added new CIDs

annotations/tps/REFTPS/S74_REFTPS_Substances.csv

@@ -75,29 +75,29 @@ PubChem_CID,Name,SMILES,InChIKey,Synonym,DTXSID
 162393341,GS-(Z)-8:2 FTUCA,FC(F)(C(=C/C(=O)O)/SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,ZOYZDBBMBCZXPK-BAQGIRSFSA-N,(Z)-8:2 Fluorotelomer unsaturated carboxylic acid glutathione conjugate,
 69537,6:2 FTOH,OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,GRJRKPMIRMSBNK-UHFFFAOYSA-N,6:2 Fluorotelomer alcohol,DTXSID5044572
 91350838,6:2 FTOH-Sulfate,C(COS(=O)(=O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,BGJBRLCWYHDOSY-UHFFFAOYSA-N,6:2 Fluorotelomer alcohol sulfate,DTXSID301023145
-NA,6:2 FTOH-Gluc,C(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,QGCRDEVAWUFVFN-UQGZVRACSA-N,6:2 Fluorotelomer alcohol glucuronide,
+162396675,6:2 FTOH-Gluc,C(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,QGCRDEVAWUFVFN-UQGZVRACSA-N,6:2 Fluorotelomer alcohol glucuronide,
 2776269,6:2 FTAL,C(C=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,WJSFZGPTEQNWCB-UHFFFAOYSA-N,6:2 Fluorotelomer aldehyde,DTXSID20895379
 11783764,6:2 FTCA,C(C(=O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,LRWIIEJPCFNNCZ-UHFFFAOYSA-N,6:2 Fluorotelomer carboxylic acid,DTXSID50472556
 146171053,(Z)-6:2 FTUAL,C(=C(/C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)\F)\C=O,IRFCYNBOXLFPAS-IWQZZHSRSA-N,(Z)-6:2 Fluorotelomer unsaturated aldehyde,
-NA,(E)-6:2 FTUAL,C(=C(\C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)/F)\C=O,IRFCYNBOXLFPAS-HNQUOIGGSA-N,(E)-6:2 Fluorotelomer unsaturated aldehyde,
+162396673,(E)-6:2 FTUAL,C(=C(\C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)/F)\C=O,IRFCYNBOXLFPAS-HNQUOIGGSA-N,(E)-6:2 Fluorotelomer unsaturated aldehyde,
 86290106,(Z)-6:2 FTUCA,C(=C(/C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)\F)\C(=O)O,BKOBFLVYTXYFQZ-UPHRSURJSA-N,(Z)-6:2 Fluorotelomer unsaturated carboxylic acid,DTXSID201036280
 129411141,(E)-6:2 FTUCA,C(=C(\C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)/F)\C(=O)O,BKOBFLVYTXYFQZ-OWOJBTEDSA-N,(E)-6:2 Fluorotelomer unsaturated carboxylic acid,DTXSID30891463
 74883,4:2 FTOH,OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F,JCMNMOBHVPONLD-UHFFFAOYSA-N,4:2 Fluorotelomer alcohol,DTXSID1062122
-NA,4:2 FTOH-Sulfate,C(COS(=O)(=O)O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,ZMKOLQPMWYJIKZ-UHFFFAOYSA-N,4:2 Fluorotelomer alcohol sulfate,DTXSID601034662
-NA,4:2 FTOH-Gluc,C(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,TYGAIOOXICPGHG-UQGZVRACSA-N,4:2 Fluorotelomer alcohol glucuronide,
+162396679,4:2 FTOH-Sulfate,C(COS(=O)(=O)O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,ZMKOLQPMWYJIKZ-UHFFFAOYSA-N,4:2 Fluorotelomer alcohol sulfate,DTXSID601034662
+162396677,4:2 FTOH-Gluc,C(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,TYGAIOOXICPGHG-UQGZVRACSA-N,4:2 Fluorotelomer alcohol glucuronide,
 10422795,4:2 FTAL,C(C=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,PLXBWBKXCKSJRL-UHFFFAOYSA-N,4:2 Fluorotelomer aldehyde,DTXSID80895239
 15544178,4:2 FTCA,C(C(=O)O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,PMNVMTIBUIRJHZ-UHFFFAOYSA-N,4:2 Fluorotelomer carboxylic acid,DTXSID401033501
-NA,(E)-4:2 FTUAL,C(=C(\C(C(C(F)(F)F)(F)F)(F)F)/F)\C=O,HFHWKEZNQKNBEL-HNQUOIGGSA-N,(E)-4:2 Fluorotelomer unsaturated aldehyde,
+162396670,(E)-4:2 FTUAL,C(=C(\C(C(C(F)(F)F)(F)F)(F)F)/F)\C=O,HFHWKEZNQKNBEL-HNQUOIGGSA-N,(E)-4:2 Fluorotelomer unsaturated aldehyde,
 146171041,(Z)-4:2 FTUAL,C(=C(/C(C(C(F)(F)F)(F)F)(F)F)\F)\C=O,HFHWKEZNQKNBEL-IWQZZHSRSA-N,(Z)-4:2 Fluorotelomer unsaturated aldehyde,
 87587204,(Z)-4:2 FTUCA,C(=C(/C(C(C(F)(F)F)(F)F)(F)F)\F)\C(=O)O,CMFAKTRZLATJOA-UPHRSURJSA-N,(Z)-4:2 Fluorotelomer unsaturated carboxylic acid,
-NA,(E)-4:2 FTUCA,C(=C(\C(C(C(F)(F)F)(F)F)(F)F)/F)\C(=O)O,CMFAKTRZLATJOA-OWOJBTEDSA-N,(E)-4:2 Fluorotelomer unsaturated carboxylic acid,
+162396669,(E)-4:2 FTUCA,C(=C(\C(C(C(F)(F)F)(F)F)(F)F)/F)\C(=O)O,CMFAKTRZLATJOA-OWOJBTEDSA-N,(E)-4:2 Fluorotelomer unsaturated carboxylic acid,
 108644,2:2 FTOH,C(CO)C(C(F)(F)F)(F)F,JPMHUDBOKDBBLG-UHFFFAOYSA-N,2:2 Fluorotelomer alcohol,DTXSID6068985
-NA,2:2 FTOH-Sulfate,C(COS(=O)(=O)O)C(C(F)(F)F)(F)F,QXFRKSXYXQTUIP-UHFFFAOYSA-N,2:2 Fluorotelomer alcohol sulfate,DTXSID201034660
-NA,2:2 FTOH-Gluc,C(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)C(C(F)(F)F)(F)F,NFZAQCCKOVPTTE-UQGZVRACSA-N,2:2 Fluorotelomer alcohol glucuronide,
+162396676,2:2 FTOH-Sulfate,C(COS(=O)(=O)O)C(C(F)(F)F)(F)F,QXFRKSXYXQTUIP-UHFFFAOYSA-N,2:2 Fluorotelomer alcohol sulfate,DTXSID201034660
+162396674,2:2 FTOH-Gluc,C(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)C(C(F)(F)F)(F)F,NFZAQCCKOVPTTE-UQGZVRACSA-N,2:2 Fluorotelomer alcohol glucuronide,
 10374737,2:2 FTAL,C(C=O)C(C(F)(F)F)(F)F,UNBXLINXSUCFBI-UHFFFAOYSA-N,2:2 Fluorotelomer aldehyde,DTXSID601032654
 11148047,2:2 FTCA,C(C(=O)O)C(C(F)(F)F)(F)F,UVLNQGHDUGHTGV-UHFFFAOYSA-N,2:2 Fluorotelomer carboxylic acid,DTXSID301032879
-NA,(Z)-2:2 FTUAL,C(=C(/C(F)(F)F)\F)\C=O,HSUJHGMYGPOOSW-IWQZZHSRSA-N,(Z)-2:2 Fluorotelomer unsaturated aldehyde,
-NA,(E)-2:2 FTUAL,C(=C(\C(F)(F)F)/F)\C=O,HSUJHGMYGPOOSW-HNQUOIGGSA-N,(E)-2:2 Fluorotelomer unsaturated aldehyde,
+162396672,(Z)-2:2 FTUAL,C(=C(/C(F)(F)F)\F)\C=O,HSUJHGMYGPOOSW-IWQZZHSRSA-N,(Z)-2:2 Fluorotelomer unsaturated aldehyde,
+162396671,(E)-2:2 FTUAL,C(=C(\C(F)(F)F)/F)\C=O,HSUJHGMYGPOOSW-HNQUOIGGSA-N,(E)-2:2 Fluorotelomer unsaturated aldehyde,
 23116759,(Z)-2:2 FTUCA,C(=C(/C(F)(F)F)\F)\C(=O)O,WKAYWQKZZYEPTI-UPHRSURJSA-N,(Z)-2:2 Fluorotelomer unsaturated carboxylic acid,
-NA,(E)-2:2 FTUCA,C(=C(\C(F)(F)F)/F)\C(=O)O,WKAYWQKZZYEPTI-OWOJBTEDSA-N,(E)-2:2 Fluorotelomer unsaturated carboxylic acid,
+162396678,(E)-2:2 FTUCA,C(=C(\C(F)(F)F)/F)\C(=O)O,WKAYWQKZZYEPTI-OWOJBTEDSA-N,(E)-2:2 Fluorotelomer unsaturated carboxylic acid,
 6422,TFA,C(=O)(C(F)(F)F)O,DTQVDTLACAAQTR-UHFFFAOYSA-N,Trifluoroacetic acid,DTXSID9041578