NORMAN_SLE_mappings.txt 20.5 KB
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Link_to_File	ListAcronym	Version	Date	ZenodoDOI	URL	RegID	SMILES	InChIKey	InChI	Synonym	Comment	ExtraDOIs		NOTE: if multple columns exist they are pipe-separated (|). Author and description can be pulled from JSON-LD
Link_to_File	ListAcronym	Version	Date	ZenodoDOI	PUBCHEM_EXT_DATASOURCE_URL	PUBCHEM_EXT_DATASOURCE_REGID	PUBCHEM_EXT_DATASOURCE_SMILES	PUBCHEM_EXT_DATASOURCE_INCHIKEY	PUBCHEM_EXT_DATASOURCE_INCHI	PUBCHEM_EXT_DATASOURCE_SYNONYM	PUBCHEM_SUBSTANCE_COMMENT	ExtraDOIs		NOTE: if multple columns exist they are pipe-separated (|)
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https://zenodo.org/record/4558070/files/susdat_2020-06-18-123341_20210223.csv	S0_SUSDAT	S0.0.3.2	23-Feb-21	10.5281/zenodo.2664077	https://www.norman-network.com/nds/SLE/	Norman_SusDat_ID	SMILES	StdInChIKey		Name|CAS_RN|Norman_SusDat_ID				
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https://zenodo.org/record/3365550/files/UFZWANATARG_11082019.csv	S53_UFZWANATARG	S53.0.1.0	11-Aug-19	10.5281/zenodo.3365550	https://www.norman-network.com/nds/SLE/		SMILES	InChIKey		Name|IUPAC_NAME	LC_or_GC			
https://zenodo.org/record/3248994/files/EFSAPRI_212List_18062019.csv	S54_EFSAPRI	S54.0.1.0	18-Jun-19	10.5281/zenodo.3248994	https://www.norman-network.com/nds/SLE/		SMILES	StdInChIKey		Name				
https://zenodo.org/record/3248884/files/GREEKPHARMA_18062019.csv	S57_GREEKPHARMA	S57.0.1.0	18-Jun-19	10.5281/zenodo.3248884	https://www.norman-network.com/nds/SLE/		SMILES	StdInChIKey		Name	Class			
https://zenodo.org/record/3248838/files/UOATARGPHARMA_18062019.csv	S56_UOATARGPHARMA	S56.0.1.0	18-Jun-19	10.5281/zenodo.3248838	https://www.norman-network.com/nds/SLE/		SMILES	StdInChIKey		Name	Group	10.1021/acs.est.6b02417|10.1016/j.scitotenv.2015.09.145 		
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https://zenodo.org/record/4248976/files/ZINC15PHARMA.csv	S55_ZINC15PHARMA	S55.0.1.1	6-Nov-20	10.5281/zenodo.3247749	https://www.norman-network.com/nds/SLE/	ID	SMILES	sdInChIKey		Chemical_Name				
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https://zenodo.org/record/3247728/files/SYNTHCANNAB_17062019.csv	S45_SYNTHCANNAB	S45.0.2.0	17-Jun-19	10.5281/zenodo.3247728	https://www.norman-network.com/nds/SLE/		SMILES	INCHIKEY		PREFERRED_NAME|IUPAC_NAME				
https://zenodo.org/record/3247724/files/PSYCHOCANNAB_17062019.csv	S58_PSCYHOCANNAB	S58.0.1.0	17-Jun-19	10.5281/zenodo.3247724	https://www.norman-network.com/nds/SLE/		SMILES	INCHIKEY		PREFERRED_NAME|IUPAC_NAME				
https://zenodo.org/record/3247682/files/MassBankEU_Cmpds_11042017_wMS_DTXSIDs_03102017.csv	S1_MASSBANK	S1.0.1.1	17-Jun-19	10.5281/zenodo.3247682	https://www.norman-network.com/nds/SLE/	NORMAN_ID	SMILES	InChIKey			Preferable Ionization	10.1002/jms.3131		SPECIAL CASE: Synonyms available but pipe-separated. This is not a FULL copy of MassBank
https://zenodo.org/record/3242298/files/litminedneuro_list_chemicals-2019-06-10-09-31-17.csv	S37_LITMINEDNEURO	S37.0.1.1	10-Jun-19	10.5281/zenodo.3242298	https://www.norman-network.com/nds/SLE/		SMILES	INCHIKEY		PREFERRED_NAME|IUPAC_NAME		10.1039/C9EM00068B		
https://zenodo.org/record/2669467/files/THSMOKE_THS_Suspects_06052019.csv	S52_THSMOKE	S52.0.1.0	6-May-19	10.5281/zenodo.2669467	https://www.norman-network.com/nds/SLE/		SMILES	INCHIKEY		Compound|Chemical name|PREFERRED_NAME|IUPAC_NAME	Category			
https://zenodo.org/record/2658170/files/WRIGCHRMS_04042019.csv	S51_WRIGCHRMS	S51.0.1.0 	4-Apr-19	10.5281/zenodo.2658170	https://www.norman-network.com/nds/SLE/		SMILES	StdInChIKey		Name				
https://zenodo.org/record/2658163/files/20190304JAP_CCSdatabase_final.csv	S50_CCSCOMPEND	S50.0.1.0	6-Mar-19	10.5281/zenodo.2658163	https://www.norman-network.com/nds/SLE/			InChIKey		Compound|CAS		10.1039/C8SC04396E		
https://zenodo.org/record/2658153/files/CPPdb_ListB_Mapped_06032019.csv	S49_CCPDBLISTB	S49.0.1.0	6-Mar-19	10.5281/zenodo.2658153	https://www.norman-network.com/nds/SLE/		SMILES	INCHIKEY		CAS|EC number|Name		10.5281/zenodo.1287773|10.1016/j.scitotenv.2018.10.015		
https://zenodo.org/record/2658144/files/CPPdb_ListA_Mapped_06032019.csv	S48_CCPDBLISTA	S48.0.1.0	6-Mar-19	10.5281/zenodo.2658144	https://www.norman-network.com/nds/SLE/		SMILES	INCHIKEY		CAS|EC number|Name		10.5281/zenodo.1287773|10.1016/j.scitotenv.2018.10.015		
https://zenodo.org/record/2658140/files/ECHA_PlasticAdditivesInitiative_06032019.csv	S47_ECHAPLASTICS	S47.0.1.0	6-Mar-19	10.5281/zenodo.2658140	https://www.norman-network.com/nds/SLE/		SMILES	INCHIKEY		EC number|CAS number|Substance name	Type			
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https://zenodo.org/record/3653161/files/PFASNTREV19_Liu_etal_17042019.csv	S46_PFASNTREV19	S46.0.1.1	6-Feb-20	10.5281/zenodo.3653161	https://www.norman-network.com/nds/SLE/		SMILES	InChIKey		Name|LongName|CASRN		10.1016/j.trac.2019.02.021		
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https://zenodo.org/record/2656737/files/STATINS_14022019.csv	S44_STATINS	S44.0.1.0	14-Feb-19	10.5281/zenodo.2656737	https://www.norman-network.com/nds/SLE/		SMILES	INCHIKEY		PREFERRED_NAME|IUPAC_NAME				
https://zenodo.org/record/2656730/files/NEUROTOXINS_14022019.csv	S43_NEUROTOXINS	S43.0.1.0	14-Feb-19	10.5281/zenodo.2656730	https://www.norman-network.com/nds/SLE/		SMILES	INCHIKEY		PREFERRED_NAME|IUPAC_NAME		10.1039/C9EM00068B		
https://zenodo.org/record/2656725/files/HDXNOEX_14022019.csv	S42_HDXNOEX	S42.0.1.0	14-Feb-19	10.5281/zenodo.2656725	https://www.norman-network.com/nds/SLE/		SMILES	INCHIKEY		PREFERRED_NAME|IUPAC_NAME		10.1007/s00216-019-01885-0		
https://zenodo.org/record/2656717/files/CCL4_14022019.csv	S41_CCL4	S41.0.1.0	14-Feb-19	10.5281/zenodo.2656717	https://www.norman-network.com/nds/SLE/		SMILES	INCHIKEY		PREFERRED_NAME|IUPAC_NAME				
https://zenodo.org/record/2656711/files/ALGALTOX_14022019.csv	S40_ALGALTOX	S40.0.1.0	14-Feb-19	10.5281/zenodo.2656711	https://www.norman-network.com/nds/SLE/		SMILES	INCHIKEY		PREFERRED_NAME|IUPAC_NAME				
https://zenodo.org/record/3541665/files/Suspects_Wastewater_Sweden_KEMI20190212_wDTXSIDs.csv	S39_KEMIWWSUS	S39.0.1.1	12-Feb-19	10.5281/zenodo.2653567	https://www.norman-network.com/nds/SLE/		SMILES	INCHIKEY		Name|CAS_No|EC_No|PREFERRED_NAME				
https://zenodo.org/record/3541788/files/modelsTransformationProducts.csv	S38_SOLNSLMCTPS	S38.0.1.1	14-Feb-19	10.5281/zenodo.3541788	https://www.norman-network.com/nds/SLE/		LMC SMILES			CAS#				
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https://zenodo.org/record/4323239/files/S36_UBAPMT_Dec2020.csv	S36_UBAPMT	S36.0.2.1	15-Dec-20	10.5281/zenodo.2653212	https://www.norman-network.com/nds/SLE/		SMILES_Largest_Fragment_Open_Babel	InChIKey_largestFragment		REACH_EC_List_Number|CAS_Number|Name		UBA Report 126/2019		
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https://zenodo.org/record/3653164/files/INDOORCT16_merged.csv	S35_INDOORCT16	S35.0.1.1	6-Feb-20	10.5281/zenodo.3653164	https://www.norman-network.com/nds/SLE/	No	SMILES	InChIKey		Name		10.1007/s00216-019-01615-6		
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https://zenodo.org/record/2653032/files/EXPOSOMEXPL_wDTXSIDs_24012019.csv	S34_EXPOSOMEXPL	S34.0.1.0	24-Jan-19	10.5281/zenodo.2653032	https://www.norman-network.com/nds/SLE/		SMILES	INCHIKEY		PREFERRED_NAME|IUPAC_NAME		10.1093/nar/gkw980		
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https://zenodo.org/record/4248748/files/SOLUTIONSMLOS.csv	S33_SOLUTIONSMLOS	S33.0.1.3	6-Nov-20	10.5281/zenodo.2653022	https://www.norman-network.com/nds/SLE/		SMILES	InChIKey		Name|EC_number|CAS_number				
https://zenodo.org/record/4248826/files/REACH2017_fixedSMILES.csv	S32_REACH2017	S32.0.1.4	6-Nov-20	10.5281/zenodo.2653020	https://www.norman-network.com/nds/SLE/	Identifier	fixed_SMILES	InChIKey		NAME|EC|CAS				
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https://zenodo.org/record/2653017/files/WRTMSD_wDTXSIDs_24012019.csv	S31_WRTMSD	S31.0.1.0	24-Jan-19	10.5281/zenodo.2653017	https://www.norman-network.com/nds/SLE/		SMILES	INCHIKEY		PREFERRED_NAME|IUPAC_NAME		10.1002/jms.3185		
https://zenodo.org/record/2653012/files/PhenolicAntioxidants_KEMI_NILU_Jan2019.csv	S30_PHENANTIOX	S30.0.1.0	23-Jan-19	10.5281/zenodo.2653012	https://www.norman-network.com/nds/SLE/		SMILES	INCHIKEY		PREFERRED_NAME|IUPAC_NAME				
https://zenodo.org/record/3548844/files/TPPT_Phytotoxins_wDTXSIDs_20112019.csv	S29_PHYTOTOXINS	S29.0.1.1	27-Jun-18	10.5281/zenodo.3548844	https://www.norman-network.com/nds/SLE/	Phytotoxin_number	Stereo_SMILES	InChIKey		Phytotoxin_name	Major_plant_genus|Additional_plant_genus|PSM_class	10.1021/acs.jafc.8b01639		
https://zenodo.org/record/3542001/files/EUBIOCIDES_30072018.csv	S28_EUBIOCIDES	S28.0.1.0	30-Jul-18	10.5281/zenodo.3542001	https://www.norman-network.com/nds/SLE/		SMILES	INCHIKEY		Individual_substance|Acronym|CAS_nr				
https://zenodo.org/record/3542085/files/KWRSJERPS2_WatResSI.csv	S27_KWRSJERPS2	S27.0.1.0	21-Jun-18	10.5281/zenodo.3542085	https://www.norman-network.com/nds/SLE/					Cas-number|Name		10.1016/j.watres.2016.02.034		
https://zenodo.org/record/2648816/files/AAFC_Mycotoxins_Jan2019.csv	S26_MYCOTOXINS	S26.0.1.0	21-Jun-18	10.5281/zenodo.2648816	https://www.norman-network.com/nds/SLE/	FIRST_ACCESSION	SMILES	InChIKey		NAME|Name2|Name3				
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https://zenodo.org/record/3653165/files/OECDPFAS_list_22012019.csv	S25_OECDPFAS	S25.0.1.2	6-Feb-20	10.5281/zenodo.3653165	https://www.norman-network.com/nds/SLE/		SMILES	INCHIKEY		CASRN|PREFERRED_NAME		ENV/JM/MONO(2018)7		
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https://zenodo.org/record/3542097/files/HUMANNEUROTOX-2018-06-19-15-34-35.csv	S24_HUMANNEUROTOX	S24.0.1.0	19-Jun-18	10.5281/zenodo.3542097	https://www.norman-network.com/nds/SLE/		SMILES	INCHIKEY		CASRN|PREFERRED_NAME		10.1016/S0140-6736(06)69665-7|10.1039/C9EM00068B		
https://zenodo.org/record/2648765/files/SurfactantSuspects_EI_UBA_15032018_wDTXSIDs.csv	S23_EIUBASURF	S23.0.1.0	19-Jun-18	10.5281/zenodo.2648765	https://www.norman-network.com/nds/SLE/		SMILES	StdInChIKey		Name|DID number|Initial Mixture				
https://zenodo.org/record/2648759/files/EPA_ConsumerProductSuspects_01032018.csv	S22_EPACONS 	S22.0.1.0	1-Mar-18	10.5281/zenodo.2648759	https://www.norman-network.com/nds/SLE/		SMILES	INCHI KEY		PREFERRED NAME|IUPAC NAME		10.1021/acs.est.7b04781		
https://zenodo.org/record/2632411/files/UoAthens_TargetList_08032018.csv	S21_UATHTARGETS	S21.0.1.0	8-Mar-18	10.5281/zenodo.2632411	https://www.norman-network.com/nds/SLE/		SMILES	StdInChIKey		Name		10.1016/j.envint.2019.03.060		
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https://zenodo.org/record/3779854/files/S20_BISPHENOLS_KEMI_NILU_01052020.csv	S20_BISPHENOLS	S20.0.2.0	1-May-20	10.5281/zenodo.3779854	https://www.norman-network.com/nds/SLE/		SMILES	InChIKey		Name_KEMI|Name_NILU|Name_CompTox|IUPAC_Name		KEMI Report 5/17		
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https://zenodo.org/record/3542104/files/mzCloud_Compounds_01042019.csv	S19_MZCLOUD	S19.0.1.0	1-Apr-19	10.5281/zenodo.3542104	https://www.norman-network.com/nds/SLE/		SMILES	InChIKey		ChemicalName|CAS_RN				
https://zenodo.org/record/3542115/files/surfactants2_TSCA_PEG.csv	S18_TSCASURF_TSCA_PEG	S18.0.1.0	25-Jul-17	10.5281/zenodo.3542115	https://www.norman-network.com/nds/SLE/					CAS|Name				
https://zenodo.org/record/3542115/files/tsca_peg_questionable.csv	S18_TSCASURF_TSCA_QUEST	S18.0.1.0	25-Jul-17	10.5281/zenodo.3542115	https://www.norman-network.com/nds/SLE/					CAS_No|Name				
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https://zenodo.org/record/3959394/files/KEMI_MarketList_29122017_fixedIKs.csv	S17_KEMIMARKET	S17.0.1.4	6-Feb-20	10.5281/zenodo.2628786	https://www.norman-network.com/nds/SLE/		Smiles	InChIKey		Name|CASno				
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https://zenodo.org/record/2624325/files/French_List_08052017.csv	S16_FRENCHLIST	S16.0.1.0	8-May-17	10.5281/zenodo.2624325	https://www.norman-network.com/nds/SLE/	FrenchList_ID	MS_SMILES	MS_InChIKey			Use_category_France			
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https://zenodo.org/record/2624273/files/NORMAN_PriorityList_2016.csv	S15_NORMANPRI	S15.0.1.0	16-May-17	10.5281/zenodo.2624273	https://www.norman-network.com/nds/SLE/	mol_ID	SMILES			Name				
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https://zenodo.org/record/3959386/files/Merged_CosmeticProducts_04052017.csv	S13_EUCOSMETICS	S13.0.1.3	28-May-20	10.5281/zenodo.2624118	https://www.norman-network.com/nds/SLE/	NORMAN_ID	SMILES			Name	Source			
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https://zenodo.org/record/2623816/files/NormaNEWS_V4_26042017_wDTXSIDs.csv	S12_NORMANEWS	S12.0.1.0	8-May-17	10.5281/zenodo.2623816	https://www.norman-network.com/nds/SLE/	NORMAN_ID	SMILES			Name		10.1021/acs.est.8b00365 		
https://zenodo.org/record/2623741/files/SwissPesticides_TableS1_CASfix_wDTXSIDs.csv	S11_SWISSPEST	S11.0.1.0	8-May-17	10.5281/zenodo.2623741	https://www.norman-network.com/nds/SLE/	mol_ID	SMILES			NAME		10.1021/ac4021598		
https://zenodo.org/record/2623485/files/SwissPharma_TablesS2_CASfix_wDTXSIDs.csv	S10_SWISSPHARMA	S10.0.1.0	2-May-17	10.5281/zenodo.2623485	https://www.norman-network.com/nds/SLE/	mol_ID	SMILES			NAME		10.1021/acs.est.5b03332		
https://zenodo.org/record/3542121/files/PFASTRIER_26112015.csv	S9_PFASTRIER	S9.0.1.0	26-Nov-15	10.5281/zenodo.3542121	https://www.norman-network.com/nds/SLE/					Cpd|IUPAC|CAS				
https://zenodo.org/record/2621980/files/GagoFerrero_etal_2015_SuspectsNontargets_wDTXSIDs.csv	S8_ATHENSSUS	S8.0.1.0	28-Jan-16	10.5281/zenodo.2621980	https://www.norman-network.com/nds/SLE/		SMILES	StdInChIKey		Name		10.1021/acs.est.5b03454 		
https://zenodo.org/record/2621957/files/Antibiotics_ITN_MSCA_ANSWER_160616_wDTXSIDs.csv	S6_ITNANTIBIOTIC	S6.0.1.0	14-Jun-16	10.5281/zenodo.2621957	https://www.norman-network.com/nds/SLE/		SMILES	InChIKey		Name|CAS		10.1016/j.ijheh.2019.01.004		
https://zenodo.org/record/2621942/files/NormanTargetSuspects-KWR_withStruct_DTXSIDs.csv	S5_KWRSJERPS	S5.0.1.0	15-Mar-16	10.5281/zenodo.2621942	https://www.norman-network.com/nds/SLE/		Structure_SMILES	InChIKey		Name|CAS_No		10.1016/j.watres.2016.02.034		
https://zenodo.org/record/2621917/files/Bade_etal_544Compounds_wInChIs_DTXSIDs.csv	S4_UJIBADE	S4.0.1.0	28-Nov-15	10.5281/zenodo.2621917	https://www.norman-network.com/nds/SLE/		SMILES	StdInChIKey		Name|CAS		10.1016/j.scitotenv.2015.08.078		
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https://zenodo.org/record/3544805/files/PFAS_KEMI_StructOnly_25072017.csv	S14_KEMIPFAS	S14.0.1.1	1-Feb-17	10.5281/zenodo.3544805	https://www.norman-network.com/nds/SLE/		SMILES	INCHIKEY		PREFERRED_NAME|IUPAC_NAME|CASRN|CASno|ECno|Name		KEMI Report 7/15		
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https://zenodo.org/record/2621479/files/Targ_Sus_NT-wID_GC_final_31102016_wDTXSIDs.csv	S3_NORMANCT15_GC	S3.0.1.0	31-Oct-16	10.5281/zenodo.2621479	https://www.norman-network.com/nds/SLE/		SMILES	StdInChIKey		Name|CAS		10.1007/s00216-015-8681-7		
https://zenodo.org/record/2621479/files/Targ_Sus_NT-wID_LC_final_31102016_wDTXSIDs.csv	S3_NORMANCT15_LC	S3.0.1.0	31-Oct-16	10.5281/zenodo.2621479	https://www.norman-network.com/nds/SLE/		SMILES	StdInChIKey		Name|CAS		10.1007/s00216-015-8681-7		
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https://zenodo.org/record/3900133/files/STOFF-IDENT_Cmpds_06092017.csv	S2_STOFFIDENT	S2.0.1.2	6-Sep-17	10.5281/zenodo.2621451	https://www.norman-network.com/nds/SLE/		SMILES	InChIKey		Name|CAS				
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https://zenodo.org/record/3547224/files/S59_Natural_Products_Insecticides_v2.csv	S59_NPINSECT	S59.0.2.0 	19-Nov-19	10.5281/zenodo.3547224	https://www.norman-network.com/nds/SLE/	Identifier	MS_Ready_SMILES	StdInChIKey		Name|CAS|Synonyms				
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https://zenodo.org/record/3766352/files/S60_SWISSPEST19_25042020.csv	S60_SWISSPEST19	S60.0.1.1	17-Nov-19	10.5281/zenodo.3544760	https://www.norman-network.com/nds/SLE/		SMILES_MS_Ready	InChIKey		Name|Synonym|CAS_RN		10.1016/j.watres.2019.114972		
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https://zenodo.org/record/3549934/files/Surfactant_Suspects_Schymanski_etal_2014_wStruct.csv	S7_EAWAGSURF	S7.0.2.0	21-Nov-19	10.5281/zenodo.3549934	https://www.norman-network.com/nds/SLE/		SMILES	InChIKeys		SurfactantCode|Name		10.1021/es4044374		
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https://zenodo.org/record/3966751/files/TableS1_CCS_RT_mz_DB_IUPA_charge.csv	S61_UJICCSLIB	S61.0.1.2	21-Nov-19	10.5281/zenodo.3549476	https://www.norman-network.com/nds/SLE/		SMILES	InChIKey		Name		10.1021/acs.est.0c05713		
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https://zenodo.org/record/3634963/files/NORMANEWS2_Final.csv	S62_NORMANEWS2	S62.0.1.0	3-Feb-20	10.5281/zenodo.3634963	https://www.norman-network.com/nds/SLE/		SMILES	InChIKey		Name|ShortName|CAS				
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https://zenodo.org/record/3637630/files/S63_UBADWGW_Nov2019.csv	S63_UBADWGW	S63.0.1.0	4-Feb-20	10.5281/zenodo.3637630	https://www.norman-network.com/nds/SLE/		SMILES_Largest_Fragment_Open_Babel	InChIKey_largestFragment		REACH_EC_List_Number|CAS_Number|Name		UBA Report 126/2019		
https://zenodo.org/record/3695174/files/S64_NaToxAq_natural_toxins_in_MassBank.csv	S64_NATOXAQ	S64.0.1.0	3-Mar-20	10.5281/zenodo.3695174	https://www.norman-network.com/nds/SLE/		SMILES	InChIKey		NAME|CAS_RN	https://natoxaq.ku.dk/			
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https://zenodo.org/record/3753372/files/UoAthens_GC-HRMS_TargetList.csv	S65_UATHTARGETSGC	S65.0.1.0	15-Apr-20	10.5281/zenodo.3753372	https://www.norman-network.com/nds/SLE/		SMILES	StdInChIKey		Name|CAS				
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https://zenodo.org/record/3829088/files/EawagTPandParents.csv	S66_EAWAGTPS	S66.0.1.2	15-May-20	10.5281/zenodo.3754448	https://www.norman-network.com/nds/SLE/		SMILES	InChIKey		Name|Synonym1|Synonym2|Abbr_Synonym		10.1007/s13361-017-1797-6		
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https://zenodo.org/record/3779849/files/TBUTYLPHENOLS_May2020.csv	S67_TBUTYLPHENOLS	S67.0.1.0	1-May-20	10.5281/zenodo.3779849	https://www.norman-network.com/nds/SLE/		SMILES	INCHIKEY		PREFERRED_NAME|IUPAC_NAME|CASRN				
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https://zenodo.org/record/3890392/files/S68_HSDBTPS_StructureInfoOnly.csv	S68_HSDBTPS	S68.0.1.2	11-Jun-20	10.5281/zenodo.3827487	https://www.norman-network.com/nds/SLE/		SMILES	InChIKey		Name|Synonym|Synonym2				
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https://zenodo.org/record/5145471/files/S69_LUXPEST.csv	S69_LUXPEST	S69.0.1.1	29-Jul-21	10.5281/zenodo.3862688	https://www.norman-network.com/nds/SLE/		SMILES	InChIKey		Name|CASRN				
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https://zenodo.org/record/3894828/files/S70_EISUSGCEIMS.csv	S70_EISUSGCEIMS	S70.0.1.0	15-Jun-20	10.5281/zenodo.3894827	https://www.norman-network.com/nds/SLE/		SMILES	StdInChIKey		Name|CAS				
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https://zenodo.org/record/3956587/files/HBM4EU_CECscreen_DB_v3.1.csv	S71_CECSCREEN	S71.0.1.0	22-Jul-20	10.5281/zenodo.3956586	https://www.norman-network.com/nds/SLE/		source_SMILES			CompoundName_main|CAS_main		10.1016/j.envint.2021.106511		
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https://zenodo.org/record/3955665/files/NTUPHTW_20200708.csv	S72_NTUPHTW	S72.0.1.0	22-Jul-20	10.5281/zenodo.3955664	https://www.norman-network.com/nds/SLE/		SMILES	InChIKey		Name|IUPAC_Name|CAS		10.1016/j.scitotenv.2020.141519		
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https://zenodo.org/record/4247792/files/MetXBioDB_substances.csv	S73_METXBIODB	S73.0.1.3	5-Nov-20	10.5281/zenodo.4056560	https://www.norman-network.com/nds/SLE/		SMILES	InChIKey	InChI	Name|Synonym|Synonym2		10.1186/s13321-016-0115-9/		
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https://zenodo.org/record/5708794/files/S74_REFTPS_Substances.csv	S74_REFTPS	S74.0.4.1	17-Nov-21	10.5281/zenodo.4318838	https://www.norman-network.com/nds/SLE/		SMILES	InChIKey		Name|Synonym				
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https://zenodo.org/record/4562688/files/CyanoMetDB_WR_Feb2021.csv	S75_CYANOMETDB	S75.0.1.1	25-Feb-21	10.5281/zenodo.4551528	https://www.norman-network.com/nds/SLE/	CyanoMetDB_Identifier	SMILES	InChlKey	InChI	CompoundName_CSV|Synonyms|IUPAC_name		10.1101/2020.04.16.038703 | 10.1016/j.watres.2021.117017		
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https://zenodo.org/record/4587356/files/LUXPHARMA.csv	S76_LUXPHARMA	S76.0.1.0	6-Mar-21	10.5281/zenodo.4587355	https://www.norman-network.com/nds/SLE/		SMILES	INCHIKEY	INCHI_STRING	CNS_Numero_National|INPUT|PREFERRED_NAME				
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https://zenodo.org/record/4660126/files/FCCdb_FINAL_LIST_v5_wStructures.csv	S77_FCCDB	S77.0.1.1	2-Apr-21	10.5281/zenodo.4625495	https://www.norman-network.com/nds/SLE/		SMILES	InChIKey	InChI	Name|CAS number or CFSAN id		10.1016/j.envint.2020.106225|10.5281/zenodo.4296944		
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https://zenodo.org/record/4746158/files/SLUPestTPs_suspects.csv	S78_SLUPESTTPS	S78.0.1.2	10-May-21	10.5281/zenodo.4687924	https://www.norman-network.com/nds/SLE/		SMILES_curated	InChIKey	InChI	Systematic_name|Substance_name_in_PPDB|CAS_RN		10.1021/acs.est.1c00466		
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https://zenodo.org/record/4744929/files/UACCSCEC_ac1c00142_si_002_TS-5.csv	S79_UACCSCEC	S79.0.1.2	10-May-21	10.5281/zenodo.4704648	https://www.norman-network.com/nds/SLE/		SMILES	InChIKey	InChI	Name|Abbreviation		10.1021/acs.analchem.1c00142		
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https://zenodo.org/record/5029174/files/PFASGLUEGE_Substances.csv	S80_PFASGLUEGE	S80.0.1.0	25-Jun-21	10.5281/zenodo.5029173	https://www.norman-network.com/nds/SLE/	Substance_ID	SMILES	InChIKey	InChI	Name		10.1039/D0EM00291G		
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https://zenodo.org/record/5395357/files/S81_THSTPS_20210831.csv	S81_THSTPS	S81.0.1.1	2-Sep-21	10.5281/zenodo.5394629	https://www.norman-network.com/nds/SLE/		SMILES	InChIKey	InChI	Name|IUPAC_Name				
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https://zenodo.org/record/5500132/files/EAWAGPMT_SuspectList_Kiefer_et_al2021.csv	S82_EAWAGPMT	S82.0.1.0	10-Sep-21	10.5281/zenodo.5500131	https://www.norman-network.com/nds/SLE/		MS_ready_SMILES	MS_ready_InChIKey	InChI	Name		10.1016/j.watres.2021.116994		
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https://zenodo.org/record/5720185/files/CCL5.csv	S83_CCL5	S83.0.1.1	23-Nov-21	10.5281/zenodo.5533801	https://www.norman-network.com/nds/SLE/		SMILES	InChIKey	InChI	Name|Synonym				
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https://zenodo.org/record/5535288/files/UFZ_HSF_SuspectList_PM_candidates_210909.csv	S84_UFZHSFPMT	S84.0.1.0	29-Sep-21	10.5281/zenodo.5535287	https://www.norman-network.com/nds/SLE/		SMILES	InChIKey	InChI	Substance_Name		10.1016/j.watres.2021.117645 | 10.5281/zenodo.5503379		
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https://zenodo.org/record/5665356/files/MICROCYSTINS.csv	S85_MICROCYSTINS	S85.0.1.0	10-Nov-21	10.5281/zenodo.5665355	https://www.norman-network.com/nds/SLE/		SMILES	InChIKey	InChI	Name				
https://zenodo.org/record/5710244/files/TATTOOINK.csv	S86_TATTOOINK	S86.0.1.0	18-Nov-21	10.5281/zenodo.5710243	https://www.norman-network.com/nds/SLE/		SMILES	InChIKey	InChI	Synonym|EC No|CASRN