Request from: blabla@test.at Compound: Example_1 Project: Workshop

Database	Number of Entries	Owner of Database
Please cite the CSEARCH-Robot-Referee as: N. Haider, W. Robien; http://nmrpredict.orc.univie.ac.at/c13robot/robot.php
CSEARCH	74,997 (A)	CSEARCH-Data / Wolfgang Robien
CSEARCH	56,549 (B)	CSEARCH-Data / Wolfgang Robien
CSEARCH	28,196 (C)	CSEARCH-Data / Wolfgang Robien
CSEARCH	33,587 (D)	CSEARCH-Data / Wolfgang Robien
CSEARCH	39,132 (E)	CSEARCH-Data / Wolfgang Robien + NMR-Database University of Mainz
CSEARCH	26,196 (F)	CSEARCH-Data / Wolfgang Robien
CSEARCH	50,594 (I)	Upcoming CSEARCH-Data / Wolfgang Robien
CSEARCH	31,307 (L)	NMRShiftDB-Data / Version February 2012
Permanent URL	This page can be verified by a digital signature
CSEARCH-Version: 9.4.0 Robot-Referee: 2017:06:10

Request from: blabla@test.at Compound: Example_1 Project: Workshop

	Your assignment	Difference to predicted values

Identical structure: Entry # 1 of 1	J.AM.CHEM.SOC.,118,10971(1996)
Solvent: CDCL3 6 carbons given 6 lines given 6 assigned lines 0 exchangeable shifts C6H8O3
ZQOISUAETPFTAA Search Structure on WEB Availability of spectral data

Overall Impression

Major revision necessary; high probability for errors Compound: Example_1 Project: Workshop

The CSEARCH Robot Referee recommends: Major revision necessary; high probability for errors

NN-Prediction and HOSE-Code prediction differs significantly at 2 carbon positions

Deviation between experimental and predicted data is 7.6ppm

1 Experimental shift value differs more than 10ppm from prediction

1 Experimental shift value differs more than 25ppm from prediction

1 Carbon position ( out of 6 ) has a severe assignment problem

Spectrum prediction - minor inconsistencies found

1 Identical structure can be found in the CSEARCH-database

Experimental values

Predicted values

Matching map

Deviation per position ( Average is 7.6ppm )

Contribution of methods HOSE NET NET&HOSE NONE

Overall Similarity Index is 9.3 0.0 is a "perfect match", up to approximately 3.0 it is "reasonable", above 5.0 it is more or less "unbelievable"

	Your assignment	Difference to predicted values

Start systematic searching for alternate structures

252 Alternative Structure Proposals have been generated

Structure Proposal # 1 UHZDTSAFZSJJTG Deviation = 3.43ppm C6H8O3 Search WEB for skeleton Recall this Compound from PUBCHEM
Structure Proposal # 2 LJTQRERKZTWVRQ Deviation = 3.60ppm C6H9NO3 Search WEB for skeleton
Structure Proposal # 3 MOOOKKSTBGVBGM Deviation = 4.30ppm C6H8O4 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 4 HUUCYSKXDBJPPC Deviation = 4.46ppm C6H8O3 Search WEB for skeleton Recall this Compound from PUBCHEM
Structure Proposal # 5 QDGVLKGTVHRVSQ Deviation = 5.03ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 6 QRJCGGGCGWSLJL Deviation = 5.09ppm C6H8O3S Search WEB for skeleton
Structure Proposal # 7 ZZYVAKBBBCNKCV Deviation = 5.11ppm C6H9NO3 Search WEB for skeleton
Structure Proposal # 8 PTADOSFRJHTFAY Deviation = 5.25ppm C6H8O3 Search WEB for skeleton
Structure Proposal # 9 TZRJVRKQLVBHNY Deviation = 5.26ppm C6H8O3 Search WEB for skeleton
Structure Proposal # 10 NGOUHMFAZSBCKV Deviation = 5.31ppm C6H8O3 Search WEB for skeleton
Structure Proposal # 11 OJNDMHAMAKAFIU Deviation = 5.49ppm C6H7ClO3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 12 MTOUKBRZAUSRKK Deviation = 5.51ppm C6H9NO3 Search WEB for skeleton
Structure Proposal # 13 KIVCXIBXFGIDPI Deviation = 5.79ppm C6H8O4 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 14 QQDSJXFEPOBQDM Deviation = 5.93ppm C6H9NO3 Search WEB for skeleton
Structure Proposal # 15 WOCPKYZMUITZHR Deviation = 5.98ppm C6H8O3 Search WEB for skeleton
Structure Proposal # 16 UVJQQJLLUPZDHL Deviation = 6.15ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 17 YQOVXLPIHPVQSG Deviation = 6.29ppm C6H7FO3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 18 JICIGRMNFVKRRX Deviation = 6.32ppm C6H8O3S Search WEB for skeleton
Structure Proposal # 19 VJEGTESWTYMYJT Deviation = 6.39ppm C6H8O4 Search WEB for skeleton
Structure Proposal # 20 CRPLUMMTFHTQKM Deviation = 6.53ppm C6H7ClO3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 21 AYMIIEQMNOWWRQ Deviation = 6.62ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 22 SGNXMIAOFSJJBL Deviation = 6.73ppm C6H8O3S Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 23 YGTGBDXDMNCDRQ Deviation = 6.88ppm C6H9NO3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 24 IZHIOMNRDBRULX Deviation = 6.95ppm C6H7FO3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 25 XMSUIGUZKUDPJX Deviation = 6.96ppm C6H7BrO3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 26 BOKINGNYHBNGRW Deviation = 7.04ppm C6H7IO3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 27 HWERAEAHZJWTBU Deviation = 7.07ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 28 YHRHESXLPJWDGP Deviation = 7.35ppm C6H8O3S Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 29 ZTJHHXCWZMSUGA Deviation = 7.35ppm C6H8O3 Search WEB for skeleton
Structure Proposal # 30 IHKMLXMKFWBUIS Deviation = 7.41ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 31 HXTZDSMJNYJZLX Deviation = 7.54ppm C6H9NO3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 32 HYJMNUPXBXGGEU Deviation = 7.61ppm C6H8O3S Search WEB for skeleton
Structure Proposal # 33 MZDUOUDUJGJMFH Deviation = 7.80ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 34 TXAMGKKWDAXILP Deviation = 7.90ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 35 LXWCLCGCPLGLOX Deviation = 7.96ppm C6H8O3 Search WEB for skeleton
Structure Proposal # 36 FWBUWKNGXQECMZ Deviation = 7.99ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal Recall this Compound from PUBCHEM
Structure Proposal # 37 WSSWVBMWLQOPNP Deviation = 8.15ppm C6H8O4 Search WEB for skeleton
Structure Proposal # 38 BGCIYIAPBMKAFV Deviation = 8.17ppm C6H8O3 Search WEB for skeleton Recall this Compound from PUBCHEM
Structure Proposal # 39 CYANHASUKLFAHE Deviation = 8.34ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 40 IAXJXAQEDXKOCH Deviation = 8.42ppm C6H9NO3 Search WEB for skeleton
Structure Proposal # 41 XUORIEJHYIWKOV Deviation = 8.49ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 42 SBMXBFQRJJTDNC Deviation = 8.52ppm C6H8O3 Search WEB for skeleton
Structure Proposal # 43 DWMHGLPVVIYILA Deviation = 8.74ppm C6H8O3 Search WEB for skeleton
Structure Proposal # 44 VOWCWCMHSZKFTA Deviation = 8.83ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal Recall this Compound from PUBCHEM Data in CSEARCH
Structure Proposal # 45 ZAMRINPZIBRTBR Deviation = 8.85ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 46 KKGJCSJYCPJGCV Deviation = 8.97ppm C6H8O4 Search WEB for skeleton
Structure Proposal # 47 JOVTWISOJMHUBB Deviation = 9.02ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 48 GNEIWUZCCOORDK Deviation = 9.08ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 49 NOPBUSMBXGIRCM Deviation = 9.08ppm C6H9NO3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 50 XYXYXURHMMNJAJ Deviation = 9.10ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 51 CMUALNHEESCJBS Deviation = 9.11ppm C6H7BrO3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 52 DOBUGTOZBAYXID Deviation = 9.13ppm C6H8O3 Search WEB for skeleton
Structure Proposal # 53 FGXINQLDUGIXRS Deviation = 9.23ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 54 HWXNNSWWSJRFOY Deviation = 9.33ppm C6H8O3 Search WEB for skeleton
Structure Proposal # 55 SZFLIVMLRWISML Deviation = 9.41ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 56 LHHHZYGIIUYKAI Deviation = 9.42ppm C6H8O3 Search WEB for skeleton
Structure Proposal # 57 DYBHTVGCBTYHBL Deviation = 9.44ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 58 IAJVMTQOPGBKGS Deviation = 9.51ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 59 OAYNHAJQVINLCL Deviation = 9.52ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 60 JUTGSNKMBQJESR Deviation = 9.55ppm C6H8O3S Search WEB for skeleton
Structure Proposal # 61 BGIWPBZGGTWFFR Deviation = 9.63ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 62 HJNXWEZHCDNYMB Deviation = 9.81ppm C6H8O3S Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 63 OOCIULKKDOUSEV Deviation = 9.85ppm C6H8O3 Search WEB for skeleton
Structure Proposal # 64 QRGNTUMGWWETES Deviation = 9.91ppm C6H8O4 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 65 UFTVBPKZNKDWPN Deviation = 10.12ppm C6H7FO3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 66 SGAHJUMLLBYXTK Deviation = 10.13ppm C6H8O2S Search WEB for skeleton
Structure Proposal # 67 OWCIJHQXZKOCRW Deviation = 10.14ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 68 NULPSNOASXMCGL Deviation = 10.18ppm C6H7BrOS Search WEB for skeleton
Structure Proposal # 69 RBAVIQWNSVYBAY Deviation = 10.19ppm C6H8O3S Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 70 IQFVDONBBUTRHR Deviation = 10.21ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 71 MYPGBPFYEIVZHG Deviation = 10.26ppm C6H7ClO3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 72 AIISHYRHKMAAGH Deviation = 10.26ppm C6H8O3 Search WEB for skeleton Recall this Compound from PUBCHEM
Structure Proposal # 73 FKDGKBMMSKFQBT Deviation = 10.30ppm C6H9NO2 Search WEB for skeleton
Structure Proposal # 74 RZZUYWXEJCXNEX Deviation = 10.36ppm C6H7ClOS Search WEB for skeleton
Structure Proposal # 75 NGTFIFZXVMZTIH Deviation = 10.37ppm C6H8O4 Search WEB for skeleton
Structure Proposal # 76 JCXSKBAHPCECKL Deviation = 10.38ppm C6H7FO3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 77 FSOCJIQHGAOHFF Deviation = 10.39ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 78 DJLARFVKRJBMLV Deviation = 10.40ppm C6H10N2O Search WEB for skeleton
Structure Proposal # 79 UFWIOCGTIOHMBF Deviation = 10.45ppm C6H9NOS Search WEB for skeleton
Structure Proposal # 80 HUZNGUNNQQLMIJ Deviation = 10.53ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 81 IBYOPTFFMPPFCY Deviation = 10.57ppm C6H8ClNO Search WEB for skeleton
Structure Proposal # 82 ZYPDXAOEIRJPGH Deviation = 10.59ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 83 IRZSTULLFJEJAN Deviation = 10.59ppm C6H7BrO3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 84 ZQUFQABGJGWNEF Deviation = 10.60ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 85 MVDRGUMMBOXQIG Deviation = 10.72ppm C6H8O3 Search WEB for skeleton
Structure Proposal # 86 UNBDEAVOQZRXEZ Deviation = 10.79ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 87 ZSBPIOWBOGAPOC Deviation = 10.81ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 88 QOUWRFHBUAOSBW Deviation = 10.83ppm C6H8O3 Search WEB for skeleton
Structure Proposal # 89 JMXSDMDACKASII Deviation = 10.84ppm C6H9NO3 Search WEB for skeleton
Structure Proposal # 90 QRGFMWUXXVTMGM Deviation = 10.89ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 91 GIVYENXCNOLXNW Deviation = 10.91ppm C6H7BrO3 Search WEB for skeleton
Structure Proposal # 92 VIBMMASVLYNITB Deviation = 10.98ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 93 YTQZTHHZXDAQPM Deviation = 11.02ppm C6H8O3 Search WEB for skeleton
Structure Proposal # 94 MXKRWOUFKHGMJG Deviation = 11.04ppm C6H7ClO2 Search WEB for skeleton
Structure Proposal # 95 JOTNUOAUOIQNFZ Deviation = 11.08ppm C6H8O3S Search WEB for skeleton
Structure Proposal # 96 SIMSZQRVCAHHIL Deviation = 11.11ppm C6H8O4 Search WEB for skeleton
Structure Proposal # 97 ROMKMGLCDGHQSG Deviation = 11.13ppm C6H8BrNO Search WEB for skeleton
Structure Proposal # 98 BVTDQPTXKQSEIC Deviation = 11.18ppm C6H8O3 Search WEB for skeleton
Structure Proposal # 99 FHNACTFRJRZDHL Deviation = 11.20ppm C6H7BrO3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 100 CUDPBJLDJMSBPX Deviation = 11.21ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 101 MACDSEZCLVWWQK Deviation = 11.27ppm C6H8O3S Search WEB for skeleton
Structure Proposal # 102 ZQOISUAETPFTAA Deviation = 11.29ppm C6H8O3 Search WEB for skeleton Recall this Compound from PUBCHEM Data in CSEARCH
Structure Proposal # 103 LATQBVMKLDOQJP Deviation = 11.40ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 104 SAIFLFKCOLRUNH Deviation = 11.43ppm C6H7FO3 Search WEB for skeleton
Structure Proposal # 105 LNIQFQKMWMRNKJ Deviation = 11.43ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 106 QYPBKBDGKRRLJZ Deviation = 11.44ppm C6H9NO2 Search WEB for skeleton Recall this Compound from PUBCHEM
Structure Proposal # 107 PYIIYPHWIBUBHD Deviation = 11.44ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 108 NZZPONDXNHCQHN Deviation = 11.45ppm C6H9NO3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 109 XERULAIYZYRXDP Deviation = 11.46ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 110 LGJUXNDJGFDTHQ Deviation = 11.57ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 111 CUFFLXJCSZIZCT Deviation = 11.59ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 112 PAQNNHUXTXYEGA Deviation = 11.66ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 113 WGLSYVQHBFLFNR Deviation = 11.72ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 114 ZNNWDNDQMMNUDZ Deviation = 11.72ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 115 NBVKGCYGUTXHMH Deviation = 11.75ppm C6H8FNO Search WEB for skeleton
Structure Proposal # 116 MDORNZQMKGFEKQ Deviation = 11.77ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 117 BVYMMXXIJKEAFY Deviation = 11.78ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 118 UJOHFDJMNUMHSE Deviation = 11.80ppm C6H8O3 Search WEB for skeleton
Structure Proposal # 119 RZJKKPOGYVVBKM Deviation = 11.83ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 120 SLJRGOVKJDHRFF Deviation = 11.88ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 121 MCBZCNFIWOPJMN Deviation = 11.88ppm C6H8FNO Search WEB for skeleton
Structure Proposal # 122 MOULKUXZRPWMFM Deviation = 11.93ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 123 YGCYZUBYOLNLRA Deviation = 12.06ppm C6H7FO2 Search WEB for skeleton
Structure Proposal # 124 AWLKXCHKZSCSIL Deviation = 12.16ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 125 HEKZRUAUIIQOPU Deviation = 12.17ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 126 KEDPSIHWWBTNSU Deviation = 12.25ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 127 ZZIPOZKDIFVIPE Deviation = 12.25ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 128 RRSNRGDJQPEJOW Deviation = 12.34ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 129 CZSHYKFNCHPHRZ Deviation = 12.39ppm C6H7FOS Search WEB for skeleton
Structure Proposal # 130 NIKIRGVWOPHQNB Deviation = 12.39ppm C6H9NOS Search WEB for skeleton
Structure Proposal # 131 FMESIJIDOZECFC Deviation = 12.43ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 132 JIVPTMOUYXRWKI Deviation = 12.43ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 133 QPVBACBWJLOMFF Deviation = 12.47ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 134 MQPCWDGDTNTULD Deviation = 12.62ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 135 WBAPLZFYDZCVKK Deviation = 12.72ppm C6H7BrO2 Search WEB for skeleton
Structure Proposal # 136 PKYQPRWUYXJWSR Deviation = 12.73ppm C6H7ClO3 Search WEB for skeleton
Structure Proposal # 137 MVLJMHZAXZNTEH Deviation = 12.73ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal Recall this Compound from PUBCHEM
Structure Proposal # 138 PKIFQFVXMHAGOM Deviation = 12.74ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 139 IYXNWAVHUYQCEP Deviation = 12.74ppm C6H8O3 Search WEB for skeleton
Structure Proposal # 140 WWCICPPLLGEMIK Deviation = 12.83ppm C6H7IO2 Search WEB for skeleton
Structure Proposal # 141 LLCVKBAEJFFBTC Deviation = 12.84ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 142 JJATUFHISNRIHW Deviation = 12.87ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 143 PXNRZJNTMDCHFR Deviation = 12.90ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal Recall this Compound from PUBCHEM Data in CSEARCH
Structure Proposal # 144 LEBSZUYHICQCJD Deviation = 12.92ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 145 KYBCMDOXJQELCG Deviation = 12.93ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 146 HQFMMBODZLHSOB Deviation = 12.96ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal Recall this Compound from PUBCHEM
Structure Proposal # 147 SXSVVZSQOOFMGU Deviation = 12.98ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 148 KOCIIWXWVHZCHS Deviation = 13.03ppm C6H8O3 Search WEB for skeleton
Structure Proposal # 149 DBDKIWGNRRQOHG Deviation = 13.09ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 150 AGJFEEUMYKKCCZ Deviation = 13.14ppm C6H7ClO3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 151 MROBMAHAJGJTEO Deviation = 13.19ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 152 QCFCETBHHFBAKD Deviation = 13.20ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 153 JQROZEYOACTAMZ Deviation = 13.23ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 154 DSUMIOQJVNJRSE Deviation = 13.24ppm C6H10N2O Search WEB for skeleton
Structure Proposal # 155 GTXQJGJZWOOFDU Deviation = 13.34ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 156 CMDXJFUSTXQDSC Deviation = 13.39ppm C6H7IO3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 157 WZWFBBLSYKGIBF Deviation = 13.43ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 158 BFORTFFFEOGXMB Deviation = 13.43ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 159 ORJZRKGMZZSPMB Deviation = 13.52ppm C6H8O4 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 160 WLGGZGGBRQOJQR Deviation = 13.56ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 161 ZJJJUECRONORDW Deviation = 13.56ppm C6H7IOS Search WEB for skeleton
Structure Proposal # 162 IIWLOBRMMQIUCF Deviation = 13.57ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 163 NWLQJMJZCKJPJW Deviation = 13.70ppm C6H8O3 Search WEB for skeleton
Structure Proposal # 164 VDVMHGYBCLWGLM Deviation = 13.76ppm C6H8O3 Search WEB for skeleton
Structure Proposal # 165 JNAFOKYWSSBFDG Deviation = 13.81ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 166 QNMLTWRVKMLKRV Deviation = 13.82ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 167 FTVSSTPYOYROHD Deviation = 13.87ppm C6H8O3 Search WEB for skeleton
Structure Proposal # 168 OAOLCYXKFJCRND Deviation = 13.89ppm C6H8O2 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 169 MCJXOMUTACHEJE Deviation = 13.95ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 170 TZMBUDRPYMJPBP Deviation = 13.96ppm C6H8O3 Search WEB for skeleton
Structure Proposal # 171 KVQAWJAEPCBGHL Deviation = 14.09ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 172 VQBNHEGTWIBZGS Deviation = 14.15ppm C6H8O3 Search WEB for skeleton Recall this Compound from PUBCHEM
Structure Proposal # 173 RWRXHRYOVRFPBL Deviation = 14.17ppm C6H8O3 Search WEB for skeleton
Structure Proposal # 174 XCKGZUKBVCSCRH Deviation = 14.20ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 175 NPSRAQWVLBLTES Deviation = 14.23ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 176 VKVXACYPYKSHIY Deviation = 14.31ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal Recall this Compound from PUBCHEM
Structure Proposal # 177 LQJUTUVXIJCUFI Deviation = 14.34ppm C6H7IO3 Search WEB for skeleton
Structure Proposal # 178 LDKCIMRKVHNNFN Deviation = 14.41ppm C6H8O3 Search WEB for skeleton
Structure Proposal # 179 PKWYAMDZHDMDFO Deviation = 14.44ppm C6H8O3 Search WEB for skeleton
Structure Proposal # 180 VMZXHWSIYSEZPA Deviation = 14.68ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 181 MFJBMTGHRVZJSW Deviation = 14.69ppm C6H8O3 Search WEB for skeleton
Structure Proposal # 182 RKIJKMYNIXDNKM Deviation = 14.87ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 183 OBECKJPVJGBKFX Deviation = 14.93ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 184 OKFHEKWFPVSDHN Deviation = 14.96ppm C6H8O3 Search WEB for skeleton
Structure Proposal # 185 BCLFGOVHRPDSPY Deviation = 15.00ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal Recall this Compound from PUBCHEM
Structure Proposal # 186 NCUYZSYSYQWPJE Deviation = 15.04ppm C6H8ClNO Search WEB for skeleton
Structure Proposal # 187 VZAJTCVEDZVBKY Deviation = 15.05ppm C6H8O3 Search WEB for skeleton
Structure Proposal # 188 ODWVBZIOHSSNLF Deviation = 15.19ppm C6H10O2 Search WEB for skeleton Multiplicity different with respect to your proposal Recall this Compound from PUBCHEM
Structure Proposal # 189 HZWHHYDHAYKKCT Deviation = 15.20ppm C6H8O3 Search WEB for skeleton
Structure Proposal # 190 BIJBRWGNTWFJIO Deviation = 15.20ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 191 XGZPGPBLFAKMGH Deviation = 15.34ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 192 YMADRLHWCVJIRB Deviation = 15.35ppm C6H8O3 Search WEB for skeleton
Structure Proposal # 193 XPLOQXWFZSWNDT Deviation = 15.35ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 194 AFYAUVWLPWYHDV Deviation = 15.41ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 195 KZAMRFLEANFDPJ Deviation = 15.48ppm C6H7IOS Search WEB for skeleton
Structure Proposal # 196 MMWFJELWPIEWKN Deviation = 15.50ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 197 OIZTWZKIOZJSOK Deviation = 15.54ppm C6H8BrNO Search WEB for skeleton
Structure Proposal # 198 GBUSMERYEOSJOJ Deviation = 15.58ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 199 CIMWHBVKYJFNSA Deviation = 15.72ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 200 FXZYBELDIQGNGG Deviation = 15.75ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 201 VXJKOVPOEIDNHJ Deviation = 15.79ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 202 SIGMDSOHYVVTTM Deviation = 15.80ppm C6H8O3 Search WEB for skeleton
Structure Proposal # 203 LTUIFUUTRWJROY Deviation = 15.85ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 204 NGMBOJFQBGCVGI Deviation = 15.86ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 205 DIGAHODHIXMYRV Deviation = 15.92ppm C6H8O3 Search WEB for skeleton
Structure Proposal # 206 XNXOOCPUQHGSFL Deviation = 15.97ppm C6H8INO Search WEB for skeleton
Structure Proposal # 207 HSZMIVFYGCKRTF Deviation = 15.97ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 208 QEZRDUMNUNYGEL Deviation = 16.09ppm C6H8O3 Search WEB for skeleton
Structure Proposal # 209 GNTUUUXVXQPOBA Deviation = 16.11ppm C6H8OS2 Search WEB for skeleton
Structure Proposal # 210 OSWMLPWBDRTYGO Deviation = 16.13ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 211 KHIZYDWYBPYCQU Deviation = 16.38ppm C6H8O3 Search WEB for skeleton
Structure Proposal # 212 DQAPUEKZNSUDEB Deviation = 16.39ppm C6H9NOS Search WEB for skeleton
Structure Proposal # 213 JOEXHQMZIGYVLQ Deviation = 16.46ppm C6H7IO3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 214 KXOSCYMESQCBRC Deviation = 16.47ppm C6H8O2S Search WEB for skeleton
Structure Proposal # 215 HLDKVSZTYBGBIQ Deviation = 16.54ppm C6H8O3 Search WEB for skeleton
Structure Proposal # 216 ZDEAPRBXPQUXDI Deviation = 16.64ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 217 WDNHDSNYCNRWHG Deviation = 16.64ppm C6H8O3 Search WEB for skeleton
Structure Proposal # 218 OZRNSJTWYPYWOY Deviation = 16.71ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 219 XJUVXOACYRWXQQ Deviation = 16.84ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 220 CVXPAXCBZMHINI Deviation = 16.86ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 221 OAEAHMUASKRIGS Deviation = 17.03ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 222 HGCLLUUSFUOBKJ Deviation = 17.16ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 223 ADHMLJRASWEALI Deviation = 17.29ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 224 VCULKLYYHMRVEM Deviation = 17.42ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 225 OJXZSLKJCDKEJS Deviation = 17.43ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 226 SUVYMIUUNJLQAY Deviation = 17.44ppm C6H8O3 Search WEB for skeleton
Structure Proposal # 227 JDYIURZTWJIDKQ Deviation = 17.73ppm C6H8O3 Search WEB for skeleton
Structure Proposal # 228 QHMPENJUEWUIJH Deviation = 17.98ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 229 CDGWMHUJCKVVNZ Deviation = 18.09ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 230 XUYDCFHBIPVYJT Deviation = 18.15ppm C6H7IO3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 231 PDLLNQUYLSJREG Deviation = 18.23ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 232 ZSSCDCGEZOUYPH Deviation = 18.41ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 233 VYMQVWBJPZIQCG Deviation = 18.56ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 234 QXECMPVHFBSDMU Deviation = 18.66ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 235 TVFOBHDLZGKMLC Deviation = 18.71ppm C6H8O3 Search WEB for skeleton
Structure Proposal # 236 YBSKXACYRWQPIG Deviation = 18.75ppm C6H8O3 Search WEB for skeleton
Structure Proposal # 237 CDPGQRXKEYSUAK Deviation = 19.05ppm C6H8O3 Search WEB for skeleton
Structure Proposal # 238 CYYQHGLJJFMGTB Deviation = 19.23ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 239 FILHJVGVVJYIIK Deviation = 19.48ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 240 UBWBKDRGDRWGPR Deviation = 19.58ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 241 UBQMWYQDRLMWJJ Deviation = 20.73ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 242 QVRVFAQEGCJZCW Deviation = 21.28ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 243 YYGHAVQWFOTPES Deviation = 21.30ppm C6H7ClOS Search WEB for skeleton
Structure Proposal # 244 JCPPNNRPAWAEGQ Deviation = 21.53ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 245 ZHALDSAFZMWOSV Deviation = 21.97ppm C6H8INO Search WEB for skeleton
Structure Proposal # 246 UADNXTCKSNQCCG Deviation = 23.32ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 247 HYGGTDXBKNKRNO Deviation = 24.08ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 248 GMNSXSXBECJICD Deviation = 24.92ppm C6H8OS2 Search WEB for skeleton
Structure Proposal # 249 GQEGVINCNMCWGM Deviation = 25.65ppm C6H7BrOS Search WEB for skeleton
Structure Proposal # 250 RAFBGLPXIUCRPQ Deviation = 26.93ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 251 WOZQCDDBIOARNL Deviation = 28.43ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 252 YVVVNKNCSHCOBW Deviation = 29.02ppm C6H8O3 Search WEB for skeleton Multiplicity different with respect to your proposal
Structure Proposal # 253 MPRLOBIQNBXLFG Deviation = 30.23ppm C6H7FOS Search WEB for skeleton