Standard Article

Analytical and Safety Aspects of Organic Peroxides and Related Functional Groups

Peroxides (2006)

  1. Jacob Zabicky

Published Online: 15 DEC 2009

DOI: 10.1002/9780470682531.pat0353

Patai's Chemistry of Functional Groups

Patai's Chemistry of Functional Groups

How to Cite

Zabicky, J. 2009. Analytical and Safety Aspects of Organic Peroxides and Related Functional Groups. Patai's Chemistry of Functional Groups. .

Author Information

  1. Ben-Gurion University of the Negev, Institutes for Applied Research, Department of Chemical Engineering, Beer-Sheva, Israel

Publication History

  1. Published Online: 15 DEC 2009

Abstract

  • 1
    Introduction
  • 2
    Hydrogen Peroxide
  • 3
    Oxidation Indices
  • 4
    Hydroperoxides
  • 5
    Peroxyacids and their Functional Derivatives
  • 6
    Dialkyl Peroxides
  • 7
    Ozonides
  • 8
    Miscellaneous Functions Bearing the O[BOND]O Group
  • 9
    Safety Issues
  • 10
    Acknowledgments

Keywords:

  • peroxides in nature and technological world;
  • organic peroxides - analytical and safety aspects;
  • chemometric approach in analytical methods;
  • limits of detection (LOD) and quantitation (LOQ);
  • Kingzett method for determination of aqueous H2O2;
  • oxidation indices;
  • CID fragmentation paths of primary complex of bis(t -butoxycarbonyl) peroxide;
  • Criegee's ozonide formation and ozonolysis

Featured Compounds

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  1. 1 - 250
Compound 189a
Molecular Weight:64.0407
Molecular Formula:CH4O3
InChIKey:NEZWFWIACBUQMN-UHFFFAOYSA-N
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Compound 189b
Molecular Weight:78.0672
Molecular Formula:C2H6O3
InChIKey:HSMZCCZZTKIAAI-UHFFFAOYSA-N
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Compound 1
Molecular Weight:147.0102
Molecular Formula:CF3NO4
InChIKey:IRCOOTKZKSUTLW-UHFFFAOYSA-N
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Compound 3
Molecular Weight:175.0203
Molecular Formula:C2F3NO5
InChIKey:RVINLGAKTAPHME-UHFFFAOYSA-N
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Compound 4
Molecular Weight:258.0296
Molecular Formula:C4F6O6
InChIKey:GJQZMKPFRNSQSI-UHFFFAOYSA-N
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Compound 5
Molecular Weight:192.0227
Molecular Formula:C3F4O5
InChIKey:GSTWFIHMOZHKDM-UHFFFAOYSA-N
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Compound 6
Molecular Weight:274.029
Molecular Formula:C4F6O7
InChIKey:VZRDBAIRHBJYAH-UHFFFAOYSA-N
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Compound 2
Molecular Weight:125.0128
Molecular Formula:CFNO5
InChIKey:VJHQIQCNVOBFLK-UHFFFAOYSA-N
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Compound 8
Molecular Weight:499.43
Molecular Formula:C16H10N2O11S3
InChIKey:CNNOYTGBYSBIAQ-BUHFOSPRSA-K
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Compound 9
Molecular Weight:228.2863
Molecular Formula:C15H16O2
InChIKey:IISBACLAFKSPIT-UHFFFAOYSA-N
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Compound 10
Molecular Weight:168.2328
Molecular Formula:C10H16O2
InChIKey:MGYMHQJELJYRQS-VHSXEESVSA-N
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Compound 11
Molecular Weight:282.3322
Molecular Formula:C15H22O5
InChIKey:BLUAFEHZUWYNDE-NNWCWBAJSA-N
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Compound 12
Molecular Weight:270.3645
Molecular Formula:C15H26O4
InChIKey:CWGVNUWQWUADFX-IJOGBMPNSA-N
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Compound 13
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 14
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 15
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 16
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 17
Molecular Weight:540.7291
Molecular Formula:C30H52O8
InChIKey:QLFRXAKUUDRERJ-BOWISWASSA-N
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Compound 18a
Molecular Weight:406.5555
Molecular Formula:C24H38O5
InChIKey:AAJUINQOJSADQB-MOPBCZAMSA-N
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Compound 18b
Molecular Weight:420.5821
Molecular Formula:C25H40O5
InChIKey:SNBDLVZWQJBVDH-VKFADDHZSA-N
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Compound 16a
Molecular Weight:284.3911
Molecular Formula:C16H28O4
InChIKey:MGKNQXFITJESCW-UHFFFAOYSA-N
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Compound 16b
Molecular Weight:256.338
Molecular Formula:C14H24O4
InChIKey:BWHFYUOPHARNMG-UHFFFAOYSA-N
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Compound 16c
Molecular Weight:256.338
Molecular Formula:C14H24O4
InChIKey:IEJOGNKZBRUBBL-UHFFFAOYSA-N
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Compound 19
Molecular Weight:286.407
Molecular Formula:C16H30O4
InChIKey:BIBCGTFDNIZHFK-IJEWVQPXSA-N
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Compound 20a
Molecular Weight:284.3911
Molecular Formula:C16H28O4
InChIKey:HZBLNAHIQCGRAY-JCYOYESHSA-N
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Compound 20b
Molecular Weight:270.3645
Molecular Formula:C15H26O4
InChIKey:BAKJVBVQCDUJOC-ZBLHKVTASA-N
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Compound 215a
Molecular Weight:169.1778
Molecular Formula:C8H11NO3
InChIKey:LXNHXLLTXMVWPM-UHFFFAOYSA-N
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Compound 21
Molecular Weight:430.7061
Molecular Formula:C29H50O2
InChIKey:GVJHHUAWPYXKBD-IEOSBIPESA-N
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Compound 22
Molecular Weight:176.1241
Molecular Formula:C6H8O6
InChIKey:CIWBSHSKHKDKBQ-DOAHDZERSA-N
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Compound 23
Molecular Weight:516.842
Molecular Formula:C31H48O2S2
InChIKey:FYPMFJGVHOHGLL-UHFFFAOYSA-N
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Compound 24
Molecular Weight:504.6256
Molecular Formula:C24H40N8O4
InChIKey:Not Available
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Compound 25
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 188
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 26
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 27
Molecular Weight:152.1904
Molecular Formula:C9H12O2
InChIKey:YQHLDYVWEZKEOX-UHFFFAOYSA-N
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Compound 28
Molecular Weight:307.323
Molecular Formula:C10H17N3O6S
InChIKey:RWSXRVCMGQZWBV-WDSKDSINSA-N
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Compound 29
Molecular Weight:168.1103
Molecular Formula:C5H4N4O3
InChIKey:LEHOTFFKMJEONL-UHFFFAOYSA-N
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Compound 30
Molecular Weight:197.1879
Molecular Formula:C9H11NO4
InChIKey:Not Available
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Compound 31
Molecular Weight:393.4342
Molecular Formula:C19H27N3O6
InChIKey:FVGOGEGGQLNZGH-NNKZFNQJSA-N
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Compound 32
Molecular Weight:154.1665
Molecular Formula:C7H10N2O2
InChIKey:SDMNFUKYUGGKNV-LURJTMIESA-N
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Compound 33
Molecular Weight:146.1876
Molecular Formula:C6H14N2O2
InChIKey:KDXKERNSBIXSRK-YFKPBYRVSA-N
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Compound 34
Molecular Weight:117.1463
Molecular Formula:C5H11NO2
InChIKey:KZSNJWFQEVHDMF-BYPYZUCNSA-N
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Compound 35
Molecular Weight:181.1885
Molecular Formula:C9H11NO3
InChIKey:OUYCCCASQSFEME-QMMMGPOBSA-N
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Compound 36
Molecular Weight:204.2252
Molecular Formula:C11H12N2O2
InChIKey:QIVBCDIJIAJPQS-VIFPVBQESA-N
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Compound 37
Molecular Weight:236.224
Molecular Formula:C11H12N2O4
InChIKey:BYHJHXPTQMMKCA-QMMMGPOBSA-N
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Compound 38
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 39
Molecular Weight:175.184
Molecular Formula:C10H9NO2
InChIKey:SEOVTRFCIGRIMH-UHFFFAOYSA-N
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Compound 40
Molecular Weight:163.1733
Molecular Formula:C9H9NO2
InChIKey:PYXMCXFRIXVRPQ-UHFFFAOYSA-N
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Compound 41
Molecular Weight:163.1733
Molecular Formula:C9H9NO2
InChIKey:VTCQUDZNRKSJFY-UHFFFAOYSA-N
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Compound 42
Molecular Weight:242.2286
Molecular Formula:C10H14N2O5
InChIKey:IQFYYKKMVGJFEH-XLPZGREQSA-N
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Compound 43
Molecular Weight:126.1133
Molecular Formula:C5H6N2O2
InChIKey:RWQNBRDOKXIBIV-UHFFFAOYSA-N
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Compound 44
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 45
Molecular Weight:313.3047
Molecular Formula:C17H15NO5
InChIKey:MWYNAXFTYKUGIA-CMDGGOBGSA-N
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Compound 46
Molecular Weight:122.1198
Molecular Formula:C4H10O4
InChIKey:GIHSGBFMYFAEDX-UHFFFAOYSA-N
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Compound 47
Molecular Weight:210.2249
Molecular Formula:C8H18O6
InChIKey:WFUGQJXVXHBTEM-UHFFFAOYSA-N
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Compound 48
Molecular Weight:94.0699
Molecular Formula:CH6N2O3
InChIKey:AQLJVWUFPCUVLO-UHFFFAOYSA-N
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Compound 49
Molecular Weight:140.0031
Molecular Formula:CH2Na2O5
InChIKey:MFLMBWASGCAJGO-UHFFFAOYSA-L
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Compound 50
Molecular Weight:354.524
Molecular Formula:C21H38O4
InChIKey:NLKLMMUAFIEQIC-UHFFFAOYSA-N
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Compound 51
Molecular Weight:302.4495
Molecular Formula:C17H34O4
InChIKey:NALFRYPTRXKZPN-UHFFFAOYSA-N
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Compound 52
Molecular Weight:132.1146
Molecular Formula:C5H8O4
InChIKey:LYZQMUWSEMEDHM-SYDPRGILSA-N
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Compound 53
Molecular Weight:246.3001
Molecular Formula:C12H22O5
InChIKey:UICXTANXZJJIBC-UHFFFAOYSA-N
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Compound 54
Molecular Weight:Not Available
Molecular Formula:(CH2)nC5H8O6
InChIKey:OPZCRWCUWINBJA-UHFFFAOYSA-N
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Compound 55
Molecular Weight:182.1302
Molecular Formula:C8H6O5
InChIKey:GLVYLTSKTCWWJR-UHFFFAOYSA-N
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Compound 56a
Molecular Weight:176.2102
Molecular Formula:C8H16O4
InChIKey:KDGNCLDCOVTOCS-UHFFFAOYSA-N
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Compound 56b
Molecular Weight:246.3431
Molecular Formula:C13H26O4
InChIKey:LYZJIWZHZCPPSQ-UHFFFAOYSA-N
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Compound 56c
Molecular Weight:260.3697
Molecular Formula:C14H28O4
InChIKey:OSMHCAKXJJDWEM-UHFFFAOYSA-N
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Compound 241a
Molecular Weight:242.2268
Molecular Formula:C14H10O4
InChIKey:Not Available
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Compound 57
Molecular Weight:Not Available
Molecular Formula:(CH2)n(CH2)nC4H6O4
InChIKey:KOPQZJAYZFAPBC-UHFFFAOYSA-N
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Compound 58
Molecular Weight:234.1602
Molecular Formula:C8H10O8
InChIKey:MKTOIPPVFPJEQO-UHFFFAOYSA-N
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Compound 59
Molecular Weight:346.459
Molecular Formula:C18H34O6
InChIKey:ZACVGCNKGYYQHA-UHFFFAOYSA-N
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Compound 60
Molecular Weight:191.475
Molecular Formula:C2ClF2NO5
InChIKey:QOIJNUMOQUWVKB-UHFFFAOYSA-N
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Compound 61
Molecular Weight:386.55
Molecular Formula:C16H10MgO10
InChIKey:PIOZZBNFRIZETM-UHFFFAOYSA-L
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Compound 62
Molecular Weight:346.3359
Molecular Formula:K4O8P2
InChIKey:YVDPOVXIRVBNAL-UHFFFAOYSA-J
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Compound 63a
Molecular Weight:228.202
Molecular Formula:H8N2O8S2
InChIKey:ROOXNKNUYICQNP-UHFFFAOYSA-N
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Compound 63b
Molecular Weight:238.105
Molecular Formula:Na2O8S2
InChIKey:CHQMHPLRPQMAMX-UHFFFAOYSA-L
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Compound 63c
Molecular Weight:270.322
Molecular Formula:K2O8S2
InChIKey:Not Available
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Compound 56
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 63
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 64
Molecular Weight:158.1154
Molecular Formula:C4H6N4O3
InChIKey:POJWUDADGALRAB-UHFFFAOYSA-N
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Compound 65
Molecular Weight:180.1559
Molecular Formula:C6H12O6
InChIKey:WQZGKKKJIJFFOK-VFUOTHLCSA-N
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Compound 66
Molecular Weight:178.14
Molecular Formula:C6H10O6
InChIKey:PHOQVHQSTUBQQK-SQOUGZDYSA-N
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Compound 67
Molecular Weight:170.0589
Molecular Formula:C3H9O6P
InChIKey:AWUCVROLDVIAJX-UHFFFAOYSA-L
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Compound 68
Molecular Weight:153.1784
Molecular Formula:C8H11NO2
InChIKey:VYFYYTLLBUKUHU-UHFFFAOYSA-N
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Compound 69
Molecular Weight:68.0773
Molecular Formula:C3H4N2
InChIKey:RAXXELZNTBOGNW-UHFFFAOYSA-N
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Compound 70
Molecular Weight:254.2806
Molecular Formula:C16H14O3
InChIKey:DKYWVDODHFEZIM-UHFFFAOYSA-N
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Compound 119
Molecular Weight:192.1681
Molecular Formula:C10H8O4
InChIKey:RODXRVNMMDRFIK-UHFFFAOYSA-N
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Compound 71
Molecular Weight:684.667
Molecular Formula:C32H32N2O13S
InChIKey:XTAUDQGIBDOFDD-UHFFFAOYSA-N
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Compound 72
Molecular Weight:113.1179
Molecular Formula:C4H7N3O
InChIKey:Not Available
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Compound 73
Molecular Weight:354.376
Molecular Formula:C19H14O5S
InChIKey:BELBBZDIHDAJOR-UHFFFAOYSA-N
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Compound 74
Molecular Weight:576.166
Molecular Formula:C19H12Br2O9S
InChIKey:YJCROBBLFUDXCG-UHFFFAOYSA-N
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Compound 75a
Molecular Weight:651.94
Molecular Formula:C34H32ClFeN4O4
InChIKey:BTIJJDXEELBZFS-HXFTUNQESA-K
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Compound 76
Molecular Weight:320.3386
Molecular Formula:C20H16O4
InChIKey:FFFPYJTVNSSLBQ-UHFFFAOYSA-N
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Compound 77
Molecular Weight:318.3228
Molecular Formula:C20H14O4
InChIKey:KJFMBFZCATUALV-UHFFFAOYSA-N
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Compound 75b
Molecular Weight:633.495
Molecular Formula:C34H33FeN4O5
InChIKey:BMUDPLZKKRQECS-HXFTUNQESA-K
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Compound 75c
Molecular Weight:616.487
Molecular Formula:C34H32FeN4O4
InChIKey:KABFMIBPWCXCRK-RGGAHWMASA-L
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Compound 78
Molecular Weight:373.5337
Molecular Formula:C25H31N3
InChIKey:OAZWDJGLIYNYMU-UHFFFAOYSA-N
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Compound 79
Molecular Weight:372.5258
Molecular Formula:C25H30N3
InChIKey:LGLFFNDHMLKUMI-UHFFFAOYSA-N
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Compound 188b
Molecular Weight:62.0678
Molecular Formula:C2H6O2
InChIKey:ILHIHKRJJMKBEE-UHFFFAOYSA-N
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Compound 80
Molecular Weight:310.778
Molecular Formula:C18H15ClN2O
InChIKey:HWYNRVXFYFQSID-UHFFFAOYSA-M
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Compound 81
Molecular Weight:203.2404
Molecular Formula:C11H13N3O
InChIKey:RLFWWDJHLFCNIJ-UHFFFAOYSA-N
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Compound 82
Molecular Weight:321.3957
Molecular Formula:C19H21N4O
InChIKey:YHLSXVLNLWLCLX-UHFFFAOYSA-N
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Compound 83
Molecular Weight:1134.9843
Molecular Formula:C42H70O35
InChIKey:WHGYBXFWUBPSRW-FOUAGVGXSA-N
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Compound 84
Molecular Weight:868.708
Molecular Formula:C24H16FeO16S8
InChIKey:BNNJLNRHKMAMJI-UHFFFAOYSA-J
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Compound 85a
Molecular Weight:293.3199
Molecular Formula:C17H15N3O2
InChIKey:OBIVSSBPXGHUBC-UHFFFAOYSA-N
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Compound 86a
Molecular Weight:327.765
Molecular Formula:C17H14ClN3O2
InChIKey:BUBHQFQBWQZOAK-XMHGGMMESA-N
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Compound 87a
Molecular Weight:943.9
Molecular Formula:C40H36MnN4O12S4
InChIKey:NLNXRVWBEGGERT-VDUIZXOZSA-J
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Compound 85b
Molecular Weight:307.3465
Molecular Formula:C18H17N3O2
InChIKey:PGAWAZRQIWNBEL-KNTRCKAVSA-N
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Compound 88
Molecular Weight:243.065
Molecular Formula:C6H4Cl2O4S
InChIKey:LWKJNIMGNUTZOO-UHFFFAOYSA-N
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Compound 86b
Molecular Weight:372.376
Molecular Formula:C17H15N3O5S
InChIKey:PGTNIJZUSJFRCV-NBVRZTHBSA-M
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Compound 87b
Molecular Weight:944.807
Molecular Formula:C40H36FeN4O12S4
InChIKey:ZYCJZJGANGFOLR-VDUIZXOZSA-J
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Compound 87c
Molecular Weight:659.7802
Molecular Formula:C40H40AlN8
InChIKey:RAJUYRYJROIOAG-VDUIZXOZSA-N
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Compound 89
Molecular Weight:240.3434
Molecular Formula:C16H20N2
InChIKey:YRNWIFYIFSBPAU-UHFFFAOYSA-N
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Compound 90
Molecular Weight:342.458
Molecular Formula:C18H22N4OS
InChIKey:XEZFKMUDMLXWAW-UHFFFAOYSA-N
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Compound 91
Molecular Weight:284.399
Molecular Formula:C16H18N3S
InChIKey:RBTBFTRPCNLSDE-UHFFFAOYSA-N
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Compound 92
Molecular Weight:318.367
Molecular Formula:C13H21NO6S
InChIKey:BTIDJAQNJLWPTI-UHFFFAOYSA-M
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Compound 93
Molecular Weight:212.2902
Molecular Formula:C14H16N2
InChIKey:NUIURNJTPRWVAP-UHFFFAOYSA-N
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Compound 94
Molecular Weight:272.341
Molecular Formula:C12H19NO4S
InChIKey:STBWJPWQQLXSCK-UHFFFAOYSA-M
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Compound 95
Molecular Weight:179.242
Molecular Formula:C8H9N3S
InChIKey:PHOLIFLKGONSGY-NTMALXAHSA-N
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Compound 96
Molecular Weight:166.1374
Molecular Formula:C6H6N4O2
InChIKey:BAHDNHFCSRUAJM-UHFFFAOYSA-N
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Compound 97
Molecular Weight:389.381
Molecular Formula:C21H11NO5S
InChIKey:IBTXVINDTFOAMU-UHFFFAOYSA-N
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Compound 98
Molecular Weight:331.391
Molecular Formula:C12H21N5O4S
InChIKey:KYHUBFIOWQTECH-UHFFFAOYSA-N
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Compound 99
Molecular Weight:214.2631
Molecular Formula:C13H14N2O
InChIKey:RBLUJIWKMSZIMK-UHFFFAOYSA-N
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Compound 100
Molecular Weight:210.2346
Molecular Formula:C12H10N4
InChIKey:VZPGINJWPPHRLS-UHFFFAOYSA-N
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Compound 101
Molecular Weight:94.0666
Molecular Formula:C2H6O4
InChIKey:JLJXMZMKMRQOLN-UHFFFAOYSA-N
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Compound 102
Molecular Weight:349.226
Molecular Formula:C15H17BrN4O
InChIKey:HNVCXDAVEHOIBP-UHFFFAOYSA-N
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Compound 103
Molecular Weight:514.619
Molecular Formula:C18H18N4O6S4
InChIKey:ZTOJFFHGPLIVKC-CLFAGFIQSA-N
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Compound 166
Molecular Weight:123.1525
Molecular Formula:C7H9NO
InChIKey:BHAAPTBBJKJZER-UHFFFAOYSA-N
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Compound 104
Molecular Weight:913.518
Molecular Formula:C35H33Fe2N10O9S2
InChIKey:NFSOPRVKVOVGEM-UHFFFAOYSA-J
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Compound 105
Molecular Weight:851.469
Molecular Formula:C35H35Fe2N10O7S
InChIKey:MBBLOEAUWJZGFT-UHFFFAOYSA-L
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Compound 106a
Molecular Weight:152.1473
Molecular Formula:C8H8O3
InChIKey:XQXPVVBIMDBYFF-UHFFFAOYSA-N
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Compound 107a
Molecular Weight:302.2788
Molecular Formula:C16H14O6
InChIKey:DDMKRZXDPHEQFG-UHFFFAOYSA-N
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Compound 140
Molecular Weight:448.897
Molecular Formula:C14H4Cl6O4
InChIKey:GEVPIWPYWJZSPR-UHFFFAOYSA-N
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Compound 106b
Molecular Weight:166.1739
Molecular Formula:C9H10O3
InChIKey:NMHMNPHRMNGLLB-UHFFFAOYSA-N
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Compound 107b
Molecular Weight:330.3319
Molecular Formula:C18H18O6
InChIKey:JSLJDVDIJOCSLY-UHFFFAOYSA-N
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Compound 108
Molecular Weight:162.1885
Molecular Formula:C9H10N2O
InChIKey:BEAJCHFCYQOFGS-UHFFFAOYSA-N
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Compound 110
Molecular Weight:186.2132
Molecular Formula:C10H10N4
InChIKey:DFCDQVBFOUPTOH-UHFFFAOYSA-N
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Compound 109
Molecular Weight:160.1726
Molecular Formula:C9H8N2O
InChIKey:BMIMNRPAEPIYDN-UHFFFAOYSA-N
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Compound 111
Molecular Weight:184.1973
Molecular Formula:C10H8N4
InChIKey:SYYBUHGEJOLWRM-UHFFFAOYSA-N
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Compound 112
Molecular Weight:336.295
Molecular Formula:C19H12O6
InChIKey:GRWQEXZZWRVXDZ-UHFFFAOYSA-N
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Compound 113
Molecular Weight:521.109
Molecular Formula:C21H27Cl4FeN2O
InChIKey:SUVPQRYDMCNTPV-UHFFFAOYSA-J
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Compound 114
Molecular Weight:487.286
Molecular Formula:C24H16Cl2O7
InChIKey:PXEZTIWVRVSYOK-UHFFFAOYSA-N
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Compound 115
Molecular Weight:400.189
Molecular Formula:C20H10Cl2O5
InChIKey:DEKLBBNTWGKTGV-UHFFFAOYSA-M
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Compound 116
Molecular Weight:306.3154
Molecular Formula:C18H14N2O3
InChIKey:ZZSJOLDICPVVAV-YBFXNURJSA-N
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Compound 117
Molecular Weight:300.808
Molecular Formula:C12H17ClN4OS
InChIKey:MYVIATVLJGTBFV-UHFFFAOYSA-M
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Compound 118
Molecular Weight:296.776
Molecular Formula:C12H13ClN4OS
InChIKey:AZSSLSCDOOEEFZ-UHFFFAOYSA-M
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Compound 120
Molecular Weight:265.333
Molecular Formula:C15H11N3S
InChIKey:PPNJVMBOIQMXAY-UHFFFAOYSA-N
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Compound 121a
Molecular Weight:215.2048
Molecular Formula:C12H9NO3
InChIKey:QYSWYZJMJYEEGC-UHFFFAOYSA-N
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Compound 121b
Molecular Weight:257.2414
Molecular Formula:C14H11NO4
InChIKey:PKYCWFICOKSIHZ-UHFFFAOYSA-N
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Compound 122
Molecular Weight:213.1889
Molecular Formula:C12H7NO3
InChIKey:HSSLDCABUXLXKM-UHFFFAOYSA-N
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Compound 124
Molecular Weight:177.1601
Molecular Formula:C8H7N3O2
InChIKey:HWYHZTIRURJOHG-UHFFFAOYSA-N
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Compound 190
Molecular Weight:177.1601
Molecular Formula:C8H7N3O2
InChIKey:HWYHZTIRURJOHG-UHFFFAOYSA-N
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Compound 123
Molecular Weight:491.436
Molecular Formula:C23H17F3NO6S
InChIKey:OKYRYDAVDSBQAH-UHFFFAOYSA-M
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Compound 125
Molecular Weight:176.1521
Molecular Formula:C8H6N3O2
InChIKey:HWYHZTIRURJOHG-UHFFFAOYSA-N
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Compound 126
Molecular Weight:207.1441
Molecular Formula:C8H7N3O4
InChIKey:OHQDRCZEZYHACF-UHFFFAOYSA-N
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Compound 128
Molecular Weight:181.1455
Molecular Formula:C8H7NO4
InChIKey:WGLQHUKCXBXUDV-UHFFFAOYSA-N
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Compound 129
Molecular Weight:164.158
Molecular Formula:C9H8O3
InChIKey:NGSWKAQJJWESNS-ZZXKWVIFSA-N
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Compound 130
Molecular Weight:386.4866
Molecular Formula:C28H22N2
InChIKey:FULGIHLPACFUCU-UHFFFAOYSA-N
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Compound 131
Molecular Weight:984.786
Molecular Formula:C44H28FeN4O12S4
InChIKey:YGLLRGXZXDACMC-DAJBKUBHSA-J
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Compound 132
Molecular Weight:169.1778
Molecular Formula:C8H11NO3
InChIKey:SFLSHLFXELFNJZ-QMMMGPOBSA-N
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Compound 133
Molecular Weight:155.1513
Molecular Formula:C7H9NO3
InChIKey:GMORFPHURZEPSE-SSDOTTSWSA-N
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Compound 134
Molecular Weight:167.205
Molecular Formula:C9H13NO2
InChIKey:NGKZFDYBISXGGS-UHFFFAOYSA-N
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Compound 135
Molecular Weight:211.2576
Molecular Formula:C11H17NO3
InChIKey:JWZZKOKVBUJMES-NSHDSACASA-N
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Compound 136
Molecular Weight:139.1519
Molecular Formula:C7H9NO2
InChIKey:YFMPSMITLLBENU-UHFFFAOYSA-N
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Compound 137
Molecular Weight:114.169
Molecular Formula:C4H6N2S
InChIKey:PMRYVIKBURPHAH-UHFFFAOYSA-N
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Compound 138
Molecular Weight:186.231
Molecular Formula:C7H10N2O2S
InChIKey:CFOYWRHIYXMDOT-UHFFFAOYSA-N
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Compound 139
Molecular Weight:190.1588
Molecular Formula:C8H6N4O2
InChIKey:ONRNRVLJHFFBJG-UHFFFAOYSA-N
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Compound 141
Molecular Weight:252.3093
Molecular Formula:C20H12
InChIKey:CSHWQDPOILHKBI-UHFFFAOYSA-N
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Compound 142
Molecular Weight:217.2652
Molecular Formula:C16H11N
InChIKey:VHGJAFIHUSTRGB-UHFFFAOYSA-N
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Compound 143
Molecular Weight:229.1553
Molecular Formula:C10H6F3NO2
InChIKey:JBNOVHJXQSHGRL-UHFFFAOYSA-N
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Compound 144
Molecular Weight:323.134
Molecular Formula:C13H8Cl2N4O2
InChIKey:MEHLOMBYSARVPM-UHFFFAOYSA-N
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Compound 145
Molecular Weight:126.11
Molecular Formula:C6H6O3
InChIKey:WQGWDDDVZFFDIG-UHFFFAOYSA-N
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Compound 146
Molecular Weight:220.1782
Molecular Formula:C11H8O5
InChIKey:WDGFFVCWBZVLCE-UHFFFAOYSA-N
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Compound 147a
Molecular Weight:193.992
Molecular Formula:C9H11BO4
InChIKey:VPSARXNVXCRDIV-UHFFFAOYSA-N
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Compound 147b
Molecular Weight:198.026
Molecular Formula:C12H11BO2
InChIKey:XPEIJWZLPWNNOK-UHFFFAOYSA-N
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Compound 148
Molecular Weight:151.1626
Molecular Formula:C8H9NO2
InChIKey:RZVAJINKPMORJF-UHFFFAOYSA-N
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Compound 149
Molecular Weight:138.1207
Molecular Formula:C7H6O3
InChIKey:YGSDEFSMJLZEOE-UHFFFAOYSA-N
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Compound 150
Molecular Weight:199.272
Molecular Formula:C12H9NS
InChIKey:WJFKNYWRSNBZNX-UHFFFAOYSA-N
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Compound 151
Molecular Weight:192.1235
Molecular Formula:C6H8O7
InChIKey:KRKNYBCHXYNGOX-UHFFFAOYSA-N
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Compound 152
Molecular Weight:147.0833
Molecular Formula:C5H6O5
InChIKey:KPGXRSRHYNQIFN-UHFFFAOYSA-M
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Compound 153
Molecular Weight:429.6352
Molecular Formula:C27H43NO3
InChIKey:USLZJBWCHRRIAQ-UHFFFAOYSA-M
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Compound 154
Molecular Weight:315.208
Molecular Formula:C6H6Na2O8S2
InChIKey:ISWQCIVKKSOKNN-UHFFFAOYSA-M
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Compound 155
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 156
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 157
Molecular Weight:743.405
Molecular Formula:C21H28N7O17P3
InChIKey:XJLXINKUBYWONI-NNYOXOHSSA-N
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Compound 158a
Molecular Weight:386.4242
Molecular Formula:C28H19P
InChIKey:DSYGKYCYNVHCNQ-UHFFFAOYSA-N
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Compound 158b
Molecular Weight:402.4236
Molecular Formula:C28H19OP
InChIKey:DDDLSFKMACAIBQ-UHFFFAOYSA-N
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Compound 159
Molecular Weight:276.4137
Molecular Formula:C18H28O2
InChIKey:IJTNSXPMYKJZPR-ZSCYQOFPSA-N
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Compound 160
Molecular Weight:151.1261
Molecular Formula:C5H5N5O
InChIKey:UYTPUPDQBNUYGX-UHFFFAOYSA-N
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Compound 161
Molecular Weight:171.26
Molecular Formula:C9H19N2O
InChIKey:RDUJJOXVBWKTHI-UHFFFAOYSA-N
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Compound 162
Molecular Weight:398.5998
Molecular Formula:C23H44NO4
InChIKey:JYVAHXMJWCAODA-UHFFFAOYSA-N
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Compound 163
Molecular Weight:177.2429
Molecular Formula:C11H15NO
InChIKey:IYSYLWYGCWTJSG-FMIVXFBMSA-N
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Compound 164
Molecular Weight:344.965
Molecular Formula:C6H3Br2NO4S
InChIKey:NTFXNXQDQBCQSU-UHFFFAOYSA-N
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Compound 165
Molecular Weight:400.6371
Molecular Formula:C27H44O2
InChIKey:YIKKMWSQVKJCOP-UHFFFAOYSA-N
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Compound 167
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 168
Molecular Weight:144.152
Molecular Formula:C4H4N2O2S
InChIKey:RVBUGGBMJDPOST-UHFFFAOYSA-N
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Compound 169
Molecular Weight:324.336
Molecular Formula:C11H8N4O4S2
InChIKey:FFXNQVGZJTZXRJ-OWOJBTEDSA-N
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Compound 170
Molecular Weight:380.442
Molecular Formula:C15H16N4O4S2
InChIKey:XTGCIAWKAKMXHM-VDRJLMEUSA-N
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Compound 171
Molecular Weight:248.3672
Molecular Formula:C14H24N4
InChIKey:WYGWHHGCAGTUCH-UHFFFAOYSA-N
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Compound 172
Molecular Weight:416.6795
Molecular Formula:C28H48O2
InChIKey:QUEDXNHFTDJVIY-UHFFFAOYSA-N
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Compound 173
Molecular Weight:402.6529
Molecular Formula:C27H46O2
InChIKey:GZIFEOYASATJEH-VHFRWLAGSA-N
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Compound 174
Molecular Weight:207.2704
Molecular Formula:C15H13N
InChIKey:SFWZZSXCWQTORH-UHFFFAOYSA-N
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Compound 175
Molecular Weight:198.1362
Molecular Formula:C6H6N4O4
InChIKey:Not Available
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Compound 176
Molecular Weight:202.2093
Molecular Formula:C11H10N2O2
InChIKey:FDNAQCWUERCJBK-UHFFFAOYSA-N
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Compound 177
Molecular Weight:443.493
Molecular Formula:C14H12Cl4N4Zn
InChIKey:OGQAXGNCWPITNT-UHFFFAOYSA-J
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Compound 178
Molecular Weight:213.1048
Molecular Formula:C7H4F5NO
InChIKey:UOISMTPJFYEVBW-UHFFFAOYSA-N
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Compound 179
Molecular Weight:306.3602
Molecular Formula:C15H22N4O3
InChIKey:YQDHCCVUYCIGSW-UHFFFAOYSA-N
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Compound 180
Molecular Weight:342.3923
Molecular Formula:C18H22N4O3
InChIKey:ITORPXCOYMJDJE-UHFFFAOYSA-N
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Compound 335
Molecular Weight:280.4455
Molecular Formula:C18H32O2
InChIKey:OYHQOLUKZRVURQ-HZJYTTRNSA-N
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Compound 181
Molecular Weight:116.1583
Molecular Formula:C6H12O2
InChIKey:WMHZIJDZZACGLY-UHFFFAOYSA-N
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Compound 325
Molecular Weight:358.2819
Molecular Formula:C18H15O6P
InChIKey:BVCCTQHXJQXLKM-UHFFFAOYSA-N
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Compound 191
Molecular Weight:386.6535
Molecular Formula:C27H46O
InChIKey:HVYWMOMLDIMFJA-UHFFFAOYSA-N
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Compound 192
Molecular Weight:418.6523
Molecular Formula:C27H46O3
InChIKey:CUIXDAUTEMBARD-WTBGWTIISA-N
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Compound 193a
Molecular Weight:418.6523
Molecular Formula:C27H46O3
InChIKey:KJIGLXGIVLBXCF-XTGSPYDDSA-N
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Compound 193b
Molecular Weight:418.6523
Molecular Formula:C27H46O3
InChIKey:KJIGLXGIVLBXCF-GMQLQOEJSA-N
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Compound 197
Molecular Weight:124.996
Molecular Formula:C4H6Cl2
InChIKey:YRCBNVMRRBIDNF-ONEGZZNKSA-N
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Compound 198
Molecular Weight:130.958
Molecular Formula:C2H4Cl2O2
InChIKey:YUVMNUKOYYKKNS-UHFFFAOYSA-N
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Compound 199a
Molecular Weight:188.994
Molecular Formula:C4H6Cl2O4
InChIKey:GGRNOSKMVFHOOY-ZXZARUISSA-N
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Compound 199b
Molecular Weight:188.994
Molecular Formula:C4H6Cl2O4
InChIKey:GGRNOSKMVFHOOY-JPYJGEKTSA-N
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Compound 200
Molecular Weight:172.995
Molecular Formula:C4H6Cl2O3
InChIKey:RAEFKVINKCOEQR-UHFFFAOYSA-N
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Compound 206
Molecular Weight:296.531
Molecular Formula:C20H40O
InChIKey:BOTWFXYSPFMFNR-HMMYKYKNSA-N
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Compound 207
Molecular Weight:328.5298
Molecular Formula:C20H40O3
InChIKey:GERGFNMMBYSROI-UHFFFAOYSA-N
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Compound 208
Molecular Weight:328.5298
Molecular Formula:C20H40O3
InChIKey:CKDOSLYBAMLGPC-XMHGGMMESA-N
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Compound 209
Molecular Weight:328.5298
Molecular Formula:C20H40O3
InChIKey:IPLLTVBTPAIQKM-UHFFFAOYSA-N
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Compound 191e
Molecular Weight:428.6902
Molecular Formula:C29H48O2
InChIKey:XUGISPSHIFXEHZ-IPGPEPDKSA-N
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Compound 218
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 219
Molecular Weight:476.6884
Molecular Formula:C29H48O5
InChIKey:RXPFCFSMJYGUQE-KAOXRLMZSA-N
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Compound 220
Molecular Weight:460.689
Molecular Formula:C29H48O4
InChIKey:LZXBZYADXMLXDF-YZKNUTBTSA-N
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Compound 221
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 182
Molecular Weight:180.2053
Molecular Formula:C12H8N2
InChIKey:DGEZNRSVGBDHLK-UHFFFAOYSA-N
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Compound 183
Molecular Weight:274.2274
Molecular Formula:C10H14N2O7
InChIKey:STXZSCOOCRDNCN-XLPZGREQSA-N
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Compound 184
Molecular Weight:292.2426
Molecular Formula:C10H16N2O8
InChIKey:YVNWOSGYJYVWII-SKAWGCAZSA-N
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Compound 185
Molecular Weight:292.2426
Molecular Formula:C10H16N2O8
InChIKey:QBYTYNBNJCXIBX-SKAWGCAZSA-N
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Compound 186
Molecular Weight:293.3199
Molecular Formula:C17H15N3O2
InChIKey:OBIVSSBPXGHUBC-UHFFFAOYSA-N
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Compound 187
Molecular Weight:947.895
Molecular Formula:C40H36CoN4O12S4
InChIKey:RXDXZNHCUPFDEX-VDUIZXOZSA-J
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Compound 189
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 188d
Molecular Weight:76.0944
Molecular Formula:C3H8O2
InChIKey:TURGQPDWYFJEDY-UHFFFAOYSA-N
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Compound 188a
Molecular Weight:48.0413
Molecular Formula:CH4O2
InChIKey:MEUKEBNAABNAEX-UHFFFAOYSA-N
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Compound 189c
Molecular Weight:92.0938
Molecular Formula:C3H8O3
InChIKey:RIRTXIQGPQFACK-UHFFFAOYSA-N
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Compound 188c
Molecular Weight:76.0944
Molecular Formula:C3H8O2
InChIKey:SGJUFIMCHSLMRJ-UHFFFAOYSA-N
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Compound 189d
Molecular Weight:106.1204
Molecular Formula:C4H10O3
InChIKey:ZQPOFOTZQJEVQT-UHFFFAOYSA-N
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Compound 189e
Molecular Weight:106.1204
Molecular Formula:C4H10O3
InChIKey:GOICJNIKANLXRP-UHFFFAOYSA-N
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Compound 191d
Molecular Weight:673.1051
Molecular Formula:C47H76O2
InChIKey:IMXSFYNMSOULQS-FORXSXPXSA-N
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Compound 191a
Molecular Weight:651.0996
Molecular Formula:C45H78O2
InChIKey:QWLFXDUIRZELNA-YPKPFQOOSA-N
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Compound 191b
Molecular Weight:649.0837
Molecular Formula:C45H76O2
InChIKey:ACDSTTTZOAJLKN-XVTLYKPTSA-N
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Compound 191c
Molecular Weight:647.0679
Molecular Formula:C45H74O2
InChIKey:SEOPBTCCKMMAKT-JPFHKJGASA-N
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Compound 194
Molecular Weight:536.803
Molecular Formula:C22H32N8S4
InChIKey:MCZIMCRPUHYMHC-UHFFFAOYSA-N
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Compound 195
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 196a
Molecular Weight:257.2213
Molecular Formula:C8H20NO6P
InChIKey:SUHOQUVVVLNYQR-MRVPVSSYSA-N
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Compound 196b
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 196c
Molecular Weight:215.1415
Molecular Formula:C5H14NO6P
InChIKey:JZNWSCPGTDBMEW-RXMQYKEDSA-N
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