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17-[2-[4-[2-(3-hydroxypyrrolidin-1-yl)-…
17-[2-[4-[2-(3-hydroxypyrrolidin-1-yl)-6-pyrrolidin-1-ylpyrimidin-4-yl]piperazin-1-yl]acetyl]-10,13,16-trimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
  • InChIKey: FBPWEMVQZBGIRA-UHFFFAOYSA-N
  • Compound CID: 154699585
  • Molecular Formula: C38H52N6O3
17-[2-[4-[6-(3-hydroxypyrrolidin-1-yl)-…
17-[2-[4-[6-(3-hydroxypyrrolidin-1-yl)-2-pyrrolidin-1-ylpyrimidin-4-yl]piperazin-1-yl]acetyl]-10,13,16-trimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
  • InChIKey: KPYNFQOGMHAHOB-UHFFFAOYSA-N
  • Compound CID: 154699747
  • Molecular Formula: C38H52N6O3
(2S,3S,4S,5R)-6-[7-[(1R,5S)-6-amino-3-a…
(2S,3S,4S,5R)-6-[7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
  • InChIKey: GTZVGNAECYGIIQ-VRAMAHGZSA-N
  • Compound CID: 154699624
  • Molecular Formula: C26H23F3N4O9
5-Hydroxy-3,13,21-triazapentacyclo[11.8…
5-Hydroxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4(9),5,7,15,17,19-octaen-14-one
  • InChIKey: ZJQXOYNZSJVQDA-UHFFFAOYSA-N
  • Compound CID: 136734739
  • Molecular Formula: C18H13N3O2
6-Hydroxy-3,13,21-triazapentacyclo[11.8…
6-Hydroxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4(9),5,7,15,17,19-octaen-14-one
  • InChIKey: LZNDAOKPOOIXKH-UHFFFAOYSA-N
  • Compound CID: 136734737
  • Molecular Formula: C18H13N3O2
7-Hydroxy-3,13,21-triazapentacyclo[11.8…
7-Hydroxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4(9),5,7,15,17,19-octaen-14-one
  • InChIKey: OLMHRSLUDJARDO-UHFFFAOYSA-N
  • Compound CID: 102351043
  • Molecular Formula: C18H13N3O2
8-Hydroxy-3,13,21-triazapentacyclo[11.8…
8-Hydroxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4(9),5,7,15,17,19-octaen-14-one
  • InChIKey: HOKAQDWBHPUJBU-UHFFFAOYSA-N
  • Compound CID: 136734738
  • Molecular Formula: C18H13N3O2
[(3R,8S,9S,10R,13S,14S,17R)-13-ethyl-17…
[(3R,8S,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-11-methylidene-1,2,3,6,7,8,9,10,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate
  • InChIKey: SFLFQWSDLZNFPJ-JASYKLOUSA-N
  • Compound CID: 154699951
  • Molecular Formula: C22H30O5S
N-(2,10-dihydroxy-5,8-dioxo-4-propan-2-…
N-(2,10-dihydroxy-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
  • InChIKey: HOCPALPQPRWWDP-UHFFFAOYSA-N
  • Compound CID: 154699650
  • Molecular Formula: C28H35N5O6
(2S,3S,4S,5R,6R)-6-((R)-1-(4-(4-fluoro-…
(2S,3S,4S,5R,6R)-6-((R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methylpyrrolo[1,2-f][1,2,4]triazin-6-yloxy)propan-2-yloxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
  • InChIKey: TYHCOOSLCVMBBW-IYYXUBSOSA-N
  • Compound CID: 51353032
  • Molecular Formula: C25H27FN4O9
(2S,3S,4S,5R)-3,4,5-Trihydroxy-6-[[(8R,…
(2S,3S,4S,5R)-3,4,5-Trihydroxy-6-[[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid
  • InChIKey: FJAZVHYPASAQKM-AYGAEXAVSA-N
  • Compound CID: 13783435
  • Molecular Formula: C24H30O8
(2S,3S,4S,5R)-6-[[(4R,4Ar,7S,7aR,12bS)-…
(2S,3S,4S,5R)-6-[[(4R,4Ar,7S,7aR,12bS)-7-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
  • InChIKey: WAEXKFONHRHFBZ-QMGRMYLDSA-N
  • Compound CID: 18595497
  • Molecular Formula: C23H27NO9
(2S,3S,4S,5R)-6-[[(4R,4Ar,7S,7aR,12bS)-…
(2S,3S,4S,5R)-6-[[(4R,4Ar,7S,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
  • InChIKey: GNJCUHZOSOYIEC-FJUCOFCUSA-N
  • Compound CID: 9847115
  • Molecular Formula: C23H27NO9
(2S,3S,4S,5R)-6-[[(4R,4Ar,7S,7aR,12bS)-…
(2S,3S,4S,5R)-6-[[(4R,4Ar,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
  • InChIKey: CRWVOYRJXPDBPM-CJXISONYSA-N
  • Compound CID: 21309489
  • Molecular Formula: C24H29NO9
(2S,3S,4S,5R,6S)-6-(5-((1R)-2-(5-ethyl-…
(2S,3S,4S,5R,6S)-6-(5-((1R)-2-(5-ethyl-6-(1-hydroxyethyl)-2,3-dihydro-1H-inden-2-ylamino)-1-hydroxyethyl)-2-oxo-1,2-dihydroquinolin-8-yloxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
  • InChIKey: BVTBCVRDIGHXMX-HNGGEHJHSA-N
  • Compound CID: 118753331
  • Molecular Formula: C30H36N2O10
12-hexacyclo[11.7.1.14,20.02,11.03,8.01…
12-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaenylmethyl hydrogen sulfate
  • InChIKey: NVLCELHVDANZKF-UHFFFAOYSA-N
  • Compound CID: 154699827
  • Molecular Formula: C23H14O4S
5-bromo-N-[2,10-dihydroxy-7-(2-methylpr…
5-bromo-N-[2,10-dihydroxy-7-(2-methylpropyl)-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
  • InChIKey: NZGWOMCNZDKBSR-UHFFFAOYSA-N
  • Compound CID: 154699832
  • Molecular Formula: C32H40BrN5O6
5-bromo-N-[2,11-dihydroxy-7-(2-methylpr…
5-bromo-N-[2,11-dihydroxy-7-(2-methylpropyl)-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
  • InChIKey: XNJNYHSBPHWTQL-UHFFFAOYSA-N
  • Compound CID: 154700089
  • Molecular Formula: C32H40BrN5O6
(2S,3S,4S,5R)-3,4,5-trihydroxy-6-[1-met…
(2S,3S,4S,5R)-3,4,5-trihydroxy-6-[1-methyl-4-(8-oxo-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)piperidin-1-ium-1-yl]oxane-2-carboxylic acid
  • InChIKey: WLTPAELNPGRIGG-NBPDIXIKSA-O
  • Compound CID: 154700056
  • Molecular Formula: C25H28NO7S+
(2S,3S,4S,5R)-6-[[(4R,4aR,7aR,12bS)-7-h…
(2S,3S,4S,5R)-6-[[(4R,4aR,7aR,12bS)-7-hydroxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
  • InChIKey: KCPRJVDBLLJBMF-GONAIESISA-N
  • Compound CID: 154699733
  • Molecular Formula: C23H29NO9
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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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