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1-[(e)-[5-(4-chlorophenyl)furan-2-yl]me…
1-[(e)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-(4-piperazin-1-ylbutyl)imidazolidine-2,4-dione
  • InChIKey: XNIVKBOABXGBLB-MFKUBSTISA-N
  • Compound CID: 10388708
  • Molecular Formula: C22H26ClN5O3
1-[2-[4-[5-chloro-1-(4-fluorophenyl)ind…
1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-4-hydroxyimidazolidin-2-one
  • InChIKey: ISUNIKFVOFAUHU-UHFFFAOYSA-N
  • Compound CID: 21460411
  • Molecular Formula: C24H26ClFN4O2
1-[4-[3-[4-(6-fluoro-1,2-benzisoxazol-3…
1-[4-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]- propoxy]-3-hydroxyphenyl]ethanone
  • InChIKey: JRAOALKNNYGKLE-UHFFFAOYSA-N
  • Compound CID: 11742411
  • Molecular Formula: C23H25FN2O4
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadeca…
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctane-1-sulfonic acid
  • InChIKey: FSVJFJWJQWUNCW-UHFFFAOYSA-N
  • Compound CID: 19027325
  • Molecular Formula: C8H3F15O3S
2-methoxy-n-[[4-(trifluoromethyl)phenyl…
2-methoxy-n-[[4-(trifluoromethyl)phenyl]methyl]-4-[(1,2,4-trioxo-1,3-thiazolidin-5-yl)methyl]benzamide
  • InChIKey: KEOXSUOAVNEEMC-UHFFFAOYSA-N
  • Compound CID: 154699737
  • Molecular Formula: C20H17F3N2O5S
3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Pentadeca…
3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Pentadecafluoro-2-nonanyl hexopyranosiduronic acid
  • InChIKey: HBCRAAGGUPYIKR-UHFFFAOYSA-N
  • Compound CID: 165362519
  • Molecular Formula: C15H13F15O7
3-(3-hydroxy-1-{4-[(2-phenyl-1,3-thiazo…
3-(3-hydroxy-1-{4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]benzyl}-1h-pyrazol-4-yl)propanoic acid
  • InChIKey: FLJUMKJOWRMKTG-UHFFFAOYSA-N
  • Compound CID: 118752983
  • Molecular Formula: C23H21N3O4S
3-hydroxy-1-[4-[4-(5-hydroxypyrimidin-2…
3-hydroxy-1-[4-[4-(5-hydroxypyrimidin-2-yl)piperazin-1-yl]butyl]-4,4-dimethylpiperidine-2,6-dione
  • InChIKey: QQMVSPAEOUEOLJ-UHFFFAOYSA-N
  • Compound CID: 10222057
  • Molecular Formula: C19H29N5O4
4-(3-(3-amino-4-fluoro-1-(pyridin-4-yl)…
4-(3-(3-amino-4-fluoro-1-(pyridin-4-yl)-1h-isoindol-1-yl)phenyl)-1h-imidazol-1-ol
  • InChIKey: NHOIYRIYXINORZ-UHFFFAOYSA-N
  • Compound CID: 137656354
  • Molecular Formula: C22H16FN5O
4-(3-(4-(2,4-diamino-6-ethylpyrimidin-5…
4-(3-(4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl)-4-methoxyphenyl)pyridine 1-oxide
  • InChIKey: MGCUGQVBCWHPAL-UHFFFAOYSA-N
  • Compound CID: 118753249
  • Molecular Formula: C22H23N5O2
4-(3-(4-(2,4-diamino-6-ethylpyrimidin-5…
4-(3-(4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl)-5-methoxyphenyl)pyridine 1-oxide
  • InChIKey: PBYLESSQIWZUEG-UHFFFAOYSA-N
  • Compound CID: 118753221
  • Molecular Formula: C22H23N5O2
4-(3-(4-(2,4-diamino-6-methylpyrimidin-…
4-(3-(4-(2,4-diamino-6-methylpyrimidin-5-yl)but-3-yn-2-yl)-5-methoxyphenyl)pyridine 1-oxide
  • InChIKey: DBVPTSHVZYEAGO-UHFFFAOYSA-N
  • Compound CID: 118753281
  • Molecular Formula: C21H21N5O2
4-ethyl-n-(ethylsulfamoyl)-7-methyl-6,6…
4-ethyl-n-(ethylsulfamoyl)-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-amine
  • InChIKey: HIDIWYKAQSOLPW-UHFFFAOYSA-N
  • Compound CID: 85629606
  • Molecular Formula: C19H28N4O2S
6î±,11î²,17î±,20î²,21-pentahydroxypregn…
6î±,11î²,17î±,20î²,21-pentahydroxypregnan-1,4-diene-3-one (m-x)
  • InChIKey: QKRMHDGBPFZEAB-CWDXWIRYSA-N
  • Compound CID: 101913095
  • Molecular Formula: C21H30O6
6î²,11î²,17î±,20î±,21-pentahydroxypregn…
6î²,11î²,17î±,20î±,21-pentahydroxypregnan-1,4-diene-3-one (m-ix)
  • InChIKey: QKRMHDGBPFZEAB-BTQWEEGISA-N
  • Compound CID: 156621394
  • Molecular Formula: C21H30O6
6î²,11î²,17î±,20î²,21-pentahydroxypregn…
6î²,11î²,17î±,20î²,21-pentahydroxypregnan-1,4-diene-3-one (m-viii)
  • InChIKey: QKRMHDGBPFZEAB-CGLLKXTGSA-N
  • Compound CID: 156621404
  • Molecular Formula: C21H30O6
n-ethyl-2-(2-(4-(2-fluoroethoxy)phenyl)…
n-ethyl-2-(2-(4-(2-fluoroethoxy)phenyl)-5-(hydroxymethyl)-7-methylpyrazolo[1,5-a]pyrimidin-3-yl)acetamide
  • InChIKey: XVEMLJMKAADARM-UHFFFAOYSA-N
  • Compound CID: 118753068
  • Molecular Formula: C20H23FN4O3
{4-[5-(4-fluoro-phenyl)-2-methylsulfany…
{4-[5-(4-fluoro-phenyl)-2-methylsulfanyl-3h-imidazol-4-yl]-pyridin-2-yl}-(1-phenyl-ethyl)-amine
  • InChIKey: VXPWQNBKEIVYIS-OAHLLOKOSA-N
  • Compound CID: 10862355
  • Molecular Formula: C23H21FN4S
(2s,3s,4s,5r,6r)-3,4,5-trihydroxy-6-(5-…
(2s,3s,4s,5r,6r)-3,4,5-trihydroxy-6-(5-methyl-2-propan-2-ylcyclohexyl)oxyoxane-2-carboxylic acid
  • InChIKey: CLJGMBYGTHRUNF-SHLVDPONSA-N
  • Compound CID: 183838
  • Molecular Formula: C16H28O7
(carboxymethyl)dimethyl[3-(3,3,4,4,5,5,…
(carboxymethyl)dimethyl[3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctanesulfonamido)propyl]azanium
  • InChIKey: OKOCIUJVPQKDLL-UHFFFAOYSA-O
  • Compound CID: 118692
  • Molecular Formula: C15H20F13N2O4S+
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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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