smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COC(=O)[C@H](Cl)c1[nH]c2cc(F)ccc2c1C 587632824 RMWVFPHTNYLQOT-SNVBAGLBSA-N 255.676 3.068 50 1 CGGF CCC[C@@]1(CCl)CC(=O)c2cc(C)cc(N)c2O1 587373646 RVMLOLTURWQHJY-AWEZNQCLSA-N 267.756 3.320 50 1 CGGF CSC1=C(C#N)C(=C2C=CC(=O)C=C2)C2=C(CCC2)N1 13126204 IFUIBEPKJRHEDO-UHFFFAOYSA-N 282.368 3.117 50 3 CGGF CCCCC/C=C\C[C@]1(OC(C)=O)C=CC(=O)/C1=C/C=O 102185845 GQEGEZIKMJIZMB-HYNJITEOSA-N 290.359 3.079 50 1 CGGF CO[C@H]([C@H](C)O)[C@H](C)CO[Si](C)(C)C(C)(C)C 2356528242 WEAQMQBKBLUICG-WOPDTQHZSA-N 262.466 3.040 50 1 CGGF CC(C)C1=C2[C@H](O)[C@@](C)(O)CC[C@H]2[C@@](C)(N=C=S)CC1 40391716 KMKVJTMIHMKYBS-OEAJRASXSA-N 295.448 3.116 50 1 CGGF C[C@@H]1CC[C@@H]2[C@@H](C)CO[C@@H]3C[C@]4(C)CC[C@@H]1[C@@]32OO4 43328053 FRRNPFHMNCDZAZ-IZNMMPHHSA-N 266.381 3.327 50 1 CGGF CCC[C@@]12CC[C@H]3[C@H](C)CC[C@@H]4CCO[C@@H](O1)[C@]34OO2 195241341 ZZEYTEJYRRBBLR-OWDFPOFWSA-N 282.380 3.403 50 1 CGGF CC(=O)O[C@@H]1OC=C[C@]12CC1=C[C@H](OO)CC[C@@H]1C2(C)C 2356800297 PXCWZNWKOPOIHV-HOSILWTGSA-N 294.347 3.030 50 1 CGGF C[C@@H]1CC[C@H]2[C@@H](C)CO[C@@H]3C[C@@]4(C)CC[C@@H]1[C@@]23OO4 43100182 FRRNPFHMNCDZAZ-PTPFZMSRSA-N 266.381 3.327 50 1 CGGF Nc1ncnc2[nH]c(SSC3CCCCC3)nc12 95597987 ZCPGTAHMJMRSSM-UHFFFAOYSA-N 281.410 3.008 50 1 CGGF C=CCC[C@]1(CCl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587417990 QWKDGHSMCCZKJJ-MLGOLLRUSA-N 292.762 3.386 50 1 CGGF CC(=N)/C(C#N)=C(/O)CSc1nc2cc(C)ccc2[nH]1 101632340 GIEJOHSDEDUIKL-RUORAUPOSA-N 286.360 3.339 50 1 CGGF Fc1cc(F)c2[nH]c([C@@H](Cl)CCl)nc2c1 587007574 GAVHPCLFKBBJGA-YFKPBYRVSA-N 251.063 3.360 50 1 CGGF Cc1cc2[nH]c(/C=C/CBr)nc2cc1[N+](=O)[O-] 586973369 IUUUSNVWKXTDKM-NSCUHMNNSA-N 296.124 3.188 50 1 CGGF C/C(=N/NC(N)=O)c1ccccc1Oc1ccc(F)cc1 27315020 LJLBWRBEQMQGHX-ZDLGFXPLSA-N 287.294 3.010 50 1 CGGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@H]2CC[C@H](C2)[C@@H]1Cl 587383053 VCSFIMKIXBVIEY-DVFHQRNOSA-N 291.778 3.319 50 1 CGGF FC1(F)Oc2cc3nc([C@H](Cl)CCl)[nH]c3cc2O1 587007597 GPTPZHAKVPMOHS-SCSAIBSYSA-N 295.072 3.403 50 1 CGGF O=C1C[C@@H](CCl)Oc2c1ccc1c2CCCC1 587498904 QMCQYLIKMIKOSO-JTQLQIEISA-N 250.725 3.138 50 1 CGGF C=C[C@]1(C)CC[C@@H]([C@@H](C)C(=O)C=CC(C)(C)OO)O1 2356539676 WKCHNXVWJKIODW-CORIIIEPSA-N 268.353 3.140 50 1 CGGF O=C(CCCl)c1coc2cc([N+](=O)[O-])ccc12 587280445 XDGZQIYJJNEXPU-UHFFFAOYSA-N 253.641 3.153 50 1 CGGF COC(=O)[C@H](Cl)c1nc2cccc3c2c(c1C)CC3 587209421 PBQBEHDNHJCRPZ-CYBMUJFWSA-N 275.735 3.095 50 1 CGGF C=C(C(=O)O)[C@@H]1CC[C@]2(C)CCCC(=C)[C@@]2(OO)C1 2356521666 HOXAMQHCKRIXPD-SNPRPXQTSA-N 266.337 3.402 50 1 CGGF CCOC(=O)c1ccc2nc([C@@H](Cl)CCl)[nH]c2c1 587007008 ALZCJASFWDVJIR-QMMMGPOBSA-N 287.146 3.258 50 1 CGGF O=NN(CCCl)C(=O)N[C@H]1CCSc2ccccc21 6117492 YYNJYTGDJJPAFO-JTQLQIEISA-N 299.783 3.155 50 1 CGGF OCC12CC3C[C@H](C1)C1(OOC4(CCCCC4)O1)[C@H](C3)C2 101993686 BINIRIGZTGEDBI-NECPAEIQSA-N 294.391 3.140 50 1 CGGF CC1(C)CC(=O)C[C@H]2C(=O)O[C@]3(C)CC[C@@]21C[C@H]3Cl 2356457615 VTUJLRHZGOPGRK-RBDSIQFVSA-N 284.783 3.085 50 1 CGGF CC(=O)O[C@@H](C)CC[C@@]12OO[C@@H](C=C1C)CC2(C)C 43938766 KECLSDLNORDPRG-CORIIIEPSA-N 268.353 3.164 50 1 CGGF CO[C@H]1O[C@@H]2C[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 1911575655 ZJFVQOSRZIYCBU-GPPZPITQSA-N 296.407 3.299 50 1 CGGF CCOC(=O)c1ccc2nc([C@H](Cl)CCl)[nH]c2c1 587007005 ALZCJASFWDVJIR-MRVPVSSYSA-N 287.146 3.258 50 1 CGGF CC(=O)OC[C@]1(C)[C@@H]2C=C(C=O)CCC=C(C)CC[C@@H]21 2356545335 RBYAXSDAQKDGTH-BBWFWOEESA-N 276.376 3.447 50 1 CGGF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2C(Cl)Cl 963607024 ISMKRPIRHFZQLS-MADCSZMMSA-N 290.190 3.083 50 1 CGGF CC1=Nc2ccccc2/C1=C/NNC(=O)Nc1ccccc1 104046602 OEZCEOQBXGSLCK-RVDMUPIBSA-N 292.342 3.460 50 3 CGGF N#C/C(=C\c1ccc(N2CCNCC2)cc1)c1ccccc1 84651935 YFEULABCMGCGES-NBVRZTHBSA-N 289.382 3.160 50 1 CGGF CC(C)N(C(=O)N(CCCl)N=O)C1CCCCC1 26466367 GOYVCRSMNJJJDD-UHFFFAOYSA-N 275.780 3.372 50 1 CGGF COC[C@](C)(C(=O)OC)C(Cl)=CC(C)=CCCl 2356797243 NRRPNRDFOIBIBZ-LBPRGKRZSA-N 281.179 3.120 50 1 CGGF C/C(=C/c1nc2ccc(C(=O)NN)cc2[nH]1)C1CCCCC1 587967239 JDKVIPNMVYSMOF-LUAWRHEFSA-N 298.390 3.150 50 1 CGGF COc1cc2nc(/C=C/CBr)[nH]c2cc1F 586972983 DUUDSMIONHVUQK-NSCUHMNNSA-N 285.116 3.119 50 1 CGGF C[N+](CCCl)(CCCl)Cc1sccc1[N+](=O)[O-] 43356674 GOXGZNDIJGUHFY-UHFFFAOYSA-N 298.215 3.081 50 1 CGGF CCCC[C@H]1C(=O)O[C@@H]2OC(C)(C)OO[C@@]23CCCC[C@@H]13 43327986 RBKOVVKPAGZLCR-FAXLKDOZSA-N 298.379 3.319 50 1 CGGF Clc1cnc(Cl)c2[nH]c(CBr)nc12 586970955 IURHCCLIPVXWFQ-UHFFFAOYSA-N 280.940 3.160 50 1 CGGF O=C(N/N=C/c1ccc(O)cc1)Nc1ccccc1Cl 103173358 UXZLKOYZZYGTHJ-CXUHLZMHSA-N 289.722 3.201 50 1 CGGF O=c1c(Cl)nc(Cl)c(CCl)n1-c1ccccc1 42966641 KMHVVDLJGXQWMZ-UHFFFAOYSA-N 289.549 3.278 50 1 CGGF COC(=O)[C@@H](Cl)c1[nH]c2cccc(F)c2c1C 587632028 AYBOHJGAXYFTNK-JTQLQIEISA-N 255.676 3.068 50 1 CGGF COc1cc2c3c(c1)O[C@H](CCCCCl)[C@@H](C2)C3=O 587420288 HPVJPOBFHDGKLV-VXGBXAGGSA-N 280.751 3.220 50 1 CGGF O=C(O)c1cccc2c(CCCl)c(CCl)[nH]c12 587637602 DJHWMYSOWDBOTM-UHFFFAOYSA-N 272.131 3.386 50 1 CGGF CO[C@H]1[C@@H]2C=C(C)CC[C@@H]2C(C)(C)C2=C[C@@H](OO)O[C@H]21 2356626365 VGOYYWQGZPKAAU-QFCKPIOYSA-N 280.364 3.155 50 1 CGGF BrCc1nc2ccc3ncccc3c2[nH]1 586972524 VWQDHAJDJVFZRN-UHFFFAOYSA-N 262.110 3.006 50 1 CGGF ClC[C@H](Cl)c1nc2c(Br)ccnc2[nH]1 587009114 VXCUZVGQBWPZMC-YFKPBYRVSA-N 294.967 3.239 50 1 CGGF Fc1ccc2nc(/C=C\CBr)[nH]c2c1F 586972892 CNCYMLGXKASWQG-UPHRSURJSA-N 273.080 3.249 50 1 CGGF CC(=O)/C=C/C=C/C(=O)/C(C)=C/CC/C(C)=C/C=O 238745630 XSDFSTOUOKURHW-DEKTUFGASA-N 260.333 3.129 50 1 CGGF O=C(Cl)CC(=O)c1coc2ccc(Cl)cc12 587275978 IQRZBDWKNZEELA-UHFFFAOYSA-N 257.072 3.424 50 1 CGGF ClC[C@@H](Cl)c1nc2ccnc(Cl)c2[nH]1 587009078 UVPIBPSSJIGTGB-SCSAIBSYSA-N 250.516 3.130 50 1 CGGF C/C(=N\NC(N)=O)c1ccc2nc(C3CCCCC3)[nH]c2c1 84710243 AOQCCMLIAJCOID-KEBDBYFISA-N 299.378 3.003 50 1 CGGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCl)N1 587682962 FEOLAVWNEZXZKG-KBUNVGBDSA-N 292.579 3.402 50 1 CGGF CCOc1c(CCl)[nH]c2c(C(=O)O)cccc12 587638132 JTAOKYXYIUSUOI-UHFFFAOYSA-N 253.685 3.004 50 1 CGGF C[C@H](Br)c1nc2cncc(Cl)c2[nH]1 587009029 SMOWTIDXGDRFDZ-BYPYZUCNSA-N 260.522 3.067 50 1 CGGF Cc1cc(N)c2c(c1)C(=O)C[C@H](CCCBr)O2 587375432 SFIXUQJIWRDFCG-VIFPVBQESA-N 298.180 3.086 50 1 CGGF CCCCCC[C@H](CCl)n1cnc2c(N)ncnc21 12405466 BHDOIZLKRARPFC-SNVBAGLBSA-N 281.791 3.159 50 1 CGGF CCOC(=O)[C@H](Cl)c1nc2cccc3c2c(c1C)CC3 587209814 YEOQKIGKCXPUSG-CQSZACIVSA-N 289.762 3.485 50 1 CGGF O=C1c2cc(Cl)ccc2OCC[C@H]1Br 103201560 AFMNGGVLBIRJPP-MRVPVSSYSA-N 275.529 3.069 50 1 CGGF CC[C@]1(CCl)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963634674 LHGQZJIOHCNYOS-ZUZCIYMTSA-N 283.799 3.082 50 1 CGGF Cc1c2ccccc2c(/C=N/NC(=O)NO)c2ccccc12 27410238 KWPGVLHMBOESPK-VCHYOVAHSA-N 293.326 3.324 50 1 CGGF C=C(C(=O)OC)[C@@H]1CC[C@]2(C)CCC=C(C=O)[C@@H]2C1 2356452912 HQPGFIHOVDBZME-INWMFGNUSA-N 262.349 3.057 50 1 CGGF NC(=O)N/N=C1\C[C@@H](c2ccccc2)Sc2ccccc21 1857607080 ITTGCIUJJOATTI-VUODPORTSA-N 297.383 3.296 50 1 CGGF CCOc1ccccc1O[C@@H](c1ccccc1)[C@@H](O)C#N 2356752481 STKARNZFYWDLSB-YOEHRIQHSA-N 283.327 3.090 50 1 CGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H](C)Br)O2 587376812 YCVDOFMTTJHZPO-SDBXPKJASA-N 298.180 3.085 50 1 CGGF CCCCC1(CCCC)C[C@@H](CO)[C@@](C)(OC)OO1 1857574262 RBWUSWIMCOKXCD-KBPBESRZSA-N 274.401 3.429 50 1 CGGF NC(=O)Sc1ccc(N(CCCl)CCCl)cc1 169315108 VKMTXHMNPCGNKY-UHFFFAOYSA-N 293.219 3.141 50 1 CGGF CC(C)(C)c1ccc(O)c(/C=N/NC(=O)c2ccco2)c1 28565119 APGPMGCLSCVQAD-LICLKQGHSA-N 286.331 3.047 50 1 CGGF Cc1cnc2[nH]c([C@H](Br)C(C)(C)F)nc2c1 587086681 GKMWQYXJZNROTQ-QMMMGPOBSA-N 286.148 3.450 50 1 CGGF C[C@H](Br)c1nc2c(Cl)ccnc2[nH]1 587008185 JFPGVZNGMHEISZ-BYPYZUCNSA-N 260.522 3.067 50 1 CGGF CCOc1ccccc1O[C@H](c1ccccc1)[C@@H](O)C#N 2356752480 STKARNZFYWDLSB-WMLDXEAASA-N 283.327 3.090 50 1 CGGF COc1ccccc1COc1ccccc1/C=C/C=O 29487911 VFHUPDAQPKAAMC-RMKNXTFCSA-N 268.312 3.486 50 1 CGGF CC(C)(F)[C@@H](Br)c1nc2cccnc2[nH]1 587086512 BTYXZXHVLFURPE-ZETCQYMHSA-N 272.121 3.142 50 1 CGGF CC(C)O[C@@H]1Sc2ccccc2[C@H](O)[C@@H]1Cl 169303272 AAGPWJDBHBNNOU-SDDRHHMPSA-N 258.770 3.184 50 1 CGGF C[C@@H]1CCC[C@@H]2C[C@@]3(O)OOC(C)(C)C3=C[C@@]12C 2356401947 UUSCHOCDYWYUOQ-HKCMKHECSA-N 252.354 3.188 50 1 CGGF C/C=C1/C[C@](CC)(CCCC)OO[C@H]1CC(=O)O 101620597 BJPWYJPXKWNMRI-DRHNYNEPSA-N 256.342 3.467 50 1 CGGF Cc1cc([C@H](Br)CN(C)C)ccc1F 169345640 FGOYARJHPRPLRK-SNVBAGLBSA-N 260.150 3.132 50 1 CGGF COc1ccccc1NC(=O)C(C#N)=C(SC)SC 1651004 IGVHJMKSIYUYAS-UHFFFAOYSA-N 294.401 3.095 50 1 CGGF ClC[C@@H](Cl)c1nc2ccnc(Br)c2[nH]1 587008429 ORSUJBRAGBEDFP-SCSAIBSYSA-N 294.967 3.239 50 1 CGGF C[C@H](Br)C=C(Br)Br 2356804040 XQUGRZJCGOAWKV-VKHMYHEASA-N 292.796 3.401 50 1 CGGF CC(C)c1ccc(N2C[C@@H](CCl)OC2=O)cc1 29407476 WGWILOYMSRGNMG-GFCCVEGCSA-N 253.729 3.374 50 1 CGGF CCOc1c(SSC)cnn(-c2ccccc2)c1=O 45392846 IBGAWCNCTMFMFT-UHFFFAOYSA-N 294.401 3.001 50 1 CGGF Fc1cc2[nH]c([C@@H](Cl)CCl)nc2cc1-n1cccn1 587008907 RJEOBQIOZHFBTJ-ZETCQYMHSA-N 299.136 3.406 50 1 CGGF COc1cc2c3c(c1)O[C@@](CCl)(CC(C)C)[C@@H](C2)C3=O 587419181 XCMAKYGVSCWPCL-BLLLJJGKSA-N 294.778 3.466 50 1 CGGF COc1cc2nc(/C=C\CBr)[nH]c2cc1C 586974163 RVMMTQJIFWHKBR-ARJAWSKDSA-N 281.153 3.288 50 1 CGGF C=CCN(C1=CCCCC1)[P@@](=O)([N@]1C[C@@H]1C)[N@]1C[C@H]1C 1857743160 CDXFMVBCUDQQAP-MLKNSKMVSA-N 295.367 3.449 50 1 CGGF C[C@@]1(O)CC[C@@H]2C[C@@H]1OO[C@@]2(C)CSc1ccccc1 103006574 OIGMNEOVBPJXIP-BVUBDWEXSA-N 294.416 3.419 50 1 CGGF CC1(C)OO[C@]2(CI)CCC[C@@H]1C2 100920423 VDSFLTPPDLYDCA-PSASIEDQSA-N 296.148 3.091 50 1 CGGF CO[C@@H]1O[C@]2(c3ccco3)CC[C@H]3CCCC[C@@]31OO2 38153515 WDUPJZRUTLTHHF-NMFUWQPSSA-N 280.320 3.106 50 1 CGGF CC1(C)C=C2[C@H](Cl)CO[C@H]2C[C@H]1Br 139606711 IZRFVDARYRVGND-HRDYMLBCSA-N 265.578 3.112 50 1 CGGF CC1=CC(CBr)=C(O)[C](C(C)(C)C)N1 2356853980 VANMMHSEFFCXKR-UHFFFAOYSA-N 259.167 3.278 50 1 CGGF CC1(C)C[N@@]1P(=O)(Nc1ccccc1)[N@]1CC1(C)C 1857564388 ASGZNDMZHUIARK-IAGOWNOFSA-N 279.324 3.395 50 1 CGGF N#CC1=C(/N=C/c2ccccc2O)S[C@H]2CCC[C@H]12 73198236 KWJJMTHWANHFTJ-NBAUWIOGSA-N 270.357 3.462 50 1 CGGF COC(=O)/C(=C/c1ccc(Cl)cc1)CSC#N 95559249 CQKPEKPLILUKCK-UXBLZVDNSA-N 267.737 3.111 50 1 CGGF COc1cncc2[nH]c(/C(C#N)=C/c3ccc(C)cc3)nc12 587187346 FERVRVMWVNXPBB-NTUHNPAUSA-N 290.326 3.339 50 1 CGGF N#Cc1ccc2c(C(=O)CCBr)coc2c1 587279455 VBULFARIWUORBX-UHFFFAOYSA-N 278.105 3.272 50 1 CGGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCl)N1 587682975 FEOLAVWNEZXZKG-UPONEAKYSA-N 292.579 3.402 50 1 CGGF CCCC[C@]1(C)C[C@H](CO)[C@](CCCC)(OC)OO1 103287393 KQXIDXGZOMPNNZ-RBSFLKMASA-N 274.401 3.429 50 1 CGGF C[C@H](Br)c1nc2c(F)cnc(Cl)c2[nH]1 587008742 NWKOFQWHDLRIDN-VKHMYHEASA-N 278.512 3.206 50 1 CGGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC[C@H]1Cl)O2 587380357 DKQVQGIQKHBQRU-TZMCWYRMSA-N 265.740 3.073 50 1 CGGF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1CCBr 587643688 INYKLVDIIYKZIB-UHFFFAOYSA-N 283.125 3.322 50 1 CGGF CC(=O)O[C@H]1C[C@@H](C)C(C=O)=C2[C@@H](C)CC(C)(C)[C@@H]21 14492833 HAEYAYBKSHUKRO-MHOHDPQLSA-N 264.365 3.136 50 1 CGGF C[C@]1(CSc2ccccc2)OO[C@H]2C[C@H]1CC[C@@]2(C)O 299815696 OIGMNEOVBPJXIP-SLBVQIDZSA-N 294.416 3.419 50 1 CGGF CO[C@@H]1O[C@]2(c3ccco3)CC[C@H]3CCCC[C@]31OO2 101457089 WDUPJZRUTLTHHF-REBRKWNGSA-N 280.320 3.106 50 1 CGGF C=C1C[C@@](CBr)(c2cccc(C)c2)OC1=O 1911586576 KWQZYXFVJUSXKI-CYBMUJFWSA-N 281.149 3.088 50 1 CGGF C[C@]1(CI)C[C@H]2CCC[C@@H](C2)OO1 101352564 FPIHLSCFPRIJSJ-LPEHRKFASA-N 296.148 3.091 50 1 CGGF CCOC(=O)c1ccccc1SSc1nnc(C)o1 1857638386 HTQIYEOCKMZITQ-UHFFFAOYSA-N 296.373 3.354 50 1 CGGF CC1(C)[C@@H](Cl)[C@@H](O)C[C@]2(C)C/C(=C/C=O)CC[C@@H]12 4847156 HWPNRSYBULQAQB-DEKCHLJESA-N 270.800 3.316 50 1 CGGF CS(=O)(=O)c1ccc2[nH]c(CCl)c(CCl)c2c1 587648868 IKVKNVOMDQBEHB-UHFFFAOYSA-N 292.187 3.049 50 1 CGGF CC(C)(C)[Si](C)(C)O[C@H]1CCCO[C@@H]1C/C=C/CO 195124896 AEAQZSBAVONIGV-AFJNRPGYSA-N 286.488 3.494 50 1 CGGF N#Cc1cc(Cl)c2[nH]c(/C=C/CBr)nc2c1 586974677 YIKJQDAYFNWKHJ-OWOJBTEDSA-N 296.555 3.496 50 1 CGGF ClC[C@H](Cl)c1nc2ccc(Cl)nc2[nH]1 587009141 XDYCSYORFFDERI-BYPYZUCNSA-N 250.516 3.130 50 1 CGGF C=C1C(C)=C(C#N)C(=O)N1c1ncc(Cl)cc1Cl 64409148 YKRXJTQRQVELGT-UHFFFAOYSA-N 280.114 3.089 50 1 CGGF O[C@H](CCl)CNc1cc(Cl)ccc1Cl 29126685 JLHVUDMOAFAAPB-SSDOTTSWSA-N 254.544 3.005 50 1 CGGF Cc1cccc2c1[C@](C)(OO)c1c(C)coc1C2=O 85879992 WJJDWAGMRXHMKI-HNNXBMFYSA-N 258.273 3.194 50 1 CGGF CO[C@@H]1O[C@@]2(C)CC[C@H]3CC(C)(C)CC[C@@]31OO2 100863946 CSJORYNQUHVXHL-OIMNJJJWSA-N 256.342 3.012 50 1 CGGF O=C(NCCCl)Nc1ccc(OC2CCCC2)cc1 29047812 LLDPYHYLHNKPRN-UHFFFAOYSA-N 282.771 3.368 50 1 CGGF C=C[C@](C)(O)CCC=C(C)C(=O)C=CC(C)(C)OO 2356589511 IKNXPYDWPREFAY-HNNXBMFYSA-N 268.353 3.043 50 1 CGGF COc1ccc(C=C(C#N)C(=O)c2ccccc2)cc1 1857626812 WISBDQKRXNGNJX-UHFFFAOYSA-N 263.296 3.485 50 1 CGGF CCOc1ccccc1O[C@H](c1ccccc1)[C@H](O)C#N 2356752479 STKARNZFYWDLSB-RHSMWYFYSA-N 283.327 3.090 50 1 CGGF ClC[C@]12N[C@@H](Cc3ccccc31)c1ccccc12 100659986 UOLSUAISTAABPY-HOTGVXAUSA-N 255.748 3.369 50 1 CGGF C=C(C=C(C)c1oc(OC)c(C)c(=O)c1C)[C@H](CC)OO 2356590627 WEZSZDDFETVTDK-ZDUSSCGKSA-N 294.347 3.493 50 1 CGGF Cc1ccc([C@@H](Br)CN(C)C)cc1C 169345667 RKOAGISLQXPRPE-LBPRGKRZSA-N 256.187 3.301 50 1 CGGF Cc1ccc(C(=O)/C(C#N)=C/c2ccc(O)c(O)c2)cc1 13822331 ZALNJTCOAIAQFA-RIYZIHGNSA-N 279.295 3.196 50 1 CGGF C=C[C@]1(C)CC[C@H]([C@H](C)[C@@]2(O)C[C@](C)(C(=C)C)OO2)O1 2356459513 OQNVNFHRJADGGG-UYJHQMFVSA-N 282.380 3.122 50 1 CGGF C=C[C@@]1(C)CC[C@@H]([C@H](C)[C@@H]2C=CC(C)(C)OO2)O1 238771090 RXXCFDMFXFGCML-ABHRYQDASA-N 252.354 3.411 50 1 CGGF O=C(Cl)CCCC(=O)c1coc2cc([N+](=O)[O-])ccc12 587279673 NVFCJHPHELGLHQ-UHFFFAOYSA-N 295.678 3.459 50 1 CGGF O=C(NN/C=C1\C=Nc2ccccc21)c1ccc(Cl)cc1 13126663 OOHNHCKWJMAXQO-ZRDIBKRKSA-N 297.745 3.331 50 3 CGGF CC(=O)c1ccc2nc(CCCCBr)[nH]c2c1 586972641 YERVHBHNHAETLZ-UHFFFAOYSA-N 295.180 3.483 50 1 CGGF C[C@@H]1CCC[C@@H]2C[C@]3(O)OOC(C)(C)C3=C[C@]12C 2356401946 UUSCHOCDYWYUOQ-FKGLVLAHSA-N 252.354 3.188 50 1 CGGF C/C=C/C#CC#C/C=C/C=C/CCCCC(=O)OC(C)=O 238771025 XHGRYBGLBWWWOY-VIGTXSPVSA-N 284.355 3.332 50 1 CGGF CCCC1=C(C(=O)OC)[C@H](c2ccccc2)C(C#N)=C(C)N1 62224681 LIWPBFULSCHDMB-MRXNPFEDSA-N 296.370 3.398 50 1 CGGF CCC(=O)N/N=C(\C)CC(=O)Nc1ccc2ccccc2c1 6999082 JNULBMWKJFKSKA-XDHOZWIPSA-N 297.358 3.071 50 3 CGGF Fc1cccc2nc(/C=C/CBr)[nH]c12 586974364 VMWPPOAYKSIVFX-GORDUTHDSA-N 255.090 3.110 50 1 CGGF Cc1ccccc1C1OOC(c2ccc(CO)cc2)OO1 72169771 GHXAUGWVQMOZJN-UHFFFAOYSA-N 288.299 3.095 50 1 CGGF CC1(C)[C@H]2CC=C(/C=N\NC(=O)c3ccccc3O)[C@@H]1C2 13138771 MHMOFKDAGZUTBJ-XDNFDDDSSA-N 284.359 3.100 50 1 CGGF C=C1CC[C@@]2(O)C[C@@]3(CC[C@H](C(C)C)[C@H]3C1)OO2 2356792559 JVVCXQKBJAJHAQ-TUVASFSCSA-N 252.354 3.188 50 1 CGGF Cc1ccc(N/C=C2/C=C(C=O)c3cccnc3C2=O)cc1 101652758 IRDNILBXAJVQBN-RAXLEYEMSA-N 290.322 3.165 50 1 CGGF Nc1cc2nsnc2cc1C#CCCCCCl 1857646334 WGUTVZDBFBQEKF-UHFFFAOYSA-N 265.769 3.034 50 1 CGGF O=c1sc2c(s1)-c1sc(=O)sc1SS2 1651775 YTGPGBUKPDTQAT-UHFFFAOYSA-N 296.466 3.433 50 1 CGGF COCCN(C(=O)CCl)C(=C(C)C)c1ccccc1 34163564 FSCDZQUUJUQOGI-UHFFFAOYSA-N 281.783 3.151 50 1 CGGF COC(=O)c1c(CCl)[nH]c2cc(Cl)c(F)cc12 587628641 PJXYXLNTAWVNOB-UHFFFAOYSA-N 276.094 3.486 50 1 CGGF COc1cc2nc([C@H](C)Br)[nH]c2cc1F 587007897 FPYYBPCNEOPKJJ-YFKPBYRVSA-N 273.105 3.167 50 1 CGGF CO[P@](=O)(CCCCN=C=S)c1ccccc1 1857650277 HKZITKHPLBCGSA-MRXNPFEDSA-N 269.306 3.119 50 1 CGGF C/C(=N/NC(=O)c1nc(C(C)C)cs1)c1ccccc1 45285701 UAMYFTNBLPKVGK-BOPFTXTBSA-N 287.388 3.421 50 1 CGGF COc1ccc(/C=N/NC(=O)Nc2c(C)cccc2C)cc1 28526083 RSCVQISBILMMSZ-WOJGMQOQSA-N 297.358 3.468 50 1 CGGF C=C(/C=C(\C)c1oc(OC)c(C)c(=O)c1C)[C@@H](CC)OO 85931643 WEZSZDDFETVTDK-AORWBKJGSA-N 294.347 3.493 50 1 CGGF CC1=C(C#N)[C@@H](c2cccnc2)C2=C(O)CCCC2=N1 759418 CDRRSIQFZJLCKU-OAHLLOKOSA-N 265.316 3.413 50 1 CGGF CC1(C)O[C@]2(CI)CCC[C@@H]1C2 101361040 FPHGIWXRSSQHRJ-PSASIEDQSA-N 280.149 3.159 50 1 CGGF C[C@H]1C=C[C@@H](CC(=O)OC23CC4CC(CC(C4)C2)C3)OO1 38158598 KTCRYERBUWFGEQ-INRQWTSDSA-N 292.375 3.164 50 1 CGGF Cc1c(CBr)[nH]c2c(C(=O)O)cccc12 587636978 RINIWUPJAKKEID-UHFFFAOYSA-N 268.110 3.069 50 1 CGGF C=C[C@](C)(O)CC[C@@H]1OO[C@H](C=C(C)C)CC1=C 2356331246 HYZUYRMHHUNOMH-ILXRZTDVSA-N 252.354 3.315 50 1 CGGF CC(C)(C)c1ccc(CNNC(=O)c2ccc(O)cc2)cc1 1857647283 JVTAKYDTWZWCMQ-UHFFFAOYSA-N 298.386 3.124 50 1 CGGF CC1(C)[C@H]2CCC(=CC=O)C[C@]2(C)C[C@@H](O)[C@@H]1Cl 2356626744 HWPNRSYBULQAQB-GUIRCDHDSA-N 270.800 3.316 50 1 CGGF C#Cc1ccc(/C=N/NC(=O)Nc2c(C)cccc2C)cc1 149717812 RZVRTHUPYVFTAH-XDHOZWIPSA-N 291.354 3.440 50 1 CGGF COC[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587497146 HHRVDQPJADZALZ-MRXNPFEDSA-N 294.778 3.155 50 1 CGGF CCCCCCC[C@H](O)C=CC#CC#CC=CC=O 2356470485 BQSLICDMKBSZHO-KRWDZBQOSA-N 258.361 3.026 50 1 CGGF CC(C)(C)c1cccc(/C=N/NC(=O)c2ccccc2)c1O 299829299 ZTEYCHUUBVNPGT-XDHOZWIPSA-N 296.370 3.454 50 1 CGGF O=C(O)c1cccc2c(CCl)c(CCl)[nH]c12 587639194 XMPAXJQOUPAOQW-UHFFFAOYSA-N 258.104 3.344 50 1 CGGF C[C@@H]1CC[C@H](OO)C2=CC(=O)[C@@H]3[C@H](C3(C)C)[C@@]21C 2356495025 BMIGITXCSNEZHP-KRBYICOBSA-N 250.338 3.062 50 1 CGGF C=C(C=C(C)c1oc(OC)c(C)c(=O)c1C)[C@@H](CC)OO 2356590626 WEZSZDDFETVTDK-CYBMUJFWSA-N 294.347 3.493 50 1 CGGF Fc1ccc2nc(/C=C/CBr)[nH]c2c1F 586972890 CNCYMLGXKASWQG-OWOJBTEDSA-N 273.080 3.249 50 1 CGGF Cc1ccc2nc(/C(C#N)=C\c3ccccc3)[nH]c2n1 587186961 BOXVBBOHUUSCQO-LCYFTJDESA-N 260.300 3.331 50 1 CGGF C[C@@]1(CI)C[C@H]2CCCC[C@@H]2OO1 43394008 YLXHTXGEAFDXNG-UTLUCORTSA-N 296.148 3.091 50 1 CGGF OCCCCCC[C@H](Br)CCCCCO 13861201 AEAUTVJBBBDXIV-LBPRGKRZSA-N 281.234 3.245 50 1 CGGF CCOC(=O)c1cccc(N(CCCl)CCCl)c1 169315120 NCXNCRUGPBQZKD-UHFFFAOYSA-N 290.190 3.147 50 1 CGGF C[C@H](Br)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587008167 ISSBHJGQRXJROA-BYPYZUCNSA-N 288.076 3.066 50 1 CGGF Cc1cnc(Cl)c2[nH]c(/C=C/CBr)nc12 586974097 QOFAQYSGLPYZGS-NSCUHMNNSA-N 286.560 3.328 50 1 CGGF Cc1cccc(C)c1OCC(=O)N/N=C\C=C\c1ccco1 13132531 BISMLCYVWXHSBN-CGNXVJBXSA-N 298.342 3.091 50 1 CGGF ClC[C@H](Cl)c1nc2cc(Cl)ncc2[nH]1 587006988 AKFBMOWZRKYWDC-BYPYZUCNSA-N 250.516 3.130 50 1 CGGF CC(=O)c1ccc2nc([C@H](Cl)CCl)[nH]c2c1 587007325 CBJHDNZCFPQJQD-MRVPVSSYSA-N 257.120 3.284 50 1 CGGF CC1=Nc2ccccc2/C1=C/NNC(=O)Cc1cccs1 104010933 FUPMLAHOOVVGNW-GXDHUFHOSA-N 297.383 3.059 50 3 CGGF CC1=NC(C)=C(C#N)[C@H](c2cccc(F)c2F)[C@@H]1C#N 169723383 AHRSAJPRCMEHRW-BXUZGUMPSA-N 271.270 3.460 50 1 CGGF CC1=Nc2ccccc2/C1=C/NNC(=O)c1cccs1 104025434 VPEMSVITEQKBHA-FMIVXFBMSA-N 283.356 3.130 50 3 CGGF C[C@@H]1CC(=O)C=C2CC[C@@H]([C@](C)(O)CCl)C[C@]21C 238783974 KPYHTUZITCDCFL-WAZAZEMKSA-N 270.800 3.318 50 1 CGGF C=C(C)[C@@H]1CC=C(/C=N/NC(=O)c2ccccc2O)CC1 95808745 MYMAFDGWKQKWQH-XWAFYUISSA-N 284.359 3.410 50 1 CGGF Cc1c(CCCCl)[nH]c2c(C(=O)O)cccc12 587638777 PTQAXIMSJXEDHJ-UHFFFAOYSA-N 251.713 3.346 50 1 CGGF S=C=Nc1ccc(-c2noc(CCl)n2)cc1 28238304 LRZUZYKCDHYPGO-UHFFFAOYSA-N 251.698 3.210 50 1 CGGF C=C(c1ccccc1)[C@@H]1CCOC2(CCC(O)CC2)OO1 43620330 IUGRUMUURNQYBS-CGZBRXJRSA-N 290.359 3.068 50 1 CGGF Fc1cc2nc([C@@H](Cl)CCl)[nH]c2c(F)c1F 587009254 YSQMZENEKUXAEY-VKHMYHEASA-N 269.053 3.499 50 1 CGGF CC(=O)CCCCc1cccc(NC(=O)NCCCl)c1 29063092 CXHCAZWHOGTOFL-UHFFFAOYSA-N 296.798 3.349 50 1 CGGF Cc1[nH]c2cc(F)ccc2c1NC(=O)[C@H](C)Cl 587633035 WTTPUOQMDBWIHJ-LURJTMIESA-N 254.692 3.181 50 1 CGGF Oc1ccc2c(c1)[C@]1(CCC[C@H](Br)C1)NCC2 963350252 ANZGQVXKHMVFCD-SMDDNHRTSA-N 296.208 3.071 50 1 CGGF CCO/C(O)=C(/C=C\C=O)Sc1ccccc1 26663765 DEKPHXXKFKDTHL-IIBIBAHBSA-N 250.319 3.297 50 1 CGGF N#C/C(=C/c1ccccc1)c1nc2cccc(O)c2[nH]1 587187318 FUZIDEOWYAOYJD-XFXZXTDPSA-N 261.284 3.333 50 1 CGGF O=C(Cl)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 102847976 NMWZRZCBUUNGSW-UHFFFAOYSA-N 292.619 3.409 50 1 CGGF C/C(=C\C[C@@H](Br)/C(C)=C/C=O)CCl 28637944 KGSVMLBXKKREBT-HZKFMZGYSA-N 265.578 3.470 50 1 CGGF CC(C)=C1C[C@]2(C)C(=CC1=O)[C@H](Cl)[C@@H](O)C[C@@H]2C 2356581780 KRUYTVXXGLLMSF-BCZWGYKPSA-N 268.784 3.236 50 1 CGGF COC(=O)c1cc2c(cn1)[nH]c1ccc(N=C=S)cc12 38192606 ZXHKRYZQERFKDK-UHFFFAOYSA-N 283.312 3.237 50 1 CGGF C=C(c1ccccc1)[C@H]1COC2(CCC(C)(O)CC2)OO1 43491168 SEBQRKXXQUGSLC-KLAILNCOSA-N 290.359 3.068 50 1 CGGF Cc1nccc2[nH]c([C@H](Br)C(C)(C)F)nc12 587086559 CZSMALLZSLUNGI-VIFPVBQESA-N 286.148 3.450 50 1 CGGF COc1ccc(/C(C=O)=C/c2cc(OC)cc(OC)c2)cc1 96284012 BOMAEGVTQQWREQ-OVCLIPMQSA-N 298.338 3.452 50 1 CGGF C[C@@]12CC[C@@]3(Cc4ccccc4)[C@](C)(OO[C@@]3(C)O1)O2 254093761 QEZPIJHDSXXMIS-RUPPMWDTSA-N 276.332 3.167 50 1 CGGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCC[C@H]1Cl)O2 587380291 CWIMCBQGENIYRZ-HIFRSBDPSA-N 279.767 3.463 50 1 CGGF C[C@H]1CCO[C@@H]2O[C@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 43427156 QGTNBZCODYOPJL-NMPAGYRCSA-N 282.380 3.258 50 1 CGGF COC(=O)[C@]1(C)[C@H]2/C=C(/C=O)CC/C=C(\C)CC[C@H]21 238788658 NRZFMXMBODNUGB-VTILGZRGSA-N 262.349 3.057 50 1 CGGF CC1(C)[C@@H](Cl)[C@@H](O)C[C@]2(C)C/C(=C\C=O)CC[C@@H]12 13919082 HWPNRSYBULQAQB-QLAKETFOSA-N 270.800 3.316 50 1 CGGF CC(C)=C1C[C@]2(C)C(=CC1=O)[C@H](Cl)[C@H](O)C[C@H]2C 2356581781 KRUYTVXXGLLMSF-FHOOGIDHSA-N 268.784 3.236 50 1 CGGF COc1cc2nc(CBr)[nH]c2cc1Cl 586971133 MTPWMFWEKQSXPI-UHFFFAOYSA-N 275.533 3.120 50 1 CGGF Clc1cncc2nc(/C=C\CBr)[nH]c12 586974295 VBBVVRSQCDDLGO-UPHRSURJSA-N 272.533 3.019 50 1 CGGF CCO/C=C(\C#N)c1cc2c3c(cccc3n1)CC2 587213416 RFPLMHHMJQUCRS-JLHYYAGUSA-N 250.301 3.234 50 1 CGGF CC1=CO[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 101459677 UKXCIQFCSITOCY-IONOKRPISA-N 266.337 3.136 50 1 CGGF COc1ccc2nc(/C(C#N)=C/c3ccccc3)[nH]c2n1 587187270 FQKBSWINAXIPIW-FMIVXFBMSA-N 276.299 3.031 50 1 CGGF C=C1CC[C@@H]2OC[C@@H]2CC[C@@H]2[C@H]([C@H]1OO)C2(C)C 2356549814 GEUBDECVHUNFDD-VJTDZRGJSA-N 252.354 3.262 50 1 CGGF BrCCCc1nc(-c2ccccc2)no1 1247906914 RAEHTKLBKPRVOS-UHFFFAOYSA-N 267.126 3.064 50 1 CGGF O=C(N/N=C\c1ccc(F)cc1)c1ccc2ncccc2c1 1857545660 DKMMOUUZCOONCG-JAIQZWGSSA-N 293.301 3.138 50 1 CGGF O=C(CCBr)c1coc2ccccc12 587280678 RGBXCHPVGSNCFM-UHFFFAOYSA-N 253.095 3.401 50 1 CGGF CCOC(=O)CC[C@]1(C)CC2(CCCCC2)OO1 43574752 KNYYUWHFIDKINI-CYBMUJFWSA-N 256.342 3.143 50 1 CGGF Cc1ccc(SSC(=S)N2CCOCC2)cc1 5572905 OYQVHINZKVLOAW-UHFFFAOYSA-N 285.459 3.352 50 1 CGGF O=C(CCl)N[C@@H]1Cc2ccccc2[C@H](c2ccccc2)C1 13494164 VKBMUJCDAZKJDY-WBVHZDCISA-N 299.801 3.488 50 1 CGGF CCCCCCCCCCCc1ccc(B(O)O)cc1 170152033 CGMZNRHLKZJXFR-UHFFFAOYSA-N 276.229 3.440 50 1 CGGF Fc1cc2nc(/C=C\CBr)[nH]c2cc1F 586973719 NCYCOGKEHXJOBD-UPHRSURJSA-N 273.080 3.249 50 1 CGGF C/C(=N\NC(=O)c1ccccc1O)c1cc2ccccc2[nH]1 95559596 NMMSIHABKCUNSD-YBFXNURJSA-N 293.326 3.028 50 1 CGGF ClC[C@H](Cl)c1nc2cc(Br)ncc2[nH]1 587007846 HSCWZGMYOIISEX-BYPYZUCNSA-N 294.967 3.239 50 1 CGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(C(C)C)O2 587372376 KUTODJDPEJZZEX-CQSZACIVSA-N 267.756 3.176 50 1 CGGF CC1=CC(C)(C)C(C=O)=C[C@@H]1OC(=O)CC(C)C 2356686766 RJXSYVYVSLFPEY-ZDUSSCGKSA-N 250.338 3.056 50 1 CGGF C=C(C)[C@H]1OOC2(O[C@H]1C)C1CC3CC(C1)CC2C3 43462877 FDVWRLAYGRZRQX-IGRMKNIWSA-N 264.365 3.450 50 1 CGGF C#C/C=C\C[C@@H](Cl)[C@H]1CCC(=O)C=C[C@@H](CC)O1 238758306 OQCPIRSOVPXDNM-IPONWTTESA-N 266.768 3.256 50 1 CGGF Cc1ccc(C)c2[nH]c(-c3ccc4c(c3)C(=O)OC4=O)nc12 586906077 IOCXGKQRSBRROJ-UHFFFAOYSA-N 292.294 3.157 50 1 CGGF CC1(C)C[N@]1P(=O)(NC1CCCCC1)[N@@]1CC1(C)C 1857536041 RYPGELGSZBUQOM-IRXDYDNUSA-N 285.372 3.205 50 1 CGGF CCCC[C@H]1C(=O)O[C@H]2OC(C)(C)OO[C@@]23CCCC[C@@H]13 43327984 RBKOVVKPAGZLCR-TWJWRFFLSA-N 298.379 3.319 50 1 CGGF C/C(C=O)=C\CC/C(C)=C/C=C/C(=O)N1CCCC1 40891844 VOMDUWUNYFLEIJ-GRVFCJIBSA-N 261.365 3.037 50 1 CGGF CC(=O)OC[C@]1(C)[C@H]2C=C(C=O)CCC=C(C)CC[C@H]21 2356545336 RBYAXSDAQKDGTH-IKGGRYGDSA-N 276.376 3.447 50 1 CGGF N#C/C(=C/c1ccccc1)c1nc2ccc(O)cc2[nH]1 587188543 SKZYCOBRRLXXRB-WQLSENKSSA-N 261.284 3.333 50 1 CGGF COC(=O)[C@]1(C)[C@@H]2C=C(C=O)CCC=C(C)CC[C@H]21 1857626391 NRZFMXMBODNUGB-FMKPAKJESA-N 262.349 3.057 50 1 CGGF Fc1ccc(-c2noc(CCCBr)n2)cc1 1247906194 FPMRQGIYYXZLHV-UHFFFAOYSA-N 285.116 3.203 50 1 CGGF Cc1cc(C(=O)N/N=C\c2c(C)[nH]c3ccccc23)c(C)o1 58981679 NASBWRUYMHQMSB-NVMNQCDNSA-N 295.342 3.450 50 1 CGGF C=C[C@]1(C)CC[C@H]([C@H](C)[C@@]2(O)C[C@@](C)(C(=C)C)OO2)O1 2356459510 OQNVNFHRJADGGG-CQJMVSDSSA-N 282.380 3.122 50 1 CGGF N[C@H](CCl)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587010656 MOKFFPOQSMDFPQ-GFCCVEGCSA-N 299.761 3.033 50 1 CGGF C[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 144750135 LTMHSJHRBJNEIZ-WPMQTRGGSA-N 282.380 3.257 50 1 CGGF N#C/C(=C/c1ccccc1)c1nc2cnc(Cl)[nH]c-2n1 587188753 VHYPGDVINIZXGW-POHAHGRESA-N 281.706 3.022 50 1 CGGF CC(C)[C@]1(O)CC[C@](C)(N=C=S)[C@H]2CC[C@@](C)(O)C=C21 2356654288 ZUDSVIIZJCRBTA-DRPJVOAASA-N 295.448 3.116 50 1 CGGF N#Cc1ccc2c(C(=O)CCCC(=O)Cl)coc2c1 587279643 YUTPDGFVILMKPZ-UHFFFAOYSA-N 275.691 3.423 50 1 CGGF N#C/C(=C(\O)Nc1ccccc1)c1nc2ccccc2[nH]1 101628047 VZMPUXOZPMMPNI-FOWTUZBSSA-N 276.299 3.425 50 1 CGGF N#C/C(C(=O)Nc1ccccc1C(F)(F)F)=C(/O)C1CC1 38957782 BWXIPLBRXXPTTF-XFXZXTDPSA-N 296.248 3.390 50 1 CGGF C[C@H]1CCCC[C@H]1c1cc(C(=O)NN)nc2ccccc12 299861492 IHKFNHOJSOAMSI-NWDGAFQWSA-N 283.375 3.132 50 1 CGGF O=C(CCBr)c1coc2cc([N+](=O)[O-])ccc12 587279725 PRITYBNQEYQBBP-UHFFFAOYSA-N 298.092 3.309 50 1 CGGF CC(C)(C)[Si](C)(C)O[C@H]1CCCO[C@@H]1CC#N 195384445 OYAAFYBEDWJBHI-NEPJUHHUSA-N 255.434 3.469 50 1 CGGF COC[C@@](C)(C(=O)OC)C(Cl)=CC(C)=CCCl 2356797242 NRRPNRDFOIBIBZ-GFCCVEGCSA-N 281.179 3.120 50 1 CGGF N#CC1=C(N)Oc2c(ccc3[nH]ccc23)[C@H]1c1ccccc1 40587732 FEOHEBZWHIAFGN-MRXNPFEDSA-N 287.322 3.386 50 1 CGGF C[C@H]1C=CN(C)c2c1c1c(n2C)CC[C@H]1OCCCl 101614239 ZPCZZAHGSUQXMT-CMPLNLGQSA-N 280.799 3.335 50 1 CGGF COc1cc(/C=C/C=O)cc(OC)c1OCC=C(C)C 72108437 ZSONKUAGKYSNNU-AATRIKPKSA-N 276.332 3.261 50 1 CGGF C[C@@H](Cl)/C=C/C(=O)N(C)Cc1ccc(Cl)cc1 103286665 DFOIYGKSFYAGQI-SIUBYYJGSA-N 272.175 3.482 50 1 CGGF C=C(c1ccc(C)cc1)[C@@H]1COC2(CCC(=O)CC2)OO1 43523767 AFZHCTDLDHDVTE-INIZCTEOSA-N 288.343 3.195 50 1 CGGF COC(C)(C)[C@@H](Br)c1nc2cccc(O)c2[nH]1 586970721 FCWCRKDLGVQINB-JTQLQIEISA-N 299.168 3.130 50 1 CGGF CCc1[nH]c2cc(F)ccc2c1NC(=O)CCl 587632864 LFFOHFUJRNBMFW-UHFFFAOYSA-N 254.692 3.047 50 1 CGGF O=C(NCCCl)Nc1cccc(CCCCCCO)c1 42963987 NVUYZWRYEWGXAT-UHFFFAOYSA-N 298.814 3.142 50 1 CGGF COc1cc2nc([C@H](C)Br)[nH]c2cc1C 587007752 DNEIGXBVBFUBPZ-ZETCQYMHSA-N 269.142 3.336 50 1 CGGF CC1(C)[C@@H](Br)C[C@H]2OCC=C2[C@H]1Cl 238758321 YHZJDEGDXGWSHO-HRDYMLBCSA-N 265.578 3.112 50 1 CGGF C=C1CC/C=C(\C)C[C@@H]2OC(=O)C(=C)[C@H]2C[C@@H]1OO 238747589 VJRAEZGZDCGNTL-HQJYEZFTSA-N 264.321 3.019 50 1 CGGF Cc1ccc2nc(-c3ccc4c(c3)C(=O)OC4=O)[nH]c2c1C 586907227 VFBQJBQBPFTRKG-UHFFFAOYSA-N 292.294 3.157 50 1 CGGF CC1=CC(=O)CC(C)(C)[C@@]12CC[C@@](C)(O)[C@@H](Cl)C2 14924092 FFJGHAJGNCTETN-NWANDNLSSA-N 270.800 3.460 50 1 CGGF Cc1cncc2nc(/C(C#N)=C/c3ccccc3)[nH]c12 587188182 OFHLGZSBBSJVFV-NTUHNPAUSA-N 260.300 3.331 50 1 CGGF CCC[C@@H](Cl)NOC(=O)Nc1cccc(C)c1 4172313 MVWFQGUSGAHBEU-NSHDSACASA-N 256.733 3.413 50 1 CGGF C=C(C)[C@@H]1OO[C@]2(O[C@H]1C)[C@H]1CC3C[C@@H](C1)C[C@H]2C3 1857544568 FDVWRLAYGRZRQX-BCYOCNORSA-N 264.365 3.450 50 1 CGGF C=C(C)[C@H](O)CCC(=C)[C@@H]1COC2(CCCCC2)OO1 42784704 WCTXQKONDOZUKP-CABCVRRESA-N 282.380 3.267 50 1 CGGF C=C(c1ccc(OC)cc1)[C@H]1COC2(CCCC2)OO1 43099906 KCJOMSKAODIOTK-OAHLLOKOSA-N 276.332 3.326 50 1 CGGF O=C(CCc1ccccc1)N/N=C\[C@H]1CC=CCC1 15919475 XZAYVVKLXRWOIV-SUCHYCSPSA-N 256.349 3.078 50 3 CGGF C=C[C@]1(C)CC[C@H]([C@H](C)[C@]2(O)C[C@](C)(C(=C)C)OO2)O1 2356459511 OQNVNFHRJADGGG-GCSSGZNBSA-N 282.380 3.122 50 1 CGGF C[C@@]1(C(=O)NNc2cccc3ncccc23)C[C@@H]2C=C[C@H]1C2 40957585 DOARLLFDFTYHPZ-FHSNZYRGSA-N 293.370 3.280 50 1 CGGF COC(=O)[C@H](Cl)c1[nH]c2cccc(F)c2c1C 587632029 AYBOHJGAXYFTNK-SNVBAGLBSA-N 255.676 3.068 50 1 CGGF O=C1OC(=O)c2cc(-c3nc4cccc(Cl)c4[nH]3)ccc21 586907098 KFYWHGWZLZOLEU-UHFFFAOYSA-N 298.685 3.194 50 1 CGGF CC(=O)C=CC=CC(=O)C(C)=CCCC(C)=CC=O 2356717861 XSDFSTOUOKURHW-UHFFFAOYSA-N 260.333 3.129 50 1 CGGF CC[C@H](C)[C@]1(CCl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587417843 QBNMLXSCCZMPLQ-DUZHOBMZSA-N 294.778 3.466 50 1 CGGF N#Cc1nc(Cl)cc2nc([C@H](Cl)CCl)[nH]c12 587009175 YEWOWQHJWLCAIN-SCSAIBSYSA-N 275.526 3.002 50 1 CGGF O[C@@H](CCl)CNc1c(Cl)cccc1Cl 29126682 MOEFZLYQNOJNGF-LURJTMIESA-N 254.544 3.005 50 1 CGGF C=C(C)[C@@H]1CC=C(/C=N/NC(=O)c2ccccn2)CC1 95809720 JJDAUSCIDSTASM-XWAFYUISSA-N 269.348 3.100 50 1 CGGF COCCN(C(=O)CCl)C(=C(C)C)c1ccc(C)o1 103191862 BDCZKWLWGXGADA-UHFFFAOYSA-N 285.771 3.053 50 1 CGGF O=C(Nc1cccc(OC(F)(F)F)c1)C(Cl)Cl 64490547 GZULOEHOHUMRBK-UHFFFAOYSA-N 288.052 3.327 50 1 CGGF CC1=CC2=CC(C)(C)C[C@@]2(OO)[C@H](C)CC[C@@H]1O 96911621 JXXGQPLNOPZHMH-OSAQELSMSA-N 252.354 3.308 50 1 CGGF Cc1ccc(C(=O)N/N=C/c2ccccc2Cl)c(O)c1 98082823 YZDJXFLWOFFTJZ-RQZCQDPDSA-N 288.734 3.118 50 1 CGGF Cc1ccc([C@]2(C)CC[C@@H](C(C)(C)O)OO2)cc1 1617730 FCQCSKGBKUYFSW-ZFWWWQNUSA-N 250.338 3.092 50 1 CGGF biogenic C/C(C=O)=C\C=C\[C@]1(C)C=Cc2cc(O)ccc2O1 238775902 ZLEMUDCAEPTXIK-MWFGFGSASA-N 256.301 3.258 50 1 CGGF FC(F)(F)Oc1cccc2nc(CBr)[nH]c12 586972101 GMAMHJKDBDEWAV-UHFFFAOYSA-N 295.058 3.356 50 1 CGGF CC1(C)CCC(C)(C)c2cc([Si](C)(C)O)ccc21 207176026 TWEFLXFTPIQFDY-UHFFFAOYSA-N 262.469 3.440 50 1 CGGF Fc1ccc2nc(/C=C\CBr)[nH]c2c1 586973768 ODPIJOVZJXGTJF-UPHRSURJSA-N 255.090 3.110 50 1 CGGF [C-]#[N+]C1=C(C)N=C(C)[C@@H](C#N)[C@@H]1c1cc2c(N)nccc2o1 169698717 UNZVZFYMTAXDSR-BXUZGUMPSA-N 291.314 3.259 50 1 CGGF C[C@@]1(CI)C[C@H]2CCC[C@@H](C2)OO1 101352570 FPIHLSCFPRIJSJ-GUBZILKMSA-N 296.148 3.091 50 1 CGGF CC(=O)N1C[C@@H](CCl)c2c1cc(O)c1ccccc21 26272801 IFNKDBIAQKICQV-SNVBAGLBSA-N 275.735 3.234 50 1 CGGF CC1(C)[C@@H]2/C=C(/COO)CC[C@@H]3O[C@]3(C)CC[C@H]21 238740687 WMKOXLOLBDIFPW-OMGXQWRYSA-N 252.354 3.406 50 1 CGGF C=C1CC[C@@H]2C(=C)C(=O)O[C@H]2C=C(C)CC[C@H]1OO 2356657513 IXRHWRRLTANMPL-MCIONIFRSA-N 264.321 3.019 50 1 CGGF C=C(CC(=O)c1coc2cc([N+](=O)[O-])ccc12)C(=O)Cl 587279938 VJPSLYLXTKHZIY-UHFFFAOYSA-N 293.662 3.235 50 1 CGGF O=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)O 14619627 GIIWFUDWDOUFTE-JCSPMBIZSA-N 256.301 3.163 50 1 CGGF C[C@@H]1CC[C@H](OO)C2=CC(=O)[C@@H]3[C@@H](C3(C)C)[C@]21C 2356495024 BMIGITXCSNEZHP-IJSHJKMVSA-N 250.338 3.062 50 1 CGGF ClC[C@H](Cl)c1nc2cncc(Br)c2[nH]1 587008361 OCWLWDKCWJCGQX-YFKPBYRVSA-N 294.967 3.239 50 1 CGGF N#Cc1ccccc1COc1ccccc1/C=C/C=O 29480491 CTOJXXMGNLZEJK-WEVVVXLNSA-N 263.296 3.349 50 1 CGGF C=C(CC(=O)c1cc(O)ccc1O)[C@@H]1CCC(C)(C)OO1 85611315 AZWYCFJTWBQTTG-HNNXBMFYSA-N 292.331 3.116 50 1 CGGF biogenic,in-vitro BrC[C@H]1Cc2nc3cccc4c3c(c21)CC4 587208044 KKAYZKMANASRSH-SECBINFHSA-N 274.161 3.368 50 1 CGGF CN(C)/N=N/c1ccc(C(=O)N/N=C/c2ccccc2)cc1 18142413 DUBXEDFUFONYSV-FJXUSZBFSA-N 295.346 3.011 50 1 CGGF CC(C)(C)[Si](C)(C)O[C@H]1CCCO[C@@H]1/C=C/CO 195104806 SJRUNXCIPCBXDS-DZTBXEGKSA-N 272.461 3.104 50 1 CGGF OCC1=CC=C(COc2ccccc2F)SS1 6567966 XXIZITVYJNRTKD-UHFFFAOYSA-N 270.350 3.360 50 1 CGGF CC(=O)OCC1=CCCC(C=O)=C[C@@H]2[C@@H](CC1)C2(C)C 299812341 VGOHBZXHAWVRBT-HZPDHXFCSA-N 276.376 3.447 50 1 CGGF C=CCCCCC[C@@H](Cl)[C@@H](O)[C@H](O)C#CC#CCCC 85832073 STCGGZQKYSWART-BRWVUGGUSA-N 296.838 3.259 50 1 CGGF Clc1cncc2nc(CCCCBr)[nH]c12 586972047 DFIRDSCZKWUORQ-UHFFFAOYSA-N 288.576 3.329 50 1 CGGF C=CCCCCC[C@H](Cl)[C@H](O)CC#CC#C[C@@H](O)C=C 14924057 MORPELUWUARUFU-YESZJQIVSA-N 294.822 3.035 50 1 CGGF endogenous,in-man C[C@H]1CCC[C@]2(C)C[C@H]3OO[C@@]12C=C3C(C)(C)OO 2356420020 MANNKSPVIMNEML-BTQDYEIMSA-N 268.353 3.480 50 1 CGGF O=C(CCC1CCCCC1)NN=C1SCCS1 73824935 USSAWNVIIXUIRK-UHFFFAOYSA-N 272.439 3.214 50 1 CGGF CC(C)(C)c1ccc(O)c(/C=N/NC(=O)c2ccccc2)c1 28567647 CFIVDALDBLZMDX-XDHOZWIPSA-N 296.370 3.454 50 1 CGGF CCCCCC=CC[C@@]1(OC(C)=O)C=CC(=O)C1=CC=O 2356588037 GQEGEZIKMJIZMB-QGZVFWFLSA-N 290.359 3.079 50 1 CGGF C=C[C@@](C)(O)CC[C@H](OO)C(=C)CC(=O)C=C(C)C 85873421 WIRFHQRSPGKCFP-LSDHHAIUSA-N 268.353 3.043 50 1 CGGF CCCC[C@@H]1C(=O)O[C@H]2OC(C)(C)OO[C@@]23CCCC[C@@H]13 169364957 RBKOVVKPAGZLCR-LMRQPLJMSA-N 298.379 3.319 50 1 CGGF Cc1cc2nc(CBr)[nH]c2cc1Cl 586971769 YPNXMVCBCXCGHL-UHFFFAOYSA-N 259.534 3.420 50 1 CGGF COC(C)(C)[C@@H](Br)c1nc2c(C)ccnc2[nH]1 586971124 MFTLGKSHKFGNPB-VIFPVBQESA-N 298.184 3.127 50 1 CGGF N#Cc1ccc2c(C(=O)[C@H](Cl)CCl)coc2c1 587277607 AEGSUCJDLLFZGI-SNVBAGLBSA-N 268.099 3.333 50 1 CGGF BrCCc1cnc2cccc3c2c1CC3 587208302 OUMPWOIXQZBNBI-UHFFFAOYSA-N 262.150 3.271 50 1 CGGF CC1=C(C#N)C(=C(C#N)C#N)O[C@@]1(C)Cc1ccccc1 1650450 QOGIOQFWVPQUKS-KRWDZBQOSA-N 275.311 3.159 50 1 CGGF C=C[C@](C)(Cl)[C@H](Cl)C=CC(=CCl)CO 2356470151 PORLDPZDDAKKST-ZJUUUORDSA-N 255.572 3.449 50 1 CGGF N#CC1=C(N)Oc2c(ccc3[nH]ccc23)[C@@H]1c1ccccc1 40587733 FEOHEBZWHIAFGN-INIZCTEOSA-N 287.322 3.386 50 1 CGGF Cc1nn(C)c2nc3ccccc3c(NCCCCl)c12 169328118 FICPSZDLRCKOFA-UHFFFAOYSA-N 288.782 3.471 50 1 CGGF Cc1c(C(=O)N/N=C\c2ccccc2)oc2cccc(O)c12 1911586804 ZFDIKFHWKDNSIE-ZDLGFXPLSA-N 294.310 3.211 50 1 CGGF C=C1C(C)=C(C#N)C(=O)N1c1ccccc1C(F)(F)F 64409758 CUNRZLSTHSQJPH-UHFFFAOYSA-N 278.233 3.406 50 1 CGGF CCS[C@H]1NC(=O)[C@@H]1[C@H](C)O[Si](C)(C)C(C)(C)C 195428559 IKAJSCSPWAOXBA-JBLDHEPKSA-N 289.517 3.222 50 1 CGGF CC(C)(C)[Si](C)(C)O[C@@H]1CCCO[C@@H]1/C=C\CO 195227712 SJRUNXCIPCBXDS-YVNFWLBFSA-N 272.461 3.104 50 1 CGGF COC(C)(C)[C@H](Br)c1nc2c(C)nccc2[nH]1 586971141 MVGZTMGNUPPRQN-SNVBAGLBSA-N 298.184 3.127 50 1 CGGF CC[C@]12CC[C@H]3[C@H](C)CC[C@@H]4CCO[C@@H](O1)[C@]34OO2 58683168 YOILOSTXXIBJEP-SPJHXALWSA-N 268.353 3.012 50 1 CGGF CC[C@@]12CC[C@H]3[C@H](C)CC[C@@H]4CCO[C@H](O1)[C@]34OO2 100859057 YOILOSTXXIBJEP-QAUDVVSPSA-N 268.353 3.012 50 1 CGGF CC(C)(C)c1ccc2nc([C@H](N)CCl)[nH]c2c1 587009854 CCHDSZJZIPBCTM-SECBINFHSA-N 251.761 3.099 50 1 CGGF COc1ccc([C@@H](CN(C)C)[Si]2(O)CCCCC2)cc1 170169555 KIXBFSFRCBHKLN-MRXNPFEDSA-N 293.483 3.001 50 1 CGGF CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](Cl)c1ccccc1)C2 29463009 KEXWPNSAABHTCM-IXXDHKBRSA-N 293.794 3.135 50 1 CGGF CC(C)(C)[Si](C)(C)O[C@@H]1CCO[C@]1(O)c1ccccn1 195516180 PUSAAHHPPYTCSM-UKRRQHHQSA-N 295.455 3.037 50 1 CGGF CC(/C=C/c1ccco1)=N\NC(=O)Cc1cccs1 13113892 WWZGIVAVMKNQTL-IIWXPVLZSA-N 274.345 3.089 50 1 CGGF CC(C)O[C@@H]1Sc2ccccc2[C@@H](O)[C@@H]1Cl 103182664 AAGPWJDBHBNNOU-QJPTWQEYSA-N 258.770 3.184 50 1 CGGF CCCCC(=O)Cc1cccc(NC(=O)CCl)c1 53293413 OOVUFVAGCQJKDV-UHFFFAOYSA-N 267.756 3.166 50 1 CGGF N#CSCCOc1ccc(Oc2cccnc2)cc1 96935376 UZCFHPOQCNARAC-UHFFFAOYSA-N 272.329 3.467 50 1 CGGF Clc1ccnc2[nH]c(/C=C\CBr)nc12 586974691 YNTZTSPNXLEBIT-UPHRSURJSA-N 272.533 3.019 50 1 CGGF COc1cc2c3c(c1)O[C@@](C)(C(Cl)Cl)[C@@H](C2)C3=O 587417362 LXPCPPNZMQAXDH-ISVAXAHUSA-N 287.142 3.005 50 1 CGGF COC(=O)[C@@]1(C)[C@H]2CCC(C)=CCCC(C=O)=C[C@@H]21 2356403575 NRZFMXMBODNUGB-DZKIICNBSA-N 262.349 3.057 50 1 CGGF CCC=C[C@]1(CC)C[C@@H](CC)[C@H](CC(=O)OC)OO1 2356382454 BAKJVBVQCDUJOC-VNHYZAJKSA-N 270.369 3.411 50 1 CGGF CC1(C)CN1P(=O)(Nc1ccccc1)N1CC1(C)C 43693171 ASGZNDMZHUIARK-UHFFFAOYSA-N 279.324 3.395 50 1 CGGF Cc1ccc(C2OOC(c3ccc(C=O)cc3)OO2)cc1 43010755 BLJOPDCGHZTYQT-UHFFFAOYSA-N 286.283 3.415 50 1 CGGF C=CCC[C@@]1(CCl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587417992 QWKDGHSMCCZKJJ-WBMJQRKESA-N 292.762 3.386 50 1 CGGF CC(=O)O[C@H](C)CC[C@]12OO[C@@H](C=C1C)CC2(C)C 100789833 KECLSDLNORDPRG-ZLDLUXBVSA-N 268.353 3.164 50 1 CGGF CC[C@]1(CCCl)CC(=O)c2cc(C)cc(N)c2O1 587370720 BJNSUYVNNFCUKC-AWEZNQCLSA-N 267.756 3.320 50 1 CGGF C[C@@H]1CC(=O)C=C2[C@H](OO)C[C@@H]3[C@@H](C3(C)C)[C@]21C 169643839 WSPMZWWNOOVCCF-XANOUDBCSA-N 250.338 3.062 50 1 CGGF C[C@@H]1CC(=O)C=C2CC[C@H]([C@](C)(O)CCl)C[C@]21C 2356553763 KPYHTUZITCDCFL-UEEZHKSASA-N 270.800 3.318 50 1 CGGF C=C1C=C[C@H]([C@H](C)CC=CC(C)(C)OO)C[C@H]1O 2356425601 OZVHKBNOLDNDLO-KWCYVHTRSA-N 252.354 3.330 50 1 CGGF N#Cc1ccccc1COc1cccc(/C=C/C=O)c1 29479962 QFSXTQZGNXJFDZ-GQCTYLIASA-N 263.296 3.349 50 1 CGGF Cc1ccccc1C(=O)Oc1ccccc1/C=C/C=O 26500483 RAXYTQXUICPQIR-RMKNXTFCSA-N 266.296 3.426 50 1 CGGF Cc1ccc(/C=N/NC(=O)c2cnc3ccccc3c2)cc1 1857761934 BHAYWSQSFJZMEO-RGVLZGJSSA-N 289.338 3.307 50 1 CGGF COc1ccccc1C(=O)Oc1ccccc1/C=C/C=O 29480334 SQJYWGROINDBCN-SOFGYWHQSA-N 282.295 3.127 50 1 CGGF COc1cccc2nc([C@H](C)Br)[nH]c12 587007690 CYYLZKBQWDRVGM-LURJTMIESA-N 255.115 3.027 50 1 CGGF Clc1nccc2nc(CCCCBr)[nH]c12 586972313 LZETYRUBXTXOCD-UHFFFAOYSA-N 288.576 3.329 50 1 CGGF Cc1ccc(/C=C(/C#N)c2nc3ccnc(O)c3[nH]2)cc1 587187356 FLDFUHGJGHPMKZ-WQLSENKSSA-N 276.299 3.036 50 1 CGGF CC=C[C@@](C)(C(=O)OCCP1OOO1)C(C)(C)C 2356705439 NTSGMUYXQCJEII-LBPRGKRZSA-N 276.269 3.363 50 1 CGGF CC1(C)[C@@H]2/C=C(/COO)CC[C@H]3O[C@]3(C)CC[C@H]21 136806205 WMKOXLOLBDIFPW-KDXTWHERSA-N 252.354 3.406 50 1 CGGF C/C(C=O)=C\c1ccc(OCC(=O)O)c(Cl)c1Cl 169341506 QHHXGNBTHWUYRI-QPJJXVBHSA-N 289.114 3.059 50 1 CGGF C/C(=N\NC(=O)Nc1ccc(C)cc1)c1ccccc1O 103172894 HSBGIQFBOSHSHT-LDADJPATSA-N 283.331 3.246 50 1 CGGF N#C/C(=C\c1ccccc1)c1nc2cccc(C#N)c2[nH]1 587187065 CPOZVBXSWLXEMI-NTEUORMPSA-N 270.295 3.499 50 1 CGGF COc1ccc(C(C#N)=Cc2cccc(N)c2)cc1 2356318729 RYWLHRBANKUJLH-UHFFFAOYSA-N 250.301 3.342 50 1 CGGF C=C[C@](C)(O)CC[C@@H]1OO[C@@H](C=C(C)C)CC1=C 2356331248 HYZUYRMHHUNOMH-KKUMJFAQSA-N 252.354 3.315 50 1 CGGF N#C/C(=C1\C=CC(=NO)C(Cl)=C1)c1ccccc1 253678045 PUGDLVPAXCLGPY-WZSGXLPTSA-N 256.692 3.486 50 3 CGGF CCOC(=O)[C@@H](Cl)c1nc2cccc3c2c(c1C)CC3 587209813 YEOQKIGKCXPUSG-AWEZNQCLSA-N 289.762 3.485 50 1 CGGF Cc1[nH]c2cccc(F)c2c1NC(=O)[C@@H](C)Cl 587632295 IWWXCKKBUZHPGK-ZCFIWIBFSA-N 254.692 3.181 50 1 CGGF Clc1cc2nc(CCCCBr)[nH]c2cn1 586972355 NKYBBKKIRRRLFV-UHFFFAOYSA-N 288.576 3.329 50 1 CGGF CCC=C(c1ccccc1)N(CCOC)C(=O)CCl 1857742505 HYRFWEMJNBGRIP-UHFFFAOYSA-N 281.783 3.151 50 1 CGGF CC1=CC2=CC(C)(C)C[C@]2(OO)[C@H](C)CC[C@H]1O 2356437831 JXXGQPLNOPZHMH-KYOSRNDESA-N 252.354 3.308 50 1 CGGF CO[C@@H]1[C@@H]2O[C@H](OO)C=C2C(C)(C)[C@@H]2CCC(C)=C[C@H]12 2356626366 VGOYYWQGZPKAAU-RFBJSHEKSA-N 280.364 3.155 50 1 CGGF COc1ccc([C@H](CN(C)C)[Si]2(O)CCCCC2)cc1 170075423 KIXBFSFRCBHKLN-INIZCTEOSA-N 293.483 3.001 50 1 CGGF C[N+](CCCl)(CCCl)Cc1ccc([N+](=O)[O-])s1 43361928 YWVYHGFPMONLMH-UHFFFAOYSA-N 298.215 3.081 50 1 CGGF Cc1ccc([C@@H](C)C2C3(C)OOC2(C)OO3)cc1 95552374 ARJZJRBZNXLCBX-GOHLOCJQSA-N 250.294 3.071 50 1 CGGF Cc1cc2nc(/C=C\CBr)[nH]c2cc1F 586973603 MECJXVFCGGBIIP-IHWYPQMZSA-N 269.117 3.419 50 1 CGGF C=C(C(=O)OC)[C@H]1CC[C@@]2(C)CCCC(C=O)=C2C1 2356331911 VPIKHSFMIHXEBJ-BLLLJJGKSA-N 262.349 3.201 50 1 CGGF CC(C)(F)[C@@H](Br)c1nc2ccc(O)cc2[nH]1 587087856 XCTOCCMJBIBMEK-VIFPVBQESA-N 287.132 3.453 50 1 CGGF CC(C)=C1C[C@]2(C)C(=CC1=O)[C@H](Cl)[C@H](O)C[C@@H]2C 2356581782 KRUYTVXXGLLMSF-FLCCKXIQSA-N 268.784 3.236 50 1 CGGF C=C(c1ccccc1)[C@@H]1CCOC2(CCC(=O)CC2)OO1 43620435 LCAZQFNVTDZTJD-INIZCTEOSA-N 288.343 3.276 50 1 CGGF N#C/C(C(=O)Nc1cccc(Cl)c1)=C(/O)C1CC1 100784973 OJRFPORYAIOGQV-QXMHVHEDSA-N 262.696 3.024 50 1 CGGF CCCCCC[C@H](C)OC(=O)[C@@H](Br)C(C)=O 118202618 VRAOLSZYHSGPPO-ONGXEEELSA-N 293.201 3.241 50 1 CGGF COc1ccc(OCc2ccccc2)c(/C=C/C=O)c1 40762532 GAHXOMKWSBLSAE-VMPITWQZSA-N 268.312 3.486 50 1 CGGF COc1cncc2nc(/C(C#N)=C/c3ccccc3)[nH]c12 587188482 RMJUZKQJJGLBIK-KPKJPENVSA-N 276.299 3.031 50 1 CGGF O=C(CCl)n1c(-c2ccco2)nc2ccccc21 1857636148 WBUVLEJREZNDQN-UHFFFAOYSA-N 260.680 3.175 50 1 CGGF C[C@@H]1C2(C)OOC1(C13CC4CC(CC(C4)C1)C3)OO2 473091444 YALNUHFAUNSRSS-FCKCIMNISA-N 266.337 3.175 50 1 CGGF CC1=NC(C)=C(C#N)[C@H](c2cccc(F)c2F)[C@H]1C#N 169723385 AHRSAJPRCMEHRW-SMDDNHRTSA-N 271.270 3.460 50 1 CGGF CCOP(=O)(C[C@@H](CC)N=C=S)OCC 72106511 QUIABGAWVGUHOZ-SECBINFHSA-N 251.288 3.134 50 1 CGGF Cc1c(CNC(=O)CCl)[nH]c2c(C)cc(Cl)cc12 587623771 PAKWWCPXLCRHNE-UHFFFAOYSA-N 285.174 3.293 50 1 CGGF CCCCCCCSC[C@H](NC(C)=O)C(=O)CCl 38154218 DGTLBGJBQSQBCP-LBPRGKRZSA-N 293.860 3.003 50 1 CGGF C[C@H](Br)c1nc2ccc(Cl)nc2[nH]1 587008942 PJCAMIYOSQUVFY-BYPYZUCNSA-N 260.522 3.067 50 1 CGGF CCCC[C@H](O)c1cccc(NC(=O)CCCl)c1 53314026 NTWYKSXVLMLEHK-ZDUSSCGKSA-N 269.772 3.478 50 1 CGGF CC(=O)c1ccc2nc([C@@H](Cl)CCl)[nH]c2c1 587007326 CBJHDNZCFPQJQD-QMMMGPOBSA-N 257.120 3.284 50 1 CGGF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@H](CCCCCCl)N1 962904151 NSJGKDTUAZAOIT-OLZOCXBDSA-N 299.773 3.265 50 1 CGGF CC1=CO[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]42OO3 169364204 UKXCIQFCSITOCY-UDYJRIAMSA-N 266.337 3.136 50 1 CGGF N#C/C(=C\Nc1ccc2[nH]c3ccccc3c2c1)C(=O)O 198253556 MUMIKJULUXWCRF-MDZDMXLPSA-N 277.283 3.225 50 1 CGGF in-vivo O=C(N/N=C/C1CCCCC1)c1nc2ccccc2o1 1911579120 IBEWXGNMEWLPHS-MHWRWJLKSA-N 271.320 3.124 50 1 CGGF CCCCCCCCCSC(=S)NNC(C)=O 43411665 OZCCGIKSBYMMEW-UHFFFAOYSA-N 276.471 3.396 50 1 CGGF CSC(=Nc1ccccc1)C(C#N)=C(N)SC 2356866586 WGAIGRCUAQCRLC-UHFFFAOYSA-N 263.391 3.136 50 1 CGGF COP(=O)(CCCCCCN=C=S)OC 1772609466 NYWLSXRUHIMMIV-UHFFFAOYSA-N 251.288 3.136 50 1 CGGF CCN(CC)CCOC(=O)[C@@](C)(CCl)c1ccccc1 27435698 HNFMQMJPKNONAU-INIZCTEOSA-N 297.826 3.068 50 1 CGGF Cc1[nH]c2c(C(=O)O)cccc2c1CCBr 587637238 YJAXDEJZTOEART-UHFFFAOYSA-N 282.137 3.112 50 1 CGGF ClC[C@H](Cl)c1nc2cncc(Cl)c2[nH]1 587008446 OVFBDQPPPLZIRY-BYPYZUCNSA-N 250.516 3.130 50 1 CGGF C=C(CC(=O)c1coc2cc(C#N)ccc12)C(=O)Cl 587279200 OYBBJZHECHLKLN-UHFFFAOYSA-N 273.675 3.199 50 1 CGGF C/C(=N\NC(=O)c1ccccc1)c1cc2ccccc2[nH]1 95558964 BINDYCLSNOKXRI-XDHOZWIPSA-N 277.327 3.322 50 1 CGGF C[C@@H]1CC(=O)C=C2CC[C@H]([C@@](C)(O)CCl)C[C@@]21C 2356553761 KPYHTUZITCDCFL-BQPHKTIFSA-N 270.800 3.318 50 1 CGGF COc1cc2c3c(c1)O[C@@]1(CCCC[C@H]1Cl)[C@@H](C2)C3=O 587418100 ANYLKDGEVBIZJD-GHJWDPDVSA-N 292.762 3.363 50 1 CGGF C/C=C(/CO)C(=O)OC/C=C/SS[C@H](C)CC 221088134 CYUXEJLWTIKXHP-MEKPAMQLSA-N 276.423 3.162 50 1 CGGF O=C1c2cc(Cl)ccc2OCC[C@@H]1Br 103201562 AFMNGGVLBIRJPP-QMMMGPOBSA-N 275.529 3.069 50 1 CGGF CCCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1 136808785 UUQDIYZHZCSSEE-UHFFFAOYSA-N 251.282 3.471 50 1 CGGF C[C@@H]1CC(=O)C=C2CC[C@H]([C@@](C)(O)CCl)C[C@]21C 2356553764 KPYHTUZITCDCFL-WCUVEOEZSA-N 270.800 3.318 50 1 CGGF S=C=Nc1cccc2[nH]c(-c3ccccn3)nc12 169321310 HQJQMYPDGRMEAC-UHFFFAOYSA-N 252.302 3.359 50 1 CGGF N#C/C(=C\c1ccccc1)c1nc2ccc(C#N)cc2[nH]1 587189216 ZVXXGMYAVPWMOQ-RIYZIHGNSA-N 270.295 3.499 50 1 CGGF N#C/C(C(=O)Nc1cccc(C(F)(F)F)c1)=C(/O)C1CC1 100785233 WOYOWGWJSGIZID-QXMHVHEDSA-N 296.248 3.390 50 1 CGGF COC(C)(C)[C@@H](Br)c1nc2ccc(O)cc2[nH]1 586971073 LRFCLADPMJNMLJ-JTQLQIEISA-N 299.168 3.130 50 1 CGGF CC1(C)[C@H]2CCC(=CC=O)C[C@]2(C)C[C@H](O)[C@@H]1Cl 2356626747 HWPNRSYBULQAQB-SFDCQRBFSA-N 270.800 3.316 50 1 CGGF CCOc1ccccc1O[C@@H](c1ccccc1)[C@H](O)C#N 2356752478 STKARNZFYWDLSB-PBHICJAKSA-N 283.327 3.090 50 1 CGGF CC(C)[C@H]1CC[C@]2(C)C[C@@H]3OO[C@]12C=C[C@@]3(C)OO 137458950 JLNUZDBKJOMHRX-XLWJZTARSA-N 268.353 3.336 50 1 CGGF C1CCN(CCSSCCN2CCCCC2)CC1 5133802 AYZBOBLAWWLWQI-UHFFFAOYSA-N 288.526 3.340 50 1 CGGF C[C@@H]1CCCC[C@H]1c1cc(C(=O)NN)nc2ccccc12 299861495 IHKFNHOJSOAMSI-VXGBXAGGSA-N 283.375 3.132 50 1 CGGF Cc1ccnc2[nH]c([C@@H](Br)C(C)(C)F)nc12 587086538 CQRIUPXTDXNNKM-MRVPVSSYSA-N 286.148 3.450 50 1 CGGF CC1(C)C[N@@]1P(=O)(NC1CCCCC1)[N@]1CC1(C)C 1857536040 RYPGELGSZBUQOM-IAGOWNOFSA-N 285.372 3.205 50 1 CGGF Cc1ccc([C@H](Br)CN(C)C)cc1C 169345669 RKOAGISLQXPRPE-GFCCVEGCSA-N 256.187 3.301 50 1 CGGF Cc1cccc(C)c1Oc1ccc(/C=N/NC(N)=O)cc1 27314843 GCTJWUKUWYFWCH-VCHYOVAHSA-N 283.331 3.098 50 1 CGGF C[C@@]12CCC[C@H](C1)[C@](C)(CI)O2 100920851 XCGBVMYIVBKEPI-BBBLOLIVSA-N 280.149 3.159 50 1 CGGF Cc1cnc2[nH]c(/C(C#N)=C/c3ccccc3)nc2c1 587186950 BFTXULVAKFJGNY-MDWZMJQESA-N 260.300 3.331 50 1 CGGF Fc1ccc2nc(NCCBr)sc2c1 98083453 CENFOWJCMLNFEU-UHFFFAOYSA-N 275.146 3.242 50 1 CGGF C=C(C)C[C@@]1(O[Si](C)(C)C)C(=O)C(OCC)=C1OCC 195517545 NPXKTDFAPVSBIK-OAHLLOKOSA-N 298.455 3.410 50 1 CGGF O=C(Cl)Cc1ccc2c(c1)C(=O)c1sccc1CO2 27209719 WXORJWLPRUKEEY-UHFFFAOYSA-N 292.743 3.179 50 1 CGGF COC(=O)/C(=C/c1ccccc1Cl)CSC#N 95562442 VVAFPRBYQSUQES-UXBLZVDNSA-N 267.737 3.111 50 1 CGGF CC(C)C1=C2[C@H](O)[C@](C)(O)CC[C@H]2[C@](C)(N=C=S)CC1 40878497 KMKVJTMIHMKYBS-SLBVQIDZSA-N 295.448 3.116 50 1 CGGF C=CCCCCC[C@@H](Cl)[C@H](O)CC#CC#C[C@H](O)C=C 13386144 MORPELUWUARUFU-BRWVUGGUSA-N 294.822 3.035 50 1 CGGF in-man CC1(C)OO[C@@]2(CI)CCC[C@H]1C2 100920422 VDSFLTPPDLYDCA-WPRPVWTQSA-N 296.148 3.091 50 1 CGGF CO[C@@H]1O[C@]2(C)CC[C@H]3CC(C)(C)CC[C@]31OO2 100863944 CSJORYNQUHVXHL-XCCSTKFXSA-N 256.342 3.012 50 1 CGGF CC=C(CO)C(=O)OCC=CSS[C@H](C)CC 2356535979 CYUXEJLWTIKXHP-SNVBAGLBSA-N 276.423 3.162 50 1 CGGF C=C[C@](C)(O)CC=C[C@@](C)(CC(=O)C=C(C)C)OO 2356652279 VKKZYMLSLLRWLW-GJZGRUSLSA-N 268.353 3.043 50 1 CGGF N#CC1=C(N)Oc2ccccc2[C@H]1CC(=O)c1ccccc1 1857655043 IOPNHJNVGRHMKY-CQSZACIVSA-N 290.322 3.129 50 1 CGGF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCCCl)O2 587373528 DTPFOCKALRXSDI-AWEZNQCLSA-N 267.756 3.320 50 1 CGGF Cc1ncc([N+](=O)[O-])n1CCCCCCBr 1857758480 HZSUYBJEZLRYSF-UHFFFAOYSA-N 290.161 3.055 50 1 CGGF COc1cc(OC)cc(/C(C#N)=C/c2ccccn2)c1 1772632495 QGMXNACEZCOXJN-NTUHNPAUSA-N 266.300 3.163 50 1 CGGF Oc1ccc(C(N=C=S)c2ccc(O)cc2)cc1 299858895 FBVPHFUFTOABNP-UHFFFAOYSA-N 257.314 3.290 50 1 CGGF CC(C)[C@@H]1CC[C@](C)(NC=O)[C@@H]2CC[C@](C)(OO)C=C12 2356792329 JPEINUQOKMQTFW-UKMLZYKCSA-N 281.396 3.142 50 1 CGGF C=C1CC[C@@]2(O)C[C@@]3(CC[C@@H](C(C)C)[C@H]3C1)OO2 2356792561 JVVCXQKBJAJHAQ-YJNKXOJESA-N 252.354 3.188 50 1 CGGF O=C(Cc1ccccc1)NNc1c(Cl)cncc1Cl 84654743 QNZYKKYBDZYJNS-UHFFFAOYSA-N 296.157 3.074 50 1 CGGF CCOC(=O)c1c(CCl)[nH]c2cccc(F)c12 587632277 ISUAPYFYGLKKNI-UHFFFAOYSA-N 255.676 3.223 50 1 CGGF N#Cc1ccc2c(C(=O)CCC(=O)Cl)coc2c1 587279494 WMDRQHKGDZFRFV-UHFFFAOYSA-N 261.664 3.033 50 1 CGGF COc1ccc(C(CC2CCCCC2)=NNC(N)=O)cc1 2356322443 FXRZTCOKHDEQMN-UHFFFAOYSA-N 289.379 3.038 50 1 CGGF O=[N+]([O-])c1cc2nc([C@@H](Cl)CCl)[nH]c2cc1F 587007257 BQUZPHRYXYMIMQ-BYPYZUCNSA-N 278.070 3.129 50 1 CGGF C[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@H]1C)[C@]42OO3 299845949 LTMHSJHRBJNEIZ-LIWAFVRJSA-N 282.380 3.257 50 1 CGGF C=C1CC/C=C(/COOC(C)=O)C(=O)C[C@@H]2[C@H]1CC2(C)C 238773535 FIBPQNOQMZOJAV-VBUBNCOFSA-N 292.375 3.379 50 1 CGGF CC(C)[C@H]1CC(C)(C)C[C@]23O[C@]12C[C@H](Cl)[C@@]3(C)O 13385982 ZXBCSPUAOMNNKQ-OBRUSBNWSA-N 272.816 3.349 50 1 CGGF C[C@@]1(C(=O)NNc2cccc3ncccc23)C[C@H]2C=C[C@H]1C2 101627076 DOARLLFDFTYHPZ-ZJNRKIDTSA-N 293.370 3.280 50 1 CGGF CCC[C@@]12CC[C@H]3[C@H](C)CC[C@H]4CCO[C@H](O1)[C@]43OO2 43379824 ZZEYTEJYRRBBLR-JOWFITRBSA-N 282.380 3.403 50 1 CGGF O=C1C=C(OCCCl)C[C@@H](c2cccc(Cl)c2)O1 95599972 CXQQCOIIEXIVFD-LBPRGKRZSA-N 287.142 3.467 50 3 CGGF Fc1cc2nc(/C=C\CBr)[nH]c2c(F)c1F 586973134 FUIGUUQIMVCJLZ-UPHRSURJSA-N 291.070 3.388 50 1 CGGF Cc1ccc(/C=C(/C#N)c2nc3c(Cl)ncnc3[nH]2)cc1 587187841 LLNAKULQABUUAY-WDZFZDKYSA-N 295.733 3.379 50 1 CGGF CC(C)(C)NCCSSCCNC(C)(C)C 40639698 CDKLYVFZZNJUFV-UHFFFAOYSA-N 264.504 3.144 50 1 CGGF O=C(O)CC1CCC2(CC1)COC1(CCCCC1)OO2 72117164 ZTWWGFYORUTLIR-UHFFFAOYSA-N 284.352 3.029 50 1 CGGF N#Cc1cccc2nc(CCCCBr)[nH]c12 586972162 IZHJFOJQFCQTTA-UHFFFAOYSA-N 278.153 3.152 50 1 CGGF S=C=Nc1ccc2[nH]c(-c3ccncc3)nc2c1 169321294 FMCBERIZQHERFB-UHFFFAOYSA-N 252.302 3.359 50 1 CGGF CO[C@@H]1CCC[C@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3 621477626 DWYLZLUEDHOJRH-PKFJDQCHSA-N 294.391 3.403 50 1 CGGF ClC[C@H](Cl)c1nc2ccnc(Cl)c2[nH]1 587009077 UVPIBPSSJIGTGB-BYPYZUCNSA-N 250.516 3.130 50 1 CGGF CC(C)(C)[Si](C)(C)O[C@@H]1CCCO[C@@H]1/C=C/C(=O)O 195149068 FOSQGROJVJMHLE-SVKHLYGUSA-N 286.444 3.197 50 1 CGGF CO[P@@](=O)(CCCCN=C=S)c1ccccc1 1857650276 HKZITKHPLBCGSA-INIZCTEOSA-N 269.306 3.119 50 1 CGGF CCCCCC=CC[C@]1(OC(C)=O)C=CC(=O)C1=CC=O 2356588036 GQEGEZIKMJIZMB-KRWDZBQOSA-N 290.359 3.079 50 1 CGGF Cc1cccc(Oc2ccc(/C=N/NC(N)=O)cc2)c1C 27312562 XYZOAVPBMOMPMV-VCHYOVAHSA-N 283.331 3.098 50 1 CGGF C=C1CCC=C(COOC(C)=O)C(=O)C[C@H]2[C@H]1CC2(C)C 2356675050 FIBPQNOQMZOJAV-GJZGRUSLSA-N 292.375 3.379 50 1 CGGF CC(=O)N/N=C/c1c(-c2ccc(O)cc2)[nH]c2ccccc12 82152711 PWXPKFLWSLDPRA-VCHYOVAHSA-N 293.326 3.011 50 1 CGGF Cn1cc(C(=O)/C(C#N)=C/c2ccccn2)c2ccccc21 169312577 DMCSGDHSNZNSCY-JLHYYAGUSA-N 287.322 3.363 50 1 CGGF C=C1CC[C@@]2(O)C[C@@]3(CC[C@@H](C(C)C)[C@@H]3C1)OO2 2356792560 JVVCXQKBJAJHAQ-XQLPTFJDSA-N 252.354 3.188 50 1 CGGF CC1=NC(C)=C(C#N)[C@@H](c2cccc(F)c2F)[C@H]1C#N 169723384 AHRSAJPRCMEHRW-FZMZJTMJSA-N 271.270 3.460 50 1 CGGF Cc1ccc(/C=C(\C#N)c2nc3cnc(Cl)[nH]c-3n2)cc1 587187348 FGDFWNAGICCZND-IZZDOVSWSA-N 295.733 3.331 50 1 CGGF O=CN/N=C/c1ccc(Sc2ccc(F)cc2)cc1 27312639 CDXUJBOTPYEPLL-CXUHLZMHSA-N 274.320 3.057 50 1 CGGF COc1cc(OC)c2[nH]c([C@H](Cl)CCl)nc2c1 587009159 XVAGPIJJERXLCA-SSDOTTSWSA-N 275.135 3.099 50 1 CGGF O=[S@](CCCCCN=C=S)Cc1ccccc1 96922908 MHXHWPLETMMTGN-KRWDZBQOSA-N 267.419 3.208 50 1 CGGF C[C@@H]1CCCN(C/C(O)=C(\C#N)c2nc3ccccc3[nH]2)C1 101670977 UWUUJDPSCIJHMU-CZWGUHTPSA-N 296.374 3.087 50 1 CGGF O=C(OC1CSSC1)c1ccc(Cl)cc1 96911524 PPKYWMVOISAJRI-UHFFFAOYSA-N 260.767 3.260 50 1 CGGF COc1ccc2nc(/C(C#N)=C\c3ccc(C)cc3)[nH]c2n1 587188902 YFHPYGLILBOFAI-LCYFTJDESA-N 290.326 3.339 50 1 CGGF CC(=O)[C@H](Br)c1cc2c3c(cccc3n1)CC2 587208307 PCNOUVQJNZLBOJ-AWEZNQCLSA-N 290.160 3.358 50 1 CGGF Cc1ccc(C(=O)CCCSSCCN(C)C)cn1 618017255 JLORWTYRMMCHHZ-UHFFFAOYSA-N 298.477 3.296 50 1 CGGF O=C(NN/C=C1\C=Nc2ccccc21)c1cccc(Cl)c1 13126680 ITBWLTIERDVVAE-ZRDIBKRKSA-N 297.745 3.331 50 3 CGGF N#C/C(=C\c1ccccc1)c1nc2cc(F)cnc2[nH]1 587188347 QIZGCGNJOGRWMD-IZZDOVSWSA-N 264.263 3.161 50 1 CGGF C[C@@]1(O)CC[C@H]2C[C@@H]1OO[C@@]2(C)CSc1ccccc1 43439866 OIGMNEOVBPJXIP-HNKHHVNMSA-N 294.416 3.419 50 1 CGGF C=C(C(=O)O)[C@@H]1CC[C@@]2(C)CCCC(=C)[C@@]2(OO)C1 238740949 HOXAMQHCKRIXPD-YUELXQCFSA-N 266.337 3.402 50 1 CGGF COCCN(C(=O)CCl)C(=C(C)C)c1cccs1 103191864 MLNRMZLTEYBFKQ-UHFFFAOYSA-N 287.812 3.213 50 1 CGGF CC(C)(C)[Si](C)(C)O[C@H]1CCCO[C@@H]1CC=O 195113038 KEDSOWFTPGPNQH-NEPJUHHUSA-N 258.434 3.145 50 1 CGGF N#C/C=C/c1c[nH]c2ncnc(OCc3ccccc3)c12 1772649741 WPLBZSRCAZTCEF-QPJJXVBHSA-N 276.299 3.074 50 1 CGGF CC1(C)[C@H]2CC[C@]1(C)/C(=N\NC(=O)c1ccncc1)C2 5497197 DRRCYXTXGVMYGZ-XKPXMVKTSA-N 271.364 3.014 50 1 CGGF CC(C)c1ccc(N2C[C@H](CCl)OC2=O)cc1 29407479 WGWILOYMSRGNMG-LBPRGKRZSA-N 253.729 3.374 50 1 CGGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc[nH]1)O2 587373771 SHLNVPNOXUDTEQ-HNNXBMFYSA-N 290.750 3.005 50 1 CGGF Cc1ccc2c(c1)N/C(=C(C#N)\C=C1\C=CC(=O)C(O)=C1)N2 38169313 QSIXZQNTUXMBMC-AYWUYTOOSA-N 291.310 3.075 50 3 CGGF C/C(=N/NC(N)=O)c1ccc(Oc2ccc(C)cc2)cc1 27315817 LMCQIDRRTMFQAJ-PDGQHHTCSA-N 283.331 3.180 50 1 CGGF O=C1CC2(CCCCC2)C(=O)[C@@H]1C[C@@H](Cl)CCl 28455868 YKXRHMZLMAFOKP-NXEZZACHSA-N 277.191 3.331 50 1 CGGF Cc1nnc(SSc2ccccc2[N+](=O)[O-])o1 1857638627 ZCILFBXYGHBONR-UHFFFAOYSA-N 269.307 3.086 50 1 CGGF COc1cccc(C=C(C#N)C(=O)c2ccccc2)c1 1857742265 FBPZURQXENQWDD-UHFFFAOYSA-N 263.296 3.485 50 1 CGGF C[C@H]1C/C(=N/NC(=O)c2ccncc2)CC(C)(C)C1 38321175 HVGFMKCAVPPMJU-DUQXYPDUSA-N 259.353 3.014 50 1 CGGF COc1cc2c3c(c1)O[C@](CCl)(C1CCC1)[C@@H](C2)C3=O 587424248 YKYQZGFJVKXFMK-BLLLJJGKSA-N 292.762 3.220 50 1 CGGF COc1cc(OC)c2[nH]c([C@@H](Cl)CCl)nc2c1 587009160 XVAGPIJJERXLCA-ZETCQYMHSA-N 275.135 3.099 50 1 CGGF Clc1ccnc2[nH]c(/C=C/CBr)nc12 586974690 YNTZTSPNXLEBIT-OWOJBTEDSA-N 272.533 3.019 50 1 CGGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](CCl)(COC)N1 962950619 NYQFHYFVSRBNKN-BZNIZROVSA-N 292.810 3.173 50 1 CGGF C=C(C(=O)OC)[C@@H]1CC[C@@]2(C)CCC=C(C=O)[C@H]2C1 2356452913 HQPGFIHOVDBZME-XNRPHZJLSA-N 262.349 3.057 50 1 CGGF CCOC(=O)c1cc([C@H]2OC[C@@H](N=[N+]=[N-])[C@@H]2Cl)oc1C 28895640 LUXISTVYYVEKLC-DVVUODLYSA-N 299.714 3.122 50 1 CGGF CC(C)(C)[Si](C)(C)O[C@@H]1CCO[C@@]1(O)c1ccccn1 195516176 PUSAAHHPPYTCSM-HIFRSBDPSA-N 295.455 3.037 50 1 CGGF CC(C)(C(=O)Cl)C(=O)c1coc2cc(C#N)ccc12 587278820 MCBJWLZXXHSLET-UHFFFAOYSA-N 275.691 3.279 50 1 CGGF Cc1cc2c(c(CO)c1CCCl)CC(C)(C)C2 13386295 YRVKHQPHSAAEOU-UHFFFAOYSA-N 252.785 3.393 50 1 CGGF COc1cc2nc(/C(C#N)=C/c3ccccc3)[nH]c2cn1 587187462 HPUOOZUYMRWVOT-KPKJPENVSA-N 276.299 3.031 50 1 CGGF C/C(=N/NC(=O)c1ccc(O)cc1)c1ccc(Cl)cc1 33390129 QKPRENJIYKUUHR-YVLHZVERSA-N 288.734 3.200 50 1 CGGF Clc1ccnc2[nH]c(CCCCBr)nc12 586972155 IRUCPQPSEGSWHY-UHFFFAOYSA-N 288.576 3.329 50 1 CGGF ClCc1ccccc1Cn1cnc2c(Cl)ncnc21 103286560 CVDHPMAOKRJQPH-UHFFFAOYSA-N 293.157 3.267 50 1 CGGF CCCC[C@]1(OC)OO[C@](C)(CCCC)C[C@@H]1CO 103287396 KQXIDXGZOMPNNZ-KFWWJZLASA-N 274.401 3.429 50 1 CGGF Oc1ccc2c(c1)[C@@]1(CCC[C@@H](Br)C1)NCC2 963350250 ANZGQVXKHMVFCD-RISCZKNCSA-N 296.208 3.071 50 1 CGGF C#CC=CC[C@H](O)[C@H](Cl)CC=CCC(=O)CCC 2356530431 MMIAGHOBPFCKGD-CABCVRRESA-N 268.784 3.240 50 1 CGGF CC(=O)N1C[C@H](CCl)c2c1cc(O)c1ccccc21 26253880 IFNKDBIAQKICQV-JTQLQIEISA-N 275.735 3.234 50 1 CGGF C=C[C@@](C)(O)C/C=C/[C@](C)(CC(=O)C=C(C)C)OO 85873435 VKKZYMLSLLRWLW-VIGJRRFGSA-N 268.353 3.043 50 1 CGGF Cc1cnc(Cl)c2[nH]c([C@H](Cl)CCl)nc12 587008169 LIIBYQATQPKNQJ-RXMQYKEDSA-N 264.543 3.438 50 1 CGGF CCCN(C(=O)N(CCCl)N=O)C1CCCCC1 26403941 GRPNWHXKMUMIQZ-UHFFFAOYSA-N 275.780 3.373 50 1 CGGF CN(C)/C=C(\C#N)c1cc(-c2ccc(Cl)cc2)[nH]n1 96934913 XPAKBGQUORPCMO-PKNBQFBNSA-N 272.739 3.156 50 1 CGGF Cc1c(C)c2c(c(C)c1N)C[C@@](C)(CBr)O2 13652120 INMWNYMWBXAGKL-ZDUSSCGKSA-N 284.197 3.283 50 1 CGGF Fc1c(F)c(F)c2[nH]c(CBr)nc2c1F 586972274 LCZSWTVOEAFGCB-UHFFFAOYSA-N 283.022 3.014 50 1 CGGF Oc1ccc(N(CCCl)CCCl)c(Cl)c1 27556276 AGCSTDKUTGHJST-UHFFFAOYSA-N 268.571 3.330 50 1 CGGF NC(=O)N/N=C\c1ccc(Oc2cccc(Cl)c2)cc1 40802696 FZEYHYCNJFDRDB-MFOYZWKCSA-N 289.722 3.135 50 1 CGGF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2C(Cl)Cl 963607022 ISMKRPIRHFZQLS-JVXZTZIISA-N 290.190 3.083 50 1 CGGF CC1=CO[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@]24OO3 195239596 UKXCIQFCSITOCY-MVVLZTAMSA-N 266.337 3.136 50 1 CGGF CCC[C@]1(CCl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587418115 RVWGSNDKQDBJKP-IAQYHMDHSA-N 280.751 3.220 50 1 CGGF CCN(CC)NC(=O)c1ccc(OCc2ccccc2)cc1 34126462 PIDANLPVQOUJHO-UHFFFAOYSA-N 298.386 3.252 50 1 CGGF Cc1cc(Cl)cc2nc(CBr)[nH]c12 586970835 HSSATDVJAFDYCI-UHFFFAOYSA-N 259.534 3.420 50 1 CGGF Cc1ccc(/C=C(/C#N)c2nc3cc(F)cnc3[nH]2)cc1 587188882 XZLSGGUPOOSKCU-SDQBBNPISA-N 278.290 3.470 50 1 CGGF Cc1ccc(Oc2ccc(/C=N/NC(N)=O)cc2)c(C)c1 27312557 AHPFSUFZKYZEPR-VCHYOVAHSA-N 283.331 3.098 50 1 CGGF C/C(C=O)=C\CC[C@@]1(C)C=Cc2cc(O)ccc2O1 43018234 JMHTYVNKROVRNY-FIWCQECFSA-N 258.317 3.482 50 1 CGGF CC(C)(C)[Si](C)(C)OC/C=C/[C@H]1OCCC[C@@H]1O 195117594 KMXXUFVSYUQNLV-BPDPDCLSSA-N 272.461 3.104 50 1 CGGF CC1=CC2=CC(C)(C)C[C@]2(OO)[C@H](C)CC[C@@H]1O 96911623 JXXGQPLNOPZHMH-ZLDLUXBVSA-N 252.354 3.308 50 1 CGGF O=C(Nc1cccc(-c2ccccn2)c1)C(Cl)Cl 95564215 DNGXVRIFVVOZTG-UHFFFAOYSA-N 281.142 3.491 50 1 CGGF C[C@H](Br)c1nc2cc(C(F)(F)F)cnc2[nH]1 587009005 QYDVSZPQMGDJBI-BYPYZUCNSA-N 294.074 3.433 50 1 CGGF C=C(c1ccccc1)[C@H]1CCOC2(CCC(O)CC2)OO1 43620331 IUGRUMUURNQYBS-AQFXKWCLSA-N 290.359 3.068 50 1 CGGF CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@H](O)C[C@]1(C)CCO 196926019 ARTIHLZNLBBBAE-IPYPFGDCSA-N 288.504 3.310 50 1 CGGF CC(C)(F)[C@@H](Br)c1nc2cnccc2[nH]1 587087871 XOPOFUSTDHRVOX-QMMMGPOBSA-N 272.121 3.142 50 1 CGGF CC1=C(CCCl)C(=O)NC1=C[C@H]1C=CCCC1 2356567424 TYKRNMMBBIULPC-NSHDSACASA-N 251.757 3.302 50 1 CGGF C[C@@H]1C=C[C@H](COC(=O)C23CC4CC(CC(C4)C2)C3)OO1 43552918 FJQWHBHFRYJPBM-QDCKZUPOSA-N 292.375 3.021 50 1 CGGF C#C/C=C/C[C@@H](Cl)[C@H]1CCC(=O)C=C[C@@H](CC)O1 238770849 OQCPIRSOVPXDNM-TZYZQCOMSA-N 266.768 3.256 50 1 CGGF O=C(O)C(Cl)=C(C(Cl)Cl)C(Cl)Cl 1997349 FAVRSRCRWWCBIQ-UHFFFAOYSA-N 272.342 3.171 50 1 CGGF C=C(C(=O)O)[C@@H]1CC[C@@]2(C)CCCC(=C)[C@]2(OO)C1 2356521665 HOXAMQHCKRIXPD-BPLDGKMQSA-N 266.337 3.402 50 1 CGGF COc1cc2c3c(c1)O[C@](C)(C(Cl)Cl)[C@@H](C2)C3=O 587417364 LXPCPPNZMQAXDH-SDBXPKJASA-N 287.142 3.005 50 1 CGGF O=C(NNc1c(Cl)cncc1Cl)[C@H]1C[C@H]2C=C[C@H]1C2 102987900 OIQIOAQFPYPNCP-CIUDSAMLSA-N 298.173 3.044 50 1 CGGF CC[C@@H]1C[C@]2(CC)OC(=O)[C@]3(CC)OO[C@H](CC)[C@@H]1[C@@H]23 2356642336 DDIVIPPIFILELB-DTHCGKTHSA-N 282.380 3.244 50 1 CGGF Cc1ccc(NC(=O)/C(C#N)=C(\O)C2CC2)cc1Cl 39006528 VYTUYOJUJYQVQO-QBFSEMIESA-N 276.723 3.333 50 1 CGGF O=C1Cc2cc([N+](=O)[O-])c(C3CCCCC3)cc2O1 38153738 MZDQOJYRAJJUNE-UHFFFAOYSA-N 261.277 3.104 50 1 CGGF CC(C)(C)c1ccc2nc(CBr)[nH]c2n1 586971953 AUQORRGWBWLBGB-UHFFFAOYSA-N 268.158 3.150 50 1 CGGF CCCCCCC[C@H](O)CC(=O)NCCCCCl 2356866168 WOAICEGRKLHIAO-ZDUSSCGKSA-N 277.836 3.233 50 1 CGGF CC(C)(F)[C@H](Br)c1nc2cccnc2[nH]1 587086511 BTYXZXHVLFURPE-SSDOTTSWSA-N 272.121 3.142 50 1 CGGF CC[C@H]1CO[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 169339068 FXHWCKGQFFBYHP-PNSMXUMWSA-N 282.380 3.258 50 1 CGGF COCCN(C(=O)CCl)C(=C(C)C)c1ccccc1C 103193375 PTUBQJOLSITYHL-UHFFFAOYSA-N 295.810 3.460 50 1 CGGF CSC(=NNC(=O)CCC1CCCCC1)SC 73197899 YUYGTBFWYUZBEM-UHFFFAOYSA-N 274.455 3.460 50 1 CGGF CC[C@@H](C)SS/C=C\COC(=O)CC(C)(C)O 238744877 JGSOKMZFTIETOS-BJPMOSCESA-N 278.439 3.384 50 1 CGGF Fc1cc2nc(/C=C/CBr)[nH]c2cc1F 586973718 NCYCOGKEHXJOBD-OWOJBTEDSA-N 273.080 3.249 50 1 CGGF C=CCSSC=CC[S@](=S)CC=C 2356413211 RFNJCYAIPUABMW-CYBMUJFWSA-N 250.479 3.334 50 1 CGGF COc1cc2nc([C@H](C)Br)[nH]c2cc1OC 587007624 BUCXLZJUQKREKH-LURJTMIESA-N 285.141 3.036 50 1 CGGF O=C(CCl)N[C@H]1Cc2ccccc2[C@H](c2ccccc2)C1 14091 VKBMUJCDAZKJDY-RDJZCZTQSA-N 299.801 3.488 50 1 CGGF C=C1C[C@](c2ccccc2)([C@@H](C)Br)OC1=O 1911583496 GWSCLOQKUSZCAL-ZWNOBZJWSA-N 281.149 3.168 50 1 CGGF FC1(F)Oc2cc3nc([C@@H](Cl)CCl)[nH]c3cc2O1 587007594 GPTPZHAKVPMOHS-BYPYZUCNSA-N 295.072 3.403 50 1 CGGF C[C@H](Cl)C(=O)c1coc2cc([N+](=O)[O-])ccc12 587280236 PGGCHQRTALJIRS-LURJTMIESA-N 253.641 3.151 50 1 CGGF CCCCCCC[C@@H](O)CC(=O)NCCCCCl 2356866167 WOAICEGRKLHIAO-CYBMUJFWSA-N 277.836 3.233 50 1 CGGF CC(C)Cc1ccc(NC(=O)NCCCl)cc1 27747726 PFWKPTBBBPZBSW-UHFFFAOYSA-N 254.761 3.245 50 1 CGGF CC(C)(C)[Si](C)(C)O[C@H]1CCO[C@]1(O)c1ccccn1 195516181 PUSAAHHPPYTCSM-DZGCQCFKSA-N 295.455 3.037 50 1 CGGF Cc1ccc(/C=C(\C#N)c2nc3c(Cl)ncnc3[nH]2)cc1 587187839 LLNAKULQABUUAY-IZZDOVSWSA-N 295.733 3.379 50 1 CGGF Fc1cc(F)c2[nH]c([C@H](Cl)CCl)nc2c1 587007573 GAVHPCLFKBBJGA-RXMQYKEDSA-N 251.063 3.360 50 1 CGGF C=C1CC[C@H]2O[C@]2(C)CC[C@@H]2[C@@H]([C@H]1OO)C2(C)C 136806388 GATBZZIYPNKFMJ-DGMCESFYSA-N 252.354 3.405 50 1 CGGF Cc1cc(N)c2c(c1)C(=O)C[C@@H](C(C)(C)CCl)O2 587372533 MIQAJZNMZVOMKE-LBPRGKRZSA-N 267.756 3.176 50 1 CGGF C/C(C=O)=C\CC[C@]1(C)C=Cc2cc(O)ccc2O1 43018231 JMHTYVNKROVRNY-OOQVMBGTSA-N 258.317 3.482 50 1 CGGF C[C@@]12CCO[C@@H]1OOC1(C2)C2CC3CC(C2)CC1C3 653767973 QBPOVQCLQBRICW-JMZCLIQJSA-N 264.365 3.286 50 1 CGGF COc1cc2c3c(c1)O[C@H](C(C)(C)CCl)[C@@H](C2)C3=O 587421929 OKGIJMDNHJVGOH-HZMBPMFUSA-N 280.751 3.076 50 1 CGGF ClC[C@@H](Cl)c1nc2cncc(Br)c2[nH]1 587008360 OCWLWDKCWJCGQX-RXMQYKEDSA-N 294.967 3.239 50 1 CGGF N#C/C(=C/c1ccccc1)c1nc2cccc(C#N)c2[nH]1 587187069 CPOZVBXSWLXEMI-ZROIWOOFSA-N 270.295 3.499 50 1 CGGF Cc1cnc(Cl)c2[nH]c([C@@H](Cl)CCl)nc12 587008170 LIIBYQATQPKNQJ-YFKPBYRVSA-N 264.543 3.438 50 1 CGGF CC(=O)O[C@@H]1OC=C[C@]12CC1=C[C@@H](OO)CC[C@H]1C2(C)C 2356800296 PXCWZNWKOPOIHV-FQLMCAECSA-N 294.347 3.030 50 1 CGGF CCOC(=O)[C@@H](Cl)c1[nH]c2cc([N+](=O)[O-])ccc2c1C 587643270 CKDDVTORFGPKHM-NSHDSACASA-N 296.710 3.228 50 1 CGGF Cc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2)c(O)c1 98085106 AHGBFJDJMFBLQZ-RQZCQDPDSA-N 288.734 3.118 50 1 CGGF COc1nccc2nc(/C(C#N)=C/c3ccccc3)[nH]c12 587187048 CMTFZQOKLLAUGY-FMIVXFBMSA-N 276.299 3.031 50 1 CGGF C=CCc1c(CBr)[nH]c2c(C(=O)O)cccc12 587637139 WEOZITRWEIBQFL-UHFFFAOYSA-N 294.148 3.490 50 1 CGGF N[C@H](CCl)c1nc2ccc(SC(F)(F)F)cc2[nH]1 587010144 GXVSKJYWTGQWFE-ZCFIWIBFSA-N 295.717 3.413 50 1 CGGF C[C@@H]1CC(=O)C=C2CC[C@H]([C@](C)(O)CCl)C[C@@]21C 2356553762 KPYHTUZITCDCFL-DZGBDDFRSA-N 270.800 3.318 50 1 CGGF C[C@H](Br)C(=O)c1coc2cc(C#N)ccc12 587278835 MHEMRXUULGDQPI-ZETCQYMHSA-N 278.105 3.271 50 1 CGGF O=C1CC2(CCCCC2)C(=O)[C@H]1C[C@H](Cl)CCl 28455870 YKXRHMZLMAFOKP-UWVGGRQHSA-N 277.191 3.331 50 1 CGGF Cc1ccc(/C=N/NC(=O)c2ccc3ccccc3n2)cc1 20926432 RIVJNLZQFOBAAU-XDHOZWIPSA-N 289.338 3.307 50 1 CGGF CCO/C(O)=C(/C=C/C=O)Sc1ccccc1 100661451 DEKPHXXKFKDTHL-KYMGNXKASA-N 250.319 3.297 50 1 CGGF C[C@@H]1C/C(=N/NC(=O)c2ccncc2)CC(C)(C)C1 38321174 HVGFMKCAVPPMJU-XSKXUOKSSA-N 259.353 3.014 50 1 CGGF Cc1cc2[nH]c(CCCCBr)nc2c(C)n1 586972607 XSGDSHZVCOLKOM-UHFFFAOYSA-N 282.185 3.292 50 1 CGGF O=C(CCCSCCCl)Nc1ccc(O)cc1 1559214 SILALMZXDSSWSK-UHFFFAOYSA-N 273.785 3.083 50 1 CGGF C[C@@H]1C=CN(C)c2c1c1c(n2C)CC[C@H]1OCCCl 101614237 ZPCZZAHGSUQXMT-ZYHUDNBSSA-N 280.799 3.335 50 1 CGGF Cc1cc2c(c3c1[C@@H](CCl)OC3=O)CC(C)(C)[C@@H]2O 13386211 VHKCWJAOPJXMDF-ZWNOBZJWSA-N 280.751 3.061 50 1 CGGF CC(C)CN(NC(=O)c1ccccc1)C(=O)c1ccccc1 103186065 QMTKSVAVRGIHOB-UHFFFAOYSA-N 296.370 3.130 50 1 CGGF COc1cc2c3c(c1)O[C@](CCl)(C(C)C)[C@@H](C2)C3=O 587417731 PGQKACWOKGUUHR-XHDPSFHLSA-N 280.751 3.076 50 1 CGGF C=C1C=C[C@H]([C@H](C)CC=CC(C)(C)OO)C[C@@H]1O 2356425603 OZVHKBNOLDNDLO-XBFCOCLRSA-N 252.354 3.330 50 1 CGGF N#C/C(C(=O)Nc1ccc(-c2ncco2)cc1)=C(/O)C1CC1 39159528 GHOLEOLKSUAVGK-YPKPFQOOSA-N 295.298 3.026 50 1 CGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(CCCl)O2 587370650 AULDWEBDSIHRBY-CYBMUJFWSA-N 288.174 3.149 50 1 CGGF Cc1cnc2[nH]c([C@@H](Br)C(C)(C)F)nc2c1 587086680 GKMWQYXJZNROTQ-MRVPVSSYSA-N 286.148 3.450 50 1 CGGF COC(=O)C(C#N)=C1c2ccccc2Oc2ccccc21 1624723 CFXNTQRVJXOTCW-UHFFFAOYSA-N 277.279 3.291 50 1 CGGF C=C1C[C@](CBr)(c2ccc(C)cc2)OC1=O 1911572094 LJMMJXDIDCNTCL-ZDUSSCGKSA-N 281.149 3.088 50 1 CGGF C=C(CC(=O)Cl)C(=O)c1coc2cc([N+](=O)[O-])ccc12 587279875 ROYBPTGMPFCSPS-UHFFFAOYSA-N 293.662 3.235 50 1 CGGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](CCl)(COC)N1 962950625 NYQFHYFVSRBNKN-ZBEGNZNMSA-N 292.810 3.173 50 1 CGGF O=C(O)CCCCCCC(=O)N/N=C/C1CCCCC1 95809346 DVFMEMVMGKPGJN-FOWTUZBSSA-N 282.384 3.094 50 1 CGGF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2C(Cl)Cl 963607023 ISMKRPIRHFZQLS-KRTXAFLBSA-N 290.190 3.083 50 1 CGGF CC[C@@H]1C[C@@]2(CC)OC(=O)[C@@]3(CC)OO[C@H](CC)[C@@H]1[C@H]32 206017354 DDIVIPPIFILELB-DEEDKQTDSA-N 282.380 3.244 50 1 CGGF CCC=C[C@]1(CC)C[C@@H](CC)[C@@H](CC(=O)OC)OO1 2356382453 BAKJVBVQCDUJOC-UMVBOHGHSA-N 270.369 3.411 50 1 CGGF CC[C@]1(CBr)CC(=O)c2cc(C)cc(N)c2O1 587374644 PJKHMHHCKUAJHA-CYBMUJFWSA-N 298.180 3.086 50 1 CGGF N#C/C(=C\c1ccccc1)c1nc2ccc(CO)cc2[nH]1 587189000 XOKOMILUUHMSOD-RIYZIHGNSA-N 275.311 3.119 50 1 CGGF C=C1CC[C@@H]2C(=C)C(=O)O[C@H]2C=C(C)CC[C@@H]1OO 2356657515 IXRHWRRLTANMPL-RDBSUJKOSA-N 264.321 3.019 50 1 CGGF C[C@@H]1CC[C@@H]2[C@@H](C)CO[C@@H]3OC4(CCCC4)OO[C@@]32C1 43834159 LMWHOMOWYGPPAI-JTTNIQEDSA-N 282.380 3.403 50 1 CGGF CC(=O)C[C@]1(C)[C@@H](C)CC[C@@H](Cl)[C@@]12CCC(=O)O2 140531113 FOARAEKNOSLPCO-FRJFDASCSA-N 272.772 3.085 50 1 CGGF C=C1CC[C@H]2OC[C@@H]2CC[C@@H]2[C@@H]([C@H]1OO)C2(C)C 238754802 GEUBDECVHUNFDD-ZSLBOAEBSA-N 252.354 3.262 50 1 CGGF FC(F)(F)c1ccc2nc(CBr)[nH]c2c1 586972022 CCZTXMDRGNPZNF-UHFFFAOYSA-N 279.059 3.477 50 1 CGGF CC(C)OP(=O)(CCN=C=S)OC(C)C 1772610443 IGJTUHRKEPVGAQ-UHFFFAOYSA-N 251.288 3.132 50 1 CGGF CCCC1=C(C(=O)OC)[C@@H](c2ccccc2)C(C#N)=C(C)N1 58568701 LIWPBFULSCHDMB-INIZCTEOSA-N 296.370 3.398 50 1 CGGF O=S(=O)(Cc1ccccc1)SCc1ccccc1 1621144 LAVBKIWRWNKSGD-UHFFFAOYSA-N 278.398 3.450 50 1 CGGF N#C/C(=C\c1cccs1)n1nc2ccccc2n1 6584421 APYAKRIYBQXUDR-CSKARUKUSA-N 252.302 3.014 50 1 CGGF CC(C)(C)N(C(=O)NCCCl)C1CCCCC1 26401654 KKMCSNXAYANHBX-UHFFFAOYSA-N 260.809 3.368 50 1 CGGF CC(C)c1csc(C(=O)N/N=C/c2ccccc2)n1 45254197 WPZMBEWWJWVEQJ-OVCLIPMQSA-N 273.361 3.030 50 1 CGGF C=C1C(C)=C(C#N)C(=O)N1c1ccccc1Br 64403848 XQPPZTRDGJHHAD-UHFFFAOYSA-N 289.132 3.149 50 1 CGGF COC(=O)CCCCCCC(=O)NN=C1CCCCCC1 95808857 CCJWXVVCTVBURP-UHFFFAOYSA-N 296.411 3.326 50 1 CGGF COc1ccc(Cl)cc1C#Cc1cn(C)nc1CCl 587909120 JZSRQTZRUGZJOW-UHFFFAOYSA-N 295.169 3.221 50 1 CGGF Cc1cc(F)c2[nH]c(/C=C\CBr)nc2c1 586973176 GDYCXSINKLLPCS-IHWYPQMZSA-N 269.117 3.419 50 1 CGGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CCl)(COC)N1 962950617 NYQFHYFVSRBNKN-BDJLRTHQSA-N 292.810 3.173 50 1 CGGF CC[C@]1(CCCl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587419481 DKXSVPXYIWSHAE-IAQYHMDHSA-N 280.751 3.220 50 1 CGGF CC[C@@]1(CCl)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963634672 LHGQZJIOHCNYOS-BONVTDFDSA-N 283.799 3.082 50 1 CGGF O=C(NCCCl)Nc1ccc2c(c1)CCCCC2 40828888 ZOHDDQYVCVWSGH-UHFFFAOYSA-N 266.772 3.316 50 1 CGGF CC(=O)OC/C1=C/CC/C(C=O)=C/[C@@H]2[C@@H](CC1)C2(C)C 169356720 VGOHBZXHAWVRBT-DPJAUWGISA-N 276.376 3.447 50 1 CGGF CC(=N)/C(C#N)=C(/O)CSc1ccccc1F 101476703 NGUJXAVVPJPITK-YFOFRGDXSA-N 250.298 3.293 50 1 CGGF C=C1CC[C@@H]2OC[C@@H]2CC[C@@H]2[C@H]([C@@H]1OO)C2(C)C 2356549812 GEUBDECVHUNFDD-MEBFFEOJSA-N 252.354 3.262 50 1 CGGF N#C/C(=C\c1ccccc1)c1nc2c(Cl)ncnc2[nH]1 587187382 GGNRUGZKKQQRRF-UXBLZVDNSA-N 281.706 3.070 50 1 CGGF Cc1cccc(C)c1NC(=O)N/N=C/c1ccco1 35940604 DZSJWZIULNOTJC-OQLLNIDSSA-N 257.293 3.052 50 1 CGGF O[C@@H](CCl)CNc1ccc(Cl)cc1Cl 29126272 MYUZVLFJYQPSNW-ZETCQYMHSA-N 254.544 3.005 50 1 CGGF N#CC1=C(/N=C/c2ccccc2O)S[C@H]2CCC[C@@H]12 73198235 KWJJMTHWANHFTJ-MDTICFBFSA-N 270.357 3.462 50 1 CGGF CC(=O)OC[C@]1(C)[C@@H]2/C=C(/C=O)CC/C=C(\C)CC[C@H]21 95591466 RBYAXSDAQKDGTH-AMXQQSCXSA-N 276.376 3.447 50 1 CGGF CC(C)=C1C[C@@]2(C)C(=CC1=O)[C@@H](Cl)[C@H](O)C[C@@H]2C 238788463 KRUYTVXXGLLMSF-PSQHIMEXSA-N 268.784 3.236 50 1 CGGF CC1(C)O[C@@]2(CI)CCC[C@H]1C2 101361037 FPHGIWXRSSQHRJ-WPRPVWTQSA-N 280.149 3.159 50 1 CGGF Fc1cc2nc([C@H](Cl)CCl)[nH]c2c(F)c1F 587009251 YSQMZENEKUXAEY-GSVOUGTGSA-N 269.053 3.499 50 1 CGGF Cc1ccccc1C1OOC(c2ccc(C=O)cc2)OO1 72173102 XZHYEPXYWOSAAF-UHFFFAOYSA-N 286.283 3.415 50 1 CGGF CC1(C)C=C2[C@H](C[C@H]1Br)OC[C@@H]2Cl 85855847 IZRFVDARYRVGND-XHNCKOQMSA-N 265.578 3.112 50 1 CGGF O=C1C=C(OCCCl)C[C@H](c2cccc(Cl)c2)O1 95599973 CXQQCOIIEXIVFD-GFCCVEGCSA-N 287.142 3.467 50 3 CGGF O=P(Nc1cccnc1)(c1ccccc1)c1ccccc1 190571 IJFWOYIPMNUROU-UHFFFAOYSA-N 294.294 3.423 50 1 CGGF CCOC(=O)Cc1c(CCl)nc2cccc3c2c1CC3 587209264 MEHTVBBXKULLBL-UHFFFAOYSA-N 289.762 3.178 50 1 CGGF CC(Nc1ccccn1)=C(C#N)C(=O)c1ccccc1 2356818129 DQRJIOADQFVCGD-UHFFFAOYSA-N 263.300 3.174 50 1 CGGF C=C1C(C)=C(C#N)C(=O)N1c1c(C)cc(C)cc1C 64608171 KKSJYUIWGBBDGC-UHFFFAOYSA-N 252.317 3.312 50 1 CGGF CC[C@@]1(CCCl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587419479 DKXSVPXYIWSHAE-ABAIWWIYSA-N 280.751 3.220 50 1 CGGF CC[C@@H](C)SSC=CCOC(=O)CC(C)(C)O 2356493064 JGSOKMZFTIETOS-SNVBAGLBSA-N 278.439 3.384 50 1 CGGF CN(C)C[C@H](Br)c1ccc(F)c(Cl)c1 38921951 IIKMIRXOQRCUOR-QMMMGPOBSA-N 280.568 3.477 50 1 CGGF BrCc1nc2cnc3ccccc3c2[nH]1 586972287 LJYXKSFFXMFXQC-UHFFFAOYSA-N 262.110 3.006 50 1 CGGF C/C(=C\c1nc2ccc(C(=O)NN)cc2[nH]1)C1CCCCC1 587967242 JDKVIPNMVYSMOF-PKNBQFBNSA-N 298.390 3.150 50 1 CGGF C=CCCCCC[C@H](Cl)[C@@H](O)[C@H](O)C#CC#CCCC 15270155 STCGGZQKYSWART-GVDBMIGSSA-N 296.838 3.259 50 1 CGGF CCCCCCC[C@@H](O)C=CC#CC#CC=CC=O 2356470486 BQSLICDMKBSZHO-QGZVFWFLSA-N 258.361 3.026 50 1 CGGF C=C(C(=O)OC)[C@@H]1CC[C@@]2(C)CCCC(=C)[C@@]2(OO)C1 85849386 XSFRJTINOXLAHU-BMFZPTHFSA-N 280.364 3.491 50 1 CGGF Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCCCCl)O2 587376299 RNRJZPZFXJWWEG-SNVBAGLBSA-N 267.756 3.320 50 1 CGGF O=C(CCl)N[C@@H]1Cc2ccccc2[C@@H](c2ccccc2)C1 3791920 VKBMUJCDAZKJDY-NVXWUHKLSA-N 299.801 3.488 50 1 CGGF O=C1c2cc(CCl)sc2C(=O)c2ccsc21 1635069 XXJGOZZVSHFCRQ-UHFFFAOYSA-N 268.746 3.324 50 1 CGGF C=C1C(=O)O[C@H]2[C@H]1CCC(=C)[C@@H]1C[C@H](Cl)C(=C)[C@H]21 39153306 XVGIEOUYQLZGPH-PEDHHIEDSA-N 264.752 3.234 50 1 CGGF C[C@H]1CCO[C@@H]2O[C@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@]24OO3 43427154 QGTNBZCODYOPJL-MFYZAHMOSA-N 282.380 3.258 50 1 CGGF Cc1c(C(=O)N/N=C\c2ccccc2O)oc2ccccc12 1911570415 DWNDYHLPNZAJSC-ZDLGFXPLSA-N 294.310 3.211 50 1 CGGF Cc1nccc2[nH]c([C@@H](Br)C(C)(C)F)nc12 587086557 CZSMALLZSLUNGI-SECBINFHSA-N 286.148 3.450 50 1 CGGF CCOC(=O)c1ccc2nc([C@H](C)Br)[nH]c2c1 587008993 PZZNYTQROZTFPK-ZETCQYMHSA-N 297.152 3.196 50 1 CGGF CC(C)O[C@@H]1Sc2ccccc2[C@@H](O)[C@H]1Cl 103182659 AAGPWJDBHBNNOU-IJLUTSLNSA-N 258.770 3.184 50 1 CGGF CC(=O)O[C@@H]1CC(C)=CCCC(C=O)=C[C@H]2[C@H]1C2(C)C 2356766317 WDPMIKJGUYMIBS-ARFHVFGLSA-N 276.376 3.446 50 1 CGGF CC[C@H](C)[C@@]1(CCl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587417854 QBNMLXSCCZMPLQ-PXTQAZKISA-N 294.778 3.466 50 1 CGGF Cc1cccc2nc(/C=C\CBr)[nH]c12 586972964 DIJYWPWLXVCWHX-UTCJRWHESA-N 251.127 3.279 50 1 CGGF COc1cc2c3c(c1)O[C@@](CCl)(C(C)(C)C)[C@@H](C2)C3=O 587418176 SIIQXLUYUNFWNC-MEDUHNTESA-N 294.778 3.466 50 1 CGGF COCCCCCc1cccc(NC(=O)NCCCl)c1 28646697 GQURYLJDVHLNAM-UHFFFAOYSA-N 298.814 3.406 50 1 CGGF O=C(N/N=C/c1ccco1)Nc1ccccc1Cl 103193426 YPCNYRCWYAFCLF-RIYZIHGNSA-N 263.684 3.089 50 1 CGGF O=NN(CCCl)C(=O)N(C1CCCCC1)C1CC1 26405062 CFTXJKGROPJCSP-UHFFFAOYSA-N 273.764 3.126 50 1 CGGF CC(C)[C@@H]1CC[C@](C)(N=C=S)[C@@]2(O)CC[C@@](C)(O)C=C12 2356780800 GNODDEQSJFIPCL-DRPJVOAASA-N 295.448 3.116 50 1 CGGF C[C@]12CC[C@@H]3[C@@](C)(OO[C@]3(c3ccc(Cl)cc3)O1)O2 103022774 AZCHERWIRLIVAS-SYQHCUMBSA-N 282.723 3.344 50 1 CGGF CC1=C(OCCCCBr)[C@H](C)SC1=O 28130265 OXXPWKRKAMIIRE-QMMMGPOBSA-N 279.199 3.114 50 1 CGGF CC1(C)CC(=O)C=C2C(=O)O[C@]3(C)CC[C@@]21C[C@@H]3Cl 139077931 OVKSZAXBUNVEJM-NILFDRSVSA-N 282.767 3.005 50 1 CGGF CCCCCCC/C=N/NC(=O)c1ccccc1O 95808637 SNFLSJNWKKYHRX-FOWTUZBSSA-N 262.353 3.468 50 1 CGGF CC12OOC(CCC(=O)O)(c3ccccc31)c1ccccc12 2047785 IOWYALZFEJOVHO-UHFFFAOYSA-N 296.322 3.334 50 1 CGGF in-vivo CC12OOC(C)(OO1)C2C12CC3CC(CC(C3)C1)C2 95554781 XDSSIDDABXBCPI-UHFFFAOYSA-N 266.337 3.175 50 1 CGGF ClC[C@@H](Cl)c1nc2c(Br)ccnc2[nH]1 587009113 VXCUZVGQBWPZMC-RXMQYKEDSA-N 294.967 3.239 50 1 CGGF C[C@]12CCC[C@@H](C1)[C@@](C)(CI)OO2 100923365 FGTDESKKRHEBHD-LPEHRKFASA-N 296.148 3.091 50 1 CGGF CCCCCCCCCC1=C(CCC(=O)O)C(=O)OC1=O 44018359 ZIFGGKAWZJCJSY-UHFFFAOYSA-N 296.363 3.372 50 1 CGGF CCO/C=C(\C#N)C(=O)c1oc2ccccc2c1C 49372247 FHCMBVCEJQGPSR-PKNBQFBNSA-N 255.273 3.368 50 1 CGGF C=C1CC[C@@H]2[C@@H]3[C@@H]1OOC(=O)[C@H](C)[C@@H]3CC[C@H]2C 135814593 POIKAJZKFQOSJH-VUASIYQVSA-N 250.338 3.108 50 1 CGGF CC(=O)O[C@@H]1CC(C)=CCCC(C=O)=C[C@H]2[C@@H]1C2(C)C 2356766319 WDPMIKJGUYMIBS-XHSDSOJGSA-N 276.376 3.446 50 1 CGGF Cc1c(C)c2c(c(C)c1N)C[C@](C)(CBr)O2 13652119 INMWNYMWBXAGKL-CYBMUJFWSA-N 284.197 3.283 50 1 CGGF N#C/C(C(=O)Nc1ccc(Cl)cc1)=C(/O)C1CC1 100785148 JPFLAMGVELJIMD-QXMHVHEDSA-N 262.696 3.024 50 1 CGGF Cc1[nH]c2cccc([N+](=O)[O-])c2c1CCBr 587644159 OLXUECPZPNSWTR-UHFFFAOYSA-N 283.125 3.322 50 1 CGGF ClC[C@]12N[C@H](Cc3ccccc31)c1ccccc12 26013937 UOLSUAISTAABPY-CVEARBPZSA-N 255.748 3.369 50 1 CGGF Fc1cnc(Cl)c2[nH]c(/C=C/CBr)nc12 586972956 DCUPAHWUKASMRP-OWOJBTEDSA-N 290.523 3.159 50 1 CGGF Cc1cc(NC(=O)/C(C#N)=C(\O)C2CC2)ccc1Cl 100785213 SXTQQPDWYZXAQK-QBFSEMIESA-N 276.723 3.333 50 1 CGGF N#C/C(=C\c1ccccc1)c1nc2nc(Cl)c[nH]c-2n1 587188253 ORADZYMYRPATKO-UXBLZVDNSA-N 281.706 3.022 50 1 CGGF CC(C)CCCCN/C=C1/C=C(C=O)c2cccnc2C1=O 101643520 GYIAQYLTCLHQAR-KAMYIIQDSA-N 298.386 3.160 50 1 CGGF CC(C)[C@@H]1CC[C@](C)(NC=O)[C@@H]2CC[C@@](C)(OO)C=C12 2356792330 JPEINUQOKMQTFW-XZDPQHSOSA-N 281.396 3.142 50 1 CGGF N#C/C(=C(/C#N)c1ccc(O)cc1)c1ccc(O)cc1 13470342 YJCOWCCPLIYJBM-FOCLMDBBSA-N 262.268 3.056 50 1 CGGF C[C@@]12CC[C@@H]3[C@@](C)(OO[C@]3(c3ccc(Cl)cc3)O1)O2 95557388 AZCHERWIRLIVAS-RQJABVFESA-N 282.723 3.344 50 1 CGGF COc1ccc(Cl)cc1C#Cc1cnn(C)c1CCl 587902661 KQEPSXXVLNIGEJ-UHFFFAOYSA-N 295.169 3.221 50 1 CGGF Fc1cccc2nc(CCCCBr)[nH]c12 586972080 FUCNHXAQZXBJEN-UHFFFAOYSA-N 271.133 3.420 50 1 CGGF Cl[C@@H]1CCCCC[C@]12NCCc1nc3ccccn3c12 962988363 NQUBYZKWLKGHHA-CJNGLKHVSA-N 289.810 3.247 50 1 CGGF CC1(C)OO[C@@]2(CI)CCC[C@@H]1C2 43393853 VDSFLTPPDLYDCA-SCZZXKLOSA-N 296.148 3.091 50 1 CGGF CCOC(=O)[C@@H](Cl)c1[nH]c2cc(F)ccc2c1C 587632816 RFQYYNLDTBGCAU-NSHDSACASA-N 269.703 3.458 50 1 CGGF COc1cc2c3c(c1)O[C@@H](CCCCCl)[C@@H](C2)C3=O 587420286 HPVJPOBFHDGKLV-NEPJUHHUSA-N 280.751 3.220 50 1 CGGF ClC[C@@H](Cl)c1nc2cc3c(cc2[nH]1)OCCCO3 587007987 KFUIQMUXBATZJW-SSDOTTSWSA-N 287.146 3.243 50 1 CGGF C=C[C@@H](O)C#CC#CC[C@@H](O)[C@H](Cl)CCCCCCC 85903631 PBNFQEYKZLUTLH-BRWVUGGUSA-N 296.838 3.259 50 1 CGGF in-man Cc1ccc([C@H](C)C2C3(C)OOC2(C)OO3)cc1 95552373 ARJZJRBZNXLCBX-ZPQSCOJMSA-N 250.294 3.071 50 1 CGGF C[C@@H](Br)C(=O)c1coc2cc([N+](=O)[O-])ccc12 587279363 GZKWQECNXLYQCO-ZCFIWIBFSA-N 298.092 3.307 50 1 CGGF C/C=C(\CO)C(=O)OC/C=C/SS[C@H](C)CC 14593114 CYUXEJLWTIKXHP-INKPCWPHSA-N 276.423 3.162 50 1 CGGF C#CC=CC[C@@H](O)[C@H](Cl)CC=CCC(=O)CCC 2356530433 MMIAGHOBPFCKGD-HUUCEWRRSA-N 268.784 3.240 50 1 CGGF CC(=O)O[C@@H]1OC=C[C@]12CC1=C[C@H](OO)CC[C@H]1C2(C)C 2356800298 PXCWZNWKOPOIHV-NYTXWWLZSA-N 294.347 3.030 50 1 CGGF CC1=C2C[C@@]3(C)[C@@H](CCC[C@H]3C)C[C@]2(O)OOC1 2356759571 AGFJUBWRTFBUAS-OSRDXIQISA-N 252.354 3.190 50 1 CGGF CC(=O)O[C@@H]1CC(C)=CCCC(C=O)=C[C@@H]2[C@@H]1C2(C)C 2356766318 WDPMIKJGUYMIBS-OAGGEKHMSA-N 276.376 3.446 50 1 CGGF O[C@H](CCl)CNc1c(Cl)cccc1Cl 29126683 MOEFZLYQNOJNGF-ZCFIWIBFSA-N 254.544 3.005 50 1 CGGF CC=C(C=O)[C@@H](CC)CC(=O)OCCc1ccc(O)cc1 2356391665 XWGCOCZPWAQUAS-AWEZNQCLSA-N 290.359 3.039 50 1 CGGF CC1(C)[C@H]2C=C(COO)CC[C@@H]3O[C@@]3(C)CC[C@H]21 2356615139 WMKOXLOLBDIFPW-OSFYFWSMSA-N 252.354 3.406 50 1 CGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(C1CCC1)O2 587370607 ANOHMWPHIBVEQA-OAHLLOKOSA-N 279.767 3.320 50 1 CGGF CCc1[nH]c2c(C(=O)O)cccc2c1CCBr 587636819 JZMQXGGBXVLIRZ-UHFFFAOYSA-N 296.164 3.366 50 1 CGGF CCCN(CCC)[C@@H]1CCn2c(C=C(C#N)C#N)ccc2C1 13642181 BEXZDWKMMJPZCQ-MRXNPFEDSA-N 296.418 3.355 50 1 CGGF C/C(=N\NC(=O)Nc1c(C)cccc1C)c1cccc(N)c1 28524910 YQQUCCZKZPPTAT-DEDYPNTBSA-N 296.374 3.431 50 1 CGGF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1CCCCl 587649309 PISBKIZTVHXFAH-UHFFFAOYSA-N 285.796 3.051 50 1 CGGF Clc1cnc2[nH]c(/C=C/CBr)nc2c1 586974445 WPVZIMXJJAWMEJ-OWOJBTEDSA-N 272.533 3.019 50 1 CGGF C=CCCCCC[C@H](Cl)[C@@H](O)CC#CC#C[C@H](O)C=C 13386145 MORPELUWUARUFU-IKGGRYGDSA-N 294.822 3.035 50 1 CGGF endogenous,in-man CC1=CO[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]24OO3 195239608 UKXCIQFCSITOCY-PCTWNACOSA-N 266.337 3.136 50 1 CGGF CCCC(=O)N(C)/N=N/c1ccc(C(=O)OCC)cc1 18099302 UDJCHZPRKVITKX-FOCLMDBBSA-N 277.324 3.121 50 1 CGGF C=CCCCCC[C@@H](Cl)[C@H](O)CC#CC#C[C@@H](O)C=C 230095764 MORPELUWUARUFU-GVDBMIGSSA-N 294.822 3.035 50 1 CGGF CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccccn1 49525625 FLXJITKQBDOZFQ-NTUHNPAUSA-N 299.337 3.090 50 1 CGGF C=C[C@@](C)(Cl)[C@H](Cl)C=CC(=CCl)CO 2356470148 PORLDPZDDAKKST-NXEZZACHSA-N 255.572 3.449 50 1 CGGF N#CC1=C(/N=C/c2ccccc2O)S[C@@H]2CCC[C@@H]12 73198237 KWJJMTHWANHFTJ-YWQYCSDJSA-N 270.357 3.462 50 1 CGGF CC(C)C1=C2[C@H](O)[C@](C)(O)CC[C@H]2[C@@](C)(N=C=S)CC1 40829441 KMKVJTMIHMKYBS-SYAUCNOPSA-N 295.448 3.116 50 1 CGGF FC(F)(F)c1cc2nc([C@H](Cl)CCl)[nH]c2cn1 587007536 FLSZXJJGKCKJCN-SCSAIBSYSA-N 284.068 3.495 50 1 CGGF COC(C)(C)[C@@H](Br)c1nc2c(C)nccc2[nH]1 586971140 MVGZTMGNUPPRQN-JTQLQIEISA-N 298.184 3.127 50 1 CGGF CC=C[C@](C)(C(=O)OCCP1OOO1)C(C)(C)C 2356705438 NTSGMUYXQCJEII-GFCCVEGCSA-N 276.269 3.363 50 1 CGGF C=C(C)[C@@H](O)CCC(=C)[C@@H]1COC2(CCCCC2)OO1 42784705 WCTXQKONDOZUKP-GJZGRUSLSA-N 282.380 3.267 50 1 CGGF COc1cc2nc(/C(C#N)=C/c3ccc(C)cc3)[nH]c2cn1 587188879 XWWMIWDRRLBMLH-NTUHNPAUSA-N 290.326 3.339 50 1 CGGF O=C(Cl)c1cc2n(n1)C(C(F)(F)F)=CC(=C1CC1)N2 958521387 AECCOEJDXASMHA-UHFFFAOYSA-N 289.644 3.139 50 1 CGGF CC(C#N)=C1CCC(c2nnn3cnc4[nH]ccc4c23)CC1 1772581797 QQXSUBIWTSVKII-UHFFFAOYSA-N 292.346 3.103 50 1 CGGF CCCCCC[C@@H](C)OC(=O)C[C@@H](O)CBr 27710542 QCYFUIMYSKLMCP-GHMZBOCLSA-N 295.217 3.034 50 1 CGGF C[C@H]1CCC[C@@H]2C[C@]3(O)OOC(C)(C)C3=C[C@]12C 238754245 UUSCHOCDYWYUOQ-DRABBMOASA-N 252.354 3.188 50 1 CGGF N[C@H](CCl)c1nc2cc(Cl)cc(Cl)c2[nH]1 587009831 BWRGUKSMBARSRW-ZCFIWIBFSA-N 264.543 3.108 50 1 CGGF C/C(=N/NC(=O)c1cccc2ccccc12)c1ccccn1 15989885 RUSKBXHCDOTPQX-MOSHPQCFSA-N 289.338 3.389 50 1 CGGF C=C1CC[C@@H]2OC[C@@H]2CC[C@@H]2[C@@H]([C@H]1OO)C2(C)C 2356549813 GEUBDECVHUNFDD-NDKCEZKHSA-N 252.354 3.262 50 1 CGGF CC(=O)OCC1=CCCC(C=O)=C[C@H]2[C@H](CC1)C2(C)C 2356584870 VGOHBZXHAWVRBT-HOTGVXAUSA-N 276.376 3.447 50 1 CGGF C[C@H](Br)c1nc2cc3c(cc2[nH]1)OCCCO3 587008735 NQULYBJDAJPTRE-ZETCQYMHSA-N 297.152 3.180 50 1 CGGF COc1cc2c3c(c1)O[C@]1(CCCC[C@@H]1Cl)[C@@H](C2)C3=O 587418099 ANYLKDGEVBIZJD-DETPVDSQSA-N 292.762 3.363 50 1 CGGF COc1ccc(/C=C(\C#N)c2ccc3c(c2)OCO3)cc1 653917166 FXJHVQIWFVVRDH-RIYZIHGNSA-N 279.295 3.488 50 1 CGGF COc1cc2c3c(c1)O[C@@](CCl)(C1(C)CC1)[C@@H](C2)C3=O 587417329 LLORELYPRSRJJS-MEDUHNTESA-N 292.762 3.220 50 1 CGGF C=CCN(C(=O)N(CCCl)N=O)C1CCCCC1 26393338 QICAPPOVQJALCJ-UHFFFAOYSA-N 273.764 3.149 50 1 CGGF CC(C)[C@]1(O)CC[C@](C)(N=C=S)[C@@H]2CC[C@@](C)(O)C=C21 2356654287 ZUDSVIIZJCRBTA-DMRZNYOFSA-N 295.448 3.116 50 1 CGGF CC1=C(C#N)C(=C(C#N)C#N)O[C@]1(C)Cc1ccccc1 73351258 QOGIOQFWVPQUKS-QGZVFWFLSA-N 275.311 3.159 50 1 CGGF CCOC(=O)CC[C@@]1(C)CC2(CCCCC2)OO1 43574754 KNYYUWHFIDKINI-ZDUSSCGKSA-N 256.342 3.143 50 1 CGGF O=C(N/N=C\c1ccccc1F)c1ccc2ncccc2c1 1857564471 CBBKSFUSQQOPDU-JAIQZWGSSA-N 293.301 3.138 50 1 CGGF CC(CCN1CC1)=NNC(=O)Nc1cccc2ccccc12 254047228 OBAOVVRDVKOEAF-UHFFFAOYSA-N 296.374 3.043 50 3 CGGF Cc1c(CCCCl)[nH]c2ccc(S(C)(=O)=O)cc12 587648577 BRIWQXOZXKQMFG-UHFFFAOYSA-N 285.796 3.051 50 1 CGGF CN(C)c1cccc(OCC2=CC=C(CO)SS2)c1 5849601 SVXQEUWFDUWQPI-UHFFFAOYSA-N 295.429 3.287 50 1 CGGF CC1=Nc2ccccc2/C1=C/NNC(=O)c1cccc(F)c1 104026477 XAMNKNNIFQXRAI-XNTDXEJSSA-N 295.317 3.207 50 3 CGGF C[C@]1(O)CC[C@@H]2C[C@@H]1OO[C@@]2(C)CSc1ccccc1 140060574 OIGMNEOVBPJXIP-OEAJRASXSA-N 294.416 3.419 50 1 CGGF CC(C)(C)OC(=O)/C(C#N)=C/c1cc2ccccc2[nH]1 1772641068 RYAZNMJSXMIKTB-FMIVXFBMSA-N 268.316 3.417 50 1 CGGF Cc1c(C)c(C)c(S(=O)(=O)OCCCl)c(C)c1C 1578324 NNBWRDBDAWVRHO-UHFFFAOYSA-N 290.812 3.173 50 1 CGGF C#CC=CC[C@H](O)[C@@H](Cl)CC=CCC(=O)CCC 2356530432 MMIAGHOBPFCKGD-GJZGRUSLSA-N 268.784 3.240 50 1 CGGF C#CC=CC[C@@H](O)[C@@H](Cl)CC=CCC(=O)CCC 2356530434 MMIAGHOBPFCKGD-LSDHHAIUSA-N 268.784 3.240 50 1 CGGF Clc1cc2nc(/C=C\CBr)[nH]c2cn1 586974304 VFVVKCDDCWWWDU-UPHRSURJSA-N 272.533 3.019 50 1 CGGF CC1(C)[C@@H]2CC=C(/C=N/NC(=O)c3ccccc3O)[C@@H]1C2 100591848 MHMOFKDAGZUTBJ-DFGDDMDISA-N 284.359 3.100 50 1 CGGF C[C@@H]1CCC[C@@]2(C)C[C@H]3OO[C@@]12C=C3C(C)(C)OO 2356420021 MANNKSPVIMNEML-DWZYQQQCSA-N 268.353 3.480 50 1 CGGF C[C@@H]1CCO[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 101267907 QGTNBZCODYOPJL-HSQRQVGSSA-N 282.380 3.258 50 1 CGGF Cc1cccc(C2OOC(c3ccc(CO)cc3)OO2)c1 72173634 WUCMZLLNLULOSW-UHFFFAOYSA-N 288.299 3.095 50 1 CGGF C=C[C@@]1(C)CC[C@@H]([C@H](C)[C@@]2(O)C[C@](C)(C(=C)C)OO2)O1 238777064 OQNVNFHRJADGGG-RFBLXINOSA-N 282.380 3.122 50 1 CGGF FC(F)(F)c1cccc2nc(CBr)[nH]c12 586971998 BTHHSNZLNXCLFG-UHFFFAOYSA-N 279.059 3.477 50 1 CGGF CCC(CC)C(=O)N(C)/N=N/c1ccc(C#N)cc1 1857571934 AKJXZLDMFWJCNI-WUKNDPDISA-N 258.325 3.452 50 1 CGGF O=C(NNc1c(Cl)cncc1Cl)[C@@H]1C[C@H]2C=C[C@H]1C2 102987897 OIQIOAQFPYPNCP-XHNCKOQMSA-N 298.173 3.044 50 1 CGGF CC(C)c1c(CCl)[nH]c2ccc(S(C)(=O)=O)cc12 587649988 UIDQRICJQXWAEJ-UHFFFAOYSA-N 285.796 3.434 50 1 CGGF C=C(C(=O)OC)[C@H]1CC[C@]2(C)CCCC(C=O)=C2C1 2356331912 VPIKHSFMIHXEBJ-LRDDRELGSA-N 262.349 3.201 50 1 CGGF C=C[C@]1(C)CC[C@@H]([C@H](C)C(=O)C=CC(C)(C)OO)O1 2356539678 WKCHNXVWJKIODW-OSAQELSMSA-N 268.353 3.140 50 1 CGGF Cc1ccc(-c2noc(CCCBr)n2)cc1 1247906928 RUGYMWFGEDONOG-UHFFFAOYSA-N 281.153 3.373 50 1 CGGF N#CC(=C1C=CC(=NO)C(Cl)=C1)c1ccccc1 1857615750 PUGDLVPAXCLGPY-UHFFFAOYSA-N 256.692 3.486 50 1 CGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(C1(C)CC1)O2 587374867 ZUWBPWPSLPAEPV-OAHLLOKOSA-N 279.767 3.320 50 1 CGGF C[C@@H]1CC[C@H]2[C@@H](C)CO[C@@H]3OC4(CCCC4)OO[C@]23C1 43834164 LMWHOMOWYGPPAI-WZYWGQKZSA-N 282.380 3.403 50 1 CGGF Fc1cccc2nc(/C=C\CBr)[nH]c12 586974316 VMWPPOAYKSIVFX-DJWKRKHSSA-N 255.090 3.110 50 1 CGGF CC(C)(C(=O)Cl)C(=O)c1coc2ccccc12 587280530 JJGCKGAZKYSKBP-UHFFFAOYSA-N 250.681 3.407 50 1 CGGF C[C@H](Cl)OC(=O)Nc1cccc2cccnc12 13815927 CEXCMYZJDZTLKR-MRVPVSSYSA-N 250.685 3.368 50 1 CGGF N#C/C(C(=O)Nc1ccccc1Cl)=C(/O)C1CC1 34459665 YCDCSHXYYFZWIP-XFXZXTDPSA-N 262.696 3.024 50 1 CGGF C#C[C@@]12C=C(C#N)C(=O)C=C1c1c(Cl)cccc1CC2 473136333 PZXJIYHKQHDHJL-QGZVFWFLSA-N 279.726 3.322 50 1 CGGF C=C1C(C)=C(C#N)C(=O)N1c1cc(Cl)ccc1OC 64286885 OUVBYUVNENODMN-UHFFFAOYSA-N 274.707 3.049 50 1 CGGF CCc1cc(=O)c2ccc(OC)c(CBr)c2o1 84564603 IUJCHJBELUACJK-UHFFFAOYSA-N 297.148 3.259 50 1 CGGF Cc1cccc(C)c1NC(=O)N/N=C/c1ccccc1O 28525762 JNRKFHLLNSSEMT-LICLKQGHSA-N 283.331 3.165 50 1 CGGF Cc1nccc2[nH]c(/C(C#N)=C/c3ccccc3)nc12 587187794 LDWOSLYLJQCXQE-UKTHLTGXSA-N 260.300 3.331 50 1 CGGF C=C1C[C@@](c2ccccc2)([C@@H](C)Br)OC1=O 1911583495 GWSCLOQKUSZCAL-MFKMUULPSA-N 281.149 3.168 50 1 CGGF CSc1ccc2nc(CBr)[nH]c2c1 586971911 ALLRTYJSPWJCSH-UHFFFAOYSA-N 257.156 3.180 50 1 CGGF COC(C)(C)[C@H](Br)c1nc2cccc(O)c2[nH]1 586970722 FCWCRKDLGVQINB-SNVBAGLBSA-N 299.168 3.130 50 1 CGGF BrC1[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2 13494200 WHJXVARCBWIYMM-PBWFPOADSA-N 280.209 3.292 50 1 CGGF CC=C(C=O)[C@H](CC)CC(=O)OCCc1ccc(O)cc1 2356391666 XWGCOCZPWAQUAS-CQSZACIVSA-N 290.359 3.039 50 1 CGGF CCOc1c(CCl)[nH]c2cccc([N+](=O)[O-])c12 587644351 VZKHFQXJGVZKEV-UHFFFAOYSA-N 254.673 3.214 50 1 CGGF COc1ccc(Cl)cc1C#Cc1cc(CCl)on1 587912208 IMUPIZZJYHMILL-UHFFFAOYSA-N 282.126 3.475 50 1 CGGF CCOC(=O)[C@H](Cl)c1[nH]c2cccc(F)c2c1C 587632620 MJIHCBSRRANLQL-LLVKDONJSA-N 269.703 3.458 50 1 CGGF CC1(C)C[N@]1P(=O)(Nc1ccccc1)[N@@]1CC1(C)C 1857564389 ASGZNDMZHUIARK-IRXDYDNUSA-N 279.324 3.395 50 1 CGGF C[C@H]1CCO[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@]42OO3 299805878 QGTNBZCODYOPJL-RARVGVHXSA-N 282.380 3.258 50 1 CGGF CC(=O)[C@@]1(Cc2ccccc2)CC[C@]2(C)OO[C@@]1(C)O2 473082837 AEBHNNJFRJGCTG-XHSDSOJGSA-N 276.332 3.009 50 1 CGGF O=C1C=C/C(=C/[C@H]2SSC=C[C@]23C=CC(=O)C3)C1 5923835 RDQDUUPMCHHTSD-CWCIKPCXSA-N 276.382 3.235 50 1 CGGF C[C@]1(CI)C[C@H]2CCCC[C@@H]2O1 27524979 GRAPDIZTOANYFS-KXUCPTDWSA-N 280.149 3.159 50 1 CGGF C[C@@H]1CCC2=C1C=C1C(C)(C)OO[C@]1(O)C[C@H]2C 2356468280 WXNXTCLYINNSQL-IQMDTDKHSA-N 250.338 3.108 50 1 CGGF [C-]#[N+]Cc1cccc(-c2cc3nc(N)nc(N)c3cc2C)c1 169706535 FFCMYKPNNBWSOB-UHFFFAOYSA-N 289.342 3.189 50 1 CGGF C#Cc1cccc(OCC2=CC=C(CO)SS2)c1 5828089 NOSMQAIZKOCFME-UHFFFAOYSA-N 276.382 3.202 50 1 CGGF CCCCCC[C@H](C)OC(=O)[C@H](Br)C(C)=O 118202624 VRAOLSZYHSGPPO-GXSJLCMTSA-N 293.201 3.241 50 1 CGGF CC[C@H]1CO[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 43889084 FXHWCKGQFFBYHP-IRGBNSHVSA-N 282.380 3.258 50 1 CGGF CC(=O)OC/C1=C/CC/C(C=O)=C\[C@@H]2[C@@H](CC1)C2(C)C 169356721 VGOHBZXHAWVRBT-ZLMMBQDDSA-N 276.376 3.447 50 1 CGGF OB(O)/C=C/c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 170118471 OBFLJGFUDKLWLG-MDZDMXLPSA-N 292.065 3.398 50 1 CGGF C[C@@H](Br)C=C(Br)Br 2356804039 XQUGRZJCGOAWKV-GSVOUGTGSA-N 292.796 3.401 50 1 CGGF Cc1ccc(/C=C(/C#N)c2nc3ccc(CO)cc3[nH]2)cc1 587188243 QALXTVHPEJJQGG-NVNXTCNLSA-N 289.338 3.428 50 1 CGGF O=[N+]([O-])c1ccc2nc(CCCCBr)[nH]c2c1 586972122 HEYFISJZZXXASG-UHFFFAOYSA-N 298.140 3.189 50 1 CGGF CC1=CC2=CC(C)(C)C[C@]2(OO)[C@@H](C)CC[C@H]1O 2356437832 JXXGQPLNOPZHMH-LNSITVRQSA-N 252.354 3.308 50 1 CGGF C[C@H]1CCO[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 101267908 QGTNBZCODYOPJL-ABDZMETNSA-N 282.380 3.258 50 1 CGGF CC(C)(F)[C@H](Br)c1nc2cccc(O)c2[nH]1 587087180 MTCYCKPINQXSBV-SECBINFHSA-N 287.132 3.453 50 1 CGGF ClC[C@@H](Cl)c1nc2cc(Br)cnc2[nH]1 587007554 FUNROCIGBAMOPN-RXMQYKEDSA-N 294.967 3.239 50 1 CGGF C[C@@H](Br)C(=O)c1coc2cc(C#N)ccc12 587278828 MHEMRXUULGDQPI-SSDOTTSWSA-N 278.105 3.271 50 1 CGGF CC(C)(F)[C@H](Br)c1nc2cc(F)cnc2[nH]1 587087792 UNTNQOAXFSHMIK-SSDOTTSWSA-N 290.111 3.281 50 1 CGGF Cc1ccc(C)c(Oc2ccc(/C=N/NC(N)=O)cc2)c1 27317786 SUIWRKVXKJREJW-VCHYOVAHSA-N 283.331 3.098 50 1 CGGF Brc1ccc(SSc2nc[nH]n2)cc1 103211504 IWHWZVASNKUING-UHFFFAOYSA-N 288.195 3.367 50 1 CGGF Cc1[nH]c2c(c1C)/C(=N/NC(=O)Nc1ccccc1)CCC2 40575976 VWYMRKOUEIQTHZ-HMMYKYKNSA-N 296.374 3.494 50 1 CGGF CCC(=O)OCC1=CC=C(COC(=O)CC)SS1 19672 IKKWLNCVXLKIIU-UHFFFAOYSA-N 288.390 3.056 50 1 CGGF C=C1CCC=C(COOC(C)=O)C(=O)C[C@@H]2[C@@H]1CC2(C)C 2356675051 FIBPQNOQMZOJAV-HUUCEWRRSA-N 292.375 3.379 50 1 CGGF CO[C@@H]1O[C@]2(C)CC[C@H]3CC(C)(C)CC[C@@]31OO2 43328090 CSJORYNQUHVXHL-UZGDPCLZSA-N 256.342 3.012 50 1 CGGF Cc1cccc(C)c1NC(=O)N/N=C/c1ccc(C#N)cc1 149719359 PKMXDJNFSCMMCI-YBFXNURJSA-N 292.342 3.331 50 1 CGGF C=C1C(C)=C(C#N)C(=O)N1c1cccc(SC)c1 64394224 ZCXLSKQVVNSNJZ-UHFFFAOYSA-N 256.330 3.109 50 1 CGGF C=C(C(=O)OC)[C@@H]1CC[C@@]2(C)CCCC(=C)[C@]2(OO)C1 85849379 XSFRJTINOXLAHU-FVQBIDKESA-N 280.364 3.491 50 1 CGGF C[C@@H](CO)[C@@H]1CC[C@@H](C)[C@@H]2CC[C@]3(C)C=C[C@]12OO3 43781081 TZWPIIIGXAVOBE-GWNLFYIMSA-N 266.381 3.086 50 1 CGGF COc1ccc(/C(C#N)=C\c2ccc(OC)c(N)c2)cc1 13780619 BSLJQCZQUKBZDO-ZROIWOOFSA-N 280.327 3.350 50 1 CGGF CC1=C(C#N)C(=C(C#N)C#N)O[C@]1(C)c1ccc(F)cc1F 73195711 UHMIWSTYMDDUHF-INIZCTEOSA-N 297.264 3.352 50 1 CGGF CC(/C=N\NC(=O)c1cccs1)=C\c1ccco1 33284627 MKNGRJXQFNVLER-VMXBWBJUSA-N 260.318 3.160 50 1 CGGF O=C1C[C@H](CCl)Oc2c1ccc1c2CCCC1 587498913 QMCQYLIKMIKOSO-SNVBAGLBSA-N 250.725 3.138 50 1 CGGF CC[C@@H](C)SS/C=C/COC(=O)CC(C)(C)O 31170111 JGSOKMZFTIETOS-QEHWCHDUSA-N 278.439 3.384 50 1 CGGF CC(C)(C)[Si](C)(C)O[C@H]1CC[C@H](O)C[C@]1(C)CCO 196926031 ARTIHLZNLBBBAE-YDHLFZDLSA-N 288.504 3.310 50 1 CGGF Cc1c(F)ccc2c1[C@@](CBr)(C1CC1)NCC2 962147754 QEQSEJXPOAELRD-CQSZACIVSA-N 298.199 3.280 50 1 CGGF COC(=O)N/N=C(/c1ccccc1)C1CCCCC1 5560610 RBMFGVTUTBAWJI-PEZBUJJGSA-N 260.337 3.327 50 3 CGGF Fc1cc(F)c2[nH]c(/C=C/CBr)nc2c1 586974238 TURJYFASMWMFFU-OWOJBTEDSA-N 273.080 3.249 50 1 CGGF BrC1[C@@H]2CC[C@@H]1CN(Cc1ccccc1)C2 100789158 WHJXVARCBWIYMM-CHWSQXEVSA-N 280.209 3.292 50 1 CGGF CC1CCC2(CC1)C[C@@](C)(CC(C)(C)CO)OO2 42852691 NQQLHLMZPCUSHU-HNFVBEJKSA-N 256.386 3.455 50 1 CGGF O[C@@H](CCl)CNc1cccc(Cl)c1Cl 29126269 BTHHIYRPUOJHHZ-LURJTMIESA-N 254.544 3.005 50 1 CGGF CO[C@@H]([C@@H](C)CO[Si](C)(C)C(C)(C)C)[C@@H](C)O 2356528240 WEAQMQBKBLUICG-TUAOUCFPSA-N 262.466 3.040 50 1 CGGF C=C[C@]1(C)CC[C@H]([C@H](C)[C@@H]2C=CC(C)(C)OO2)O1 2356680713 RXXCFDMFXFGCML-SFDCQRBFSA-N 252.354 3.411 50 1 CGGF N#C/C(=C\c1ccc([N+](=O)[O-])o1)c1nc2ccccc2o1 40980824 ZYTRJXROMQJXNJ-VQHVLOKHSA-N 281.227 3.393 50 1 CGGF Cc1cc(C)c(/C=N/NC(=O)c2cc3ccccc3o2)[nH]1 95755668 LXQPTJQMBDLIRT-RQZCQDPDSA-N 281.315 3.142 50 1 CGGF Cc1nccc2[nH]c(/C(C#N)=C\c3ccccc3)nc12 587187791 LDWOSLYLJQCXQE-LCYFTJDESA-N 260.300 3.331 50 1 CGGF CCOC(=O)[C@H](Cl)c1cc2c3c(cccc3n1)CC2 587209216 KECSPUUQNVYAJY-CQSZACIVSA-N 275.735 3.176 50 1 CGGF FC(F)(F)Oc1ccc2nc(CBr)[nH]c2c1 586972146 IFONCXUPMAJSBF-UHFFFAOYSA-N 295.058 3.356 50 1 CGGF CN(C)C(=O)Oc1ccc(CCl)c2cccnc12 1857588510 DJIHMABPNQHDBK-UHFFFAOYSA-N 264.712 3.034 50 1 CGGF C=CCN(C1=CCCCC1)P(=O)([N@]1C[C@@H]1C)[N@]1C[C@@H]1C 1857743159 CDXFMVBCUDQQAP-LBTBCDHLSA-N 295.367 3.449 50 1 CGGF O=C(NNc1c(Cl)cncc1Cl)[C@H]1C[C@@H]2C=C[C@H]1C2 84652572 OIQIOAQFPYPNCP-VGMNWLOBSA-N 298.173 3.044 50 1 CGGF COC(C)(C)[C@H](Br)c1nc2ccccc2[nH]1 586971664 VYABCAWHFWWIIM-SNVBAGLBSA-N 283.169 3.424 50 1 CGGF Cc1cc2c(c(C)c1CCCl)C(=O)C(C)(C)[C@@H]2O 14682826 OMTXVTRMPMAOCK-CYBMUJFWSA-N 266.768 3.341 50 1 CGGF C[C@H]1CCC[C@@]2(C)C[C@H]3OO[C@@]12C=C3C(C)(C)OO 44093795 MANNKSPVIMNEML-FDEJFUCISA-N 268.353 3.480 50 1 CGGF CC[C@@]1(CCl)N[C@H](C)Cc2c(OC)ccc(OC)c21 963634669 LHGQZJIOHCNYOS-BMIGLBTASA-N 283.799 3.082 50 1 CGGF N#C/C(=C/c1ccc(Cl)cc1)C(=O)c1ccc[nH]1 169329417 YBOSUGULGWKFKK-FLIBITNWSA-N 256.692 3.458 50 1 CGGF C#CC=CC[C@H](Cl)[C@@H]1CCC(=O)C=C[C@@H](CC)O1 2356485661 OQCPIRSOVPXDNM-ILXRZTDVSA-N 266.768 3.256 50 1 CGGF C=CCOP(=O)(CCCCN=C=S)OCC=C 1772579494 WDTYCXCTWHCFGB-UHFFFAOYSA-N 275.310 3.468 50 1 CGGF O[C@@H](CCl)CNc1cc(Cl)cc(Cl)c1 29126628 CMCDAANTNQVRFU-VIFPVBQESA-N 254.544 3.005 50 1 CGGF C[C@]12CCC[C@H](C1)[C@](C)(CI)O2 27524983 XCGBVMYIVBKEPI-UTLUCORTSA-N 280.149 3.159 50 1 CGGF Cc1cc(OC(C)(C)C)n(-c2ccnc(CCl)n2)c1O 587939517 FDYUEZWPXNYWSH-UHFFFAOYSA-N 295.770 3.197 50 1 CGGF CCCCCC[C@@H](C)OC(=O)[C@H](Br)C(C)=O 118202621 VRAOLSZYHSGPPO-MWLCHTKSSA-N 293.201 3.241 50 1 CGGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCl)N1 587682973 FEOLAVWNEZXZKG-KSBSHMNSSA-N 292.579 3.402 50 1 CGGF Cc1c(F)ccc2nc(/C=C/CBr)[nH]c12 586974082 QGOUHOQRBWLPSK-NSCUHMNNSA-N 269.117 3.419 50 1 CGGF COC(=O)[C@]1(C)[C@@H]2C=C(C=O)CCC=C(C)CC[C@@H]21 2356403576 NRZFMXMBODNUGB-LZWOXQAQSA-N 262.349 3.057 50 1 CGGF C/C(=N\NC(=O)Nc1c(C)cccc1C)c1ccc(N)cc1 28524396 PILHBUIWDAXSMG-DEDYPNTBSA-N 296.374 3.431 50 1 CGGF CC(C)Oc1ccc2nc(CBr)[nH]c2c1 586972418 QJIMUMDCUFMHOJ-UHFFFAOYSA-N 269.142 3.245 50 1 CGGF CN(C)C[C@@H](Br)c1ccc(Cl)cc1 169345620 PUOSWBYUCVUZQA-SNVBAGLBSA-N 262.578 3.338 50 1 CGGF O=C(Nc1cc(Cl)ccc1O)OCC(Cl)Cl 27311524 DHLHURPWMGGKCR-UHFFFAOYSA-N 284.526 3.398 50 1 CGGF COCCCCc1cccc(NC(=O)NCCCl)c1 28646692 MEDXKJGHHGDXFR-UHFFFAOYSA-N 284.787 3.016 50 1 CGGF CCc1[nH]c2cc([N+](=O)[O-])ccc2c1CCCl 587644685 KFZKEPOTMGSBGJ-UHFFFAOYSA-N 252.701 3.420 50 1 CGGF Cc1cccc(C)c1NNC(=O)CCc1ccccc1 84669201 YKRDLIGUKAHFOE-UHFFFAOYSA-N 268.360 3.379 50 1 CGGF CC[C@@]12CC[C@H]3[C@H](C)CC[C@@H]4CCO[C@@H](O1)[C@]34OO2 195230673 YOILOSTXXIBJEP-PEZGRIKUSA-N 268.353 3.012 50 1 CGGF CCc1ccc2nc(-c3ccc4c(c3)C(=O)OC4=O)[nH]c2c1 586906520 NGNSPINGIQICEW-UHFFFAOYSA-N 292.294 3.103 50 1 CGGF CC(C)(C)[Si](C)(C)O[C@H]1CCCO[C@@H]1/C=C\CO 195112264 SJRUNXCIPCBXDS-UWNIJABGSA-N 272.461 3.104 50 1 CGGF CN(CCCCCl)C(=O)n1cnc(-c2ccccc2)c1 72108112 ULOIHJOBJLPNOI-UHFFFAOYSA-N 291.782 3.469 50 1 CGGF Fc1cnc(Cl)c2[nH]c(/C=C\CBr)nc12 586972957 DCUPAHWUKASMRP-UPHRSURJSA-N 290.523 3.159 50 1 CGGF NC(=O)N/N=C/c1ccc(Oc2ccccc2Cl)cc1 27315183 YXPGYHDZIYFDEO-RQZCQDPDSA-N 289.722 3.135 50 1 CGGF COc1cc2nc(/C(C#N)=C\c3ccccc3)[nH]c2cn1 587187461 HPUOOZUYMRWVOT-GHXNOFRVSA-N 276.299 3.031 50 1 CGGF CC(=N)/C(C#N)=C(/O)CSc1ncnc2ccccc12 101511522 JXNAQJYGHQTWQL-JHSYHIFBSA-N 284.344 3.097 50 1 CGGF Cc1c(Cl)ccc2nc(CBr)[nH]c12 586971750 YCTMMOHJBVEXSK-UHFFFAOYSA-N 259.534 3.420 50 1 CGGF [C-]#[N+][C@]1(C)CC[C@@H](/C(C)=C/[C@H](O)[C@@H]2OC2(C)C)CC1 238789180 UZLMTWZLBRMGLX-GGTNMRLMSA-N 263.381 3.339 50 1 CGGF CC(=O)OC[C@]1(C)[C@@H]2C=C(C=O)CCC=C(C)CC[C@H]21 1857626389 RBYAXSDAQKDGTH-ZACQAIPSSA-N 276.376 3.447 50 1 CGGF C/C(=N/NC(=O)c1cccc(N)c1)c1cccc(Cl)c1 103194028 KCUIQJBKXIZIRW-ZDLGFXPLSA-N 287.750 3.076 50 1 CGGF COc1cc2nc([C@H](Cl)CCl)[nH]c2cc1OC 587008542 PJKJHJZXKCTJSA-ZCFIWIBFSA-N 275.135 3.099 50 1 CGGF CC1=C(C#N)C(c2cccc(F)c2F)C(C#N)=C(C)N1 49792899 KXVDCPPOSPZQSC-UHFFFAOYSA-N 271.270 3.247 50 1 CGGF C[C@H]1CC[C@@H](OO)C2=CC(=O)[C@H]3[C@H](C3(C)C)[C@@]21C 44387654 BMIGITXCSNEZHP-VCKDSHSUSA-N 250.338 3.062 50 1 CGGF O=C(N/N=C\[C@@H]1CC=CCC1)c1ccc(Br)o1 15890325 PDJKTJRIVHHRDK-ZJTXEKFPSA-N 297.152 3.114 50 3 CGGF Cc1cc2[nH]c(/C=C\CBr)nc2cc1[N+](=O)[O-] 586973368 IUUUSNVWKXTDKM-IHWYPQMZSA-N 296.124 3.188 50 1 CGGF C[C@H](Br)c1nc2cc(F)cc(F)c2[nH]1 587007658 CEYHGCPKBFSDBU-BYPYZUCNSA-N 261.069 3.297 50 1 CGGF CSc1nc(N)c(C)c([C@@H](Cl)c2ccccc2)n1 40953081 SDBOUXQEOIVRRO-JTQLQIEISA-N 279.796 3.417 50 1 CGGF C=C[C@@H](O)C#CC#CC[C@H](O)[C@H](Cl)CCCCCCC 85903634 PBNFQEYKZLUTLH-ZACQAIPSSA-N 296.838 3.259 50 1 CGGF in-man C=C(C(=O)OC)[C@@H]1CC[C@@]2(C)CCC=C(C=O)[C@@H]2C1 238740640 HQPGFIHOVDBZME-IVMMDQJWSA-N 262.349 3.057 50 1 CGGF N#C/C(=C\c1c[nH]c2ccccc12)C(=O)c1ccc[nH]1 95586490 IRIJFCJWICCEGN-DHZHZOJOSA-N 261.284 3.286 50 1 CGGF O=C(c1coc2cc([N+](=O)[O-])ccc12)C(Cl)Cl 587280109 JIWOKMDIQSSHJL-UHFFFAOYSA-N 274.059 3.327 50 1 CGGF N#C/C(=C1/C=CC(=NO)C(Cl)=C1)c1ccccc1 253678040 PUGDLVPAXCLGPY-FFWSCLDHSA-N 256.692 3.486 50 3 CGGF Fc1cnc(Cl)c2[nH]c([C@H](Cl)CCl)nc12 587008705 QSSBIQZXSAVVRD-GSVOUGTGSA-N 268.506 3.269 50 1 CGGF Fc1c(Cl)cc2nc(CBr)[nH]c2c1F 586972266 LAAZKUVPGBAUDP-UHFFFAOYSA-N 281.487 3.389 50 1 CGGF N#CC(C#N)=Cc1cccc(Oc2ccc(Cl)nn2)c1 1857549680 TXLOYAXKYHUXPS-UHFFFAOYSA-N 282.690 3.353 50 1 CGGF S=C=Nc1ccc2[nH]c(-c3ccccn3)nc2c1 28097621 QZDKHJSLUXPIRJ-UHFFFAOYSA-N 252.302 3.359 50 1 CGGF CCn1cc(CCCNC(=N)CCl)c2ccccc21 1857656603 GHTSDFVXGDTGAV-UHFFFAOYSA-N 277.799 3.399 50 1 CGGF O=C(N/N=C/c1cccc(O)c1)Nc1ccccc1Cl 103193411 WMOROBBWRZDCJD-CXUHLZMHSA-N 289.722 3.201 50 1 CGGF Oc1ccc2c(c1)[C@@]1(CCC[C@H](Br)C1)NCC2 963350248 ANZGQVXKHMVFCD-FZMZJTMJSA-N 296.208 3.071 50 1 CGGF CCCCC/C=C\C[C@]1(OC(C)=O)C=CC(=O)/C1=C\C=O 13399577 GQEGEZIKMJIZMB-YSFYDQBUSA-N 290.359 3.079 50 1 CGGF O[C@H](CCl)CNc1cc(Cl)cc(Cl)c1 29126629 CMCDAANTNQVRFU-SECBINFHSA-N 254.544 3.005 50 1 CGGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@H]1Cl)O2 587380355 DKQVQGIQKHBQRU-OCCSQVGLSA-N 265.740 3.073 50 1 CGGF C[C@]12CC[C@H]3[C@@](C)(OO[C@]3(c3ccc(Cl)cc3)O1)O2 103022770 AZCHERWIRLIVAS-DGAVXFQQSA-N 282.723 3.344 50 1 CGGF COc1cc2c3c(c1)O[C@](CCl)(CC(C)C)[C@@H](C2)C3=O 587419183 XCMAKYGVSCWPCL-LRDDRELGSA-N 294.778 3.466 50 1 CGGF CC1(C)C[N@@]1[P@](=O)(NC1CCCCC1)[N@@]1CC1(C)C 1857536042 RYPGELGSZBUQOM-IZZQQSIFSA-N 285.372 3.205 50 1 CGGF CCC12CC(C34CC5CC(CC(C5)C3)C4)(OO1)OO2 205075327 STZDTPXHGKZTPO-UHFFFAOYSA-N 266.337 3.319 50 1 CGGF CC(=O)OC[C@]1(C)[C@H]2/C=C(/C=O)CC/C=C(\C)CC[C@H]21 197455127 RBYAXSDAQKDGTH-MZSOIMPXSA-N 276.376 3.447 50 1 CGGF Fc1cc2nc(/C=C/CBr)[nH]c2c(F)c1F 586973129 FUIGUUQIMVCJLZ-OWOJBTEDSA-N 291.070 3.388 50 1 CGGF CC(C)(F)[C@H](Br)c1nc2cnccc2[nH]1 587087870 XOPOFUSTDHRVOX-MRVPVSSYSA-N 272.121 3.142 50 1 CGGF S=C=Nc1ccc2nc(-c3cnccn3)oc2c1 28089279 RCKZUEXDEIIMDQ-UHFFFAOYSA-N 254.274 3.019 50 1 CGGF O=C(CCC1CCCCC1)N/N=C\c1ccc(O)cc1 103167750 JTAFCJINLVBIBB-ATVHPVEESA-N 274.364 3.203 50 1 CGGF CSc1cccc(/C=N/NC(=O)c2ccc(C)cc2)c1 103172741 RKEHYWIOAWVHQG-GZTJUZNOSA-N 284.384 3.481 50 1 CGGF N#C/C(=C/c1ccccc1)c1nc2cc(C#N)c(C#N)cc2[nH]1 587187733 KFPURXZVGGEHKA-UUASQNMZSA-N 295.305 3.370 50 1 CGGF CC=CC#CC#CC=CC=CCCCCC(=O)OC(C)=O 2356525346 XHGRYBGLBWWWOY-UHFFFAOYSA-N 284.355 3.332 50 1 CGGF C[C@@H](c1ccc(Cl)cc1)C1C2(C)OOC1(C)OO2 95556868 RSRKRZGYSVIVST-FTHGECADSA-N 270.712 3.416 50 1 CGGF CC[C@@H](C)[C@@]1(CCl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587417858 QBNMLXSCCZMPLQ-VYROHLMNSA-N 294.778 3.466 50 1 CGGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@H]2CC[C@H](C2)[C@H]1Cl 587383058 VCSFIMKIXBVIEY-GYHMKYFYSA-N 291.778 3.319 50 1 CGGF C=C1C(C)=C(C#N)C(=O)N1Cc1ccccc1Cl 64574052 MHORNKBRRCJHDR-UHFFFAOYSA-N 258.708 3.036 50 1 CGGF CSc1ccc(C2=C(c3ccccc3)C(=O)OC2=O)cc1 49771761 WPMHHCMNWIUJAS-UHFFFAOYSA-N 296.347 3.403 50 1 CGGF CN(C)C[C@H](Br)c1cccc(Cl)c1 169345625 HEUNEIVUBOPJSZ-JTQLQIEISA-N 262.578 3.338 50 1 CGGF Cc1ccc2nc(/C(C#N)=C/c3ccccc3)[nH]c2n1 587186962 BOXVBBOHUUSCQO-UKTHLTGXSA-N 260.300 3.331 50 1 CGGF CC(C)=NNC(=O)c1sc2cc(Cl)ccc2c1O 84722626 VEKQZZDIJXCULT-UHFFFAOYSA-N 282.752 3.386 50 1 CGGF O=C(Cl)c1cnn2c1NC(=C1CC1)C=C2C(F)(F)F 958521388 YQLLIYZWQKLPLS-UHFFFAOYSA-N 289.644 3.139 50 1 CGGF CC(C)=C(C#N)C(=O)N[C@H](C)c1ccc(Cl)cc1 103181061 JQHPFGDZGAUCGV-SNVBAGLBSA-N 262.740 3.377 50 1 CGGF CC/C=C(/c1ccccc1)N(CCOC)C(=O)CCl 103198625 HYRFWEMJNBGRIP-AUWJEWJLSA-N 281.783 3.151 50 1 CGGF COc1cc2c3c(c1)O[C@@](C)(CCCCl)[C@@H](C2)C3=O 587420666 IICXINNYQPQEMP-NHYWBVRUSA-N 280.751 3.220 50 1 CGGF C[C@H]1Oc2ccccc2C=C1/C=N/NC(=O)c1cccs1 1772649287 KFOUDDVEWANHIP-JDAJCMJVSA-N 298.367 3.328 50 1 CGGF C=C(c1ccccc1)[C@H]1CCOC2(CCC(=O)CC2)OO1 43620436 LCAZQFNVTDZTJD-MRXNPFEDSA-N 288.343 3.276 50 1 CGGF Cc1cccc(OC(C)(C)C(=O)N/N=C/c2ccccc2)c1 43020650 OJNKTKNEEUWOAY-CPNJWEJPSA-N 296.370 3.303 50 1 CGGF CC1(C)[C@@H]2C=C(COO)CC[C@@H]3O[C@@]3(C)CC[C@H]21 2356615138 WMKOXLOLBDIFPW-CXTNEJHOSA-N 252.354 3.406 50 1 CGGF Fc1ccc2nc(CCCCBr)[nH]c2c1 586972694 ZLMQFEWCPZQVTO-UHFFFAOYSA-N 271.133 3.420 50 1 CGGF C=C(C(=O)OC)[C@@H]1CC[C@@]2(C)CCCC(C=O)=C2C1 2356331913 VPIKHSFMIHXEBJ-MLGOLLRUSA-N 262.349 3.201 50 1 CGGF CCCCCC[C@@H](C)OC(=O)C[C@H](O)CBr 27710547 QCYFUIMYSKLMCP-MNOVXSKESA-N 295.217 3.034 50 1 CGGF CCCN(CCC)[C@H]1CCn2c(C=C(C#N)C#N)ccc2C1 13642184 BEXZDWKMMJPZCQ-INIZCTEOSA-N 296.418 3.355 50 1 CGGF Cc1cc([C@@H](Br)CN(C)C)ccc1F 169345639 FGOYARJHPRPLRK-JTQLQIEISA-N 260.150 3.132 50 1 CGGF Clc1nccc2nc(/C=C/CBr)[nH]c12 586972751 AWRTURASSQDWBS-OWOJBTEDSA-N 272.533 3.019 50 1 CGGF C=C1CC[C@](CBr)(c2ccccc2)OC1=O 1911580637 VBKFPHZXNLFRRL-ZDUSSCGKSA-N 281.149 3.170 50 1 CGGF C/C(C=O)=C\CC/C(C)=C/C=C/C(=O)N1CCCCC1 40379325 QELFRBYSVVMKBN-CWRCUQLCSA-N 275.392 3.427 50 1 CGGF O=C(CCCl)Nc1ccc2nc3ccccc3nc2c1 96932243 VLLMAPCFPLAVGD-UHFFFAOYSA-N 285.734 3.350 50 1 CGGF CCC=C[C@]1(CC)C[C@H](CC)[C@H](CC(=O)OC)OO1 2356382452 BAKJVBVQCDUJOC-KCQAQPDRSA-N 270.369 3.411 50 1 CGGF N#C/C(=C\c1ccccc1)c1nc2ccc(CCO)cc2[nH]1 587187267 FPUZKPDUMPDFPH-XNTDXEJSSA-N 289.338 3.162 50 1 CGGF CC(/C=N\NC(=O)c1ccco1)=C\c1ccccc1 33294562 YPOUSYHVAVAKGG-YPKRTGEASA-N 254.289 3.099 50 1 CGGF C[C@@]1(CI)C[C@H]2CCCC[C@H]2O1 27524980 GRAPDIZTOANYFS-BBBLOLIVSA-N 280.149 3.159 50 1 CGGF C[C@]1(CSc2ccccc2)OO[C@H]2C[C@@H]1CC[C@@]2(C)O 195523976 OIGMNEOVBPJXIP-ARLBYUKCSA-N 294.416 3.419 50 1 CGGF C=C1C=C[C@H]([C@@H](C)CC=CC(C)(C)OO)C[C@H]1O 2356425600 OZVHKBNOLDNDLO-FPMFFAJLSA-N 252.354 3.330 50 1 CGGF CC(=CC[C@H](Br)C(C)=CC=O)CCl 2356395009 KGSVMLBXKKREBT-JTQLQIEISA-N 265.578 3.470 50 1 CGGF CC1(C)C(C=O)=C[C@]2(C)O[C@@H]3C[C@]12CC[C@]3(C)Cl 38222900 ZFIOMRPWJXWTDM-UQOMUDLDSA-N 268.784 3.477 50 1 CGGF O=C(N/N=C\c1cccs1)c1ccc2ncccc2c1 15987490 ZQNNFTJMHQQJCZ-YVLHZVERSA-N 281.340 3.060 50 1 CGGF ClC[C@@H](Cl)c1nc2ccc(Br)nc2[nH]1 587008358 OCBRCCLOMXAYFP-SCSAIBSYSA-N 294.967 3.239 50 1 CGGF COCCN(C(=O)CCl)C(=C(C)C)c1ccc(C)cc1 103193384 JEFZPCWEUUICFJ-UHFFFAOYSA-N 295.810 3.460 50 1 CGGF C=C1C[C@@](c2ccccc2)([C@H](C)Br)OC1=O 1911583493 GWSCLOQKUSZCAL-GWCFXTLKSA-N 281.149 3.168 50 1 CGGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(C1(C)CC1)O2 587374865 ZUWBPWPSLPAEPV-HNNXBMFYSA-N 279.767 3.320 50 1 CGGF CC1(C)[C@H]2C=C(COO)CC[C@H]3O[C@@]3(C)CC[C@H]21 2356615137 WMKOXLOLBDIFPW-COMQUAJESA-N 252.354 3.406 50 1 CGGF ClC[C@@H](Cl)c1nc2ccc(Cl)nc2[nH]1 587009142 XDYCSYORFFDERI-SCSAIBSYSA-N 250.516 3.130 50 1 CGGF Cc1cccc(C)c1NC(=O)N/N=C\c1ccco1 28525000 DZSJWZIULNOTJC-DHDCSXOGSA-N 257.293 3.052 50 1 CGGF O=C1OC(=O)c2c1c(-c1ccccc1)nc1ccccc21 73370797 BGUYBCXMKXMAHV-UHFFFAOYSA-N 275.263 3.212 50 1 CGGF CC1CCC2(CC1)C[C@](C)(CC(C)(C)CO)OO2 42852693 NQQLHLMZPCUSHU-BLZCZZARSA-N 256.386 3.455 50 1 CGGF CC(C)(C)c1ccc(CNC(=O)NCCCCl)cc1 53297810 HQYFQTXCRSQXIH-UHFFFAOYSA-N 282.815 3.412 50 1 CGGF CCC(CC)=NO[P@@](N)(=O)NCCC(Cl)Cl 29470559 UQAFQEIYCXNIMY-MRXNPFEDSA-N 290.131 3.029 50 1 CGGF CN1CCc2c(Br)cccc2[C@H]1CCl 963281689 UZJPEULKVKDDCC-LLVKDONJSA-N 274.589 3.217 50 1 CGGF ClC[C@@]12N[C@H](Cc3ccccc31)c1ccccc12 100659979 UOLSUAISTAABPY-HZPDHXFCSA-N 255.748 3.369 50 1 CGGF COC(=O)Cc1c(CCl)[nH]c2cc(Cl)c(F)cc12 587627903 CLKRIDLVWPAPPD-UHFFFAOYSA-N 290.121 3.415 50 1 CGGF CCC[C@]12CC[C@H]3[C@H](C)CC[C@@H]4CCO[C@@H](O1)[C@]34OO2 58689512 ZZEYTEJYRRBBLR-VTMBPIDISA-N 282.380 3.403 50 1 CGGF O=C/C=C/c1ccc(/C=C/c2ccc(O)c(O)c2)cc1 42988990 FPOABKCLYCJVMR-GQUYQXFZSA-N 266.296 3.480 50 1 CGGF CC(C)Oc1ccc(C(=O)C(Cl)Cl)cc1[N+](=O)[O-] 1857765726 AZBQMSXFKLKWBD-UHFFFAOYSA-N 292.118 3.368 50 1 CGGF COC(=O)C(C=CC1=C(C)CCCC1(C)C)=CC=O 2356485289 ABLLMNKGCCQLSX-UHFFFAOYSA-N 262.349 3.368 50 1 CGGF C=CCCCCC[C@H](Cl)[C@@H](O)CC#CC#C[C@@H](O)C=C 14924055 MORPELUWUARUFU-ULQDDVLXSA-N 294.822 3.035 50 1 CGGF endogenous,in-man N#Cc1ccc2c(C(=O)[C@@H](Cl)CCl)coc2c1 587277606 AEGSUCJDLLFZGI-JTQLQIEISA-N 268.099 3.333 50 1 CGGF Cc1cc(CBr)nc(Nc2ccccc2)n1 98085080 JUDXWWQUUBAARJ-UHFFFAOYSA-N 278.153 3.424 50 1 CGGF CC1=C2C[C@]3(C)[C@H](C)CCC[C@@H]3C[C@@]2(O)OOC1 2356759572 AGFJUBWRTFBUAS-QHSBEEBCSA-N 252.354 3.190 50 1 CGGF C=C1C[C@](CBr)(c2ccccc2C)OC1=O 1911576822 QDNLGPUMHLIOSB-ZDUSSCGKSA-N 281.149 3.088 50 1 CGGF CC[C@]12CC[C@H]3[C@H](C)CC[C@H]4CCO[C@@H](O1)[C@@]43OO2 195230698 YOILOSTXXIBJEP-HCDMYHGNSA-N 268.353 3.012 50 1 CGGF CC(C)(F)[C@H](Br)c1nc2ccc(O)cc2[nH]1 587087855 XCTOCCMJBIBMEK-SECBINFHSA-N 287.132 3.453 50 1 CGGF CC(C=O)=CC=C[C@]1(C)C=Cc2cc(O)ccc2O1 2356683553 ZLEMUDCAEPTXIK-MRXNPFEDSA-N 256.301 3.258 50 1 CGGF Cc1c(CBr)[nH]c2cc([N+](=O)[O-])ccc12 587643749 JDCPKCWWGZYGPT-UHFFFAOYSA-N 269.098 3.279 50 1 CGGF C=CCC[C@@]1(CCl)CC(=O)c2cc(C)cc(N)c2O1 587374290 VQPXSIAZDIXENQ-HNNXBMFYSA-N 279.767 3.486 50 1 CGGF CC(=CC[C@@H](Br)C(C)=CC=O)CCl 2356395010 KGSVMLBXKKREBT-SNVBAGLBSA-N 265.578 3.470 50 1 CGGF C[C@@H]1C=CN(C)c2c1c1c(n2C)CC[C@@H]1OCCCl 101614223 ZPCZZAHGSUQXMT-PWSUYJOCSA-N 280.799 3.335 50 1 CGGF CCc1ccc(Oc2ccc(/C=N/NC(N)=O)cc2)cc1 27315518 GVGKJCSRQCWHIH-WOJGMQOQSA-N 283.331 3.044 50 1 CGGF C=C(C)[C@@H]1OOC2(O[C@H]1C)C1CC3CC(C1)CC2C3 43462874 FDVWRLAYGRZRQX-YZQVSVNPSA-N 264.365 3.450 50 1 CGGF COC(=O)/C(=C/C=C/c1ccccc1)CSC#N 95559717 KTNCSQXRLHHXHK-BHHNFLQBSA-N 259.330 3.013 50 1 CGGF COC(=O)Cc1c(CCl)[nH]c2ccc(F)c(Cl)c12 587628994 XQNLGNFIVFYPCS-UHFFFAOYSA-N 290.121 3.415 50 1 CGGF Cc1c(CNC(=O)CCl)[nH]c2ccc(F)c(Cl)c12 587628376 NCVOPZVSYIAYDR-UHFFFAOYSA-N 289.137 3.124 50 1 CGGF C[C@@]1(CI)C[C@H]2CCCC[C@@H]2O1 27524978 GRAPDIZTOANYFS-UTLUCORTSA-N 280.149 3.159 50 1 CGGF COc1cc(OC)c(/C(=C/C=O)c2ccccc2)cc1O 169350289 XUJPXFOWZHBZIJ-MDWZMJQESA-N 284.311 3.040 50 1 CGGF CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccncc1 49793454 VKTXUOVBBIBKCK-NTUHNPAUSA-N 299.337 3.090 50 1 CGGF C/C(CC(C)C)=N\NC(=O)c1cc2ccccc2[nH]1 96907815 WVJASJNYERNCIZ-GZTJUZNOSA-N 257.337 3.320 50 1 CGGF O=C(CBr)c1ccc2cc(O)ccc2c1 103284437 IIUGPACSSGZHDS-UHFFFAOYSA-N 265.106 3.123 50 1 CGGF C/C(=N/NC(N)=O)c1ccc(Oc2ccc(F)cc2)cc1 27314854 TTWHXYUOELUNKB-ZDLGFXPLSA-N 287.294 3.010 50 1 CGGF C=C[C@@H](O)C#CC#CC[C@@H](O)[C@@H](Cl)CCCCCCC 85903629 PBNFQEYKZLUTLH-IXDOHACOSA-N 296.838 3.259 50 1 CGGF in-man CCCC[C@@H](O)c1cccc(NC(=O)CCCl)c1 53314028 NTWYKSXVLMLEHK-CYBMUJFWSA-N 269.772 3.478 50 1 CGGF CC(C)[C@@H]1CC[C@](C)(NC=O)[C@H]2CC[C@@](C)(OO)C=C12 2356792327 JPEINUQOKMQTFW-HNKHHVNMSA-N 281.396 3.142 50 1 CGGF CC(C)=C1C[C@]2(C)C(=CC1=O)[C@H](Cl)[C@@H](O)C[C@H]2C 2356581783 KRUYTVXXGLLMSF-GBALPHGKSA-N 268.784 3.236 50 1 CGGF C=C[C@](C)(O)CC=C[C@](C)(CC(=O)C=C(C)C)OO 2356652281 VKKZYMLSLLRWLW-LSDHHAIUSA-N 268.353 3.043 50 1 CGGF N#C/C(=C\c1ccc(Cl)cc1)C(=O)c1ccc[nH]1 95589961 YBOSUGULGWKFKK-DHZHZOJOSA-N 256.692 3.458 50 1 CGGF Cc1ccc(/C=C(/C#N)c2nc3ccncc3[nH]2)cc1 587188364 QSMMVTOMTKAGQU-JYRVWZFOSA-N 260.300 3.331 50 1 CGGF C[C@]1(C(=O)NNc2cccc3ncccc23)C[C@@H]2C=C[C@@H]1C2 169293929 DOARLLFDFTYHPZ-VFVRVIDISA-N 293.370 3.280 50 1 CGGF [C-]#[N+]C1=C(C)N=C(C)[C@H](C#N)[C@H]1c1cc2c(N)nccc2o1 169698720 UNZVZFYMTAXDSR-FZMZJTMJSA-N 291.314 3.259 50 1 CGGF N#C/C(=C\c1ccc(F)cc1)n1nc2ccccc2n1 6584415 LVZQLWOGDAMLGK-UKTHLTGXSA-N 264.263 3.092 50 1 CGGF CCCCSC1=C(C#N)C(=O)N[C@H](c2ccco2)S1 6720941 JBQVHJXBEWDYBK-LBPRGKRZSA-N 294.401 3.410 50 1 CGGF Cc1cncc2nc([C@H](Br)C(C)(C)F)[nH]c12 587086551 CUTUTZMVXMIWBT-VIFPVBQESA-N 286.148 3.450 50 1 CGGF COc1ccnc(-c2nc3cc(N=C=S)ccc3[nH]2)c1 169321326 JMVBEFIBGYCHRQ-UHFFFAOYSA-N 282.328 3.368 50 1 CGGF CC(C)CN(C#N)NC(=O)O[C@@H](C)CC1CCCCC1 28473989 NELPDVCWKXPKOW-ZDUSSCGKSA-N 281.400 3.426 50 1 CGGF CCCc1c(O)ccc2c1O[C@](C)(CCl)CC2=O 587461735 YHBOHRHGQCWKHI-AWEZNQCLSA-N 268.740 3.307 50 1 CGGF C[C@H](Br)c1nc2ccnc(Cl)c2[nH]1 587008029 FXUPBOXPBMSIOW-BYPYZUCNSA-N 260.522 3.067 50 1 CGGF CC1=Nc2ccccc2/C1=C/NNC(=O)c1ccccc1 104046391 IUAKUUIYBWFAOD-RVDMUPIBSA-N 277.327 3.068 50 3 CGGF C/C=C(\CO)C(=O)OC/C=C\SS[C@H](C)CC 221088194 CYUXEJLWTIKXHP-BXVRKWAJSA-N 276.423 3.162 50 1 CGGF CCO/C(O)=C(/C=CC=O)Sc1ccccc1 1857536654 DEKPHXXKFKDTHL-VQFFRSIASA-N 250.319 3.297 50 1 CGGF N#C/C(=C/c1ccccc1)c1nc2cc(F)cnc2[nH]1 587188348 QIZGCGNJOGRWMD-WDZFZDKYSA-N 264.263 3.161 50 1 CGGF Fc1ccc2nc([C@@H](Cl)CCl)[nH]c2c1F 587007947 JIYFSHKSIZYMQA-BYPYZUCNSA-N 251.063 3.360 50 1 CGGF O=C(NNCCCc1ccccc1)c1cc2ccccc2[nH]1 39930464 GCVSZQAHQHZFDQ-UHFFFAOYSA-N 293.370 3.035 50 1 CGGF COC(C)(C)[C@@H](Br)c1nc2cc(C)cnc2[nH]1 586971256 PFZHHEQMBASESL-VIFPVBQESA-N 298.184 3.127 50 1 CGGF Cc1ccc(/C=C(/C#N)c2nc3cnc(Cl)[nH]c-3n2)cc1 587187349 FGDFWNAGICCZND-WDZFZDKYSA-N 295.733 3.331 50 1 CGGF CC[C@@]1(CBr)CC(=O)c2cc(C)cc(N)c2O1 587374650 PJKHMHHCKUAJHA-ZDUSSCGKSA-N 298.180 3.086 50 1 CGGF Clc1ccc2nc(/C=C\CBr)[nH]c2n1 586973793 OQFXZPDHPMLGNC-UPHRSURJSA-N 272.533 3.019 50 1 CGGF CSc1ccc(NC(=O)/C(C#N)=C(\O)C2CC2)cc1 100784942 PAPZZFLSEFERGG-SEYXRHQNSA-N 274.345 3.093 50 1 CGGF CCCCNC(=O)/C(C#N)=C/c1c(C)[nH]c2ccccc12 40953682 HDZKHBWZTWDEPL-JLHYYAGUSA-N 281.359 3.300 50 1 CGGF CCCC[C@@H]1C(=O)O[C@@H]2OC(C)(C)OO[C@@]23CCCC[C@@H]13 58503032 RBKOVVKPAGZLCR-CAVOSLQRSA-N 298.379 3.319 50 1 CGGF C[C@@H](CO)[C@@H]1CC[C@@H](C)[C@@H]2CC[C@]3(C)CC[C@]12OO3 43682994 ZRQGUJCIFRGMKT-GWNLFYIMSA-N 268.397 3.310 50 1 CGGF C[C@H](Br)c1nc2cc(F)c(F)cc2[nH]1 587009016 RJSAFPCVVOSKIT-BYPYZUCNSA-N 261.069 3.297 50 1 CGGF C=C1CCC=C(C)C[C@@H]2OC(=O)C(=C)[C@H]2C[C@@H]1OO 2356703808 VJRAEZGZDCGNTL-RDBSUJKOSA-N 264.321 3.019 50 1 CGGF CCCCCCC[C@@H](O)/C=C/C#CC#C/C=C/C=O 238764405 BQSLICDMKBSZHO-CTBQESGLSA-N 258.361 3.026 50 1 CGGF S=C=Nc1ccc2[nH]c(-c3cscn3)nc2c1 169321344 GPTJMZGPJKBFAQ-UHFFFAOYSA-N 258.331 3.421 50 1 CGGF BrCCCCc1nc2cc3cn[nH]c3cc2[nH]1 586972112 GPXPXASALUUXCO-UHFFFAOYSA-N 293.168 3.157 50 1 CGGF CCOC(=O)[C@H](Cl)c1[nH]c2cc(F)ccc2c1C 587632815 RFQYYNLDTBGCAU-LLVKDONJSA-N 269.703 3.458 50 1 CGGF C[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 169296950 LTMHSJHRBJNEIZ-HQOLVEMTSA-N 282.380 3.257 50 1 CGGF C[C@@]1(CSc2ccccc2)OO[C@@H]2C[C@@H]1CC[C@@]2(C)O 103006577 OIGMNEOVBPJXIP-XZDPQHSOSA-N 294.416 3.419 50 1 CGGF C[C@H]1CCCN(C/C(O)=C(\C#N)c2nc3ccccc3[nH]2)C1 101670979 UWUUJDPSCIJHMU-OFEBGVABSA-N 296.374 3.087 50 1 CGGF CSc1cccc(/C=N/NC(=O)c2cccc(C)c2)c1 103172737 FVGMFEBMJSIWAG-GZTJUZNOSA-N 284.384 3.481 50 1 CGGF C=C1C[C@](c2ccccc2)([C@H](C)Br)OC1=O 1911583494 GWSCLOQKUSZCAL-GXFFZTMASA-N 281.149 3.168 50 1 CGGF Cc1ccc(/C=C(/C#N)c2nc3nc(Cl)c[nH]c-3n2)cc1 587187040 AXKSKRGJZDFFFD-WDZFZDKYSA-N 295.733 3.331 50 1 CGGF O=C(N/N=C/Cc1ccccc1)c1cc2ccccc2[nH]1 1857592620 NZFFGSYJKOUEHQ-WOJGMQOQSA-N 277.327 3.126 50 1 CGGF Clc1cc2nc(/C=C/CBr)[nH]c2cn1 586974303 VFVVKCDDCWWWDU-OWOJBTEDSA-N 272.533 3.019 50 1 CGGF Cc1cccc(/C=N/NC(=O)c2ccc(Cl)cc2)c1O 175649 NVYKERQTNGMWCH-RQZCQDPDSA-N 288.734 3.118 50 1 CGGF Cc1c(CNC(=O)CCl)[nH]c2cc(Cl)c(F)cc12 587628006 FFLKMZWPVCRKQX-UHFFFAOYSA-N 289.137 3.124 50 1 CGGF C=CCc1c(CCl)[nH]c2ccc(S(C)(=O)=O)cc12 587648847 IITSUBJEZRPQDP-UHFFFAOYSA-N 283.780 3.039 50 1 CGGF COc1cc2c3c(c1)O[C@@H](C(C)(C)CCl)[C@@H](C2)C3=O 587421931 OKGIJMDNHJVGOH-IINYFYTJSA-N 280.751 3.076 50 1 CGGF N#CC1=C(N)Oc2ccccc2[C@@H]1CC(=O)c1ccccc1 1857655042 IOPNHJNVGRHMKY-AWEZNQCLSA-N 290.322 3.129 50 1 CGGF C=C1C[C@@](CBr)(c2ccc(C)cc2)OC1=O 1911572092 LJMMJXDIDCNTCL-CYBMUJFWSA-N 281.149 3.088 50 1 CGGF O=C(Cl)COCC(=O)c1coc2ccc(Cl)cc12 587276232 OBXVHRAEKUMANN-UHFFFAOYSA-N 287.098 3.051 50 1 CGGF CCCN(C#N)NC(=O)O[C@@H](C)CC1CCCCC1 28473776 ZXUHJEHDBVTYRN-LBPRGKRZSA-N 267.373 3.180 50 1 CGGF COc1cc2nc(/C(C#N)=C\c3ccc(C)cc3)[nH]c2cn1 587188881 XWWMIWDRRLBMLH-QPEQYQDCSA-N 290.326 3.339 50 1 CGGF CN1CCc2c(Br)cccc2[C@@H]1CCl 963281690 UZJPEULKVKDDCC-NSHDSACASA-N 274.589 3.217 50 1 CGGF CC(=O)O[C@@H]1OC=C[C@]12CC1=C[C@@H](OO)CC[C@@H]1C2(C)C 2356800299 PXCWZNWKOPOIHV-YXWQFLTLSA-N 294.347 3.030 50 1 CGGF Cc1[nH]c2cccc(F)c2c1NC(=O)[C@H](C)Cl 587632294 IWWXCKKBUZHPGK-LURJTMIESA-N 254.692 3.181 50 1 CGGF Cc1c(F)ccc2c1[C@](C)(C(Cl)Cl)NCC2 962094414 SKDZZYYSIXNRAJ-GFCCVEGCSA-N 262.155 3.299 50 1 CGGF Cc1cc(C)c2[nH]c(-c3ccc4c(c3)C(=O)OC4=O)nc2c1 586907197 UWDWJFFWZCKYHJ-UHFFFAOYSA-N 292.294 3.157 50 1 CGGF CCCC[C@H]1C(=O)O[C@H]2OC(C)(C)OO[C@@]23CCCC[C@H]13 43327985 RBKOVVKPAGZLCR-UNIGVISCSA-N 298.379 3.319 50 1 CGGF C/C(C#N)=C1/OC(c2ccc(C)cc2)=C(Cl)C1=O 1857611718 UOZHPWVZGQWYNI-LCYFTJDESA-N 259.692 3.299 50 1 CGGF C[C@H]1CCO[C@@H]2O[C@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]1[C@]24OO3 100973684 QGTNBZCODYOPJL-BBJIVYBFSA-N 282.380 3.258 50 1 CGGF COc1cc(/C=C/C=O)cc(OC)c1OCc1ccccc1 36432582 JZEMVIIHYVFXDH-RMKNXTFCSA-N 298.338 3.495 50 1 CGGF COC(=O)[C@@H](Cl)c1nc2cccc3c2c(c1C)CC3 587209422 PBQBEHDNHJCRPZ-ZDUSSCGKSA-N 275.735 3.095 50 1 CGGF CC(C)=CCC/C(C)=C/c1nc2ccc(C(=O)NN)cc2[nH]1 587967719 LYKROLRLVFSNLL-FMIVXFBMSA-N 298.390 3.316 50 1 CGGF Cl[C@H]1CCCCC[C@@]12NCCc1nc3ccccn3c12 962988366 NQUBYZKWLKGHHA-XJKSGUPXSA-N 289.810 3.247 50 1 CGGF CC[C@H](C)SSC=CCOC(=O)CC(C)(C)O 2356493062 JGSOKMZFTIETOS-JTQLQIEISA-N 278.439 3.384 50 1 CGGF C=C1CC[C@@H]2OC[C@@H]2CC[C@@H]2[C@@H]([C@@H]1OO)C2(C)C 2356549815 GEUBDECVHUNFDD-ZUWCUPBKSA-N 252.354 3.262 50 1 CGGF CCOC(=O)[C@H](Cl)c1[nH]c2cccc([N+](=O)[O-])c2c1C 587643643 HXJPRFJVLDEHNI-LLVKDONJSA-N 296.710 3.228 50 1 CGGF CC(=O)[C@]1(Cc2ccccc2)CC[C@]2(C)OO[C@@]1(C)O2 473082829 AEBHNNJFRJGCTG-ARFHVFGLSA-N 276.332 3.009 50 1 CGGF C=C(c1ccccc1)[C@@H]1COC2(CCC(C)(O)CC2)OO1 43491170 SEBQRKXXQUGSLC-GTPINHCMSA-N 290.359 3.068 50 1 CGGF Cc1ccc2nc(NCCBr)sc2c1 98083454 NKRLGXNTUYTCED-UHFFFAOYSA-N 271.183 3.412 50 1 CGGF Cc1ccc(/C=C(\C#N)c2nc3ccncc3[nH]2)cc1 587188365 QSMMVTOMTKAGQU-MDWZMJQESA-N 260.300 3.331 50 1 CGGF CC(C)(C)OOC(C#N)(C#N)Cc1ccc(Cl)cc1 95555120 CSLKQNNUSSHLEW-UHFFFAOYSA-N 278.739 3.415 50 1 CGGF C[C@H]1CCO[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 44004976 QGTNBZCODYOPJL-PTPFZMSRSA-N 282.380 3.258 50 1 CGGF COC[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587497144 HHRVDQPJADZALZ-INIZCTEOSA-N 294.778 3.155 50 1 CGGF CCC[C@@]12CC[C@H]3[C@H](C)CC[C@H]4CCO[C@@H](O1)[C@@]43OO2 195241355 ZZEYTEJYRRBBLR-FOLNQXHWSA-N 282.380 3.403 50 1 CGGF C=C[C@@](C)(O)CC/C=C(\C)C(=O)/C=C/C(C)(C)OO 213058121 IKNXPYDWPREFAY-QXGOTDITSA-N 268.353 3.043 50 1 CGGF CCc1[nH]c2cccc(F)c2c1NC(=O)CCl 587633079 QOGJCMSIPGQZMJ-UHFFFAOYSA-N 254.692 3.047 50 1 CGGF Cc1c(CBr)[nH]c2cccc([N+](=O)[O-])c12 587643345 DINZKQXTRXZTJF-UHFFFAOYSA-N 269.098 3.279 50 1 CGGF C=C1CCC=C(C)C[C@@H]2OC(=O)C(=C)[C@H]2C[C@H]1OO 2356703806 VJRAEZGZDCGNTL-MCIONIFRSA-N 264.321 3.019 50 1 CGGF NC(=O)c1c(F)ccc(OCCCCCCCl)c1F 1772583443 NDIHXPHASIWROG-UHFFFAOYSA-N 291.725 3.242 50 1 CGGF CC(C)[C@@H]1CC[C@](C)(N=C=S)[C@]2(O)CC[C@](C)(O)C=C12 2356780801 GNODDEQSJFIPCL-TUUVXOQKSA-N 295.448 3.116 50 1 CGGF CN(C)[C@@H](CCCl)COc1cncc(C(F)(F)F)c1 13819652 IELHPDSMWCOODP-JTQLQIEISA-N 296.720 3.038 50 1 CGGF O=C(NNC1CCC(c2ccccc2)CC1)c1ccncc1 169344637 FPKCUOBLQQQJRR-UHFFFAOYSA-N 295.386 3.042 50 1 CGGF c1ccc([C@@H]2OO[C@H](c3ccccc3)[C@H]3O[C@@H]23)cc1 42784553 LURRERAWCAPXOL-GEEKYZPCSA-N 254.285 3.198 50 1 CGGF COC(=O)c1cc2c3cc(SC#N)ccc3nc-2c[nH]1 100841516 FLTICUPGYVYGAM-UHFFFAOYSA-N 283.312 3.027 50 1 CGGF C=C(C(=O)OC)[C@@H]1CC[C@]2(C)CCCC(C=O)=C2C1 2356331914 VPIKHSFMIHXEBJ-WBMJQRKESA-N 262.349 3.201 50 1 CGGF C[C@H]1CCCC[C@@H]1c1cc(C(=O)NN)nc2ccccc12 299861493 IHKFNHOJSOAMSI-RYUDHWBXSA-N 283.375 3.132 50 1 CGGF CC[C@@H]1C[C@]2(CC)OC(=O)[C@]3(CC)OO[C@H](CC)[C@H]1[C@@H]23 2356642339 DDIVIPPIFILELB-SCQYSAAVSA-N 282.380 3.244 50 1 CGGF COC(C)(C)[C@H](Br)c1nc2ccc(O)cc2[nH]1 586971074 LRFCLADPMJNMLJ-SNVBAGLBSA-N 299.168 3.130 50 1 CGGF CC(C)CN(C(=O)NCCCl)C1CCCCC1 26403929 MBRZKRSUFFKYDR-UHFFFAOYSA-N 260.809 3.226 50 1 CGGF CC(C)[C@@H]1CC[C@](C)(NC=O)[C@H]2CC[C@](C)(OO)C=C12 2356792328 JPEINUQOKMQTFW-TUUVXOQKSA-N 281.396 3.142 50 1 CGGF CC(C)(C)c1cccc2nc([C@H](N)CCl)[nH]c12 587010394 JURZTHIKWXROKL-SECBINFHSA-N 251.761 3.099 50 1 CGGF CC(=O)n1c2ccccc2c(=S)n1CCCl 209982532 SLRJXPUWRXHESD-UHFFFAOYSA-N 254.742 3.071 50 3 CGGF C[C@H](Cl)c1cc2c(o1)C(=O)c1ccccc1C2=O 1857769607 OBFRUUZTJZREHL-ZETCQYMHSA-N 260.676 3.355 50 1 CGGF C=C[C@]1(C)CC[C@H]([C@H](C)C(=O)C=CC(C)(C)OO)O1 2356539679 WKCHNXVWJKIODW-UXIGCNINSA-N 268.353 3.140 50 1 CGGF CC1(C)[C@@H]2CC=C(/C=N/NC(=O)c3ccccc3O)[C@H]1C2 2049002 MHMOFKDAGZUTBJ-OSFMFMGJSA-N 284.359 3.100 50 1 CGGF C=C1C=C[C@H]([C@@H](C)CC=CC(C)(C)OO)C[C@@H]1O 2356425602 OZVHKBNOLDNDLO-UBHSHLNASA-N 252.354 3.330 50 1 CGGF N#Cc1cc(Cl)c2[nH]c(/C=C\CBr)nc2c1 586974684 YIKJQDAYFNWKHJ-UPHRSURJSA-N 296.555 3.496 50 1 CGGF CC[C@@H](C)[C@]1(CCl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587417856 QBNMLXSCCZMPLQ-ULMHFPJVSA-N 294.778 3.466 50 1 CGGF CCOP(=O)(OCC)/C(C#N)=C/c1ccc[nH]1 1628742 WDKQNUUCBXHMBW-DHZHZOJOSA-N 254.226 3.145 50 1 CGGF O=C(O)CCCCCC(=O)N/N=C/CCC1CCCCC1 95808658 PISOUAYAOXSATD-GHRIWEEISA-N 296.411 3.484 50 1 CGGF CC(C)(F)[C@@H](Br)c1nc2cc(F)cnc2[nH]1 587087793 UNTNQOAXFSHMIK-ZETCQYMHSA-N 290.111 3.281 50 1 CGGF Clc1cnc2[nH]c(CCCCBr)nc2c1 586971923 AQCRZNWVBKDTQS-UHFFFAOYSA-N 288.576 3.329 50 1 CGGF O=C(CCc1ccccc1)Oc1ccc([N+](=O)[O-])cc1 43409174 GYFYEPQCKDJYCF-UHFFFAOYSA-N 271.272 3.133 50 1 CGGF Cc1[nH]c2c(C(=O)O)cccc2c1CCCCl 587638868 RSNJXHRLTYHFAC-UHFFFAOYSA-N 251.713 3.346 50 1 CGGF O=C(Cl)c1cccc(C(=O)c2coc3ccccc23)n1 587280621 NHYVIDQLRLKAGN-UHFFFAOYSA-N 285.686 3.438 50 1 CGGF COc1ccc(OC(C)(C)C)n1-c1ccnc(CCl)n1 587939294 DBFIMEGFNUHRRA-UHFFFAOYSA-N 295.770 3.192 50 1 CGGF CCOC(=O)c1ccccc1SSc1n[nH]c(C)n1 103213030 QKBQAKNTIKOOFJ-UHFFFAOYSA-N 295.389 3.089 50 1 CGGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@H]2CC[C@H](C2)[C@H]1Cl 587383063 VCSFIMKIXBVIEY-SRDTZFQFSA-N 291.778 3.319 50 1 CGGF Cc1[nH]c2cc(F)ccc2c1NC(=O)[C@@H](C)Cl 587633036 WTTPUOQMDBWIHJ-ZCFIWIBFSA-N 254.692 3.181 50 1 CGGF O=C(CCCl)Nc1nc2c(s1)CCc1ccccc1-2 4187575 IEADUBQHHVDHKN-UHFFFAOYSA-N 292.791 3.476 50 3 CGGF CC1(C)[C@H](Cl)C[C@H]2OCC=C2[C@H]1Br 2356410975 VYPLPQJIJPJWGU-IWSPIJDZSA-N 265.578 3.112 50 1 CGGF C=C1CCC=C(C)C[C@@H]2OC(=O)C(=C)[C@@H]2C[C@@H]1OO 2356703805 VJRAEZGZDCGNTL-IHRRRGAJSA-N 264.321 3.019 50 1 CGGF CC(Nc1cc(C)ccn1)=C(C#N)C(=O)c1ccccc1 2356875574 ZRMHJFFSBGTQAB-UHFFFAOYSA-N 277.327 3.482 50 1 CGGF C[C@H]1C2(C)OOC1(C13CC4CC(CC(C4)C1)C3)OO2 473091445 YALNUHFAUNSRSS-VYGZZCQESA-N 266.337 3.175 50 1 CGGF FC(F)(F)c1cc2nc([C@@H](Cl)CCl)[nH]c2cn1 587007535 FLSZXJJGKCKJCN-BYPYZUCNSA-N 284.068 3.495 50 1 CGGF C[C@@H]1Oc2ccccc2C=C1/C=N/NC(=O)c1cccs1 1772649288 KFOUDDVEWANHIP-MUOOZZNISA-N 298.367 3.328 50 1 CGGF CC(C)(C)c1ccc(C(=O)N/N=C\c2ccccn2)cc1 13113533 QHQWMZSDTJJVKT-UNOMPAQXSA-N 281.359 3.143 50 1 CGGF BrCCCCc1nc2cc3c(cc2[nH]1)OCO3 586972088 GBDBKWPXQVOYNG-UHFFFAOYSA-N 297.152 3.009 50 1 CGGF Cc1ccc(C(=O)N/N=C/c2cccc(Cl)c2)c(O)c1 98082825 PVTHXULCSKDPTC-RQZCQDPDSA-N 288.734 3.118 50 1 CGGF ClC[C@H](Cl)c1nc2ccc(Br)nc2[nH]1 587008356 OCBRCCLOMXAYFP-BYPYZUCNSA-N 294.967 3.239 50 1 CGGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](CCl)(COC)N1 962950623 NYQFHYFVSRBNKN-MEDUHNTESA-N 292.810 3.173 50 1 CGGF CC1=C2C[C@]3(C)[C@@H](C)CCC[C@@H]3C[C@]2(O)OOC1 238778098 AGFJUBWRTFBUAS-MXYBEHONSA-N 252.354 3.190 50 1 CGGF CC1=CC(C)(C)C(C=O)=C[C@H]1OC(=O)CC(C)C 238783604 RJXSYVYVSLFPEY-CYBMUJFWSA-N 250.338 3.056 50 1 CGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CCCCl)O2 587373529 DTPFOCKALRXSDI-CQSZACIVSA-N 267.756 3.320 50 1 CGGF CC1=Nc2ccccc2/C1=C/NNC(=O)c1cc(C)oc1C 4470720 OYGZUYSBZCEBDI-OQLLNIDSSA-N 295.342 3.278 50 3 CGGF NC(=O)N/N=C1\C[C@H](c2ccccc2)Sc2ccccc21 1857607079 ITTGCIUJJOATTI-COYFKBPASA-N 297.383 3.296 50 1 CGGF O=C(N/N=C\[C@H]1CC=CCC1)c1ccc(Br)o1 15890323 PDJKTJRIVHHRDK-JNNKLVPLSA-N 297.152 3.114 50 3 CGGF O=C(CCCl)N1CCc2cc(-c3cccnc3)ccc21 169348866 QJSSVJLNTLVLGF-UHFFFAOYSA-N 286.762 3.267 50 1 CGGF C=C1CC[C@@](CBr)(c2ccccc2)OC1=O 1911583422 VBKFPHZXNLFRRL-CYBMUJFWSA-N 281.149 3.170 50 1 CGGF Clc1cnc2[nH]c(/C=C\CBr)nc2c1 586974446 WPVZIMXJJAWMEJ-UPHRSURJSA-N 272.533 3.019 50 1 CGGF ClC[C@H]1CC[C@H](c2nnn3cnc4[nH]ccc4c23)CC1 1772643655 SELXIMSDJDJEHK-MGCOHNPYSA-N 289.770 3.118 50 1 CGGF O=C(C[C@@H](Cl)C(=O)O)c1ccc(Cl)c(Cl)c1 13910720 SWODLSPIHPXDOI-MRVPVSSYSA-N 281.522 3.258 50 1 CGGF C=C(c1ccc(OC)cc1)[C@@H]1COC2(CCCC2)OO1 43099903 KCJOMSKAODIOTK-HNNXBMFYSA-N 276.332 3.326 50 1 CGGF Cc1cnc(Cl)c2[nH]c([C@H](C)Br)nc12 587007612 BFDNKCFAAAQCRR-YFKPBYRVSA-N 274.549 3.376 50 1 CGGF C[C@]12CCC[C@H](C1)[C@@](C)(CI)O2 27524982 XCGBVMYIVBKEPI-KXUCPTDWSA-N 280.149 3.159 50 1 CGGF Cc1ccc(/C=C(\C#N)n2nc3ccccc3n2)cc1 34072992 HTOQMMGVLOBROD-GXDHUFHOSA-N 260.300 3.261 50 1 CGGF Cc1cc2[nH]c([C@H](C)Br)nc2c(C)n1 587009036 SSLPDLAGDKWAHY-LURJTMIESA-N 254.131 3.031 50 1 CGGF O=NN(CCCl)C(=O)N[C@@H]1CCSc2ccccc21 4994136 YYNJYTGDJJPAFO-SNVBAGLBSA-N 299.783 3.155 50 1 CGGF O[C@H](CCl)CNc1ccc(Cl)cc1Cl 29126273 MYUZVLFJYQPSNW-SSDOTTSWSA-N 254.544 3.005 50 1 CGGF C=C1CC[C@@H]2C(=C)C(=O)O[C@@H]2C=C(C)CC[C@@H]1OO 2356657512 IXRHWRRLTANMPL-HZSPNIEDSA-N 264.321 3.019 50 1 CGGF Fc1cc(F)c2[nH]c(/C=C\CBr)nc2c1 586974239 TURJYFASMWMFFU-UPHRSURJSA-N 273.080 3.249 50 1 CGGF C=CCCCCC[C@@H](Cl)[C@@H](O)CC#CC#C[C@H](O)C=C 13386146 MORPELUWUARUFU-ZACQAIPSSA-N 294.822 3.035 50 1 CGGF in-man CCCCCc1cccc(NC(=O)NC(=O)CCl)c1 53299088 GNSAGJALWCCPTB-UHFFFAOYSA-N 282.771 3.306 50 1 CGGF C=CCN(C1=CCCCC1)[P@@](=O)(N1C[C@@H]1C)N1C[C@H]1C 299849277 CDXFMVBCUDQQAP-YKJDEZSWSA-N 295.367 3.449 50 1 CGGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCl)N1 587683475 HGHMTPZYNXCCSW-HZGVNTEJSA-N 292.579 3.402 50 1 CGGF CCOC(=O)Cc1c(CCl)[nH]c2cc(F)ccc12 587632651 OBBFEBHTEUXNKJ-UHFFFAOYSA-N 269.703 3.151 50 1 CGGF O=C(NCCCCN=C=S)OCc1ccccc1Cl 1857560669 HMUYNTCATKCHNM-UHFFFAOYSA-N 298.795 3.449 50 1 CGGF C=C[C@@H](O)C#CC#CC[C@H](O)[C@@H](Cl)CCCCCCC 85903632 PBNFQEYKZLUTLH-IKGGRYGDSA-N 296.838 3.259 50 1 CGGF in-man BrCc1nc2ccc3c(c2[nH]1)CCCC3 586972143 IAQOUJUZDASSCE-UHFFFAOYSA-N 265.154 3.337 50 1 CGGF O=C(O)[C@@H]1Cc2cccc(F)c2[C@H](CCCCCCl)N1 962904152 NSJGKDTUAZAOIT-STQMWFEESA-N 299.773 3.265 50 1 CGGF Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCCBr)O2 587375431 SFIXUQJIWRDFCG-SECBINFHSA-N 298.180 3.086 50 1 CGGF CCCOc1ccc(C(=O)C(Cl)Cl)cc1[N+](=O)[O-] 1857772159 ZUBSVSKZYQHTKX-UHFFFAOYSA-N 292.118 3.370 50 1 CGGF Cc1cc2[nH]c([C@H](C)Br)nc2cc1[N+](=O)[O-] 587009296 ZDMMUSXXWVCSPU-LURJTMIESA-N 284.113 3.235 50 1 CGGF Cc1ccc2nc(/C=C\CBr)[nH]c2c1 586973122 FPWUSKUSFXRBAP-IHWYPQMZSA-N 251.127 3.279 50 1 CGGF C=C(C(=O)O)[C@@H]1CC[C@]2(C)CCCC(=C)[C@]2(OO)C1 2356521667 HOXAMQHCKRIXPD-VHDGCEQUSA-N 266.337 3.402 50 1 CGGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@H]2CC[C@H](C2)[C@@H]1Cl 587383061 VCSFIMKIXBVIEY-JBNLSRPWSA-N 291.778 3.319 50 1 CGGF ClC[C@H](Cl)c1nc2cc(Br)cnc2[nH]1 587007556 FUNROCIGBAMOPN-YFKPBYRVSA-N 294.967 3.239 50 1 CGGF CN(C)C[C@@H](Br)c1ccc(F)c(Cl)c1 38921953 IIKMIRXOQRCUOR-MRVPVSSYSA-N 280.568 3.477 50 1 CGGF N#C/C(=C/c1ccccc1)c1nc2ccc(C#N)cc2[nH]1 587189217 ZVXXGMYAVPWMOQ-ZSOIEALJSA-N 270.295 3.499 50 1 CGGF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C(Cl)Cl)O2 587371957 IPONBNUYAWCRPJ-GFCCVEGCSA-N 274.147 3.105 50 1 CGGF CCOC(=O)[C@@H](Cl)c1cc2c3c(cccc3n1)CC2 587209215 KECSPUUQNVYAJY-AWEZNQCLSA-N 275.735 3.176 50 1 CGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C(Cl)Cl)O2 587371958 IPONBNUYAWCRPJ-LBPRGKRZSA-N 274.147 3.105 50 1 CGGF C[C@H](Br)c1nc2cc(Cl)cnc2[nH]1 587007521 ADLAZYOEFNMYNK-BYPYZUCNSA-N 260.522 3.067 50 1 CGGF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H](C)Br)O2 587376807 YCVDOFMTTJHZPO-ISVAXAHUSA-N 298.180 3.085 50 1 CGGF C=C(C)[C@@H](O)CCC(=C)[C@H]1COC2(CCCCC2)OO1 42784707 WCTXQKONDOZUKP-LSDHHAIUSA-N 282.380 3.267 50 1 CGGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCC[C@@H]1Cl)O2 587380293 CWIMCBQGENIYRZ-ZFWWWQNUSA-N 279.767 3.463 50 1 CGGF ClC[C@@H](Cl)c1nc2cc(Cl)ncc2[nH]1 587006990 AKFBMOWZRKYWDC-SCSAIBSYSA-N 250.516 3.130 50 1 CGGF CC[C@@]12CC[C@H]3[C@H](C)CC[C@H]4CCO[C@H](O1)[C@]43OO2 43888807 YOILOSTXXIBJEP-FSKVPOERSA-N 268.353 3.012 50 1 CGGF Cc1ccc(C(=O)NNc2c(C)cccc2C)cc1 653741212 QNONYSIWTKVDPH-UHFFFAOYSA-N 254.333 3.369 50 1 CGGF O[C@@H](CCl)CNc1ccc(Cl)c(Cl)c1 29126632 IPVPWMONHJTJLP-ZETCQYMHSA-N 254.544 3.005 50 1 CGGF ClC(Cl)C=C(Br)Br 85951886 YSDOFDQKYXYIPZ-UHFFFAOYSA-N 268.763 3.421 50 1 CGGF C=C[C@]1(C)CC[C@H]([C@H](C)[C@H]2C=CC(C)(C)OO2)O1 2356680711 RXXCFDMFXFGCML-KYEXWDHISA-N 252.354 3.411 50 1 CGGF CC(C=O)=CC=C[C@@]1(C)C=Cc2cc(O)ccc2O1 2356683552 ZLEMUDCAEPTXIK-INIZCTEOSA-N 256.301 3.258 50 1 CGGF C[C@@H]1CCC2=C1C=C1C(C)(C)OO[C@@]1(O)C[C@H]2C 72108591 WXNXTCLYINNSQL-FCHSOHFDSA-N 250.338 3.108 50 1 CGGF C[C@H](Br)c1nc2ccc(F)c(F)c2[nH]1 587009069 ULKRNDYGYCSGTR-BYPYZUCNSA-N 261.069 3.297 50 1 CGGF Cc1ccnc2[nH]c([C@H](Br)C(C)(C)F)nc12 587086539 CQRIUPXTDXNNKM-QMMMGPOBSA-N 286.148 3.450 50 1 CGGF CC[C@@]12CC[C@H]3[C@H](C)CC[C@@H]4CCO[C@H](O1)[C@@]34OO2 169338377 YOILOSTXXIBJEP-KYFQHEKYSA-N 268.353 3.012 50 1 CGGF N[C@H](CCl)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587010932 OLLKVKRBBDLUQX-ZCFIWIBFSA-N 298.095 3.474 50 1 CGGF Cc1ccc2nc(/C=C/CBr)[nH]c2c1 586973123 FPWUSKUSFXRBAP-NSCUHMNNSA-N 251.127 3.279 50 1 CGGF CC1(C)[C@H](Cl)[C@@H](O)C[C@@]2(C)CC(=CC=O)CC[C@H]12 2356626745 HWPNRSYBULQAQB-KYEXWDHISA-N 270.800 3.316 50 1 CGGF O=C(NCCCl)Nc1cccc(OC2CCCC2)c1 29047803 GLGGEWSRISQWPE-UHFFFAOYSA-N 282.771 3.368 50 1 CGGF N#C/C(=C/c1ccccc1)c1nc2cc3c(cc2[nH]1)OCO3 587187762 KWWFJTZZUJYWSP-SDQBBNPISA-N 289.294 3.356 50 1 CGGF CO[C@H]1CCC[C@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3 621477623 DWYLZLUEDHOJRH-KTLTXMRPSA-N 294.391 3.403 50 1 CGGF CCOC(=O)[C@@H](Cl)c1[nH]c2c(C(=O)O)cccc2c1C 587638829 RAESMHNORJWUIO-JTQLQIEISA-N 295.722 3.018 50 1 CGGF CCCC[C@@]1(C)C[C@H](CO)[C@](CCCC)(OC)OO1 103287395 KQXIDXGZOMPNNZ-QLFBSQMISA-N 274.401 3.429 50 1 CGGF CC(C)[C@]1(O)CC[C@](C)(N=C=S)[C@@H]2CC[C@](C)(O)C=C21 2356654289 ZUDSVIIZJCRBTA-SYAUCNOPSA-N 295.448 3.116 50 1 CGGF N#C/C(=C\c1ccccc1)c1nc2ccc(O)cc2[nH]1 587188545 SKZYCOBRRLXXRB-XYOKQWHBSA-N 261.284 3.333 50 1 CGGF Cc1cc[n+](C(C=C(C#N)C#N)=C(O)c2ccccc2)cc1 1857742424 YGNUZKMQKHAKFO-UHFFFAOYSA-O 288.330 3.140 50 1 CGGF CC1=C[P@@](=O)(c2ccccc2)C[C@H]1Br 64549363 FHSPRRPWDHWCFV-RISCZKNCSA-N 271.094 3.356 50 1 CGGF N#Cc1ccc2nc(CCCCBr)[nH]c2c1 586972062 DSVNFEUUCGPZQJ-UHFFFAOYSA-N 278.153 3.152 50 1 CGGF C=C[C@@](C)(O)CC=C[C@@](C)(CC(=O)C=C(C)C)OO 2356652278 VKKZYMLSLLRWLW-CABCVRRESA-N 268.353 3.043 50 1 CGGF COc1ccc2c(/C(C#N)=C/c3cccnc3)c[nH]c2n1 217036720 NJETXHOGHMMTEB-KPKJPENVSA-N 276.299 3.031 50 1 CGGF CCO/C(O)=C(\C#N)c1cc(C)c2ccccc2n1 101476164 XIAAPCZWEGBWCQ-NTCAYCPXSA-N 254.289 3.330 50 1 CGGF CC1(C)[C@H](Cl)C[C@@H]2OCC=C2[C@H]1Br 2356410973 VYPLPQJIJPJWGU-DJLDLDEBSA-N 265.578 3.112 50 1 CGGF CO[C@@H]1[C@@H]2O[C@H](OO)C=C2C(C)(C)[C@H]2CCC(C)=C[C@H]12 2356626368 VGOYYWQGZPKAAU-ZYDPBQMLSA-N 280.364 3.155 50 1 CGGF c1ccc(CC2CCC3(CC2)OOCCCOO3)cc1 43606148 FKJZDFDCAKJVLC-UHFFFAOYSA-N 278.348 3.416 50 1 CGGF O=C=Nc1ccc(Nc2ccc([N+](=O)[O-])cc2)cc1 5420893 QSGQZDCTAJVFHA-UHFFFAOYSA-N 255.233 3.306 50 1 CGGF Cc1ccc(/C=C(\C#N)c2nc3cc(F)cnc3[nH]2)cc1 587188883 XZLSGGUPOOSKCU-WUXMJOGZSA-N 278.290 3.470 50 1 CGGF OCC12CC3C[C@@H](C1)C1(OOC4(CCCCC4)O1)[C@H](C3)C2 49777065 BINIRIGZTGEDBI-PCQUJAHOSA-N 294.391 3.140 50 1 CGGF ClC[C@@H](Cl)c1nc2cc(Cl)cnc2[nH]1 587007914 IOERZAFUMRWZPN-RXMQYKEDSA-N 250.516 3.130 50 1 CGGF COc1cc2c3c(c1)O[C@@](CCl)(C(C)C)[C@@H](C2)C3=O 587417730 PGQKACWOKGUUHR-NHYWBVRUSA-N 280.751 3.076 50 1 CGGF Cc1ccc2c(c1)NC(=O)CCSSCCC(=O)N2 1643648 FQAFWMROYVTKMF-UHFFFAOYSA-N 296.417 3.047 50 1 CGGF CC1=C[P@](=O)(c2ccccc2)C[C@H]1Br 64549362 FHSPRRPWDHWCFV-BXUZGUMPSA-N 271.094 3.356 50 1 CGGF CC1(C)[C@H](Cl)[C@H](O)C[C@@]2(C)CC(=CC=O)CC[C@H]12 2356626746 HWPNRSYBULQAQB-RGCMKSIDSA-N 270.800 3.316 50 1 CGGF O=C1CC2(CCCCC2)C(=O)[C@H]1C[C@@H](Cl)CCl 28455872 YKXRHMZLMAFOKP-ZJUUUORDSA-N 277.191 3.331 50 1 CGGF O=C1OC(=O)c2cc(-c3nc4ccc(Cl)cc4[nH]3)ccc21 586906726 HAZNVTQAAFLPHT-UHFFFAOYSA-N 298.685 3.194 50 1 CGGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@@H]1Cl)O2 587380354 DKQVQGIQKHBQRU-JSGCOSHPSA-N 265.740 3.073 50 1 CGGF CC(C)=CCC/C(C)=C\c1nc2ccc(C(=O)NN)cc2[nH]1 587967731 LYKROLRLVFSNLL-XFXZXTDPSA-N 298.390 3.316 50 1 CGGF C=C1C(C)=C(C#N)C(=O)N1[C@@H]1CCCc2ccccc21 64470178 UAHOTIDIIAJTHZ-MRXNPFEDSA-N 264.328 3.260 50 1 CGGF C#C/C=C\C[C@@H](O)[C@@H](Cl)C/C=C\CC(=O)CCC 140646277 MMIAGHOBPFCKGD-WGRWPWBLSA-N 268.784 3.240 50 1 CGGF COC(C)(C)[C@H](Br)c1nc2ccc(C)nc2[nH]1 586970609 CVSHJEXIVIPNNI-SECBINFHSA-N 298.184 3.127 50 1 CGGF COc1cc2nc([C@@H](Cl)CCl)[nH]c2cc1F 587007529 FEPYCWUCWJMEON-YFKPBYRVSA-N 263.099 3.229 50 1 CGGF COc1cc(OC)cc(/C(C#N)=C/c2ccco2)c1 1772626625 PXCKWGMNQKNYED-XYOKQWHBSA-N 255.273 3.361 50 1 CGGF COC(C)(C)[C@H](Br)c1nc2c(C)ccnc2[nH]1 586971123 MFTLGKSHKFGNPB-SECBINFHSA-N 298.184 3.127 50 1 CGGF S=C=Nc1ccc2[nH]c(-c3cccnc3)nc2c1 169321296 YVSAJULAULNLSO-UHFFFAOYSA-N 252.302 3.359 50 1 CGGF Cc1c(F)ccc2c1[C@](CBr)(C1CC1)NCC2 962147753 QEQSEJXPOAELRD-AWEZNQCLSA-N 298.199 3.280 50 1 CGGF Cc1ccc(C[C@@]23CC[C@@]4(C)O[C@@]2(C)OO[C@@]3(C)O4)cc1 254093774 QONDSKDTDGBRGB-LNTUMIRASA-N 290.359 3.475 50 1 CGGF CCOC(=O)NN(C(=O)OCC)c1c(C)cc(C)cc1C 1858607 CEDACHUJMAIJLA-UHFFFAOYSA-N 294.351 3.236 50 1 CGGF O=C(OC1CSSC1)c1cc2ccccc2[nH]1 96283354 BLAGNGWLTRZWCO-UHFFFAOYSA-N 265.359 3.088 50 1 CGGF COC(C)(C)[C@H](Br)c1nc2cc(C)cnc2[nH]1 586971254 PFZHHEQMBASESL-SECBINFHSA-N 298.184 3.127 50 1 CGGF ClC[C@@H](Cl)c1nc2cc(Br)ncc2[nH]1 587007849 HSCWZGMYOIISEX-SCSAIBSYSA-N 294.967 3.239 50 1 CGGF CCOP(=O)(OCC)/C(C#N)=C/c1cc(O)ccc1O 1635046 RRILFFFQVPSWFW-XYOKQWHBSA-N 297.247 3.228 50 1 CGGF C=C1C(=O)O[C@@H]2/C=C(\C)CC[C@@H](OO)C(=C)CC[C@@H]12 64633485 IXRHWRRLTANMPL-CVZWCJCVSA-N 264.321 3.019 50 1 CGGF biogenic,in-vitro Cc1cc(F)c2[nH]c([C@H](C)Br)nc2c1 587008482 LOKBEILYKSMRHI-LURJTMIESA-N 257.106 3.466 50 1 CGGF N#C/C(=C/c1ccccc1)c1nc2ccc(CCO)cc2[nH]1 587187266 FPUZKPDUMPDFPH-GDNBJRDFSA-N 289.338 3.162 50 1 CGGF CCCCCC[C@@H](C)OC(=O)[C@@H](Br)C(C)=O 118202616 VRAOLSZYHSGPPO-KOLCDFICSA-N 293.201 3.241 50 1 CGGF CC(=O)O[C@H](C)CC[C@@]12OO[C@@H](C=C1C)CC2(C)C 43938764 KECLSDLNORDPRG-OSAQELSMSA-N 268.353 3.164 50 1 CGGF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCl)N1 587682970 FEOLAVWNEZXZKG-KGFZYKRKSA-N 292.579 3.402 50 1 CGGF O=C(N/N=C\CCc1ccccc1)c1ccccc1 13152057 YQBFBHSIZYCIDT-LGMDPLHJSA-N 252.317 3.035 50 1 CGGF O=C(N/N=C\c1cccc(F)c1)c1ccc2ncccc2c1 1857617799 PQYYLVNSWOHHCP-JAIQZWGSSA-N 293.301 3.138 50 1 CGGF C=CCOc1ccc(/C=C/C(=O)OCCCl)cc1 27654295 ACIRAYFAAXVDIU-VMPITWQZSA-N 266.724 3.047 50 1 CGGF O[C@H](CCl)CNc1ccc(Cl)c(Cl)c1 29126633 IPVPWMONHJTJLP-SSDOTTSWSA-N 254.544 3.005 50 1 CGGF COc1ccc2ccc(=O)oc2c1C=CC(C)(C)OO 2356421149 ATDXJDJBKABJRA-UHFFFAOYSA-N 276.288 3.083 50 1 CGGF COc1cc(OC)c(C(=CC=O)c2ccccc2)cc1O 2356582231 XUJPXFOWZHBZIJ-UHFFFAOYSA-N 284.311 3.040 50 1 CGGF CC1(C)O[C@@]2(CI)CCC[C@@H]1C2 27525098 FPHGIWXRSSQHRJ-SCZZXKLOSA-N 280.149 3.159 50 1 CGGF Cc1ccc(/C=N/NC(=O)c2cc3ccccc3[nH]2)cc1 167590496 AQWQHULFGGQISJ-WOJGMQOQSA-N 277.327 3.240 50 1 CGGF CCCC(=O)CC/C=C/C=C/C#CC#C/C=C/C=O 473097913 DICVCFSEDYIIBM-JHTNEVNSSA-N 254.329 3.010 50 1 CGGF O=C1CC2(CCCCC2)C(=O)[C@@H]1C[C@H](Cl)CCl 28455867 YKXRHMZLMAFOKP-VHSXEESVSA-N 277.191 3.331 50 1 CGGF C=C(c1ccc(C)cc1)[C@H]1COC2(CCC(=O)CC2)OO1 43523769 AFZHCTDLDHDVTE-MRXNPFEDSA-N 288.343 3.195 50 1 CGGF [C-]#[N+]C1=C(C)N=C(C)[C@H](C#N)[C@@H]1c1cc2c(N)nccc2o1 169698718 UNZVZFYMTAXDSR-SMDDNHRTSA-N 291.314 3.259 50 1 CGGF Fc1cc2[nH]c([C@H](Cl)CCl)nc2cc1-n1cccn1 587008906 RJEOBQIOZHFBTJ-SSDOTTSWSA-N 299.136 3.406 50 1 CGGF C=C1C[C@]2(CCc3ccccc3[C@H]2Br)OC1=O 1911581413 XIEYREVGNHVTSO-OCCSQVGLSA-N 293.160 3.311 50 1 CGGF C[C@@]12CCC[C@@H](C1)[C@](C)(CI)OO2 43393972 FGTDESKKRHEBHD-AEJSXWLSSA-N 296.148 3.091 50 1 CGGF CC(C)N(C#N)NC(=O)O[C@@H](C)CC1CCCCC1 28474460 YCYQOGPWUSMXGX-LBPRGKRZSA-N 267.373 3.178 50 1 CGGF CC(=O)[C@]1(Cc2ccc(C)cc2)CC[C@]2(C)OO[C@@]1(C)O2 473087933 MKUJUVAEOGCHON-GVDBMIGSSA-N 290.359 3.318 50 1 CGGF Cc1ccc(/C=C(\C#N)c2nc3cc(N)c(N)cc3[nH]2)cc1 587187104 BZDRQFJLSQNRHI-WUXMJOGZSA-N 289.342 3.100 50 1 CGGF COc1cc2c3c(c1)O[C@](CCl)(C1(C)CC1)[C@@H](C2)C3=O 587417331 LLORELYPRSRJJS-ZBEGNZNMSA-N 292.762 3.220 50 1 CGGF CC(C=O)=CCC[C@]1(C)C=Cc2cc(O)ccc2O1 2356556656 JMHTYVNKROVRNY-MRXNPFEDSA-N 258.317 3.482 50 1 CGGF Cc1cccc(C)c1NNC(=O)c1ccc(N(C)C)cc1 653721760 PKCICTDRHKUILO-UHFFFAOYSA-N 283.375 3.126 50 1 CGGF Fc1cc2nc([C@H](Cl)CCl)[nH]c2cc1F 587007355 CMJRJVROMVRRKJ-SCSAIBSYSA-N 251.063 3.360 50 1 CGGF N#CSCCOc1cccc(Br)c1 29544634 SGZYRGVLHCDTKP-UHFFFAOYSA-N 258.140 3.042 50 1 CGGF CC1(C)CN1P(=O)(NC1CCCCC1)N1CC1(C)C 44323058 RYPGELGSZBUQOM-UHFFFAOYSA-N 285.372 3.205 50 1 CGGF C#C[C@]12C=C(C#N)C(=O)C=C1c1c(Cl)cccc1CC2 473136332 PZXJIYHKQHDHJL-KRWDZBQOSA-N 279.726 3.322 50 1 CGGF Cc1cnc(Cl)c2[nH]c(/C=C\CBr)nc12 586974095 QOFAQYSGLPYZGS-IHWYPQMZSA-N 286.560 3.328 50 1 CGGF CC[C@@]12CC[C@H]3[C@H](C)CC[C@H]4CCO[C@@H](O1)[C@@]43OO2 195230686 YOILOSTXXIBJEP-MNQBEEPXSA-N 268.353 3.012 50 1 CGGF CC(C)(C(=O)Cl)C(=O)c1coc2cc([N+](=O)[O-])ccc12 587278962 CCCXIKBBHXBEAK-UHFFFAOYSA-N 295.678 3.315 50 1 CGGF Cc1cccc2nc(/C=C/CBr)[nH]c12 586972965 DIJYWPWLXVCWHX-ZZXKWVIFSA-N 251.127 3.279 50 1 CGGF O=C1C[C@@H](Cl)c2c1csc2Br 6018905 OXHYCYMFHGMELN-SCSAIBSYSA-N 251.532 3.377 50 1 CGGF Oc1ccc(N(CCCl)CCCl)cc1Cl 27556414 RMDUCVBPQMPUIA-UHFFFAOYSA-N 268.571 3.330 50 1 CGGF [C-]#[N+]C1=C(C)N=C(C)[C@@H](C#N)[C@H]1c1cc2c(N)nccc2o1 169698719 UNZVZFYMTAXDSR-RISCZKNCSA-N 291.314 3.259 50 1 CGGF Cc1cc[n+](/C(C=C(C#N)C#N)=C(/O)c2ccccc2)cc1 96933745 YGNUZKMQKHAKFO-ISLYRVAYSA-O 288.330 3.140 50 1 CGGF C=CCN(C1=CCCCC1)[P@@](=O)([N@]1C[C@@H]1C)[N@@]1C[C@@H]1C 1857743158 CDXFMVBCUDQQAP-ADGIFASQSA-N 295.367 3.449 50 1 CGGF c1ccc([C@H]2OO[C@@H](C3CCCCC3)[C@@H]3O[C@H]23)cc1 43693280 NRIWVEOBKDHIOV-QXSJWSMHSA-N 260.333 3.406 50 1 CGGF Cc1cc(N)c2c(c1)C(=O)C[C@H](C(C)(C)CCl)O2 587372532 MIQAJZNMZVOMKE-GFCCVEGCSA-N 267.756 3.176 50 1 CGGF COc1nccc2nc(/C(C#N)=C\c3ccc(C)cc3)[nH]c12 587187082 BTUGIBLBJWKWQG-LCYFTJDESA-N 290.326 3.339 50 1 CGGF O=C(N/N=C/C1CCCCC1)c1cc2ccccc2[nH]1 1911575058 ZBHWAURAEMDNKH-GZTJUZNOSA-N 269.348 3.464 50 1 CGGF CCOC(=O)Cc1c(CCl)[nH]c2cccc(F)c12 587632072 DHGVHLAJSIBQFI-UHFFFAOYSA-N 269.703 3.151 50 1 CGGF Cc1ccc([C@]2(C)CC[C@H](C(C)(C)O)OO2)cc1 1617732 FCQCSKGBKUYFSW-HIFRSBDPSA-N 250.338 3.092 50 1 CGGF biogenic C=C[C@@]1(C)CC[C@@H]([C@H](C)C(=O)/C=C/C(C)(C)OO)O1 137045510 WKCHNXVWJKIODW-BSCSQGBWSA-N 268.353 3.140 50 1 CGGF O=C(N/N=C/c1ccccc1)c1ccc(-n2cccc2)cc1 40392272 WJZDJPLNAVEGHB-XMHGGMMESA-N 289.338 3.241 50 1 CGGF N[C@H](CCl)c1nc2cc(Cl)c(Cl)cc2[nH]1 587009858 CCXGTITYNVBLTB-ZCFIWIBFSA-N 264.543 3.108 50 1 CGGF CC1=CO[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]42OO3 195239589 UKXCIQFCSITOCY-VYYMVKLKSA-N 266.337 3.136 50 1 CGGF ClC[C@@]12N[C@@H](Cc3ccccc31)c1ccccc12 26013931 UOLSUAISTAABPY-JKSUJKDBSA-N 255.748 3.369 50 1 CGGF O=Cc1ccc(C2OOC(c3ccccc3)OO2)cc1 72173274 GKGNBTAKFSQDCE-UHFFFAOYSA-N 272.256 3.107 50 1 CGGF ClC[C@@H](Cl)c1nc2cncc(Cl)c2[nH]1 587008448 OVFBDQPPPLZIRY-SCSAIBSYSA-N 250.516 3.130 50 1 CGGF CC(=O)[C@@H](Br)c1cc2c3c(cccc3n1)CC2 587208308 PCNOUVQJNZLBOJ-CQSZACIVSA-N 290.160 3.358 50 1 CGGF ClC[C@H](Cl)c1nc2c(Cl)ccnc2[nH]1 587007542 FNEJCPNJLQNNIS-YFKPBYRVSA-N 250.516 3.130 50 1 CGGF CC(C)(F)[C@@H](Br)c1nc2cccc(O)c2[nH]1 587087182 MTCYCKPINQXSBV-VIFPVBQESA-N 287.132 3.453 50 1 CGGF COc1cc2nc([C@@H](Cl)CCl)[nH]c2cc1OC 587008535 PJKJHJZXKCTJSA-LURJTMIESA-N 275.135 3.099 50 1 CGGF C=CCN(C1=CCCCC1)P(=O)(N1C[C@H]1C)N1C[C@H]1C 299849276 CDXFMVBCUDQQAP-JYKSKYEUSA-N 295.367 3.449 50 1 CGGF Fc1cnc(Cl)c2[nH]c([C@@H](Cl)CCl)nc12 587008710 QSSBIQZXSAVVRD-VKHMYHEASA-N 268.506 3.269 50 1 CGGF C[C@@H]1CC(=O)C=C2CC[C@@H]([C@@](C)(O)CCl)C[C@]21C 238786860 KPYHTUZITCDCFL-DWZYQQQCSA-N 270.800 3.318 50 1 CGGF C=C[C@]1(C)CC[C@H]([C@@H](C)[C@H]2C=CC(C)(C)OO2)O1 2356680712 RXXCFDMFXFGCML-RGCMKSIDSA-N 252.354 3.411 50 1 CGGF BrC[C@@H]1Cc2nc3cccc4c3c(c21)CC4 587208047 KKAYZKMANASRSH-VIFPVBQESA-N 274.161 3.368 50 1 CGGF C[C@@H]1CC[C@H](OO)C2=CC(=O)[C@@H]3[C@@H](C3(C)C)[C@@]21C 2356495023 BMIGITXCSNEZHP-BOOWFZGHSA-N 250.338 3.062 50 1 CGGF N#C/C(=C\c1ccccc1)c1nc2cccc(C(=O)O)c2[nH]1 587187465 HTBQGPODPWQKHM-FMIVXFBMSA-N 289.294 3.325 50 1 CGGF CC(=O)c1ccc2nc(/C=C/CBr)[nH]c2c1 586974245 TYMHBDIIZZYSQB-NSCUHMNNSA-N 279.137 3.174 50 1 CGGF O=C1C[C@H](Cl)c2c1csc2Br 1658691 OXHYCYMFHGMELN-BYPYZUCNSA-N 251.532 3.377 50 1 CGGF O=C(N/N=C/c1ccccc1)c1cc(Cl)c(Cl)[nH]1 64539970 WOOSPAVCVYLPCO-VIZOYTHASA-N 282.130 3.085 50 1 CGGF CC1(C)[C@@H]2C=C(COO)CC[C@H]3O[C@@]3(C)CC[C@H]21 2356615136 WMKOXLOLBDIFPW-BHPKHCPMSA-N 252.354 3.406 50 1 CGGF C[C@]1(O)C[C@@H](CSC#N)O[C@@H](c2ccc(F)cc2)C1 40899136 HWEZADQPZOJSED-MJBXVCDLSA-N 281.352 3.011 50 1 CGGF O=[S@@](CCCCCN=C=S)Cc1ccccc1 96922907 MHXHWPLETMMTGN-QGZVFWFLSA-N 267.419 3.208 50 1 CGGF C=C(CC[C@@H](O)C(=C)C)[C@H]1COC2(CCCCC2)OO1 42784706 WCTXQKONDOZUKP-HUUCEWRRSA-N 282.380 3.267 50 1 CGGF C[C@]12CCC[C@@H](C1)[C@](C)(CI)OO2 100923367 FGTDESKKRHEBHD-GUBZILKMSA-N 296.148 3.091 50 1 CGGF C=C[C@]1(C)CC[C@H]([C@@H](C)C(=O)C=CC(C)(C)OO)O1 2356539677 WKCHNXVWJKIODW-NJZAAPMLSA-N 268.353 3.140 50 1 CGGF C[C@H]1CCO[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]42OO3 169337775 QGTNBZCODYOPJL-IZNMMPHHSA-N 282.380 3.258 50 1 CGGF CC[C@H]1CO[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 169339064 FXHWCKGQFFBYHP-UQYNZRTDSA-N 282.380 3.258 50 1 CGGF N#C/C(=C\c1ccccc1)c1nc2cc3c(cc2[nH]1)OCO3 587187764 KWWFJTZZUJYWSP-WUXMJOGZSA-N 289.294 3.356 50 1 CGGF C=C/C(O)=C(\C#N)C(=O)Nc1ccc(C(F)(F)F)cc1 100785235 UOMILQYBGRCGMX-KHPPLWFESA-N 282.221 3.166 50 1 CGGF CCSC1=C(C#N)C(=O)n2c1cc1c2CCCC1 259225 BBWNVXBQSLSVLW-UHFFFAOYSA-N 258.346 3.008 50 3 CGGF CCCCN(NC(=O)c1ccccc1)C(=O)c1ccccc1 103186062 JPCINQVIGWHSIZ-UHFFFAOYSA-N 296.370 3.274 50 1 CGGF COc1ccc(/C=C(\C=O)c2ccc(OC)cc2)cc1 27555493 JNJRNGOJRZCFRF-RVDMUPIBSA-N 268.312 3.443 50 1 CGGF CC1=CO[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]42OO3 59128444 UKXCIQFCSITOCY-OJVJDFQCSA-N 266.337 3.136 50 1 CGGF C[C@]1(CI)C[C@H]2CCCC[C@H]2O1 27524981 GRAPDIZTOANYFS-OPRDCNLKSA-N 280.149 3.159 50 1 CGGF C=C1CCC=C(COOC(C)=O)C(=O)C[C@H]2[C@@H]1CC2(C)C 2356675049 FIBPQNOQMZOJAV-CABCVRRESA-N 292.375 3.379 50 1 CGGF N#CC(C#N)=C1CCCCc2ccc([N+](=O)[O-])cc21 1659255 QJBUUFXCZZAXPD-UHFFFAOYSA-N 253.261 3.122 50 1 CGGF CC(C)=C(C#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1 103181058 JQHPFGDZGAUCGV-JTQLQIEISA-N 262.740 3.377 50 1 CGGF Cc1c(F)ccc2nc([C@H](C)Br)[nH]c12 587009180 VSUJBQIKSBKYGF-LURJTMIESA-N 257.106 3.466 50 1 CGGF CC1(C)CC(=O)C[C@@H]2C(=O)O[C@]3(C)CC[C@@]21C[C@H]3Cl 2356457616 VTUJLRHZGOPGRK-YIKOMLBNSA-N 284.783 3.085 50 1 CGGF ClC[C@H](Cl)c1nc2cc(Cl)cnc2[nH]1 587007916 IOERZAFUMRWZPN-YFKPBYRVSA-N 250.516 3.130 50 1 CGGF COc1ccc2nc(/C(C#N)=C/c3ccc(C)cc3)[nH]c2n1 587188904 YFHPYGLILBOFAI-UKTHLTGXSA-N 290.326 3.339 50 1 CGGF C[C@@]12CC[C@H]3[C@@](C)(OO[C@]3(c3ccc(Cl)cc3)O1)O2 103022765 AZCHERWIRLIVAS-FQUUOJAGSA-N 282.723 3.344 50 1 CGGF O=C(N/N=C/c1ccccc1)c1cc(-c2ccccc2)on1 1911583326 BLBJIZKUMWFYEE-LDADJPATSA-N 291.310 3.106 50 1 CGGF Cc1c(F)ccc2nc(/C=C\CBr)[nH]c12 586974081 QGOUHOQRBWLPSK-IHWYPQMZSA-N 269.117 3.419 50 1 CGGF COc1cc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)ccc1O 1857623203 PTCJOUIYZWHSJX-UHFFFAOYSA-N 296.282 3.373 50 1 CGGF Cc1ccc(Oc2ccc(/C=N/NC(N)=O)cc2)cc1C 27315522 KXWLCZMCPCGOBD-VCHYOVAHSA-N 283.331 3.098 50 1 CGGF C=C[C@]1(C)CC[C@H]([C@@H](C)[C@@H]2C=CC(C)(C)OO2)O1 2356680710 RXXCFDMFXFGCML-GUIRCDHDSA-N 252.354 3.411 50 1 CGGF CCC[C@@]12CC[C@H]3[C@H](C)CC[C@@H]4CCO[C@H](O1)[C@]34OO2 100863238 ZZEYTEJYRRBBLR-BKQXGZDCSA-N 282.380 3.403 50 1 CGGF CC(C)C1=C[C@H](OO)[C@]2(C)OO[C@H]1[C@H]1[C@@H]2CC[C@H]1C 137634287 VUWOTUVAJXTKIV-UDYJRIAMSA-N 268.353 3.192 50 1 CGGF COc1ccc(Cl)cc1C#Cc1cnn(CCl)c1 587908795 BXNNGVGVTRTTCM-UHFFFAOYSA-N 281.142 3.141 50 1 CGGF CC1(C)C[N@@]1[P@](=O)(Nc1ccccc1)[N@@]1CC1(C)C 1857564390 ASGZNDMZHUIARK-IZZQQSIFSA-N 279.324 3.395 50 1 CGGF COc1ccc(COc2ccccc2/C=C/C=O)cc1 29489202 OKCLUFYAXACZGX-GQCTYLIASA-N 268.312 3.486 50 1 CGGF C=C[C@@](C)(O)CCC=C(C)C(=O)C=CC(C)(C)OO 2356589512 IKNXPYDWPREFAY-OAHLLOKOSA-N 268.353 3.043 50 1 CGGF O=C(O)CCCCCCC(=O)NN=C1CCCCCC1 95809336 MRDUHKJSRKONKB-UHFFFAOYSA-N 282.384 3.238 50 1 CGGF COC(=O)N/N=C/c1cc(N=Nc2ccccc2)ccc1O 299846751 RAEKCVZSNRQCEK-ADMDXRAWSA-N 298.302 3.498 50 1 CGGF FC(F)(F)c1cnc2[nH]c([C@@H](Cl)CCl)nc2c1 587007517 DXAYBECZYPZELV-YFKPBYRVSA-N 284.068 3.495 50 1 CGGF Cc1cc(C)c(NC(=O)N(CCCl)N=O)c(C)c1 4946159 FBUJDSPUSQUDOE-UHFFFAOYSA-N 269.732 3.366 50 1 CGGF ClCc1ccc(Cn2cnc3c(Cl)ncnc32)cc1 103286640 WLJFOTSEPCLQLR-UHFFFAOYSA-N 293.157 3.267 50 1 CGGF CCN(CC)CCOC(=O)[C@](C)(CCl)c1ccccc1 27435703 HNFMQMJPKNONAU-MRXNPFEDSA-N 297.826 3.068 50 1 CGGF O=[N+]([O-])c1ccccc1SSc1ncccn1 1857752343 ADRGABKQRZRTKB-UHFFFAOYSA-N 265.319 3.184 50 1 CGGF Cc1ccc(/C=N/NC(=O)/C=C/c2ccccc2)cc1 1857759463 ARWOPPLPITUSEC-RZMWGWOTSA-N 264.328 3.159 50 1 CGGF N#C/C(=C\c1ccc(O)c(O)c1)C(=O)c1ccc(F)cc1 13822328 ALUHXQXQTNRXQL-KPKJPENVSA-N 283.258 3.027 50 1 CGGF CCC[C@@H](N=C=S)P(=O)(OCC)OCC 72141319 GOELXFKSURDEAV-VIFPVBQESA-N 251.288 3.482 50 1 CGGF CCc1[nH]c2cccc([N+](=O)[O-])c2c1CCCl 587644805 OLCCGACIAAUSDB-UHFFFAOYSA-N 252.701 3.420 50 1 CGGF Cc1ccc(/C=C(\C#N)c2nc3ccc(CO)cc3[nH]2)cc1 587188244 QALXTVHPEJJQGG-OVCLIPMQSA-N 289.338 3.428 50 1 CGGF COC(=O)/C(C#N)=C/c1ccc(/C=C/c2ccccn2)cc1 40525738 RTSXZTUPJDTHHB-HMSDUJDUSA-N 290.322 3.332 50 1 CGGF S=C=Nc1ccc2oc(-c3cnccn3)nc2c1 141098800 BHIBXRYKXSQUSN-UHFFFAOYSA-N 254.274 3.019 50 1 CGGF CC1(C)CCC[C@@]2(C)[C@H]1CC=C(C=O)[C@@H]2C(=O)O 15147919 LRXXFRKMFULWQZ-ZOWXZIJZSA-N 250.338 3.049 50 1 CGGF biogenic,in-vitro CCCCC1(CCCC)C[C@@H](CO)[C@](C)(OC)OO1 1857543400 RBWUSWIMCOKXCD-UONOGXRCSA-N 274.401 3.429 50 1 CGGF C=C1O[C@]23CCC(=O)[C@H]1[C@]2(C)[C@@H](C)CC[C@H]3Cl 13386040 YOFGZLBDSWEFIM-DRLPCLEQSA-N 254.757 3.292 50 1 CGGF S=C=Nc1ccnc(-c2nc3ccccc3[nH]2)c1 169321323 JTZXXXRVTSTLAY-UHFFFAOYSA-N 252.302 3.359 50 1 CGGF C=C[C@@](C)(O)CC=C[C@](C)(CC(=O)C=C(C)C)OO 2356652280 VKKZYMLSLLRWLW-HUUCEWRRSA-N 268.353 3.043 50 1 CGGF Cc1ccc2nc([C@@H](Br)C(C)(C)F)[nH]c2n1 587086886 ICEWFRLNLDEYTJ-MRVPVSSYSA-N 286.148 3.450 50 1 CGGF O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(CCl)nc21 38602620 DGEIESFDUFNUBS-UHFFFAOYSA-N 296.713 3.077 50 1 CGGF N#C/C(C(=O)Nc1ccc(C(F)(F)F)cc1)=C1\CCCO1 87722748 FTBWRJZZTASDBT-QXMHVHEDSA-N 296.248 3.232 50 1 CGGF C=CCc1cccc2nc(CBr)[nH]c12 586972045 CXIRMVRIFHVLNB-UHFFFAOYSA-N 251.127 3.186 50 1 CGGF N#C/C(=C/c1ccccc1)c1nc2nc(Cl)c[nH]c-2n1 587188235 ORADZYMYRPATKO-POHAHGRESA-N 281.706 3.022 50 1 CGGF CCC[C@@]1(CCl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587418114 RVWGSNDKQDBJKP-ABAIWWIYSA-N 280.751 3.220 50 1 CGGF C[C@@H]1CCC[C@]2(C)C[C@H]3OO[C@@]12C=C3C(C)(C)OO 2356420022 MANNKSPVIMNEML-LTZCYQRMSA-N 268.353 3.480 50 1 CGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H](C)Br)O2 587376809 YCVDOFMTTJHZPO-OQPBUACISA-N 298.180 3.085 50 1 CGGF CC1(C)C(C(=O)NNc2cccc3ncccc23)C1(C)C 40957581 FMLCYNUMLDNELW-UHFFFAOYSA-N 283.375 3.360 50 1 CGGF C=C(C)[C@H]1OO[C@]2(O[C@H]1C)[C@H]1CC3C[C@@H](C1)C[C@H]2C3 1857544569 FDVWRLAYGRZRQX-GFKNIKNISA-N 264.365 3.450 50 1 CGGF COc1ccc2nc(CCCCBr)[nH]c2c1 586972432 QUGLPFHDLJGEBZ-UHFFFAOYSA-N 283.169 3.289 50 1 CGGF O=C(c1coc2cc([N+](=O)[O-])ccc12)[C@@H](Cl)CCl 587280547 ZPWPEULSRVUMRQ-VIFPVBQESA-N 288.086 3.370 50 1 CGGF C=CCN(C1=CCCCC1)P(=O)(N1C[C@@H]1C)N1C[C@@H]1C 169344920 CDXFMVBCUDQQAP-FYPKLITBSA-N 295.367 3.449 50 1 CGGF C[C@@H](Cl)c1cc2c(o1)C(=O)c1ccccc1C2=O 1857769605 OBFRUUZTJZREHL-SSDOTTSWSA-N 260.676 3.355 50 1 CGGF C=C1CCC=C(COOC(C)=O)C(=O)C[C@@H]2[C@H]1CC2(C)C 2356675052 FIBPQNOQMZOJAV-LSDHHAIUSA-N 292.375 3.379 50 1 CGGF CCC[C@]12CC[C@H]3[C@H](C)CC[C@@H]4CCO[C@H](O1)[C@]34OO2 43328139 ZZEYTEJYRRBBLR-VJQRDGCPSA-N 282.380 3.403 50 1 CGGF N#Cc1ccc2c(C(=O)C(Cl)Cl)coc2c1 587278931 XFSJFFWGDLUVHT-UHFFFAOYSA-N 254.072 3.291 50 1 CGGF CC(=O)[C@@]1(Cc2ccc(C)cc2)CC[C@]2(C)OO[C@@]1(C)O2 473087932 MKUJUVAEOGCHON-BBWFWOEESA-N 290.359 3.318 50 1 CGGF Clc1cc2nc(CBr)[nH]c2nc1Cl 586970773 GMMQJZIJKACYBS-UHFFFAOYSA-N 280.940 3.160 50 1 CGGF CCc1[nH]c2c(C(=O)O)cccc2c1CCCl 587637550 CMYOEMSMJOKPDN-UHFFFAOYSA-N 251.713 3.210 50 1 CGGF Cc1cncc2nc([C@@H](Br)C(C)(C)F)[nH]c12 587086550 CUTUTZMVXMIWBT-SECBINFHSA-N 286.148 3.450 50 1 CGGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(C1CCC1)O2 587370602 ANOHMWPHIBVEQA-HNNXBMFYSA-N 279.767 3.320 50 1 CGGF COc1nccc2nc(/C(C#N)=C\c3ccccc3)[nH]c12 587187064 CMTFZQOKLLAUGY-XFXZXTDPSA-N 276.299 3.031 50 1 CGGF CC1=NC(C)=C(C#N)[C@@H](c2cccc(F)c2F)[C@@H]1C#N 169723382 AHRSAJPRCMEHRW-RISCZKNCSA-N 271.270 3.460 50 1 CGGF CC(C)(C)[Si](C)(C)O[C@H]1CCO[C@@]1(O)c1ccccn1 195516178 PUSAAHHPPYTCSM-ZFWWWQNUSA-N 295.455 3.037 50 1 CGGF Clc1ccc2nc(CCCCBr)[nH]c2n1 586972066 FERDCUMWTGBECQ-UHFFFAOYSA-N 288.576 3.329 50 1 CGGF COc1cc2c3c(c1)O[C@](CCl)(C(C)(C)C)[C@@H](C2)C3=O 587418178 SIIQXLUYUNFWNC-ZBEGNZNMSA-N 294.778 3.466 50 1 CGGF CO[C@H]([C@H](C)O)[C@@H](C)CO[Si](C)(C)C(C)(C)C 2356528239 WEAQMQBKBLUICG-SRVKXCTJSA-N 262.466 3.040 50 1 CGGF CCCC[C@@H]1C(=O)O[C@H]2OC(C)(C)OO[C@@]23CCCC[C@H]13 195255322 RBKOVVKPAGZLCR-CQJJVWNLSA-N 298.379 3.319 50 1 CGGF O=[N+]([O-])c1cccc2nc(CCCCBr)[nH]c12 586972715 ZPLIVFIHWSLFEX-UHFFFAOYSA-N 298.140 3.189 50 1 CGGF Cc1cnc2[nH]c(/C(C#N)=C\c3ccccc3)nc2c1 587186949 BFTXULVAKFJGNY-JYRVWZFOSA-N 260.300 3.331 50 1 CGGF C/N=C(/S)[C@@]1(c2cccnc2)CCCC/C1=C\C#N 13589992 LWTCBXRRMCNODK-BLMSOEDDSA-N 271.389 3.301 50 1 CGGF C=C1C(=O)O[C@H]2CC(C)=CCCC(=C)[C@H](OO)C[C@@H]12 2356703807 VJRAEZGZDCGNTL-MJBXVCDLSA-N 264.321 3.019 50 1 CGGF O=C(NNc1c(Cl)cncc1Cl)[C@@H]1C[C@@H]2C=C[C@H]1C2 84652571 OIQIOAQFPYPNCP-HRDYMLBCSA-N 298.173 3.044 50 1 CGGF C[C@@H]1CCC[C@@H]2C[C@@]3(O)OOC(C)(C)C3=C[C@]12C 2356401948 UUSCHOCDYWYUOQ-YIKOMLBNSA-N 252.354 3.188 50 1 CGGF C=C1C=C[C@@H]([C@@H](C)C/C=C/C(C)(C)OO)C[C@@H]1O 85872859 OZVHKBNOLDNDLO-LXFOLDAESA-N 252.354 3.330 50 1 CGGF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H](C)Br)O2 587376804 YCVDOFMTTJHZPO-AMIZOPFISA-N 298.180 3.085 50 1 CGGF COc1nccc2nc(/C(C#N)=C/c3ccc(C)cc3)[nH]c12 587187087 BTUGIBLBJWKWQG-UKTHLTGXSA-N 290.326 3.339 50 1 CGGF Cc1cncc2nc(/C(C#N)=C\c3ccccc3)[nH]c12 587188184 OFHLGZSBBSJVFV-QPEQYQDCSA-N 260.300 3.331 50 1 CGGF O=C(Cl)CCC(=O)c1coc2cc([N+](=O)[O-])ccc12 587280056 ZJXZLWAGDZJQRH-UHFFFAOYSA-N 281.651 3.069 50 1 CGGF COc1ccc(Cl)cc1C#Cc1cnc(CCl)nc1 587908398 TYKBNEFWHMSADR-UHFFFAOYSA-N 293.153 3.277 50 1 CGGF Cc1nn2c(O)cc(CCl)nc2c1-c1ccccc1 8730789 QEFSIACXFBQDSP-UHFFFAOYSA-N 273.723 3.149 50 1 CGGF CO[C@@H]1O[C@@]2(C)CC[C@H]3CC(C)(C)CC[C@]31OO2 43328091 CSJORYNQUHVXHL-UNJBNNCHSA-N 256.342 3.012 50 1 CGGF C=C(c1ccc(F)cc1)[C@@H]1COC2(CCCC2)OO1 43100477 CZHFEFAMRPTVQS-AWEZNQCLSA-N 264.296 3.456 50 1 CGGF CCOC(=O)c1c(CCl)[nH]c2cc(F)ccc12 587632801 QMUHKVVRSPOUQF-UHFFFAOYSA-N 255.676 3.223 50 1 CGGF C=CCN(C1=CCCCC1)[P@@](=O)([N@]1C[C@@H]1C)[N@@]1C[C@H]1C 1857743161 CDXFMVBCUDQQAP-QWTFIASOSA-N 295.367 3.449 50 1 CGGF C#CC=CC[C@H](Cl)[C@H]1CCC(=O)C=C[C@@H](CC)O1 2356485663 OQCPIRSOVPXDNM-QLFBSQMISA-N 266.768 3.256 50 1 CGGF FC(F)(F)c1cnc2[nH]c([C@H](Cl)CCl)nc2c1 587007516 DXAYBECZYPZELV-RXMQYKEDSA-N 284.068 3.495 50 1 CGGF N#C/C(C(=O)Nc1ccccc1)=C(/O)c1ccccc1 100882493 LBCQIZKTXMFLLC-PFONDFGASA-N 264.284 3.118 50 1 CGGF C[C@]1(CSc2ccccc2)OO[C@@H]2C[C@@H]1CC[C@@]2(C)O 195523974 OIGMNEOVBPJXIP-LCGIIJARSA-N 294.416 3.419 50 1 CGGF C[C@H]1CCC2=C1C=C1C(C)(C)OO[C@]1(O)C[C@@H]2C 212755322 WXNXTCLYINNSQL-AMJWSMQMSA-N 250.338 3.108 50 1 CGGF CCC[C@]12CC[C@H]3[C@H](C)CC[C@H]4CCO[C@@H](O1)[C@@]43OO2 195241366 ZZEYTEJYRRBBLR-QOTRURMSSA-N 282.380 3.403 50 1 CGGF CN1[C@H]2CC[C@H]1CC(OC(=O)[C@H](Cl)c1ccccc1)C2 102057939 KEXWPNSAABHTCM-KCQAQPDRSA-N 293.794 3.135 50 1 CGGF CC[C@@H]1C[C@]2(CC)OC(=O)[C@]3(CC)OO[C@H](CC)[C@H]1[C@H]23 2356642337 DDIVIPPIFILELB-FFNJBFJXSA-N 282.380 3.244 50 1 CGGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCC[C@H]1Cl)O2 587380292 CWIMCBQGENIYRZ-UKRRQHHQSA-N 279.767 3.463 50 1 CGGF c1ccc(C[C@H]2OO[C@H](Cc3ccccc3)OO2)cc1 100840383 RYKAJRXCBANUHD-IYBDPMFKSA-N 272.300 3.034 50 1 CGGF COc1cc2nc([C@H](Cl)CCl)[nH]c2cc1F 587007527 FEPYCWUCWJMEON-RXMQYKEDSA-N 263.099 3.229 50 1 CGGF COc1cncc2[nH]c(/C(C#N)=C\c3ccc(C)cc3)nc12 587187347 FERVRVMWVNXPBB-QPEQYQDCSA-N 290.326 3.339 50 1 CGGF ClCc1cccc(Cn2cnc3c(Cl)ncnc32)c1 103284769 VNNWFAAEYXWINT-UHFFFAOYSA-N 293.157 3.267 50 1 CGGF C=C1C(C)=C(C#N)C(=O)N1[C@H]1CCCc2ccccc21 64470180 UAHOTIDIIAJTHZ-INIZCTEOSA-N 264.328 3.260 50 1 CGGF N#CC(C#N)=c1c2cccc3cccc(c32)n1CCCCl 49783858 MCXMJQCFQIMNFD-UHFFFAOYSA-N 293.757 3.340 50 1 CGGF C=C(C)[C@H](Cl)[C@H](O)c1c(OC)ccc2ccc(=O)oc12 13385752 BLFMQRNQLZQZDG-UONOGXRCSA-N 294.734 3.019 50 1 CGGF C[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4[C@H](C)CC[C@H]([C@H]1C)[C@@]24OO3 299845946 LTMHSJHRBJNEIZ-HHUQYMAPSA-N 282.380 3.257 50 1 CGGF Cc1cc2nc(-c3ccc4c(c3)C(=O)OC4=O)[nH]c2cc1C 586906072 IKBKLUSDZFTBRR-UHFFFAOYSA-N 292.294 3.157 50 1 CGGF Cc1cc(C)cc(Oc2ccc(/C=N/NC(N)=O)cc2)c1 27313729 MCOUGMWITMAPHH-VCHYOVAHSA-N 283.331 3.098 50 1 CGGF Cl[C@@H]1CCCCC[C@@]12NCCc1nc3ccccn3c12 962988364 NQUBYZKWLKGHHA-CZUORRHYSA-N 289.810 3.247 50 1 CGGF CCC=C[C@]1(CC)C[C@H](CC)[C@@H](CC(=O)OC)OO1 2356382451 BAKJVBVQCDUJOC-GZBFAFLISA-N 270.369 3.411 50 1 CGGF C[C@H](Cl)/C=C/C(=O)N(C)Cc1ccc(Cl)cc1 103286663 DFOIYGKSFYAGQI-ANRVEHPFSA-N 272.175 3.482 50 1 CGGF CCCCCCCCC(=O)N/N=C/c1ccc([N+](=O)[O-])o1 108699308 RCFSZDOVSFYAFR-RVDMUPIBSA-N 295.339 3.389 50 1 CGGF CCOC(=O)[C@H](Cl)c1[nH]c2c(C(=O)O)cccc2c1C 587638832 RAESMHNORJWUIO-SNVBAGLBSA-N 295.722 3.018 50 1 CGGF O=C(CCc1ccccc1)N/N=C\[C@@H]1CC=CCC1 15919476 XZAYVVKLXRWOIV-WIZMWCRPSA-N 256.349 3.078 50 3 CGGF O=C(N/N=C\c1ccccn1)c1ccc(Cl)c(Cl)c1 15997699 DWKRDOPIHNRCGC-IUXPMGMMSA-N 294.141 3.152 50 1 CGGF CC(=O)O[C@@H](C)CC[C@]12OO[C@@H](C=C1C)CC2(C)C 100789837 KECLSDLNORDPRG-WHOFXGATSA-N 268.353 3.164 50 1 CGGF CCOC(=O)[C@H](Cl)c1[nH]c2cc([N+](=O)[O-])ccc2c1C 587643269 CKDDVTORFGPKHM-LLVKDONJSA-N 296.710 3.228 50 1 CGGF COc1cc2nc([C@H](Cl)CCl)[nH]c2cc1C 587008175 LKWOWRVCRKBMDI-SSDOTTSWSA-N 259.136 3.399 50 1 CGGF CC(C)NCC1CCC2(CC1)OOC1(CCCCC1)OO2 43617573 RKAOAMPTWKJEON-UHFFFAOYSA-N 299.411 3.441 50 1 CGGF CC[C@]12CC[C@H]3[C@H](C)CC[C@@H]4CCO[C@H](O1)[C@]34OO2 43308030 YOILOSTXXIBJEP-JSLGZRHDSA-N 268.353 3.012 50 1 CGGF C[C@@H](Cl)OC(=O)Nc1cccc2cccnc12 13815924 CEXCMYZJDZTLKR-QMMMGPOBSA-N 250.685 3.368 50 1 CGGF CC1=CC2=CC(C)(C)C[C@]2(OO)[C@@H](C)CC[C@@H]1O 2356437833 JXXGQPLNOPZHMH-WHOFXGATSA-N 252.354 3.308 50 1 CGGF Cc1cc2[nH]c([C@@H](Cl)CCl)nc2cc1[N+](=O)[O-] 587008026 KPMCUVRKGVGZNX-LURJTMIESA-N 274.107 3.298 50 1 CGGF CC1=C[P@@](=O)(c2ccccc2)C[C@@H]1Br 64549361 FHSPRRPWDHWCFV-FZMZJTMJSA-N 271.094 3.356 50 1 CGGF C[C@@H]1CC[C@H]2[C@@H](C)CO[C@H]3C[C@]4(C)CC[C@@H]1[C@@]32OO4 42784669 FRRNPFHMNCDZAZ-PNSMXUMWSA-N 266.381 3.327 50 1 CGGF C/C(=N/NC(N)=O)c1ccc(Sc2ccccc2)cc1 27313652 QXHWTUVYNOVSBA-BOPFTXTBSA-N 285.372 3.230 50 1 CGGF CC(=O)/C(C#N)=C(/S)Nc1ccc(C(F)(F)F)cc1 1486310 MQNVFTIIHYGBRF-ZHACJKMWSA-N 286.278 3.371 50 1 CGGF C[C@]1(CI)O[C@]2(C)CCC[C@@H]1C2 100920849 XCGBVMYIVBKEPI-OPRDCNLKSA-N 280.149 3.159 50 1 CGGF C=C[C@]1(C)CC[C@H]([C@H](C)[C@]2(O)C[C@@](C)(C(=C)C)OO2)O1 2356459512 OQNVNFHRJADGGG-OTJKEOIZSA-N 282.380 3.122 50 1 CGGF CC(C)O[C@@H]1Sc2ccccc2[C@H](O)[C@H]1Cl 299847269 AAGPWJDBHBNNOU-GRYCIOLGSA-N 258.770 3.184 50 1 CGGF CC[C@@]1(CCCl)CC(=O)c2cc(C)cc(N)c2O1 587370722 BJNSUYVNNFCUKC-CQSZACIVSA-N 267.756 3.320 50 1 CGGF O=NNC(=O)N(C1CCCCC1)C1CCCCC1 29549404 MABWLBHHQGFCSD-UHFFFAOYSA-N 253.346 3.345 50 1 CGGF C[C@]1(C(=O)NNc2cccc3ncccc23)C[C@@H]2C=C[C@H]1C2 40957583 DOARLLFDFTYHPZ-VBHSOAQHSA-N 293.370 3.280 50 1 CGGF CC1(C)C(C#N)=C(N)OC2=C1C(=O)C[C@H](c1ccccc1)C2 84705978 ABAMOIPYYYYRBT-LBPRGKRZSA-N 294.354 3.137 50 1 CGGF C=C1CC[C@H](C(C)(C)O)C[C@@H]2[C@@H]1C=C[C@@]2(C)OO 238738147 SMXUTKWKYLPUHX-KYEXWDHISA-N 252.354 3.164 50 1 CGGF COc1ccc2c(c1)/C(=C/C#N)C(=O)N2Cc1ccccc1 1857564748 YQPZCELOXFHOOQ-DHDCSXOGSA-N 290.322 3.149 50 1 CGGF C=C1C[C@@H](O)[C@@H](Br)C(C)(C)[C@@]12C=CC(=O)CC2 6004307 ZERRJERBGYWIKI-YRGRVCCFSA-N 299.208 3.002 50 1 CGGF COC(=O)[C@@H](Cl)c1[nH]c2cc(F)ccc2c1C 587632823 RMWVFPHTNYLQOT-JTQLQIEISA-N 255.676 3.068 50 1 CGGF CC(=O)OC/C1=C\CC/C(C=O)=C/[C@@H]2[C@@H](CC1)C2(C)C 169356719 VGOHBZXHAWVRBT-PHHGIDMISA-N 276.376 3.447 50 1 CGGF C[C@]1(C(=O)NNc2cccc3ncccc23)C[C@H]2C=C[C@H]1C2 101627073 DOARLLFDFTYHPZ-LXIYXOSZSA-N 293.370 3.280 50 1 CGGF CC(=O)c1ccc2nc(/C=C\CBr)[nH]c2c1 586974244 TYMHBDIIZZYSQB-IHWYPQMZSA-N 279.137 3.174 50 1 CGGF CCC[C@@]12CC[C@H]3[C@H](C)CC[C@@H]4CCO[C@H](O1)[C@@]34OO2 169340320 ZZEYTEJYRRBBLR-AQGHMYMLSA-N 282.380 3.403 50 1 CGGF CC#CC#Cc1ccc(C#CC[C@H](Cl)OC)s1 238750172 PWBXNHCQWMRAKH-CQSZACIVSA-N 262.761 3.076 50 1 CGGF COc1ccc(-c2noc(CCCBr)n2)cc1 1247906721 IHRIAPSXFURYNP-UHFFFAOYSA-N 297.152 3.073 50 1 CGGF Cc1ccc(CC23CCC4(C)O[C@@]2(C)OO[C@@]3(C)O4)cc1 95554226 QONDSKDTDGBRGB-HPZPOOBXSA-N 290.359 3.475 50 1 CGGF C[C@H](Br)c1nc2cc(F)c(F)c(F)c2[nH]1 587009256 YPRWODCFBUSVOC-VKHMYHEASA-N 279.059 3.436 50 1 CGGF Cc1cc2nc([C@H](C)Br)[nH]c2cc1F 587007610 AZRMRLZTYOAKHN-LURJTMIESA-N 257.106 3.466 50 1 CGGF CCC[C@]1(CCl)CC(=O)c2cc(C)cc(N)c2O1 587373647 RVMLOLTURWQHJY-CQSZACIVSA-N 267.756 3.320 50 1 CGGF COc1ccccc1COc1cccc(/C=C/C=O)c1 29486930 BHLVRQSWFODKAY-FNORWQNLSA-N 268.312 3.486 50 1 CGGF COc1ccc(/C=C(/C#N)c2ccccc2)cc1N 13780618 UYVUHNLOAZHOPQ-ZROIWOOFSA-N 250.301 3.342 50 1 CGGF CC=C(CO)C(=O)OCC=CSS[C@@H](C)CC 2356535978 CYUXEJLWTIKXHP-JTQLQIEISA-N 276.423 3.162 50 1 CGGF C[C@@]1(C(=O)NNc2cccc3ncccc23)C[C@@H]2C=C[C@@H]1C2 169293928 DOARLLFDFTYHPZ-SNUQEOBHSA-N 293.370 3.280 50 1 CGGF COc1cc(OC)c2[nH]c([C@H](C)Br)nc2c1 587008217 KHLZTXGPNQOHGV-LURJTMIESA-N 285.141 3.036 50 1 CGGF CC1(C)[C@H]2CC=C(/C=N/NC(=O)c3ccccc3O)[C@@H]1C2 4113876 MHMOFKDAGZUTBJ-KCELOSIBSA-N 284.359 3.100 50 1 CGGF N#CC1=C(/N=C/c2ccccc2O)S[C@@H]2CCC[C@H]12 73198238 KWJJMTHWANHFTJ-WRGXQLIMSA-N 270.357 3.462 50 1 CGGF O=C(CCC1CCCCC1)N/N=C\c1ccccc1 103167759 TXYCTYNDTQGQRV-LGMDPLHJSA-N 258.365 3.497 50 1 CGGF CO[C@H]([C@@H](C)O)[C@H](C)CO[Si](C)(C)C(C)(C)C 2356528241 WEAQMQBKBLUICG-UTUOFQBUSA-N 262.466 3.040 50 1 CGGF CC1(C)C=CC(=O)C([C@H](Cl)CBr)=C1 85855973 YORMSIUMFQQOLI-MRVPVSSYSA-N 263.562 3.080 50 1 CGGF O=C(NN=C1CCCC1)Nc1ccccc1Cl 103193430 PXFIAQBHTYSILD-UHFFFAOYSA-N 251.717 3.392 50 1 CGGF CC(C)C1=C2[C@H](O)[C@](C)(O)CC[C@@H]2[C@](C)(N=C=S)CC1 2356552998 KMKVJTMIHMKYBS-ARLBYUKCSA-N 295.448 3.116 50 1 CGGF OCC12CC3C[C@@H](C1)C1(OOC4(CCCCC4)O1)[C@@H](C3)C2 101993678 BINIRIGZTGEDBI-LLRBONHFSA-N 294.391 3.140 50 1 CGGF O=C(OCCCl)c1cc2c3ccccc3nc-2c[nH]1 100707850 RAEKZIGFKGYNLG-UHFFFAOYSA-N 274.707 3.063 50 1 CGGF Cc1ccc2cc(C(C)C)c(O)c3c2c1C(=O)OC3=O 44352489 NPFRPFNPGBIXNT-UHFFFAOYSA-N 270.284 3.288 50 1 CGGF biogenic,in-vitro CCC[C@]12CC[C@H]3[C@H](C)CC[C@@H]4CCO[C@H](O1)[C@@]34OO2 169340323 ZZEYTEJYRRBBLR-RDGWLKQMSA-N 282.380 3.403 50 1 CGGF C=C[C@](C)(O)CC[C@H]1OO[C@@H](C=C(C)C)CC1=C 2356331249 HYZUYRMHHUNOMH-ZNMIVQPWSA-N 252.354 3.315 50 1 CGGF COc1cc2c3c(c1)O[C@@]1(CCCC[C@@H]1Cl)[C@@H](C2)C3=O 587418102 ANYLKDGEVBIZJD-RBOXIYTFSA-N 292.762 3.363 50 1 CGGF CC(=O)c1cc([C@H]2OC[C@@H](N=[N+]=[N-])[C@@H]2Cl)oc1C 28895636 KEFVSMYJFCKVGF-DVVUODLYSA-N 269.688 3.148 50 1 CGGF COc1cc2nc([C@@H](Cl)CCl)[nH]c2cc1C 587008178 LKWOWRVCRKBMDI-ZETCQYMHSA-N 259.136 3.399 50 1 CGGF CC1=C(C#N)C(=C(C#N)C#N)O[C@@]1(C)c1ccc(F)cc1F 73195710 UHMIWSTYMDDUHF-MRXNPFEDSA-N 297.264 3.352 50 1 CGGF CN(C1=NC(=O)[C@@](C)(CCCl)S1)c1ccccc1 103168447 GKLVKAJGGPLCNT-CYBMUJFWSA-N 282.796 3.140 50 1 CGGF CCOC(=O)[C@@H](Cl)c1[nH]c2cccc(F)c2c1C 587632621 MJIHCBSRRANLQL-NSHDSACASA-N 269.703 3.458 50 1 CGGF Fc1cc2nc([C@@H](Cl)CCl)[nH]c2cc1F 587007352 CMJRJVROMVRRKJ-BYPYZUCNSA-N 251.063 3.360 50 1 CGGF CC(C)(Oc1ccc([C@H]2C[C@H]2Cl)cc1)C(=O)O 5884783 OAAXFFJVNNWAFV-GHMZBOCLSA-N 254.713 3.023 50 1 CGGF CCOP(=O)(OCC)/C(C#N)=C/c1ccccn1 13214987 HFKJWXYDLWPLSJ-FMIVXFBMSA-N 266.237 3.212 50 1 CGGF OCCCCCC[C@@H](Br)CCCCCO 13861200 AEAUTVJBBBDXIV-GFCCVEGCSA-N 281.234 3.245 50 1 CGGF c1ccc(C[C@H]2OO[C@H](Cc3ccccc3)OO2)cc1 299804935 RYKAJRXCBANUHD-WKILWMFISA-N 272.300 3.034 50 1 CGGF Cc1cc2[nH]c([C@H](Cl)CCl)nc2cc1[N+](=O)[O-] 587008028 KPMCUVRKGVGZNX-ZCFIWIBFSA-N 274.107 3.298 50 1 CGGF CC(C)[C@@H]1CC[C@](C)(N=C=S)[C@]2(O)CC[C@@](C)(O)C=C12 40392881 GNODDEQSJFIPCL-UKMLZYKCSA-N 295.448 3.116 50 1 CGGF Cl[C@H]1CCCCC[C@]12NCCc1nc3ccccn3c12 962988362 NQUBYZKWLKGHHA-BBRMVZONSA-N 289.810 3.247 50 1 CGGF C[C@]1(C(=O)NNc2cccc3ncccc23)C[C@H]2C=C[C@@H]1C2 169293930 DOARLLFDFTYHPZ-JCGVRSQUSA-N 293.370 3.280 50 1 CGGF CC(C)[C@]1(O)CC[C@@](C)(N=C=S)[C@H]2CC[C@](C)(O)C=C21 50444809 ZUDSVIIZJCRBTA-ARLBYUKCSA-N 295.448 3.116 50 1 CGGF CC(C)OC(=O)c1cc2cc(CCl)ccc2oc1=O 13756683 PUGAUHDWYFYUON-UHFFFAOYSA-N 280.707 3.097 50 1 CGGF C[C@@]1(C(=O)NNc2cccc3ncccc23)C[C@H]2C=C[C@@H]1C2 58570458 DOARLLFDFTYHPZ-VEVIJQCQSA-N 293.370 3.280 50 1 CGGF COCCN(C(=O)CCl)C(=C(C)C)c1cccc(C)c1 103193380 WPPVVJDMIDBRIE-UHFFFAOYSA-N 295.810 3.460 50 1 CGGF C=C1C(C)=C(C#N)C(=O)N1c1cccc(C(F)(F)F)c1 64403873 HWKQPCKJFVWLDS-UHFFFAOYSA-N 278.233 3.406 50 1 CGGF O=[N+]([O-])c1cc2nc([C@H](Cl)CCl)[nH]c2cc1F 587007271 BQUZPHRYXYMIMQ-SCSAIBSYSA-N 278.070 3.129 50 1 CGGF CC(C)[C@@H]1CC(C)(C)C[C@]23O[C@]12C[C@H](Cl)[C@@]3(C)O 13385981 ZXBCSPUAOMNNKQ-ULQWKZLWSA-N 272.816 3.349 50 1 CGGF C/N=C(/S)[C@]1(c2cccnc2)CCCC/C1=C\C#N 13589993 LWTCBXRRMCNODK-CUXKMMBLSA-N 271.389 3.301 50 1 CGGF CC1(C)CC(=O)C[C@@H]2C(=O)O[C@]3(C)CC[C@@]21C[C@@H]3Cl 139091157 VTUJLRHZGOPGRK-BAESOJJISA-N 284.783 3.085 50 1 CGGF COc1cc2c3c(c1)O[C@@](CCl)(C1CCC1)[C@@H](C2)C3=O 587424249 YKYQZGFJVKXFMK-LRDDRELGSA-N 292.762 3.220 50 1 CGGF O[C@@H](CCl)CNc1cc(Cl)ccc1Cl 29126684 JLHVUDMOAFAAPB-ZETCQYMHSA-N 254.544 3.005 50 1 CGGF ClC[C@@H](Cl)c1nc2c(Cl)ccnc2[nH]1 587007541 FNEJCPNJLQNNIS-RXMQYKEDSA-N 250.516 3.130 50 1 CGGF CCOP(=S)(OCC)Oc1ccc([N+](=O)[O-])cc1 896311 LCCNCVORNKJIRZ-UHFFFAOYSA-N 291.265 3.271 50 1 CGGF in-man C[C@]1(CI)OO[C@]2(C)CCC[C@H]1C2 43393969 FGTDESKKRHEBHD-IVZWLZJFSA-N 296.148 3.091 50 1 CGGF Cc1ccc2c(ccc3nc(CBr)[nH]c32)n1 586972346 NCXCMVUQNHELKE-UHFFFAOYSA-N 276.137 3.314 50 1 CGGF CC[C@H]1CO[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 169339066 FXHWCKGQFFBYHP-RZUNORGTSA-N 282.380 3.258 50 1 CGGF COC(=O)[C@]1(C)[C@@H]2/C=C(/C=O)CC/C=C(\C)CC[C@H]21 103094633 NRZFMXMBODNUGB-ZTFMBOIGSA-N 262.349 3.057 50 1 CGGF CC(=O)OC[C@@]1(C)[C@H]2CCC(C)=CCCC(C=O)=C[C@@H]21 2356545339 RBYAXSDAQKDGTH-ULQDDVLXSA-N 276.376 3.447 50 1 CGGF CCCCCCNNC(=O)c1ccc(Br)cc1 261189627 YQIPSZXUSOVGKH-UHFFFAOYSA-N 299.212 3.264 50 1 CGGF CC(=O)O[C@H]1C[C@@H](C)C(C=O)=C2[C@@H]1C(C)(C)C[C@H]2C 85883715 HAEYAYBKSHUKRO-FRWLMAKKSA-N 264.365 3.136 50 1 CGGF N#C/C(=C\c1ccccn1)C(=O)c1c[nH]c2ccccc12 169312582 WNLZMNDQQDRYCF-FMIVXFBMSA-N 273.295 3.353 50 1 CGGF O=C(CCl)N[C@H]1Cc2ccccc2[C@@H](c2ccccc2)C1 13494165 VKBMUJCDAZKJDY-DOTOQJQBSA-N 299.801 3.488 50 1 CGGF O=C(Nc1nc(CN=C=S)cs1)c1ccc(F)cc1 27302397 QIZCXIMYVISWTN-UHFFFAOYSA-N 293.348 3.137 50 1 CGGF C[C@@H]1CC[C@H]2[C@@H](C)CO[C@H]3OC4(CCCC4)OO[C@@]32C1 43834152 LMWHOMOWYGPPAI-XSEXMBABSA-N 282.380 3.403 50 1 CGGF C[C@]1(CI)C[C@H]2CCC[C@H](C2)OO1 43989880 FPIHLSCFPRIJSJ-IVZWLZJFSA-N 296.148 3.091 50 1 CGGF CC/C=C/[C@]1(CC)C[C@@H](CC)[C@H](CC(=O)OC)OO1 85775834 BAKJVBVQCDUJOC-ZBLHKVTASA-N 270.369 3.411 50 1 CGGF Clc1nccc2nc(/C=C\CBr)[nH]c12 586972752 AWRTURASSQDWBS-UPHRSURJSA-N 272.533 3.019 50 1 CGGF C=C[C@](C)(O)CC[C@H]1OO[C@H](C=C(C)C)CC1=C 2356331247 HYZUYRMHHUNOMH-KFWWJZLASA-N 252.354 3.315 50 1 CGGF O=C(O)CCCCCC(=O)NN=C1CCCCCCC1 95808649 VQJPXQLDASLRDM-UHFFFAOYSA-N 282.384 3.238 50 1 CGGF COc1cc2c3c(c1)O[C@]1(CCCC[C@H]1Cl)[C@@H](C2)C3=O 587418101 ANYLKDGEVBIZJD-NORZTCDRSA-N 292.762 3.363 50 1 CGGF COC(C)(C)[C@H](Br)c1nc2cncc(C)c2[nH]1 586970456 BGTZGYZREUWATQ-SNVBAGLBSA-N 298.184 3.127 50 1 CGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc[nH]1)O2 587373772 SHLNVPNOXUDTEQ-OAHLLOKOSA-N 290.750 3.005 50 1 CGGF O=C(C[C@H](Cl)C(=O)O)c1ccc(Cl)c(Cl)c1 1545419 SWODLSPIHPXDOI-QMMMGPOBSA-N 281.522 3.258 50 1 CGGF Cc1ccc(C(=O)Nc2nc(CN=C=S)cs2)cc1 27213893 NUIYUFXMXCJMII-UHFFFAOYSA-N 289.385 3.307 50 1 CGGF Cc1ccc(C(=O)Oc2ccccc2/C=C/C=O)cc1 29480171 NNWXMCUUDZGMFQ-GQCTYLIASA-N 266.296 3.426 50 1 CGGF N#C/C(=C/c1ccccc1)c1nc2ccc(CO)cc2[nH]1 587189002 XOKOMILUUHMSOD-ZSOIEALJSA-N 275.311 3.119 50 1 CGGF N#C/C(=C\c1ccccc1)c1nc2cccc(O)c2[nH]1 587187304 FUZIDEOWYAOYJD-FMIVXFBMSA-N 261.284 3.333 50 1 CGGF Cc1ccc(/C=C(\C#N)c2nc3ccnc(O)c3[nH]2)cc1 587187357 FLDFUHGJGHPMKZ-XYOKQWHBSA-N 276.299 3.036 50 1 CGGF CC12CCC3(Cc4ccccc4)[C@](C)(OO[C@@]3(C)O1)O2 95554783 QEZPIJHDSXXMIS-IRHLINNNSA-N 276.332 3.167 50 1 CGGF COc1cc2c3c(c1)O[C@](C)(CCCCl)[C@@H](C2)C3=O 587420669 IICXINNYQPQEMP-XHDPSFHLSA-N 280.751 3.220 50 1 CGGF Clc1cc2nc(CBr)[nH]c2c(Cl)n1 586971742 XTSHIVAGXKHBQE-UHFFFAOYSA-N 280.940 3.160 50 1 CGGF CCOC(=O)[C@@H](Cl)c1[nH]c2cccc([N+](=O)[O-])c2c1C 587643644 HXJPRFJVLDEHNI-NSHDSACASA-N 296.710 3.228 50 1 CGGF C[C@H](Br)C(=O)c1coc2cc([N+](=O)[O-])ccc12 587279362 GZKWQECNXLYQCO-LURJTMIESA-N 298.092 3.307 50 1 CGGF COc1ccc(C(=O)NNc2c(C)cccc2C)cc1 653744927 FCCKQPUBFXGZAS-UHFFFAOYSA-N 270.332 3.069 50 1 CGGF CN(C)C[C@@H](Br)c1cccc(Cl)c1 169345624 HEUNEIVUBOPJSZ-SNVBAGLBSA-N 262.578 3.338 50 1 CGGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC[C@@H]1Cl)O2 587380351 DKQVQGIQKHBQRU-GXTWGEPZSA-N 265.740 3.073 50 1 CGGF CCC[C@H](N=C=S)P(=O)(OCC)OCC 72141320 GOELXFKSURDEAV-SECBINFHSA-N 251.288 3.482 50 1 CGGF C[C@@H]1CCO[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 169371037 QGTNBZCODYOPJL-LUWMMQMLSA-N 282.380 3.258 50 1 CGGF N#C/C(=C/c1ccccc1)c1nc2c(Cl)ncnc2[nH]1 587187381 GGNRUGZKKQQRRF-POHAHGRESA-N 281.706 3.070 50 1 CGGF Cc1cc[n+](/C(C=C(C#N)C#N)=C(\O)c2ccccc2)cc1 209106859 YGNUZKMQKHAKFO-ZCXUNETKSA-O 288.330 3.140 50 1 CGGF CC#CC#Cc1ccc(C#CC[C@@H](Cl)OC)s1 2356740537 PWBXNHCQWMRAKH-AWEZNQCLSA-N 262.761 3.076 50 1 CGGF C=C(C)C[C@]1(O[Si](C)(C)C)C(=O)C(OCC)=C1OCC 195517543 NPXKTDFAPVSBIK-HNNXBMFYSA-N 298.455 3.410 50 1 CGGF O=C(N/N=C/c1ccccc1)c1coc2ccccc12 73310191 DXZRQRIIWCKTRR-LICLKQGHSA-N 264.284 3.197 50 1 CGGF COc1cncc2nc(/C(C#N)=C\c3ccccc3)[nH]c12 587188481 RMJUZKQJJGLBIK-GHXNOFRVSA-N 276.299 3.031 50 1 CGGF O=C(NN=C1CCCC1)c1ccc(C(F)(F)F)cc1 1857647568 OJBZQAGQWHHHOU-UHFFFAOYSA-N 270.254 3.365 50 1 CGGF COC(=O)CCCCCCC(=O)N/N=C/C1=CCCCC1 95808911 YXIOINWXRJXVGI-GHRIWEEISA-N 294.395 3.102 50 1 CGGF Cc1cc2c(n1-c1ccnc(CCl)n1)CCCC2 587939346 DPSRWVAYUGIEGN-UHFFFAOYSA-N 261.756 3.193 50 1 CGGF CC=C1C[C@@](CC)(CCCC)OO[C@@H]1CC(=O)O 2356586477 BJPWYJPXKWNMRI-TZMCWYRMSA-N 256.342 3.467 50 1 CGGF CC(C=CC=O)=CCOc1cc(=O)oc2cccc(C)c12 2356643367 QRTCKTZJMAEBCA-UHFFFAOYSA-N 284.311 3.182 50 1 CGGF CC1(C)C(C#N)=C(N)OC2=C1C(=O)C[C@@H](c1ccccc1)C2 84705982 ABAMOIPYYYYRBT-GFCCVEGCSA-N 294.354 3.137 50 1 CGGF CCOP(=O)(C[C@H](CC)N=C=S)OCC 72106510 QUIABGAWVGUHOZ-VIFPVBQESA-N 251.288 3.134 50 1 CGGF COc1ccc2nc(/C(C#N)=C\c3ccccc3)[nH]c2n1 587187271 FQKBSWINAXIPIW-XFXZXTDPSA-N 276.299 3.031 50 1 CGGF O=[N+]([O-])c1cc2nsnc2cc1C#CCCCCCl 1857763893 KGFAZZZXVVJVDP-UHFFFAOYSA-N 295.751 3.360 50 1 CGGF O/N=C(/CBr)c1ccc2ccccc2c1 36382758 RWACEJPBDXOXAZ-OWBHPGMISA-N 264.122 3.413 50 1 CGGF C[C@@H]1CC[C@@H]([C@@H](C)C(=O)O)C2=C[C@](C)(OO)CC[C@H]21 138955580 WCRHLQJCUOBAKM-VUABOHJTSA-N 268.353 3.338 50 1 CGGF Cc1ccc2nc([C@H](Br)C(C)(C)F)[nH]c2n1 587086887 ICEWFRLNLDEYTJ-QMMMGPOBSA-N 286.148 3.450 50 1 CGGF CC[C@]12CC[C@H]3[C@H](C)CC[C@@H]4CCO[C@H](O1)[C@@]34OO2 169338379 YOILOSTXXIBJEP-JEWKUQAESA-N 268.353 3.012 50 1 CGGF CC1=C(CCCl)C(=O)N/C1=C\[C@@H]1C=CCCC1 136315516 TYKRNMMBBIULPC-NASPGAHYSA-N 251.757 3.302 50 1 CGGF O=[N+]([O-])c1cc2nc(CBr)[nH]c2cc1Cl 586970997 JTNSLKJGNPCGAB-UHFFFAOYSA-N 290.504 3.019 50 1 CGGF CC(=O)c1ccc2nc([C@H](C)Br)[nH]c2c1 587009213 XNBFWIVAAZNXMR-LURJTMIESA-N 267.126 3.221 50 1 CGGF CN(C)C[C@H](Br)c1ccc(Cl)cc1 169345621 PUOSWBYUCVUZQA-JTQLQIEISA-N 262.578 3.338 50 1 CGGF Fc1ccc2nc([C@H](Cl)CCl)[nH]c2c1F 587007948 JIYFSHKSIZYMQA-SCSAIBSYSA-N 251.063 3.360 50 1 CGGF ClC[C@H](Cl)c1nc2ccnc(Br)c2[nH]1 587008426 ORSUJBRAGBEDFP-BYPYZUCNSA-N 294.967 3.239 50 1 CGGF C#CC=CC[C@H](Cl)[C@@H]1CCC(=O)C=C[C@H](CC)O1 2356485662 OQCPIRSOVPXDNM-KKUMJFAQSA-N 266.768 3.256 50 1 CGGF CCOc1c(CCl)[nH]c2cc([N+](=O)[O-])ccc12 587644215 QIDGOKKYILOIQE-UHFFFAOYSA-N 254.673 3.214 50 1 CGGF C[C@H](Br)c1nc2cc(Cl)ncc2[nH]1 587007655 CEMXWOLEGYLGQD-BYPYZUCNSA-N 260.522 3.067 50 1 CGGF Cc1ccc(/C=C(\C#N)c2nc3nc(Cl)c[nH]c-3n2)cc1 587187039 AXKSKRGJZDFFFD-IZZDOVSWSA-N 295.733 3.331 50 1 CGGF CC=C1C[C@](CC)(CCCC)OO[C@@H]1CC(=O)O 2356586476 BJPWYJPXKWNMRI-OCCSQVGLSA-N 256.342 3.467 50 1 CGGF C[C@@]1(CI)C[C@H]2CCC[C@H](C2)OO1 43989885 FPIHLSCFPRIJSJ-AEJSXWLSSA-N 296.148 3.091 50 1 CGGF CC(=O)OC/C1=C\CC/C(C=O)=C\[C@@H]2[C@@H](CC1)C2(C)C 102152029 VGOHBZXHAWVRBT-SULDDGIRSA-N 276.376 3.447 50 1 CGGF O=C(O)c1cccc2c(CCl)c(CCCl)[nH]c12 587637839 FOSUPHKKOCAKAD-UHFFFAOYSA-N 272.131 3.386 50 1 CGGF CCCC[C@H]1C(=O)O[C@@H]2OC(C)(C)OO[C@@]23CCCC[C@H]13 43327987 RBKOVVKPAGZLCR-ZNEHSRBWSA-N 298.379 3.319 50 1 CGGF COc1cc2nc(/C=C\CBr)[nH]c2cc1F 586972981 DUUDSMIONHVUQK-IHWYPQMZSA-N 285.116 3.119 50 1 CGGF CC(C=O)=CCC[C@@]1(C)C=Cc2cc(O)ccc2O1 2356556655 JMHTYVNKROVRNY-INIZCTEOSA-N 258.317 3.482 50 1 CGGF COc1ccc2nc(NCCBr)sc2c1 98083455 YDTXHRABFHDBAM-UHFFFAOYSA-N 287.182 3.112 50 1 CGGF COc1cccc2nc(CCCCBr)[nH]c12 586972400 PMGWKESRSKGWNJ-UHFFFAOYSA-N 283.169 3.289 50 1 CGGF Oc1ccc(SSc2ccc(O)cc2O)c(O)c1 58638438 DCHQLQXIXWXHFP-UHFFFAOYSA-N 282.342 3.308 50 1 CGGF in-vitro Cc1c(F)ccc2c1[C@@](C)(C(Cl)Cl)NCC2 962094420 SKDZZYYSIXNRAJ-LBPRGKRZSA-N 262.155 3.299 50 1 CGGF Oc1ccc2c(c1)[C@]1(CCC[C@@H](Br)C1)NCC2 963350245 ANZGQVXKHMVFCD-BXUZGUMPSA-N 296.208 3.071 50 1 CGGF COC(=O)[C@]1(C)[C@H]2C=C(C=O)CCC=C(C)CC[C@H]21 2356403577 NRZFMXMBODNUGB-YCPHGPKFSA-N 262.349 3.057 50 1 CGGF CC=C1C[C@@](CC)(CCCC)OO[C@H]1CC(=O)O 2356586475 BJPWYJPXKWNMRI-GXTWGEPZSA-N 256.342 3.467 50 1 CGGF CSc1nc(N)c(C)c([C@H](Cl)c2ccccc2)n1 40953079 SDBOUXQEOIVRRO-SNVBAGLBSA-N 279.796 3.417 50 1 CGGF Cc1cc2nc(/C=C/CBr)[nH]c2cc1F 586973604 MECJXVFCGGBIIP-NSCUHMNNSA-N 269.117 3.419 50 1 CGGF CC1=C(OCCCCBr)[C@@H](C)SC1=O 28130270 OXXPWKRKAMIIRE-MRVPVSSYSA-N 279.199 3.114 50 1 CGGF ClC[C@H](Cl)c1nc2cc3c(cc2[nH]1)OCCCO3 587007991 KFUIQMUXBATZJW-ZETCQYMHSA-N 287.146 3.243 50 1 CGGF C=CCCCCC[C@H](Cl)[C@H](O)CC#CC#C[C@H](O)C=C 13386143 MORPELUWUARUFU-IXDOHACOSA-N 294.822 3.035 50 1 CGGF endogenous,in-man CCCc1ccccc1Oc1ccc(/C=N/NC(N)=O)cc1 27315513 HRILWYGUHWZTGZ-XDHOZWIPSA-N 297.358 3.434 50 1 CGGF C=C[C@](C)(Cl)[C@@H](Cl)C=CC(=CCl)CO 2356470149 PORLDPZDDAKKST-UWVGGRQHSA-N 255.572 3.449 50 1 CGGF N#Cc1nc(Cl)cc2nc([C@@H](Cl)CCl)[nH]c12 587009174 YEWOWQHJWLCAIN-BYPYZUCNSA-N 275.526 3.002 50 1 CGGF C[C@]1(CI)C[C@H]2CCCC[C@@H]2OO1 43394005 YLXHTXGEAFDXNG-KXUCPTDWSA-N 296.148 3.091 50 1 CGGF CCCc1c(O)ccc2c1O[C@@](C)(CCl)CC2=O 587461736 YHBOHRHGQCWKHI-CQSZACIVSA-N 268.740 3.307 50 1 CGGF O=P(CCN=C=S)(c1ccccc1)c1ccccc1 1857650426 XDNXICLQPWNLLC-UHFFFAOYSA-N 287.324 3.103 50 1 CGGF C/C=C(/C=O)[C@@H](CC)CC(=O)OCCc1ccc(O)cc1 201063388 XWGCOCZPWAQUAS-SMDZSXGUSA-N 290.359 3.039 50 1 CGGF Cc1cccc(C2OOC(c3ccc(C=O)cc3)OO2)c1 72142422 ONDZYKKNEAEYBX-UHFFFAOYSA-N 286.283 3.415 50 1 CGGF O=C(NC1CCCCC1)Oc1ccc([N+](=O)[O-])cc1 43075873 SSYUDHVFKSKSJD-UHFFFAOYSA-N 264.281 3.016 50 1 CGGF Cc1ccc([C@@]2(C)CC[C@H](C(C)(C)O)OO2)cc1 1617731 FCQCSKGBKUYFSW-UKRRQHHQSA-N 250.338 3.092 50 1 CGGF biogenic CO[C@H]1[C@H]2O[C@@H](OO)C=C2C(C)(C)[C@H]2CCC(C)=C[C@H]21 238743041 VGOYYWQGZPKAAU-WKZARQIDSA-N 280.364 3.155 50 1 CGGF CCCc1ccc(Oc2ccc(/C=N/NC(N)=O)cc2)cc1 27315812 ACJTZJXCRJAKMZ-XDHOZWIPSA-N 297.358 3.434 50 1 CGGF CCC(CC)=NO[P@](N)(=O)NCCC(Cl)Cl 29470563 UQAFQEIYCXNIMY-INIZCTEOSA-N 290.131 3.029 50 1 CGGF C=C[C@@]1(C)CC[C@@H]([C@@H](C)C(=O)/C=C/C(C)(C)OO)O1 238755278 WKCHNXVWJKIODW-LEMVAQLRSA-N 268.353 3.140 50 1 CGGF C=C1CC/C=C(\C)C[C@@H]2OC(=O)C(=C)[C@H]2C[C@H]1OO 238751243 VJRAEZGZDCGNTL-QGBZXDMCSA-N 264.321 3.019 50 1 CGGF C[C@@H]1CCCC[C@@H]1c1cc(C(=O)NN)nc2ccccc12 299861490 IHKFNHOJSOAMSI-NEPJUHHUSA-N 283.375 3.132 50 1 CGGF CC1=C2C[C@@]3(C)[C@@H](CCC[C@H]3C)C[C@@]2(O)OOC1 2356759569 AGFJUBWRTFBUAS-AYRXBEOTSA-N 252.354 3.190 50 1 CGGF CC(C)C/C=C(\C=N\NC(=O)c1ccncc1)C(C)C 45315627 NEFGUOABIORSIT-ACNLDZBTSA-N 273.380 3.426 50 1 CGGF COc1ccc2c3c(ccc2c1)C(O)=C(C=O)CC3 17290104 GWOFSYNUPGXUBF-UHFFFAOYSA-N 254.285 3.263 50 1 CGGF Clc1cnc2[nH]c(CBr)nc2c1Cl 586971502 TVBVTHKJQQXSKN-UHFFFAOYSA-N 280.940 3.160 50 1 CGGF C[C@H](Br)c1nc2cc(C(F)(F)F)ncc2[nH]1 587009220 XTFIRVUJEDQZJQ-BYPYZUCNSA-N 294.074 3.433 50 1 CGGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(CCCl)O2 587370675 AULDWEBDSIHRBY-ZDUSSCGKSA-N 288.174 3.149 50 1 CGGF CCC[C@H](Cl)NOC(=O)Nc1cccc(C)c1 4172312 MVWFQGUSGAHBEU-LLVKDONJSA-N 256.733 3.413 50 1 CGGF CCCCSC1=C(C#N)C(=O)N[C@@H](c2ccco2)S1 6720942 JBQVHJXBEWDYBK-GFCCVEGCSA-N 294.401 3.410 50 1 CGGF CO[C@H]1[C@@H]2C=C(C)CC[C@H]2C(C)(C)C2=C[C@@H](OO)O[C@H]21 2356626367 VGOYYWQGZPKAAU-SOMZYNEFSA-N 280.364 3.155 50 1 CGGF N#C/C(=C\c1ccccc1)c1nc2cc(C#N)c(C#N)cc2[nH]1 587187729 KFPURXZVGGEHKA-GIDUJCDVSA-N 295.305 3.370 50 1 CGGF CCS[C@H]1NC(=O)[C@H]1[C@H](C)O[Si](C)(C)C(C)(C)C 195428565 IKAJSCSPWAOXBA-HOSYDEDBSA-N 289.517 3.222 50 1 CGGF COC(C)(C)[C@@H](Br)c1nc2cncc(C)c2[nH]1 586970455 BGTZGYZREUWATQ-JTQLQIEISA-N 298.184 3.127 50 1 CGGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCl)N1 587683477 HGHMTPZYNXCCSW-MUWHJKNJSA-N 292.579 3.402 50 1 CGGF N#C/C(=C1\OC(=N)[C@@H](c2ccccc2)C1=O)c1ccccc1 17188012 LBMMJPRALNYRKB-HLJDCIOESA-N 288.306 3.282 50 1 CGGF O=C(N/N=C/[C@H]1C[C@@H]2CC[C@H]1C2)[C@@H]1C[C@@H]1c1ccccc1 104322399 MAYMNKZQJBDATR-BHRDIRQKSA-N 282.387 3.328 50 1 CGGF N[C@H](CCl)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587012018 WEMNCJPGUKTSSV-ZCFIWIBFSA-N 298.095 3.474 50 1 CGGF CC1=C[P@](=O)(c2ccccc2)C[C@@H]1Br 64549360 FHSPRRPWDHWCFV-SMDDNHRTSA-N 271.094 3.356 50 1 CGGF C=C1C(C)=C(C#N)C(=O)N1c1ccccc1OC(F)(F)F 64426433 ABYHAOQGCJJHBD-UHFFFAOYSA-N 294.232 3.286 50 1 CGGF C=C(CC(=O)Cl)C(=O)c1coc2cc(C#N)ccc12 587278151 DOJWENLLGFWCQU-UHFFFAOYSA-N 273.675 3.199 50 1 CGGF C[C@@H](Cl)C(=O)c1coc2cc([N+](=O)[O-])ccc12 587280237 PGGCHQRTALJIRS-ZCFIWIBFSA-N 253.641 3.151 50 1 CGGF COc1cc2nc(/C=C/CBr)[nH]c2cc1C 586974165 RVMMTQJIFWHKBR-ONEGZZNKSA-N 281.153 3.288 50 1 CGGF O=C(N/N=C/c1ccc(Cl)cc1)c1cc(Cl)c[nH]1 64548475 FCNYVBYIIJXYGX-OMCISZLKSA-N 282.130 3.085 50 1 CGGF COc1ccc2ccc(=O)oc2c1/C=C/C(C)(C)OO 86037303 ATDXJDJBKABJRA-CMDGGOBGSA-N 276.288 3.083 50 1 CGGF biogenic,in-vitro C=C1CC[C@H](C(C)(C)O)CC2=C(C)[C@H](OO)C[C@H]12 238782579 VSUFADVRKDUZLO-OUCADQQQSA-N 252.354 3.308 50 1 CGGF O=C1Nc2ccc(OC(F)(F)F)cc2[C@]12C[C@H]2CCl 71318898 MNBVACDPUGQKSK-UPONEAKYSA-N 291.656 3.034 50 1 CGGF O=c1ccc2ccc(OCCCCBr)cc2o1 196397272 PGVJCIMXQOUGLH-UHFFFAOYSA-N 297.148 3.347 50 1 CGGF C=C(C(=O)OC)[C@@H]1CC[C@]2(C)CCC=C(C=O)[C@H]2C1 2356452914 HQPGFIHOVDBZME-XPKDYRNWSA-N 262.349 3.057 50 1 CGGF C=CCSSC=CC[S@@](=S)CC=C 2356413212 RFNJCYAIPUABMW-ZDUSSCGKSA-N 250.479 3.334 50 1 CGGF CN(C1=NC(=O)[C@](C)(CCCl)S1)c1ccccc1 103168444 GKLVKAJGGPLCNT-ZDUSSCGKSA-N 282.796 3.140 50 1 CGGF C=C1C[C@](CBr)(c2cccc(C)c2)OC1=O 1911586577 KWQZYXFVJUSXKI-ZDUSSCGKSA-N 281.149 3.088 50 1 CGGF Cc1cc(C(=O)NN/C=C2\C=Nc3ccccc32)cs1 13118969 AJKZOVSTPDCXRS-XYOKQWHBSA-N 283.356 3.048 50 3 CGGF Clc1cncc2nc(/C=C/CBr)[nH]c12 586974294 VBBVVRSQCDDLGO-OWOJBTEDSA-N 272.533 3.019 50 1 CGGF Cc1cc(N)c2c(c1)C(=O)C[C@H](CCCCCl)O2 587376298 RNRJZPZFXJWWEG-JTQLQIEISA-N 267.756 3.320 50 1 CGGF CC(/C=C/C=O)=C\COc1cc(=O)oc2cccc(C)c12 14488843 QRTCKTZJMAEBCA-CGJKORLASA-N 284.311 3.182 50 1 CGGF CN1[C@H]2CC[C@H]1CC(OC(=O)[C@@H](Cl)c1ccccc1)C2 169341688 KEXWPNSAABHTCM-YDHLFZDLSA-N 293.794 3.135 50 1 CGGF CC[C@@H]1C[C@]2(CC)OC(=O)[C@]3(CC)OO[C@H](CC)[C@@H]1[C@H]23 2356642338 DDIVIPPIFILELB-FOQYWMHZSA-N 282.380 3.244 50 1 CGGF O=C(c1coc2cc([N+](=O)[O-])ccc12)[C@H](Cl)CCl 587280546 ZPWPEULSRVUMRQ-SECBINFHSA-N 288.086 3.370 50 1 CGGF CC1CCC(c2cc(C(=O)NN)nc3ccccc23)CC1 299860774 HBWKNTIRLSZRBO-UHFFFAOYSA-N 283.375 3.132 50 1 CGGF C=CCC[C@]1(CCl)CC(=O)c2cc(C)cc(N)c2O1 587374291 VQPXSIAZDIXENQ-OAHLLOKOSA-N 279.767 3.486 50 1 CGGF C=C1C[C@H](O)[C@H](Br)C(C)(C)[C@]12C=CC(=O)CC2 1655201 ZERRJERBGYWIKI-OBJOEFQTSA-N 299.208 3.002 50 1 CGGF biogenic Clc1ccc2nc(/C=C/CBr)[nH]c2n1 586973792 OQFXZPDHPMLGNC-OWOJBTEDSA-N 272.533 3.019 50 1 CGGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(C(C)C)O2 587372375 KUTODJDPEJZZEX-AWEZNQCLSA-N 267.756 3.176 50 1 CGGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCl)N1 587683476 HGHMTPZYNXCCSW-IMTBSYHQSA-N 292.579 3.402 50 1 CGGF C[C@H]1C=CN(C)c2c1c1c(n2C)CC[C@@H]1OCCCl 101614230 ZPCZZAHGSUQXMT-JQWIXIFHSA-N 280.799 3.335 50 1 CGGF CC1(C)OO[C@]2(CI)CCC[C@H]1C2 43393856 VDSFLTPPDLYDCA-WCBMZHEXSA-N 296.148 3.091 50 1 CGGF O=CC=CC=CC=CC=CC=CC=CC=CC(=O)O 2356600986 GIIWFUDWDOUFTE-UHFFFAOYSA-N 256.301 3.163 50 1 CGGF C=C1CC[C@@]2(O)C[C@@]3(CC[C@H](C(C)C)[C@@H]3C1)OO2 2356792558 JVVCXQKBJAJHAQ-BARDWOONSA-N 252.354 3.188 50 1 CGGF C=C1C[C@@](CBr)(c2ccccc2C)OC1=O 1911576821 QDNLGPUMHLIOSB-CYBMUJFWSA-N 281.149 3.088 50 1 CGGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCC[C@@H]1Cl)O2 587380290 CWIMCBQGENIYRZ-DZGCQCFKSA-N 279.767 3.463 50 1 CGGF CC(=O)OCC1=CCCC(C=O)=C[C@H]2[C@@H](CC1)C2(C)C 2356584869 VGOHBZXHAWVRBT-CVEARBPZSA-N 276.376 3.447 50 1 CGGF Cc1ccc(/C=C(/C#N)c2nc3cc(N)c(N)cc3[nH]2)cc1 587187100 BZDRQFJLSQNRHI-SDQBBNPISA-N 289.342 3.100 50 1 CGGF CN1[C@@H]2CC[C@@H]1CC(OC(=O)[C@@H](Cl)c1ccccc1)C2 169341685 KEXWPNSAABHTCM-NFAWXSAZSA-N 293.794 3.135 50 1 CGGF C[C@H]1CCO[C@@H]2O[C@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@@]24OO3 100973671 QGTNBZCODYOPJL-ZAJFYCSQSA-N 282.380 3.258 50 1 CGGF O[C@H](CCl)CNc1cccc(Cl)c1Cl 29126270 BTHHIYRPUOJHHZ-ZCFIWIBFSA-N 254.544 3.005 50 1 CGGF C[C@H]1CCO[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]42OO3 43834883 QGTNBZCODYOPJL-RZUNORGTSA-N 282.380 3.258 50 1 CGGF C/C=C(/CO)C(=O)OC/C=C\SS[C@H](C)CC 221088086 CYUXEJLWTIKXHP-KYYCRVGISA-N 276.423 3.162 50 1 CGGF C[C@@H]1CCC[C@@H]2C[C@]3(O)OOC(C)(C)C3=C[C@@]12C 2356401945 UUSCHOCDYWYUOQ-FIXIBIHLSA-N 252.354 3.188 50 1 CGGF CC1=C(CCCl)C(=O)NC1=C[C@@H]1C=CCCC1 2356567423 TYKRNMMBBIULPC-LLVKDONJSA-N 251.757 3.302 50 1 CGGF BrCc1nc2cccc(Br)c2[nH]1 586971644 VDSQNZYTQGSMOB-UHFFFAOYSA-N 289.958 3.220 50 1 CGGF CCOP(=O)(CCCCN=C=S)OCC 1772614793 QCWCDUINEIYUQV-UHFFFAOYSA-N 251.288 3.136 50 1 CGGF N#C/C(=C\c1ccccc1)c1nc2cnc(Cl)[nH]c-2n1 587188754 VHYPGDVINIZXGW-UXBLZVDNSA-N 281.706 3.022 50 1 CGGF CC[C@]1(CCl)N[C@H](C)Cc2c(OC)ccc(OC)c21 963634673 LHGQZJIOHCNYOS-MEBBXXQBSA-N 283.799 3.082 50 1 CGGF CC1=C2C[C@]3(C)[C@H](C)CCC[C@@H]3C[C@]2(O)OOC1 2356759570 AGFJUBWRTFBUAS-GBOPCIDUSA-N 252.354 3.190 50 1 CGGF CC(=O)O[C@@H]1C[C@@H](C)C(C=O)=C2[C@@H]1C(C)(C)C[C@H]2C 85883721 HAEYAYBKSHUKRO-HMYIPDOQSA-N 264.365 3.136 50 1 CGGF COc1cc(OC)c(/C(=C\C=O)c2ccccc2)cc1O 238787453 XUJPXFOWZHBZIJ-JYRVWZFOSA-N 284.311 3.040 50 1 CGGF C#CC=CC[C@H](Cl)[C@H]1CCC(=O)C=C[C@H](CC)O1 2356485664 OQCPIRSOVPXDNM-SOUVJXGZSA-N 266.768 3.256 50 1 CGGF COc1ccc(COc2cccc(/C=C/C=O)c2)cc1 29483549 DELDHWOYJGKMGK-HWKANZROSA-N 268.312 3.486 50 1 CGGF NC(=O)N/N=C/c1ccc(Oc2ccc(Cl)cc2)cc1 27313646 RDSXMWPLZFRVOT-RQZCQDPDSA-N 289.722 3.135 50 1 CGGF Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C(\O)C1CC1 100785244 NOUQCTFSKJVTRS-QBFSEMIESA-N 276.723 3.333 50 1 CGGF C=C[C@@](C)(Cl)[C@@H](Cl)C=CC(=CCl)CO 2356470150 PORLDPZDDAKKST-VHSXEESVSA-N 255.572 3.449 50 1 CGGF COC(C)(C)[C@@H](Br)c1nc2ccccc2[nH]1 586971663 VYABCAWHFWWIIM-JTQLQIEISA-N 283.169 3.424 50 1 CGGF Cc1cc(F)c2[nH]c(/C=C/CBr)nc2c1 586973177 GDYCXSINKLLPCS-NSCUHMNNSA-N 269.117 3.419 50 1 CGGF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2C(Cl)Cl 963607014 ISMKRPIRHFZQLS-JMCQJSRRSA-N 290.190 3.083 50 1 CGGF N#C/C(=C(/O)c1ccc([N+](=O)[O-])o1)c1nc2ccccc2[nH]1 101637328 YWCPFQSTQIPHPN-JYRVWZFOSA-N 296.242 3.014 50 1 CGGF Cc1ccc([C@@]2(C)CC[C@@H](C(C)(C)O)OO2)cc1 1617729 FCQCSKGBKUYFSW-DZGCQCFKSA-N 250.338 3.092 50 1 CGGF biogenic CC1=C(C#N)[C@H](c2cccnc2)C2=C(O)CCCC2=N1 759419 CDRRSIQFZJLCKU-HNNXBMFYSA-N 265.316 3.413 50 1 CGGF CC(=O)OCC1=CCCC(C=O)=C[C@@H]2[C@H](CC1)C2(C)C 2356584871 VGOHBZXHAWVRBT-JKSUJKDBSA-N 276.376 3.447 50 1 CGGF C[C@]1(O)CC[C@@H]2C[C@@H]1OO[C@]2(C)CSc1ccccc1 1772571106 OIGMNEOVBPJXIP-SYAUCNOPSA-N 294.416 3.419 50 1 CGGF C[C@@H]1CC[C@@H]2[C@@H](C)CO[C@H]3OC4(CCCC4)OO[C@@]32C1 43834147 LMWHOMOWYGPPAI-YMSVYLFOSA-N 282.380 3.403 50 1 CGGF O=c1cc(CBr)c2cc3ccoc3cc2o1 64549957 DHJPGNFCNCQUMP-UHFFFAOYSA-N 279.089 3.434 50 1 CGGF O=C/C=C/c1ccccc1OC(=O)c1ccc(F)cc1 29482347 HZWOIOCLGPQNKA-HWKANZROSA-N 270.259 3.257 50 1 CGGF C=C(c1ccc(F)cc1)[C@H]1COC2(CCCC2)OO1 43100481 CZHFEFAMRPTVQS-CQSZACIVSA-N 264.296 3.456 50 1 CGGF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCl)N1 587683479 HGHMTPZYNXCCSW-RCOVLWMOSA-N 292.579 3.402 50 1 CGGF COC(C)(C)[C@@H](Br)c1nc2ccc(C)nc2[nH]1 586970611 CVSHJEXIVIPNNI-VIFPVBQESA-N 298.184 3.127 50 1 CGGF N#C/C(=C/c1ccccc1)c1nc2cccc(C(=O)O)c2[nH]1 587187466 HTBQGPODPWQKHM-XFXZXTDPSA-N 289.294 3.325 50 1 CGGF CC1(C)O[C@]2(CI)CCC[C@H]1C2 27525101 FPHGIWXRSSQHRJ-WCBMZHEXSA-N 280.149 3.159 50 1 CGGF C=C1CC[C@@H]2C(=C)C(=O)O[C@@H]2C=C(C)CC[C@H]1OO 2356657514 IXRHWRRLTANMPL-MGPQQGTHSA-N 264.321 3.019 50 1 CGGF CC1(C)OC(=C(C#N)C#N)C(C#N)=C1/C=C/c1ccncc1 73257592 XXPCRXZTYVDCJZ-ONEGZZNKSA-N 288.310 3.025 50 1 CGGF Cc1ccc(C2OOC(c3ccc(CO)cc3)OO2)cc1 72173619 YMDLDALNWJJBLW-UHFFFAOYSA-N 288.299 3.095 50 1 CGGF CCCCCCC/C=N/NC(=O)CCCCCC(=O)O 95809008 KPVVLFHGAMTUMS-DTQAZKPQSA-N 284.400 3.484 50 1 CGGF Fc1ccc2nc(/C=C/CBr)[nH]c2c1 586973767 ODPIJOVZJXGTJF-OWOJBTEDSA-N 255.090 3.110 50 1 CGGF COC(=O)c1c(CCl)[nH]c2ccc(F)c(Cl)c12 587628381 NGZXPTVDIGJKCA-UHFFFAOYSA-N 276.094 3.486 50 1 CGGF CC/C(=N/NC(N)=O)c1ccc(Oc2ccccc2)cc1 27319301 SSKVAVTXQMFCDU-SDXDJHTJSA-N 283.331 3.261 50 1 CGGF CC(=O)N/N=C/c1ccc(Oc2ccc(F)cc2)cc1 27313626 DZZXXTPUCHAQEV-LICLKQGHSA-N 272.279 3.088 50 1 CGGF O=C(N/N=C/[C@H]1C[C@H]2CC[C@H]1C2)[C@@H]1C[C@@H]1c1ccccc1 111089119 MAYMNKZQJBDATR-ZKHVOTNFSA-N 282.387 3.328 50 1 CGGF C[C@H](c1ccc(Cl)cc1)C1C2(C)OOC1(C)OO2 95556867 RSRKRZGYSVIVST-JXUZGUSMSA-N 270.712 3.416 50 1 CGGF