{"@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/IZESNAMYASFBLR-UHFFFAOYSA-N/"}],"@id":"https://scidata.unf.edu/facet/00001396","generatedAt":"2022-12-09 10:37:22.668829","version":2,"@graph":{"@id":"https://scidata.unf.edu/tranche/chalklab/chemtwin/IZESNAMYASFBLR-UHFFFAOYSA-N/","@type":"sdo:scidataFramework","uid":"chalklab_chemtwin_IZESNAMYASFBLR-UHFFFAOYSA-N","title":"SciData JSON-LD chemical twin file for 2-(3-fluoronaphthalen-2-yl)-N-[2-fluoro-4-[2-(piperidin-1-ylmethyl)phenyl]phenyl]-5-methylpyrazole-3-carboxamide","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/IZESNAMYASFBLR-UHFFFAOYSA-N.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_24061","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":"2-(3-fluoronaphthalen-2-yl)-N-[2-fluoro-4-[2-(piperidin-1-ylmethyl)phenyl]phenyl]-5-methylpyrazole-3-carboxamide","iupacname":"2-(3-fluoronaphthalen-2-yl)-N-[2-fluoro-4-[2-(piperidin-1-ylmethyl)phenyl]phenyl]-5-methylpyrazole-3-carboxamide","formula":"C33H30F2N4O","molweight":536.6,"monoisotopicmass":536.239,"identifiers":{"@id":"identifier/","@type":"obo:IAO_0000578","inchi":"InChI=1S/C33H30F2N4O/c1-22-17-32(39(37-22)31-20-24-10-4-3-9-23(24)18-29(31)35)33(40)36-30-14-13-25(19-28(30)34)27-12-6-5-11-26(27)21-38-15-7-2-8-16-38/h3-6,9-14,17-20H,2,7-8,15-16,21H2,1H3,(H,36,40)","inchikey":"IZESNAMYASFBLR-UHFFFAOYSA-N","csmiles":"CC1=NN(C(=C1)C(=O)NC1=C(F)C=C(C=C1)C1=CC=CC=C1CN1CCCCC1)C1=CC2=CC=CC=C2C=C1F","ismiles":"Cc1cc(C(=O)Nc2ccc(-c3ccccc3CN3CCCCC3)cc2F)n(-c2cc3ccccc3cc2F)n1","pubchem":"44419098"},"descriptors":{"@id":"descriptor/","@type":"ss:CHEMINF_000123","heavy_atom":"40","atom_chiral":"0","bond_chiral":"0","isotope_atom":"0","h_bond_acceptor":"5","h_bond_donor":"1","rotatable_bond":"6","covalent_unit":"1","tautomers":"-1","aromatic_rings":"5","atccode":[],"chemont":["CHEMONTID:0000000","CHEMONTID:0002448","CHEMONTID:0002279","CHEMONTID:0000285","CHEMONTID:0004712","CHEMONTID:0000023","CHEMONTID:0000041","CHEMONTID:0000185","CHEMONTID:0000323","CHEMONTID:0000347","CHEMONTID:0001031","CHEMONTID:0001100","CHEMONTID:0001517","CHEMONTID:0001663","CHEMONTID:0002239","CHEMONTID:0002622","CHEMONTID:0002673","CHEMONTID:0003899","CHEMONTID:0003940","CHEMONTID:0004139","CHEMONTID:0004144","CHEMONTID:0004150","CHEMONTID:0004207","CHEMONTID:0004817"]},"molgraph":{"@id":"molgraph/","@type":"ss:CHEMINF_000022","elements":[{"@id":"element/1/","@type":"obo:NCIT_C1940","name":"Fluorine","element":"obo:CHEBI_24061"},{"@id":"element/2/","@type":"obo:NCIT_C1940","name":"Oxygen","element":"obo:CHEBI_25805"},{"@id":"element/3/","@type":"obo:NCIT_C1940","name":"Nitrogen","element":"obo:CHEBI_25555"},{"@id":"element/4/","@type":"obo:NCIT_C1940","name":"Carbon","element":"obo:CHEBI_27594"},{"@id":"element/5/","@type":"obo:NCIT_C1940","name":"Hydrogen","element":"obo:CHEBI_49637"}],"atoms":[{"@id":"atom/1/","@type":"obo:CHEBI_33250","element":"element/1/","xcoord":"4.5921","ycoord":"-2.1326","zcoord":"0.0000","singlebonds":1},{"@id":"atom/2/","@type":"obo:CHEBI_33250","element":"element/1/","xcoord":"4.5772","ycoord":"4.4655","zcoord":"0.0000","singlebonds":1},{"@id":"atom/3/","@type":"obo:CHEBI_33250","element":"element/2/","xcoord":"6.1669","ycoord":"1.1108","zcoord":"0.0000","doublebonds":1},{"@id":"atom/4/","@type":"obo:CHEBI_33250","element":"element/3/","xcoord":"10.0905","ycoord":"-1.2567","zcoord":"0.0000","singlebonds":3},{"@id":"atom/5/","@type":"obo:CHEBI_33250","element":"element/3/","xcoord":"4.5772","ycoord":"2.4655","zcoord":"0.0000","singlebonds":3},{"@id":"atom/6/","@type":"obo:CHEBI_33250","element":"element/3/","xcoord":"5.0079","ycoord":"-0.1763","zcoord":"0.0000","singlebonds":3},{"@id":"atom/7/","@type":"obo:CHEBI_33250","element":"element/3/","xcoord":"3.6636","ycoord":"2.8722","zcoord":"0.0000","singlebonds":1,"doublebonds":1},{"@id":"atom/8/","@type":"obo:CHEBI_33250","element":"element/4/","xcoord":"10.2984","ycoord":"-0.2785","zcoord":"0.0000","singlebonds":4},{"@id":"atom/9/","@type":"obo:CHEBI_33250","element":"element/4/","xcoord":"10.8337","ycoord":"-1.9258","zcoord":"0.0000","singlebonds":4},{"@id":"atom/10/","@type":"obo:CHEBI_33250","element":"element/4/","xcoord":"11.2495","ycoord":"0.0305","zcoord":"0.0000","singlebonds":4},{"@id":"atom/11/","@type":"obo:CHEBI_33250","element":"element/4/","xcoord":"11.7847","ycoord":"-1.6168","zcoord":"0.0000","singlebonds":4},{"@id":"atom/12/","@type":"obo:CHEBI_33250","element":"element/4/","xcoord":"11.9926","ycoord":"-0.6386","zcoord":"0.0000","singlebonds":4},{"@id":"atom/13/","@type":"obo:CHEBI_33250","element":"element/4/","xcoord":"9.1394","ycoord":"-1.5657","zcoord":"0.0000","singlebonds":4},{"@id":"atom/14/","@type":"obo:CHEBI_33250","element":"element/4/","xcoord":"8.9315","ycoord":"-2.5438","zcoord":"0.0000","singlebonds":2,"doublebonds":1},{"@id":"atom/15/","@type":"obo:CHEBI_33250","element":"element/4/","xcoord":"7.9805","ycoord":"-2.8528","zcoord":"0.0000","singlebonds":2,"doublebonds":1},{"@id":"atom/16/","@type":"obo:CHEBI_33250","element":"element/4/","xcoord":"9.6747","ycoord":"-3.2130","zcoord":"0.0000","singlebonds":2,"doublebonds":1},{"@id":"atom/17/","@type":"obo:CHEBI_33250","element":"element/4/","xcoord":"7.2373","ycoord":"-2.1837","zcoord":"0.0000","singlebonds":2,"doublebonds":1},{"@id":"atom/18/","@type":"obo:CHEBI_33250","element":"element/4/","xcoord":"7.7726","ycoord":"-3.8310","zcoord":"0.0000","singlebonds":2,"doublebonds":1},{"@id":"atom/19/","@type":"obo:CHEBI_33250","element":"element/4/","xcoord":"9.4668","ycoord":"-4.1911","zcoord":"0.0000","singlebonds":2,"doublebonds":1},{"@id":"atom/20/","@type":"obo:CHEBI_33250","element":"element/4/","xcoord":"8.5157","ycoord":"-4.5001","zcoord":"0.0000","singlebonds":2,"doublebonds":1},{"@id":"atom/21/","@type":"obo:CHEBI_33250","element":"element/4/","xcoord":"6.2863","ycoord":"-2.4927","zcoord":"0.0000","singlebonds":2,"doublebonds":1},{"@id":"atom/22/","@type":"obo:CHEBI_33250","element":"element/4/","xcoord":"7.4452","ycoord":"-1.2056","zcoord":"0.0000","singlebonds":2,"doublebonds":1},{"@id":"atom/23/","@type":"obo:CHEBI_33250","element":"element/4/","xcoord":"5.7510","ycoord":"-0.8455","zcoord":"0.0000","singlebonds":2,"doublebonds":1},{"@id":"atom/24/","@type":"obo:CHEBI_33250","element":"element/4/","xcoord":"5.5431","ycoord":"-1.8236","zcoord":"0.0000","singlebonds":2,"doublebonds":1},{"@id":"atom/25/","@type":"obo:CHEBI_33250","element":"element/4/","xcoord":"6.7021","ycoord":"-0.5364","zcoord":"0.0000","singlebonds":2,"doublebonds":1},{"@id":"atom/26/","@type":"obo:CHEBI_33250","element":"element/4/","xcoord":"4.4727","ycoord":"1.4710","zcoord":"0.0000","singlebonds":2,"doublebonds":1},{"@id":"atom/27/","@type":"obo:CHEBI_33250","element":"element/4/","xcoord":"5.4432","ycoord":"2.9655","zcoord":"0.0000","singlebonds":2,"doublebonds":1},{"@id":"atom/28/","@type":"obo:CHEBI_33250","element":"element/4/","xcoord":"5.2158","ycoord":"0.8018","zcoord":"0.0000","singlebonds":2,"doublebonds":1},{"@id":"atom/29/","@type":"obo:CHEBI_33250","element":"element/4/","xcoord":"7.1753","ycoord":"2.9655","zcoord":"0.0000","singlebonds":2,"doublebonds":1},{"@id":"atom/30/","@type":"obo:CHEBI_33250","element":"element/4/","xcoord":"6.3092","ycoord":"2.4655","zcoord":"0.0000","singlebonds":2,"doublebonds":1},{"@id":"atom/31/","@type":"obo:CHEBI_33250","element":"element/4/","xcoord":"7.1753","ycoord":"3.9655","zcoord":"0.0000","singlebonds":2,"doublebonds":1},{"@id":"atom/32/","@type":"obo:CHEBI_33250","element":"element/4/","xcoord":"3.4945","ycoord":"1.2630","zcoord":"0.0000","singlebonds":2,"doublebonds":1},{"@id":"atom/33/","@type":"obo:CHEBI_33250","element":"element/4/","xcoord":"5.4432","ycoord":"3.9655","zcoord":"0.0000","singlebonds":2,"doublebonds":1},{"@id":"atom/34/","@type":"obo:CHEBI_33250","element":"element/4/","xcoord":"2.9945","ycoord":"2.1291","zcoord":"0.0000","singlebonds":2,"doublebonds":1},{"@id":"atom/35/","@type":"obo:CHEBI_33250","element":"element/4/","xcoord":"6.3092","ycoord":"4.4655","zcoord":"0.0000","singlebonds":2,"doublebonds":1},{"@id":"atom/36/","@type":"obo:CHEBI_33250","element":"element/4/","xcoord":"8.0692","ycoord":"2.4308","zcoord":"0.0000","singlebonds":2,"doublebonds":1},{"@id":"atom/37/","@type":"obo:CHEBI_33250","element":"element/4/","xcoord":"8.0692","ycoord":"4.5001","zcoord":"0.0000","singlebonds":2,"doublebonds":1},{"@id":"atom/38/","@type":"obo:CHEBI_33250","element":"element/4/","xcoord":"2.0000","ycoord":"2.2336","zcoord":"0.0000","singlebonds":4},{"@id":"atom/39/","@type":"obo:CHEBI_33250","element":"element/4/","xcoord":"8.9753","ycoord":"2.9447","zcoord":"0.0000","singlebonds":2,"doublebonds":1},{"@id":"atom/40/","@type":"obo:CHEBI_33250","element":"element/4/","xcoord":"8.9753","ycoord":"3.9863","zcoord":"0.0000","singlebonds":2,"doublebonds":1},{"@id":"atom/41/","@type":"obo:CHEBI_33250","element":"element/5/","xcoord":"10.2121","ycoord":"0.3354","zcoord":"0.0000","singlebonds":1},{"@id":"atom/42/","@type":"obo:CHEBI_33250","element":"element/5/","xcoord":"9.6788","ycoord":"-0.2569","zcoord":"0.0000","singlebonds":1},{"@id":"atom/43/","@type":"obo:CHEBI_33250","element":"element/5/","xcoord":"10.3451","ycoord":"-2.3075","zcoord":"0.0000","singlebonds":1},{"@id":"atom/44/","@type":"obo:CHEBI_33250","element":"element/5/","xcoord":"11.1247","ycoord":"-2.4732","zcoord":"0.0000","singlebonds":1},{"@id":"atom/45/","@type":"obo:CHEBI_33250","element":"element/5/","xcoord":"11.7380","ycoord":"0.4122","zcoord":"0.0000","singlebonds":1},{"@id":"atom/46/","@type":"obo:CHEBI_33250","element":"element/5/","xcoord":"10.9584","ycoord":"0.5779","zcoord":"0.0000","singlebonds":1},{"@id":"atom/47/","@type":"obo:CHEBI_33250","element":"element/5/","xcoord":"11.8710","ycoord":"-2.2308","zcoord":"0.0000","singlebonds":1},{"@id":"atom/48/","@type":"obo:CHEBI_33250","element":"element/5/","xcoord":"12.4043","ycoord":"-1.6384","zcoord":"0.0000","singlebonds":1},{"@id":"atom/49/","@type":"obo:CHEBI_33250","element":"element/5/","xcoord":"12.5675","ycoord":"-0.8709","zcoord":"0.0000","singlebonds":1},{"@id":"atom/50/","@type":"obo:CHEBI_33250","element":"element/5/","xcoord":"12.3212","ycoord":"-0.1128","zcoord":"0.0000","singlebonds":1},{"@id":"atom/51/","@type":"obo:CHEBI_33250","element":"element/5/","xcoord":"9.0532","ycoord":"-0.9517","zcoord":"0.0000","singlebonds":1},{"@id":"atom/52/","@type":"obo:CHEBI_33250","element":"element/5/","xcoord":"8.5198","ycoord":"-1.5440","zcoord":"0.0000","singlebonds":1},{"@id":"atom/53/","@type":"obo:CHEBI_33250","element":"element/5/","xcoord":"10.2643","ycoord":"-3.0214","zcoord":"0.0000","singlebonds":1},{"@id":"atom/54/","@type":"obo:CHEBI_33250","element":"element/5/","xcoord":"7.1829","ycoord":"-4.0226","zcoord":"0.0000","singlebonds":1},{"@id":"atom/55/","@type":"obo:CHEBI_33250","element":"element/5/","xcoord":"9.9275","ycoord":"-4.6060","zcoord":"0.0000","singlebonds":1},{"@id":"atom/56/","@type":"obo:CHEBI_33250","element":"element/5/","xcoord":"8.3868","ycoord":"-5.1066","zcoord":"0.0000","singlebonds":1},{"@id":"atom/57/","@type":"obo:CHEBI_33250","element":"element/5/","xcoord":"6.1574","ycoord":"-3.0992","zcoord":"0.0000","singlebonds":1},{"@id":"atom/58/","@type":"obo:CHEBI_33250","element":"element/5/","xcoord":"8.0349","ycoord":"-1.0140","zcoord":"0.0000","singlebonds":1},{"@id":"atom/59/","@type":"obo:CHEBI_33250","element":"element/5/","xcoord":"6.8310","ycoord":"0.0700","zcoord":"0.0000","singlebonds":1},{"@id":"atom/60/","@type":"obo:CHEBI_33250","element":"element/5/","xcoord":"4.4182","ycoord":"-0.3679","zcoord":"0.0000","singlebonds":1},{"@id":"atom/61/","@type":"obo:CHEBI_33250","element":"element/5/","xcoord":"6.3092","ycoord":"1.8455","zcoord":"0.0000","singlebonds":1},{"@id":"atom/62/","@type":"obo:CHEBI_33250","element":"element/5/","xcoord":"3.2424","ycoord":"0.6966","zcoord":"0.0000","singlebonds":1},{"@id":"atom/63/","@type":"obo:CHEBI_33250","element":"element/5/","xcoord":"6.3092","ycoord":"5.0855","zcoord":"0.0000","singlebonds":1},{"@id":"atom/64/","@type":"obo:CHEBI_33250","element":"element/5/","xcoord":"8.0620","ycoord":"1.8108","zcoord":"0.0000","singlebonds":1},{"@id":"atom/65/","@type":"obo:CHEBI_33250","element":"element/5/","xcoord":"8.0620","ycoord":"5.1201","zcoord":"0.0000","singlebonds":1},{"@id":"atom/66/","@type":"obo:CHEBI_33250","element":"element/5/","xcoord":"2.0648","ycoord":"2.8502","zcoord":"0.0000","singlebonds":1},{"@id":"atom/67/","@type":"obo:CHEBI_33250","element":"element/5/","xcoord":"1.3834","ycoord":"2.2984","zcoord":"0.0000","singlebonds":1},{"@id":"atom/68/","@type":"obo:CHEBI_33250","element":"element/5/","xcoord":"1.9352","ycoord":"1.6170","zcoord":"0.0000","singlebonds":1},{"@id":"atom/69/","@type":"obo:CHEBI_33250","element":"element/5/","xcoord":"9.5110","ycoord":"2.6326","zcoord":"0.0000","singlebonds":1},{"@id":"atom/70/","@type":"obo:CHEBI_33250","element":"element/5/","xcoord":"9.5110","ycoord":"4.2984","zcoord":"0.0000","singlebonds":1}],"bonds":[{"@id":"bond/1/","@type":"ss:SIO_011118","order":"1","atoms":["atom/1/","atom/24/"]},{"@id":"bond/2/","@type":"ss:SIO_011118","order":"1","atoms":["atom/2/","atom/33/"]},{"@id":"bond/3/","@type":"ss:SIO_011118","order":"2","atoms":["atom/3/","atom/28/"]},{"@id":"bond/4/","@type":"ss:SIO_011118","order":"1","atoms":["atom/4/","atom/8/"]},{"@id":"bond/5/","@type":"ss:SIO_011118","order":"1","atoms":["atom/4/","atom/9/"]},{"@id":"bond/6/","@type":"ss:SIO_011118","order":"1","atoms":["atom/4/","atom/13/"]},{"@id":"bond/7/","@type":"ss:SIO_011118","order":"1","atoms":["atom/5/","atom/7/"]},{"@id":"bond/8/","@type":"ss:SIO_011118","order":"1","atoms":["atom/5/","atom/26/"]},{"@id":"bond/9/","@type":"ss:SIO_011118","order":"1","atoms":["atom/5/","atom/27/"]},{"@id":"bond/10/","@type":"ss:SIO_011118","order":"1","atoms":["atom/6/","atom/23/"]},{"@id":"bond/11/","@type":"ss:SIO_011118","order":"1","atoms":["atom/6/","atom/28/"]},{"@id":"bond/12/","@type":"ss:SIO_011118","order":"1","atoms":["atom/6/","atom/60/"]},{"@id":"bond/13/","@type":"ss:SIO_011118","order":"2","atoms":["atom/7/","atom/34/"]},{"@id":"bond/14/","@type":"ss:SIO_011118","order":"1","atoms":["atom/8/","atom/10/"]},{"@id":"bond/15/","@type":"ss:SIO_011118","order":"1","atoms":["atom/8/","atom/41/"]},{"@id":"bond/16/","@type":"ss:SIO_011118","order":"1","atoms":["atom/8/","atom/42/"]},{"@id":"bond/17/","@type":"ss:SIO_011118","order":"1","atoms":["atom/9/","atom/11/"]},{"@id":"bond/18/","@type":"ss:SIO_011118","order":"1","atoms":["atom/9/","atom/43/"]},{"@id":"bond/19/","@type":"ss:SIO_011118","order":"1","atoms":["atom/9/","atom/44/"]},{"@id":"bond/20/","@type":"ss:SIO_011118","order":"1","atoms":["atom/10/","atom/12/"]},{"@id":"bond/21/","@type":"ss:SIO_011118","order":"1","atoms":["atom/10/","atom/45/"]},{"@id":"bond/22/","@type":"ss:SIO_011118","order":"1","atoms":["atom/10/","atom/46/"]},{"@id":"bond/23/","@type":"ss:SIO_011118","order":"1","atoms":["atom/11/","atom/12/"]},{"@id":"bond/24/","@type":"ss:SIO_011118","order":"1","atoms":["atom/11/","atom/47/"]},{"@id":"bond/25/","@type":"ss:SIO_011118","order":"1","atoms":["atom/11/","atom/48/"]},{"@id":"bond/26/","@type":"ss:SIO_011118","order":"1","atoms":["atom/12/","atom/49/"]},{"@id":"bond/27/","@type":"ss:SIO_011118","order":"1","atoms":["atom/12/","atom/50/"]},{"@id":"bond/28/","@type":"ss:SIO_011118","order":"1","atoms":["atom/13/","atom/14/"]},{"@id":"bond/29/","@type":"ss:SIO_011118","order":"1","atoms":["atom/13/","atom/51/"]},{"@id":"bond/30/","@type":"ss:SIO_011118","order":"1","atoms":["atom/13/","atom/52/"]},{"@id":"bond/31/","@type":"ss:SIO_011118","order":"1","atoms":["atom/14/","atom/15/"]},{"@id":"bond/32/","@type":"ss:SIO_011118","order":"2","atoms":["atom/14/","atom/16/"]},{"@id":"bond/33/","@type":"ss:SIO_011118","order":"1","atoms":["atom/15/","atom/17/"]},{"@id":"bond/34/","@type":"ss:SIO_011118","order":"2","atoms":["atom/15/","atom/18/"]},{"@id":"bond/35/","@type":"ss:SIO_011118","order":"1","atoms":["atom/16/","atom/19/"]},{"@id":"bond/36/","@type":"ss:SIO_011118","order":"1","atoms":["atom/16/","atom/53/"]},{"@id":"bond/37/","@type":"ss:SIO_011118","order":"2","atoms":["atom/17/","atom/21/"]},{"@id":"bond/38/","@type":"ss:SIO_011118","order":"1","atoms":["atom/17/","atom/22/"]},{"@id":"bond/39/","@type":"ss:SIO_011118","order":"1","atoms":["atom/18/","atom/20/"]},{"@id":"bond/40/","@type":"ss:SIO_011118","order":"1","atoms":["atom/18/","atom/54/"]},{"@id":"bond/41/","@type":"ss:SIO_011118","order":"2","atoms":["atom/19/","atom/20/"]},{"@id":"bond/42/","@type":"ss:SIO_011118","order":"1","atoms":["atom/19/","atom/55/"]},{"@id":"bond/43/","@type":"ss:SIO_011118","order":"1","atoms":["atom/20/","atom/56/"]},{"@id":"bond/44/","@type":"ss:SIO_011118","order":"1","atoms":["atom/21/","atom/24/"]},{"@id":"bond/45/","@type":"ss:SIO_011118","order":"1","atoms":["atom/21/","atom/57/"]},{"@id":"bond/46/","@type":"ss:SIO_011118","order":"2","atoms":["atom/22/","atom/25/"]},{"@id":"bond/47/","@type":"ss:SIO_011118","order":"1","atoms":["atom/22/","atom/58/"]},{"@id":"bond/48/","@type":"ss:SIO_011118","order":"2","atoms":["atom/23/","atom/24/"]},{"@id":"bond/49/","@type":"ss:SIO_011118","order":"1","atoms":["atom/23/","atom/25/"]},{"@id":"bond/50/","@type":"ss:SIO_011118","order":"1","atoms":["atom/25/","atom/59/"]},{"@id":"bond/51/","@type":"ss:SIO_011118","order":"1","atoms":["atom/26/","atom/28/"]},{"@id":"bond/52/","@type":"ss:SIO_011118","order":"2","atoms":["atom/26/","atom/32/"]},{"@id":"bond/53/","@type":"ss:SIO_011118","order":"2","atoms":["atom/27/","atom/30/"]},{"@id":"bond/54/","@type":"ss:SIO_011118","order":"1","atoms":["atom/27/","atom/33/"]},{"@id":"bond/55/","@type":"ss:SIO_011118","order":"1","atoms":["atom/29/","atom/30/"]},{"@id":"bond/56/","@type":"ss:SIO_011118","order":"1","atoms":["atom/29/","atom/31/"]},{"@id":"bond/57/","@type":"ss:SIO_011118","order":"2","atoms":["atom/29/","atom/36/"]},{"@id":"bond/58/","@type":"ss:SIO_011118","order":"1","atoms":["atom/30/","atom/61/"]},{"@id":"bond/59/","@type":"ss:SIO_011118","order":"1","atoms":["atom/31/","atom/35/"]},{"@id":"bond/60/","@type":"ss:SIO_011118","order":"2","atoms":["atom/31/","atom/37/"]},{"@id":"bond/61/","@type":"ss:SIO_011118","order":"1","atoms":["atom/32/","atom/34/"]},{"@id":"bond/62/","@type":"ss:SIO_011118","order":"1","atoms":["atom/32/","atom/62/"]},{"@id":"bond/63/","@type":"ss:SIO_011118","order":"2","atoms":["atom/33/","atom/35/"]},{"@id":"bond/64/","@type":"ss:SIO_011118","order":"1","atoms":["atom/34/","atom/38/"]},{"@id":"bond/65/","@type":"ss:SIO_011118","order":"1","atoms":["atom/35/","atom/63/"]},{"@id":"bond/66/","@type":"ss:SIO_011118","order":"1","atoms":["atom/36/","atom/39/"]},{"@id":"bond/67/","@type":"ss:SIO_011118","order":"1","atoms":["atom/36/","atom/64/"]},{"@id":"bond/68/","@type":"ss:SIO_011118","order":"1","atoms":["atom/37/","atom/40/"]},{"@id":"bond/69/","@type":"ss:SIO_011118","order":"1","atoms":["atom/37/","atom/65/"]},{"@id":"bond/70/","@type":"ss:SIO_011118","order":"1","atoms":["atom/38/","atom/66/"]},{"@id":"bond/71/","@type":"ss:SIO_011118","order":"1","atoms":["atom/38/","atom/67/"]},{"@id":"bond/72/","@type":"ss:SIO_011118","order":"1","atoms":["atom/38/","atom/68/"]},{"@id":"bond/73/","@type":"ss:SIO_011118","order":"2","atoms":["atom/39/","atom/40/"]},{"@id":"bond/74/","@type":"ss:SIO_011118","order":"1","atoms":["atom/39/","atom/69/"]},{"@id":"bond/75/","@type":"ss:SIO_011118","order":"1","atoms":["atom/40/","atom/70/"]}]}}]}},"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/"}]}}