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d8 (cl902198)
d8 (cl902198)
  • InChIKey: GRPSLACDWOFBGV-UHFFFAOYSA-N
  • Compound CID: 14297893
  • Molecular Formula: C14H4N2O2S
dabigatran metabolite m324 (bibr1151)
dabigatran metabolite m324 (bibr1151)
  • InChIKey: PLWQWQUVUDJPFA-UHFFFAOYSA-N
  • Compound CID: 69624070
  • Molecular Formula: C17H17N5O2
darunavir metabolite 19, r374699
darunavir metabolite 19, r374699
  • InChIKey: NUMJNKDUHFCFJO-VQTJNVASSA-N
  • Compound CID: 9888792
  • Molecular Formula: C20H29N3O3S
darunavir metabolite 33, r330689
darunavir metabolite 33, r330689
  • InChIKey: SNQVQNQWAPHMDK-HEXNFIEUSA-N
  • Compound CID: 16729878
  • Molecular Formula: C27H37N3O8S
delta-3,4,5,6-tetrachlorocyclohexene
delta-3,4,5,6-tetrachlorocyclohexene
  • InChIKey: CHTOKGBXCBVHQO-UHFFFAOYSA-N
  • Compound CID: 15691
  • Molecular Formula: C6H6Cl4
Di(demethyl)-di(hydroxymethyl)dpa-714
Di(demethyl)-di(hydroxymethyl)dpa-714
  • InChIKey: LHPXGUQPDQIIDB-UHFFFAOYSA-N
  • Compound CID: 118753119
  • Molecular Formula: C22H27FN4O4
ethofumesate-2-hydroxy (nc 8493)
ethofumesate-2-hydroxy (nc 8493)
  • InChIKey: KNHJTPLSWOEZHZ-UHFFFAOYSA-N
  • Compound CID: 536079
  • Molecular Formula: C11H14O5S
hwg 1608-desbutyl (m15)
hwg 1608-desbutyl (m15)
  • InChIKey: IVSJGQBRDCCMIM-UHFFFAOYSA-N
  • Compound CID: 139595492
  • Molecular Formula: C12H14ClN3O
hwg 1608-ketodesbutyl (m16)
hwg 1608-ketodesbutyl (m16)
  • InChIKey: ISNFABYLLXYESP-UHFFFAOYSA-N
  • Compound CID: 139595461
  • Molecular Formula: C12H12ClN3O
hwg 1608-lactone (m17)
hwg 1608-lactone (m17)
  • InChIKey: DVLMVKDOFMLUEE-UHFFFAOYSA-N
  • Compound CID: 102332589
  • Molecular Formula: C11H17N3O2
ibrutinib metabolite pci-7503 (m23)
ibrutinib metabolite pci-7503 (m23)
  • InChIKey: GPSQYTDPBDNDGI-MRXNPFEDSA-N
  • Compound CID: 58223272
  • Molecular Formula: C22H22N6O
jnj-10198409
jnj-10198409
  • InChIKey: ZDNURMVOKAERHZ-UHFFFAOYSA-N
  • Compound CID: 9797370
  • Molecular Formula: C18H16FN3O2
m38 (hec 5725-amide)
m38 (hec 5725-amide)
  • InChIKey: DPNOYUYIQDKVTL-XYGWBWBKSA-N
  • Compound CID: 139033185
  • Molecular Formula: C19H14ClFN4O4
metabolite 1 (rpa 404766)
metabolite 1 (rpa 404766)
  • InChIKey: ICRKDZGIACRTIL-OFZZUYHDSA-N
  • Compound CID: 139595726
  • Molecular Formula: C17H20ClN3O2
metabolite 3 (rpa 406341)
metabolite 3 (rpa 406341)
  • InChIKey: ICRKDZGIACRTIL-WFIKUFSXSA-N
  • Compound CID: 139595374
  • Molecular Formula: C17H20ClN3O2
n,n'-diacetyl-3,3'-dimethylbenzidine
n,n'-diacetyl-3,3'-dimethylbenzidine
  • InChIKey: YYWOGMJTPSCQAN-UHFFFAOYSA-N
  • Compound CID: 626583
  • Molecular Formula: C18H20N2O2
n-(3,3-dimethylbutyl)-l-aspartic acid
n-(3,3-dimethylbutyl)-l-aspartic acid
  • InChIKey: SOEVTYGIGRHGQE-ZETCQYMHSA-N
  • Compound CID: 9815811
  • Molecular Formula: C10H19NO4
n-(ethoxymethyl)-2-ethyl-6-methylaniline
n-(ethoxymethyl)-2-ethyl-6-methylaniline
  • InChIKey: SQWPFHMYQCSKPP-UHFFFAOYSA-N
  • Compound CID: 89188136
  • Molecular Formula: C12H19NO
n-allyl-4,5-dimethylthiophene-3-carboxa…
n-allyl-4,5-dimethylthiophene-3-carboxamide
  • InChIKey: DGCYKBAFUIYUEX-UHFFFAOYSA-N
  • Compound CID: 84557985
  • Molecular Formula: C10H13NOS
n-cyclopropylmethoxy-2,3-difluoro-6-tri…
n-cyclopropylmethoxy-2,3-difluoro-6-trifluoromethylbenzamidine
  • InChIKey: GATGRGDKTXQMNK-UHFFFAOYSA-N
  • Compound CID: 11130163
  • Molecular Formula: C12H11F5N2O
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Funding support from the European Union’s Horizon 2020 research and innovation program under Grant Agreement No. 101036756 for project “ZeroPM: Zero pollution of persistent, mobile substances”

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