/","atom/29/"]},{"@id":"bond/59/","@type":"ss:SIO_011118","order":"1","atoms":["atom/27/","atom/30/"]},{"@id":"bond/60/","@type":"ss:SIO_011118","order":"2","atoms":["atom/28/","atom/31/"]},{"@id":"bond/61/","@type":"ss:SIO_011118","order":"1","atoms":["atom/28/","atom/32/"]},{"@id":"bond/62/","@type":"ss:SIO_011118","order":"1","atoms":["atom/28/","atom/33/"]},{"@id":"bond/63/","@type":"ss:SIO_011118","order":"1","atoms":["atom/29/","atom/31/"]},{"@id":"bond/64/","@type":"ss:SIO_011118","order":"1","atoms":["atom/29/","atom/65/"]},{"@id":"bond/65/","@type":"ss:SIO_011118","order":"2","atoms":["atom/30/","atom/32/"]},{"@id":"bond/66/","@type":"ss:SIO_011118","order":"1","atoms":["atom/30/","atom/66/"]},{"@id":"bond/67/","@type":"ss:SIO_011118","order":"1","atoms":["atom/31/","atom/67/"]},{"@id":"bond/68/","@type":"ss:SIO_011118","order":"1","atoms":["atom/32/","atom/68/"]},{"@id":"bond/69/","@type":"ss:SIO_011118","order":"1","atoms":["atom/33/","atom/69/"]},{"@id":"bond/70/","@type":"ss:SIO_011118","order":"1","atoms":["atom/33/","atom/70/"]},{"@id":"bond/71/","@type":"ss:SIO_011118","order":"1","atoms":["atom/33/","atom/71/"]}]}}]}},"sources":[{"@id":"source/1/","@type":"dc:source","title":"Chalk Research Group - SciData JSON-LD","url":"https://scidata.unf.edu"}],"rights":[{"@id":"rights/1/","@type":"dc:rights","holder":"Chalk Research Group - University of North Florida","license":"https://creativecommons.org/licenses/by-nc/4.0/"}]}}