smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C=C1C(CCCC)=C(C#N)C(=O)N1c1ccccc1OC(F)(F)F 64415663 PDHNHKBEYFVDTB-UHFFFAOYSA-N 336.313 4.456 50 1 EIGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OC(C)(C)C)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]23OO4 195297353 PIIQBEAIJBJGLJ-URANKAKESA-N 340.460 4.010 50 1 EIGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(C)(C)C)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]23OO4 195297374 PIIQBEAIJBJGLJ-MQXTWHSHSA-N 340.460 4.010 50 1 EIGF CN[C@]1(C)CC[C@H]2[C@H]3[C@H]4[C@@H](C[C@H](C)[C@](C)(N=C=O)[C@@H]4CC[C@H]31)C[C@H]2C 2356857705 SLSPGCWJBGBWCZ-XAGJUOBRSA-N 344.543 4.423 50 1 EIGF Cc1ccc(/C=C(/C#N)c2nc3c(Br)ccnc3[nH]2)cc1 587187098 BXGXREBRZJFSBH-WQLSENKSSA-N 339.196 4.093 50 1 EIGF C/C(=N\NC(=O)Nc1ccc(Br)cc1)c1ccc(C)cc1 6040363 KVMAUXDZOKBMOC-XDHOZWIPSA-N 346.228 4.303 50 1 EIGF C[C@H](Br)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587008287 LEDWXAQVDDRIFB-BYPYZUCNSA-N 344.081 4.068 50 1 EIGF CC[C@H](C)[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587542287 GKKHGNVNPUFSGH-XGINMYPSSA-N 346.810 4.378 50 1 EIGF CC(C)(C)O/C=C1/C(=O)O[C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]12 195516430 NZOSXMAUPPFBKC-ZHYCYAFXSA-N 340.536 4.411 50 1 EIGF C=C1CC[C@H](C(C)C)C=C[C@](C)(O)C[C@@H](O)C=C(C)CC[C@H]1OO 2356391808 DKVSLOHNSJTRIQ-HAGHYFMRSA-N 338.488 4.252 50 1 EIGF C[C@H](c1ccc(CBr)cc1)c1nc2ccc(CO)cc2[nH]1 586974288 UYWIMZWULFOOBI-LLVKDONJSA-N 345.240 4.102 50 1 EIGF O=C(CCCl)Nc1c(-c2ccccc2)[nH]c2cc([N+](=O)[O-])ccc12 587645112 VXGYXNZMWRKONW-UHFFFAOYSA-N 343.770 4.311 50 1 EIGF C=C1CC[C@@H](C(C)C)/C=C/[C@@](C)(O)C[C@@H](O)/C=C(\C)CC[C@@H]1OO 238752514 DKVSLOHNSJTRIQ-KPMUHUKBSA-N 338.488 4.252 50 1 EIGF CCCCOC(=O)O[C@@H]1CC[C@@]2(C)C[C@H]3CC[C@@]2(OO3)C1(C)C 253696924 PGXROGJUTKCNEB-KJWYOANISA-N 326.433 4.388 50 1 EIGF C=C[C@](C)(O)CC[C@]1(O)[C@@H](C)CC[C@@H]2C(C(C)(C)OO)=CC[C@]21C 140211108 UZFSKYTVNZVLCY-XZANERMPSA-N 338.488 4.085 50 1 EIGF FS(F)(F)(F)(F)c1ccc2nc(CC3OCCO3)[nH]c2c1 586907158 FGVZVESBOJKJTA-UHFFFAOYSA-N 330.278 4.136 50 1 EIGF CCC[C@@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587688699 NFIUGAVEGINIFM-XPTSAGLGSA-N 334.660 4.357 50 1 EIGF O=c1nc(CCl)n(-c2cccc(C(F)(F)F)c2)c2ccccc12 27650492 JHRULMAQUOXUOX-UHFFFAOYSA-N 338.716 4.143 50 1 EIGF COc1ccc(Cl)cc1C#Cc1ncccc1CBr 587898615 NOWKLKAEJKJJHY-UHFFFAOYSA-N 336.616 4.038 50 1 EIGF CCOc1cc(/C(=C/C#N)c2cc(OC)cc(OC)c2)ccc1OC 84544553 UZJJLBYHSDGPBB-LSCVHKIXSA-N 339.391 4.066 50 1 EIGF C[C@@H](NC(=O)[C@@H](Br)C(C)(C)C)c1ccc(Cl)cc1 103178064 LOGHWBBZMUTRQJ-BXKDBHETSA-N 332.669 4.327 50 1 EIGF COc1cc2c3c(c1)O[C@@](c1ccccc1)(C(Cl)Cl)[C@@H](C2)C3=O 587416922 GHSKBDWJVXOGQS-SCLBCKFNSA-N 349.213 4.142 50 1 EIGF C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](/C=C/C#N)CC[C@]12O 84632024 UPFHMXSYKCTNFB-XHPRKXLUSA-N 343.511 4.201 50 1 EIGF C#C/C=C/C[C@@H]1O[C@H]([C@H](Br)CC)CC=CC[C@H]1Cl 166491345 BWALZYVILRSXNY-PDJQHHMLSA-N 331.681 4.451 50 1 EIGF [C-]#[N+][C@@H]1[C@H]2C(=O)c3c(NC=O)cccc3C(C)(C)[C@@H]2CC[C@]1(C)C=C 238739869 JECFIXMTIIOGJS-QTRJSKNGSA-N 336.435 4.235 50 1 EIGF C[C@H](Br)c1nc2cc(Cl)cc(Br)c2[nH]1 587009065 UIKCOIIDEVRMLU-BYPYZUCNSA-N 338.430 4.435 50 1 EIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C(Cl)Cl)N1 587687746 HPXPZEZSGDBKHJ-QTTZVWFDSA-N 341.051 4.141 50 1 EIGF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C=O)[C@@H](CCO)CC(C=O)=CC[C@@H]12 2356397901 KEGBEVVGLQFNOV-UWRIJYQHSA-N 346.511 4.332 50 1 EIGF CS(=O)(=O)/C=C/c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586928141 YAERRQZKBZNHQY-SNAWJCMRSA-N 348.318 4.236 50 1 EIGF CC1(C)[C@H](OC(=O)c2ccccc2)CC[C@]2(C)C[C@@H]3CC[C@@]12OO3 101191894 ZGEZBEGUEKLVRK-LNKGRISISA-N 330.424 4.291 50 1 EIGF C#C/C=C\C[C@@H]1O[C@@H]([C@@H](Br)CC)CC=CC[C@@H]1Cl 140122414 BWALZYVILRSXNY-DUOOICOHSA-N 331.681 4.451 50 1 EIGF COc1ccc(Cl)cc1C#Cc1ccc(C(=O)Cl)c(OC)c1 587903774 PKBKZIXLHDIGKL-UHFFFAOYSA-N 335.186 4.136 50 1 EIGF C=C(CC[C@@H](O)c1ccc(Cl)cc1)[C@H]1COC2(CCCC2)OO1 43356641 DCUMUOKAYIEYGR-IAGOWNOFSA-N 338.831 4.327 50 1 EIGF C/C(C#N)=C1\CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C 71281675 TXPKEBVGMYWHJR-JATSAMCOSA-N 341.495 4.409 50 1 EIGF COC(C)(C)[C@@H](Br)c1nc2ccc(SC)cc2[nH]1 586970912 IHNFPLHBFJCEBN-NSHDSACASA-N 329.263 4.146 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)ccc1C)O2 587373182 QFTVEKYXJLQRKC-IBGZPJMESA-N 329.827 4.294 50 1 EIGF Cc1ccc2ccc3c(c2n1)OC(N)=C(C#N)[C@@H]3c1ccc(Cl)cc1 103186035 VTGDHSHQGSHPOQ-QGZVFWFLSA-N 347.805 4.415 50 1 EIGF CCCCOC(=O)O[C@@H]1CC[C@]2(C)C[C@@H]3CC[C@@]2(OO3)C1(C)C 169367702 PGXROGJUTKCNEB-MJSCVDMRSA-N 326.433 4.388 50 1 EIGF CC(C)[C@@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 587499336 MDEIJMXRCXPISO-KRWDZBQOSA-N 337.257 4.320 50 1 EIGF COC(=O)c1ccccc1SSc1n[nH]c(-c2ccccc2)n1 103213157 MTOBMXFAJQAMOZ-UHFFFAOYSA-N 343.433 4.058 50 1 EIGF c1ccc([C@]23OO[C@H](C4CCCCC4)OO[C@H]2[C@@H]2CC[C@H]3C2)cc1 195204379 COADCJGMCLNEBK-DABHTEOTSA-N 330.424 4.497 50 1 EIGF C/C(=N\NC(=O)c1cc2ccccc2n1Cc1ccccc1)C1CC1 1857596221 ZEOWIWLJHAOUGV-PXLXIMEGSA-N 331.419 4.205 50 1 EIGF CC(=CCl)[C@H](Cl)CC(Cl)=C(C)[C@H](O)CBr 2356649636 SQYDBYIHOGYNDJ-PSASIEDQSA-N 336.484 4.395 50 1 EIGF C[C@@H]1CC[C@H]2CCO[C@@H]3O[C@@]4(CCc5ccccc5)CC[C@@H]1[C@@]23OO4 43379945 GNMPJEQAJJPREJ-RPFUTYDWSA-N 344.451 4.235 50 1 EIGF C=C(C)[C@H](CC/C(C)=C\COc1cc(O)cc2oc(=O)ccc12)OO 238786781 WUMPJBOGGVGFTH-RQPMMQJISA-N 346.379 4.038 50 1 EIGF COc1ccc2c(c1)[C@H](c1ccc(OCCCl)cc1)N[C@@H]1CC[C@@H]21 962991923 GBMQSARKCXLFSV-SXLOBPIMSA-N 343.854 4.251 50 1 EIGF COc1ccc(C[C@H](C#N)/C(C#N)=C/c2ccc(OC)c(OC)c2)cc1 38494151 KGCCITMWQZHGKS-AUUUKSDWSA-N 348.402 4.002 50 1 EIGF in-vitro COc1cc2c3c(c1)O[C@@](CCCCl)(c1cccs1)[C@@H](C2)C3=O 587453710 YRXFPWDJMDJKTJ-SCLBCKFNSA-N 348.851 4.419 50 1 EIGF C=C[C@](C)(O)CC[C@@]1(O)[C@@H](C)CC[C@@H]2C(C(C)(C)OO)=CC[C@]21C 140211251 UZFSKYTVNZVLCY-WOTMYXIFSA-N 338.488 4.085 50 1 EIGF CC[C@]1(CCCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587683962 IPSJUVPCFJUYRZ-LKFCYVNXSA-N 334.660 4.357 50 1 EIGF C=C(C)[C@H](CCC(C)=CCOc1ccc2ccc(=O)oc2c1)OO 2356726143 GFNDGCJFPVJMQB-KRWDZBQOSA-N 330.380 4.333 50 1 EIGF Cc1cc2c(cc1Br)[C@]1(C)CC[C@](C)(OO)[C@]1(C)O2 2356790417 FNWOQLFZFOMWOI-SOUVJXGZSA-N 327.218 4.208 50 1 EIGF CC(C)(Cl)[C@H](Br)C[C@H]1O[C@@]1(C)C=CBr 2356792136 JJAKCZPNSKIAGQ-MRTMQBJTSA-N 346.490 4.224 50 1 EIGF C/C(=N\NC(=O)c1ccccc1)c1ccc(-n2c(C)ccc2C)cc1 103238047 YBLHHHZZRVGGDL-OQKWZONESA-N 331.419 4.248 50 1 EIGF C/C=C/C=C/C=C(\C=O)[C@H](OCc1c(O)cccc1CCC)C(C)=O 221082635 PKFDPDJJEWMKLV-IIVZXGPDSA-N 342.435 4.077 50 1 EIGF CC[C@@]1(CCCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587683966 IPSJUVPCFJUYRZ-XPTSAGLGSA-N 334.660 4.357 50 1 EIGF N#CC1=COc2ccccc2[C@]12NCCc1c(Cl)cc(Cl)cc12 963112909 SXEOKZQQUCXIOT-GOSISDBHSA-N 343.213 4.183 50 1 EIGF CC(C)(F)[C@H](Br)c1nc2cc(Cl)nc(Cl)c2[nH]1 587086964 KGLFTQZFHVCJGZ-SSDOTTSWSA-N 341.011 4.449 50 1 EIGF COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)([C@@H](C)Cl)[C@@H](C2)C3=O 587416637 BUNPDCHZFKKITD-ADYAMRHXSA-N 342.822 4.274 50 1 EIGF O=C(N/N=C/c1ccncc1)Nc1ccccc1Oc1ccccc1 98085337 CQMVMFADYCEJLV-KGENOOAVSA-N 332.363 4.030 50 1 EIGF COc1cc2nc([C@@H](C)c3ccc(CBr)cc3)[nH]c2cn1 586974550 XUTOABYTZNIJOQ-JTQLQIEISA-N 346.228 4.013 50 1 EIGF O=C(NNc1nc2ccccc2s1)c1ccc(-c2ccccc2)o1 1857772112 KQSYMBGKBMXDSZ-UHFFFAOYSA-N 335.388 4.313 50 1 EIGF CC(C)C(C=O)=CC[C@@H]1C(=O)CC[C@H]2[C@]1(C)CCC[C@@]2(C)C(=O)O 2356381138 AZDNKBZTUMFXFL-MCYKXBRJSA-N 334.456 4.034 50 1 EIGF O=C(Cc1ccc2ccccc2c1)NNc1c(Cl)cncc1Cl 84759559 AWEJFCWPVRTPCN-UHFFFAOYSA-N 346.217 4.227 50 1 EIGF N#Cc1ccc2c(C(=O)CS[C@@H](Cl)C(F)(F)F)coc2c1 587278265 LXTOJJBXPABAJW-GFCCVEGCSA-N 333.718 4.348 50 1 EIGF C[C@H](Cl)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587323552 KYSLBNLCCHBISJ-BMIZZYGASA-N 334.774 4.276 50 1 EIGF O=C(CCl)Nc1cc(Cl)cc(C(=O)c2ccccc2Cl)c1 84403392 YQSAPERGRQWSSY-UHFFFAOYSA-N 342.609 4.402 50 1 EIGF C[C@@H](Cl)C(=O)Nc1c(-c2ccccc2)[nH]c2c(C(=O)O)cccc12 587639273 ZCLZSLPTJHMVCJ-SNVBAGLBSA-N 342.782 4.099 50 1 EIGF CCCCN(CCCC)c1ccc(/C=C(\C#N)C(=O)O)c(OC)c1 205339157 GDFPRWXAPVVXKC-FOWTUZBSSA-N 330.428 4.093 50 1 EIGF COC(C)(C)[C@H](Br)c1nc2ccc(SC)cc2[nH]1 586970909 IHNFPLHBFJCEBN-LLVKDONJSA-N 329.263 4.146 50 1 EIGF N#C/C(=C/c1ccccc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587186926 AJJSSUOMRAZKAW-TWGQIWQCSA-N 349.703 4.041 50 1 EIGF CCO/C=C(\C#N)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586989152 ZBKKJCVMJKVIGG-VAWYXSNFSA-N 342.354 4.053 50 1 EIGF C=C[C@](C)(O)CC[C@H]1[C@@]2(C)CC[C@@H](O2)[C@]1(C)CC=CC(C)(C)OO 2356437255 MMDGRRLDAOVYIQ-SCQOQHIRSA-N 338.488 4.492 50 1 EIGF Cc1cc(C(=O)N/N=C\c2ccc(-c3ccc(F)cc3)o2)c(C)o1 33381179 IEJYOJGJILUFQF-JMIUGGIZSA-N 326.327 4.059 50 1 EIGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(C)c(C)c1)[C@@H](C2)C3=O 587416986 HOIXVEMDDLPVLO-JXFKEZNVSA-N 342.822 4.194 50 1 EIGF CC(C=CC=O)=C1C(=O)C[C@@H]2[C@]1(C)CC[C@@H]1C(C)(C)C(=O)CC[C@@]12C 2356802631 SMOCCDQLCDXRAO-CTOYSFNJSA-N 342.479 4.459 50 1 EIGF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C[C@H]1Cl 587462567 RDNQZWUOOCPPGS-QUCCMNQESA-N 342.822 4.369 50 1 EIGF COc1ccc(Cl)cc1C#Cc1ccc(C(=O)CCl)cc1F 587916106 CJORWJVKDLBONR-UHFFFAOYSA-N 337.177 4.309 50 1 EIGF C=C1CC[C@]2(C)C(C)(C)CCC[C@]2(C)[C@@H]1[C@@H]1C=C(C=O)C[C@H](O)OO1 2356709159 QHXJLDRTDTZAFU-ARXXEPJESA-N 348.483 4.340 50 1 EIGF CCOc1cc(/C(=C\C#N)c2cc(OC)cc(OC)c2)ccc1OC 73169664 UZJJLBYHSDGPBB-QGMBQPNBSA-N 339.391 4.066 50 1 EIGF CN(C)C[C@H](Br)c1ccc(Cl)c(Br)c1 169345644 MJUYWRUTTLNBIQ-VIFPVBQESA-N 341.474 4.100 50 1 EIGF CCCCOC(=O)O[C@@H]1CC[C@@]2(C)C[C@@H]3CC[C@@]2(OO3)C1(C)C 169367699 PGXROGJUTKCNEB-IHETXDGRSA-N 326.433 4.388 50 1 EIGF FC(F)(F)Oc1ccc2nc(CCCCBr)[nH]c2c1 586972128 HJBWAIJLYFXKKU-UHFFFAOYSA-N 337.139 4.179 50 1 EIGF Cc1cc(Br)cc2nc(/C=C/CBr)[nH]c12 586972559 WQMXGYYSRLASJR-NSCUHMNNSA-N 330.023 4.042 50 1 EIGF N#C/C(=C/c1ccccc1)c1nc2ccc(Br)c(O)c2[nH]1 587187276 DHSLGGZRVLEKMH-FLIBITNWSA-N 340.180 4.095 50 1 EIGF CC1CCN(C(=S)SSC(=S)N2CCC(C)CC2)CC1 45301173 ZJWKZFMAEHKGBA-UHFFFAOYSA-N 348.628 4.401 50 1 EIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C(C)(C)CCl)N1 587684750 LZMHYBGWCHZXDK-OQPBUACISA-N 334.660 4.429 50 1 EIGF CS(=O)(=O)c1ccc2[nH]c(CCl)c(Oc3ccccc3)c2c1 587649777 SXTZZEVOPTZHOO-UHFFFAOYSA-N 335.812 4.103 50 1 EIGF CCC[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587688382 MBCNVUPQCMNKPD-YMTOWFKASA-N 334.660 4.357 50 1 EIGF N#C/C(=C\c1ccccc1)c1nc2cc(C#N)cc(Br)c2[nH]1 587188778 WPBYJNGCJQDULH-AWNIVKPZSA-N 349.191 4.261 50 1 EIGF COc1cc2c3c(c1)O[C@](Cc1ccccc1)([C@@H](C)Cl)[C@@H](C2)C3=O 587418042 RHAINTGDJVDYSO-ADYAMRHXSA-N 342.822 4.051 50 1 EIGF CC[C@@H]1OC(=O)CCCCCCCC=C[C@@H]2[C@H](O)[C@@H](Cl)C[C@H]12 2356416854 HXFOJGYVWJVNOO-DNCCFGNJSA-N 328.880 4.213 50 1 EIGF C#CC=CCC=CC[C@@H]1O[C@H](CC)[C@@H](Br)C[C@@H]1Cl 2356497223 FXXNVLKJOSSFCK-XQLPTFJDSA-N 331.681 4.451 50 1 EIGF CC(C)(C)N(NC(=O)c1ccccc1F)C(=O)c1ccccc1Cl 103183502 IDPSJFMXNSAMMF-UHFFFAOYSA-N 348.805 4.065 50 1 EIGF CCC[C@@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587688380 MBCNVUPQCMNKPD-XPTSAGLGSA-N 334.660 4.357 50 1 EIGF C=C1OC[C@@H]2O[C@]3(C)CC[C@H](Br)C(C)(C)[C@@H]3CC=C12 2356409651 OKTAMXLCOFNHEH-RZLSGREXSA-N 327.262 4.204 50 1 EIGF CC(C)OP(=O)(OC(C)C)C(=O)Oc1ccc([N+](=O)[O-])cc1 3653654 DQACQTNYLKASSY-UHFFFAOYSA-N 331.261 4.137 50 1 EIGF C#CC=CCC=CC[C@@H]1O[C@H]([C@H](Br)CC)C[C@@H]1Cl 2356645749 CUPRGZVKNKNTTN-QPSCCSFWSA-N 331.681 4.451 50 1 EIGF C=C[C@](C)(Cl)[C@@H](Cl)C=CC(C)=CC[C@H](O)C(=C)CC(=O)O 2356664640 CYRVLPXRQULBHZ-DZKIICNBSA-N 333.255 4.062 50 1 EIGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(C)cc1C)[C@@H](C2)C3=O 587417241 KJMOVMNFDAPCHI-JXFKEZNVSA-N 342.822 4.194 50 1 EIGF CCCCC/C=C\C/C=C\C/C=C\C=C\[C@@H](O)CCCC(=O)NN 29563613 ODLQOFNAOVWQKV-JGKLHWIESA-N 334.504 4.093 50 1 EIGF C=C(C)[C@H](CC[C@]1(C)C=Cc2c(ccc3ccc(=O)oc23)O1)OO 86051714 QGZAVSKJRVEPBX-KXBFYZLASA-N 328.364 4.172 50 1 EIGF CCCS(=O)(=O)/C(C#N)=C/c1sccc1Oc1ccccc1 149664 UHRFVDLCCRKROQ-SDNWHVSQSA-N 333.434 4.230 50 1 EIGF N#C/C(=C/c1ccccc1Cl)CNC(=S)Nc1ccccc1 40763144 WLHZMXGSUQDERG-RAXLEYEMSA-N 327.840 4.234 50 1 EIGF CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccnc2ccccc12 49066605 IHSFDVZRVMMXQJ-CXUHLZMHSA-N 349.397 4.243 50 1 EIGF C[C@@]1(CC(=O)NCc2cccc(Cl)c2)CC2(CCCCC2)OO1 49709622 CVYPJFLZLTYYGL-QGZVFWFLSA-N 337.847 4.160 50 1 EIGF N#C/C(C(=O)Nc1ccccc1)=C(/O)c1ccc(C(F)(F)F)cc1 100883257 BRWULDMRPQGBGH-PFONDFGASA-N 332.281 4.137 50 1 EIGF N#C/C(=C\c1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1)C(N)=O 45506680 PCFQUUNVRNAUQG-WOJGMQOQSA-N 340.382 4.118 50 1 EIGF CCCCCCCCCSC(=S)NNC(=O)c1ccncc1 169336963 OYZBTJHDOWJXIC-UHFFFAOYSA-N 339.530 4.085 50 1 EIGF C=C(C)[C@@H]1C[C@H](O)C(C)=CCCC(=C)[C@H](OO)CC[C@@]2(C)O[C@H]2C1 2356532778 XRZMOXDNLVHOGQ-UJMXGEILSA-N 336.472 4.412 50 1 EIGF CCOC(=O)/C(C#N)=C\Nc1ccc2c(c1)c1ccccc1n2CC 14956337 DGFZZKPJMPISQU-YPKPFQOOSA-N 333.391 4.197 50 1 EIGF Cc1ccccc1C(=O)NN(C(=O)c1ccccc1Cl)C(C)(C)C 103183504 AGKKEYBHKKSJSF-UHFFFAOYSA-N 344.842 4.234 50 1 EIGF CC(C=O)=CCC[C@H](C)CC(=O)OCC[C@H](C)CCC=C(C)C=O 2356584094 SOBOYKNHEAFZOH-SJORKVTESA-N 336.472 4.433 50 1 EIGF O=C1c2ccccc2-c2c(CCBr)cnc3cccc1c23 587102814 YZMSIHMTECUIKF-UHFFFAOYSA-N 338.204 4.384 50 1 EIGF COc1ccc(Cl)cc1C#Cc1ccc(C[C@H](C)N=C=O)cc1 587905934 NMHSOPLZEHYUOP-AWEZNQCLSA-N 325.795 4.015 50 1 EIGF C=C(C)[C@@H](CC/C(C)=C/COc1ccc(/C=C\CO)cc1OC)OO 85613428 IEBYVGAYRVEKGY-IFASGWGQSA-N 348.439 4.240 50 1 EIGF C=C1[C@H]2c3ccccc3[C@@H](C[C@]2(C)O[Si](C)(C)C)N1C(=O)OC 195374146 HFZWBBKBCFMTGA-RYRKJORJSA-N 331.488 4.421 50 1 EIGF COc1ccc(Cl)cc1C#Cc1cccc2nc(CCl)cn12 587912439 HUTJZDGQHREJLI-UHFFFAOYSA-N 331.202 4.135 50 1 EIGF CC(C)C(C=O)=CC[C@@H]1C(=O)CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@]12C 2356381139 AZDNKBZTUMFXFL-VUBSUSDNSA-N 334.456 4.034 50 1 EIGF Cc1ccnc2[nH]c([C@H](C)c3ccc(CBr)cc3)nc12 586974254 UDVZEFKQKDLGKD-LLVKDONJSA-N 330.229 4.313 50 1 EIGF COc1cc2c3c(c1)O[C@@](CCCl)(c1ccccc1F)[C@@H](C2)C3=O 587428238 YEQNXAGHDNCROE-LIRRHRJNSA-N 346.785 4.106 50 1 EIGF COC(=O)C=C(C=O)CC[C@@H]1C(C)=CC(=O)[C@H]2C(C)(C)CCC[C@]12C 2356738969 QEMRWXIMBVUYBG-LKUPVBHCSA-N 346.467 4.043 50 1 EIGF N#C/C(=C(/O)c1ccc(Br)s1)c1nc2ccccc2[nH]1 100704184 MXPKLWZTHMMXQT-JYRVWZFOSA-N 346.209 4.337 50 1 EIGF CC(=O)Oc1ccc(-c2c(CCl)[nH]c3c(C(=O)O)cccc23)cc1 587638109 JFLKQEUJVZRSDH-UHFFFAOYSA-N 343.766 4.197 50 1 EIGF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CCl)CCSC(C)=O 963240221 YIZIGESSEGLWDA-KSSFIOAISA-N 339.932 4.447 50 1 EIGF CC1(C)[C@@H](OC(=O)c2ccccc2)CC[C@]2(C)C[C@@H]3CC[C@@]12OO3 101191895 ZGEZBEGUEKLVRK-XAMWDVODSA-N 330.424 4.291 50 1 EIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCCCl)N1 587686605 VYKRXNZUCDQCIE-OTYXRUKQSA-N 334.660 4.357 50 1 EIGF C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNc1ccc(F)cc1 299859668 YGCWOBJEJBLWGB-SECBINFHSA-N 343.185 4.043 50 1 EIGF COc1cc2c3c(c1)O[C@](C(Cl)Cl)(C(C)(C)C)[C@@H](C2)C3=O 587417105 JGWPBJUWUUOALB-MGPLVRAMSA-N 329.223 4.031 50 1 EIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C(C)(C)CCl)N1 587685957 SGCWZGZJPSGZMZ-OQPBUACISA-N 334.660 4.429 50 1 EIGF COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C=C4C=O)CC[C@@H]21 45354986 PFGTZJTYYBLGMJ-CQAWWZBVSA-N 330.468 4.308 50 1 EIGF N#CC1=C(N)Oc2ccc3ccccc3c2[C@@H]1n1ccc2ccccc21 40752530 ZRWFBOJUKJIRGU-OAQYLSRUSA-N 337.382 4.470 50 1 EIGF C[C@@H]1C(=O)C[C@H](c2ccccc2)N(C(=O)CCl)[C@H]1c1ccccc1 299847959 WPSDPHFTZGWJHI-WIBUTAKZSA-N 341.838 4.145 50 1 EIGF C=C[C@](C)(O)CC[C@H]1[C@](C)(CC=CC(C)(C)OO)[C@H]2CC[C@@]1(C)O2 2356437252 MMDGRRLDAOVYIQ-HHUCQEJWSA-N 338.488 4.492 50 1 EIGF CCC[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541258 AFYMZYXKMAXWKQ-YJBOKZPZSA-N 332.783 4.132 50 1 EIGF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1ccccc1CCl 963607009 ISGABXMATXDBGX-BLVKFPJESA-N 331.843 4.066 50 1 EIGF CC1=C[C@@H]2OC(=O)C(C)=C2CC[C@]2(C)O[C@H]2CC[C@](C)(OO)C=CC1 2356803455 XCPZVIVLBYIURX-XEYPJELSSA-N 348.439 4.101 50 1 EIGF C[C@@]1(CCCl)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962642550 URZQEVAGBHYOMQ-TZIWHRDSSA-N 340.898 4.278 50 1 EIGF C#CCC=C[C@H](Cl)[C@@H]1CC=CC[C@@H]([C@H](Br)CC)O1 2356794944 LNYCTDBPFKJCHC-QPSCCSFWSA-N 331.681 4.451 50 1 EIGF N#C/C(=C\c1ccccc1)C(=O)NCc1ccc(Cl)c(Cl)c1 95590997 LTCMRWOQZRJHGX-RIYZIHGNSA-N 331.202 4.217 50 1 EIGF CC/C=C(C)/C=C/CCC[C@]1(OC)CC[C@@H]([C@@H](C)C(=O)OC)OO1 14276644 MORRHHHLCADBJK-PDSKAOHXSA-N 340.460 4.332 50 1 EIGF Fc1ccc([C@H]2OO[C@H]3[C@@H]4CC[C@@H](C4)[C@@]3(c3ccccc3)OO2)cc1 169313729 LDDQLKCZGVEWLE-YANNOABASA-N 342.366 4.428 50 1 EIGF Cc1ccc(/C=C(\C#N)c2nc3cc(C(F)(F)F)ncc3[nH]2)cc1 587187316 DPVZGUFWQHSILQ-WUXMJOGZSA-N 328.297 4.349 50 1 EIGF COC(=O)c1sc(-c2ccc(Cl)cc2)nc1CBr 71329036 NVEUUABXVKIKFP-UHFFFAOYSA-N 346.633 4.145 50 1 EIGF C#C/C=C\C[C@@H]1O/C(=C(/Br)CC)C[C@@H]2O[C@@H]2C[C@@H]1Cl 147044626 IPGHQCSIHTZTOJ-LCLILETBSA-N 345.664 4.136 50 1 EIGF COC(C)(C)[C@H](Br)c1nc2ccc3nc(C)ccc3c2[nH]1 586970511 BYEVNWUYOKRBLE-CQSZACIVSA-N 348.244 4.281 50 1 EIGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CCCCCl 587541730 DHDCWBRTQHHGLQ-HOCLYGCPSA-N 332.783 4.132 50 1 EIGF CC[C@H](Cc1ccccc1C#Cc1cc(Cl)ccc1OC)N=C=O 587901491 FNKDYKRGRVLWJM-LJQANCHMSA-N 339.822 4.405 50 1 EIGF CC(C)[C@@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587688288 KQXXGVFSILUFDN-YMTOWFKASA-N 334.660 4.213 50 1 EIGF COc1ccc(Cl)cc1C#Cc1ccc(Cl)cc1CCN=C=O 587900802 SGXXESBLHPNKSK-UHFFFAOYSA-N 346.213 4.280 50 1 EIGF CC[C@@H](C)CCO[C@H]1OC(=O)[C@]23C[C@@H]4CC(C)(C)CC4=C(C=O)[C@]12C3 84690540 CERWTWXWRVGAAK-DIEZAQJRSA-N 346.467 4.034 50 1 EIGF COc1cccc(COc2ccccc2C2=NO[C@@H](CCl)C2)c1 26503930 MJYBPZUUPOSFCL-OAHLLOKOSA-N 331.799 4.006 50 1 EIGF CSc1ccc(CNC(=O)C[C@]2(C)CC3(CCCCC3)OO2)cc1 49710469 XYJYINJWXKGOJA-GOSISDBHSA-N 349.496 4.228 50 1 EIGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCC[C@H]2Cl 587545791 HOYSVPZKSIMNEE-JTDSTZFVSA-N 344.794 4.274 50 1 EIGF COc1ccc(Cl)cc1C#Cc1ccc(CC(=O)CCl)cc1 587905569 AAPRTRAZUSDODJ-UHFFFAOYSA-N 333.214 4.099 50 1 EIGF C#C/C=C/C[C@@H]1O[C@H]([C@@H](Br)CC)CC=CC[C@@H]1Cl 5923154 BWALZYVILRSXNY-FKPSDBQCSA-N 331.681 4.451 50 1 EIGF CSc1ccc([C@@]2(CCl)NCCc3ccc(F)c(C)c32)cc1 962148755 UUCIKAGOESKMCC-GOSISDBHSA-N 335.875 4.484 50 1 EIGF CO[C@@H]1C(=O)[C@]2(C)CC[C@]3(C)CCC(C(C)C)=C3[C@H]2CC=C1C=O 2356324977 MHJIISMBXWZQGF-GKBFQHABSA-N 330.468 4.269 50 1 EIGF CC1(C)CCC[C@@]2(C)[C@@H]3CC=C(C=O)C[C@@H](CCO)[C@@]3(C=O)CC[C@H]12 2356397903 KEGBEVVGLQFNOV-XZAAFUHCSA-N 346.511 4.332 50 1 EIGF O=C(c1coc2ccccc12)[C@H](Br)CCBr 587280502 HTUBGYLWWFUORX-SNVBAGLBSA-N 346.018 4.164 50 1 EIGF COc1ccc(Cl)cc1C#Cc1ccccc1NC(=O)CCCl 587902625 IWGJPTPAMUIKPM-UHFFFAOYSA-N 348.229 4.316 50 1 EIGF COc1ccc(Cl)cc1C#Cc1ccsc1C(=O)CSC#N 587918808 JTBBMHPRUXNXJW-UHFFFAOYSA-N 347.848 4.207 50 1 EIGF CC=CCCCCCCC[C@]1(OC)C[C@H](C)[C@@H](CC(=O)O)OO1 2356796750 NMUUFKMOHJKZAU-LZLYRXPVSA-N 328.449 4.467 50 1 EIGF CC(C)[Si](O[C@@]12CC[C@H](C[C@@H]1O)C[C@@H]2C(=O)O)(C(C)C)C(C)C 195453561 SRCNKDRSZASSMC-UIBIWLFHSA-N 342.552 4.183 50 1 EIGF Cn1c2c(c3ccccc31)[C@@H]1CCCCCC[C@@H]1[C@@H]1C(=O)OC(=O)[C@H]21 299816057 PLPKUGCPCLWSFX-QISBLDNZSA-N 337.419 4.029 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)sc1C)O2 587410739 OTXJUTKNJHDMFZ-QGZVFWFLSA-N 335.856 4.355 50 1 EIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C(Cl)Cl)N1 587687365 GETLGAVSGNSEHD-QTTZVWFDSA-N 341.051 4.141 50 1 EIGF CCCCOC(=O)O[C@@H]1CC[C@]2(C)C[C@H]3CC[C@@]2(OO3)C1(C)C 253696907 PGXROGJUTKCNEB-DTTOXWODSA-N 326.433 4.388 50 1 EIGF CCN(CC)c1ccc(/C=C(\C#N)c2nc3cc(OC)ccc3[nH]2)cc1 299863125 KRXQRKXRZZPZIX-FOWTUZBSSA-N 346.434 4.482 50 1 EIGF C#CC=CC[C@@H]1OO[C@H]([C@H](Br)CC)CC=CC[C@@H]1Cl 2356441108 FWWSEQPHLDAZQV-QPSCCSFWSA-N 347.680 4.382 50 1 EIGF C[C@@]1(CCCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587325890 HLSGWHRSPRMAMK-AEFFLSMTSA-N 334.774 4.278 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccccc1)([C@@H](C)Cl)O2 587370819 BXFAVDWGQMCEMA-YJYMSZOUSA-N 329.827 4.151 50 1 EIGF CC[C@@]1([C@H](C)Br)CC(=O)c2ccc3c(c2O1)CCCC3 587499589 NRVBWTIABZGTGL-GTNSWQLSSA-N 337.257 4.463 50 1 EIGF C#CCC=C[C@H](Cl)[C@@H]1CC=CC[C@@H]([C@@H](Br)CC)O1 2356794942 LNYCTDBPFKJCHC-AJNGGQMLSA-N 331.681 4.451 50 1 EIGF COc1cc2nc([C@H](Br)C(C)(C)OC)[nH]c2cc1Cl 586970604 HKEUAYRILAPPRT-NSHDSACASA-N 347.640 4.086 50 1 EIGF O=c1c2ccccc2cc2n1Cc1c-2nc2ccccc2c1CCl 40395345 OHQNJUHMUKUMPP-UHFFFAOYSA-N 332.790 4.317 50 1 EIGF C#C/C=C\C[C@@H](Cl)[C@H]1CC=CC[C@H]([C@H](Br)CC)O1 85838986 ZAQAXRPCNVAIRN-CMEZAIPESA-N 331.681 4.451 50 1 EIGF C/C(=C\COc1cc(O)cc2oc(=O)ccc12)C/C=C/C(C)(C)OO 238783814 ZJGDUKAUVBWMKG-DZKPWUJRSA-N 346.379 4.038 50 1 EIGF CC(C)(C=CC[C@]1(C)C=Cc2c(ccc3ccc(=O)oc23)O1)OO 2356414408 JYTYDMHUCUHCFK-LJQANCHMSA-N 328.364 4.172 50 1 EIGF C=C1CC[C@@]2(C)C(C)(C)CCC[C@]2(C)[C@H]1[C@@H]1C=C(C=O)C[C@H](O)OO1 95486150 QHXJLDRTDTZAFU-VXXGZENSSA-N 348.483 4.340 50 1 EIGF biogenic,in-vitro Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1CCCCl 587621876 NBWKQCWZHUHABN-UHFFFAOYSA-N 326.625 4.287 50 1 EIGF Fc1ccc([C@@H]2OO[C@@H]3CCC[C@](c4ccccc4)(OO2)O3)cc1 58590395 VCPFDPUPFBVBAB-KZNAEPCWSA-N 332.327 4.114 50 1 EIGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)[nH]c1C)CC2=O 587461802 TWPSFGYTSGMTKA-IBGZPJMESA-N 347.842 4.389 50 1 EIGF CC(C)CC(CC(C)C)=NO[P@](N)(=O)NCCC(Cl)Cl 29470620 VDFFMZLOWJQRIR-FQEVSTJZSA-N 346.239 4.301 50 1 EIGF Cc1ccc(/C=C(\C#N)c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1 587187532 IGDFZSCBCWQWEI-WUXMJOGZSA-N 339.301 4.257 50 1 EIGF CC[C@@]1(CCCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587683964 IPSJUVPCFJUYRZ-OTYXRUKQSA-N 334.660 4.357 50 1 EIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@H]2Cl)N1 587704959 LOSRKROZYALTQN-WZYXQFPFSA-N 332.644 4.109 50 1 EIGF C#C/C=C\C[C@H]1O[C@@H](CC)[C@@H](Br)C/C=C\C[C@H]1Cl 136409543 XNLVYZURWKMAIT-PDXGQBOUSA-N 331.681 4.451 50 1 EIGF C=C1[C@H]2c3ccccc3[C@H](C[C@@]2(C)O[Si](C)(C)C)N1C(=O)OC 195374140 HFZWBBKBCFMTGA-XYJFISCASA-N 331.488 4.421 50 1 EIGF CC(C)(C)[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541726 DGJRWGOSNFLMHR-HNAYVOBHSA-N 346.810 4.378 50 1 EIGF C[C@]1(c2cccc(N=C=O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587501145 BHIALRRCYNGQHG-OAQYLSRUSA-N 333.387 4.413 50 1 EIGF COc1ccc(Cl)cc1C#Cc1cc(C(=O)CCl)ccc1OC 587900241 LITBWVHQPWQODW-UHFFFAOYSA-N 349.213 4.179 50 1 EIGF CC1=C[C@@H]2OC(=O)C(C)=C2CC[C@](C)(OO)C=CC[C@]2(C)O[C@@H]2CC1 2356437360 PTKZNZZJRAMCOQ-CUDHKJQZSA-N 348.439 4.101 50 1 EIGF CC(C)(C)[C@H](CCl)C(=O)NN=C(c1ccccc1)c1ccccc1 36387636 OCMXGJXYFXNKCT-QGZVFWFLSA-N 342.870 4.456 50 3 EIGF O=C(NN(C(=O)Oc1ccccc1)c1ccccc1)Oc1ccccc1 95558161 SYHMKMOQUZYWKE-UHFFFAOYSA-N 348.358 4.396 50 1 EIGF CCCCOC(=O)O[C@H]1CC[C@@]2(C)C[C@@H]3CC[C@@]2(OO3)C1(C)C 169367700 PGXROGJUTKCNEB-DFEHZGFQSA-N 326.433 4.388 50 1 EIGF COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)([C@H](C)Cl)[C@@H](C2)C3=O 587416639 BUNPDCHZFKKITD-APXLUKDGSA-N 342.822 4.274 50 1 EIGF CC(C)[C@H](Br)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587498382 GUBKLIGRKGMWBB-HOTGVXAUSA-N 337.257 4.319 50 1 EIGF COc1ccc(Cl)cc1C#Cc1ccc(C(=O)CSC#N)cc1 587919804 XJAUFJXJUFRRJJ-UHFFFAOYSA-N 341.819 4.145 50 1 EIGF O=C(Nc1nnc(Cc2ccccc2)s1)c1cccc(CCl)c1 1557397646 IMOYKYOSNWMGIR-UHFFFAOYSA-N 343.839 4.120 50 1 EIGF C[C@](Cl)(C=CBr)[C@@H](Cl)C=CC(C=O)=CCl 2356539928 GKZINEHWKIQNIO-UWVGGRQHSA-N 332.452 4.378 50 1 EIGF CC1(C)[C@H]2CC3=C4CCSSCC[C@@H]([C@H](CO)C2)[C@]31CC4=O 2356753387 SSAQJHDWYMIVMY-WKZPIUISSA-N 338.538 4.092 50 1 EIGF Fc1ccc([C@@]23CCC[C@@H](OO[C@H](c4ccccc4)OO2)O3)cc1 38158870 XROMFUCNXGYBEI-FGTMMUONSA-N 332.327 4.114 50 1 EIGF C/C(=N\NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 72174794 SCCAAMFXRKJPJX-DEDYPNTBSA-N 349.346 4.009 50 1 EIGF Cc1ccc([C@]2([C@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587373559 RIQNCPJOQDQBFY-ORAYPTAESA-N 329.827 4.374 50 1 EIGF CCOc1cc(/C(=C\C#N)c2ccc(OC)c(OC)c2)ccc1OC 33968978 BVTDODKZHFYENY-YBEGLDIGSA-N 339.391 4.066 50 1 EIGF O=C1c2ccc(O)cc2O[C@](CCl)(C2CC2)[C@@H]1c1ccc(F)cc1 587325437 FOHDCUDFGJMYED-IEBWSBKVSA-N 346.785 4.278 50 1 EIGF COc1cc2c3c(c1)O[C@](CCCl)(c1ccc(C)cc1)[C@@H](C2)C3=O 587424113 XJOSFMYPWUGXGR-OXJNMPFZSA-N 342.822 4.275 50 1 EIGF COc1cc2c3c(c1)O[C@](C)(c1cc(CCl)cs1)[C@@H](C2)C3=O 587452711 OOAZRUFUCGOSCX-SJCJKPOMSA-N 334.824 4.158 50 1 EIGF C=C1C(C)=C(C#N)C(=O)N1c1cc(C(F)(F)F)ccc1C(F)(F)F 64437827 XSWZDPPIMXPCPI-UHFFFAOYSA-N 346.230 4.425 50 1 EIGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1oc(C)nc1C)CC2=O 587461244 RKMRGEFAJXRIDM-SFHVURJKSA-N 349.814 4.049 50 1 EIGF COC(C)(C)[C@H](Br)c1nc2ccc(OC(C)C)cc2[nH]1 586970625 CYTBRVFZDHDIAM-CYBMUJFWSA-N 341.249 4.211 50 1 EIGF CCC[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541255 AFYMZYXKMAXWKQ-CRAIPNDOSA-N 332.783 4.132 50 1 EIGF C[C@H](c1ccc(CBr)cc1)c1nc2ccc(C#N)cc2[nH]1 586973712 NBEJLXIZRQYXBH-LLVKDONJSA-N 340.224 4.481 50 1 EIGF CC(C)(F)[C@H](Br)c1nc2cc(C(F)(F)F)ncc2[nH]1 587086572 DLBBKDUKEHKSDK-MRVPVSSYSA-N 340.118 4.161 50 1 EIGF COc1cc2c3c(c1)O[C@](CCCl)(c1cccs1)[C@@H](C2)C3=O 587448720 BPRLHZVRYVRSIZ-SJCJKPOMSA-N 334.824 4.029 50 1 EIGF CC(=O)c1ccccc1NP(=O)(c1ccccc1)c1ccccc1 1662893 LLKPWELELQATEW-UHFFFAOYSA-N 335.343 4.230 50 1 EIGF Oc1ccc(-c2noc(CCCC[C@H]3CCSS3)n2)cc1O 28823686 GGKFIAVHIDDEHQ-NSHDSACASA-N 338.454 4.014 50 1 EIGF CO[C@]1(C)CC[C@]2(C[C@H]1Br)C(C)=CC(=O)CC2(C)C 2356793064 GZUQINXJGNTWHU-BMFZPTHFSA-N 329.278 4.271 50 1 EIGF Nc1ncnc2c1c(-c1ccccc1)nn2C[C@@H](Cl)c1ccccc1 473134806 CYWDPEUCBCKEAM-OAHLLOKOSA-N 349.825 4.056 50 1 EIGF Cc1ccc(/C=C(/C#N)c2nc3cc(Br)ncc3[nH]2)cc1 587188822 XFPUYOAJTHLQFM-SDQBBNPISA-N 339.196 4.093 50 1 EIGF CCCCCCCCCSC(=S)NNC(=O)c1cccnc1 169336947 XBCNVNDKUHDKFT-UHFFFAOYSA-N 339.530 4.085 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(CCCl)cc1)O2 587377269 VQCFUWIDECYHRA-IBGZPJMESA-N 329.827 4.239 50 1 EIGF Cc1cc(C)c2c3c(sc2n1)[C@@H](c1ccccc1)C(C#N)=C(N)O3 377184 GZUOTRVJWDNTPO-HNNXBMFYSA-N 333.416 4.131 50 3 EIGF O=c1cc(-c2ccccc2)oc2cc(OCCBr)ccc12 66112626 KWTXFVCNRBFWFN-UHFFFAOYSA-N 345.192 4.234 50 1 EIGF CC(C)(F)[C@@H](Br)c1nc2cc(C(F)(F)F)cnc2[nH]1 587087030 LCZPANVAAQMRHB-ZETCQYMHSA-N 340.118 4.161 50 1 EIGF CC1=CCC[C@]2(C)O[C@@H]2CCC(C)=C[C@@]2(OO)OC(=O)C(C)=C2CC1 2356451375 DVNVQQSZABWHRN-HOJAQTOUSA-N 348.439 4.450 50 1 EIGF O=c1ccc2ccc(OCCCCCCBr)cc2o1 137916490 XXDDEACWRJYAKV-UHFFFAOYSA-N 325.202 4.127 50 1 EIGF COC1=C(C)C(=O)[C@]2(C)[C@H](C(C)=CCC(C)C)[C@H]3C=C(C)[C@@]2(OO3)O1 2356785447 AFFGFHRAOSKRJK-YKCBXCCJSA-N 348.439 4.065 50 1 EIGF Cc1ccc(/C=C(\C#N)c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1 587186984 ACOFQTNNFJOKGG-OQLLNIDSSA-N 343.365 4.260 50 1 EIGF COc1cc([C@@H]2C(C#N)=C(C)N=C3CCCC(O)=C32)cc(Cl)c1O 104072770 LCPBGGKPATUMPU-MRXNPFEDSA-N 344.798 4.386 50 1 EIGF CC1=C2CC/C(C)=C/CC[C@]3(C)O[C@H]3CC/C(C)=C/[C@]2(OO)OC1=O 166773738 DVNVQQSZABWHRN-HJSFIQMLSA-N 348.439 4.450 50 1 EIGF COc1cc2nc([C@H](C)c3ccc(CBr)cc3)[nH]c2cn1 586974551 XUTOABYTZNIJOQ-SNVBAGLBSA-N 346.228 4.013 50 1 EIGF Oc1nc(O)c2cc3c(nc2n1)[C@@H](Cl)CCCCCCCCC3 587369249 WXMUSOKEARIENX-ZDUSSCGKSA-N 335.835 4.393 50 1 EIGF CC[C@@]1(CBr)NCCc2cc(-c3ccccc3)ccc21 962667355 NXURTKURNOBCBV-SFHVURJKSA-N 330.269 4.500 50 1 EIGF BrC[C@H]1Nc2ccc3cc4ccccc4nc3c2CO1 40764237 NRXDQXOTKRLQJI-HNNXBMFYSA-N 329.197 4.051 50 1 EIGF CC(C)(F)[C@H](Br)c1nc2cc(Cl)c(Cl)nc2[nH]1 587086521 CDEGMHYDMBWQPS-ZCFIWIBFSA-N 341.011 4.449 50 1 EIGF COc1ccc(-c2[nH]c3c(C(=O)O)cccc3c2CCCl)cc1 587637591 DBNAUGAQJRJZDI-UHFFFAOYSA-N 329.783 4.323 50 1 EIGF O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H]2Cl)[C@H]1c1ccc(F)cc1 587327085 DSQFCPFHNQMTSW-LNLFQRSKSA-N 346.785 4.420 50 1 EIGF Cc1c(Br)ccc2nc(/C=C/CBr)[nH]c12 586972459 RWUVKLZQWKJTSU-NSCUHMNNSA-N 330.023 4.042 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cccc3cc[nH]c13)O2 587372342 KNDIECVWLOCCIJ-LJQANCHMSA-N 340.810 4.158 50 1 EIGF CCC=C(C)C=CCCC[C@]1(OC)CC[C@H]([C@H](C)C(=O)OC)OO1 2356464519 MORRHHHLCADBJK-YQVWRLOYSA-N 340.460 4.332 50 1 EIGF O=C(Nc1nc(CN=C=S)cs1)c1ccc(Cl)c(Cl)c1 27302393 FRSSJALGJHUKDK-UHFFFAOYSA-N 344.248 4.305 50 1 EIGF O=C1C[C@@](CCl)(c2ccccn2)Oc2c1ccc1c2CCCC1 587498104 LYOBXGVAQNMLJX-LJQANCHMSA-N 327.811 4.060 50 1 EIGF C=C(C)C(=O)C(Cl)(Cl)C=C(C)[C@H](Br)CCl 2356499411 DDNRDJDOVHKRFA-MRVPVSSYSA-N 334.468 4.254 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCCl)(c1ccc(O)cc1)O2 587375740 ONIMGXLSEJSOHA-IBGZPJMESA-N 345.826 4.163 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCCl)(c1ccc(F)cc1)O2 587384534 LUKVWXAGWAPTBF-GOSISDBHSA-N 333.790 4.206 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)sc1C)O2 587410738 OTXJUTKNJHDMFZ-KRWDZBQOSA-N 335.856 4.355 50 1 EIGF CC1=C[C@H](OO)CC(C)=C[C@@H]2OC(=O)C(C)=C2CC[C@]2(C)O[C@@H]2CC1 2356802036 QZJBESRVGILFBE-BOLBYERCSA-N 348.439 4.101 50 1 EIGF FC(F)(F)c1ccc(-c2noc(CCCBr)n2)cc1 1247906564 DGLUXCRXGXTWME-UHFFFAOYSA-N 335.123 4.083 50 1 EIGF C#CC=CC[C@H](Cl)[C@@H]1CC=CC[C@H](Br)[C@@H](CC)O1 2356529923 WMDYCUMSABQCMS-XQLPTFJDSA-N 331.681 4.451 50 1 EIGF CC[C@@]1(CCCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587546778 XPTDHCUPGOBDDE-YJBOKZPZSA-N 332.783 4.132 50 1 EIGF COc1ccc(Cl)cc1C#Cc1cccc(CBr)n1 587898782 QESLHGQOJGATEJ-UHFFFAOYSA-N 336.616 4.038 50 1 EIGF C=CC=CC[C@@H]1O[C@](Br)(CBr)CC[C@H]1C 2356431884 IFOLTEJQEKCSHN-WOPDTQHZSA-N 338.083 4.420 50 1 EIGF COc1ccc(COc2ccccc2C2=NO[C@H](CCl)C2)cc1 13536256 VKCBXAWKAWNCPW-HNNXBMFYSA-N 331.799 4.006 50 1 EIGF O=C(O)c1cccc2c(-c3ccccc3)c(CBr)[nH]c12 587637009 SQFMVJRIHMZIDQ-UHFFFAOYSA-N 330.181 4.428 50 1 EIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C(Cl)Cl)N1 587687745 HPXPZEZSGDBKHJ-PWCHPLFNSA-N 341.051 4.141 50 1 EIGF CC/C=C(C)/C=C/CCC[C@]1(OC)CC[C@H]([C@@H](C)C(=O)O)OO1 238753537 JTPFZCWDSAHJHT-HSEXDKIUSA-N 326.433 4.243 50 1 EIGF O=C1CS[C@@H](c2c(Cl)cccc2Cl)N1[C@@H]1CC[C@@H]1Cl 40936202 HSJQDFQRYSOTJP-NYNLCMDTSA-N 336.671 4.337 50 1 EIGF C=C1CC[C@H](OO)C(=C)CCC2=C(C(C)C)C(=O)C[C@]2(C)CC1=O 49889458 LYXNFJWTTHPWSB-ICSRJNTNSA-N 332.440 4.422 50 1 EIGF biogenic CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(O)cc1)CC2=O 587458652 DSPWAEISDYFMOR-LJQANCHMSA-N 346.810 4.150 50 1 EIGF CC[C@]1([C@H](C)Br)CC(=O)c2ccc3c(c2O1)CCCC3 587499497 NRVBWTIABZGTGL-APPDUMDISA-N 337.257 4.463 50 1 EIGF COC(=O)C=C(C=O)CC[C@@H]1C(C)=CC(=O)[C@@H]2C(C)(C)CCC[C@]12C 2356738970 QEMRWXIMBVUYBG-OZOXKJRCSA-N 346.467 4.043 50 1 EIGF CCC[C@H]1[C@@H](OCC)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 43328150 YGWHMWBPLASGSB-HARLHBKBSA-N 340.460 4.011 50 1 EIGF BrC/C=C\c1nc2cc3nc4ccccc4nc3cc2[nH]1 586974113 QTNNDKKSJLKLKI-UTCJRWHESA-N 339.196 4.067 50 1 EIGF O=C1c2ccc(O)cc2O[C@]2(CCC[C@H]2Cl)[C@@H]1c1ccc(F)cc1 587327083 DSQFCPFHNQMTSW-LMMKCTJWSA-N 346.785 4.420 50 1 EIGF CSc1ccc([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587410206 LZXRNDCXECRHTB-GOSISDBHSA-N 347.867 4.399 50 1 EIGF CC=C[C@@H]1CC=CC[C@H](Cl)[C@H](C[C@H](O)C=C=CBr)O1 2356419479 UAKMIDIJYGIRKO-ZWLZAMDHSA-N 347.680 4.088 50 1 EIGF CCC=C(C)C=CCCC[C@]1(OC)CC[C@H]([C@@H](C)C(=O)OC)OO1 2356464520 MORRHHHLCADBJK-ZHALLVOQSA-N 340.460 4.332 50 1 EIGF N#CC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccc(O)cc1 13650265 YPYDCWXJQIQBBV-UHFFFAOYSA-N 329.355 4.286 50 1 EIGF Fc1ccc([C@H]2OO[C@@H]3[C@@H]4CC[C@@H](C4)[C@@]3(c3ccccc3)OO2)cc1 169313727 LDDQLKCZGVEWLE-IMWRDGPWSA-N 342.366 4.428 50 1 EIGF C=C[C@@H](COC(C)=O)C[C@@H]1C(=C)CC[C@@H](Br)C1(C)C 238780862 AGXPZYPVDGCMPE-RBSFLKMASA-N 329.278 4.498 50 1 EIGF CC(C)(C)[Si](C)(C)OCCC1=CC[C@H](CO)[C@@]12C=CC(=O)CC2 653799465 ZREHJSHWWIKHRN-VQIMIIECSA-N 336.548 4.242 50 1 EIGF C[C@](O)(CCl)P(=O)(Oc1ccccc1)Oc1ccccc1 103235380 FFHWNACRVDRZGX-OAHLLOKOSA-N 326.716 4.285 50 1 EIGF CC(=O)O[C@@H]1/C(C=O)=C/C/C=C(\C)C[C@@H](O)[C@H]1[C@H](C)CCC=C(C)C 238781062 PFLUUKDRZGYDSO-YSBZSBLOSA-N 348.483 4.143 50 1 EIGF C=C(C)C(=O)C(Cl)(Cl)/C=C(/C)[C@H](Br)CCl 166397459 DDNRDJDOVHKRFA-RBMBQVQZSA-N 334.468 4.254 50 1 EIGF Cc1ccc(/C=C(/C#N)c2nc3c(Br)cncc3[nH]2)cc1 587187009 AMKSDRKETITSNX-SDQBBNPISA-N 339.196 4.093 50 1 EIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H]2Cl)N1 587704957 LOSRKROZYALTQN-ULOPGQLASA-N 332.644 4.109 50 1 EIGF CC(C)(C)N(NC(=O)c1ccc(F)cc1)C(=O)c1ccccc1Cl 103179532 LJOYGVJNQBYUDA-UHFFFAOYSA-N 348.805 4.065 50 1 EIGF C#CC=CC[C@H](Cl)[C@@H]1CC=CC[C@H]([C@@H](Br)CC)O1 2356477276 ZAQAXRPCNVAIRN-XQLPTFJDSA-N 331.681 4.451 50 1 EIGF CC1(C)CCC[C@]2(C)[C@H]1CC=C(C=O)[C@@]21CC[C@](C)(CC(=O)O)O1 2356737731 ATEDUZJBBLDWGB-OBZTUIKSSA-N 334.456 4.131 50 1 EIGF Cc1cc(C)c([C@@]2(CCl)NCCc3ccc(O)cc32)c(C)c1C 963329674 QPSDXJKVCQDOFJ-FQEVSTJZSA-N 329.871 4.254 50 1 EIGF CCC[C@H]1[C@@H](OCC)O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]24OO3 169340481 YGWHMWBPLASGSB-JHFVDCSKSA-N 340.460 4.011 50 1 EIGF O=C(CCl)Nc1ccc(C(=O)/C=C/C=C/c2ccccc2)cc1 299857058 DRMNQFRFVRJULA-KBXRYBNXSA-N 325.795 4.316 50 1 EIGF COc1ccc(Cl)cc1C#Cc1cc(F)c(C(=O)Cl)c(F)c1 587914456 BAGMJSMRGPIDAK-UHFFFAOYSA-N 341.140 4.406 50 1 EIGF O=C(N/N=C\c1ccccc1F)c1cc2c(ccc3ccccc32)o1 15997838 VFHJRRJULULMQH-UUYOSTAYSA-N 332.334 4.489 50 1 EIGF CC(C)[Si](O[C@]12CC[C@@H](C[C@@H]1O)C[C@@H]2CO)(C(C)C)C(C)C 195508220 YONZTXUKJXVFES-BDXSIMOUSA-N 328.569 4.091 50 1 EIGF N#C/C(=C\c1ccccc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587186925 AJJSSUOMRAZKAW-RMKNXTFCSA-N 349.703 4.041 50 1 EIGF O=C(CCCCBr)c1coc2cc([N+](=O)[O-])ccc12 587279964 XAQOTZFOIUMNGF-UHFFFAOYSA-N 326.146 4.089 50 1 EIGF O=C(O)c1cccc2c(CCl)c(-c3ccc4c(c3)OCCO4)[nH]c12 587638790 QCVVHWLJZUGEDZ-UHFFFAOYSA-N 343.766 4.043 50 1 EIGF N#CC1=COc2ccccc2[C@@]12NCCc1c(Cl)cc(Cl)cc12 963112922 SXEOKZQQUCXIOT-SFHVURJKSA-N 343.213 4.183 50 1 EIGF N#CC1=C(SCc2ccccc2)NC(=N)[C@H](C#N)C12CCCCC2 37865604 ADGISHHEEKFDLM-HNNXBMFYSA-N 336.464 4.326 50 1 EIGF C#CC=CC[C@@H]1O[C@H](CC)[C@H](Br)CC=CC[C@H]1Cl 2356617937 XNLVYZURWKMAIT-TUVASFSCSA-N 331.681 4.451 50 1 EIGF CCCCNc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OC)c1 38153947 RUZDFKXYCKEOKM-FQEVSTJZSA-N 349.434 4.125 50 1 EIGF CC(=N)/C(C#N)=C(/O)CSc1nnc(Nc2ccccc2C)s1 101830626 LKDJGMFEIZNYLS-ARCDLMDQSA-N 345.453 4.058 50 1 EIGF Nc1cccc(C(=O)N/N=C(/c2ccccc2)c2ccc(Cl)cc2)c1 103194031 YSMPRIUTHHGDDM-NMWGTECJSA-N 349.821 4.105 50 1 EIGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@H](CC(C)(F)F)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]32OO4 195252992 MPJSRZRJOSUUDI-BUQULEJPSA-N 346.414 4.282 50 1 EIGF CCn1c(C)cc([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)c1C 587373589 RNDJMJDLZFRJFH-IBGZPJMESA-N 346.858 4.115 50 1 EIGF C[C@@H](CCl)NCc1ccc2oc3cc(Cl)ccc3c(=O)c2c1 40895654 QXBCULTWINFFLD-JTQLQIEISA-N 336.218 4.317 50 1 EIGF COc1ccc(/C=N/NC(=O)Nc2cccc3ccccc23)cc1OC 53313587 GKACDERUBGOPOF-FYJGNVAPSA-N 349.390 4.013 50 1 EIGF C#C/C=C/C/C=C\C[C@@H]1O[C@H]([C@@H](Br)CC)C[C@@H]1Cl 210661927 CUPRGZVKNKNTTN-MLGGZGONSA-N 331.681 4.451 50 1 EIGF Cc1cc2nc(/C=C/CBr)[nH]c2cc1Br 586972377 OMRIPUGZGWEJNG-NSCUHMNNSA-N 330.023 4.042 50 1 EIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@H]2Cl)N1 587707271 VCHFUVSZIFJOFY-ZWZTZDBGSA-N 346.671 4.499 50 1 EIGF CC1=C[C@@H]2OC(=O)C(C)=C2CC[C@](C)(OO)C=CC[C@@]2(C)O[C@@H]2CC1 2356437361 PTKZNZZJRAMCOQ-ONCXSQPRSA-N 348.439 4.101 50 1 EIGF C=C(C)[C@H](CC[C@@]1(C)CC[C@]2(C)O[C@H]2CC[C@](C)(O)[C@H]2C[C@@H]21)OO 44431120 PNSFHPGODPYTML-RBZZARIASA-N 338.488 4.326 50 1 EIGF CC(C)[C@@]12C=C3CC[C@H]4[C@](C)(CCC[C@@]4(C)C(=O)O)[C@]3(CC1)OO2 238741266 OOHFJWCHEFCJDC-LFZDHENXSA-N 334.456 4.493 50 1 EIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(C2CCC2)N1 587682266 CASZLTBMCZJKQZ-RFAUZJTJSA-N 346.671 4.357 50 1 EIGF CC1(C)[C@@H](OC(=O)c2ccccc2)CC[C@@]2(C)C[C@@H]3CC[C@@]12OO3 101191892 ZGEZBEGUEKLVRK-CPLUKWAASA-N 330.424 4.291 50 1 EIGF CC1(C)[C@@H](Br)[C@@H](O)CC2=C[C@@]3(C)CC[C@]21C[C@@H]3Cl 140357560 GERMJTUOMAFORB-JVSQWTDWSA-N 333.697 4.265 50 1 EIGF C[C@@]1(CCCl)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962642546 URZQEVAGBHYOMQ-PZJWPPBQSA-N 340.898 4.278 50 1 EIGF C[C@H](Cl)[C@@]1(c2ccc(Cl)cc2)NCCc2nc3ccccn3c21 962981069 DIXRKOIAXKPXJX-SGTLLEGYSA-N 346.261 4.004 50 1 EIGF C=C1CC[C@@H]2O[C@]2(C)CCC2=C(C)C(=O)O[C@H]2C=C(C)CC[C@H]1OO 2356799023 TWYIJBKQWSDBOO-DOADOZAASA-N 348.439 4.101 50 1 EIGF COc1cc2c3c(c1)O[C@@](C)([C@@H](Cl)c1ccccc1)[C@@H](C2)C3=O 587418732 VAXKQWVRGLZIPL-ZOCIIQOWSA-N 328.795 4.181 50 1 EIGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)C1CCC1 587543372 KJRQUEOAYWOIJM-APWZRJJASA-N 344.794 4.132 50 1 EIGF C[N+](CCCl)(CCCl)Cc1cccc2c([N+](=O)[O-])cccc12 1635359 OPFWHJWTMYNXIX-UHFFFAOYSA-N 342.246 4.172 50 1 EIGF CCc1ccc([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587371895 HRCIHHCOCJACJG-LJQANCHMSA-N 329.827 4.239 50 1 EIGF CC1(C)[C@@H](Br)C(=O)CC2=C[C@]3(C)CC[C@]21C[C@H]3Cl 2356306579 OJKFQCDETMADCU-DHMWGJHJSA-N 331.681 4.473 50 1 EIGF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@@H](C)[C@@]23CCC(=CC=O)O3)C1(C)C 2356552691 YUIOUOHLEHUTMC-BUQAOYBGSA-N 348.483 4.423 50 1 EIGF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1[C@H]1C[C@@H](C=O)C[C@H](O)OO1 238767385 VUWOGLPICKGRDI-QEYSWXTQSA-N 336.472 4.029 50 1 EIGF CC(C)(C)[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541722 DGJRWGOSNFLMHR-BEFAXECRSA-N 346.810 4.378 50 1 EIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H]2Cl)N1 587703124 FVIDULVVPBOGQO-FDLBOYPASA-N 332.644 4.109 50 1 EIGF COc1ccc(Cl)cc1C#Cc1cc(N)c(C)cc1SC#N 587919405 NRUWKEVTFBRMPZ-UHFFFAOYSA-N 328.824 4.212 50 1 EIGF CCCCCCCC/C=C/N(NC(=O)COC)C(=O)OC(C)(C)C 96940453 PVECIIGMPHSGNZ-BUHFOSPRSA-N 342.480 4.165 50 1 EIGF COc1cc(/C=C/CO)ccc1OC/C=C(\C)C/C=C/C(C)(C)OO 238739019 ZRKYZPSEADYXLE-HYPDOXGUSA-N 348.439 4.240 50 1 EIGF CCOC(=O)Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587777500 NTJYCUDVUJDBKY-UHFFFAOYSA-N 330.278 4.326 50 1 EIGF CCOc1ccc([C@@H]2C(C#N)=C(C)NC3=C2C(=O)c2ccccc23)cc1 104116577 QRFCRFMUQQGXMI-LJQANCHMSA-N 342.398 4.177 50 3 EIGF CC(C)C[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541712 DEUHEYYCFDZTQF-VQIMIIECSA-N 346.810 4.378 50 1 EIGF CC1=C[C@@H]2OO[C@H]1C[C@]1(C)CC[C@@]3(C(=O)O)[C@@H](CC[C@@H]3C(C)C)[C@H]21 141375435 DZRRDUPSIKHAKM-VUJKKSPKSA-N 334.456 4.205 50 1 EIGF CC(C)(F)[C@@H](Br)c1nc2cc(Cl)nc(Cl)c2[nH]1 587086965 KGLFTQZFHVCJGZ-ZETCQYMHSA-N 341.011 4.449 50 1 EIGF CCC=C(C)C=CCCC[C@]1(OC)CC[C@H]([C@@H](C)C(=O)O)OO1 2356611769 JTPFZCWDSAHJHT-JFIYKMOQSA-N 326.433 4.243 50 1 EIGF O=c1c(-c2cccc(N=C=S)c2)c(O)[nH]c2cc(Cl)ccc12 13801569 SJTVSBDJJVUPBH-UHFFFAOYSA-N 328.780 4.288 50 1 EIGF COc1cc2ccc(=O)oc2cc1OC/C=C(\C)CC/C=C(\C)C=O 15253780 SSKYVKAMMVPTNN-JFOHIDKFSA-N 342.391 4.052 50 1 EIGF CC(C)(Cl)[C@@H](Cl)CC[C@](C)(Cl)C(=O)CBr 1644129 DVCXUKCFXDSRRN-XVKPBYJWSA-N 338.500 4.353 50 1 EIGF CC1(C)CCC[C@@]2(C)[C@H]1C(=O)C(O)=C(C=O)[C@@H]2/C=C/c1ccoc1 49722836 KUZVESKWERRMKK-PIOJPPRKSA-N 328.408 4.335 50 1 EIGF CC(C)(C)c1ccc(O)c(/C=N/NC(=O)c2ccc(Cl)cc2)c1 28565553 OREZHMBJJWYLAO-RGVLZGJSSA-N 330.815 4.107 50 1 EIGF C=C(C)[C@@H](CC/C(C)=C/COc1ccc2ccc(=O)oc2c1)OO 85744275 GFNDGCJFPVJMQB-IDKBZEPQSA-N 330.380 4.333 50 1 EIGF C/C=C/[C@H]1C/C=C/C[C@@H](Cl)[C@@H](C[C@@H](O)C=C=CBr)O1 169349778 UAKMIDIJYGIRKO-POHLBVNLSA-N 347.680 4.088 50 1 EIGF CO[C@@]1(C)CC[C@]2(C[C@H]1Br)C(C)=C[C@H](O)CC2(C)C 1772631400 VEEAAQDGADVGOM-XRGAULLZSA-N 331.294 4.062 50 1 EIGF N#C/C(=C\c1c[nH]c2ccccc12)C(=O)c1c[nH]c2ccc(C#N)cc12 169312590 ODWGTVHJOKNFSN-RIYZIHGNSA-N 336.354 4.311 50 1 EIGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(C)(F)F)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]23OO4 195252978 MPJSRZRJOSUUDI-WVQQNKLJSA-N 346.414 4.282 50 1 EIGF O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1 1857639218 DWUWJMYDOKLIIO-AWQFTUOYSA-N 326.705 4.123 50 1 EIGF CC(C)(F)[C@@H](Br)c1nc2c(Cl)c(Cl)cnc2[nH]1 587086873 HZCXXUAKXOGOMT-ZETCQYMHSA-N 341.011 4.449 50 1 EIGF Cc1ccc(/C=C(/C#N)c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 587188684 VKTPUXLCIZWWDG-POHAHGRESA-N 331.272 4.492 50 1 EIGF CC[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587324827 AHPNONMVCNESIO-WMZOPIPTSA-N 334.774 4.278 50 1 EIGF Cc1cc(C)c([C@]2(CCl)NCCc3ccc(O)cc32)c(C)c1C 963329675 QPSDXJKVCQDOFJ-HXUWFJFHSA-N 329.871 4.254 50 1 EIGF O=C(N/N=C/c1cccc(Cl)c1)c1ccc(C(F)(F)F)cc1 1857645342 OBFBBFLADVONHF-AWQFTUOYSA-N 326.705 4.123 50 1 EIGF C[C@]12CC(=O)[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC/C2=C\C#N 1772630468 VFWOXQNFPHOBLO-XYPJMQTPSA-N 327.468 4.019 50 1 EIGF CCCCCCCCOC(=O)N/N=C/C=C/c1ccc([N+](=O)[O-])o1 49723040 YELFDFPWEUUYNS-ZPMYDZSXSA-N 337.376 4.274 50 1 EIGF C/C(=C/C(=O)O)CC/C=C(/C)CC/C=C(/C=O)CC/C=C(\C)C(=O)O 238766323 BBKMFBJRIBNGER-BKJRRTBHSA-N 348.439 4.460 50 1 EIGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)[nH]c1C)CC2=O 587461804 TWPSFGYTSGMTKA-LJQANCHMSA-N 347.842 4.389 50 1 EIGF CC(=C[C@@H]1CC(C)=CC(=O)O1)CCC=C(C)C1=CC(=O)C(C)(C)OO1 2356399168 OVUBAOWFQKWCAC-MRXNPFEDSA-N 346.423 4.114 50 1 EIGF Cc1cc2nc(/C=C\CBr)[nH]c2cc1Br 586972376 OMRIPUGZGWEJNG-IHWYPQMZSA-N 330.023 4.042 50 1 EIGF CCCCCCc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)cc1 1857747405 CNCXBTHLHZTMBY-CPNJWEJPSA-N 343.383 4.075 50 1 EIGF CC1=C(C#N)[C@@H](c2sc3ccccc3c2C)[C@H]2C(=O)CCC[C@H]2N1 73198344 OKWUXTVXQSAJEW-ATZDWAIDSA-N 336.460 4.432 50 1 EIGF CN[C@]1(C)CC[C@@H]2[C@H](C)C[C@@H]3C[C@H](C)[C@](C)(N=C=O)[C@@H]4CC[C@@H]1[C@H]2[C@H]34 2356857703 SLSPGCWJBGBWCZ-RDHALWJYSA-N 344.543 4.423 50 1 EIGF Fc1ccc([C@@H]2OO[C@H]3[C@H]4CC[C@@H](C4)[C@@]3(c3ccccc3)OO2)cc1 253633670 LDDQLKCZGVEWLE-WRYWSJOASA-N 342.366 4.428 50 1 EIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCCCl)N1 587686608 VYKRXNZUCDQCIE-YMTOWFKASA-N 334.660 4.357 50 1 EIGF Cc1cccc([C@]2(CBr)NCCc3ccc(F)c(C)c32)c1 962092544 NKAHKNCOXVYMQB-SFHVURJKSA-N 348.259 4.227 50 1 EIGF C=C(C)[C@H]1C[C@@H](O)/C(C)=C/CCC(=C)[C@@H](OO)CC[C@@]2(C)O[C@@H]2C1 238755965 XRZMOXDNLVHOGQ-OPDARFINSA-N 336.472 4.412 50 1 EIGF C=C(CO)[C@@H]1CC[C@@](C)(OO)/C=C/C/C(C)=C\CC/C(C)=C/[C@@H]1O 195241219 HGPWGHBBMMTDTA-YIVIGQBWSA-N 336.472 4.173 50 1 EIGF CC1(C)O[C@](C)(C=CCl)[C@H](Br)C[C@H]1Br 2356505922 UKJVBIAAYSSDNV-NQMVMOMDSA-N 346.490 4.224 50 1 EIGF C=C(C)[C@@H]1CCC(=C)[C@H](OO)CCC(=C)[C@H]2CC[C@@](C)(O2)[C@H](O)C1 2356794375 LDSZQHNFGCMCQU-LASHMREHSA-N 336.472 4.412 50 1 EIGF FC(F)(F)c1ccc(CC2CCC3(CC2)OOCCCOO3)cc1 43606077 TWADOKVUBYDHPF-UHFFFAOYSA-N 346.345 4.435 50 1 EIGF CCCc1c(O)ccc2c1O[C@](CBr)(C(C)C)CC2=O 587456378 NXUSRJGKJYZVGT-MRXNPFEDSA-N 341.245 4.100 50 1 EIGF Cc1cccc(OC(=O)c2cc3cc(CCl)ccc3oc2=O)c1 13676420 BKZAETVJBZCMRU-UHFFFAOYSA-N 328.751 4.059 50 1 EIGF C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1[C@@H]1C[C@H](C=O)C[C@H](O)OO1 2356667913 VUWOGLPICKGRDI-LAIFEGOXSA-N 336.472 4.029 50 1 EIGF C=C1CCC2=C(C)C(=O)O[C@@H]2C=C(C)CC[C@@H]2O[C@]2(C)CC[C@@H]1OO 2356552440 QJIDMGCCWQEXAG-HLNWXESRSA-N 348.439 4.101 50 1 EIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCCCl)N1 587684393 KNXMIIONNOGZEI-XPTSAGLGSA-N 334.660 4.357 50 1 EIGF CC(C)(C)O[C@@H]1C[C@]2(c3ccc(F)cc3C[C@H]3CCCN32)[C@H]1Cl 963117244 XZICMSNTSMDOKU-NWGLXNPWSA-N 337.866 4.236 50 1 EIGF O=C(Nc1ccccc1)O/N=C(/CBr)c1ccccc1 6041118 HGRCHYGLDVPBII-JXAWBTAJSA-N 333.185 4.034 50 1 EIGF O=C(CC12CC3CC(CC(C3)C1)C2)NNc1cccc2ncccc12 40953002 QTVKEAVSBKUYCG-UHFFFAOYSA-N 335.451 4.284 50 1 EIGF CC(C)[Si](O[C@@]12CC[C@@H](C[C@@H]1O)C[C@@H]2C(=O)O)(C(C)C)C(C)C 195453550 SRCNKDRSZASSMC-XLMAVXFVSA-N 342.552 4.183 50 1 EIGF C/C(=N\NC(=O)c1ccc(Cl)cc1)c1ccc(-n2cccc2)cc1 103224071 FLXGBKRXELURDD-KGENOOAVSA-N 337.810 4.285 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H](Cl)c1ccc(F)cc1)O2 587384558 MCUIRMLGJMTBRI-ZWKOTPCHSA-N 333.790 4.420 50 1 EIGF CC(C)=C(C=O)CC[C@@H]1C(=O)CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@]12C 2356421424 JWQFSZPHDJUDSP-VUBSUSDNSA-N 334.456 4.178 50 1 EIGF CCC=C(C)C=CCCC[C@]1(OC)CC[C@@H]([C@H](C)C(=O)O)OO1 2356611772 JTPFZCWDSAHJHT-XYJFISCASA-N 326.433 4.243 50 1 EIGF CC1(C)C=CC(=O)[C@@](C)([C@H]2CC[C@](C)(Cl)[C@@H](Br)C2)O1 34268476 PXPRNVNJRBIVSF-LWWSYDQCSA-N 349.696 4.240 50 1 EIGF C#CC=CC[C@H](Cl)[C@@H]1CC=CC[C@@H](Br)[C@H](CC)O1 2356529922 WMDYCUMSABQCMS-QPSCCSFWSA-N 331.681 4.451 50 1 EIGF C=C(C)C(=O)/C=C(\Cl)[C@@](C)(Cl)[C@H](Br)CCl 145860511 QRDOBLZPGKSKEF-OVGMLNDJSA-N 334.468 4.254 50 1 EIGF CCc1cc(=O)c2ccc(OCC(C)C)c(CBr)c2o1 73197774 PTHGIULXTPKAPQ-UHFFFAOYSA-N 339.229 4.285 50 1 EIGF Cc1nccc2[nH]c([C@H](C)c3ccc(CBr)cc3)nc12 586973026 FAZHWQHZZQOWBG-SNVBAGLBSA-N 330.229 4.313 50 1 EIGF CC(C)=C(c1ccccc1)N(CCOCC(F)(F)F)C(=O)CCl 103171143 HDKWZRNFEMFUEK-UHFFFAOYSA-N 349.780 4.084 50 1 EIGF CCCCOc1ccc(OCCCC)n1-c1ccnc(CCl)n1 587941093 RMHASFMCCHGFDU-UHFFFAOYSA-N 337.851 4.364 50 1 EIGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CCl)(c2ncccc2C)N1 962949492 FWBTWMLTPMZTBV-JLTOFOAXSA-N 339.870 4.278 50 1 EIGF O=C(Oc1ccc(Cl)cc1)c1cc2cc(CCl)ccc2oc1=O 13676410 CFWMGUMXBLNHHA-UHFFFAOYSA-N 349.169 4.404 50 1 EIGF CC(C)[C@@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccc4ccccc4c3)c21 13139110 STGILPZYVPADSY-MRXNPFEDSA-N 330.391 4.056 50 3 EIGF CC(C)(C)CNC(=N)CCSSCCC(=N)NCC(C)(C)C 169331143 HEMLAOOGRFFOOS-UHFFFAOYSA-N 346.610 4.374 50 1 EIGF Cc1c(CCCCl)[nH]c2c1c(Br)cc1n[nH]cc12 587622178 ZUDMWFRILCCXHP-UHFFFAOYSA-N 326.625 4.287 50 1 EIGF Fc1ccc([C@]23CCC[C@H](OO[C@@H](C4CCCCC4)OO2)O3)cc1 58608771 OKOXIGMRJRVPFZ-KSZLIROESA-N 338.375 4.322 50 1 EIGF CC(C)(F)[C@H](Br)c1nc2c(Cl)cnc(Cl)c2[nH]1 587087612 RXFQCXRJUWSKNV-SSDOTTSWSA-N 341.011 4.449 50 1 EIGF COc1cc(/C(C#N)=C/c2cnc3ccccc3c2)cc(OC)c1OC 221225567 VSQXXONUDQORNU-RQZCQDPDSA-N 346.386 4.325 50 1 EIGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(O)cc1)CC2=O 587458649 DSPWAEISDYFMOR-IBGZPJMESA-N 346.810 4.150 50 1 EIGF CC(C)=CCC[C@H](C)[C@@H]1CCC[C@@]2(C)CC=C(C=O)[C@@]1(C=O)[C@H]2O 2356482223 IVWAHKOUUAMNFT-RKFFNLMFSA-N 332.484 4.251 50 1 EIGF C/C=C/C1=Nc2c(oc3ccc(Br)cc23)/C(=C/C=O)O1 43009945 DLLRICTZKPPQAQ-OBBGFGQDSA-N 332.153 4.371 50 1 EIGF CC[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587324825 AHPNONMVCNESIO-FUHWJXTLSA-N 334.774 4.278 50 1 EIGF Cc1cnc2[nH]c([C@@H](C)c3ccc(CBr)cc3)nc2c1 586973205 GSCCYLRNARZANF-NSHDSACASA-N 330.229 4.313 50 1 EIGF CSc1ccc(CNC(=O)C[C@@]2(C)CC3(CCCCC3)OO2)cc1 49710467 XYJYINJWXKGOJA-SFHVURJKSA-N 349.496 4.228 50 1 EIGF CCc1cc(=O)c2ccc(OC(C)C)c(CBr)c2o1 73200389 JYFFYKJKGGBVGE-UHFFFAOYSA-N 325.202 4.038 50 1 EIGF CC1(C)O[C@](C)(/C=C/Cl)[C@H](Br)C[C@@H]1Br 85735219 UKJVBIAAYSSDNV-BAZKGXGOSA-N 346.490 4.224 50 1 EIGF CC(=O)O[C@@H]1C(C=O)=CCC=C(C)C[C@H](O)[C@H]1[C@H](C)CCC=C(C)C 2356461673 PFLUUKDRZGYDSO-UMSONDCASA-N 348.483 4.143 50 1 EIGF Cn1cccc1[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587500251 ZPJYYAXFVWGLHB-LJQANCHMSA-N 329.827 4.003 50 1 EIGF COc1ccc(Cl)cc1C#Cc1cc(F)c(F)cc1C(=O)Cl 587914980 GVAVBHBAYGVQEE-UHFFFAOYSA-N 341.140 4.406 50 1 EIGF C=C(CO)[C@@H]1CC[C@@](C)(OO)/C=C\C/C(C)=C\CC/C(C)=C\[C@@H]1O 169309451 HGPWGHBBMMTDTA-SNOUWWLVSA-N 336.472 4.173 50 1 EIGF COC(C)(C)[C@@H](Br)c1nc2cc(Cl)c(F)cc2[nH]1 586971177 OAQJUHYGOYUNDE-JTQLQIEISA-N 335.604 4.216 50 1 EIGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OC(C)(C)C)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 169371358 PIIQBEAIJBJGLJ-BXPBGZPCSA-N 340.460 4.010 50 1 EIGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccccc1)CC2=O 587461634 RVRUNMHJKDYWGB-LJQANCHMSA-N 330.811 4.444 50 1 EIGF O=C1C[C@@](CBr)(C2CCC2)Oc2c1ccc1c2CCCC1 587497994 FABHDGFAPWYPDB-GOSISDBHSA-N 349.268 4.464 50 1 EIGF CCC=C(C)C=CCCC[C@]1(OC)CC[C@@H]([C@H](C)C(=O)OC)OO1 2356464518 MORRHHHLCADBJK-JENIJYKNSA-N 340.460 4.332 50 1 EIGF CC1(C)C=CC(=O)[C@](C)([C@@H]2CC[C@@](C)(Cl)[C@H](Br)C2)O1 13382366 PXPRNVNJRBIVSF-FKGLVLAHSA-N 349.696 4.240 50 1 EIGF biogenic CCCC1=C(C(=O)OC)[C@H](c2ccc(F)cc2Cl)C(C#N)=C(C)N1 58568703 ZBHGJXVSUFQFPP-MRXNPFEDSA-N 348.805 4.191 50 1 EIGF CC1=CC[C@H](C(C)(C)Cl)O[C@H]1C(Br)Br 86036138 RHABCRQHZGGHKU-HTQZYQBOSA-N 346.490 4.224 50 1 EIGF FC(F)(F)Oc1cccc2nc(CCCCBr)[nH]c12 586972465 SMEYTWHBKIJXTC-UHFFFAOYSA-N 337.139 4.179 50 1 EIGF CC=C[C@@H]1CC=CC[C@H](Cl)[C@H](C[C@@H](O)C=C=CBr)O1 2356419477 UAKMIDIJYGIRKO-OACDNRIOSA-N 347.680 4.088 50 1 EIGF CC(/C=C/c1ccco1)=N/NC(=O)CNc1ccc2ccccc2c1 13132543 NJGJNLYYIRGPDT-MZGCFZMMSA-N 333.391 4.050 50 1 EIGF Cc1ccc(/C=C(/C#N)c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1 587188849 XUMMPHBJIFTQCL-SDQBBNPISA-N 338.754 4.497 50 1 EIGF COc1ccc(C[C@H](C#N)C(C#N)=Cc2ccc(OC)c(OC)c2)cc1 2356430392 KGCCITMWQZHGKS-QGZVFWFLSA-N 348.402 4.002 50 1 EIGF CN1Cc2c(NC(=O)OCCCl)cccc2[C@@H](c2ccccc2)C1 33641838 JBUMIENRXVFESF-MRXNPFEDSA-N 344.842 4.051 50 1 EIGF O=C1[C@@H](Cl)[C@@H](c2cc3ccccc3nc2S)N1c1ccccc1 103189157 WYFLWOIJZBNMJY-JKSUJKDBSA-N 340.835 4.219 50 1 EIGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc(Cl)cc1)[C@@H](C2)C3=O 587418578 UEBBTXDFCPOAEX-KBXCAEBGSA-N 349.213 4.230 50 1 EIGF CC1(C)CC(=O)[C@H](Cl)[C@]2(C1)c1c(F)cccc1C[C@H]1CCCN12 963100688 KPLRQTBRXJRGRW-FMEYXAORSA-N 335.850 4.038 50 1 EIGF O=C1CS[C@H](c2c(Cl)cccc2Cl)N1[C@H]1CC[C@@H]1Cl 40936203 HSJQDFQRYSOTJP-LCWDIZFYSA-N 336.671 4.337 50 1 EIGF CCCCNc1ncnc2c1cnn2C[C@@H](Cl)c1ccccc1 40900374 OWQSKFMEYPTYKI-OAHLLOKOSA-N 329.835 4.018 50 1 EIGF CC(C)[C@@]12C=C3CC[C@@H]4[C@@](C)(C(=O)O)CCC[C@]4(C)[C@]3(CC1)OO2 238780147 OOHFJWCHEFCJDC-QDGKJQRMSA-N 334.456 4.493 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H]3CC[C@]1(CCl)C3(C)C)O2 587374833 JWIAIFUYBXRLTJ-ZUSMLRIVSA-N 333.859 4.346 50 1 EIGF CC(C)C(C=O)=CC[C@@H]1C(=O)CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@@]12C 2356381137 AZDNKBZTUMFXFL-LQJIQPLVSA-N 334.456 4.034 50 1 EIGF CCCCCCCCSC(=S)N(C)NC(=O)c1ccccn1 1571693 SQTBBZGBELGZRU-UHFFFAOYSA-N 339.530 4.037 50 1 EIGF CC[C@H](C)CCO[C@@H]1OC(=O)[C@]23C[C@@H]4CC(C)(C)CC4=C(C=O)[C@]12C3 84690543 CERWTWXWRVGAAK-QXCHSYQJSA-N 346.467 4.034 50 1 EIGF CCCc1c(O)ccc2c1O[C@@H]([C@H]1CCCC(C=O)=C1Cl)CC2=O 587462809 UAZHGFQFTQUCSL-RHSMWYFYSA-N 348.826 4.170 50 1 EIGF C=C(C)[C@H](CCC(C)=CCOc1cc(O)cc2oc(=O)ccc12)OO 2356698448 WUMPJBOGGVGFTH-INIZCTEOSA-N 346.379 4.038 50 1 EIGF CC(C)(F)[C@@H](Br)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587086907 IPOKGSKQXSJWBZ-VIFPVBQESA-N 343.093 4.303 50 1 EIGF CCOc1cc(C(=CC#N)c2ccc(OC)c(OC)c2)ccc1OC 1857623336 BVTDODKZHFYENY-UHFFFAOYSA-N 339.391 4.066 50 1 EIGF CC(C)(C=CC[C@]1(C)CC[C@]2(C)O[C@@H]2CC[C@](C)(O)[C@@H]2C[C@H]21)OO 2356753089 QVXHUQXNTXETOI-QPIKJRODSA-N 338.488 4.326 50 1 EIGF C/C(=C/COc1cc(O)cc2oc(=O)ccc12)C/C=C\C(C)(C)OO 238783810 ZJGDUKAUVBWMKG-IGZRSVTPSA-N 346.379 4.038 50 1 EIGF O=C1C[C@@](CCl)(c2cscn2)Oc2c1ccc1c2CCCC1 587535761 OCROAIPOHHFUGN-QGZVFWFLSA-N 333.840 4.121 50 1 EIGF CC(=O)O[C@@H]1C[C@@H](C)[C@]2(CC/C(=C\C=O)O2)[C@@]2(C)CCCC(C)(C)[C@H]12 59587570 DTODGYVUKUZPTH-FWVSRRSQSA-N 348.483 4.423 50 1 EIGF biogenic,in-vitro CCCc1c(O)ccc2c1OC(CCCl)(CCCl)CC2=O 587461206 QXBAPBWTUTZNJW-UHFFFAOYSA-N 331.239 4.307 50 1 EIGF C[C@@H](Br)[C@]1(C2CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587500043 PTXCIWYHSFBBHQ-ZMZPIMSZSA-N 349.268 4.463 50 1 EIGF Fc1cc(C(F)(F)F)c2[nH]c(CCCCBr)nc2c1 586972719 ZRKDZOZUBOQOGG-UHFFFAOYSA-N 339.130 4.438 50 1 EIGF O=C1C[C@]2(CCC[C@H]2Br)Oc2c1ccc1c2CCCC1 587495220 CBVOXAFVVLDXFV-WBVHZDCISA-N 335.241 4.217 50 1 EIGF O=C(Cl)[C@H]1[C@H](c2ccccc2)[C@H](C(=O)Cl)[C@H]1c1ccccc1 238776435 RHZJLTRJKJIMFT-SYMSYNOKSA-N 333.214 4.331 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(C1CCC(F)(F)CC1)O2 587383895 XCKJYCSOHCPOGQ-INIZCTEOSA-N 343.801 4.346 50 1 EIGF N#C/C(=C/c1ccc(O)c(O)c1)c1nc(-c2ccc(F)cc2)cs1 587921890 FEXXWQVCBUHFBU-QPEQYQDCSA-N 338.363 4.425 50 1 EIGF Oc1ccc([C@@]2(CCl)c3ccc(F)cc3C[C@H]3CCCN32)cc1 963115879 XTURKDRPPBKOPV-APWZRJJASA-N 331.818 4.034 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)ccc1C)O2 587373184 QFTVEKYXJLQRKC-LJQANCHMSA-N 329.827 4.294 50 1 EIGF CC(C)[Si](O[C@@]12CC[C@@H](C[C@@H]1O)C[C@@H]2CO)(C(C)C)C(C)C 195508217 YONZTXUKJXVFES-ZJPYXAASSA-N 328.569 4.091 50 1 EIGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(Cl)cc1)[C@@H](C2)C3=O 587418581 UEBBTXDFCPOAEX-KSSFIOAISA-N 349.213 4.230 50 1 EIGF C[C@H](Br)c1nc2cc(Br)c(F)c(F)c2[nH]1 587007678 CSYKEMUCVUYOEM-VKHMYHEASA-N 339.965 4.060 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)c(F)c(C)c1)O2 587381595 KFGDJXXGGDBIKC-IBGZPJMESA-N 347.817 4.433 50 1 EIGF COc1cc2c3c(c1)O[C@](Cc1ccccc1)([C@H](C)Cl)[C@@H](C2)C3=O 587418046 RHAINTGDJVDYSO-SLSDUTBNSA-N 342.822 4.051 50 1 EIGF COc1ccc(Cl)cc1C#Cc1cc(CBr)ccn1 587897886 AAYYMAHZIRGMPK-UHFFFAOYSA-N 336.616 4.038 50 1 EIGF C#CC=CC[C@@H]1OC(=C(Br)CC)C[C@@H]2O[C@H]2C[C@H]1Cl 2356498085 IPGHQCSIHTZTOJ-DHMWGJHJSA-N 345.664 4.136 50 1 EIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(C2CCC2)N1 587682267 CASZLTBMCZJKQZ-VFZGTOFNSA-N 346.671 4.357 50 1 EIGF COc1ccc(Cl)cc1C#Cc1ccc(NC(=O)[C@@H](C)Cl)cc1 587906459 GUGBVTHTPDPHGQ-GFCCVEGCSA-N 348.229 4.314 50 1 EIGF CC[C@@H]1OC(=O)CCCCCCCC=C[C@H]2[C@@H]1C[C@@H](Cl)[C@H]2O 2356416857 HXFOJGYVWJVNOO-RPUYLAQPSA-N 328.880 4.213 50 1 EIGF CCCCCCCCCSC(=S)NNC(=O)c1ccccn1 43411293 IAQJFTPEVQPPGO-UHFFFAOYSA-N 339.530 4.085 50 1 EIGF CC/C=C(C)/C=C/CCC[C@@]1(OC)C[C@@H](C)[C@@H](CC(=O)OC)OO1 238748343 MMZGNYMATSQASW-DFDJXIRRSA-N 340.460 4.332 50 1 EIGF CC(C)[Si](O[C@]12CC[C@H](C[C@@H]1C(=O)O)C[C@H]2O)(C(C)C)C(C)C 254136552 SRCNKDRSZASSMC-YFHUEUNASA-N 342.552 4.183 50 1 EIGF C=C1CC[C@H](C(C)C)C=C[C@](C)(O)C[C@@H](O)C=C(C)CC[C@@H]1OO 2356391809 DKVSLOHNSJTRIQ-MUGJNUQGSA-N 338.488 4.252 50 1 EIGF OC1(c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)CCOCC1 586913803 PAUAYWHYUYTOST-UHFFFAOYSA-N 344.305 4.218 50 1 EIGF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1CCl 587376712 SYLBTJBHNIKVAY-QGZVFWFLSA-N 331.799 4.031 50 1 EIGF CC1(C)O[C@](C)(C=CCl)[C@@H](Br)C[C@H]1Br 2356505921 UKJVBIAAYSSDNV-KHQFGBGNSA-N 346.490 4.224 50 1 EIGF C#CC=CCC=CC[C@@H]1O[C@H](CC)[C@H](Br)C[C@@H]1Cl 2356497221 FXXNVLKJOSSFCK-BARDWOONSA-N 331.681 4.451 50 1 EIGF CC1=C[C@@H]2OC(=O)C(C)=C2CC[C@]2(C)O[C@@H]2CC[C@@](C)(OO)C=CC1 2356803454 XCPZVIVLBYIURX-HNJRGHQBSA-N 348.439 4.101 50 1 EIGF O=C(N/N=C/[C@@H]1CCCO1)N1c2ccccc2Sc2ccccc21 73240338 WYABGMIROXBOAX-HCZVKUGISA-N 339.420 4.164 50 1 EIGF COc1cc2c3c(c1)O[C@@](CCCCl)(c1ccccc1)[C@@H](C2)C3=O 587418870 BJDRFKPFOBKVQC-JXFKEZNVSA-N 342.822 4.357 50 1 EIGF C#CC=CCC=CC[C@H](Br)[C@@H]1C[C@H](Cl)[C@H](CC)O1 2356587763 WMHQOEDWBUGVOO-AJNGGQMLSA-N 331.681 4.451 50 1 EIGF COc1cc2c3c(c1)O[C@@](c1ccc(F)cc1)([C@@H](C)Cl)[C@@H](C2)C3=O 587426208 AQSKKIYUSQAYGY-RSXSOOJNSA-N 346.785 4.105 50 1 EIGF c1ccc([C@]23OO[C@H](C4CCCCC4)OO[C@@H]2[C@@H]2CC[C@H]3C2)cc1 195204361 COADCJGMCLNEBK-HKUYMTLNSA-N 330.424 4.497 50 1 EIGF CCCc1c(O)ccc2c1O[C@H]([C@@H](Br)C(C)C)CC2=O 587450060 DDYNIMZIHRJMBU-GJZGRUSLSA-N 341.245 4.098 50 1 EIGF CC(=O)OCC/C(C)=C(Cl)/C=C/[C@](C)(Cl)CBr 13379408 CLBWWJUVFJDYMJ-ZHEUWFBNSA-N 344.076 4.401 50 1 EIGF C[C@]1(CC(=O)NCc2cccc(Cl)c2)CC2(CCCCC2)OO1 49709618 CVYPJFLZLTYYGL-KRWDZBQOSA-N 337.847 4.160 50 1 EIGF Cc1cccc(C(=O)N(NC(=O)c2ccc(Cl)cc2)C(C)(C)C)c1 1092852 JMBCOKCIMDYSCW-UHFFFAOYSA-N 344.842 4.234 50 1 EIGF CC(C)(C)c1cc(/C=C(\C#N)C2=NCCO2)cc(C(C)(C)C)c1O 1658000 PPKMXZRKRRVNTN-NTEUORMPSA-N 326.440 4.323 50 1 EIGF CC(C)=C(C=O)CC[C@H]1C(=O)CC[C@@H]2[C@]1(C)CCC[C@@]2(C)C(=O)O 70451221 JWQFSZPHDJUDSP-JQERWDHBSA-N 334.456 4.178 50 1 EIGF biogenic,in-vitro C=C(C)C(=O)/C(Cl)=C\[C@](C)(Cl)[C@H](Br)CCl 111456421 FGDONCJPOYFCKW-IKQLYWNUSA-N 334.468 4.254 50 1 EIGF C=C/C=C/C[C@H]1O[C@](Br)(CBr)CC[C@H]1C 139798805 IFOLTEJQEKCSHN-INHAFSAOSA-N 338.083 4.420 50 1 EIGF CCOc1ccc(/C(C=O)=C(\Cl)c2ccc(OC)c(OC)c2)cc1 1617200 UIIYZXFQIMWKAE-MNDPQUGUSA-N 346.810 4.409 50 1 EIGF COc1cc(/C=C/[N+](=O)[O-])cc(O[Si](C)(C)C(C)(C)C)c1OC 195282739 JCUWBGMOXJSVOE-CMDGGOBGSA-N 339.464 4.335 50 1 EIGF CN(C)CCCOc1ccccc1/C=C(\C#N)c1noc2ccccc12 40646008 ZBMZJPDLNOZYKA-SAPNQHFASA-N 347.418 4.222 50 1 EIGF CC/C=C(C)/C=C/CCC[C@]1(OC)C[C@H](C)[C@H](CC(=O)OC)OO1 49807580 MMZGNYMATSQASW-YRWIGPPUSA-N 340.460 4.332 50 1 EIGF CC[C@H](C)CCO[C@H]1OC(=O)[C@]23C[C@@H]4CC(C)(C)CC4=C(C=O)[C@]12C3 84690541 CERWTWXWRVGAAK-KGWINWRISA-N 346.467 4.034 50 1 EIGF C/C=C/C=C/C=C(\C=O)[C@@H](OCc1c(O)cccc1CCC)C(C)=O 221082577 PKFDPDJJEWMKLV-HHESUUKYSA-N 342.435 4.077 50 1 EIGF C=C(C)[C@@H](CC[C@@]1(C)CC[C@]2(C)O[C@H]2CC[C@](C)(O)[C@H]2C[C@@H]21)OO 44431118 PNSFHPGODPYTML-DSWGTCOTSA-N 338.488 4.326 50 1 EIGF CC1=C(C#N)[C@@H](c2sc3ccccc3c2C)[C@@H]2C(=O)CCC[C@H]2N1 73198346 OKWUXTVXQSAJEW-LZQZEXGQSA-N 336.460 4.432 50 1 EIGF C=C(C)C(=O)C(Cl)(Cl)C=C(C)[C@@H](Br)CCl 2356499412 DDNRDJDOVHKRFA-QMMMGPOBSA-N 334.468 4.254 50 1 EIGF CC(=O)NNc1ccccc1Sc1ccccc1Br 299819938 DNHBGZZPDPOGLB-UHFFFAOYSA-N 337.242 4.063 50 1 EIGF O=C(Cl)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@H]1C(=O)c1coc2ccc(Cl)cc12 587276738 SVCPCXCSJZNXOZ-MAUFJKMRSA-N 335.186 4.473 50 1 EIGF CC(C)(C)c1ccc(/C=N/NC(=O)Cc2c[nH]c3ccccc23)cc1 353890 UPNAKFCRNVRIIP-YDZHTSKRSA-N 333.435 4.158 50 3 EIGF O=C(CCC1CCCCC1)N/N=C\c1ccc(Br)cc1 103167755 SOBIUUPEHIGGEI-PDGQHHTCSA-N 337.261 4.260 50 1 EIGF COC(=O)/C=C(/C=O)CC[C@@H]1C(C)=CC(=O)[C@@H]2C(C)(C)CCC[C@@]12C 238745430 QEMRWXIMBVUYBG-DQKHKZODSA-N 346.467 4.043 50 1 EIGF O=C1C[C@](CBr)(CC2CC2)Oc2c1ccc1c2CCCC1 587498589 IMMZHFTUTVSXNF-SFHVURJKSA-N 349.268 4.464 50 1 EIGF CC(C)[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587688286 KQXXGVFSILUFDN-OTYXRUKQSA-N 334.660 4.213 50 1 EIGF Cn1c2c(c3ccccc31)[C@@H]1CCCCCC[C@@H]1[C@@H]1C(=O)OC(=O)[C@@H]21 299816058 PLPKUGCPCLWSFX-XLQHLMKVSA-N 337.419 4.029 50 1 EIGF ClCCc1[nH]c2c(c(Br)cc3n[nH]cc32)c1CCl 587621445 UIVLMYAYEXHJEH-UHFFFAOYSA-N 347.043 4.327 50 1 EIGF C=C(C)C(=O)C(Cl)=C[C@@](C)(Cl)[C@@H](Br)CCl 2356477699 FGDONCJPOYFCKW-WCBMZHEXSA-N 334.468 4.254 50 1 EIGF CC(=CCOc1cc(O)cc2oc(=O)ccc12)CC=CC(C)(C)OO 2356600090 ZJGDUKAUVBWMKG-UHFFFAOYSA-N 346.379 4.038 50 1 EIGF CC1([C@@H]2OO[C@H]3[C@H]4CC[C@@H](C4)[C@@]3(c3ccccc3)OO2)CCCC1 253633377 JUVNKQTXBABKMQ-AACLIANESA-N 330.424 4.497 50 1 EIGF O=C(N/N=C/[C@H]1CCCO1)N1c2ccccc2Sc2ccccc21 73240340 WYABGMIROXBOAX-KZKLBEMASA-N 339.420 4.164 50 1 EIGF N#C/C(=C(/O)CSc1ccccn1)c1nc2ccccc2s1 101579111 LEYARMZOMMPPII-QBFSEMIESA-N 325.418 4.276 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)CC1(O2)[C@@H](Cl)CCCCC[C@@H]1Cl 587383630 ZHJGLWOUMYFHKQ-GJZGRUSLSA-N 342.266 4.460 50 1 EIGF C=CCC[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587543062 INTJUKDLHJMINC-LPHOPBHVSA-N 344.794 4.298 50 1 EIGF CO[C@@H]1C(=O)[C@]2(C)CC[C@@]3(C)CCC(C(C)C)=C3[C@@H]2CC=C1C=O 2356324980 MHJIISMBXWZQGF-XIGKFDRGSA-N 330.468 4.269 50 1 EIGF COc1cc2c(cc1OC)C(c1ccccc1CCCCl)=NCC2 1650697 HNEFLMUHGXXTGD-UHFFFAOYSA-N 343.854 4.269 50 1 EIGF c1ccc([C@]23OO[C@@H](C4CCCCC4)OO[C@H]2[C@H]2CC[C@H]3C2)cc1 101210345 COADCJGMCLNEBK-ONSCTEFMSA-N 330.424 4.497 50 1 EIGF CS(=O)(=O)c1ccc2[nH]c(CCl)c(-c3ccc(F)cc3)c2c1 587649828 CGVFZDIKQBLFOY-UHFFFAOYSA-N 337.803 4.116 50 1 EIGF CC(C)[C@@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587689182 QOBGIRCORMHZIJ-LKFCYVNXSA-N 334.660 4.213 50 1 EIGF COc1ccc(Cl)cc1C#Cc1ccccc1C[C@H](C)N=C=O 587901485 FIMVIFRBGYDQNR-AWEZNQCLSA-N 325.795 4.015 50 1 EIGF COc1ccc2nc([C@@H](C)c3ccc(CBr)cc3)[nH]c2n1 586972698 AHAUSHVJDZHJMY-JTQLQIEISA-N 346.228 4.013 50 1 EIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@@H]2Cl)N1 587706883 SFPPLKNVHGATLP-MURWCNHISA-N 346.671 4.499 50 1 EIGF CC1=C(C#N)[C@](C)(c2ccc(F)cc2)C(C(=O)OC(C)(C)C)=C(C)N1 62224646 WAWIBIZHQRQPHD-FQEVSTJZSA-N 342.414 4.100 50 1 EIGF c1ccc([C@]23OO[C@H](C4CCCCC4)OO[C@@H]2[C@H]2CC[C@H]3C2)cc1 253690078 COADCJGMCLNEBK-LFAQGZIKSA-N 330.424 4.497 50 1 EIGF CC1(C)CCC[C@]2(C)[C@H](C=Cc3ccoc3)C(C=O)=C(O)C(=O)[C@@H]12 2356499853 KUZVESKWERRMKK-MOXGXCLJSA-N 328.408 4.335 50 1 EIGF CN(C)C[C@@H](Br)c1ccc(Br)c(Cl)c1 169345651 UGSRDZARUQBJSV-SECBINFHSA-N 341.474 4.100 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(CCCl)cc1)O2 587377272 VQCFUWIDECYHRA-LJQANCHMSA-N 329.827 4.239 50 1 EIGF O=C(N/N=C/C1=Cc2ccccc2O[C@@H]1c1ccccc1)c1ccco1 1772589693 KOEMQRZKIDAEIT-YRXLECQKSA-N 344.370 4.213 50 1 EIGF Cc1cc(Br)cc2nc(CCCCBr)[nH]c12 586972463 SFMWBLQIOQHTOI-UHFFFAOYSA-N 346.066 4.351 50 1 EIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C(Cl)Cl)N1 587687364 GETLGAVSGNSEHD-PWCHPLFNSA-N 341.051 4.141 50 1 EIGF CC(C)(Cl)[C@H](Br)C[C@H]1O[C@]1(C)C=CBr 2356792137 JJAKCZPNSKIAGQ-NQMVMOMDSA-N 346.490 4.224 50 1 EIGF C=C[C@]1(C)C=C2C(=O)c3c(NC=O)cccc3C(C)(C)[C@H]2C[C@H]1Cl 34161680 NYBCSTOXOBMCIZ-YYFZDKIDSA-N 343.854 4.475 50 3 EIGF biogenic Cn1cc(C(=O)/C(C#N)=C/c2c[nH]c3ccccc23)c2ccccc21 169312574 NTBMQWKWJTXYKD-GXDHUFHOSA-N 325.371 4.449 50 1 EIGF C[C@@H]1CC[C@@H]2CCO[C@@H]3O[C@]4(CCc5ccccc5)CC[C@@H]1[C@]23OO4 169365728 GNMPJEQAJJPREJ-MMIASXOFSA-N 344.451 4.235 50 1 EIGF CCCN1[C@H](C)Cc2ccccc2[C@]1(CCl)CCSC(C)=O 963240222 YIZIGESSEGLWDA-RDTXWAMCSA-N 339.932 4.447 50 1 EIGF CC(C)(C)OC(=O)NN=C1C(Cl)=C(Cl)C(Cl)=C1Cl 1772584536 SCJUUVLVQVRXKW-UHFFFAOYSA-N 332.014 4.259 50 1 EIGF C#C/C=C/C/C=C\C[C@H]1O[C@@H]([C@@H](Br)CC)C[C@H]1Cl 197190297 CUPRGZVKNKNTTN-LDISCDDKSA-N 331.681 4.451 50 1 EIGF C=CC=CC[C@@H]1O[C@@](Br)(CBr)CC[C@@H]1C 2356431882 IFOLTEJQEKCSHN-SDDRHHMPSA-N 338.083 4.420 50 1 EIGF BrCCCCc1nc2cccc(Br)c2[nH]1 586972237 KNVLWVVHICWNOH-UHFFFAOYSA-N 332.039 4.043 50 1 EIGF CCC[C@H](NC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 73162267 HMVYDZAVWQLUPU-UMEYKSNOSA-N 349.390 4.159 50 1 EIGF CC(C)(C)O[C@@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H]1Cl 587497991 HSRQPPCLJJNWOS-POAQFYNOSA-N 348.870 4.464 50 1 EIGF C=C(C)C(=O)C=C(Cl)[C@@](C)(Cl)[C@H](Br)CCl 2356602940 QRDOBLZPGKSKEF-SCZZXKLOSA-N 334.468 4.254 50 1 EIGF c1ccc([C@]23OO[C@@H](C4CCCCC4)OO[C@@H]2[C@@H]2CC[C@H]3C2)cc1 195204371 COADCJGMCLNEBK-MTEHYEEQSA-N 330.424 4.497 50 1 EIGF O=C(NN(CC1CCCCC1)C(=O)c1ccccc1)c1ccccc1 103200367 QLFORKOADGIJGQ-UHFFFAOYSA-N 336.435 4.054 50 1 EIGF COc1ccc(Cl)cc1C#Cc1ccn2cc(CCl)nc2c1 587912907 QWDLRUDXYKHJPH-UHFFFAOYSA-N 331.202 4.135 50 1 EIGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccccc1)CC2=O 587461624 RVRUNMHJKDYWGB-IBGZPJMESA-N 330.811 4.444 50 1 EIGF O=C(O)c1cccc2c(Cc3ccccc3)c(CBr)[nH]c12 587636979 RJTOONNPIZHFEX-UHFFFAOYSA-N 344.208 4.352 50 1 EIGF COC(=O)N/N=C/c1cc(N=Nc2ccccc2Cl)ccc1O 299846756 RZNFYNKPFDRLLU-WHNVYWEUSA-N 332.747 4.151 50 1 EIGF O=C(N/N=C/c1cccc(Cl)c1)c1cc2cc(Cl)ccc2[nH]1 1911579735 XPDKZSVGFGAREV-DJKKODMXSA-N 332.190 4.239 50 1 EIGF COc1cccc(COc2ccccc2C2=NO[C@H](CCl)C2)c1 26503936 MJYBPZUUPOSFCL-HNNXBMFYSA-N 331.799 4.006 50 1 EIGF O=C(CCCCc1ccccc1)NNc1c(Cl)cncc1Cl 84654023 BJASKUIFXLDNDD-UHFFFAOYSA-N 338.238 4.245 50 1 EIGF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C[C@@H]1Cl 587462564 RDNQZWUOOCPPGS-ICSRJNTNSA-N 342.822 4.369 50 1 EIGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](c3ccco3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103190887 MJQRBLORKZOFAJ-CEGFPARRSA-N 334.412 4.203 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cccc(Cl)c1)O2 587374878 ZYEAKTHDLVCHIZ-KRWDZBQOSA-N 336.218 4.330 50 1 EIGF C=C1CC[C@]2(C)C(C)(C)CCC[C@]2(C)[C@@H]1[C@@H]1C=C(C=O)C[C@@H](O)OO1 2356709161 QHXJLDRTDTZAFU-DSVUQQCSSA-N 348.483 4.340 50 1 EIGF CNC(=O)[C@H]1C[C@@H]1c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587236758 YXKYMXRJJZIQKB-YUMQZZPRSA-N 341.305 4.070 50 1 EIGF CC=C[C@@H]1CC=CC[C@H](Cl)[C@@H](C[C@@H](O)C=C=CBr)O1 2356419476 UAKMIDIJYGIRKO-AEUSAKAESA-N 347.680 4.088 50 1 EIGF CN(C)c1ccc(/C=N/NC(=O)Nc2cccc3ccccc23)cc1 1857622 LLDLVXDEARUDBL-KGENOOAVSA-N 332.407 4.061 50 1 EIGF CCCc1c(O)ccc2c1O[C@](CCl)(c1c(C)noc1C)CC2=O 587460383 MGIQKJAZVHNNQK-GOSISDBHSA-N 349.814 4.049 50 1 EIGF C#CC=CC[C@H](Cl)[C@@H]1CC=C[C@H](CBr)[C@@H](CC)O1 2356636547 LSMGDYUAQNGEIV-BARDWOONSA-N 331.681 4.308 50 1 EIGF Cc1ccc(/C=C(\C#N)c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1 587188870 XUMMPHBJIFTQCL-WUXMJOGZSA-N 338.754 4.497 50 1 EIGF COc1cc2c(cc1OC)[C@H](c1ccc(CCl)o1)N(C)[C@@H](C)C2 962617977 CNPJKQQJZZJIIY-BBATYDOGSA-N 335.831 4.001 50 1 EIGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](CCl)(c2ncccc2C)N1 962949493 FWBTWMLTPMZTBV-VBKZILBWSA-N 339.870 4.278 50 1 EIGF Cc1c(P(=O)(c2ccccc2)c2ccccc2)c2ccccc2n1C 38142434 SWXCDXYMILWJBK-UHFFFAOYSA-N 345.382 4.126 50 3 EIGF Cc1ccccc1OC(=O)c1cc2cc(CCl)ccc2oc1=O 13676418 MQSUFJBIHSXXJW-UHFFFAOYSA-N 328.751 4.059 50 1 EIGF C=C1CC[C@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C[C@@]2(C)C(=O)/C=C/C(C)(C)OO 238749701 CHWBJCXRMPJUJW-WBCNNKEISA-N 334.456 4.310 50 1 EIGF C[C@@H](c1ccc(CBr)cc1)c1nc2cccc(C#N)c2[nH]1 586973785 ONNZASPBBGFAGH-NSHDSACASA-N 340.224 4.481 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)c(F)c(C)c1)O2 587381598 KFGDJXXGGDBIKC-LJQANCHMSA-N 347.817 4.433 50 1 EIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCCCl)N1 587684388 KNXMIIONNOGZEI-LKFCYVNXSA-N 334.660 4.357 50 1 EIGF Oc1ccc([C@]2(CCl)c3ccc(F)cc3C[C@@H]3CCCN32)cc1 963115889 XTURKDRPPBKOPV-QFBILLFUSA-N 331.818 4.034 50 1 EIGF CCOC(OCC)[P@@](=O)(CCCCCCN=C=S)OCC 1857767204 VTXRZWXJGBERHS-HXUWFJFHSA-N 337.422 4.321 50 1 EIGF CCC=C(C)C=CCCC[C@]1(OC)CC[C@H]([C@H](C)C(=O)O)OO1 2356611770 JTPFZCWDSAHJHT-LZLYRXPVSA-N 326.433 4.243 50 1 EIGF CC[C@H]1OC(=O)CCCCCCC/C=C\[C@H]2[C@H](O)[C@@H](Cl)C[C@H]12 238756194 HXFOJGYVWJVNOO-DLVZFCOASA-N 328.880 4.213 50 1 EIGF COc1cc2c3c(c1)O[C@@](Cc1ccccc1)([C@@H](C)Cl)[C@@H](C2)C3=O 587418045 RHAINTGDJVDYSO-QROBEVECSA-N 342.822 4.051 50 1 EIGF COc1ccc(/C=C/C=O)cc1OCc1ccc(Br)cc1 29488797 MRRZUFPWVPUXTC-NSCUHMNNSA-N 347.208 4.249 50 1 EIGF COC(C)(C)[C@@H](Br)c1nc2cc(Cl)cc(F)c2[nH]1 586970980 JNEYVURBPWLOBI-JTQLQIEISA-N 335.604 4.216 50 1 EIGF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(N=C=O)c1)CC2=O 587466687 AZQHTFVJWADRFG-FQEVSTJZSA-N 337.375 4.193 50 1 EIGF ClC[C@]1(C2CCOCC2)NCCc2cc(-c3ccccc3)ccc21 962661445 ACDOGBCWGGLYFB-OAQYLSRUSA-N 341.882 4.360 50 1 EIGF Cc1ccc(/C=N/NC(=O)/C=C/c2ccc(C(F)(F)F)cc2)cc1 1857647124 OQMFJTULOMJOBU-VNNYSTBCSA-N 332.325 4.177 50 1 EIGF O=[S@](c1ccccc1)c1ccc(N(CCCl)CCCl)cc1 22118 HABZZOWWXDUDHE-NRFANRHFSA-N 342.291 4.137 50 1 EIGF COc1ccc2c(c1)[C@H](c1ccc(OCCCl)cc1)N[C@@H]1CC[C@H]21 962991920 GBMQSARKCXLFSV-RLLQIKCJSA-N 343.854 4.251 50 1 EIGF CC(C)=CCC[C@H](C)[C@@H]1CCC[C@@]2(C)CC=C(C=O)[C@@]1(C=O)[C@@H]2O 2356482221 IVWAHKOUUAMNFT-JBINPLMMSA-N 332.484 4.251 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H](Cl)c1ccc(F)cc1)O2 587384556 MCUIRMLGJMTBRI-QZTJIDSGSA-N 333.790 4.420 50 1 EIGF C=C(C)[C@@H]1CCC(=C)[C@H](OO)CCC(=C)[C@H]2CC[C@@](C)(O2)[C@@H](O)C1 2356794376 LDSZQHNFGCMCQU-LTFPLMDUSA-N 336.472 4.412 50 1 EIGF COc1ccc(-c2[nH]c3cc(OC)ccc3c2C=C(C#N)C#N)cc1 35088783 FZQNHLVXTYFKKP-UHFFFAOYSA-N 329.359 4.283 50 1 EIGF C=C1CC[C@@H](OO)C(=C)CCC2=C(C(C)C)C(=O)C[C@@]2(C)CC1=O 44388203 LYXNFJWTTHPWSB-UYAOXDASSA-N 332.440 4.422 50 1 EIGF biogenic COc1cc2c3c(c1)O[C@](c1ccccc1)(C(Cl)Cl)[C@@H](C2)C3=O 587416923 GHSKBDWJVXOGQS-UGSOOPFHSA-N 349.213 4.142 50 1 EIGF C=CCC[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587543057 INTJUKDLHJMINC-APWZRJJASA-N 344.794 4.298 50 1 EIGF C[C@]1(CCCCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587546954 YZTMTLMWPFTSFN-CRAIPNDOSA-N 332.783 4.132 50 1 EIGF CCC=C(C)C=CCCC[C@]1(OC)C[C@H](C)[C@@H](CC(=O)O)OO1 2356525493 QNOFULCIJFKVRY-LZLYRXPVSA-N 326.433 4.243 50 1 EIGF C[C@@](Cl)(C=CBr)[C@@H](Cl)C=CC(C=O)=CCl 2356539929 GKZINEHWKIQNIO-VHSXEESVSA-N 332.452 4.378 50 1 EIGF COc1ccc(Cl)cc1C#Cc1cccc(NC(=O)[C@@H](C)Cl)c1 587905165 NPDCWHQONABUMG-GFCCVEGCSA-N 348.229 4.314 50 1 EIGF CC(C)(C)O[C@@H]1C[C@]2(c3ccc(F)cc3C[C@H]3CCCN32)[C@@H]1Cl 963117240 XZICMSNTSMDOKU-MYZZLAAOSA-N 337.866 4.236 50 1 EIGF Fc1ccc([C@@H]2OO[C@@H]3[C@@H]4CC[C@@H](C4)[C@@]3(c3ccccc3)OO2)cc1 169313726 LDDQLKCZGVEWLE-YYEFJNLCSA-N 342.366 4.428 50 1 EIGF CC[C@@H](C)O[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 96907594 ZFSKXNMXUQMSTB-IVBYOZDDSA-N 340.460 4.010 50 1 EIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCCCl)N1 587684390 KNXMIIONNOGZEI-OTYXRUKQSA-N 334.660 4.357 50 1 EIGF CC(C)(C)c1ccc2nc([C@H](Br)C(C)(C)F)[nH]c2n1 587086671 GCQGRVKKVHEZPD-JTQLQIEISA-N 328.229 4.440 50 1 EIGF Cc1ccc(/C=C(\C#N)c2nc3c(Br)ccnc3[nH]2)cc1 587187099 BXGXREBRZJFSBH-XYOKQWHBSA-N 339.196 4.093 50 1 EIGF Oc1nc(O)c2cc3c(nc2n1)[C@H](Cl)CCCCCCCCC3 587369248 WXMUSOKEARIENX-CYBMUJFWSA-N 335.835 4.393 50 1 EIGF COc1ccc(Cl)cc1C#Cc1ccccc1NC(=O)[C@@H](C)Cl 587902671 KVPZOEJJHNNFCG-GFCCVEGCSA-N 348.229 4.314 50 1 EIGF COc1cc2c3c(c1)O[C@](C)(c1cccc(N=C=S)c1)[C@@H](C2)C3=O 587451038 INKBUQQWXVXDDY-HNAYVOBHSA-N 337.400 4.092 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1c[nH]c3ccccc13)O2 587374678 ZGAMWOBFWOKEGM-IBGZPJMESA-N 340.810 4.158 50 1 EIGF C/C(C=O)=C\CC[C@H](C)CCOC(=O)C[C@@H](C)CC/C=C(\C)C=O 14616043 SOBOYKNHEAFZOH-FUXIIWMQSA-N 336.472 4.433 50 1 EIGF CC1(C)[C@@H](OC(=O)c2ccccc2)CC[C@@]2(C)C[C@@H]3C=C[C@]12OO3 43676845 MURKHDAAWBTEQC-FVCZOJIISA-N 328.408 4.067 50 1 EIGF CCOC(=O)c1c(CBr)[nH]c2cc(Cl)c(F)cc12 587627939 MNHJKFKADDWWOZ-UHFFFAOYSA-N 334.572 4.032 50 1 EIGF CC1=CC[C@@H](C(C)(C)Cl)O[C@@H]1C(Br)Br 86036132 RHABCRQHZGGHKU-YUMQZZPRSA-N 346.490 4.224 50 1 EIGF CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1C(=O)OC2=O 86050350 GTORZGSMKNNFDU-OXJNMPFZSA-N 330.424 4.297 50 1 EIGF CCNC(=O)CCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587231359 WLLWGVVZJRFJKO-UHFFFAOYSA-N 343.321 4.289 50 1 EIGF C[C@H](Cl)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587323555 KYSLBNLCCHBISJ-HIIUDZQISA-N 334.774 4.276 50 1 EIGF C=C1CC[C@H](C(C)C)C=C[C@](C)(O)C[C@H](O)C=C(C)CC[C@@H]1OO 2356391811 DKVSLOHNSJTRIQ-YRPNKDGESA-N 338.488 4.252 50 1 EIGF C=C[C@](C)(O)CC[C@@H]1[C@@]2(C)CC[C@@H](O2)[C@]1(C)CC=CC(C)(C)OO 2356437253 MMDGRRLDAOVYIQ-KRFUXDQASA-N 338.488 4.492 50 1 EIGF C=C(c1ccc(F)cc1)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 43397050 OTWNNDQEJZRLDD-MCHLOSDYSA-N 330.399 4.338 50 1 EIGF CCCCn1c(-c2ccccc2)c(/C=N/NC(N)=O)c2ccccc21 103222183 QYSRQAPLEOTCGU-HYARGMPZSA-N 334.423 4.111 50 1 EIGF O=CC1=C(Cl)[C@@H]([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CCC1 587499096 LAPVYHILFMYDSI-SJLPKXTDSA-N 344.838 4.391 50 1 EIGF C#CC=CCC=CC[C@@H]1O[C@H]([C@@H](Br)CC)C[C@H]1Cl 2356645750 CUPRGZVKNKNTTN-XGUBFFRZSA-N 331.681 4.451 50 1 EIGF C#C/C=C\C/C=C\C[C@@H](Br)[C@@H]1C[C@H](Cl)[C@H](CC)O1 140630394 WMHQOEDWBUGVOO-FTOZKCMWSA-N 331.681 4.451 50 1 EIGF COc1cc2c3c(c1)O[C@@](CCCl)(c1ccc(C)cc1)[C@@H](C2)C3=O 587424111 XJOSFMYPWUGXGR-JXFKEZNVSA-N 342.822 4.275 50 1 EIGF CCC[C@H](NC(=O)/C(C#N)=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 73163579 AXVGOUOQMKFOGL-WPNIOXTASA-N 349.390 4.159 50 1 EIGF COC(C)(C)[C@@H](Br)c1nc2ccc3c(c2[nH]1)CCCC3 586970465 BJVGEKGDUPUQHO-AWEZNQCLSA-N 337.261 4.303 50 1 EIGF COc1ccc(Cl)cc1C#Cc1ccc([C@@H](O)CCCl)cc1 587906198 UQUSTONEZMGFQP-KRWDZBQOSA-N 335.230 4.411 50 1 EIGF CC(C)=CCC/C(C=O)=C\CC/C(=C/CC/C(C)=C\CO)C(=O)O 14829024 YRJMPHBGWVIBMB-JIZIKDMRSA-N 334.456 4.368 50 1 EIGF biogenic CC1=C(C#N)[C@H](c2ccc3c(c2)OCO3)C2=C(O)CC(C)(C)CC2=N1 104692131 PCIBBXHBVOGGMA-SFHVURJKSA-N 336.391 4.383 50 1 EIGF C[C@@H](Br)[C@@]1(C2CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587500039 PTXCIWYHSFBBHQ-ADLMAVQZSA-N 349.268 4.463 50 1 EIGF CC1(C)C[C@@H](Cl)CN(CCCN2C[C@H](Cl)CC(C)(C)C2)C1 299871172 XYVHPHDLKIDRII-HUUCEWRRSA-N 335.363 4.055 50 1 EIGF CC(=O)Oc1ccc(-c2nc(-c3ccc(N=C=S)cc3)no2)cc1 28243980 YSNYNHGZLDIFEE-UHFFFAOYSA-N 337.360 4.063 50 1 EIGF CC1=CCC[C@]2(C)O[C@@H]2CCC(C)=C[C@]2(OO)OC(=O)C(C)=C2CC1 2356451378 DVNVQQSZABWHRN-YZGWKJHDSA-N 348.439 4.450 50 1 EIGF CC(C)(F)[C@H](Br)c1nc2cc(F)c(F)c(F)c2[nH]1 587087286 OBEFLEGIVVSZIR-SECBINFHSA-N 325.103 4.164 50 1 EIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(C2(C)CC2)N1 587689113 PRAWSVLELKGQLV-VFZGTOFNSA-N 346.671 4.357 50 1 EIGF CS(=O)(=O)/C=C\c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586928138 YAERRQZKBZNHQY-PLNGDYQASA-N 348.318 4.236 50 1 EIGF C[C@@H](Cl)[C@]1(c2ccc(Cl)cc2)NCCc2nc3ccccn3c21 962981067 DIXRKOIAXKPXJX-KZULUSFZSA-N 346.261 4.004 50 1 EIGF CC(C=CC=C(C)C=CC1=C(C)C(=O)[C@H](O)CC1(C)C)=CC=CC=O 2356456278 XTUFFSHGWCNQDX-HXUWFJFHSA-N 340.463 4.423 50 1 EIGF C=C(CO)[C@@H]1CC[C@@](C)(OO)/C=C\C/C(C)=C/CC/C(C)=C\[C@@H]1O 169309455 HGPWGHBBMMTDTA-QQGQMCHHSA-N 336.472 4.173 50 1 EIGF C=C1CC[C@@H]2O[C@@]2(C)CC[C@@H]2[C@@H]1C[C@@]2(C)C(=O)/C=C/C(C)(C)OO 238781519 CHWBJCXRMPJUJW-SIWFCNECSA-N 334.456 4.310 50 1 EIGF C[C@H](Cl)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587323556 KYSLBNLCCHBISJ-MENVHETRSA-N 334.774 4.276 50 1 EIGF Fc1ccc([C@]23CCC[C@@H](OO[C@@H](C4CCCCC4)OO2)O3)cc1 169371649 OKOXIGMRJRVPFZ-KURKYZTESA-N 338.375 4.322 50 1 EIGF Cc1ccc(/C=C(\C#N)c2nc3ccnc(Br)c3[nH]2)cc1 587187385 FRWIHYHLOPQJKB-XYOKQWHBSA-N 339.196 4.093 50 1 EIGF COc1cc(OC)c(OC)cc1/C=C(\C#N)c1c[nH]c2ccccc12 653759937 DKKCJEVLQJWZSU-RIYZIHGNSA-N 334.375 4.258 50 1 EIGF Cc1ccc(/C=C(/C#N)c2nc3cc(Br)cnc3[nH]2)cc1 587188818 XFMDJWNUBXVRFT-SDQBBNPISA-N 339.196 4.093 50 1 EIGF CC1([C@@H]2OO[C@@H]3[C@H]4CC[C@@H](C4)[C@@]3(c3ccccc3)OO2)CCCC1 253633379 JUVNKQTXBABKMQ-AUCSYDQHSA-N 330.424 4.497 50 1 EIGF C=C[C@H](COC(C)=O)C[C@@H]1C(=C)CC[C@H](Br)C1(C)C 2356683580 AGXPZYPVDGCMPE-ZNMIVQPWSA-N 329.278 4.498 50 1 EIGF C[C@@H](c1ccc(CBr)cc1)c1nc2cc(F)cnc2[nH]1 586974548 XSSTUHUATJTPNN-VIFPVBQESA-N 334.192 4.144 50 1 EIGF C[C@H](OC(=O)CCCC[C@@H](Cl)CCCCCCCl)C(=O)O 1911577035 VVAHVWPREJBZKW-STQMWFEESA-N 341.275 4.360 50 1 EIGF O=C(c1cccc(Cl)c1)c1cc2cc(CCl)ccc2oc1=O 13676445 OLBRSLIKPJPDAG-UHFFFAOYSA-N 333.170 4.416 50 1 EIGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(C)(F)F)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 44146092 MPJSRZRJOSUUDI-OJZDQQLJSA-N 346.414 4.282 50 1 EIGF O=C1[C@@H](Cl)[C@H](c2cc3ccccc3nc2S)N1c1ccccc1 103189160 WYFLWOIJZBNMJY-HOTGVXAUSA-N 340.835 4.219 50 1 EIGF COc1cc2c3c(c1)O[C@@](C)(c1ccc(N=C=S)cc1)[C@@H](C2)C3=O 587449273 BZCMUBMASMCECZ-KXBFYZLASA-N 337.400 4.092 50 1 EIGF C[C@@]1(c2ccc(N=C=O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587509067 XHCIVEFNLVPZLI-NRFANRHFSA-N 333.387 4.413 50 1 EIGF O=C1C[C@@](CCl)(c2ccc(O)cc2)Oc2c1ccc1c2CCCC1 587496743 FEVLFCJQDURCSE-HXUWFJFHSA-N 342.822 4.371 50 1 EIGF C[C@]1(c2ccc(C=O)cc2)CSSC[C@H]2CCC[C@@]3(C2)C[N@]3C1 2356506755 JJVVMZCESNOKAY-NBYUQASBSA-N 347.549 4.396 50 1 EIGF CCCc1c(O)ccc2c1O[C@@H]([C@H](Br)C(C)C)CC2=O 587450061 DDYNIMZIHRJMBU-HUUCEWRRSA-N 341.245 4.098 50 1 EIGF CCCc1c(O)ccc2c1O[C@H]([C@H](Br)C(C)C)CC2=O 587450062 DDYNIMZIHRJMBU-LSDHHAIUSA-N 341.245 4.098 50 1 EIGF COc1ccc(Cl)cc1C#Cc1ccccc1NC(=O)[C@H](C)Cl 587902672 KVPZOEJJHNNFCG-LBPRGKRZSA-N 348.229 4.314 50 1 EIGF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3CC[C@H]4C[C@@]3(C=C4C=O)CC[C@@H]12 2356605033 PFGTZJTYYBLGMJ-LPFVZPDWSA-N 330.468 4.308 50 1 EIGF C=C1CC[C@@H]2O[C@]2(C)CCC2=C(C)C(=O)O[C@@H]2C=C(C)CC[C@H]1OO 2356799024 TWYIJBKQWSDBOO-FTEYMNFISA-N 348.439 4.101 50 1 EIGF COc1cc2c3c(c1)O[C@@]1(C[C@H]4CC[C@]1(CCl)C4(C)C)[C@@H](C2)C3=O 587424369 ZUZCCWWTOZKQJC-FINPGKJESA-N 346.854 4.247 50 1 EIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@H]2Cl)N1 587706880 SFPPLKNVHGATLP-BCQZVRRWSA-N 346.671 4.499 50 1 EIGF COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C=CC=O)cc3CC[C@H]21 2356472589 CDFZXSDJSGQABC-HMXCVIKNSA-N 326.436 4.082 50 1 EIGF CC1(C)C[C@@H](Cl)CN(CCCCN2C[C@H](Cl)CC(C)(C)C2)C1 299860673 GYPZDTPUVGBFRQ-HZPDHXFCSA-N 349.390 4.445 50 1 EIGF CC(C)(C)[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541727 DGJRWGOSNFLMHR-KXBFYZLASA-N 346.810 4.378 50 1 EIGF CC(C)[C@]12C=C3CC[C@H]4[C@@](C)(C(=O)O)CCC[C@]4(C)[C@]3(CC1)OO2 1857761888 OOHFJWCHEFCJDC-AEEMCCEDSA-N 334.456 4.493 50 1 EIGF CC1=C2CC[C@](C)(OO)/C=C/C[C@@]3(C)O[C@@H]3CC/C(C)=C/[C@H]2OC1=O 238770255 PTKZNZZJRAMCOQ-LNDOVTFYSA-N 348.439 4.101 50 1 EIGF N#C/C=C\CCCCN1C(=O)CN=C(c2ccccc2)c2ccccc21 653894793 JTGQZUMIXSEUNS-MBXJOHMKSA-N 343.430 4.121 50 1 EIGF Cc1cc2nc(CCCCBr)[nH]c2cc1Br 586972491 UHKVIHRYWUEZAJ-UHFFFAOYSA-N 346.066 4.351 50 1 EIGF CC[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587324826 AHPNONMVCNESIO-SJLPKXTDSA-N 334.774 4.278 50 1 EIGF N#C/C(=C\c1c[nH]c2cccc([N+](=O)[O-])c12)c1nc2ccccc2[nH]1 73223598 LWPJHQLTVAUVQD-DHZHZOJOSA-N 329.319 4.017 50 1 EIGF COC(C)(C)[C@@H](Br)c1nc2ccc(OC(C)C)cc2[nH]1 586970627 CYTBRVFZDHDIAM-ZDUSSCGKSA-N 341.249 4.211 50 1 EIGF CCc1ccc([C@@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587417324 LKDJCNBYLIUNJD-OXQOHEQNSA-N 342.822 4.139 50 1 EIGF CCC=C(C)C=CCCC[C@]1(OC)C[C@@H](C)[C@H](CC(=O)OC)OO1 2356436462 MMZGNYMATSQASW-ZIFCJYIRSA-N 340.460 4.332 50 1 EIGF C#CC=CC[C@@H]1O[C@H]([C@@H](Br)CC)CC=CC[C@H]1Cl 2356732391 BWALZYVILRSXNY-XGUBFFRZSA-N 331.681 4.451 50 1 EIGF CCOC(=O)c1c(CBr)[nH]c2ccc(F)c(Cl)c12 587628265 QFWGNOZWZXWLTO-UHFFFAOYSA-N 334.572 4.032 50 1 EIGF CC1(C)CCC[C@@]2(C)[C@@H]3CC=C(C=O)C[C@H](CCO)[C@@]3(C=O)CC[C@H]12 2356397899 KEGBEVVGLQFNOV-KAHCOFSNSA-N 346.511 4.332 50 1 EIGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)C1CCC1 587543376 KJRQUEOAYWOIJM-QFBILLFUSA-N 344.794 4.132 50 1 EIGF CC1(C)[C@H](OC(=O)c2ccccc2)CC[C@@]2(C)C[C@@H]3C=C[C@]12OO3 43676843 MURKHDAAWBTEQC-JSJNYSNDSA-N 328.408 4.067 50 1 EIGF COC(=O)[C@]1(C)CCC[C@@]2(C)C3=CC[C@@H]4C[C@]3(C=C4C=O)CC[C@H]12 45393951 QRKYUWHVOPCOQM-UCHKUBCOSA-N 328.452 4.228 50 1 EIGF CCCCOC(=O)O[C@H]1CC[C@]2(C)C[C@@H]3CC[C@@]2(OO3)C1(C)C 105528123 PGXROGJUTKCNEB-LBTBCDHLSA-N 326.433 4.388 50 1 EIGF COc1ccccc1/C=N\NC(=O)c1ccc(-c2ccccc2)cc1 13113568 HIKWIIXFEZIARJ-JCMHNJIXSA-N 330.387 4.126 50 1 EIGF CC1(C)[C@H]2CC3=C4CCSSCC[C@H]([C@@H](CO)C2)[C@@]31CC4=O 85549703 SSAQJHDWYMIVMY-JCTQEILZSA-N 338.538 4.092 50 1 EIGF biogenic,in-vitro C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@H]2Cl)N1 587703139 FVIDULVVPBOGQO-UGQGEIBHSA-N 332.644 4.109 50 1 EIGF C=C(C)[C@H](CCc1c(C)ccc2c1C(=O)C(=O)C(C(C)C)=C2)OO 43300169 MDIONVAGNPGKHX-KRWDZBQOSA-N 328.408 4.167 50 1 EIGF C=C(c1ccc(F)cc1)[C@@H]1COC2(OO1)C1CC3CC(C1)CC2C3 43397049 OTWNNDQEJZRLDD-RPQWGHDGSA-N 330.399 4.338 50 1 EIGF C[C@]1(CCCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587325891 HLSGWHRSPRMAMK-FUHWJXTLSA-N 334.774 4.278 50 1 EIGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)C1CCC1 587543379 KJRQUEOAYWOIJM-VQIMIIECSA-N 344.794 4.132 50 1 EIGF ClCc1[nH]c2c(c(Br)cc3n[nH]cc32)c1CCl 587621276 SVSBGQJOYUIJRK-UHFFFAOYSA-N 333.016 4.284 50 1 EIGF COc1ccc(Cl)cc1C#Cc1csc(C(=O)Cl)c1C 587919096 RULQQRXLGDOKBE-UHFFFAOYSA-N 325.216 4.497 50 1 EIGF CC1(C)[C@H]2CC3=C4CCSSCC[C@H]([C@@H](CO)C2)[C@]31CC4=O 2356753385 SSAQJHDWYMIVMY-LZDVPDMXSA-N 338.538 4.092 50 1 EIGF CCCc1c(O)ccc2c1O[C@@H]([C@@H]1CCCC(C=O)=C1Cl)CC2=O 587463000 UAZHGFQFTQUCSL-WMLDXEAASA-N 348.826 4.170 50 1 EIGF COCCN(C(=O)CCl)C(=C(C)C)c1cccc2ccccc12 103198691 ZQIZWJVHBPSIID-UHFFFAOYSA-N 331.843 4.305 50 1 EIGF O=[N+]([O-])c1ccc2c(CCCl)c(-c3cc(F)ccc3O)[nH]c2c1 587646227 XQYHAZMOOMBARY-UHFFFAOYSA-N 334.734 4.369 50 1 EIGF COc1cc(/C=C\CO)ccc1OC/C=C(\C)C/C=C/C(C)(C)OO 85613430 ZRKYZPSEADYXLE-YXCWWQLDSA-N 348.439 4.240 50 1 EIGF CC(=N)/C(C#N)=C(/O)CSc1nnc(Nc2cccc(C)c2)s1 101466544 FVGULVKGMJHAMD-ZOWTWTJOSA-N 345.453 4.058 50 1 EIGF CCOc1cc(/C(=C/C#N)c2ccc(OC)c(F)c2)ccc1OC 35812557 GAGQVLMOQSRDFQ-OQLLNIDSSA-N 327.355 4.197 50 1 EIGF C=C[C@@](C)(O)CC[C@@H]1[C@]2(C)CC[C@@H](O2)[C@@]1(C)C/C=C/C(C)(C)OO 85932723 MMDGRRLDAOVYIQ-BLSVGMFZSA-N 338.488 4.492 50 1 EIGF COc1ccc(C[C@@H](C#N)/C(C#N)=C/c2ccc(OC)c(OC)c2)cc1 38494150 KGCCITMWQZHGKS-SZLZGVTBSA-N 348.402 4.002 50 1 EIGF in-vitro N#Cc1cc2nc(CCCCBr)[nH]c2cc1C(F)(F)F 586972457 RVPRRHKZYIUBOK-UHFFFAOYSA-N 346.150 4.171 50 1 EIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(C2CCC2)N1 587685922 SBYZXQYNECMXGL-PSLIRLAXSA-N 346.671 4.357 50 1 EIGF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(N=C=O)cc1)CC2=O 587470638 VKNVGCJKGRGMGQ-FQEVSTJZSA-N 337.375 4.193 50 1 EIGF O=C1C[C@](CCl)(c2cscn2)Oc2c1ccc1c2CCCC1 587535752 OCROAIPOHHFUGN-KRWDZBQOSA-N 333.840 4.121 50 1 EIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(C2CCC2)N1 587682264 CASZLTBMCZJKQZ-BJOHPYRUSA-N 346.671 4.357 50 1 EIGF CC(=N)/C(C#N)=C(/O)CSc1nc2ccccc2n1CC(C)C 101569365 DWUKPMCDYHVFND-JKGZZCGVSA-N 328.441 4.160 50 1 EIGF COc1c2ccoc2c(/C=C/C=O)c2oc(-c3ccccc3)cc(=O)c12 169354116 UKIUVCAVTNHSMQ-VMPITWQZSA-N 346.338 4.427 50 1 EIGF CCCCCCSC1=C(C#N)[C@H](c2ccc(F)cc2)NC(=O)N1 299829874 ICMAAZGPGNYFSC-HNNXBMFYSA-N 333.432 4.228 50 1 EIGF CC[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587324822 AHPNONMVCNESIO-AEFFLSMTSA-N 334.774 4.278 50 1 EIGF CC(C)C[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541709 DEUHEYYCFDZTQF-APWZRJJASA-N 346.810 4.378 50 1 EIGF COc1cc2c3c(c1)O[C@](C)(c1ccc(N=C=S)cc1)[C@@H](C2)C3=O 587449268 BZCMUBMASMCECZ-HNAYVOBHSA-N 337.400 4.092 50 1 EIGF COc1cc2c(cc1OC)[C@@H](c1ccc(CCl)o1)N(C)[C@H](C)C2 962617985 CNPJKQQJZZJIIY-ZMZPIMSZSA-N 335.831 4.001 50 1 EIGF Cc1ccc(S(=O)(=O)N2CC[C@@H](Cl)C[C@@H]2c2ccccc2)cc1 28704303 UYABPBHAHLHZID-SJLPKXTDSA-N 349.883 4.128 50 1 EIGF CO[C@]1(C)CC[C@@]2(C[C@@H]1Br)C(C)=CC(=O)CC2(C)C 2356793067 GZUQINXJGNTWHU-NUEKZKHPSA-N 329.278 4.271 50 1 EIGF C[C@@H]1CC[C@@H]2CCO[C@@H]3O[C@@]4(CCc5ccccc5)CC[C@@H]1[C@@]23OO4 169365724 GNMPJEQAJJPREJ-JRAOJMNRSA-N 344.451 4.235 50 1 EIGF CO[C@@H]1C(C=O)=CC[C@@H]2C3=C(C(C)C)CC[C@]3(C)CC[C@@]2(C)[C@H]1O 257399436 CSMSQWRDDWOVOS-QNDFHXLGSA-N 332.484 4.060 50 1 EIGF Cc1cccc(C)c1NC(=O)NN(C(=O)c1ccccc1)C(C)(C)C 382979 JIXVYKWQDXUJDO-UHFFFAOYSA-N 339.439 4.281 50 3 EIGF CCc1ccc([C@@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1 587449780 HEMKMHJENOEJCQ-ACJLOTCBSA-N 348.851 4.201 50 1 EIGF CCC=C(C)C=CCCC[C@]1(OC)CC[C@@H]([C@@H](C)C(=O)O)OO1 2356611771 JTPFZCWDSAHJHT-SOLBZPMBSA-N 326.433 4.243 50 1 EIGF COC(=O)[C@@H](Cl)c1ccc(C#Cc2cc(Cl)ccc2OC)cc1 587905596 AYMXWQPFKDNKMO-KRWDZBQOSA-N 349.213 4.201 50 1 EIGF CC(C)=C1CC[C@@H](C)[C@]2(C[C@@H](c3ccoc3)OC2=O)[C@H]1CCN=C=O 96914155 MOYRHUROTBULRZ-QBMUGXQSSA-N 343.423 4.362 50 1 EIGF CC[C@]1(CCCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587546773 XPTDHCUPGOBDDE-CRAIPNDOSA-N 332.783 4.132 50 1 EIGF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@H](C)[C@]23CCC(=CC=O)O3)C1(C)C 2356552692 YUIOUOHLEHUTMC-LLKJBZILSA-N 348.483 4.423 50 1 EIGF ClCCSc1nnc(COc2ccc(Cl)cc2Cl)o1 73197266 UAXWGPWMAAOCMM-UHFFFAOYSA-N 339.631 4.286 50 1 EIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@@H]2Cl)N1 587704953 LOSRKROZYALTQN-NFMODRRSSA-N 332.644 4.109 50 1 EIGF Fc1ccc([C@@H]2OO[C@@H]3CCC[C@@](c4ccccc4)(OO2)O3)cc1 195272679 VCPFDPUPFBVBAB-KURKYZTESA-N 332.327 4.114 50 1 EIGF C=C(C)[C@H](CC/C(C)=C/COc1cc(O)cc2oc(=O)ccc12)OO 238786783 WUMPJBOGGVGFTH-OIQJVACTSA-N 346.379 4.038 50 1 EIGF Cc1ccc(/C=C(/C#N)c2nc3cc4c(cc3[nH]2)OCCCO4)cc1 587187115 CHKPRXLITCUOPT-DHDCSXOGSA-N 331.375 4.097 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1)([C@@H](C)Cl)O2 587383764 GDIMLZQBBAUEAO-ZMZPIMSZSA-N 333.790 4.204 50 1 EIGF CCCc1c(O)ccc2c1O[C@@H]([C@@H](Br)C(C)C)CC2=O 587450053 DDYNIMZIHRJMBU-CABCVRRESA-N 341.245 4.098 50 1 EIGF CC1=C[C@H](OO)CC(C)=C[C@@H]2OC(=O)C(C)=C2CC[C@]2(C)O[C@H]2CC1 2356802037 QZJBESRVGILFBE-CAIZAGQASA-N 348.439 4.101 50 1 EIGF CC[Si](CC)(CC)OCCN1Sc2ccccc2[S@]1=O 194971145 UWYVCVJKIKJYBZ-LJQANCHMSA-N 329.563 4.054 50 1 EIGF Oc1ccc([C@]2(CCl)c3ccc(F)cc3C[C@H]3CCCN32)cc1 963115892 XTURKDRPPBKOPV-VQIMIIECSA-N 331.818 4.034 50 1 EIGF COc1ccc(COc2ccccc2C2=NO[C@@H](CCl)C2)cc1 13536253 VKCBXAWKAWNCPW-OAHLLOKOSA-N 331.799 4.006 50 1 EIGF O=C1[C@H](Cl)[C@@H](c2cc3ccccc3nc2S)N1c1ccccc1 103189161 WYFLWOIJZBNMJY-HZPDHXFCSA-N 340.835 4.219 50 1 EIGF Cc1ccc(OC(=O)c2cc3cc(CCl)ccc3oc2=O)cc1 13676422 YRDHFEMUUTXNDM-UHFFFAOYSA-N 328.751 4.059 50 1 EIGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc(C)cc1C)[C@@H](C2)C3=O 587417243 KJMOVMNFDAPCHI-OXJNMPFZSA-N 342.822 4.194 50 1 EIGF C=CCC[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587543064 INTJUKDLHJMINC-VQIMIIECSA-N 344.794 4.298 50 1 EIGF C#CC=CC[C@@H]1O[C@H](CC)[C@@H](Br)CC=CC[C@@H]1Cl 2356617938 XNLVYZURWKMAIT-XQLPTFJDSA-N 331.681 4.451 50 1 EIGF CCCc1c(O)ccc2c1O[C@](CCl)(c1oc(C)nc1C)CC2=O 587461243 RKMRGEFAJXRIDM-GOSISDBHSA-N 349.814 4.049 50 1 EIGF C[C@@H](Cl)C(=O)Nc1c(-c2ccccc2)[nH]c2cccc([N+](=O)[O-])c12 587644118 NCJDLSREIONXFD-SNVBAGLBSA-N 343.770 4.309 50 1 EIGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CCl)(c2c(C)noc2C)N1 962946203 KTIMARFEYRNTPC-BFUOFWGJSA-N 343.858 4.179 50 1 EIGF C#CC=CC[C@@H]1O[C@H](CC)[C@@H](Br)CC=CC[C@H]1Cl 2356617939 XNLVYZURWKMAIT-YJNKXOJESA-N 331.681 4.451 50 1 EIGF COC(=O)C[C@]1(C)CC[C@]2(O1)C(C=O)=CC[C@@H]1C(C)(C)CCC[C@]12C 2356663607 OGEKQEVIKZDKAA-RCOXNQKVSA-N 348.483 4.219 50 1 EIGF CCOc1ccc([C@H]2C(C#N)=C(C)NC3=C2C(=O)c2ccccc23)cc1 104116581 QRFCRFMUQQGXMI-IBGZPJMESA-N 342.398 4.177 50 3 EIGF Cc1cc2c(cc1Br)[C@]1(C)CC[C@H](C)[C@]1(COO)O2 85735402 VFUOPUCDCVRIPX-LKTVYLICSA-N 327.218 4.066 50 1 EIGF C#CC=CCC=CC[C@H](Br)[C@@H]1C[C@H](Cl)[C@@H](CC)O1 2356587765 WMHQOEDWBUGVOO-XQLPTFJDSA-N 331.681 4.451 50 1 EIGF C=C(C=O)[C@@H]1CC[C@@]2(C)CCC[C@@](C)(OC(=O)C(F)(F)F)[C@@H]2C1 28469279 SMRVTGNDNFJOGY-RRCSTGOVSA-N 332.362 4.212 50 1 EIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H]2Cl)N1 587703142 FVIDULVVPBOGQO-XPLICSAQSA-N 332.644 4.109 50 1 EIGF C[C@H](Br)[C@@]1(C2CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587500040 PTXCIWYHSFBBHQ-BBATYDOGSA-N 349.268 4.463 50 1 EIGF CC(C)(Cl)[C@H](Br)C[C@@H]1O[C@@]1(C)C=CBr 2356792138 JJAKCZPNSKIAGQ-WEDXCCLWSA-N 346.490 4.224 50 1 EIGF COc1cc2c3c(c1)O[C@](CCCl)(c1ccccc1F)[C@@H](C2)C3=O 587428234 YEQNXAGHDNCROE-IFXJQAMLSA-N 346.785 4.106 50 1 EIGF CC1(C)[C@H]2CC3=C4CCSSCC[C@@H]([C@@H](CO)C2)[C@]31CC4=O 2356753384 SSAQJHDWYMIVMY-LSIMKLPESA-N 338.538 4.092 50 1 EIGF O=C1c2cccc3cccc(c23)C(=O)N1CCCCCCN=C=S 72178026 WYXDJXVRQLTIDE-UHFFFAOYSA-N 338.432 4.099 50 1 EIGF O=C(O)c1cccc2c(CC3CCCC3)c(CBr)[nH]c12 587636992 RVNBMSRJSWDBIU-UHFFFAOYSA-N 336.229 4.494 50 1 EIGF Cc1ccc(-c2csc(NC(=O)NC3CSSC3)n2)cc1 621477859 RBCTXQIVXHZORQ-UHFFFAOYSA-N 337.495 4.004 50 1 EIGF C#CC=CC[C@H](Cl)[C@@H]1CC=CC[C@@H]([C@@H](Br)CC)O1 2356477273 ZAQAXRPCNVAIRN-AJNGGQMLSA-N 331.681 4.451 50 1 EIGF CC1=C[C@H](O)C[C@](C)(O)C=C[C@@H](C(C)C)CC[C@@](C)(OO)C=CC1 2356710394 BZHRGVRKTVGYGR-WCIQWLHISA-N 338.488 4.252 50 1 EIGF N#CC1=C(SCc2ccccc2)NC(=N)[C@@H](C#N)C12CCCCC2 37865603 ADGISHHEEKFDLM-OAHLLOKOSA-N 336.464 4.326 50 1 EIGF Fc1ccc([C@@]23CCC[C@@H](OO[C@@H](c4ccccc4)OO2)O3)cc1 38158869 XROMFUCNXGYBEI-KZNAEPCWSA-N 332.327 4.114 50 1 EIGF COc1ccc([C@H](C#N)CC(C#N)=Cc2ccc(OC)c(OC)c2)cc1 2356782188 DAKHBQGGKOGUDC-SFHVURJKSA-N 348.402 4.317 50 1 EIGF C#C/C=C/C[C@@H]1O/C(=C(\Br)CC)C[C@@H]2O[C@@H]2C[C@@H]1Cl 85980377 IPGHQCSIHTZTOJ-RQFLSKQNSA-N 345.664 4.136 50 1 EIGF C=C1CC[C@@H](C(C)C)/C=C/[C@](C)(O)C[C@@H](O)/C=C(\C)CC[C@@H]1OO 238758120 DKVSLOHNSJTRIQ-KGQOWYEGSA-N 338.488 4.252 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCCl)(c1ccccc1)O2 587375391 MERVIBQBCVSUEF-IBGZPJMESA-N 329.827 4.457 50 1 EIGF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3C[C@@H]4OO[C@]3(C=C4C(C)C)CC[C@@H]21 73404581 NAAKMWGAXDJMGM-IZTFOULLSA-N 348.483 4.437 50 1 EIGF CCOc1cc(/C(=C/C#N)c2ccc(OC)c(OC)c2)ccc1OC 6812 BVTDODKZHFYENY-MHWRWJLKSA-N 339.391 4.066 50 1 EIGF C#C/C=C\C[C@H]1O[C@@H]([C@H](Br)CC)CC=CC[C@H]1Cl 85598718 BWALZYVILRSXNY-FGARJFSKSA-N 331.681 4.451 50 1 EIGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc(C)c(C)c1)[C@@H](C2)C3=O 587416987 HOIXVEMDDLPVLO-OXJNMPFZSA-N 342.822 4.194 50 1 EIGF CC1(C)CCC[C@]2(C)[C@@H]1CC=C(C=O)[C@@]21CC[C@](C)(CC(=O)O)O1 2356737733 ATEDUZJBBLDWGB-XLNTUCKNSA-N 334.456 4.131 50 1 EIGF O=C1CS[C@@H](c2c(Cl)cccc2Cl)N1[C@H]1CC[C@@H]1Cl 40936204 HSJQDFQRYSOTJP-TXMMPKFLSA-N 336.671 4.337 50 1 EIGF C/C(C#N)=C1/CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C 71295124 TXPKEBVGMYWHJR-YFVVKTTOSA-N 341.495 4.409 50 1 EIGF COc1ccc(Cl)cc1C#Cc1cc2c(cc1CCl)OCO2 587908171 VBJDCXHSYGBPJA-UHFFFAOYSA-N 335.186 4.216 50 1 EIGF COc1cc2c3c(c1)O[C@](CCCCl)(c1ccccc1)[C@@H](C2)C3=O 587418884 BJDRFKPFOBKVQC-OXJNMPFZSA-N 342.822 4.357 50 1 EIGF C#C/C=C/C/C=C\C[C@H]1O[C@@H](CC)[C@H](Br)C[C@H]1Cl 140776054 FXXNVLKJOSSFCK-GFTHUQGDSA-N 331.681 4.451 50 1 EIGF COc1ccc(Cl)cc1C#Cc1ccccc1CCC(=O)Cl 587901747 QBVOZMTYFUDYGV-UHFFFAOYSA-N 333.214 4.446 50 1 EIGF CC[C@H](C)CCO[C@@H]1OC(=O)[C@]23C[C@@H]4CC(C)(C)CC4=C(C=O)[C@@]12C3 2356722296 CERWTWXWRVGAAK-ZONZIECTSA-N 346.467 4.034 50 1 EIGF CC(C)=CCC[C@@H](C)[C@@H]1CCC[C@]2(C)CC=C(C=O)[C@@]1(C=O)[C@H]2O 238754171 IVWAHKOUUAMNFT-OBJCFNGXSA-N 332.484 4.251 50 1 EIGF C[C@@H](c1ccc(CBr)cc1)c1nc2ccc(O)cc2[nH]1 586973397 JSDPNIPHAJQFMI-JTQLQIEISA-N 331.213 4.315 50 1 EIGF CC(=O)O[C@@H]1C(C=O)=CCC=C(C)C[C@H](O)[C@H]1[C@@H](C)CCC=C(C)C 2356461674 PFLUUKDRZGYDSO-VRXWPRPYSA-N 348.483 4.143 50 1 EIGF FS(F)(F)(F)(F)c1ccc2nc(C[C@@H]3COCCO3)[nH]c2c1 586910126 MFPHVBAEHOMMRT-MRVPVSSYSA-N 344.305 4.178 50 1 EIGF CC(C)(Cl)[C@@H](Cl)CC[C@@](C)(Cl)C(=O)CBr 1644131 DVCXUKCFXDSRRN-OIBJUYFYSA-N 338.500 4.353 50 1 EIGF CC1(C)C[C@H](Cl)CN(CCCCN2C[C@H](Cl)CC(C)(C)C2)C1 299860674 GYPZDTPUVGBFRQ-IYBDPMFKSA-N 349.390 4.445 50 1 EIGF FC(F)(F)C(F)(F)c1cc2nc([C@@H](Cl)CCl)[nH]c2cn1 587007523 FATKALMBPPFWOT-BYPYZUCNSA-N 334.075 4.131 50 1 EIGF CC1=C(C(F)(F)F)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 58562284 UXJVUURZKJDVTD-KPHNHPKPSA-N 334.334 4.069 50 1 EIGF C[C@]1(CCCBr)CC(=O)c2ccc3c(c2O1)CCCC3 587498595 INMPIGWLYPFRIU-KRWDZBQOSA-N 337.257 4.464 50 1 EIGF CC(C)[C@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587689184 QOBGIRCORMHZIJ-XPTSAGLGSA-N 334.660 4.213 50 1 EIGF CC(C)(C)C1CCC(c2cc(C(=O)NN)nc3ccccc23)CC1 299870711 WUBBDEUFTIYQFC-UHFFFAOYSA-N 325.456 4.158 50 1 EIGF C#CCSC1=C(C#N)[C@@H](c2cccs2)/C(=C(/O)OCC)C(C)=N1 17519946 ZZJJEPAJRUFUJM-YIQZXQSLSA-N 344.461 4.214 50 1 EIGF CC[Si](CC)(CC)OCCN1Sc2ccccc2[S@@]1=O 194971129 UWYVCVJKIKJYBZ-IBGZPJMESA-N 329.563 4.054 50 1 EIGF C=C[C@](C)(O)CCC1=C(C)[C@H](OO)C[C@@H]2C(C)(C)C[C@@H](O)C[C@@]12C 2356459606 SKWLGLDXYGYAGM-NQAGYIRISA-N 338.488 4.085 50 1 EIGF Fc1c(Br)cc2nc([C@H](Cl)CCl)[nH]c2c1F 587008672 QFSUCIMPSPJNPO-SCSAIBSYSA-N 329.959 4.122 50 1 EIGF CN[C@]1(C)CC[C@H]2[C@H]3[C@@H]4[C@@H](C[C@H](C)[C@](C)(N=C=O)[C@@H]4CC[C@H]31)C[C@H]2C 2356857704 SLSPGCWJBGBWCZ-WUWWNGOBSA-N 344.543 4.423 50 1 EIGF COc1ccc([C@@]2([C@@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587373022 PBJZNSADDBKUIY-BLVKFPJESA-N 345.826 4.074 50 1 EIGF C[C@@]1(CCCCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587546959 YZTMTLMWPFTSFN-QAPCUYQASA-N 332.783 4.132 50 1 EIGF CC(C)CN(Cc1ccc(C#N)cc1Cl)C(=O)/C=C/[C@H](C)Cl 103286585 CSRANZXITCXVPA-LVDDQXARSA-N 339.266 4.380 50 1 EIGF C/C(=C/COc1cc(O)cc2oc(=O)ccc12)C/C=C/C(C)(C)OO 238783817 ZJGDUKAUVBWMKG-WNBDFKDDSA-N 346.379 4.038 50 1 EIGF CC1(C)[C@@H](OC(=O)c2ccccc2)CC[C@@]2(C)C[C@@H]3CC[C@]12OO3 195179959 ZGEZBEGUEKLVRK-FVCZOJIISA-N 330.424 4.291 50 1 EIGF C=C1CCC2=C(C)C(=O)O[C@@H]2/C=C(/C)CC[C@H]2O[C@]2(C)CC[C@@H]1OO 238789526 QJIDMGCCWQEXAG-VQMZODKNSA-N 348.439 4.101 50 1 EIGF O=C(CCl)c1c[nH]c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587499619 WKJWNGVGJPZALE-GOSISDBHSA-N 343.810 4.022 50 1 EIGF C=C(C)[C@H](CC/C(C)=C/COc1ccc2ccc(=O)oc2c1)OO 85744280 GFNDGCJFPVJMQB-SHRNQRGKSA-N 330.380 4.333 50 1 EIGF O=C(CCCCl)Nc1cccc(-c2cnc3ccccc3n2)c1 96177999 PRPDRFAGTXCLHG-UHFFFAOYSA-N 325.799 4.254 50 1 EIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCCCl)N1 587686602 VYKRXNZUCDQCIE-LKFCYVNXSA-N 334.660 4.357 50 1 EIGF BrCCCCc1nc2ccc(Br)cc2[nH]1 586972092 GDTQBKWFZIVURT-UHFFFAOYSA-N 332.039 4.043 50 1 EIGF CC1=C(C#N)[C@H](c2ccccc2F)C2=C(c3ccccc3C2=O)N1C 481772 MGNRDWKUOXSPRM-SFHVURJKSA-N 330.362 4.260 50 1 EIGF CC1(C)[C@H](OC(=O)c2ccccc2)CC[C@]2(C)C[C@@H]3CC[C@]12OO3 195179948 ZGEZBEGUEKLVRK-FIYPYCPBSA-N 330.424 4.291 50 1 EIGF COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)ccc1C)[C@@H](C2)C3=O 587418768 VGQQOJNPJFAFLF-JXFKEZNVSA-N 342.822 4.194 50 1 EIGF O=[N+]([O-])c1ccc2c(CCl)c(-c3ccc4c(c3)OCCO4)[nH]c2c1 587644627 IVBAALHTTRUHEX-UHFFFAOYSA-N 344.754 4.253 50 1 EIGF Cc1ccc(/C=C(/C#N)c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1 587186981 ACOFQTNNFJOKGG-DHDCSXOGSA-N 343.365 4.260 50 1 EIGF COC(=O)[C@]1(C)CCC[C@@]2(C)c3ccc(C=CC=O)cc3CC[C@@H]12 2356472588 CDFZXSDJSGQABC-HLAWJBBLSA-N 326.436 4.082 50 1 EIGF O=[S@@](c1ccccc1)c1ccc(N(CCCl)CCCl)cc1 4637785 HABZZOWWXDUDHE-OAQYLSRUSA-N 342.291 4.137 50 1 EIGF COc1ccc(-c2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)o2)cn1 40828443 FAGZYRUMPFFHEG-GXDHUFHOSA-N 342.358 4.291 50 1 EIGF C[C@@H](NC(=O)[C@H](Br)C(C)(C)C)c1ccc(Cl)cc1 103178060 LOGHWBBZMUTRQJ-SKDRFNHKSA-N 332.669 4.327 50 1 EIGF C=C(NC(C)=O)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587202741 HCUFVORFNIVCBS-UHFFFAOYSA-N 327.278 4.327 50 1 EIGF O=CC1=C(Cl)[C@@H]([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CCC1 587499092 LAPVYHILFMYDSI-AEFFLSMTSA-N 344.838 4.391 50 1 EIGF C[C@@]1(c2ccc(C=O)cc2)CSSC[C@H]2CCC[C@@]3(C2)CN3C1 85547909 JJVVMZCESNOKAY-DAABDDCCSA-N 347.549 4.396 50 1 EIGF biogenic,in-vitro CC(C)(C=CC[C@@]1(C)C=Cc2c(ccc3ccc(=O)oc23)O1)OO 2356414407 JYTYDMHUCUHCFK-IBGZPJMESA-N 328.364 4.172 50 1 EIGF CC(=O)[C@@H](Cl)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586986145 OANATKVDHFCHQG-GOSISDBHSA-N 337.762 4.021 50 1 EIGF CC(C)(F)[C@@H](Br)c1nc2cc(C(F)(F)F)ncc2[nH]1 587086576 DLBBKDUKEHKSDK-QMMMGPOBSA-N 340.118 4.161 50 1 EIGF COc1ccc(OC)c(/C=N/NC(=O)Nc2cccc3ccccc23)c1 53313590 GDSWNHYCBZBNNZ-FYJGNVAPSA-N 349.390 4.013 50 1 EIGF CCCc1c(O)ccc2c1O[C@](C)(CCCBr)CC2=O 587456369 NSRCYUZOIPQYEP-MRXNPFEDSA-N 341.245 4.244 50 1 EIGF C=C1CCC2=C(C)C(=O)O[C@@H]2C=C(C)CC[C@@H]2O[C@@]2(C)CC[C@H]1OO 2356552441 QJIDMGCCWQEXAG-XSYGEPLQSA-N 348.439 4.101 50 1 EIGF O=C(NCc1cccc2ccccc12)N/N=C\c1ccc(Cl)cc1 31899399 DPAOTXQZZDJOID-UUYOSTAYSA-N 337.810 4.327 50 1 EIGF COc1ccc2c(/C=C(\C#N)C(=O)c3c[nH]c4ccccc34)c[nH]c2c1 299827174 PATRTTFVDNAKMN-MDWZMJQESA-N 341.370 4.448 50 1 EIGF Cc1ccc(/C=C(/C#N)c2nc3cc(C(F)(F)F)ncc3[nH]2)cc1 587187315 DPVZGUFWQHSILQ-SDQBBNPISA-N 328.297 4.349 50 1 EIGF C=C1CC[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C[C@]2(C)C(=O)C=CC(C)(C)OO 2356434733 CHWBJCXRMPJUJW-FWUZGWGZSA-N 334.456 4.310 50 1 EIGF COc1ccc([C@H](C#N)CC(C#N)=Cc2ccc(OC)c(O)c2)cc1 2356785843 XUWNAELVBLPDOP-KRWDZBQOSA-N 334.375 4.014 50 1 EIGF O=C1C[C@]2(CCC[C@@H]2Br)Oc2c1ccc1c2CCCC1 587495216 CBVOXAFVVLDXFV-RDJZCZTQSA-N 335.241 4.217 50 1 EIGF CCC=C(C)C=CCCC[C@]1(OC)C[C@H](C)[C@H](CC(=O)OC)OO1 2356436459 MMZGNYMATSQASW-JENIJYKNSA-N 340.460 4.332 50 1 EIGF CC[C@H](C)CCO[C@@H]1OC(=O)[C@]23C[C@H]4CC(C)(C)CC4=C(C=O)[C@]12C3 2356722295 CERWTWXWRVGAAK-YULHOKEWSA-N 346.467 4.034 50 1 EIGF COc1ccc([C@]2([C@@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587373025 PBJZNSADDBKUIY-CWTRNNRKSA-N 345.826 4.074 50 1 EIGF COc1ccc(Cl)cc1C#Cc1cc(C)ccc1NC(=O)CCl 587899916 HFRNKEUPMBEWCB-UHFFFAOYSA-N 348.229 4.234 50 1 EIGF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CCl)CCSC(C)=O 963240220 YIZIGESSEGLWDA-KDOFPFPSSA-N 339.932 4.447 50 1 EIGF C=C(C)[C@@H]1C[C@H](O)C(C)=CCCC(=C)[C@H](OO)CC[C@@]2(C)O[C@@H]2C1 2356532779 XRZMOXDNLVHOGQ-USYVTKNRSA-N 336.472 4.412 50 1 EIGF O=C(Nc1cccc(Cl)c1)c1cc2cc(CCl)ccc2oc1=O 13676441 NNYVDEUBKGMMQR-UHFFFAOYSA-N 348.185 4.438 50 1 EIGF CC[C@@H]1OC(=O)CCCCCCC/C=C\[C@H]2[C@H]1C[C@@H](Cl)[C@@H]2O 101676576 HXFOJGYVWJVNOO-RAETWKFMSA-N 328.880 4.213 50 1 EIGF CC(C)[Si](O[C@@]12CC[C@H](C[C@@H]1O)C[C@@H]2CO)(C(C)C)C(C)C 195508223 YONZTXUKJXVFES-XWTMOSNGSA-N 328.569 4.091 50 1 EIGF O=C1C[C@@](CCl)(C(Cl)Cl)Oc2c1ccc1c2CCCC1 587496505 DKOLWMPWRLQHAZ-OAHLLOKOSA-N 333.642 4.312 50 1 EIGF COc1ccc(Cl)cc1C#Cc1cccc(NC(=O)[C@H](C)Cl)c1 587905166 NPDCWHQONABUMG-LBPRGKRZSA-N 348.229 4.314 50 1 EIGF C#C/C=C/C[C@H]1O[C@@H](CC)[C@@H](Br)C/C=C\C[C@H]1Cl 139231235 XNLVYZURWKMAIT-LOKIIBPUSA-N 331.681 4.451 50 1 EIGF COc1cccc2c3c(cnc12)CCN[C@]31[C@H](Cl)CCC1(C)C 963047385 OXPNRFJEPBBGRP-DNVCBOLYSA-N 330.859 4.012 50 1 EIGF C=C[C@](C)(O)CCC1=C(C)[C@H](OO)C[C@@H]2C(C)(C)C[C@@H](O)C[C@]12C 2356459608 SKWLGLDXYGYAGM-ZHVNMTGZSA-N 338.488 4.085 50 1 EIGF CC1=C(C(F)(F)F)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 103184980 UXJVUURZKJDVTD-MOJIGAAESA-N 334.334 4.069 50 1 EIGF C[C@H](c1ccc(CBr)cc1)c1nc2ccc(O)cc2[nH]1 586973398 JSDPNIPHAJQFMI-SNVBAGLBSA-N 331.213 4.315 50 1 EIGF N#C/C(C(=O)Nc1ccc(C(F)(F)F)cc1)=C(/O)c1ccccc1 59034356 FJPNWBWWHMXHCP-PFONDFGASA-N 332.281 4.137 50 1 EIGF COc1nccc2nc([C@@H](C)c3ccc(CBr)cc3)[nH]c12 586973179 GGENUMYYPNINER-JTQLQIEISA-N 346.228 4.013 50 1 EIGF C=C[C@H](COC(C)=O)C[C@H]1C(=C)CC[C@@H](Br)C1(C)C 2356683579 AGXPZYPVDGCMPE-SOUVJXGZSA-N 329.278 4.498 50 1 EIGF CC(C)(/C=C/C[C@@]1(C)CC[C@]2(C)O[C@H]2CC[C@](C)(O)[C@H]2C[C@@H]21)OO 101622132 QVXHUQXNTXETOI-IMMUYQCLSA-N 338.488 4.326 50 1 EIGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(C)(C)C)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 169371359 PIIQBEAIJBJGLJ-GZKPBJDXSA-N 340.460 4.010 50 1 EIGF CC[C@]1(CBr)NCCc2cc(-c3ccccc3)ccc21 962667350 NXURTKURNOBCBV-GOSISDBHSA-N 330.269 4.500 50 1 EIGF C[C@@](Cl)(/C=C/Br)[C@H](Cl)/C=C/C(C=O)=C\Cl 13379402 GKZINEHWKIQNIO-XUTKVCALSA-N 332.452 4.378 50 1 EIGF CC1(C)CCC[C@]2(C)[C@@H](C=Cc3ccoc3)C(C=O)=C(O)C(=O)[C@H]12 2356499856 KUZVESKWERRMKK-QKYXUNIQSA-N 328.408 4.335 50 1 EIGF CC(=CCc1cc2ccc(=O)oc2cc1O)CC=CC(C)(C)OO 2356737120 WGLOVOJJZFJYLA-UHFFFAOYSA-N 330.380 4.202 50 1 EIGF Cc1c(Br)cc2nc(/C=C\CBr)[nH]c2c1C 586972442 RKLCWDLBEDTOMX-ARJAWSKDSA-N 344.050 4.350 50 1 EIGF C=C(C)C(=O)C=C(Cl)[C@](C)(Cl)[C@H](Br)CCl 2356602939 QRDOBLZPGKSKEF-PSASIEDQSA-N 334.468 4.254 50 1 EIGF Cc1cc(Br)c2[nH]c(/C=C\CBr)nc2c1 586972063 DSXWYHSOPMSQNQ-IHWYPQMZSA-N 330.023 4.042 50 1 EIGF CO[C@@H]1OC(=O)C=C1CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=C(C=O)C[C@H]12 1857607074 HCRYUHHUNQNHBK-MRCDGREHSA-N 346.467 4.200 50 1 EIGF CN1[C](Nc2ccccc2)SSC1=Nc1ccc([N+](=O)[O-])cc1 2356816836 RQKAUOHMZXVOBQ-UHFFFAOYSA-N 345.429 4.468 50 1 EIGF Fc1cc2[nH]c(CCCCBr)nc2cc1C(F)(F)F 586972165 JEVXMVRAGZZDFI-UHFFFAOYSA-N 339.130 4.438 50 1 EIGF COc1cc2nc([C@H](Br)C(C)(C)F)[nH]c2cc1Cl 587086647 FUXOXKCCNICNCK-JTQLQIEISA-N 335.604 4.409 50 1 EIGF CC(C)[C@@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587689185 QOBGIRCORMHZIJ-YMTOWFKASA-N 334.660 4.213 50 1 EIGF Fc1ccc([C@H]2OO[C@@H]3CCC[C@](c4ccccc4)(OO2)O3)cc1 38158861 VCPFDPUPFBVBAB-FGTMMUONSA-N 332.327 4.114 50 1 EIGF CC(C)c1csc(C(=O)N/N=C/c2cccc(Cl)c2Cl)n1 45261252 BFRPLTUXZQQZGX-UBKPWBPPSA-N 342.251 4.337 50 1 EIGF COc1cc([C@H]2C(C#N)=C(C)N=C3CC(C)(C)CC(O)=C32)ccc1O 102764352 QPQUMQIGXCPUBG-SFHVURJKSA-N 338.407 4.369 50 1 EIGF COc1nccc2nc([C@H](C)c3ccc(CBr)cc3)[nH]c12 586973181 GGENUMYYPNINER-SNVBAGLBSA-N 346.228 4.013 50 1 EIGF CC(=O)O[C@@H]1C(C=O)=CCC=C(C)C[C@H](O)[C@@H]1[C@H](C)CCC=C(C)C 2356461672 PFLUUKDRZGYDSO-MBPVOVBZSA-N 348.483 4.143 50 1 EIGF CC(=O)O[C@@H]1C[C@H](C)[C@]2(CCC(=CC=O)O2)[C@]2(C)CCCC(C)(C)[C@@H]12 2356759051 DTODGYVUKUZPTH-LLKJBZILSA-N 348.483 4.423 50 1 EIGF O=C(c1ccccc1)c1ccc2nc(/C=C\CBr)[nH]c2c1 586973509 KTOPDCWYCFSZDK-DAXSKMNVSA-N 341.208 4.202 50 1 EIGF COc1ccc(Cl)cc1C#Cc1ccc(C(=O)CCCl)c(N)c1 587903569 JXRYUYQDUPGJNW-UHFFFAOYSA-N 348.229 4.142 50 1 EIGF C=C1OC[C@@H]2O[C@]3(C)CC[C@@H](Br)C(C)(C)[C@@H]3CC=C12 2356409652 OKTAMXLCOFNHEH-TTZDDIAXSA-N 327.262 4.204 50 1 EIGF CCCCCCN1C(=O)/C(=N\NC(=O)CCCCC)c2ccccc21 40847324 UAUZVQNZIGGXQO-QOCHGBHMSA-N 343.471 4.014 50 1 EIGF O=C(CC12CC3CC(CC(C3)C1)C2)N/N=C/c1ccc(Cl)cc1O 49109513 AQZJGVPHFDMVTK-SRZZPIQSSA-N 346.858 4.102 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCCC[C@H]1Br)O2 587371936 IGSYRRLIMOATNC-ZBFHGGJFSA-N 338.245 4.009 50 1 EIGF Cc1cc([C@]2(CCl)NCCc3ccc(F)c(C)c32)c(F)cc1F 962143013 HQGKDKKHWGAMLB-SFHVURJKSA-N 339.788 4.349 50 1 EIGF C[C@H](Cl)[C@]1(c2ccc(Cl)cc2)NCCc2nc3ccccn3c21 962981065 DIXRKOIAXKPXJX-KPZWWZAWSA-N 346.261 4.004 50 1 EIGF O=S(=O)(C[C@@H](Cl)c1ccccc1)c1nc2ccccc2s1 1645290 GXZFYSUCSDSYJF-GFCCVEGCSA-N 337.853 4.050 50 1 EIGF Fc1c(Br)cc2nc([C@@H](Cl)CCl)[nH]c2c1F 587008667 QFSUCIMPSPJNPO-BYPYZUCNSA-N 329.959 4.122 50 1 EIGF C#C/C=C/C[C@@H](Cl)[C@H]1CC=CC[C@@H]([C@@H](Br)CC)O1 137159166 ZAQAXRPCNVAIRN-WHCSDBDNSA-N 331.681 4.451 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccccc1)([C@H](C)Cl)O2 587370818 BXFAVDWGQMCEMA-ORAYPTAESA-N 329.827 4.151 50 1 EIGF CC(C)[Si](O[C@]12CC[C@H](C[C@@H]1O)C[C@@H]2C(=O)O)(C(C)C)C(C)C 195453569 SRCNKDRSZASSMC-DFGXFYAUSA-N 342.552 4.183 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc(C)c(C)c1)O2 587374305 VUBWGASMKDSSLR-LJQANCHMSA-N 329.827 4.294 50 1 EIGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(C#N)=COc2ccccc21 587469984 RJDNXGGMGZEWCT-OAQYLSRUSA-N 347.370 4.005 50 1 EIGF COc1cc2nc([C@@H](Br)C(C)(C)F)[nH]c2cc1Cl 587086648 FUXOXKCCNICNCK-SNVBAGLBSA-N 335.604 4.409 50 1 EIGF COc1ccc(Cl)cc1C#Cc1ccc2nc(CCl)cn2c1 587912438 HUHXRJYYCGMODB-UHFFFAOYSA-N 331.202 4.135 50 1 EIGF CC1=C[C@H](OO)CC(C)=C[C@@H]2OC(=O)C(C)=C2CC[C@@]2(C)O[C@@H]2CC1 2356802039 QZJBESRVGILFBE-WOGUSJMUSA-N 348.439 4.101 50 1 EIGF CC1=C[C@@H]2OC(=O)C(C)=C2CC[C@](C)(OO)C=CC[C@@]2(C)O[C@H]2CC1 2356437362 PTKZNZZJRAMCOQ-RAUXBKROSA-N 348.439 4.101 50 1 EIGF C=C(C)C(=O)C=C(Cl)[C@](C)(Cl)[C@@H](Br)CCl 2356602941 QRDOBLZPGKSKEF-WCBMZHEXSA-N 334.468 4.254 50 1 EIGF COc1cc2c3c(c1)O[C@](C)([C@H](Cl)c1ccccc1)[C@@H](C2)C3=O 587418730 VAXKQWVRGLZIPL-KYNGSXCRSA-N 328.795 4.181 50 1 EIGF CC1(C)CC(=O)[C@H](Cl)[C@@]2(C1)c1c(F)cccc1C[C@H]1CCCN12 963100706 KPLRQTBRXJRGRW-XVGQJIODSA-N 335.850 4.038 50 1 EIGF O=C1CC2(CC(CBr)C2)Oc2c1ccc1c2CCCC1 587499483 NJXMFZMOBJCRTB-UHFFFAOYSA-N 335.241 4.074 50 1 EIGF CC1=CCC[C@]2(C)O[C@H]2CC[C@](C)(OO)C=C2OC(=O)C(C)=C2CC1 2356801941 RVHQUWJWVRJFMS-IHPCNDPISA-N 348.439 4.450 50 1 EIGF CCC[C@H]1[C@@H](OCC)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 195242375 YGWHMWBPLASGSB-YRPRCUQKSA-N 340.460 4.011 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc(Cl)s1)O2 587408700 DCFSOTJLZLXABX-OAHLLOKOSA-N 342.247 4.392 50 1 EIGF COc1cc2c3c(c1)O[C@@](CCl)(c1cccc(Cl)c1)[C@@H](C2)C3=O 587417025 IKNXRGJIZJSDNB-KSSFIOAISA-N 349.213 4.230 50 1 EIGF C[C@H](OC(=O)CCCC[C@H](Cl)CCCCCCCl)C(=O)O 1911577034 VVAHVWPREJBZKW-QWHCGFSZSA-N 341.275 4.360 50 1 EIGF O=c1c(-c2ccccc2)nc(Cl)c(CCl)n1-c1ccccc1 43024944 RUZGLLMDMXFGJA-UHFFFAOYSA-N 331.202 4.292 50 1 EIGF Nc1ccc(Oc2ccc3nc(/C=C\CBr)[nH]c3c2)cc1 586972764 BDKFTKMIERHEMW-UPHRSURJSA-N 344.212 4.346 50 1 EIGF CC=CC=CCCCCC[C@]1(OC)C[C@@H](C)[C@H](CC(=O)O)OO1 2356791172 GMKKZJOYHLHRNP-SOLBZPMBSA-N 326.433 4.243 50 1 EIGF CC(=O)OC=CC(=COC(C)=O)CCC=C(C=O)CCC=C(C)C 2356744392 CWTWXTOOFGPUDG-UHFFFAOYSA-N 334.412 4.162 50 1 EIGF COc1cc([C@H]2C(C#N)=C(C)N=C3CCCC(O)=C32)cc(Cl)c1O 104072768 LCPBGGKPATUMPU-INIZCTEOSA-N 344.798 4.386 50 1 EIGF COc1ccc([C@]2([C@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587373027 PBJZNSADDBKUIY-HXPMCKFVSA-N 345.826 4.074 50 1 EIGF Cc1c(F)ccc2c1[C@](CSC#N)(c1ccccc1Cl)NCC2 962150217 YANOBZHAFIRBSM-SFHVURJKSA-N 346.858 4.391 50 1 EIGF COc1ccc(/C=C(\C#N)c2ccc3c(c2)OCO3)c(Cl)c1OC 653918467 PCPRHVCJPPLDRX-NTUHNPAUSA-N 343.766 4.150 50 1 EIGF CC(C)=CCC/C(C=O)=C/COc1cc(=O)oc2cccc(C)c12 238758568 JSHREDUFRCIMIY-YBEGLDIGSA-N 326.392 4.352 50 1 EIGF COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)([C@@H](C)Cl)[C@@H](C2)C3=O 587416641 BUNPDCHZFKKITD-QROBEVECSA-N 342.822 4.274 50 1 EIGF C[C@@H](Cl)[C@@]1(c2ccc(Cl)cc2)NCCc2nc3ccccn3c21 962981072 DIXRKOIAXKPXJX-XIKOKIGWSA-N 346.261 4.004 50 1 EIGF Fc1ccc([C@H]2OO[C@H]3CCC[C@](c4ccccc4)(OO2)O3)cc1 38158859 VCPFDPUPFBVBAB-OKZBNKHCSA-N 332.327 4.114 50 1 EIGF CC1=C(C#N)[C@H](c2sc3ccccc3c2C)[C@H]2C(=O)CCC[C@H]2N1 73198343 OKWUXTVXQSAJEW-AYOQOUSVSA-N 336.460 4.432 50 1 EIGF CO[C@H]1C(C=O)=CC[C@@H]2C3=C(C(C)C)CC[C@]3(C)CC[C@@]2(C)[C@H]1O 205202200 CSMSQWRDDWOVOS-OBJCFNGXSA-N 332.484 4.060 50 1 EIGF C[C@H](Br)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587009196 WPVUNRNIOCMVMX-QMMMGPOBSA-N 327.185 4.115 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc(F)c(C)c1)O2 587382990 WKMFPWIUIIWWNV-GOSISDBHSA-N 333.790 4.124 50 1 EIGF N#CCOc1ccccc1CP(=O)(c1ccccc1)c1ccccc1 3099861 BJVHBGBOVJNOJM-UHFFFAOYSA-N 347.354 4.103 50 1 EIGF biogenic C#C/C=C/C[C@@H]1O[C@H]([C@H](Br)CC)CC=CC[C@@H]1Cl 85774521 BWALZYVILRSXNY-JTNLEVAFSA-N 331.681 4.451 50 1 EIGF C[C@@]1(CCCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587325893 HLSGWHRSPRMAMK-WMZOPIPTSA-N 334.774 4.278 50 1 EIGF CC(C)(Cl)[C@H](Br)C[C@@H]1O[C@]1(C)C=CBr 2356792135 JJAKCZPNSKIAGQ-KHQFGBGNSA-N 346.490 4.224 50 1 EIGF C=C(c1ccc(OC)cc1)[C@@H]1COC2(OO1)C1CC3CC(C1)CC2C3 43397022 YRYWKXFERQGNSL-FGVUTLJFSA-N 342.435 4.208 50 1 EIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C(Cl)Cl)N1 587687363 GETLGAVSGNSEHD-INWYIAFRSA-N 341.051 4.141 50 1 EIGF O=C(N/N=C/c1cccnc1)Nc1ccccc1Oc1ccccc1 98083782 PHJVZHLTDBQTNU-KGENOOAVSA-N 332.363 4.030 50 1 EIGF CC1=CC(=O)O[C@]12C=C1[C@@](C)(CC[C@@H]3C(C)(C)CCC[C@@]13C)OO2 169490899 KAWXMEVGNNABLE-DMSXTEQDSA-N 332.440 4.459 50 1 EIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C(C)(C)CCl)N1 587685960 SGCWZGZJPSGZMZ-SDBXPKJASA-N 334.660 4.429 50 1 EIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(C2(C)CC2)N1 587686710 DKYUHSVLVFAHGL-RFAUZJTJSA-N 346.671 4.357 50 1 EIGF COc1cc2oc(=O)cc(-c3ccccc3)c2cc1OCCCl 1772657743 FIKAIKOEWDKESZ-UHFFFAOYSA-N 330.767 4.086 50 1 EIGF CC(=O)O[C@@H]1/C(C=O)=C\C/C=C(\C)C[C@@H](O)[C@H]1[C@H](C)CCC=C(C)C 238780411 PFLUUKDRZGYDSO-PQAUDBSASA-N 348.483 4.143 50 1 EIGF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1CCl 587376709 SYLBTJBHNIKVAY-KRWDZBQOSA-N 331.799 4.031 50 1 EIGF C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1[C@@H]1C[C@@H](C=O)C[C@@H](O)OO1 2356667911 VUWOGLPICKGRDI-GZKCFLEVSA-N 336.472 4.029 50 1 EIGF CC[C@H](C)CCO[C@@H]1OC(=O)[C@]23C[C@H]4CC(C)(C)CC4=C(C=O)[C@@]12C3 2356722294 CERWTWXWRVGAAK-OWJBIFJYSA-N 346.467 4.034 50 1 EIGF FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(CBr)nc2c1 586972372 OKDZPRSNGWULFR-UHFFFAOYSA-N 347.056 4.495 50 1 EIGF Cn1ccc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587499510 UIFGPTPKNJPJFF-IBGZPJMESA-N 329.827 4.003 50 1 EIGF COc1ccc(C#Cc2cc(Cl)ccc2OC)c(C(=O)Cl)c1 587901290 YDRFKJSAEYQZIV-UHFFFAOYSA-N 335.186 4.136 50 1 EIGF COc1ccc(Cl)cc1C#Cc1cc(NC(=O)CCl)ccc1C 587901734 PLKIWVRGBPPXGJ-UHFFFAOYSA-N 348.229 4.234 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)([C@H](C)Cl)O2 587383762 GDIMLZQBBAUEAO-BBATYDOGSA-N 333.790 4.204 50 1 EIGF C[C@]1(CCCl)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962642539 URZQEVAGBHYOMQ-CTNGQTDRSA-N 340.898 4.278 50 1 EIGF CC(=CCl)[C@H](Cl)CC(Cl)=C(C)[C@@H](O)CBr 2356649637 SQYDBYIHOGYNDJ-SCZZXKLOSA-N 336.484 4.395 50 1 EIGF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(CO1)[C@@H]2CC/C=C(/C=O)CC=O 49045222 ZMYMOKYVEYEAEH-RQLXMFKESA-N 332.484 4.493 50 1 EIGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C[C@@H]1Cl 587462562 RDNQZWUOOCPPGS-AZUAARDMSA-N 342.822 4.369 50 1 EIGF Cc1ccc([C@@]2([C@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587373557 RIQNCPJOQDQBFY-DJJJIMSYSA-N 329.827 4.374 50 1 EIGF O=C1C[C@](CCl)(c2ccccn2)Oc2c1ccc1c2CCCC1 587498087 LYOBXGVAQNMLJX-IBGZPJMESA-N 327.811 4.060 50 1 EIGF CCC[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587688700 NFIUGAVEGINIFM-YMTOWFKASA-N 334.660 4.357 50 1 EIGF C[C@H](CCl)NCc1ccc2oc3cc(Cl)ccc3c(=O)c2c1 40895657 QXBCULTWINFFLD-SNVBAGLBSA-N 336.218 4.317 50 1 EIGF C[C@H](Cl)C(=O)Nc1c(-c2ccccc2)[nH]c2c(C(=O)O)cccc12 587639272 ZCLZSLPTJHMVCJ-JTQLQIEISA-N 342.782 4.099 50 1 EIGF CC(C)(Cl)[C@H](Cl)CC[C@@](C)(Cl)C(=O)CBr 1644130 DVCXUKCFXDSRRN-GMSGAONNSA-N 338.500 4.353 50 1 EIGF C/C=C(\C)[C@H]1C(C)=C[C@H]2C[C@@H](C)C[C@H]3C(O)=C(C=O)C(=O)[C@]1(C)[C@H]23 1857576521 AHKLFVACLXCZDW-SYSVLBGHSA-N 328.452 4.407 50 1 EIGF Cc1ccc([C@]2(CCCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587370820 BXJZKDBTROBRHN-IBGZPJMESA-N 329.827 4.375 50 1 EIGF C[C@H](Cl)C(=O)Nc1c(-c2ccccc2)[nH]c2cccc([N+](=O)[O-])c12 587644117 NCJDLSREIONXFD-JTQLQIEISA-N 343.770 4.309 50 1 EIGF C#C/C=C\C[C@@H]1O[C@H]([C@@H](Br)CC)CC=CC[C@@H]1Cl 110507976 BWALZYVILRSXNY-OYPVEREDSA-N 331.681 4.451 50 1 EIGF C=C1CC[C@@H]2O[C@]2(C)CCC2=C(C)C(=O)O[C@H]2C=C(C)CC[C@@H]1OO 2356799022 TWYIJBKQWSDBOO-CGBFIWBNSA-N 348.439 4.101 50 1 EIGF CC1=CCC[C@]2(C)O[C@@H]2CC[C@@](C)(OO)C=C2OC(=O)C(C)=C2CC1 2356801942 RVHQUWJWVRJFMS-RLLQIKCJSA-N 348.439 4.450 50 1 EIGF Cc1ccc(C(=O)NN(C(=O)c2ccccc2Cl)C(C)(C)C)cc1 103200376 CDBUBDOIZDUJLX-UHFFFAOYSA-N 344.842 4.234 50 1 EIGF COc1ccc(Cl)cc1C#Cc1ccsc1C(=O)N=C=S 587918895 MSZTVTJIBNANGC-UHFFFAOYSA-N 333.821 4.053 50 1 EIGF C[C@@]1(c2cccs2)CC(c2cccs2)=C(C#N)C(=C(C#N)C#N)N1 1864085 HLKANFKOOWUNDF-SFHVURJKSA-N 348.456 4.297 50 1 EIGF N#CC1=COc2ccccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587507803 SNYCWSCQZVVDPC-JOCHJYFZSA-N 343.382 4.226 50 1 EIGF COC1=C(C)C(=O)[C@@]2(C)[C@@H](C(C)=CCC(C)C)[C@H]3C=C(C)[C@@]2(OO3)O1 2356785444 AFFGFHRAOSKRJK-GJJHYRHESA-N 348.439 4.065 50 1 EIGF COc1ccc2ccccc2c1/C=N/N(C)C(=O)c1ccc(C)cc1 103229988 UTPYFGJBIUUVSB-HYARGMPZSA-N 332.403 4.263 50 1 EIGF COc1ccc(Cl)cc1C#Cc1csc(CBr)n1 587921171 WKDOLAGVHYWAMH-UHFFFAOYSA-N 342.645 4.100 50 1 EIGF CC1(C)[C@@H](Br)C(=O)CC2=C[C@]3(C)CC[C@]21C[C@@H]3Cl 2356306581 OJKFQCDETMADCU-JURCDPSOSA-N 331.681 4.473 50 1 EIGF COc1ccc(-c2cc(=O)c3cc(CCl)ccc3o2)cc1OC 45299638 POOZZXGPMAJTEL-UHFFFAOYSA-N 330.767 4.216 50 1 EIGF COc1cc2c3c(c1)O[C@](C)([C@H](Cl)c1ccc(F)cc1)[C@@H](C2)C3=O 587427923 JZVNLPAMJQOQLB-KYNGSXCRSA-N 346.785 4.321 50 1 EIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(C2CCC2)N1 587682265 CASZLTBMCZJKQZ-PSLIRLAXSA-N 346.671 4.357 50 1 EIGF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1ccccc1CCl 963607011 ISGABXMATXDBGX-BUXKBTBVSA-N 331.843 4.066 50 1 EIGF C#CC=CC[C@H](Cl)[C@@H]1CC=CC[C@H](Br)[C@H](CC)O1 2356529920 WMDYCUMSABQCMS-AJNGGQMLSA-N 331.681 4.451 50 1 EIGF O=C(c1coc2ccccc12)[C@@H](Br)CCBr 587280499 HTUBGYLWWFUORX-JTQLQIEISA-N 346.018 4.164 50 1 EIGF C=C1CC[C@@H]2C(=C(C)C)C(=O)C[C@@]2(C)C[C@H]2O[C@]2(C)CC[C@H]1OO 136670299 YTCAENROIWHALI-ZHVNMTGZSA-N 334.456 4.454 50 1 EIGF C#C/C=C\C[C@@H](Cl)[C@H]1CC=C[C@H](CBr)[C@H](CC)O1 137598874 LSMGDYUAQNGEIV-DJXUQOLASA-N 331.681 4.308 50 1 EIGF CC1([C@@H]2OO[C@@H]3[C@@H]4CC[C@@H](C4)[C@@]3(c3ccccc3)OO2)CCCC1 169313817 JUVNKQTXBABKMQ-DRWJQLDWSA-N 330.424 4.497 50 1 EIGF CSc1ccc([C@]2(CCl)NCCc3ccc(F)c(C)c32)cc1 962148757 UUCIKAGOESKMCC-SFHVURJKSA-N 335.875 4.484 50 1 EIGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C[C@H]1Cl 587462700 RDNQZWUOOCPPGS-UYAOXDASSA-N 342.822 4.369 50 1 EIGF CC[C@]1(CCCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587683988 IUNRYHWITKYUSK-YMTOWFKASA-N 334.660 4.357 50 1 EIGF CC(C)[C@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccc4ccccc4c3)c21 13139111 STGILPZYVPADSY-INIZCTEOSA-N 330.391 4.056 50 3 EIGF O=C(N/N=C\c1ccc(F)cc1)C1=C(Cl)c2ccccc2CCC1 299820544 DAZLLHPSDHTHRV-UUYOSTAYSA-N 342.801 4.262 50 1 EIGF CC1(C)CCC[C@]2(C)[C@H](C=Cc3ccoc3)C(C=O)=C(O)C(=O)[C@H]12 2356499879 KUZVESKWERRMKK-XFQXTVEOSA-N 328.408 4.335 50 1 EIGF c1ccc([C@]23OO[C@@H](C4CCCCC4)OO[C@@H]2[C@H]2CC[C@H]3C2)cc1 253690082 COADCJGMCLNEBK-MVBLQPKNSA-N 330.424 4.497 50 1 EIGF COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]1CC[C@@]13C=C(C=O)[C@@H](CC[C@@H]12)C3 2356605032 PFGTZJTYYBLGMJ-DXMIGZMZSA-N 330.468 4.308 50 1 EIGF C[C@@]1(CCCBr)CC(=O)c2ccc3c(c2O1)CCCC3 587498596 INMPIGWLYPFRIU-QGZVFWFLSA-N 337.257 4.464 50 1 EIGF Cn1ccc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587499511 UIFGPTPKNJPJFF-LJQANCHMSA-N 329.827 4.003 50 1 EIGF N#CC1=C(N)Oc2c(ccc3ccccc23)[C@H]1c1cc(F)cc(F)c1 1857563633 NORBLXFFJZHFSZ-GOSISDBHSA-N 334.325 4.336 50 1 EIGF C#CC=CC[C@@H]1OC(=C(Br)CC)C[C@@H]2O[C@H]2C[C@@H]1Cl 2356498086 IPGHQCSIHTZTOJ-JURCDPSOSA-N 345.664 4.136 50 1 EIGF C=CC=CC=CC=CC=CC=CC=CC[C@H]1C[C@@H](CC(=O)O)OO1 2356524565 JSGYAPYVMBOAFU-OALUTQOASA-N 328.408 4.464 50 1 EIGF C[C@]1(c2ccc(C=O)cc2)CSSC[C@H]2CCC[C@@]3(C2)C[N@@]3C1 2356506754 JJVVMZCESNOKAY-MTFMMBMASA-N 347.549 4.396 50 1 EIGF CC1=CC[C@H](C(C)(C)Cl)O[C@@H]1C(Br)Br 86036128 RHABCRQHZGGHKU-SFYZADRCSA-N 346.490 4.224 50 1 EIGF CC[C@@]1([C@@H](C)Br)CC(=O)c2ccc3c(c2O1)CCCC3 587499587 NRVBWTIABZGTGL-DIFFPNOSSA-N 337.257 4.463 50 1 EIGF CC(=O)O[C@@H]1C[C@H](C)[C@]2(CCC(=CC=O)O2)[C@@]2(C)CCCC(C)(C)[C@@H]12 2356759049 DTODGYVUKUZPTH-GEUHCSIVSA-N 348.483 4.423 50 1 EIGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(C)(F)F)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 169342175 MPJSRZRJOSUUDI-JHPTWALYSA-N 346.414 4.282 50 1 EIGF C#C/C=C/C/C=C\C[C@@H]1O[C@H](CC)[C@@H](Br)C[C@@H]1Cl 238741053 FXXNVLKJOSSFCK-CGSGOSNTSA-N 331.681 4.451 50 1 EIGF Nc1ncnc2c1c(-c1ccccc1)nn2C[C@H](Cl)c1ccccc1 473134805 CYWDPEUCBCKEAM-HNNXBMFYSA-N 349.825 4.056 50 1 EIGF CC1(C)O[C@](C)(C=CCl)[C@H](Br)C[C@@H]1Br 2356505924 UKJVBIAAYSSDNV-QXFUBDJGSA-N 346.490 4.224 50 1 EIGF Nc1ccc(Oc2ccc3nc(/C=C/CBr)[nH]c3c2)cc1 586972763 BDKFTKMIERHEMW-OWOJBTEDSA-N 344.212 4.346 50 1 EIGF CC(=O)O[C@@H]1CCC=C2[C@@]3(C)C=C(C#N)C(=O)C(C)(C)[C@@H]3CC[C@]21C 38388021 MUFPFAKQUPUWEP-IAECCPNBSA-N 341.451 4.120 50 1 EIGF CC(C)[C@H](Br)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587498381 GUBKLIGRKGMWBB-CVEARBPZSA-N 337.257 4.319 50 1 EIGF CC[C@@H]1OC(=O)CCCCCCCC=C[C@@H]2[C@H](O)[C@H](Cl)C[C@@H]12 2356416856 HXFOJGYVWJVNOO-QXUSFIETSA-N 328.880 4.213 50 1 EIGF COC(C)(C)[C@@H](Br)c1nc2ccc(C(C)(C)C)nc2[nH]1 586970840 HVGQNRDSTKWSPX-NSHDSACASA-N 340.265 4.116 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(CBr)c1)O2 587378952 XISIHOFQCWWZNJ-MRXNPFEDSA-N 346.224 4.179 50 1 EIGF COc1cc2c3c(c1)O[C@@](C)(c1cccc(N=C=S)c1)[C@@H](C2)C3=O 587451039 INKBUQQWXVXDDY-KXBFYZLASA-N 337.400 4.092 50 1 EIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C(Cl)Cl)N1 587687747 HPXPZEZSGDBKHJ-SREIQFSDSA-N 341.051 4.141 50 1 EIGF N#C/C(=C\c1cccc(Oc2ccc(Cl)c(Cl)c2)c1)C(N)=O 1857595193 LHYNSZFKRRUJKF-IZZDOVSWSA-N 333.174 4.178 50 1 EIGF COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)([C@@H](C)Cl)[C@@H](C2)C3=O 587426210 AQSKKIYUSQAYGY-XAILHKCVSA-N 346.785 4.105 50 1 EIGF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(N=C=O)cc1)CC2=O 587470639 VKNVGCJKGRGMGQ-HXUWFJFHSA-N 337.375 4.193 50 1 EIGF O=C1C[C@@]2(CCC[C@H]2Br)Oc2c1ccc1c2CCCC1 587495212 CBVOXAFVVLDXFV-NVXWUHKLSA-N 335.241 4.217 50 1 EIGF O=C(CBr)Nc1c(-c2ccccc2)[nH]c2cccc(F)c12 587633017 WFFZMUKQVJHSGG-UHFFFAOYSA-N 347.187 4.307 50 1 EIGF C=C[C@](C)(Cl)[C@@H](Cl)C=CC(C)=CC[C@@H](O)C(=C)CC(=O)O 2356664643 CYRVLPXRQULBHZ-YCPHGPKFSA-N 333.255 4.062 50 1 EIGF COc1cccc(/C(C=O)=C(\Cl)c2ccc(OC)c(OC)c2)c1 1632222 HXCCUGDXENOORV-SDXDJHTJSA-N 332.783 4.018 50 1 EIGF Cc1ccc(/C=C(/C#N)c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1 587187531 IGDFZSCBCWQWEI-SDQBBNPISA-N 339.301 4.257 50 1 EIGF C#C/C=C/C[C@@H](Cl)[C@H]1CC=CC[C@H](Br)[C@@H](CC)O1 223732872 WMDYCUMSABQCMS-RTMYZUMRSA-N 331.681 4.451 50 1 EIGF Cc1cc(Br)cc2nc(/C=C\CBr)[nH]c12 586972558 WQMXGYYSRLASJR-IHWYPQMZSA-N 330.023 4.042 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCCCl)(c1ccccc1)O2 587375392 MERVIBQBCVSUEF-LJQANCHMSA-N 329.827 4.457 50 1 EIGF ClC[C@H](Cl)c1nc2cc(Cl)cc(Br)c2[nH]1 587008285 NBNDDXFAENTMIY-LURJTMIESA-N 328.424 4.498 50 1 EIGF ClCCc1c(CCl)[nH]c2c1c(Br)cc1n[nH]cc12 587621418 FCBPHPFSOVUALU-UHFFFAOYSA-N 347.043 4.327 50 1 EIGF C[C@@H](c1ccc(CBr)cc1)c1nc2ccc(C#N)cc2[nH]1 586973713 NBEJLXIZRQYXBH-NSHDSACASA-N 340.224 4.481 50 1 EIGF COc1cc2c3c(c1)O[C@]1(C[C@H]4CC[C@]1(CCl)C4(C)C)[C@@H](C2)C3=O 587424378 ZUZCCWWTOZKQJC-QTRFMYMGSA-N 346.854 4.247 50 1 EIGF Fc1ccc([C@]23CCC[C@H](OO[C@@H](c4ccccc4)OO2)O3)cc1 138651531 XROMFUCNXGYBEI-KSZLIROESA-N 332.327 4.114 50 1 EIGF Fc1ccc([C@@H]2OO[C@H]3CCC[C@](c4ccccc4)(OO2)O3)cc1 169370703 VCPFDPUPFBVBAB-RCCFBDPRSA-N 332.327 4.114 50 1 EIGF O=C(CCCC[C@@H]1CCSS1)Nc1ccc([N+](=O)[O-])cc1 49784808 XQWSVWBTQXWNSS-CYBMUJFWSA-N 326.443 4.247 50 1 EIGF O=C(CCl)Nc1ccc(C(=O)/C=C/c2ccc(F)c(F)c2)cc1 299864952 SHGOJSNKPGEOSS-KRXBUXKQSA-N 335.737 4.038 50 1 EIGF Cc1nc2[nH]c(/C(C#N)=C\c3ccccc3)nc2cc1Br 587187873 MDNYKNGGUUYSTE-GHXNOFRVSA-N 339.196 4.093 50 1 EIGF C=C(C)[C@H](CCC(C)=CCOc1ccc(C=CCO)cc1OC)OO 2356613337 IEBYVGAYRVEKGY-SFHVURJKSA-N 348.439 4.240 50 1 EIGF C#CC=CCC=CC[C@@H]1O[C@H]([C@@H](Br)CC)C[C@@H]1Cl 2356645747 CUPRGZVKNKNTTN-AJNGGQMLSA-N 331.681 4.451 50 1 EIGF CC1=C[C@H](OO)CC(C)=C[C@@H]2OC(=O)C(C)=C2CC[C@@]2(C)O[C@H]2CC1 2356802038 QZJBESRVGILFBE-TXJVSEOTSA-N 348.439 4.101 50 1 EIGF C[C@H](Cl)C(=O)Nc1c(-c2ccccc2)[nH]c2cc([N+](=O)[O-])ccc12 587643792 JKQDMBAQIROHAT-JTQLQIEISA-N 343.770 4.309 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H]3CC[C@]1(CCl)C3(C)C)O2 587374828 JWIAIFUYBXRLTJ-HQOQDVMHSA-N 333.859 4.346 50 1 EIGF C=CCC[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587543063 INTJUKDLHJMINC-QFBILLFUSA-N 344.794 4.298 50 1 EIGF Oc1ccc(-c2noc(CCCC[C@@H]3CCSS3)n2)cc1O 28823685 GGKFIAVHIDDEHQ-LLVKDONJSA-N 338.454 4.014 50 1 EIGF CC1(C)CCC[C@@]2(C)[C@H]1CC=C(C=O)[C@@]21CC[C@](C)(CC(=O)O)O1 898109 ATEDUZJBBLDWGB-LDTOTXGLSA-N 334.456 4.131 50 1 EIGF biogenic COc1cc2c(cc1OC)C(Cc1ccccc1CCCl)=NCC2 5836272 DWKXCGUOAGNWSW-UHFFFAOYSA-N 343.854 4.073 50 1 EIGF C#CC=CCC=CC[C@H](Br)[C@@H]1C[C@@H](Cl)[C@@H](CC)O1 2356587766 WMHQOEDWBUGVOO-YJNKXOJESA-N 331.681 4.451 50 1 EIGF COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]1CC[C@]13C=C(C(C)C)[C@H](C[C@H]21)OO3 96905598 NAAKMWGAXDJMGM-DHTLZVBUSA-N 348.483 4.437 50 1 EIGF C#C/C=C\C[C@@H]1O[C@H]([C@H](Br)CC)CC=CC[C@@H]1Cl 166377538 BWALZYVILRSXNY-IFDOOESNSA-N 331.681 4.451 50 1 EIGF COc1cc([C@@H]2C(C#N)=C(C)N=C3CC(C)(C)CC(O)=C32)ccc1O 102764355 QPQUMQIGXCPUBG-GOSISDBHSA-N 338.407 4.369 50 1 EIGF BrC/C=C/c1nc2cc3nc4ccccc4nc3cc2[nH]1 586974115 QTNNDKKSJLKLKI-ZZXKWVIFSA-N 339.196 4.067 50 1 EIGF CC(C)[C@@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587688285 KQXXGVFSILUFDN-LKFCYVNXSA-N 334.660 4.213 50 1 EIGF C/C=C/[C@@H]1CC=CC[C@H](Cl)[C@H](C[C@H](O)C=C=CBr)O1 208363944 UAKMIDIJYGIRKO-SITMNWNYSA-N 347.680 4.088 50 1 EIGF Cc1ccc2nc([C@@H](C)c3ccc(CBr)cc3)[nH]c2n1 586974310 VIBLBDWXDGGUSR-NSHDSACASA-N 330.229 4.313 50 1 EIGF Nc1cnc(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)nc1 587252303 BXUFWDQAWLGLCJ-UHFFFAOYSA-N 337.277 4.260 50 1 EIGF COc1ccc([C@]2(CCCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587372993 OSPNZGOMDWZYOH-IBGZPJMESA-N 345.826 4.075 50 1 EIGF Cc1cc2c(cc1F)C1(CCC(CBr)CC1)NCC2 962144387 KJUATYRFZYSQAH-UHFFFAOYSA-N 326.253 4.060 50 1 EIGF C=C1OC[C@@H]2O[C@]3(C)CC[C@@H](Br)C(C)(C)[C@H]3CC=C12 2356409649 OKTAMXLCOFNHEH-DSJMHWKBSA-N 327.262 4.204 50 1 EIGF O=C(CCl)Nc1ccc(C(=O)/C=C/c2cccc(Cl)c2)cc1 299864535 RSCWWFQQLHMCRG-RUDMXATFSA-N 334.202 4.413 50 1 EIGF CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(=O)Cl)cc1)CC2=O 587460556 UAKJDXOWCDYVFT-QGZVFWFLSA-N 344.794 4.430 50 1 EIGF Cc1cncc2nc([C@H](C)c3ccc(CBr)cc3)[nH]c12 586974447 WQPVQZMPMOBWGO-LLVKDONJSA-N 330.229 4.313 50 1 EIGF COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C=CC=O)cc3CC[C@@H]21 2356472587 CDFZXSDJSGQABC-CEWLAPEOSA-N 326.436 4.082 50 1 EIGF NC(=O)N/N=C/c1ccc(Oc2ccc(Oc3ccccc3)cc2)cc1 27324064 ALVHKHHHBBZLJG-HYARGMPZSA-N 347.374 4.273 50 1 EIGF CN(C)c1ccc(/C=N\NC(=O)Nc2cccc3ccccc23)cc1 31870786 LLDLVXDEARUDBL-STZFKDTASA-N 332.407 4.061 50 1 EIGF C/C1=C/CC/C(C=O)=C\CC[C@H](C(=O)O)[C@H]2C[C@@H](CC1)C(C)(C)O2 238746944 QXVKGHACURAACX-OARQGSPZSA-N 334.456 4.297 50 1 EIGF C#CCSC1=C(C#N)[C@H](c2cccs2)/C(=C(/O)OCC)C(C)=N1 17519947 ZZJJEPAJRUFUJM-ARSNJYAISA-N 344.461 4.214 50 1 EIGF CC(C)[Si](O[C@@]12CC[C@@H](C[C@H]1O)C[C@H]2C(=O)O)(C(C)C)C(C)C 254136546 SRCNKDRSZASSMC-KYHPRHEASA-N 342.552 4.183 50 1 EIGF C[C@@](Cl)(C=CBr)[C@H](Cl)C=CC(C=O)=CCl 2356539927 GKZINEHWKIQNIO-NXEZZACHSA-N 332.452 4.378 50 1 EIGF CC(C)C(=O)CC[C@H]1C(C=O)=CC[C@H]2[C@](C)(C(=O)O)CCC[C@]12C 33495866 UCRJIYGYSLKACR-JQERWDHBSA-N 334.456 4.034 50 1 EIGF C[C@H](Cl)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587323554 KYSLBNLCCHBISJ-FEMPBKKVSA-N 334.774 4.276 50 1 EIGF FC(F)(F)C(F)(F)c1cc2nc([C@H](Cl)CCl)[nH]c2cn1 587007524 FATKALMBPPFWOT-SCSAIBSYSA-N 334.075 4.131 50 1 EIGF CCOc1ccc([C@]2(CCl)NCCc3c2sc(C)c3C)cc1 963016678 ZRNGPXZGNYDIOT-SFHVURJKSA-N 335.900 4.392 50 1 EIGF COC1=C(C)C(=O)[C@@]2(C)[C@H](C(C)=CCC(C)C)[C@H]3C=C(C)[C@@]2(OO3)O1 2356785446 AFFGFHRAOSKRJK-SMOSDQRPSA-N 348.439 4.065 50 1 EIGF CCOc1cc(/C(=C\C#N)c2ccc(OC)c(F)c2)ccc1OC 73141939 GAGQVLMOQSRDFQ-DHDCSXOGSA-N 327.355 4.197 50 1 EIGF C[C@H](c1ccc(CBr)cc1)c1nc2cccc(O)c2[nH]1 586973112 FLNAEZRTCCYABG-SNVBAGLBSA-N 331.213 4.315 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCCCl)(c1ccc(O)cc1)O2 587375745 ONIMGXLSEJSOHA-LJQANCHMSA-N 345.826 4.163 50 1 EIGF COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)sc1C)[C@@H](C2)C3=O 587453919 VFOUDUZEPGLVEQ-KSSFIOAISA-N 348.851 4.255 50 1 EIGF N#CSCCCCCN=c1c2c([nH]c3ccccc13)CCCC2 1857753710 CGYJDWIDGOEQQA-UHFFFAOYSA-N 325.481 4.332 50 1 EIGF CN(C)C[C@H](Br)c1ccc(Br)c(Cl)c1 169345654 UGSRDZARUQBJSV-VIFPVBQESA-N 341.474 4.100 50 1 EIGF c1ccc([C@]23OO[C@@H](C4CCCCC4)OO[C@@H]2[C@@H]2CC[C@@H]3C2)cc1 169368509 COADCJGMCLNEBK-RACLHMPKSA-N 330.424 4.497 50 1 EIGF C=C(C)[C@@H](CCC(C)=CCOc1ccc(C=CCO)cc1OC)OO 2356613336 IEBYVGAYRVEKGY-GOSISDBHSA-N 348.439 4.240 50 1 EIGF Fc1ccc([C@@H]2OO[C@@H]3[C@H]4CC[C@@H](C4)[C@@]3(c3ccccc3)OO2)cc1 253633669 LDDQLKCZGVEWLE-VTGOLOIOSA-N 342.366 4.428 50 1 EIGF O=C(c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1)C(Cl)Cl 1857774624 OZXFXHAJTLOTKC-UHFFFAOYSA-N 340.162 4.160 50 1 EIGF COC(=O)[C@]1(C)CCC[C@@]2(C)c3ccc(/C=C/C=O)cc3CC[C@H]12 14409213 CDFZXSDJSGQABC-RSVQGQCZSA-N 326.436 4.082 50 1 EIGF CC/C=C(C)/C=C/CCC[C@@]1(OC)C[C@H](C)[C@@H](CC(=O)O)OO1 85640505 QNOFULCIJFKVRY-TYHSHSJNSA-N 326.433 4.243 50 1 EIGF CC(=C[C@H]1CC(C)=CC(=O)O1)CCC=C(C)C1=CC(=O)C(C)(C)OO1 2356399167 OVUBAOWFQKWCAC-INIZCTEOSA-N 346.423 4.114 50 1 EIGF CC1(C)[C@@H](OC(=O)c2ccccc2)CC[C@]2(C)C[C@H]3C=C[C@]12OO3 195186505 MURKHDAAWBTEQC-GJJHYRHESA-N 328.408 4.067 50 1 EIGF C[C@]1(CCCCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587546956 YZTMTLMWPFTSFN-MAUKXSAKSA-N 332.783 4.132 50 1 EIGF COC(C)(C)[C@@H](Br)c1nc2cc(C)c(Cl)cc2[nH]1 586971306 QVJUNASJTLQHSS-NSHDSACASA-N 331.641 4.386 50 1 EIGF COc1cccc2c3c(cnc12)CCN[C@@]31[C@H](Cl)CCC1(C)C 963047384 OXPNRFJEPBBGRP-BEFAXECRSA-N 330.859 4.012 50 1 EIGF CC1=C(C#N)[C@H](c2ccc(F)cc2F)C(C(=O)OC(C)(C)C)=C(C)N1 62224648 CJMJCYNEEIIMMY-KRWDZBQOSA-N 346.377 4.065 50 1 EIGF COc1ccc(/C=C(\C#N)n2nnc3cc(Cl)c(Cl)cc32)cc1 72122653 WXOKLBFDZCXFQZ-IZZDOVSWSA-N 345.189 4.268 50 1 EIGF CC1=C(C#N)[C@@H](c2ccc3c(c2)OCO3)C2=C(O)CC(C)(C)CC2=N1 104692133 PCIBBXHBVOGGMA-GOSISDBHSA-N 336.391 4.383 50 1 EIGF CC(C)[Si](O[C@@]12CC[C@@H](C[C@H]1O)C[C@@H]2CO)(C(C)C)C(C)C 299816424 YONZTXUKJXVFES-BRSBDYLESA-N 328.569 4.091 50 1 EIGF CC[C@]1(CCCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587546775 XPTDHCUPGOBDDE-MAUKXSAKSA-N 332.783 4.132 50 1 EIGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](CCl)(c2ncccc2C)N1 962949495 FWBTWMLTPMZTBV-XOBRGWDASA-N 339.870 4.278 50 1 EIGF COc1cccc2c3c(cnc12)CCN[C@]31[C@@H](Cl)CCC1(C)C 963047386 OXPNRFJEPBBGRP-HNAYVOBHSA-N 330.859 4.012 50 1 EIGF C#CC=CC[C@@H]1OC(=C(Br)CC)C[C@@H]2O[C@@H]2C[C@H]1Cl 2356498087 IPGHQCSIHTZTOJ-OSRDXIQISA-N 345.664 4.136 50 1 EIGF C[C@@]1(c2ccc(C=O)cc2)CSSC[C@H]2CCC[C@@]3(C2)C[N@@]3C1 2356506752 JJVVMZCESNOKAY-IJXRJRJASA-N 347.549 4.396 50 1 EIGF O=C1OC(=O)c2c1c(-c1ccccc1)cc1[nH]c3ccc(O)cc3c21 34804084 NTXJPDUUOKDBNE-UHFFFAOYSA-N 329.311 4.004 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)CC(CCCCl)(CCCCl)O2 587376110 QCBKMEZSXHQHRK-UHFFFAOYSA-N 330.255 4.319 50 1 EIGF Fc1ccc([C@H]2OO[C@H]3CCC[C@@](c4ccccc4)(OO2)O3)cc1 38158858 VCPFDPUPFBVBAB-BZSNNMDCSA-N 332.327 4.114 50 1 EIGF C=C(CO)[C@@H]1CC[C@](C)(OO)C=CCC(C)=CCCC(C)=C[C@H]1O 2356467854 HGPWGHBBMMTDTA-XUVXKRRUSA-N 336.472 4.173 50 1 EIGF C=C[C@@](C)(O)CC[C@@H]1[C@]2(C)CC[C@@H](O2)[C@@]1(C)CC[C@H](OO)C(=C)C 238757982 CXDOBFGNJSVOKI-GTYQWKCWSA-N 338.488 4.492 50 1 EIGF CC(=CCl)[C@@H](Cl)CC(Cl)=C(C)[C@H](O)CBr 2356649638 SQYDBYIHOGYNDJ-WCBMZHEXSA-N 336.484 4.395 50 1 EIGF CN(C)C[C@@H](Br)c1ccc(Cl)c(Br)c1 169345643 MJUYWRUTTLNBIQ-SECBINFHSA-N 341.474 4.100 50 1 EIGF C/C=C1/C[N@+]2(CCl)CC[C@@]34C(=Nc5ccccc53)/C(=C/O)[C@H]1C[C@@H]42 473123205 LEDRRUMGOZWFIP-ZROTZIQHSA-O 341.862 4.218 50 1 EIGF C=C1CCC2=C(C)C(=O)O[C@@H]2/C=C(\C)CC[C@H]2O[C@]2(C)CC[C@@H]1OO 238770271 QJIDMGCCWQEXAG-SSRFXYBJSA-N 348.439 4.101 50 1 EIGF Cn1cc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)c2ccccc21 299820132 CKXOERSNKRJCJP-GXDHUFHOSA-N 325.371 4.449 50 1 EIGF O=C1C[C@](CBr)(C2CCC2)Oc2c1ccc1c2CCCC1 587498003 FABHDGFAPWYPDB-SFHVURJKSA-N 349.268 4.464 50 1 EIGF O=C(C(Cl)Cl)n1cc(-c2ocnc2Cl)c2ccccc21 103215036 AUAMTECVQTZEEF-UHFFFAOYSA-N 329.570 4.394 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cccc3cc[nH]c13)O2 587372339 KNDIECVWLOCCIJ-IBGZPJMESA-N 340.810 4.158 50 1 EIGF COc1cc2c3c(c1)O[C@](CCCl)(c1ccc(F)cc1)[C@@H](C2)C3=O 587430062 ZMDUPEAUZGKNNX-HNAYVOBHSA-N 346.785 4.106 50 1 EIGF COc1ccc(Cl)cc1C#Cc1cc(SC#N)c(F)cc1N 587915985 ZAEAFOZWYZLUNN-UHFFFAOYSA-N 332.787 4.043 50 1 EIGF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C=O)[C@H](CCO)CC(C=O)=CC[C@@H]12 2356397897 KEGBEVVGLQFNOV-GIGYVVOSSA-N 346.511 4.332 50 1 EIGF CC/C(Cc1ccccc1)=N/NC(=O)c1cccc(Br)c1 1028865 ADUFXBAFOZICCQ-MNDPQUGUSA-N 345.240 4.188 50 3 EIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C(C)(C)CCl)N1 587684751 LZMHYBGWCHZXDK-SDBXPKJASA-N 334.660 4.429 50 1 EIGF C#CC=CC[C@H](Cl)[C@@H]1CC=C[C@H](CBr)[C@H](CC)O1 2356636548 LSMGDYUAQNGEIV-QPSCCSFWSA-N 331.681 4.308 50 1 EIGF CC(C)[Si](O[C@@]12CC[C@@H](C[C@@H]1O)C[C@H]2CO)(C(C)C)C(C)C 299816425 YONZTXUKJXVFES-VSZNYVQBSA-N 328.569 4.091 50 1 EIGF Cc1cc(N(CCCl)CCCl)ccc1C=Cc1ccncn1 1857622526 IJEHJXXZWJAKAU-UHFFFAOYSA-N 336.266 4.239 50 1 EIGF C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1[C@@H]1C[C@@H](C=O)C[C@H](O)OO1 2356667912 VUWOGLPICKGRDI-KLTZCBCKSA-N 336.472 4.029 50 1 EIGF CC[C@]1(CCCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587683985 IUNRYHWITKYUSK-LKFCYVNXSA-N 334.660 4.357 50 1 EIGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](c3ccco3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 14096549 MJQRBLORKZOFAJ-VXKCIIDGSA-N 334.412 4.203 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1c[nH]c3ccccc13)O2 587374683 ZGAMWOBFWOKEGM-LJQANCHMSA-N 340.810 4.158 50 1 EIGF N#C/C(=C\c1ccc(O)c(O)c1)c1nc(-c2ccc(C#N)cc2)cs1 587921766 XXQSJKCUKVCGCL-VIZOYTHASA-N 345.383 4.157 50 1 EIGF O=C1C[C@](CBr)(C2CC2)Oc2c1ccc1c2CCCC1 587498220 GCRROBXBFZTUBB-KRWDZBQOSA-N 335.241 4.074 50 1 EIGF COc1ccc([C@@H](C#N)CC(C#N)=Cc2ccc(OC)c(OC)c2)cc1 2356782187 DAKHBQGGKOGUDC-GOSISDBHSA-N 348.402 4.317 50 1 EIGF CCCCCCCCCCSC[C@H](NC(C)=O)C(=O)CCl 38154220 UYESLTLHMMRMDR-HNNXBMFYSA-N 335.941 4.173 50 1 EIGF CCCc1c(O)ccc2c1O[C@H](c1ccc(C(=O)Cl)cc1)CC2=O 587460555 UAKJDXOWCDYVFT-KRWDZBQOSA-N 344.794 4.430 50 1 EIGF COC(C)(C)[C@@H](Br)c1nc2ccc3nc(C)ccc3c2[nH]1 586970505 BYEVNWUYOKRBLE-AWEZNQCLSA-N 348.244 4.281 50 1 EIGF Cl[C@H]1[C@H](Cl)[C@@H](Cl)C(Cl)(Cl)[C@H](Cl)[C@@H]1Cl 238754349 DWMMFAQCEHVJPE-QFYCRYKCSA-N 325.277 4.211 50 1 EIGF CC(C)(C)[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541724 DGJRWGOSNFLMHR-DNVCBOLYSA-N 346.810 4.378 50 1 EIGF C=CC=CC[C@@H]1O[C@@](Br)(CBr)CC[C@H]1C 2356431881 IFOLTEJQEKCSHN-GRYCIOLGSA-N 338.083 4.420 50 1 EIGF CC(C)(/C=C/C[C@]1(C)C=Cc2c(ccc3ccc(=O)oc23)O1)OO 238745961 JYTYDMHUCUHCFK-OFCRBKOVSA-N 328.364 4.172 50 1 EIGF CC1([C@@H]2OO[C@H]3[C@H]4CC[C@@H](C4)[C@]3(c3ccccc3)OO2)CCCC1 253633380 JUVNKQTXBABKMQ-FABMQREXSA-N 330.424 4.497 50 1 EIGF COc1cc2c3c(c1)O[C@](CCl)(c1cccc(Cl)c1)[C@@H](C2)C3=O 587417024 IKNXRGJIZJSDNB-KBXCAEBGSA-N 349.213 4.230 50 1 EIGF CC(C)(F)[C@H](Br)c1nc2cc(C(F)(F)F)cnc2[nH]1 587087029 LCZPANVAAQMRHB-SSDOTTSWSA-N 340.118 4.161 50 1 EIGF CCOC(=O)Cc1ccc2nc(/C(C#N)=C/c3ccc(C)cc3)[nH]c2c1 587189031 ZKFMPZBNCVUVAJ-LICLKQGHSA-N 345.402 4.041 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)CC1(O2)[C@H](Cl)CCCCC[C@H]1Cl 587383636 ZHJGLWOUMYFHKQ-HUUCEWRRSA-N 342.266 4.460 50 1 EIGF CCc1ccc([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)s1 587411313 SFJCSNVLUOWVKQ-KRWDZBQOSA-N 335.856 4.301 50 1 EIGF CS(=O)(=O)c1ccc2[nH]c(-c3ccccc3)c(CCCl)c2c1 587648767 HIKSCLNWUARKJT-UHFFFAOYSA-N 333.840 4.020 50 1 EIGF C#CC=CC[C@H](Cl)[C@@H]1CC=CC[C@@H]([C@H](Br)CC)O1 2356477275 ZAQAXRPCNVAIRN-QPSCCSFWSA-N 331.681 4.451 50 1 EIGF O=c1c2ccc(Cl)cc2ncn1CCCCCCBr 473123246 UPGFPUZMZSXJPS-UHFFFAOYSA-N 343.652 4.005 50 1 EIGF CC(=O)Oc1ccc(-c2c(CCl)[nH]c3cccc([N+](=O)[O-])c23)cc1 587644141 NXOGFHQOFNIZLP-UHFFFAOYSA-N 344.754 4.407 50 1 EIGF COC(=O)C[C@]1(C)CC[C@]2(O1)C(C=O)=CC[C@H]1C(C)(C)CCC[C@]12C 2356663605 OGEKQEVIKZDKAA-DVWBAYGPSA-N 348.483 4.219 50 1 EIGF COc1ccc([C@@H](C#N)CC(C#N)=Cc2ccc(OC)c(O)c2)cc1 2356785844 XUWNAELVBLPDOP-QGZVFWFLSA-N 334.375 4.014 50 1 EIGF COc1ccc(-c2[nH]c3ccc(OC)cc3c2C=C(C#N)C#N)cc1 40592749 QFOWLDPQDYHOIU-UHFFFAOYSA-N 329.359 4.283 50 1 EIGF Cc1ccc(/C=C(\C#N)c2nc3ccc(Br)nc3[nH]2)cc1 587188828 XHOCXXNWQJKWDT-XYOKQWHBSA-N 339.196 4.093 50 1 EIGF COc1cc2c3c(c1)O[C@@](C(Cl)Cl)(C(C)(C)C)[C@@H](C2)C3=O 587417110 JGWPBJUWUUOALB-QFYYESIMSA-N 329.223 4.031 50 1 EIGF C=C1CC=CC(C)(C)[C@@]12C[C@H](Br)[C@](C)(Cl)C[C@@H]2O 238743877 QSMNBYDYMWRZTN-VIRABCJISA-N 333.697 4.431 50 1 EIGF COc1ccc(Cl)cc1C#Cc1ccc(NC(=O)CCl)cc1C 587899915 HEFLDUAXVSTJGL-UHFFFAOYSA-N 348.229 4.234 50 1 EIGF CC(C)(C=CC[C@]1(C)CC[C@]2(C)O[C@@H]2CC[C@](C)(O)[C@@H]2C[C@@H]21)OO 2356753088 QVXHUQXNTXETOI-JADWYGHVSA-N 338.488 4.326 50 1 EIGF CC=CCCCCCCC[C@]1(OC)C[C@@H](C)[C@H](CC(=O)O)OO1 2356796751 NMUUFKMOHJKZAU-SOLBZPMBSA-N 328.449 4.467 50 1 EIGF CCCCNc1ncnc2c1cnn2C[C@H](Cl)c1ccccc1 40900371 OWQSKFMEYPTYKI-HNNXBMFYSA-N 329.835 4.018 50 1 EIGF COc1cc(/C(C#N)=C/c2c[nH]c3ccccc23)cc(OC)c1OC 169599259 GSOMPNUIHGDPOV-RIYZIHGNSA-N 334.375 4.258 50 1 EIGF CC(C)Oc1cc2nc(CBr)[nH]c2cc1Br 586970784 GSYTUPZGMKAAME-UHFFFAOYSA-N 348.038 4.008 50 1 EIGF CC(C)(F)[C@@H](Br)c1nc2cc(C#N)cc(Cl)c2[nH]1 587087875 XRTFDIVASXTFRG-JTQLQIEISA-N 330.588 4.272 50 1 EIGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc(F)c(C)c1)[C@@H](C2)C3=O 587423983 MQBMEZSZJVONOR-IFXJQAMLSA-N 346.785 4.024 50 1 EIGF CC1(C)[C@@H](Br)[C@@H](O)C=C2C[C@]3(C)CC[C@@]21C[C@@H]3Cl 140461927 QBMHJWIXERTJQL-ZCRGAIPPSA-N 333.697 4.265 50 1 EIGF C/C=C1/C[N@@+]2(CCl)CC[C@@]34C(=Nc5ccccc53)/C(=C/O)[C@H]1C[C@@H]42 473123202 LEDRRUMGOZWFIP-ZFGYNRDFSA-O 341.862 4.218 50 1 EIGF CC(C)CC(CC(C)C)=NO[P@@](N)(=O)NCCC(Cl)Cl 29470615 VDFFMZLOWJQRIR-HXUWFJFHSA-N 346.239 4.301 50 1 EIGF CCC[C@H]1[C@@H](OCC)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]24OO3 43328151 YGWHMWBPLASGSB-JDXRWTKOSA-N 340.460 4.011 50 1 EIGF CCC[C@H]1[C@@H](OCC)O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 169340479 YGWHMWBPLASGSB-WLLVXSAASA-N 340.460 4.011 50 1 EIGF CCOc1ccc([C@@]2(CCl)NCCc3c2sc(C)c3C)cc1 963016669 ZRNGPXZGNYDIOT-GOSISDBHSA-N 335.900 4.392 50 1 EIGF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H](C)[C@]23CC/C(=C\C=O)O3)C1(C)C 45337499 YUIOUOHLEHUTMC-CXDIRSQKSA-N 348.483 4.423 50 1 EIGF C/C1=C\[C@H](O)C[C@](C)(O)/C=C/[C@H](C(C)C)CC[C@@](C)(OO)/C=C/C1 238755023 BZHRGVRKTVGYGR-WPITZFKISA-N 338.488 4.252 50 1 EIGF Cc1ccc(/C=C(\C#N)c2nc3c(Br)cncc3[nH]2)cc1 587187011 AMKSDRKETITSNX-WUXMJOGZSA-N 339.196 4.093 50 1 EIGF Fc1ccc2[nH]c(CCl)c(-n3nnc4ccccc43)c2c1Cl 587627867 BXVWOXDESTWSLF-UHFFFAOYSA-N 335.169 4.433 50 1 EIGF CC[C@]1([C@@H](C)Br)CC(=O)c2ccc3c(c2O1)CCCC3 587499591 NRVBWTIABZGTGL-PIGZYNQJSA-N 337.257 4.463 50 1 EIGF C[C@@H](Cl)C(=O)Nc1c(-c2ccccc2)[nH]c2cc([N+](=O)[O-])ccc12 587643817 JKQDMBAQIROHAT-SNVBAGLBSA-N 343.770 4.309 50 1 EIGF CC(C)(C)O[C@@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H]1Cl 587497986 HSRQPPCLJJNWOS-KPFFTGBYSA-N 348.870 4.464 50 1 EIGF C#CC=CC[C@@H]1O[C@H]([C@H](Br)CC)CC=CC[C@@H]1Cl 2356732390 BWALZYVILRSXNY-QPSCCSFWSA-N 331.681 4.451 50 1 EIGF CC(C)(C)O/C=C1/C(=O)O[C@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]12 195516426 NZOSXMAUPPFBKC-QRMCJDJFSA-N 340.536 4.411 50 1 EIGF C=C1OC[C@@H]2O[C@]3(C)CC[C@H](Br)C(C)(C)[C@H]3CC=C12 2356409650 OKTAMXLCOFNHEH-KNCOVGOOSA-N 327.262 4.204 50 1 EIGF CC(C)=CCCC(C=O)=CCCC(=CCCC(C)=CCO)C(=O)O 2356688388 YRJMPHBGWVIBMB-UHFFFAOYSA-N 334.456 4.368 50 1 EIGF O=c1c2ccc(OCCCCCl)cc2[nH]c2cc(F)cc(F)c12 1857600669 DDKVFAPZYVBQDJ-UHFFFAOYSA-N 337.753 4.357 50 1 EIGF CO[C@@H]1C(=O)[C@]2(C)CC[C@@]3(C)CCC(C(C)C)=C3[C@H]2CC=C1C=O 2356324990 MHJIISMBXWZQGF-XRULBBBTSA-N 330.468 4.269 50 1 EIGF CN1CCC(OC2=Nc3ccccc3/C(=C/C#N)c3ccccc32)CC1 40656056 MRGFAIDGPBVWMR-VCHYOVAHSA-N 343.430 4.144 50 1 EIGF O=C(N/N=C\c1ccc(Cl)cc1)c1cc2c(cn1)[nH]c1ccccc12 103185184 NDPORRSOWSUOLB-YVNNLAQVSA-N 348.793 4.133 50 1 EIGF CC1([C@H]2OO[C@@H]3[C@@H]4CC[C@@H](C4)[C@@]3(c3ccccc3)OO2)CCCC1 169313818 JUVNKQTXBABKMQ-LZRWSTQFSA-N 330.424 4.497 50 1 EIGF CC1=C[C@@H]2OC(=O)C(C)=C2CC[C@](C)(OO)C=CC[C@]2(C)O[C@H]2CC1 2356437363 PTKZNZZJRAMCOQ-XEYPJELSSA-N 348.439 4.101 50 1 EIGF COc1ccc(Cl)cc1C#Cc1cccc(CC(=O)CCl)c1 587904262 GVVVDGRJIKLCSL-UHFFFAOYSA-N 333.214 4.099 50 1 EIGF CCCCC1=C(C(=O)OC)[C@@H](c2ccccc2Cl)C(C#N)=C(C)N1 58581453 BUUOLGKPFRELSS-KRWDZBQOSA-N 344.842 4.442 50 1 EIGF N#C/C(=C\c1ccccc1)c1nc2ccc(Br)c(O)c2[nH]1 587187158 DHSLGGZRVLEKMH-DHZHZOJOSA-N 340.180 4.095 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCCl)(c1ccccc1F)O2 587384135 AYYHYKOWXLKWQM-GOSISDBHSA-N 333.790 4.206 50 1 EIGF CC(C)(C)O[C@@H]1C[C@]2(c3ccc(F)cc3C[C@@H]3CCCN32)[C@H]1Cl 963117245 XZICMSNTSMDOKU-RUENVJTFSA-N 337.866 4.236 50 1 EIGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCC[C@@H]2Cl 587545793 HOYSVPZKSIMNEE-TXPKVOOTSA-N 344.794 4.274 50 1 EIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(C2(C)CC2)N1 587689110 PRAWSVLELKGQLV-BJOHPYRUSA-N 346.671 4.357 50 1 EIGF COC(=O)CCCCCCC(=O)N/N=C/C[C@H](C)CCC=C(C)C 95808705 XHMIYRAORCNXFQ-FABDANFUSA-N 338.492 4.375 50 1 EIGF O=C(Nc1cccc(-c2cnc3ccccc3n2)c1)C(Cl)Cl 96178004 GCWQNTFVSFUHNG-UHFFFAOYSA-N 332.190 4.039 50 1 EIGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(F)c(C)c1)[C@@H](C2)C3=O 587423984 MQBMEZSZJVONOR-LIRRHRJNSA-N 346.785 4.024 50 1 EIGF CC1(C)[C@H](OC(=O)c2ccccc2)CC[C@@]2(C)C[C@@H]3CC[C@@]12OO3 101191891 ZGEZBEGUEKLVRK-ACZWYYKOSA-N 330.424 4.291 50 1 EIGF CCC[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541256 AFYMZYXKMAXWKQ-MAUKXSAKSA-N 332.783 4.132 50 1 EIGF COc1cc(CCl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 28871035 MEDZMDYQQHEMAX-UHFFFAOYSA-N 338.703 4.043 50 1 EIGF CC/C=C(C)/C=C/CCC[C@]1(OC)C[C@H](C)[C@H](CC(=O)O)OO1 86025662 QNOFULCIJFKVRY-OOIJTMEYSA-N 326.433 4.243 50 1 EIGF CCCc1c(O)ccc2c1O[C@@H](c1cc(CCl)ccc1O)CC2=O 587458620 CPYHSAHLEGHHAA-GOSISDBHSA-N 346.810 4.496 50 1 EIGF Cc1sc2c(c1C)CCN[C@]2(CCl)c1ccc2c(c1)CCC2 963019500 HQOBSXAIKSOQQK-LJQANCHMSA-N 331.912 4.482 50 1 EIGF C#CC=CCC=CC[C@@H]1O[C@H]([C@H](Br)CC)C[C@H]1Cl 2356645748 CUPRGZVKNKNTTN-KBXIAJHMSA-N 331.681 4.451 50 1 EIGF CC(C)(C)c1ccc(C(=O)Nc2nc(CN=C=S)cs2)cc1 27216746 IDMJRUVVJWCWGM-UHFFFAOYSA-N 331.466 4.296 50 1 EIGF c1ccc([C@@]23OO[C@H](C4CCCCC4)OO[C@@H]2[C@@H]2CC[C@@H]3C2)cc1 169368511 COADCJGMCLNEBK-RUGGUXRKSA-N 330.424 4.497 50 1 EIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C(C)(C)CCl)N1 587684748 LZMHYBGWCHZXDK-AMIZOPFISA-N 334.660 4.429 50 1 EIGF Clc1cc2nc(NCCBr)sc2cc1Cl 98083452 FZHXEYYKAWHJGF-UHFFFAOYSA-N 326.046 4.410 50 1 EIGF CC(C)C(C=O)=CC[C@@H]1C(=O)CC[C@@H]2[C@](C)(C(=O)O)CCC[C@@]12C 2356381136 AZDNKBZTUMFXFL-DJABAAGCSA-N 334.456 4.034 50 1 EIGF C#C/C=C\C[C@@H]1O[C@@H](CC)[C@H](Br)C/C=C\C[C@@H]1Cl 86050451 XNLVYZURWKMAIT-FBMKLUCASA-N 331.681 4.451 50 1 EIGF Cc1cccc2c1N(CCCCI)C=S2C 96922542 YKTLFGMPFNQBIC-UHFFFAOYSA-N 347.265 4.048 50 1 EIGF O=C(CCl)Nc1ccc(C(=O)/C=C/c2ccccc2Cl)cc1 299862540 NIOIHICATHIPPV-JXMROGBWSA-N 334.202 4.413 50 1 EIGF CCO/C=C(\C#N)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587103331 FLZKJGDHVCBDEE-OUKQBFOZSA-N 326.355 4.347 50 1 EIGF CN(/N=N/c1ccc(C#N)cc1)C(=O)CCCCc1ccc(O)cc1 1772620399 NKCWTGBNZVSHBH-QURGRASLSA-N 336.395 4.134 50 1 EIGF Fc1ccc([C@H]2OO[C@@H]3CCC[C@@](c4ccccc4)(OO2)O3)cc1 38158860 VCPFDPUPFBVBAB-SQNIBIBYSA-N 332.327 4.114 50 1 EIGF CC[C@]1(CCCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587683967 IPSJUVPCFJUYRZ-YMTOWFKASA-N 334.660 4.357 50 1 EIGF COc1ccc(Cl)cc1C#Cc1ccsc1C(=O)CCl 587918644 BWBCLOKZLWHPMB-UHFFFAOYSA-N 325.216 4.231 50 1 EIGF N#CC1=C(N)Oc2ccc3ccccc3c2[C@H]1n1ccc2ccccc21 40752532 ZRWFBOJUKJIRGU-NRFANRHFSA-N 337.382 4.470 50 1 EIGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](OC(C)(C)C)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]32OO4 195297345 PIIQBEAIJBJGLJ-YDJOUJDNSA-N 340.460 4.010 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc(Cl)s1)O2 587408698 DCFSOTJLZLXABX-HNNXBMFYSA-N 342.247 4.392 50 1 EIGF CCc1ccc([C@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587417327 LKDJCNBYLIUNJD-UZLBHIALSA-N 342.822 4.139 50 1 EIGF COc1ccc(Cl)cc1C#Cc1ccccc1CC(=O)CCl 587901681 NANOBYSWIOOWQE-UHFFFAOYSA-N 333.214 4.099 50 1 EIGF CC(C)[Si](O[C@]12CC[C@H](C[C@@H]1O)C[C@@H]2CO)(C(C)C)C(C)C 195508226 YONZTXUKJXVFES-MHORFTMASA-N 328.569 4.091 50 1 EIGF COc1ccc2[nH]cc(/C=C(\C#N)C(=O)c3c[nH]c4ccccc34)c2c1 299822388 IJQMDJGDASOFST-MDWZMJQESA-N 341.370 4.448 50 1 EIGF CC(C=CC=O)=C1C(=O)C[C@@H]2[C@]1(C)CC[C@H]1C(C)(C)C(=O)CC[C@@]21C 2356802633 SMOCCDQLCDXRAO-QPAOKJHLSA-N 342.479 4.459 50 1 EIGF C[C@]12CC(=O)[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC/C2=C\C#N 71281203 VFWOXQNFPHOBLO-NDEKYREMSA-N 327.468 4.019 50 1 EIGF CC1=C(C#N)[C@H](c2sc3ccccc3c2C)[C@H]2C(=O)CCC[C@@H]2N1 254156378 OKWUXTVXQSAJEW-ZYSHUDEJSA-N 336.460 4.432 50 1 EIGF CCC[C@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587688378 MBCNVUPQCMNKPD-LKFCYVNXSA-N 334.660 4.357 50 1 EIGF CC1=C[C@H]2OO[C@@H]1C[C@]1(C)CC[C@@]3(C(=O)O)[C@@H](CC[C@@H]3C(C)C)[C@H]21 141375606 DZRRDUPSIKHAKM-PZEIRFODSA-N 334.456 4.205 50 1 EIGF CC(C)(CO)[C@@H](O)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586900584 HCXOBABPXRXYPP-JTQLQIEISA-N 346.321 4.272 50 1 EIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C(C)(C)CCl)N1 587685951 SGCWZGZJPSGZMZ-AMIZOPFISA-N 334.660 4.429 50 1 EIGF C[C@H](Br)c1nc2c3cccnc3c3ncccc3c2[nH]1 587009009 RAFKLKFHIJNEGZ-QMMMGPOBSA-N 327.185 4.115 50 1 EIGF Cc1ccc2nc([C@H](C)c3ccc(CBr)cc3)[nH]c2n1 586974308 VIBLBDWXDGGUSR-LLVKDONJSA-N 330.229 4.313 50 1 EIGF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3CC[C@H]4C[C@@]3(C=C4C=O)CC[C@H]12 2356605034 PFGTZJTYYBLGMJ-ULJRTVLZSA-N 330.468 4.308 50 1 EIGF O=C(CCc1ccc(Cl)cc1)NNc1c(Cl)cncc1Cl 84654050 OYRKPMKXFAGLSA-UHFFFAOYSA-N 344.629 4.118 50 1 EIGF CC1=C(C#N)[C@H](c2sc3ccccc3c2C)[C@@H]2C(=O)CCC[C@@H]2N1 254156377 OKWUXTVXQSAJEW-SNRMKQJTSA-N 336.460 4.432 50 1 EIGF C[C@@H]1CC[C@H](CCl)N1c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1 14968220 KROLVKONLQIYIJ-MWLCHTKSSA-N 344.764 4.143 50 1 EIGF CC(=O)[C@H](Cl)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586986146 OANATKVDHFCHQG-SFHVURJKSA-N 337.762 4.021 50 1 EIGF C=CC=CC[C@@H]1O[C@](Br)(CBr)CC[C@@H]1C 2356431883 IFOLTEJQEKCSHN-SRVKXCTJSA-N 338.083 4.420 50 1 EIGF O=C(O)c1ccccc1Nc1cc(Cl)c(OOO)c(Cl)c1 14881299 SNAMTVTZDPUVRA-UHFFFAOYSA-N 330.123 4.219 50 1 EIGF in-vivo COc1ccc([C@@]2([C@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587373024 PBJZNSADDBKUIY-BUXKBTBVSA-N 345.826 4.074 50 1 EIGF COc1cc2c3c(c1)O[C@@](CCCl)(c1ccc(F)cc1)[C@@H](C2)C3=O 587430063 ZMDUPEAUZGKNNX-KXBFYZLASA-N 346.785 4.106 50 1 EIGF O=[N+]([O-])c1cccc2[nH]c(-c3ccc4c(c3)OCCO4)c(CCl)c12 587644763 MYNZPLCAFJIWDN-UHFFFAOYSA-N 344.754 4.253 50 1 EIGF C=C[C@](C)(Cl)[C@H](Cl)C=CC(C)=CC[C@@H](O)C(=C)CC(=O)O 2356664641 CYRVLPXRQULBHZ-FMKPAKJESA-N 333.255 4.062 50 1 EIGF CC1=CCC[C@]2(C)O[C@@H]2CC[C@](C)(OO)C=C2OC(=O)C(C)=C2CC1 2356801940 RVHQUWJWVRJFMS-HOJAQTOUSA-N 348.439 4.450 50 1 EIGF Cn1c2c(c3ccccc31)[C@H]1CCCCCC[C@H]1[C@@H]1C(=O)OC(=O)[C@H]21 195506222 PLPKUGCPCLWSFX-GGNLRSJOSA-N 337.419 4.029 50 1 EIGF C[C@](Cl)(C=CBr)[C@H](Cl)C=CC(C=O)=CCl 2356539930 GKZINEHWKIQNIO-ZJUUUORDSA-N 332.452 4.378 50 1 EIGF FS(F)(F)(F)(F)c1ccc2nc(C[C@H]3COCCO3)[nH]c2c1 586910135 MFPHVBAEHOMMRT-QMMMGPOBSA-N 344.305 4.178 50 1 EIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@H]2Cl)N1 587707264 VCHFUVSZIFJOFY-DFKRKDTASA-N 346.671 4.499 50 1 EIGF C=C(C)[C@@H]1C[C@H](O)C(C)=CCCC(=C)[C@H](OO)CC[C@]2(C)O[C@H]2C1 2356532777 XRZMOXDNLVHOGQ-RMMWZPCPSA-N 336.472 4.412 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCl)(c1ccc(F)cc1)O2 587384535 LUKVWXAGWAPTBF-SFHVURJKSA-N 333.790 4.206 50 1 EIGF CC1=C[C@H](O)C[C@](C)(O)C=C[C@H](C(C)C)CC[C@@](C)(OO)C=CC1 2356710391 BZHRGVRKTVGYGR-HAGHYFMRSA-N 338.488 4.252 50 1 EIGF CC[C@H](C)[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587542285 GKKHGNVNPUFSGH-UVIMBBFXSA-N 346.810 4.378 50 1 EIGF C#CC=CC[C@@H]1OO[C@H]([C@@H](Br)CC)CC=CC[C@@H]1Cl 2356441106 FWWSEQPHLDAZQV-AJNGGQMLSA-N 347.680 4.382 50 1 EIGF CCCOc1cc2nc(CBr)[nH]c2cc1Br 586970761 GEFVYHCKOIDYGA-UHFFFAOYSA-N 348.038 4.009 50 1 EIGF Cn1ccc([C@@]2(CCl)NCCc3cccc(-c4ccccc4)c32)c1 962662957 NBLGCJGTISLVOG-OAQYLSRUSA-N 336.866 4.320 50 1 EIGF ClC[C@@H](Cl)c1nc2cc(Cl)cc(Br)c2[nH]1 587008288 NBNDDXFAENTMIY-ZCFIWIBFSA-N 328.424 4.498 50 1 EIGF Cc1nc(C)c([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)o1 587499609 WHJWRZFJDTXSJL-IBGZPJMESA-N 345.826 4.270 50 1 EIGF C=C[C@@](C)(O)CC[C@@H]1[C@]2(C)CC[C@@H](O2)[C@@]1(C)C/C=C\C(C)(C)OO 205737593 MMDGRRLDAOVYIQ-KHXNOHARSA-N 338.488 4.492 50 1 EIGF CC(=O)Oc1ccc(-c2c(CCl)[nH]c3cc([N+](=O)[O-])ccc23)cc1 587643214 BWDZVHHFVQVOHR-UHFFFAOYSA-N 344.754 4.407 50 1 EIGF CCC[C@@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587688379 MBCNVUPQCMNKPD-OTYXRUKQSA-N 334.660 4.357 50 1 EIGF CC(=O)Nc1ccc(C(C#N)=Cc2ccc(N(C)CCC#N)cc2)cc1 1857741973 RLWHUNLBCBXSCA-UHFFFAOYSA-N 344.418 4.059 50 1 EIGF C[C@H](Br)c1nc2cc(Br)cc(Cl)c2[nH]1 587008621 MXEMFHLWZZFBRK-BYPYZUCNSA-N 338.430 4.435 50 1 EIGF CC(=CCCC(C)=CC(=O)O)CCC=C(C=O)CCC=C(C)C(=O)O 2356620665 BBKMFBJRIBNGER-UHFFFAOYSA-N 348.439 4.460 50 1 EIGF CC1(C)Oc2c(c3nccnc3c3ccccc23)C[C@@H]1Br 40584387 YFDAWLASGSASEV-ZDUSSCGKSA-N 343.224 4.260 50 1 EIGF CCCCCCSC1=C(C#N)[C@@H](c2ccc(F)cc2)NC(=O)N1 299829879 ICMAAZGPGNYFSC-OAHLLOKOSA-N 333.432 4.228 50 1 EIGF COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)([C@H](C)Cl)[C@@H](C2)C3=O 587426207 AQSKKIYUSQAYGY-PYFOHURJSA-N 346.785 4.105 50 1 EIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C(Cl)Cl)N1 587687366 GETLGAVSGNSEHD-SREIQFSDSA-N 341.051 4.141 50 1 EIGF COc1ccc(C[C@@H](C#N)C(C#N)=Cc2ccc(OC)c(OC)c2)cc1 2356430390 KGCCITMWQZHGKS-KRWDZBQOSA-N 348.402 4.002 50 1 EIGF CCOC(=O)C/N=C\C(CC)(CC)SSC(C=O)(CC)CC 73166425 MFTRVZVRIYNGDI-ATVHPVEESA-N 347.546 4.318 50 1 EIGF Cc1cccc([C@@]2(CBr)NCCc3ccc(F)c(C)c32)c1 962092525 NKAHKNCOXVYMQB-GOSISDBHSA-N 348.259 4.227 50 1 EIGF CC/C=C(C)\C=C\CCC[C@@]1(OC)C[C@@H](C)[C@@H](CC(=O)OC)OO1 238765901 MMZGNYMATSQASW-KODZSEIVSA-N 340.460 4.332 50 1 EIGF Cc1ccc(/C=C(/C#N)c2nc3cc(C(F)(F)F)cnc3[nH]2)cc1 587188905 YGAXEGXDLKURQD-SDQBBNPISA-N 328.297 4.349 50 1 EIGF O=C1c2ccc(O)cc2O[C@@](CCl)(C2CC2)[C@@H]1c1ccc(F)cc1 587325438 FOHDCUDFGJMYED-MJGOQNOKSA-N 346.785 4.278 50 1 EIGF COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)sc1C)[C@@H](C2)C3=O 587453916 VFOUDUZEPGLVEQ-KBXCAEBGSA-N 348.851 4.255 50 1 EIGF Cc1c(Br)ccc2nc(CCCCBr)[nH]c12 586971945 ATIDXKPAGULWIL-UHFFFAOYSA-N 346.066 4.351 50 1 EIGF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(CCl)C1CCCCC1 963636742 RXJHPXHPHZQKFR-DJJJIMSYSA-N 337.891 4.252 50 1 EIGF Fc1ccc([C@@]23CCC[C@@H](OO[C@@H](C4CCCCC4)OO2)O3)cc1 169371650 OKOXIGMRJRVPFZ-KZNAEPCWSA-N 338.375 4.322 50 1 EIGF C=C1CC[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C[C@@]2(C)C(=O)C=CC(C)(C)OO 2356434735 CHWBJCXRMPJUJW-OZRBRLMWSA-N 334.456 4.310 50 1 EIGF CC1=C2CC[C@](C)(OO)/C=C\C[C@@]3(C)O[C@@H]3CC/C(C)=C\[C@H]2OC1=O 238788018 PTKZNZZJRAMCOQ-YJCKUARVSA-N 348.439 4.101 50 1 EIGF O=C1C[C@@](CBr)(C2CC2)Oc2c1ccc1c2CCCC1 587498221 GCRROBXBFZTUBB-QGZVFWFLSA-N 335.241 4.074 50 1 EIGF CN[C@]1(C)CC[C@@H]2[C@H](C)C[C@@H]3C[C@H](C)[C@](C)(N=C=O)[C@@H]4CC[C@@H]1[C@H]2[C@@H]34 2356857702 SLSPGCWJBGBWCZ-LZKSQZAKSA-N 344.543 4.423 50 1 EIGF CCCCC1=C(C(=O)OC)[C@H](c2ccccc2Cl)C(C#N)=C(C)N1 62224667 BUUOLGKPFRELSS-QGZVFWFLSA-N 344.842 4.442 50 1 EIGF CC=C[C@@H]1CC=CC[C@H](Cl)[C@@H](C[C@H](O)C=C=CBr)O1 2356419478 UAKMIDIJYGIRKO-SMDJCGJWSA-N 347.680 4.088 50 1 EIGF COC(=O)C[C@]1(C)CC[C@]2(O1)C(C=O)=CC[C@@H]1C(C)(C)CCC[C@@]12C 2356663608 OGEKQEVIKZDKAA-SEVLPDGMSA-N 348.483 4.219 50 1 EIGF O[Si@](CCCN1CCCCC1)(c1ccc(F)cc1)C1CCCCC1 1857622170 ZNSZQJHTFRQUPD-DEOSSOPVSA-N 349.566 4.181 50 1 EIGF Cc1c(Br)cc2nc([C@H](C)Br)[nH]c2c1C 587008810 OTSCBPSGEADFLA-ZETCQYMHSA-N 332.039 4.398 50 1 EIGF COc1ccc(Cl)cc1C#Cc1cc2c(cc1CCl)OCCO2 587907868 QXECEUGKUQEVEN-UHFFFAOYSA-N 349.213 4.258 50 1 EIGF BrC[C@@H]1Nc2ccc3cc4ccccc4nc3c2CO1 40764236 NRXDQXOTKRLQJI-OAHLLOKOSA-N 329.197 4.051 50 1 EIGF CCC=C(C)C=CCCC[C@]1(OC)C[C@H](C)[C@@H](CC(=O)OC)OO1 2356436460 MMZGNYMATSQASW-YQVWRLOYSA-N 340.460 4.332 50 1 EIGF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3C[C@@H]4OO[C@]3(C=C4C(C)C)CC[C@H]21 73404579 NAAKMWGAXDJMGM-LLGWXDCBSA-N 348.483 4.437 50 1 EIGF CC1(C)C[C@H](Cl)CN(CCCCN2C[C@@H](Cl)CC(C)(C)C2)C1 299860671 GYPZDTPUVGBFRQ-HOTGVXAUSA-N 349.390 4.445 50 1 EIGF O=C(N/N=C/C1=Cc2ccccc2O[C@H]1c1ccccc1)c1ccco1 1772589692 KOEMQRZKIDAEIT-ISXGRJCASA-N 344.370 4.213 50 1 EIGF CC1(C)[C@H](OC(=O)c2ccccc2)CC[C@]2(C)C[C@@H]3C=C[C@]12OO3 43676846 MURKHDAAWBTEQC-FIYPYCPBSA-N 328.408 4.067 50 1 EIGF CC(C)[C@@H](Br)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587498384 GUBKLIGRKGMWBB-HZPDHXFCSA-N 337.257 4.319 50 1 EIGF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(CCl)C1CCCCC1 963636744 RXJHPXHPHZQKFR-YJYMSZOUSA-N 337.891 4.252 50 1 EIGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](CC(C)(F)F)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]23OO4 195253004 MPJSRZRJOSUUDI-LBYRURMLSA-N 346.414 4.282 50 1 EIGF COC(=O)[C@H](Cl)c1ccc(C#Cc2cc(Cl)ccc2OC)cc1 587905597 AYMXWQPFKDNKMO-QGZVFWFLSA-N 349.213 4.201 50 1 EIGF C[C@]1(CCCl)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962642543 URZQEVAGBHYOMQ-FPOVZHCZSA-N 340.898 4.278 50 1 EIGF C=CC=CC=CC=CC=CC=CC=CC[C@H]1C[C@H](CC(=O)O)OO1 2356524566 JSGYAPYVMBOAFU-RBUKOAKNSA-N 328.408 4.464 50 1 EIGF CC(=O)OCC/C(C)=C(Cl)/C=C/[C@@](C)(Cl)CBr 13379409 CLBWWJUVFJDYMJ-VPZQOHQVSA-N 344.076 4.401 50 1 EIGF COc1cncc2nc([C@H](C)c3ccc(CBr)cc3)[nH]c12 586973095 FKHQWZFFTMPHRC-SNVBAGLBSA-N 346.228 4.013 50 1 EIGF O=C1CS[C@H](c2c(Cl)cccc2Cl)N1[C@@H]1CC[C@H]1Cl 195213058 HSJQDFQRYSOTJP-XBURVNOZSA-N 336.671 4.337 50 1 EIGF CC=CCCCCCCC[C@]1(OC)C[C@H](C)[C@H](CC(=O)O)OO1 2356796752 NMUUFKMOHJKZAU-XYJFISCASA-N 328.449 4.467 50 1 EIGF Cc1cc(Br)c2[nH]c(/C=C/CBr)nc2c1 586972064 DSXWYHSOPMSQNQ-NSCUHMNNSA-N 330.023 4.042 50 1 EIGF C[C@@H](c1ccc(CBr)cc1)c1nc2cccc(O)c2[nH]1 586973110 FLNAEZRTCCYABG-JTQLQIEISA-N 331.213 4.315 50 1 EIGF Cc1ccc(/C=C(/C#N)c2nc3ccc(Br)nc3[nH]2)cc1 587188827 XHOCXXNWQJKWDT-WQLSENKSSA-N 339.196 4.093 50 1 EIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C(C)(C)CCl)N1 587685955 SGCWZGZJPSGZMZ-ISVAXAHUSA-N 334.660 4.429 50 1 EIGF C=C[C@@](C)(Cl)[C@@H](Cl)/C=C/C(C)=C/C[C@@H](O)C(=C)CC(=O)O 13379419 CYRVLPXRQULBHZ-WHGSSFCCSA-N 333.255 4.062 50 1 EIGF biogenic,in-vitro CC(C)(C)O/C=C1/C(=O)O[C@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]12 195516424 NZOSXMAUPPFBKC-PTIJILKISA-N 340.536 4.411 50 1 EIGF Cc1cnc2[nH]c([C@H](C)c3ccc(CBr)cc3)nc2c1 586973204 GSCCYLRNARZANF-LLVKDONJSA-N 330.229 4.313 50 1 EIGF O=C(O)c1cccc2c(CCCl)c(-c3cc(F)ccc3O)[nH]c12 587638330 XAVBGXUPVSNIEN-UHFFFAOYSA-N 333.746 4.159 50 1 EIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(C2CCC2)N1 587685923 SBYZXQYNECMXGL-RFAUZJTJSA-N 346.671 4.357 50 1 EIGF Cc1[nH]c2c(c1C)/C(=N/NC(=O)Nc1ccc(Cl)cc1)CCC2 38149903 CWWKNCKBBPUXKA-RCCKNPSSSA-N 330.819 4.147 50 1 EIGF C#C/C=C\C[C@@H]1O/C(=C(\Br)CC)C[C@@H]2O[C@@H]2C[C@@H]1Cl 140440906 IPGHQCSIHTZTOJ-WHQBXPBFSA-N 345.664 4.136 50 1 EIGF Fc1ccc([C@@H]2OO[C@H]3[C@H]4CC[C@@H](C4)[C@]3(c3ccccc3)OO2)cc1 253633667 LDDQLKCZGVEWLE-IHXHSXLNSA-N 342.366 4.428 50 1 EIGF C=C(CO)[C@@H]1CC[C@](C)(OO)C=CCC(C)=CCCC(C)=C[C@@H]1O 2356467853 HGPWGHBBMMTDTA-SLFFLAALSA-N 336.472 4.173 50 1 EIGF C/C(=N/NC(=O)c1sc2cc(Cl)ccc2c1O)c1ccccc1 84722628 LNCLCVDMTVZVAT-GRSHGNNSSA-N 344.823 4.414 50 1 EIGF C=C(C)[C@H]1C[C@@]23[C@@H](O1)O[C@]2(C)[C@@H](Cl)C=C(Br)C3(C)C 140441437 OTYKIZCAJLUGLI-ONAWRNRTSA-N 347.680 4.379 50 1 EIGF COc1cc(/C(C#N)=C/c2cc3ccccc3[nH]2)cc(OC)c1OC 299871109 XTHURULJPZSEPP-OQLLNIDSSA-N 334.375 4.258 50 1 EIGF COc1cc2c3c(c1)O[C@](CCCCl)(c1cccs1)[C@@H](C2)C3=O 587453721 YRXFPWDJMDJKTJ-UGSOOPFHSA-N 348.851 4.419 50 1 EIGF CC1(C)OCc2cnc(CCl)c(OCc3ccccc3)c2CO1 169317751 JZIDGBMPNMDCQH-UHFFFAOYSA-N 333.815 4.182 50 1 EIGF C=C(CO)[C@@H]1CC[C@@](C)(OO)C=CCC(C)=CCCC(C)=C[C@H]1O 2356467855 HGPWGHBBMMTDTA-ZCNNSNEGSA-N 336.472 4.173 50 1 EIGF C[C@]12CC[C@H]3[C@@H](CCC4=Cc5oncc5C[C@@]43C)[C@@H]1CC[C@]2(O)C#N 1772623530 FHWQAAUZSCVUGH-OBQKJFGGSA-N 338.451 4.111 50 1 EIGF CC(C=CC=O)=C1C(=O)C[C@@H]2[C@]1(C)CC[C@@H]1C(C)(C)C(=O)CC[C@]12C 2356802634 SMOCCDQLCDXRAO-XQTRSNPVSA-N 342.479 4.459 50 1 EIGF CCCCC/C=C\C/C=C\C/C=C\C=C\[C@H](O)CCCC(=O)NN 29563616 ODLQOFNAOVWQKV-CABOLEKPSA-N 334.504 4.093 50 1 EIGF CNC(=O)[C@H]1C[C@H]1c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587236757 YXKYMXRJJZIQKB-SFYZADRCSA-N 341.305 4.070 50 1 EIGF CCOc1ccc([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587372926 NZPLHEGPOSGHHO-LJQANCHMSA-N 345.826 4.075 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc(Cl)cc1)O2 587374326 WOUUZJJVEWIMFT-KRWDZBQOSA-N 336.218 4.330 50 1 EIGF O=C(N/N=C/c1ccccn1)Nc1ccccc1Oc1ccccc1 98083781 UUSOPTLHWNPTOO-KGENOOAVSA-N 332.363 4.030 50 1 EIGF CC(C)(C)N(NC(=O)c1cccc(F)c1)C(=O)c1ccccc1Cl 103179461 SISYMEZDIREZLL-UHFFFAOYSA-N 348.805 4.065 50 1 EIGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](CCl)(c2c(C)noc2C)N1 962946211 KTIMARFEYRNTPC-YJYMSZOUSA-N 343.858 4.179 50 1 EIGF N#C/C(C(=O)Nc1ccc(CCc2ccccc2)cc1)=C(/O)C1CC1 39054480 XRYVXYTZYFZPMZ-VXPUYCOJSA-N 332.403 4.156 50 1 EIGF Cn1cccc1[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587500249 ZPJYYAXFVWGLHB-IBGZPJMESA-N 329.827 4.003 50 1 EIGF O=C(NNCc1ccc(Cl)cc1)Nc1cccc2ccccc12 1860772 WYESAAHFLHETQQ-UHFFFAOYSA-N 325.799 4.320 50 1 EIGF C1CCC(NCC2CCC3(CC2)OOC2(CCCCC2)OO3)CC1 43620324 XONNXGKONJYEPT-UHFFFAOYSA-N 339.476 4.366 50 1 EIGF CCCN(CCC)C(=O)c1ccc(N(CCCl)CCCl)cc1 49767381 QFWVLMXFGQNABU-UHFFFAOYSA-N 345.314 4.233 50 1 EIGF c1ccc([C@]23OO[C@H](C4CCCCC4)OO[C@@H]2[C@@H]2CC[C@@H]3C2)cc1 169368513 COADCJGMCLNEBK-YHUYVZNPSA-N 330.424 4.497 50 1 EIGF Fc1cc2c(-n3nnc4ccccc43)c(CCl)[nH]c2cc1Cl 587628012 FKJBQVQUSOFOFL-UHFFFAOYSA-N 335.169 4.433 50 1 EIGF CCC[C@@H]1[C@@H]2CC[C@@H](C)[C@@H]3CC[C@@]4(C)OO[C@]32[C@@H](O[C@H]1OCC)O4 195242404 YGWHMWBPLASGSB-RPEQJJBSSA-N 340.460 4.011 50 1 EIGF C#CC=CC[C@H](Cl)[C@@H]1CC=CC[C@@H](Br)[C@@H](CC)O1 2356529921 WMDYCUMSABQCMS-BARDWOONSA-N 331.681 4.451 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCCC[C@@H]1Br)O2 587371935 IGSYRRLIMOATNC-HOCLYGCPSA-N 338.245 4.009 50 1 EIGF CC(C)=CCC[C@H](C)[C@H]1CCC[C@@]2(C)CC=C(C=O)[C@@]1(C=O)[C@@H]2O 2356482222 IVWAHKOUUAMNFT-KTIPNOMGSA-N 332.484 4.251 50 1 EIGF CC(C)=CCC/C(C=O)=C\COc1cc(=O)oc2cccc(C)c12 15120621 JSHREDUFRCIMIY-MHWRWJLKSA-N 326.392 4.352 50 1 EIGF CC=CC=CCCCCC[C@]1(OC)C[C@@H](C)[C@@H](CC(=O)O)OO1 2356791170 GMKKZJOYHLHRNP-JFIYKMOQSA-N 326.433 4.243 50 1 EIGF CC(C)(Cl)[C@H](Cl)CC[C@](C)(Cl)C(=O)CBr 1644128 DVCXUKCFXDSRRN-XCBNKYQSSA-N 338.500 4.353 50 1 EIGF CC(=O)N(C)/N=N/c1ccc2ncnc(Nc3cccc(C)c3)c2c1 13531067 QERJKZGCVRVTNJ-GHVJWSGMSA-N 334.383 4.159 50 1 EIGF CCCOc1ccc2[nH]c3cnc(N=C=S)c(COC)c3c2c1 13780124 RUTMFHORIAMFLX-UHFFFAOYSA-N 327.409 4.386 50 1 EIGF CCCCOC(=O)O[C@H]1CC[C@]2(C)C[C@H]3CC[C@@]2(OO3)C1(C)C 105528127 PGXROGJUTKCNEB-LTCOOKNTSA-N 326.433 4.388 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H](Cl)c1ccc(F)cc1)O2 587384557 MCUIRMLGJMTBRI-ROUUACIJSA-N 333.790 4.420 50 1 EIGF CC[C@@]1(CCCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587546777 XPTDHCUPGOBDDE-QAPCUYQASA-N 332.783 4.132 50 1 EIGF COc1cc(/C=C(\C#N)c2c[nH]c3ccccc23)cc(OC)c1OC 653759977 XGBZFADVLFVDIJ-RIYZIHGNSA-N 334.375 4.258 50 1 EIGF C#CC=CC[C@@H]1OO[C@H]([C@H](Br)CC)CC=CC[C@H]1Cl 2356441107 FWWSEQPHLDAZQV-KBXIAJHMSA-N 347.680 4.382 50 1 EIGF Cc1ccc(/C(O)=C(\C#N)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 59034391 IUROKUPPKQRSPX-NXVVXOECSA-N 346.308 4.445 50 1 EIGF CC(C)[Si](O[C@]12CC[C@@H](C[C@@H]1O)C[C@@H]2C(=O)O)(C(C)C)C(C)C 195453555 SRCNKDRSZASSMC-CBZIJGRNSA-N 342.552 4.183 50 1 EIGF O=C1c2ccc(O)cc2O[C@](CCl)(C2CC2)[C@H]1c1ccc(F)cc1 587325439 FOHDCUDFGJMYED-PKOBYXMFSA-N 346.785 4.278 50 1 EIGF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1ccccc1CCl 963607013 ISGABXMATXDBGX-HXPMCKFVSA-N 331.843 4.066 50 1 EIGF C#C/C=C\C[C@H]1O[C@@H]([C@H](Br)CC)C/C=C/C[C@H]1Cl 238784042 BWALZYVILRSXNY-SALRPBJVSA-N 331.681 4.451 50 1 EIGF CC(C)=CCCC(C=O)=CCOc1cc(=O)oc2cccc(C)c12 2356643176 JSHREDUFRCIMIY-UHFFFAOYSA-N 326.392 4.352 50 1 EIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@@H]2Cl)N1 587706882 SFPPLKNVHGATLP-LYSGOOTNSA-N 346.671 4.499 50 1 EIGF O=C(N/N=C\c1ccc(F)cc1)c1ccc(OCc2ccccc2)cc1 33323786 WHZWIJMYWHQVIH-UCQKPKSFSA-N 348.377 4.169 50 1 EIGF Fc1ccc([C@@]23CCC[C@H](OO[C@@H](c4ccccc4)OO2)O3)cc1 38158871 XROMFUCNXGYBEI-RCCFBDPRSA-N 332.327 4.114 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(CBr)cc1)O2 587376208 IFAOZOWUBDBAOE-MRXNPFEDSA-N 346.224 4.179 50 1 EIGF Cc1nn(CCCl)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587497659 JUJJHRCSEXXCCW-GOSISDBHSA-N 344.842 4.016 50 1 EIGF C=C(C)C(=O)C=C(Cl)[C@@](C)(Cl)[C@@H](Br)CCl 2356602942 QRDOBLZPGKSKEF-WPRPVWTQSA-N 334.468 4.254 50 1 EIGF COc1cc2c3c(c1)O[C@@](C)([C@@H](Cl)c1ccc(F)cc1)[C@@H](C2)C3=O 587427925 JZVNLPAMJQOQLB-ZOCIIQOWSA-N 346.785 4.321 50 1 EIGF C=C(C)[C@@H](CCC(C)=CCOc1cc(O)cc2oc(=O)ccc12)OO 2356698449 WUMPJBOGGVGFTH-MRXNPFEDSA-N 346.379 4.038 50 1 EIGF CC(C)/C(C=O)=C\C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CCC[C@@]2(C)C(=O)O 45336736 AZDNKBZTUMFXFL-DJOOAQMXSA-N 334.456 4.034 50 1 EIGF CNC(=O)[C@@H]1C[C@H]1c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587236755 YXKYMXRJJZIQKB-HTQZYQBOSA-N 341.305 4.070 50 1 EIGF Cn1c2c(c3ccccc31)[C@H]1CCCCCC[C@H]1[C@H]1C(=O)OC(=O)[C@@H]21 195506220 PLPKUGCPCLWSFX-QIZIZJAASA-N 337.419 4.029 50 1 EIGF O=C(Cl)c1cc(C(=O)Cl)cc(C(=O)c2coc3ccccc23)c1 587280504 IBGOLSPZEXCFMI-UHFFFAOYSA-N 347.153 4.422 50 1 EIGF C[C@@]1(c2ccc(C=O)cc2)CSSC[C@H]2CCC[C@@]3(C2)C[N@]3C1 2356506749 JJVVMZCESNOKAY-FFGOWVMKSA-N 347.549 4.396 50 1 EIGF C=CCO/C(O)=C1\C(C)=NC(SC)=C(C#N)[C@@H]1c1cccs1 17511186 COYYGSONNSZEKI-LBFFYKKLSA-N 332.450 4.377 50 1 EIGF Cc1ccc(/C=N\NC(=O)CSCc2ccc(Cl)cc2)cc1 33284851 UPEKHTCNHPKAAL-GRSHGNNSSA-N 332.856 4.032 50 1 EIGF Cc1ccc(/C=N\NC(=O)C2=C(Cl)c3ccccc3CCC2)cc1 299823067 JTPBXNWVOKSMEH-XKZIYDEJSA-N 338.838 4.432 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc(F)c(C)c1)O2 587382995 WKMFPWIUIIWWNV-SFHVURJKSA-N 333.790 4.124 50 1 EIGF C=C(C)C(=O)C(Cl)=C[C@](C)(Cl)[C@@H](Br)CCl 2356477700 FGDONCJPOYFCKW-WPRPVWTQSA-N 334.468 4.254 50 1 EIGF Fc1ccc([C@]23CCC[C@@H](OO[C@@H](c4ccccc4)OO2)O3)cc1 169332164 XROMFUCNXGYBEI-KURKYZTESA-N 332.327 4.114 50 1 EIGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)C1CCC1 587543373 KJRQUEOAYWOIJM-LPHOPBHVSA-N 344.794 4.132 50 1 EIGF c1cnc2sc(SSc3nc4cccnc4s3)nc2c1 1772639569 MUIWDDXAZDHHRX-UHFFFAOYSA-N 334.476 4.495 50 1 EIGF CCOc1cc(C(=CC#N)c2ccc(OC)c(F)c2)ccc1OC 1857623388 GAGQVLMOQSRDFQ-UHFFFAOYSA-N 327.355 4.197 50 1 EIGF CC1(C)C[C@H](Cl)CN(CCCN2C[C@H](Cl)CC(C)(C)C2)C1 299871170 XYVHPHDLKIDRII-GASCZTMLSA-N 335.363 4.055 50 1 EIGF BrC/C=C\c1nc2c3cccnc3c3ncccc3c2[nH]1 586974701 YOXZMWAKYBNXDO-BHQIHCQQSA-N 339.196 4.067 50 1 EIGF N[C@H](CCl)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587010359 JMBXEWNOLWDDOL-SNVBAGLBSA-N 328.828 4.078 50 1 EIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(C2CCC2)N1 587685920 SBYZXQYNECMXGL-BJOHPYRUSA-N 346.671 4.357 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@@H](Cl)CCCCC[C@H]1Cl 587383638 ZHJGLWOUMYFHKQ-SCAQPMJSSA-N 342.266 4.460 50 1 EIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@@H]2Cl)N1 587707269 VCHFUVSZIFJOFY-TURNYIBQSA-N 346.671 4.499 50 1 EIGF C=C(CO)[C@@H]1CC[C@@](C)(OO)/C=C/C/C(C)=C/CC/C(C)=C/[C@@H]1O 49723067 HGPWGHBBMMTDTA-WWWHTDTNSA-N 336.472 4.173 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc3c(c1)CCC3)O2 587371575 GWVFJOCYTMZPGO-HXUWFJFHSA-N 341.838 4.165 50 1 EIGF O=C1CS[C@H](c2c(Cl)cccc2Cl)N1[C@H]1CC[C@H]1Cl 58566809 HSJQDFQRYSOTJP-LIEFSGRHSA-N 336.671 4.337 50 1 EIGF COc1ccccc1-c1ccc(NC(=O)/C(C#N)=C(/C)O)c(Cl)c1 100036440 YUDQXOMZBLEWBH-KAMYIIQDSA-N 342.782 4.310 50 1 EIGF in-vivo C/C(=N\NC(=O)c1ccccc1Cl)c1ccc(-n2cccc2)cc1 103224077 CILIRFGRSGTIAC-KGENOOAVSA-N 337.810 4.285 50 1 EIGF COc1ccc(/C=N/NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 1857758555 BGNZMNOSTQVDCT-CQXBIZBBSA-N 336.435 4.156 50 1 EIGF C/C(=N\NC(=O)c1cc2ccccc2cc1O)c1cc2ccccc2[nH]1 95558853 MIYVAEVHESBYKB-YDZHTSKRSA-N 343.386 4.181 50 1 EIGF CCOc1ccc(NC(=O)N/N=C(\C)c2ccc(Cl)cc2)cc1 103198212 LKKYSXMHYWBPBF-UDWIEESQSA-N 331.803 4.284 50 1 EIGF O=C1c2ccc(O)cc2O[C@]2(CCC[C@H]2Cl)[C@H]1c1ccc(F)cc1 587327079 DSQFCPFHNQMTSW-AOIWGVFYSA-N 346.785 4.420 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccccc1)([C@@H](C)Cl)O2 587370816 BXFAVDWGQMCEMA-BFUOFWGJSA-N 329.827 4.151 50 1 EIGF CC(C)[Si](O[C@]12CC[C@H](C[C@H]1CO)C[C@H]2O)(C(C)C)C(C)C 299816426 YONZTXUKJXVFES-XMTFNYHQSA-N 328.569 4.091 50 1 EIGF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@H](C)[C@@]23CCC(=CC=O)O3)C1(C)C 2356552694 YUIOUOHLEHUTMC-RUXLODGWSA-N 348.483 4.423 50 1 EIGF Cn1c(O[Si](C)(C)C)cnc1N([Si](C)(C)C)[Si](C)(C)C 195807809 WSIMYNVGZCRMEY-UHFFFAOYSA-N 329.669 4.110 50 1 EIGF in-vitro CC(C)(F)[C@H](Br)c1nc2c(Cl)c(Cl)cnc2[nH]1 587086872 HZCXXUAKXOGOMT-SSDOTTSWSA-N 341.011 4.449 50 1 EIGF CCCc1c(O)ccc2c1O[C@@](CC)([C@H](C)Br)CC2=O 587450003 CWDQMSUXVGQNDI-MGPLVRAMSA-N 341.245 4.242 50 1 EIGF C/C(=C\COc1ccc2ccc(=O)oc2c1)C/C=C/C(C)(C)OO 1857749159 XRGVPINPOSEDNY-ATTWWORZSA-N 330.380 4.333 50 1 EIGF CC1(C)[C@H](Br)C(=O)CC2=C[C@]3(C)CC[C@]21C[C@H]3Cl 2356306587 OJKFQCDETMADCU-UXOAXIEHSA-N 331.681 4.473 50 1 EIGF O=S1c2ccccc2-c2cc(N(CCCl)CCCl)ccc21 27411727 XQRMEPJRJZAERV-UHFFFAOYSA-N 340.275 4.118 50 1 EIGF CCC[C@@H]1[C@@H]2CC[C@@H](C)[C@@H]3CC[C@@]4(C)OO[C@]32[C@H](O[C@H]1OCC)O4 195242386 YGWHMWBPLASGSB-NQWKWHCYSA-N 340.460 4.011 50 1 EIGF Cc1cc(Br)c2[nH]c(CCCCBr)nc2c1 586972090 GBPDJVWLHSBUBX-UHFFFAOYSA-N 346.066 4.351 50 1 EIGF CC[C@@]1(CCCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587683986 IUNRYHWITKYUSK-OTYXRUKQSA-N 334.660 4.357 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(C(Cl)Cl)O2 587372091 JJRFELJBAHDXDT-QGZVFWFLSA-N 336.218 4.242 50 1 EIGF COc1cncc2nc([C@@H](C)c3ccc(CBr)cc3)[nH]c12 586973094 FKHQWZFFTMPHRC-JTQLQIEISA-N 346.228 4.013 50 1 EIGF Cc1c(Br)cc2nc(/C=C/CBr)[nH]c2c1C 586972443 RKLCWDLBEDTOMX-ONEGZZNKSA-N 344.050 4.350 50 1 EIGF CC1=C[C@H](O)C[C@](C)(O)C=C[C@@H](C(C)C)CC[C@](C)(OO)C=CC1 2356710392 BZHRGVRKTVGYGR-IYWMVGAKSA-N 338.488 4.252 50 1 EIGF Cc1ccc(-c2nc(SSc3ccccc3[N+](=O)[O-])n[nH]2)cc1 103209926 JXUABTCWEVRWNX-UHFFFAOYSA-N 344.421 4.488 50 1 EIGF C/C1=C\[C@H](O)C[C@](C)(O)/C=C/[C@H](C(C)C)CC[C@](C)(OO)/C=C/C1 238754983 BZHRGVRKTVGYGR-MCPBYMKKSA-N 338.488 4.252 50 1 EIGF Cc1ccc(/C=C(\C#N)c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 587188687 VKTPUXLCIZWWDG-UXBLZVDNSA-N 331.272 4.492 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc(Cl)cc1)O2 587374327 WOUUZJJVEWIMFT-QGZVFWFLSA-N 336.218 4.330 50 1 EIGF C=C(c1ccc(OC)cc1)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 43397023 YRYWKXFERQGNSL-BXDRECAWSA-N 342.435 4.208 50 1 EIGF C/C=C/[C@H]1CC=CC[C@@H](Cl)[C@@H](C[C@@H](O)C=C=CBr)O1 71296743 UAKMIDIJYGIRKO-CQDNNFPSSA-N 347.680 4.088 50 1 EIGF COc1cc2c3c(c1)O[C@@](C)(c1cccc(CCl)c1)[C@@H](C2)C3=O 587420354 IEFDBGQZXZULOF-KXBFYZLASA-N 328.795 4.097 50 1 EIGF C[C@]12CC[C@H]3[C@@H](CCC4=Cc5oncc5C[C@@]43C)[C@@H]1CC[C@@]2(O)C#N 1772623529 FHWQAAUZSCVUGH-KWNDPWABSA-N 338.451 4.111 50 1 EIGF O=C(Nc1nc(CN=C=S)cs1)c1ccc(C(F)(F)F)cc1 27298502 DFZWGCKKXWYFPN-UHFFFAOYSA-N 343.355 4.017 50 1 EIGF Cn1c2c(c3ccccc31)[C@@H]1CCCCCC[C@@H]1[C@H]1C(=O)OC(=O)[C@H]21 299816056 PLPKUGCPCLWSFX-OBQMCUGOSA-N 337.419 4.029 50 1 EIGF CCC[C@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587688697 NFIUGAVEGINIFM-LKFCYVNXSA-N 334.660 4.357 50 1 EIGF C#CC=CCC=CC[C@@H]1O[C@H](CC)[C@@H](Br)C[C@H]1Cl 2356497224 FXXNVLKJOSSFCK-YJNKXOJESA-N 331.681 4.451 50 1 EIGF Fc1ccc([C@@H]2OO[C@@H]3[C@H]4CC[C@@H](C4)[C@]3(c3ccccc3)OO2)cc1 253633668 LDDQLKCZGVEWLE-UBVLKLFISA-N 342.366 4.428 50 1 EIGF O=C(c1ccccc1)c1ccc2nc(/C=C/CBr)[nH]c2c1 586973511 KTOPDCWYCFSZDK-QPJJXVBHSA-N 341.208 4.202 50 1 EIGF O=C1c2ccc(O)cc2O[C@@](CCl)(C2CC2)[C@H]1c1ccc(F)cc1 587325436 FOHDCUDFGJMYED-HKUYNNGSSA-N 346.785 4.278 50 1 EIGF O=CC1=C(Cl)[C@H]([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CCC1 587499098 LAPVYHILFMYDSI-WMZOPIPTSA-N 344.838 4.391 50 1 EIGF CC(C)=C(C=O)CC[C@@H]1C(=O)CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@@]12C 2356421423 JWQFSZPHDJUDSP-LQJIQPLVSA-N 334.456 4.178 50 1 EIGF CC1=C2CC[C@](C)(OO)/C=C/C[C@@]3(C)O[C@@H]3CC/C(C)=C\[C@H]2OC1=O 238788020 PTKZNZZJRAMCOQ-KMKUHKNLSA-N 348.439 4.101 50 1 EIGF COc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1CCl 587376839 UFIGRJUEGDMWSG-IBGZPJMESA-N 345.826 4.205 50 1 EIGF Cc1ccc(SSc2ccc(C)cc2C(=O)O)c(C(=O)O)c1 1622908 VKTJWKGPIVTERS-UHFFFAOYSA-N 334.418 4.499 50 1 EIGF CC(C)(C)O[C@@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H]1Cl 587497980 HSRQPPCLJJNWOS-IMFGXOCKSA-N 348.870 4.464 50 1 EIGF C#C/C=C\C[C@@H]1O[C@@H](CC)[C@@H](Br)C/C=C\C[C@@H]1Cl 85599987 XNLVYZURWKMAIT-XPEVOSFMSA-N 331.681 4.451 50 1 EIGF CCC=C(C)C=CCCC[C@]1(OC)C[C@@H](C)[C@H](CC(=O)O)OO1 2356525494 QNOFULCIJFKVRY-SOLBZPMBSA-N 326.433 4.243 50 1 EIGF C#CC=CC[C@@H]1O[C@H]([C@H](Br)CC)CC=CC[C@H]1Cl 2356732389 BWALZYVILRSXNY-KBXIAJHMSA-N 331.681 4.451 50 1 EIGF COC(C)(C)[C@H](Br)c1nc2ccc(Cl)c(C)c2[nH]1 586971724 WVKQSSISNHSUEX-LLVKDONJSA-N 331.641 4.386 50 1 EIGF C[C@@H]1C(=O)C[C@@H](c2ccccc2)N(C(=O)CCl)[C@@H]1c1ccccc1 103294661 WPSDPHFTZGWJHI-LIVBEALHSA-N 341.838 4.145 50 1 EIGF C[C@@H]1CC[C@@H]2CCO[C@@H]3O[C@@]4(CCc5ccccc5)CC[C@@H]1[C@]23OO4 169365726 GNMPJEQAJJPREJ-QLOGHZTQSA-N 344.451 4.235 50 1 EIGF COc1cc(C=CCO)ccc1OCC=C(C)CC=CC(C)(C)OO 2356418228 ZRKYZPSEADYXLE-UHFFFAOYSA-N 348.439 4.240 50 1 EIGF CC(=O)Oc1ccc(OC(C)=O)c(SCCCCCCl)c1 3062540 NTKFRGKTYIYURF-UHFFFAOYSA-N 330.833 4.038 50 3 EIGF CC(C)(C=CC[C@]1(C)CC[C@]2(C)O[C@@H]2CC[C@](C)(O)[C@H]2C[C@@H]21)OO 2356753090 QVXHUQXNTXETOI-WZLKLWACSA-N 338.488 4.326 50 1 EIGF CCCC1=C(C(=O)OC)[C@@H](c2ccccc2Cl)C(C#N)=C(C)N1 58581718 RNQOQGINTAOCKX-INIZCTEOSA-N 330.815 4.052 50 1 EIGF CCCCN(C)C/C(O)=C(\C#N)c1nc(-c2ccccc2)cs1 101514036 HSHAGCNBNSUQTR-ICFOKQHNSA-N 327.453 4.335 50 1 EIGF Cc1nc2[nH]c(/C(C#N)=C/c3ccccc3)nc2cc1Br 587187874 MDNYKNGGUUYSTE-KPKJPENVSA-N 339.196 4.093 50 1 EIGF COc1cc2c3c(c1)O[C@@](C)(c1ccc(CCCl)cc1)[C@@H](C2)C3=O 587419627 FMNVREXANQKHTG-JXFKEZNVSA-N 342.822 4.139 50 1 EIGF CCCc1c(O)ccc2c1O[C@@](CCl)(C(Cl)Cl)CC2=O 587457951 DYGUODZRZVOPIF-AWEZNQCLSA-N 337.630 4.091 50 1 EIGF C=C1CC[C@H](C(C)C)C=C[C@](C)(O)C[C@H](O)C=C(C)CC[C@H]1OO 2356391810 DKVSLOHNSJTRIQ-NMLBUPMWSA-N 338.488 4.252 50 1 EIGF COc1cc2c(cc1OC)[C@@H](c1ccc(CCl)o1)N(C)[C@@H](C)C2 962617981 CNPJKQQJZZJIIY-VOJFVSQTSA-N 335.831 4.001 50 1 EIGF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@@H](C)[C@]23CCC(=CC=O)O3)C1(C)C 2356552693 YUIOUOHLEHUTMC-OMFXLVFUSA-N 348.483 4.423 50 1 EIGF COC1=C(C)C(=O)[C@]2(C)[C@@H](C(C)=CCC(C)C)[C@H]3C=C(C)[C@@]2(OO3)O1 2356785445 AFFGFHRAOSKRJK-LPWQTFTOSA-N 348.439 4.065 50 1 EIGF CC1(C)[C@@H](OC(=O)c2ccccc2)CC[C@]2(C)C[C@@H]3C=C[C@]12OO3 43676847 MURKHDAAWBTEQC-FEHORTKBSA-N 328.408 4.067 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1)([C@H](C)Cl)O2 587383763 GDIMLZQBBAUEAO-VOJFVSQTSA-N 333.790 4.204 50 1 EIGF O=C1C[C@](CCl)(c2ccc(O)cc2)Oc2c1ccc1c2CCCC1 587496741 FEVLFCJQDURCSE-FQEVSTJZSA-N 342.822 4.371 50 1 EIGF COc1cc2c(cc1OC)[C@H](c1ccc(CCl)o1)N(C)[C@H](C)C2 962617973 CNPJKQQJZZJIIY-ADLMAVQZSA-N 335.831 4.001 50 1 EIGF COc1ccc(/C=C/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc1 299825710 NFLFUTCURZLXEI-IVKWGGODSA-N 336.435 4.422 50 1 EIGF O=C1CS[C@H](c2c(Cl)cccc2Cl)N1[C@@H]1CC[C@@H]1Cl 40936200 HSJQDFQRYSOTJP-JVQVWZCXSA-N 336.671 4.337 50 1 EIGF Cc1ccc(/C=C(\C#N)c2nc3cc4c(cc3[nH]2)OCCCO4)cc1 587187116 CHKPRXLITCUOPT-OQLLNIDSSA-N 331.375 4.097 50 1 EIGF CCCc1c(O)ccc2c1O[C@@](CBr)(C(C)C)CC2=O 587456376 NXUSRJGKJYZVGT-INIZCTEOSA-N 341.245 4.100 50 1 EIGF CC[C@@H]1OC(=O)CCCCCCC/C=C/[C@H]2[C@H]1C[C@@H](Cl)[C@@H]2O 169292328 HXFOJGYVWJVNOO-CJJAWKQUSA-N 328.880 4.213 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCCC[C@H]1Br)O2 587371933 IGSYRRLIMOATNC-GDBMZVCRSA-N 338.245 4.009 50 1 EIGF CCCc1c(O)ccc2c1O[C@](CCl)(CCCCl)CC2=O 587462426 ZKRBQNCYYBAZRV-MRXNPFEDSA-N 331.239 4.307 50 1 EIGF C#CC=CC[C@@H]1OO[C@H]([C@@H](Br)CC)CC=CC[C@H]1Cl 2356441109 FWWSEQPHLDAZQV-XGUBFFRZSA-N 347.680 4.382 50 1 EIGF CSc1ccc([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587410211 LZXRNDCXECRHTB-SFHVURJKSA-N 347.867 4.399 50 1 EIGF CC[C@H](C)[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587542283 GKKHGNVNPUFSGH-MOFZMDFASA-N 346.810 4.378 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(C(Cl)Cl)O2 587372066 JJRFELJBAHDXDT-KRWDZBQOSA-N 336.218 4.242 50 1 EIGF CC[C@@H](Cc1ccccc1C#Cc1cc(Cl)ccc1OC)N=C=O 587901490 FNKDYKRGRVLWJM-IBGZPJMESA-N 339.822 4.405 50 1 EIGF CC1(C)[C@H](OC(=O)c2ccccc2)CC[C@@]2(C)C[C@@H]3CC[C@]12OO3 195179936 ZGEZBEGUEKLVRK-JSJNYSNDSA-N 330.424 4.291 50 1 EIGF COc1cc(OC)c(/C=C(\C#N)c2c[nH]c3ccccc23)c(OC)c1 653759957 PFMJLYXYXGFQLV-MDWZMJQESA-N 334.375 4.258 50 1 EIGF C/C(C=NNC(=O)c1cc(-c2ccc(C)c(C)c2)n[nH]1)=C/c1ccco1 263590514 OZTABUDBRQHORI-HFADABHCSA-N 348.406 4.106 50 3 EIGF CCOc1cc(C(=CC#N)c2cc(OC)cc(OC)c2)ccc1OC 1857623395 UZJJLBYHSDGPBB-UHFFFAOYSA-N 339.391 4.066 50 1 EIGF CC(C)[C@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587688287 KQXXGVFSILUFDN-XPTSAGLGSA-N 334.660 4.213 50 1 EIGF CCc1c(C)[nH]c2c1/C(=N/NC(=O)Nc1ccc(Cl)cc1)CCC2 38149906 HWXSQDJLOUYSIW-CJLVFECKSA-N 344.846 4.401 50 1 EIGF COC(=O)CCCCCCC(=O)N/N=C/C[C@@H](C)CCC=C(C)C 95809415 XHMIYRAORCNXFQ-AWZALFRUSA-N 338.492 4.375 50 1 EIGF Cc1ccc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2CCl)cc1 587650091 WJMHSJGZGARLQB-UHFFFAOYSA-N 333.840 4.286 50 1 EIGF C#C/C=C\C[C@@H]1O[C@H]([C@H](Br)CC)CC=CC[C@H]1Cl 238748339 BWALZYVILRSXNY-WXPBPMGWSA-N 331.681 4.451 50 1 EIGF C[C@@]1(c2cccc(N=C=O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587501127 BHIALRRCYNGQHG-NRFANRHFSA-N 333.387 4.413 50 1 EIGF CC=CCCCCCCC[C@]1(OC)C[C@@H](C)[C@@H](CC(=O)O)OO1 2356796749 NMUUFKMOHJKZAU-JFIYKMOQSA-N 328.449 4.467 50 1 EIGF CC(C)CN(Cc1ccc(C#N)cc1Cl)C(=O)/C=C/[C@@H](C)Cl 103286583 CSRANZXITCXVPA-WXJAXGNASA-N 339.266 4.380 50 1 EIGF COC(C)(C)[C@H](Br)c1nc2cc(Cl)cc(C)c2[nH]1 586970809 JIKDNCPPCXGXGS-LLVKDONJSA-N 331.641 4.386 50 1 EIGF CC1=C(C#N)[C@H](c2sc3ccccc3c2C)[C@@H]2C(=O)CCC[C@H]2N1 73198345 OKWUXTVXQSAJEW-MNEFBYGVSA-N 336.460 4.432 50 1 EIGF CC(C)[Si](O[C@@]12CC[C@@H](C[C@@H]1O)C[C@H]2C(=O)O)(C(C)C)C(C)C 254136550 SRCNKDRSZASSMC-MUQADHOPSA-N 342.552 4.183 50 1 EIGF N#CSC[C@@H]1C[C@@](O)(c2ccccc2)C[C@H](c2ccc(F)cc2)O1 49783677 WAMFUOJWQQDDMD-OTWHNJEPSA-N 343.423 4.148 50 1 EIGF CC1=CC(=O)O[C@H](/C=C(\C)CC/C=C(\C)C2=CC(=O)C(C)(C)OO2)C1 238775897 OVUBAOWFQKWCAC-VIZHBWAJSA-N 346.423 4.114 50 1 EIGF CC(C)C[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541711 DEUHEYYCFDZTQF-QFBILLFUSA-N 346.810 4.378 50 1 EIGF C=C1CC[C@@H]2O[C@]2(C)CC[C@@H]2[C@H]1C[C@@]2(C)C(=O)C=CC(C)(C)OO 2356434736 CHWBJCXRMPJUJW-WLWDNUHBSA-N 334.456 4.310 50 1 EIGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](CC(C)(F)F)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 169342177 MPJSRZRJOSUUDI-JHRJWSCJSA-N 346.414 4.282 50 1 EIGF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](/C=C/C#N)CC[C@]12O 84632022 UPFHMXSYKCTNFB-VFNYCIAISA-N 343.511 4.201 50 1 EIGF COC(C)(C)[C@@H](Br)c1nc2ccc(Cl)c(C)c2[nH]1 586971725 WVKQSSISNHSUEX-NSHDSACASA-N 331.641 4.386 50 1 EIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCCCl)N1 587686607 VYKRXNZUCDQCIE-XPTSAGLGSA-N 334.660 4.357 50 1 EIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(C2(C)CC2)N1 587686706 DKYUHSVLVFAHGL-BJOHPYRUSA-N 346.671 4.357 50 1 EIGF C#C/C=C/C[C@@H](Cl)[C@H]1CC=CC[C@@H](Br)[C@@H](CC)O1 140104726 WMDYCUMSABQCMS-IWPOJOQMSA-N 331.681 4.451 50 1 EIGF C[C@@H]1CC[C@@H]2CCO[C@H]3O[C@@]4(CCc5ccccc5)CC[C@@H]1[C@]32OO4 195269268 GNMPJEQAJJPREJ-FZSNAYQGSA-N 344.451 4.235 50 1 EIGF Cc1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cnn1CCCl 587497692 KNPMOBWESQLJOK-GOSISDBHSA-N 344.842 4.016 50 1 EIGF CC[C@H](C)[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587542281 GKKHGNVNPUFSGH-JOKNJTHLSA-N 346.810 4.378 50 1 EIGF Cc1cccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)c1 204202274 YPWWAIFKQOMMKH-UHFFFAOYSA-N 338.451 4.198 50 1 EIGF CC1([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 587546262 VJZKZQIQVLSMPY-BEFAXECRSA-N 344.794 4.132 50 1 EIGF O=C(CCCl)Nc1c(-c2ccccc2)[nH]c2cccc([N+](=O)[O-])c12 587645155 XTRLPCHOPGZUNY-UHFFFAOYSA-N 343.770 4.311 50 1 EIGF Cc1ccnc2[nH]c([C@@H](C)c3ccc(CBr)cc3)nc12 586974255 UDVZEFKQKDLGKD-NSHDSACASA-N 330.229 4.313 50 1 EIGF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1ccccc1CCl 963607012 ISGABXMATXDBGX-CWTRNNRKSA-N 331.843 4.066 50 1 EIGF O=C(N/N=C1\CC2(CCCC2)Oc2ccccc21)Nc1ccccc1 1857651789 KFFBNNNGESYCIJ-OQKWZONESA-N 335.407 4.308 50 1 EIGF CC/C=C(C)/C=C/CCC[C@]1(OC)CC[C@H]([C@@H](C)C(=O)OC)OO1 14276653 MORRHHHLCADBJK-KVAOTEOASA-N 340.460 4.332 50 1 EIGF Cc1ccc(/C=N/NC(=O)CC(=O)c2ccc(C(C)(C)C)cc2)cc1 1857757635 ALRKLPGIRDNHQP-HYARGMPZSA-N 336.435 4.016 50 1 EIGF CCCc1c(O)ccc2c1O[C@@](CC)([C@@H](C)Br)CC2=O 587450006 CWDQMSUXVGQNDI-QLJPJBMISA-N 341.245 4.242 50 1 EIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCCCl)N1 587684396 KNXMIIONNOGZEI-YMTOWFKASA-N 334.660 4.357 50 1 EIGF CC(C=O)=CCC[C@H](C)CCOC(=O)C[C@H](C)CCC=C(C)C=O 2356584091 SOBOYKNHEAFZOH-DLBZAZTESA-N 336.472 4.433 50 1 EIGF CCCCC#CCSc1ccccc1OC(=O)CBr 13782095 LNBZOSZMSDXYFO-UHFFFAOYSA-N 341.270 4.273 50 1 EIGF CCCc1c(O)ccc2c1O[C@](CC)([C@@H](C)Br)CC2=O 587450002 CWDQMSUXVGQNDI-HWPZZCPQSA-N 341.245 4.242 50 1 EIGF Cc1sc2c(c1C)CCN[C@@]2(CCl)c1ccc2c(c1)CCC2 963019493 HQOBSXAIKSOQQK-IBGZPJMESA-N 331.912 4.482 50 1 EIGF COC(=O)C=C(C=O)CC[C@@H]1C(C)=CC(=O)[C@H]2C(C)(C)CCC[C@@]12C 2356738971 QEMRWXIMBVUYBG-PBEJRMEISA-N 346.467 4.043 50 1 EIGF COC(=O)N[N+](=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 149130838 ZYHCCMXZZJEYNG-UHFFFAOYSA-O 340.186 4.133 50 1 EIGF Cc1c(Br)cnc2[nH]c(/C(C#N)=C/c3ccccc3)nc12 587188657 UYIBLYHAMVTZFD-KPKJPENVSA-N 339.196 4.093 50 1 EIGF COc1ccc2c(c1)SC1=NC(c3ccccc3)=C/C(=C\C#N)N12 101595396 HYCBLXCSWDXOFK-NTEUORMPSA-N 331.400 4.425 50 1 EIGF COC(=O)[C@]1(C)CCC[C@@]2(C)c3ccc(C=CC=O)cc3CC[C@H]12 2356472590 CDFZXSDJSGQABC-SESVDKBCSA-N 326.436 4.082 50 1 EIGF CC1(C)CCC[C@@]2(C)[C@H]1C(=O)C(O)=C(C=O)[C@@H]2C=Cc1ccoc1 2356499880 KUZVESKWERRMKK-ZAAXVRCTSA-N 328.408 4.335 50 1 EIGF CC12CC3(C)CC(C)(C1)CC(NC(=O)N(CCCl)N=O)(C2)C3 4962446 RVKXSUCLMXKRLW-UHFFFAOYSA-N 327.856 4.057 50 1 EIGF Fc1ccc([C@@]23CCC[C@@H](OO[C@H](C4CCCCC4)OO2)O3)cc1 38158879 OKOXIGMRJRVPFZ-FGTMMUONSA-N 338.375 4.322 50 1 EIGF Cc1cccc(C)c1NC(=O)N/N=C/c1ccc(C(F)(F)F)cc1 149719139 WPZSCKLJSGBLPE-UFFVCSGVSA-N 335.329 4.478 50 1 EIGF C[C@H](Br)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587009043 TXHYHFSINSWWEI-VIFPVBQESA-N 332.201 4.393 50 1 EIGF C=C(CC[C@H](O)c1ccc(Cl)cc1)[C@@H]1COC2(CCCC2)OO1 43356638 DCUMUOKAYIEYGR-IRXDYDNUSA-N 338.831 4.327 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(CBr)cc1)O2 587376200 IFAOZOWUBDBAOE-INIZCTEOSA-N 346.224 4.179 50 1 EIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(C2(C)CC2)N1 587689112 PRAWSVLELKGQLV-RFAUZJTJSA-N 346.671 4.357 50 1 EIGF Cc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1 38883810 JVFOOYPQMZNPHZ-UHFFFAOYSA-N 338.451 4.198 50 1 EIGF O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H]2Cl)[C@@H]1c1ccc(F)cc1 587327087 DSQFCPFHNQMTSW-SCTDSRPQSA-N 346.785 4.420 50 1 EIGF CC1=CCC[C@]2(C)O[C@H]2CCC(C)=C[C@]2(OO)OC(=O)C(C)=C2CC1 2356451377 DVNVQQSZABWHRN-YSIASYRMSA-N 348.439 4.450 50 1 EIGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OC(C)(C)C)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 58601946 PIIQBEAIJBJGLJ-HNXPKNPUSA-N 340.460 4.010 50 1 EIGF CCCc1c(O)ccc2c1O[C@](CCl)(C(Cl)Cl)CC2=O 587457952 DYGUODZRZVOPIF-CQSZACIVSA-N 337.630 4.091 50 1 EIGF CC(C)(C)O[C@@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H]1Cl 587497995 HSRQPPCLJJNWOS-YVWKXTFCSA-N 348.870 4.464 50 1 EIGF COC(=O)C[C@]1(C)CC[C@]2(O1)C(C=O)=CC[C@H]1C(C)(C)CCC[C@@]12C 2356663606 OGEKQEVIKZDKAA-FIRPJDEBSA-N 348.483 4.219 50 1 EIGF CC[C@@H](/C=C/c1ccccc1)OC(=O)/C(C#N)=C/c1ccc(O)c(O)c1 103245075 BBISGANYDGKLDE-XQNZQLNDSA-N 349.386 4.040 50 1 EIGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](CC(C)(F)F)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169342172 MPJSRZRJOSUUDI-YPNBAGJNSA-N 346.414 4.282 50 1 EIGF CCCCCCCCCCN(NC(=O)COC)C(=O)OC(C)(C)C 96940456 UFKQEDSYKMNAKZ-UHFFFAOYSA-N 344.496 4.042 50 1 EIGF C=C1CC[C@@H](C(=C)C)C[C@H](O)[C@@]2(C)CC[C@@H](O2)C(=C)CC[C@@H]1OO 1857585159 LDSZQHNFGCMCQU-SWBPCFCJSA-N 336.472 4.412 50 1 EIGF C=C(C=O)[C@@H]1CC[C@@]2(C)CCC[C@@](C)(OC(=O)C(F)(F)F)[C@H]2C1 28469283 SMRVTGNDNFJOGY-OCVGTWLNSA-N 332.362 4.212 50 1 EIGF ClC[C@@]1(C2CCOCC2)NCCc2cc(-c3ccccc3)ccc21 962661439 ACDOGBCWGGLYFB-NRFANRHFSA-N 341.882 4.360 50 1 EIGF Cc1ccc([C@]2([C@@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587373548 RIQNCPJOQDQBFY-BFUOFWGJSA-N 329.827 4.374 50 1 EIGF COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3C[C@@H]4OO[C@]3(C=C4C(C)C)CC[C@H]21 96905597 NAAKMWGAXDJMGM-ZGGBOCJMSA-N 348.483 4.437 50 1 EIGF COc1ccc(Cl)cc1C#Cc1ccc(SC#N)c([N+](=O)[O-])c1 587919425 ONWYVKZYFUSPRC-UHFFFAOYSA-N 344.779 4.230 50 1 EIGF Cc1cccc(C(=O)NN(C(=O)c2ccccc2Cl)C(C)(C)C)c1 103178250 RDWXMEGZBSTSGK-UHFFFAOYSA-N 344.842 4.234 50 1 EIGF CC1(C)C[C@H](Cl)CN(CCCN2C[C@@H](Cl)CC(C)(C)C2)C1 299871171 XYVHPHDLKIDRII-GJZGRUSLSA-N 335.363 4.055 50 1 EIGF COc1cc2c3c(c1)O[C@](C)([C@@H](Cl)c1ccc(F)cc1)[C@@H](C2)C3=O 587427921 JZVNLPAMJQOQLB-JVPBZIDWSA-N 346.785 4.321 50 1 EIGF CC[C@@]1(CCCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587683987 IUNRYHWITKYUSK-XPTSAGLGSA-N 334.660 4.357 50 1 EIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@@H]2Cl)N1 587703143 FVIDULVVPBOGQO-YKHWKNEFSA-N 332.644 4.109 50 1 EIGF O=CC1=C(Cl)[C@H]([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CCC1 587499094 LAPVYHILFMYDSI-FUHWJXTLSA-N 344.838 4.391 50 1 EIGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(C)(C)C)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169371357 PIIQBEAIJBJGLJ-JQLUWMRHSA-N 340.460 4.010 50 1 EIGF CC(C)C[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541710 DEUHEYYCFDZTQF-LPHOPBHVSA-N 346.810 4.378 50 1 EIGF CC1(C)[C@H](Br)C(=O)CC2=C[C@]3(C)CC[C@]21C[C@@H]3Cl 2356306584 OJKFQCDETMADCU-NEBZKDRISA-N 331.681 4.473 50 1 EIGF O=C(Oc1ccccc1Cl)c1cc2cc(CCl)ccc2oc1=O 13676408 WCCAKZCITWJNFU-UHFFFAOYSA-N 349.169 4.404 50 1 EIGF CCC=C(C)C=CCCC[C@]1(OC)C[C@@H](C)[C@@H](CC(=O)OC)OO1 2356436461 MMZGNYMATSQASW-ZHALLVOQSA-N 340.460 4.332 50 1 EIGF Cc1c(Br)ccc2nc(/C=C\CBr)[nH]c12 586972458 RWUVKLZQWKJTSU-IHWYPQMZSA-N 330.023 4.042 50 1 EIGF CC(C)(F)[C@H](Br)c1nc2cc(C#N)cc(Cl)c2[nH]1 587087876 XRTFDIVASXTFRG-SNVBAGLBSA-N 330.588 4.272 50 1 EIGF O[Si@@](CCCN1CCCCC1)(c1ccc(F)cc1)C1CCCCC1 1857622171 ZNSZQJHTFRQUPD-XMMPIXPASA-N 349.566 4.181 50 1 EIGF COc1ccc(Cl)cc1C#Cc1ccc(CBr)cn1 587898891 UBVFJFDGAYMULU-UHFFFAOYSA-N 336.616 4.038 50 1 EIGF C=CC=CC=CC=CC=CC=CC=CC[C@@H]1C[C@H](CC(=O)O)OO1 2356524567 JSGYAPYVMBOAFU-RTBURBONSA-N 328.408 4.464 50 1 EIGF c1ccc(CNCC2CCC3(CC2)OOC2(CCCCC2)OO3)cc1 43620325 HGFBTZPSCWWRLU-UHFFFAOYSA-N 347.455 4.233 50 1 EIGF C#C/C=C\C[C@@H](Cl)[C@H]1CC=CC[C@H](Br)[C@@H](CC)O1 144712334 WMDYCUMSABQCMS-UUWYXKTNSA-N 331.681 4.451 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCCCCl)cc1)O2 587374177 HGVOAUFDKRLVDC-SFHVURJKSA-N 345.826 4.291 50 1 EIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@@H]2Cl)N1 587707267 VCHFUVSZIFJOFY-NKZPBKNFSA-N 346.671 4.499 50 1 EIGF O=[S@]1c2ccccc2-c2cc(N(CCCl)CCCl)ccc21 253794683 XQRMEPJRJZAERV-NRFANRHFSA-N 340.275 4.118 50 1 EIGF COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)([C@H](C)Cl)[C@@H](C2)C3=O 587416643 BUNPDCHZFKKITD-SLSDUTBNSA-N 342.822 4.274 50 1 EIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@H]2Cl)N1 587706881 SFPPLKNVHGATLP-DDHOLCJHSA-N 346.671 4.499 50 1 EIGF COc1ccc(Cl)cc1C#Cc1ccc(NC(=O)CCl)c(C)c1 587902269 PCSQAZOGPBPEDB-UHFFFAOYSA-N 348.229 4.234 50 1 EIGF CC(C=O)=CCC[C@H](C)CCOC(=O)C[C@@H](C)CCC=C(C)C=O 2356584093 SOBOYKNHEAFZOH-IRXDYDNUSA-N 336.472 4.433 50 1 EIGF CCO[C@H]1C[C@]2(C)C(=O)[C@H](Cl)C[C@H]2[C@@H]2CCc3cc(O)ccc3[C@@H]12 13651532 UFPKXMFJVQAKCT-FMWJIXOUSA-N 348.870 4.050 50 1 EIGF Cn1c2c(c3ccccc31)[C@H]1CCCCCC[C@H]1[C@@H]1C(=O)OC(=O)[C@@H]21 195506224 PLPKUGCPCLWSFX-RUZGCFLTSA-N 337.419 4.029 50 1 EIGF Cc1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cnn1CCCl 587497693 KNPMOBWESQLJOK-SFHVURJKSA-N 344.842 4.016 50 1 EIGF Cc1nc(C)c([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)o1 587499610 WHJWRZFJDTXSJL-LJQANCHMSA-N 345.826 4.270 50 1 EIGF CO[C@H]1C[C@]2(C)/C(=C/C#N)CC[C@H]2[C@@H]2CC[C@H]3C[C@H](O)CC[C@]3(C)[C@@H]12 1772652723 NDRWXFUZQPBELD-INGLSRJASA-N 343.511 4.465 50 1 EIGF COc1cc2c3c(c1)O[C@](C)(c1ccc(CCCl)cc1)[C@@H](C2)C3=O 587419630 FMNVREXANQKHTG-OXJNMPFZSA-N 342.822 4.139 50 1 EIGF CC=CC=CCCCCC[C@]1(OC)C[C@H](C)[C@@H](CC(=O)O)OO1 2356791171 GMKKZJOYHLHRNP-LZLYRXPVSA-N 326.433 4.243 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCCC[C@@H]1Br)O2 587371934 IGSYRRLIMOATNC-GOEBONIOSA-N 338.245 4.009 50 1 EIGF N#CSC[C@@H]1C[C@@](O)(c2ccccc2)C[C@H](c2ccccc2)O1 49112653 WIEIKACUUNKAQD-OTWHNJEPSA-N 325.433 4.009 50 1 EIGF C[C@]1(CCCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587325892 HLSGWHRSPRMAMK-SJLPKXTDSA-N 334.774 4.278 50 1 EIGF CC/C=C(C)\C=C\CCC[C@]1(OC)CC[C@@H]([C@@H](C)C(=O)O)OO1 85772498 JTPFZCWDSAHJHT-JEOXLYHASA-N 326.433 4.243 50 1 EIGF C#C/C=C/C/C=C\C[C@H]1O[C@@H]([C@H](Br)CC)C[C@H]1Cl 95909814 CUPRGZVKNKNTTN-WYFGPXKGSA-N 331.681 4.451 50 1 EIGF biogenic,in-vitro CC[C@H](C)O[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 96907595 ZFSKXNMXUQMSTB-YPSDETNTSA-N 340.460 4.010 50 1 EIGF BrC/C=C/c1nc2c3cccnc3c3ncccc3c2[nH]1 586974703 YOXZMWAKYBNXDO-LZCJLJQNSA-N 339.196 4.067 50 1 EIGF COc1cc2c3c(c1)O[C@@](c1ccc(F)cc1)([C@H](C)Cl)[C@@H](C2)C3=O 587426209 AQSKKIYUSQAYGY-WBUIGNHESA-N 346.785 4.105 50 1 EIGF CC(C)(C)O[C@@H]1C[C@]2(c3ccc(F)cc3C[C@@H]3CCCN32)[C@@H]1Cl 963117246 XZICMSNTSMDOKU-WFEDQXDTSA-N 337.866 4.236 50 1 EIGF C=C1CC[C@@H](C(=C)C)C[C@@H](O)[C@@]2(C)CC[C@@H](O2)C(=C)CC[C@@H]1OO 2356794377 LDSZQHNFGCMCQU-OUUBHVDSSA-N 336.472 4.412 50 1 EIGF Cc1cc(C)c2c3c(sc2n1)[C@H](c1ccccc1)C(C#N)=C(N)O3 377187 GZUOTRVJWDNTPO-OAHLLOKOSA-N 333.416 4.131 50 3 EIGF CC(C)(C=CC[C@]1(C)CC[C@]2(C)O[C@@H]2CC[C@](C)(O)[C@H]2C[C@H]21)OO 2356753091 QVXHUQXNTXETOI-ZZLHTRIOSA-N 338.488 4.326 50 1 EIGF CC1(C)O[C@@](C)(/C=C/Cl)[C@@H](Br)C[C@@H]1Br 140311361 UKJVBIAAYSSDNV-WYOYIEJBSA-N 346.490 4.224 50 1 EIGF CC(C=CC=O)=C1C(=O)C[C@@H]2[C@]1(C)CC[C@H]1C(C)(C)C(=O)CC[C@]21C 2356802632 SMOCCDQLCDXRAO-FHQLIMNDSA-N 342.479 4.459 50 1 EIGF CC(=O)O[C@@H]1/C(C=O)=C/C/C=C(/C)C[C@@H](O)[C@H]1[C@H](C)CCC=C(C)C 238781067 PFLUUKDRZGYDSO-LMTHBSKCSA-N 348.483 4.143 50 1 EIGF COc1cc2c3c(c1)OC(CCCCl)(CCCCl)[C@@H](C2)C3=O 587424101 XGJGSCJJSCPHIN-ZDUSSCGKSA-N 343.250 4.219 50 1 EIGF CC(C)=C(C=O)CC[C@@H]1C(=O)CC[C@@H]2[C@](C)(C(=O)O)CCC[C@@]12C 2356421422 JWQFSZPHDJUDSP-DJABAAGCSA-N 334.456 4.178 50 1 EIGF COC(C)(C)[C@H](Br)c1nc2cc(C)c(Cl)cc2[nH]1 586971305 QVJUNASJTLQHSS-LLVKDONJSA-N 331.641 4.386 50 1 EIGF COc1cc2c3c(c1)O[C@@](C)([C@H](Cl)c1ccccc1)[C@@H](C2)C3=O 587418723 VAXKQWVRGLZIPL-GDIGMMSISA-N 328.795 4.181 50 1 EIGF CC1(C)CC(=O)[C@H](Cl)[C@]2(C1)c1c(F)cccc1C[C@@H]1CCCN12 963100700 KPLRQTBRXJRGRW-IXDGSTSKSA-N 335.850 4.038 50 1 EIGF C=C1CCC2=C(C)C(=O)O[C@@H]2C=C(C)CC[C@@H]2O[C@@]2(C)CC[C@@H]1OO 2356552438 QJIDMGCCWQEXAG-DMUMMCEESA-N 348.439 4.101 50 1 EIGF COC(=O)C[C@@H]1OO[C@@](C)(/C(C)=C/C=C/Cc2ccccc2)C[C@H]1C 49853722 ZCPLBHZTIUDJKV-CDATVAOKSA-N 344.451 4.410 50 1 EIGF Cc1cc(C)cc(C(=O)N(NC(=O)C2CCCCC2)C(C)(C)C)c1 103214525 DGCNMOTXBLIYJG-UHFFFAOYSA-N 330.472 4.156 50 1 EIGF CC1([C@@H]2OO[C@H]3[C@@H]4CC[C@@H](C4)[C@@]3(c3ccccc3)OO2)CCCC1 169313819 JUVNKQTXBABKMQ-GIYWUFHFSA-N 330.424 4.497 50 1 EIGF C=C(CO)[C@@H]1CC[C@@](C)(OO)/C=C\C/C(C)=C\CC/C(C)=C/[C@@H]1O 195241200 HGPWGHBBMMTDTA-FVXSLPLGSA-N 336.472 4.173 50 1 EIGF CCC[C@@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587688698 NFIUGAVEGINIFM-OTYXRUKQSA-N 334.660 4.357 50 1 EIGF C=C(CC[C@H](O)c1ccc(Cl)cc1)[C@H]1COC2(CCCC2)OO1 43356640 DCUMUOKAYIEYGR-DLBZAZTESA-N 338.831 4.327 50 1 EIGF CCCCCCCC(=O)N/N=C\c1ccc(Br)cc1 70462936 MMENZDHNVDPIIS-ATVHPVEESA-N 325.250 4.260 50 1 EIGF C#C/C=C\C[C@@H]1O[C@@H](CC)[C@H](Br)C/C=C\C[C@H]1Cl 238768438 XNLVYZURWKMAIT-WZXPDODCSA-N 331.681 4.451 50 1 EIGF COC(=O)c1cc(Cl)c2[nH]c(/C(C#N)=C/c3ccccc3)nc2c1 587188418 RXASKWIMAAVJEV-NTUHNPAUSA-N 337.766 4.067 50 1 EIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@H]2Cl)N1 587704950 LOSRKROZYALTQN-GFWSLJDESA-N 332.644 4.109 50 1 EIGF COc1ccc2c(c1)[C@H](c1ccc(OCCCl)cc1)N[C@H]1CC[C@H]21 962991916 GBMQSARKCXLFSV-HOJAQTOUSA-N 343.854 4.251 50 1 EIGF C=C(C)C(=O)C(Cl)=C[C@](C)(Cl)[C@H](Br)CCl 2356477698 FGDONCJPOYFCKW-SCZZXKLOSA-N 334.468 4.254 50 1 EIGF C=C(C)[C@@H]1C[C@H](O)C(C)=CCCC(=C)[C@H](OO)CC[C@]2(C)O[C@@H]2C1 2356532776 XRZMOXDNLVHOGQ-IVDHNXQLSA-N 336.472 4.412 50 1 EIGF C#C/C=C/C[C@@H]1O[C@@H]([C@@H](Br)CC)CC=CC[C@@H]1Cl 140642965 BWALZYVILRSXNY-SWZCIWEESA-N 331.681 4.451 50 1 EIGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCC[C@@H]2Cl 587545783 HOYSVPZKSIMNEE-BXWFABGCSA-N 344.794 4.274 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)([C@@H](C)Cl)O2 587383761 GDIMLZQBBAUEAO-ADLMAVQZSA-N 333.790 4.204 50 1 EIGF Cc1ccc(/C=C(\C#N)c2nc3cc(Br)ncc3[nH]2)cc1 587188823 XFPUYOAJTHLQFM-WUXMJOGZSA-N 339.196 4.093 50 1 EIGF FC(F)(F)Oc1cc2nc(CBr)[nH]c2cc1Cl 586972446 RLLITOXLYFORLJ-UHFFFAOYSA-N 329.503 4.010 50 1 EIGF O=C(N/N=C/c1ccccc1O)c1coc2c(Cl)cc(Cl)cc12 73313421 JAVQLRYLUPKWHK-FBCYGCLPSA-N 349.173 4.209 50 1 EIGF Cc1nccc2[nH]c([C@@H](C)c3ccc(CBr)cc3)nc12 586973020 FAZHWQHZZQOWBG-JTQLQIEISA-N 330.229 4.313 50 1 EIGF COc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1CCl 587376844 UFIGRJUEGDMWSG-LJQANCHMSA-N 345.826 4.205 50 1 EIGF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(N=C=O)c1)CC2=O 587466690 AZQHTFVJWADRFG-HXUWFJFHSA-N 337.375 4.193 50 1 EIGF Cn1ccc([C@]2(CCl)NCCc3cccc(-c4ccccc4)c32)c1 962662953 NBLGCJGTISLVOG-NRFANRHFSA-N 336.866 4.320 50 1 EIGF CCCCCCC1CCC(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)CC1 1857748621 AIIULLAPZVGYEI-CPNJWEJPSA-N 349.431 4.415 50 1 EIGF CC(C)(F)[C@@H](Br)c1nc2c(Cl)cnc(Cl)c2[nH]1 587087613 RXFQCXRJUWSKNV-ZETCQYMHSA-N 341.011 4.449 50 1 EIGF CC[C@@H]1OC(=O)CCCCCCCC=C[C@@H]2[C@H](O)[C@@H](Cl)C[C@@H]12 2356416855 HXFOJGYVWJVNOO-IWSXDTNSSA-N 328.880 4.213 50 1 EIGF CCCCCCC(=O)N(NC(=O)c1ccc(CC)cc1)C(C)(C)C 39158524 IXNDOCQGQVUSIL-UHFFFAOYSA-N 332.488 4.491 50 1 EIGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](CCl)(c2c(C)noc2C)N1 962946208 KTIMARFEYRNTPC-ORAYPTAESA-N 343.858 4.179 50 1 EIGF Cn1c2c(c3ccccc31)[C@H]1CCCCCC[C@H]1[C@H]1C(=O)OC(=O)[C@H]21 195506217 PLPKUGCPCLWSFX-DECQCQTCSA-N 337.419 4.029 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCl)(c1ccccc1F)O2 587384136 AYYHYKOWXLKWQM-SFHVURJKSA-N 333.790 4.206 50 1 EIGF CCCCOC(=O)O[C@H]1CC[C@@]2(C)C[C@H]3CC[C@@]2(OO3)C1(C)C 253696915 PGXROGJUTKCNEB-IDCJVQTKSA-N 326.433 4.388 50 1 EIGF COC(C)(C)[C@H](Br)c1nc2cc(Cl)cc(F)c2[nH]1 586970982 JNEYVURBPWLOBI-SNVBAGLBSA-N 335.604 4.216 50 1 EIGF Cc1ccc([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 587372909 NQJITHYSPROXTA-LJQANCHMSA-N 329.827 4.294 50 1 EIGF CC1([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 587546267 VJZKZQIQVLSMPY-KXBFYZLASA-N 344.794 4.132 50 1 EIGF C=C1CCC2=C(C)C(=O)O[C@@H]2C=C(C)CC[C@@H]2O[C@]2(C)CC[C@H]1OO 2356552439 QJIDMGCCWQEXAG-FTEYMNFISA-N 348.439 4.101 50 1 EIGF CC(C)(F)[C@@H](Br)c1nc2cc(F)c(F)c(F)c2[nH]1 587087287 OBEFLEGIVVSZIR-VIFPVBQESA-N 325.103 4.164 50 1 EIGF Cc1ccc([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 587372908 NQJITHYSPROXTA-IBGZPJMESA-N 329.827 4.294 50 1 EIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(C2(C)CC2)N1 587689111 PRAWSVLELKGQLV-PSLIRLAXSA-N 346.671 4.357 50 1 EIGF C=C1CC[C@@H]2O[C@]2(C)CCC2=C(C)C(=O)O[C@@H]2C=C(C)CC[C@@H]1OO 2356799025 TWYIJBKQWSDBOO-HLNWXESRSA-N 348.439 4.101 50 1 EIGF CC1=C(C/C=N/NC(=O)CCCCCCC(=O)O)C(C)(C)CCC1 95809000 ITHYHYCGASMFPI-XSFVSMFZSA-N 336.476 4.430 50 1 EIGF N#C/C(=C/c1ccc(O)c(O)c1)c1nc(-c2ccc(C#N)cc2)cs1 587921765 XXQSJKCUKVCGCL-CHHVJCJISA-N 345.383 4.157 50 1 EIGF COc1cccc2c3c(cnc12)CCN[C@@]31[C@@H](Cl)CCC1(C)C 963047387 OXPNRFJEPBBGRP-KXBFYZLASA-N 330.859 4.012 50 1 EIGF CC=CC=CC=C(C=O)[C@H](OCc1c(O)cccc1CCC)C(C)=O 2356375098 PKFDPDJJEWMKLV-OAQYLSRUSA-N 342.435 4.077 50 1 EIGF C#CC=CCC=CC[C@@H]1O[C@H](CC)[C@H](Br)C[C@H]1Cl 2356497222 FXXNVLKJOSSFCK-TUVASFSCSA-N 331.681 4.451 50 1 EIGF CC(C)(C)O/C=C1/C(=O)O[C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]12 195516428 NZOSXMAUPPFBKC-BVTCCMQFSA-N 340.536 4.411 50 1 EIGF C[C@@H]1C(=O)C[C@@H](c2ccccc2)N(C(=O)CCl)[C@H]1c1ccccc1 103294655 WPSDPHFTZGWJHI-CFLQYTFWSA-N 341.838 4.145 50 1 EIGF C[C@@H]1CC[C@H]2CCO[C@H]3O[C@@]4(CCc5ccccc5)CC[C@@H]1[C@@]23OO4 195269279 GNMPJEQAJJPREJ-OZUWIIFOSA-N 344.451 4.235 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(CBr)c1)O2 587378951 XISIHOFQCWWZNJ-INIZCTEOSA-N 346.224 4.179 50 1 EIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(C2(C)CC2)N1 587686711 DKYUHSVLVFAHGL-VFZGTOFNSA-N 346.671 4.357 50 1 EIGF COc1ccc(Cl)cc1C#Cc1ccc(-c2nnc(CCl)o2)o1 587912013 BYNVQLNMILVRDO-UHFFFAOYSA-N 349.173 4.130 50 1 EIGF N#CC(/N=C/c1cccs1)=C(\C#N)NCc1c(F)cccc1Cl 3185932 QDEKHCGWPSJCRF-KYPNPXLKSA-N 344.802 4.008 50 1 EIGF CCCCNc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OC)c1 38153946 RUZDFKXYCKEOKM-HXUWFJFHSA-N 349.434 4.125 50 1 EIGF N#CC1=C2Sc3ccccc3N2C(=N)[C@H](C#N)[C@@H]1c1ccccc1 169688639 BALHLZUFXCQHNV-DYVFJYSZSA-N 328.400 4.248 50 1 EIGF C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1[C@@H]1C[C@H](C=O)C[C@@H](O)OO1 2356667910 VUWOGLPICKGRDI-DOZWFGMRSA-N 336.472 4.029 50 1 EIGF C/C(=C\COc1cc(O)cc2oc(=O)ccc12)C/C=C\C(C)(C)OO 238783807 ZJGDUKAUVBWMKG-NTHABNPXSA-N 346.379 4.038 50 1 EIGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](CCl)(c2c(C)noc2C)N1 962946206 KTIMARFEYRNTPC-DJJJIMSYSA-N 343.858 4.179 50 1 EIGF CC/C=C(C)\C=C\CCC[C@]1(OC)C[C@H](C)[C@H](CC(=O)OC)OO1 216629361 MMZGNYMATSQASW-FUHJJABMSA-N 340.460 4.332 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(C1CCC(F)(F)CC1)O2 587383898 XCKJYCSOHCPOGQ-MRXNPFEDSA-N 343.801 4.346 50 1 EIGF CCc1ccc(C(=O)NN(C(=O)C2CCCCC2)C(C)(C)C)cc1 103185989 SAVLLEAYQBDKCR-UHFFFAOYSA-N 330.472 4.101 50 1 EIGF C[C@H](c1ccc(CBr)cc1)c1nc2cccc(C#N)c2[nH]1 586973784 ONNZASPBBGFAGH-LLVKDONJSA-N 340.224 4.481 50 1 EIGF CN1CCc2cc(Cl)c(O)cc2[C@H](c2cccc(N=C=S)c2)C1 4631278 WTWCYPGMQVAHAF-INIZCTEOSA-N 344.867 4.400 50 1 EIGF N#C/C(C(=O)Nc1ccc(Cl)cc1)=C(/O)c1ccc(Cl)cc1 100876792 FXNXLIPPCADFKS-PFONDFGASA-N 333.174 4.425 50 1 EIGF CC1=CCC[C@]2(C)O[C@H]2CCC(C)=C[C@@]2(OO)OC(=O)C(C)=C2CC1 2356451376 DVNVQQSZABWHRN-IHPCNDPISA-N 348.439 4.450 50 1 EIGF COOC1(OOCCC(=O)OC)CCCCCCCCCCC1 38158834 RKAQVBPHERBCCO-UHFFFAOYSA-N 332.437 4.077 50 1 EIGF CC1=C[C@H](O)C[C@](C)(O)C=C[C@H](C(C)C)CC[C@](C)(OO)C=CC1 2356710393 BZHRGVRKTVGYGR-VNTMZGSJSA-N 338.488 4.252 50 1 EIGF COc1cc2c3c(c1)O[C@](C)([C@@H](Cl)c1ccccc1)[C@@H](C2)C3=O 587418728 VAXKQWVRGLZIPL-JVPBZIDWSA-N 328.795 4.181 50 1 EIGF CN1Cc2c(NC(=O)OCCCl)cccc2[C@H](c2ccccc2)C1 33641837 JBUMIENRXVFESF-INIZCTEOSA-N 344.842 4.051 50 1 EIGF COCCN(C(=O)CCl)C(=C(C)C)c1ccc(C(C)(C)C)cc1 103193388 WYTDYHCEKCMMJV-UHFFFAOYSA-N 337.891 4.449 50 1 EIGF CC1(C)C[C@H](OCCBr)[C@]23CC[C@@H](O)[C@@](C)(CC[C@@H]12)C3 103218410 HGAJAVYGWDIQDA-AUOOEQCUSA-N 345.321 4.144 50 1 EIGF Fc1ccc([C@@H]2OO[C@H]3[C@@H]4CC[C@@H](C4)[C@@]3(c3ccccc3)OO2)cc1 169313728 LDDQLKCZGVEWLE-IZHFEEFNSA-N 342.366 4.428 50 1 EIGF O=C(CCCCCBr)c1coc2cc([N+](=O)[O-])ccc12 587279547 KWTFORUBACOMIX-UHFFFAOYSA-N 340.173 4.479 50 1 EIGF CCC[C@@H](C(=O)/C(O)=C1\C=CC=CC1=O)c1ccc(CCCl)cc1 169315501 DNPGPSNGQCHLBC-SBCIHWNMSA-N 344.838 4.428 50 1 EIGF Cc1cc([C@@]2(CCl)NCCc3ccc(F)c(C)c32)c(F)cc1F 962143003 HQGKDKKHWGAMLB-GOSISDBHSA-N 339.788 4.349 50 1 EIGF CO[C@]1(C)CC[C@]2(C[C@@H]1Br)C(C)=CC(=O)CC2(C)C 2356793066 GZUQINXJGNTWHU-IMJJTQAJSA-N 329.278 4.271 50 1 EIGF CC1=C(C#N)[C@@H](c2ccc(F)cc2F)C(C(=O)OC(C)(C)C)=C(C)N1 58569296 CJMJCYNEEIIMMY-QGZVFWFLSA-N 346.377 4.065 50 1 EIGF C=C1CC[C@@H]2O[C@]2(C)CC[C@@H]2[C@H]1C[C@]2(C)C(=O)C=CC(C)(C)OO 2356434734 CHWBJCXRMPJUJW-KZXACLCXSA-N 334.456 4.310 50 1 EIGF CCOC(=O)c1ccc2nc(/C(C#N)=C\c3ccc(C)cc3)[nH]c2c1 587188830 XLIMDDUSCDAIQO-YBEGLDIGSA-N 331.375 4.112 50 1 EIGF CCCC1=C(C(=O)OC)[C@H](c2ccccc2Cl)C(C#N)=C(C)N1 62224659 RNQOQGINTAOCKX-MRXNPFEDSA-N 330.815 4.052 50 1 EIGF CC[C@@H]1OC(=O)CCCCCCCC=C[C@H]2[C@H]1C[C@@H](Cl)[C@@H]2O 299808055 HXFOJGYVWJVNOO-VNIVASGNSA-N 328.880 4.213 50 1 EIGF CN1CCc2cc(Cl)c(O)cc2[C@@H](c2cccc(N=C=S)c2)C1 3948950 WTWCYPGMQVAHAF-MRXNPFEDSA-N 344.867 4.400 50 1 EIGF CC1([C@H]2OO[C@H]3[C@@H]4CC[C@@H](C4)[C@@]3(c3ccccc3)OO2)CCCC1 169313820 JUVNKQTXBABKMQ-SORZXXQLSA-N 330.424 4.497 50 1 EIGF COC(=O)C[C@]1(C)CC[C@@]2(O1)C(C=O)=CC[C@H]1C(C)(C)CCC[C@@]12C 238754003 OGEKQEVIKZDKAA-LRGNLBRXSA-N 348.483 4.219 50 1 EIGF C#C/C=C\C[C@H]1OO[C@@H]([C@@H](Br)CC)C/C=C\C[C@H]1Cl 238780737 FWWSEQPHLDAZQV-GPLNWUCESA-N 347.680 4.382 50 1 EIGF C[C@H](c1ccc(CBr)cc1)c1nc2cc(F)cnc2[nH]1 586974543 XSSTUHUATJTPNN-SECBINFHSA-N 334.192 4.144 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc3c(c1)CCC3)O2 587371574 GWVFJOCYTMZPGO-FQEVSTJZSA-N 341.838 4.165 50 1 EIGF CC1=CCC[C@]2(C)O[C@H]2CC[C@@](C)(OO)C=C2OC(=O)C(C)=C2CC1 2356801943 RVHQUWJWVRJFMS-SXLOBPIMSA-N 348.439 4.450 50 1 EIGF C#C/C=C\C[C@@H]1O[C@H](CC)[C@@H](Br)C/C=C\C[C@@H]1Cl 59271380 XNLVYZURWKMAIT-WVZXMNBZSA-N 331.681 4.451 50 1 EIGF CCCc1c(O)ccc2c1O[C@](CC)([C@H](C)Br)CC2=O 587450005 CWDQMSUXVGQNDI-QFYYESIMSA-N 341.245 4.242 50 1 EIGF Cc1ccc(NC(=O)N/N=C/c2ccc(Br)cc2)c(C)c1 149714489 MRANQLQWDAFKSE-VCHYOVAHSA-N 346.228 4.222 50 1 EIGF CC(=O)O[C@@H]1/C(C=O)=C\C/C=C(/C)C[C@@H](O)[C@H]1[C@H](C)CCC=C(C)C 238745775 PFLUUKDRZGYDSO-QAAFQWCRSA-N 348.483 4.143 50 1 EIGF COC(=O)C=C(C=O)CC[C@@H]1C(C)=CC(=O)[C@@H]2C(C)(C)CCC[C@@]12C 2356738968 QEMRWXIMBVUYBG-BSIFCXSSSA-N 346.467 4.043 50 1 EIGF C=C(C)C(=O)/C(Cl)=C/[C@](C)(Cl)[C@H](Br)CCl 5158149 FGDONCJPOYFCKW-SDXJJSEUSA-N 334.468 4.254 50 1 EIGF C=C1[C@H]2c3ccccc3[C@@H](C[C@@]2(C)O[Si](C)(C)C)N1C(=O)OC 195374136 HFZWBBKBCFMTGA-SOLBZPMBSA-N 331.488 4.421 50 1 EIGF COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)ccc1C)[C@@H](C2)C3=O 587418771 VGQQOJNPJFAFLF-OXJNMPFZSA-N 342.822 4.194 50 1 EIGF CS(=O)(=O)c1ccc2[nH]c(CCl)c(-c3ccccc3F)c2c1 587648866 BTURMIBCVFPJIB-UHFFFAOYSA-N 337.803 4.116 50 1 EIGF Cc1cc2c(cc1Br)[C@]1(C)CC[C@](C)(OO)[C@@]1(C)O2 2356790416 FNWOQLFZFOMWOI-KKUMJFAQSA-N 327.218 4.208 50 1 EIGF C#C/C=C/C[C@@H]1O[C@H](CC)[C@@H](Br)C/C=C\C[C@@H]1Cl 59271382 XNLVYZURWKMAIT-OKDMDNQBSA-N 331.681 4.451 50 1 EIGF C#C/C=C/C[C@H]1O/C(=C(\Br)CC)C[C@H]2O[C@H]2C[C@H]1Cl 14827987 IPGHQCSIHTZTOJ-STNMOHHVSA-N 345.664 4.136 50 1 EIGF Cc1c(F)ccc2c1[C@@](CSC#N)(c1ccccc1Cl)NCC2 962150214 YANOBZHAFIRBSM-GOSISDBHSA-N 346.858 4.391 50 1 EIGF COC(C)(C)[C@@H](Br)c1nc2cc(Cl)cc(C)c2[nH]1 586970811 JIKDNCPPCXGXGS-NSHDSACASA-N 331.641 4.386 50 1 EIGF CCc1ccc([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)s1 587411314 SFJCSNVLUOWVKQ-QGZVFWFLSA-N 335.856 4.301 50 1 EIGF O=C1C[C@@]2(CCC[C@@H]2Br)Oc2c1ccc1c2CCCC1 587495210 CBVOXAFVVLDXFV-DOTOQJQBSA-N 335.241 4.217 50 1 EIGF C#C/C=C/C[C@@H]1O[C@@H](CC)[C@H](Br)C/C=C\C[C@@H]1Cl 165973109 XNLVYZURWKMAIT-MVHNAPEUSA-N 331.681 4.451 50 1 EIGF O=C(CCCl)Nc1c(-c2ccccc2)[nH]c2c(C(=O)O)cccc12 587638800 QIPNZIPSXOAHEY-UHFFFAOYSA-N 342.782 4.101 50 1 EIGF CC1=C(C#N)[C@@](C)(c2ccc(F)cc2)C(C(=O)OC(C)(C)C)=C(C)N1 58568424 WAWIBIZHQRQPHD-HXUWFJFHSA-N 342.414 4.100 50 1 EIGF Cc1ccc([C@@]2([C@@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587373562 RIQNCPJOQDQBFY-YJYMSZOUSA-N 329.827 4.374 50 1 EIGF Cc1noc(C)c1[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587496844 GHAOGQRTUZXOGS-IBGZPJMESA-N 345.826 4.270 50 1 EIGF CO[C@]1(C)CC[C@@]2(C[C@H]1Br)C(C)=CC(=O)CC2(C)C 2356793065 GZUQINXJGNTWHU-FVQBIDKESA-N 329.278 4.271 50 1 EIGF CCC[C@H](C(=O)/C(O)=C1\C=CC=CC1=O)c1ccc(CCCl)cc1 169315502 DNPGPSNGQCHLBC-BWGFTNSASA-N 344.838 4.428 50 1 EIGF CC1=CCCC(C=O)=CCC[C@H](C(=O)O)[C@H]2C[C@@H](CC1)C(C)(C)O2 2356546749 QXVKGHACURAACX-FGTMMUONSA-N 334.456 4.297 50 1 EIGF CC1=C[C@@H]2OC(=O)C(C)=C2CC[C@]2(C)O[C@H]2CC[C@@](C)(OO)C=CC1 2356803456 XCPZVIVLBYIURX-ZULIPRJHSA-N 348.439 4.101 50 1 EIGF CC1(C)Oc2c(c3nccnc3c3ccccc23)C[C@H]1Br 40584385 YFDAWLASGSASEV-CYBMUJFWSA-N 343.224 4.260 50 1 EIGF Cc1cc2c(cc1Br)[C@]1(C)CC[C@@](C)(OO)[C@@]1(C)O2 2356790418 FNWOQLFZFOMWOI-ZNMIVQPWSA-N 327.218 4.208 50 1 EIGF NC(=O)N/N=C\c1ccc(Oc2ccc(-c3ccccc3)cc2)cc1 40488588 JOTHCUVTNGGEON-HMAPJEAMSA-N 331.375 4.148 50 1 EIGF O=C(N/N=C/c1ccc(O)cc1)c1coc2c(Cl)cc(Cl)cc12 73310619 NHNRFHRYAGHZQN-FBCYGCLPSA-N 349.173 4.209 50 1 EIGF C[C@]12CC(C=O)=C(O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@@](C)(O)[C@@]3(C)CC[C@H]12 78568020 PUQUTIRPHMRPJS-ZPRQWLIFSA-N 332.484 4.401 50 1 EIGF Cc1ccc(/C=C(\C#N)c2nc3cc(Br)cnc3[nH]2)cc1 587188820 XFMDJWNUBXVRFT-WUXMJOGZSA-N 339.196 4.093 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H](Cl)c1ccc(F)cc1)O2 587384555 MCUIRMLGJMTBRI-MSOLQXFVSA-N 333.790 4.420 50 1 EIGF Cc1noc(C)c1[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587496845 GHAOGQRTUZXOGS-LJQANCHMSA-N 345.826 4.270 50 1 EIGF COC(C)(C)[C@H](Br)c1nc2cc(Cl)c(F)cc2[nH]1 586971178 OAQJUHYGOYUNDE-SNVBAGLBSA-N 335.604 4.216 50 1 EIGF C=C(C)C(=O)C(Cl)=C[C@@](C)(Cl)[C@H](Br)CCl 2356477697 FGDONCJPOYFCKW-PSASIEDQSA-N 334.468 4.254 50 1 EIGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1c(C)noc1C)CC2=O 587460387 MGIQKJAZVHNNQK-SFHVURJKSA-N 349.814 4.049 50 1 EIGF CC/C=C(C)/C=C/CCC[C@]1(OC)CC[C@@H]([C@@H](C)C(=O)O)OO1 238761090 JTPFZCWDSAHJHT-UJEDIQQASA-N 326.433 4.243 50 1 EIGF O=[S@@]1c2ccccc2-c2cc(N(CCCl)CCCl)ccc21 253794673 XQRMEPJRJZAERV-OAQYLSRUSA-N 340.275 4.118 50 1 EIGF CC(C)c1ccc(-c2cc(O)n(-c3ccnc(CCl)n3)c2O)cc1 587939661 ICHBXJILHOETJL-UHFFFAOYSA-N 343.814 4.208 50 1 EIGF C#CC=CC[C@@H]1OC(=C(Br)CC)C[C@@H]2O[C@@H]2C[C@@H]1Cl 2356498088 IPGHQCSIHTZTOJ-VIRABCJISA-N 345.664 4.136 50 1 EIGF C=C1CC[C@]2(C)C(C)(C)CCC[C@]2(C)[C@@H]1[C@H]1C=C(C=O)C[C@@H](O)OO1 2356709162 QHXJLDRTDTZAFU-MGSPEMMDSA-N 348.483 4.340 50 1 EIGF CCCc1c(O)ccc2c1O[C@H](c1cc(CCl)ccc1O)CC2=O 587458622 CPYHSAHLEGHHAA-SFHVURJKSA-N 346.810 4.496 50 1 EIGF CC(C)(C)[C@@H](CCl)C(=O)NN=C(c1ccccc1)c1ccccc1 36387635 OCMXGJXYFXNKCT-KRWDZBQOSA-N 342.870 4.456 50 3 EIGF CC/C=C(C)\C=C\CCC[C@]1(OC)CC[C@@H]([C@@H](C)C(=O)OC)OO1 14276647 MORRHHHLCADBJK-XRHTVQLPSA-N 340.460 4.332 50 1 EIGF C=C(CO)[C@@H]1CC[C@@](C)(OO)C=CCC(C)=CCCC(C)=C[C@@H]1O 253681926 HGPWGHBBMMTDTA-UFYCRDLUSA-N 336.472 4.173 50 1 EIGF CCn1c(C)cc([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)c1C 587373598 RNDJMJDLZFRJFH-LJQANCHMSA-N 346.858 4.115 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCCCCl)cc1)O2 587374169 HGVOAUFDKRLVDC-GOSISDBHSA-N 345.826 4.291 50 1 EIGF Fc1ccc([C@@]23CCC[C@H](OO[C@@H](C4CCCCC4)OO2)O3)cc1 169371648 OKOXIGMRJRVPFZ-RCCFBDPRSA-N 338.375 4.322 50 1 EIGF Cc1cncc2nc([C@@H](C)c3ccc(CBr)cc3)[nH]c12 586974449 WQPVQZMPMOBWGO-NSHDSACASA-N 330.229 4.313 50 1 EIGF CCOC(OCC)[P@](=O)(CCCCCCN=C=S)OCC 1857767203 VTXRZWXJGBERHS-FQEVSTJZSA-N 337.422 4.321 50 1 EIGF C[C@H](Br)[C@]1(C2CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587500041 PTXCIWYHSFBBHQ-VOJFVSQTSA-N 349.268 4.463 50 1 EIGF CC(C)[C@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 587499337 MDEIJMXRCXPISO-QGZVFWFLSA-N 337.257 4.320 50 1 EIGF COc1ccc(Cl)cc1C#Cc1ccc(C[C@@H](C)N=C=O)cc1 587905935 NMHSOPLZEHYUOP-CQSZACIVSA-N 325.795 4.015 50 1 EIGF CCCC1=C(C(=O)OC)[C@@H](c2ccc(F)cc2Cl)C(C#N)=C(C)N1 62224684 ZBHGJXVSUFQFPP-INIZCTEOSA-N 348.805 4.191 50 1 EIGF C=C(C)[C@@]12C=C3CC[C@H]4[C@@](C)(C(=O)O)CCC[C@]4(C)[C@]3(CC1)OO2 144461044 WMBGNPQDZHRODL-ONSCTEFMSA-N 332.440 4.413 50 1 EIGF Brc1ccc(C2OOC3(CCCCCC3)OO2)cc1 43617227 RWJBFCIMPOXADA-UHFFFAOYSA-N 329.190 4.408 50 1 EIGF CSc1ccc(/C=C2\C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc1 49113508 OESMFWGAEAZURD-OVCLIPMQSA-N 344.443 4.417 50 1 EIGF C#C/C=C/C[C@H]1O[C@@H]([C@H](Br)CC)CC=CC[C@H]1Cl 85599985 BWALZYVILRSXNY-IWPOJOQMSA-N 331.681 4.451 50 1 EIGF O=C1C[C@](CCl)(C(Cl)Cl)Oc2c1ccc1c2CCCC1 587496503 DKOLWMPWRLQHAZ-HNNXBMFYSA-N 333.642 4.312 50 1 EIGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CCCCCl 587541729 DHDCWBRTQHHGLQ-GOEBONIOSA-N 332.783 4.132 50 1 EIGF O=C(CBr)Nc1c(-c2ccccc2)[nH]c2cc(F)ccc12 587632756 OODSRHJCBOSLPL-UHFFFAOYSA-N 347.187 4.307 50 1 EIGF C/C(=N/NC(=O)c1ccc(-n2c(C)ccc2C)cc1)c1ccccc1 103175119 FUUUEDKKTCBIKL-XLNRJJMWSA-N 331.419 4.248 50 1 EIGF N#C/C=C/c1ccc(Nc2ccnc(Nc3ccc(C#N)cc3)n2)cc1 40767273 BLKKNZRUUAWFOA-OWOJBTEDSA-N 338.374 4.372 50 1 EIGF CCCc1c(O)ccc2c1O[C@@](CCl)(CCCCl)CC2=O 587462423 ZKRBQNCYYBAZRV-INIZCTEOSA-N 331.239 4.307 50 1 EIGF C#CC=CC[C@H](Cl)[C@@H]1CC=CC[C@H]([C@H](Br)CC)O1 2356477274 ZAQAXRPCNVAIRN-BARDWOONSA-N 331.681 4.451 50 1 EIGF COc1ccccc1[C@H]1C(C#N)=C(N)Oc2ccc3ccccc3c21 584794 FDHRKXGKJKBWGS-IBGZPJMESA-N 328.371 4.067 50 1 EIGF CCc1ccc([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587371893 HRCIHHCOCJACJG-IBGZPJMESA-N 329.827 4.239 50 1 EIGF CC(C)(F)[C@H](Br)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587086906 IPOKGSKQXSJWBZ-SECBINFHSA-N 343.093 4.303 50 1 EIGF C[C@@]1(CCCCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587546961 YZTMTLMWPFTSFN-YJBOKZPZSA-N 332.783 4.132 50 1 EIGF CC(=CCl)[C@@H](Cl)CC(Cl)=C(C)[C@@H](O)CBr 2356649639 SQYDBYIHOGYNDJ-WPRPVWTQSA-N 336.484 4.395 50 1 EIGF COc1cc2ccc(=O)oc2cc1OCC=C(C)CCC=C(C)C=O 2356742686 SSKYVKAMMVPTNN-UHFFFAOYSA-N 342.391 4.052 50 1 EIGF N#CC1=C(N)Oc2c(ccc3ccccc23)[C@@H]1c1cc(F)cc(F)c1 1857563634 NORBLXFFJZHFSZ-SFHVURJKSA-N 334.325 4.336 50 1 EIGF CC1=C(c2nccs2)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 49784777 MFMAVHSQRLTTTA-QWEHXZQISA-N 349.452 4.120 50 1 EIGF O=C(CCl)Nc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)cc1 299867238 XTEUAQMCNACKLX-XCVCLJGOSA-N 334.202 4.413 50 1 EIGF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(CCl)C1CCCCC1 963636740 RXJHPXHPHZQKFR-BFUOFWGJSA-N 337.891 4.252 50 1 EIGF CNC(=O)[C@@H]1C[C@@H]1c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587236756 YXKYMXRJJZIQKB-JGVFFNPUSA-N 341.305 4.070 50 1 EIGF C#CC=CC[C@H](Cl)[C@@H]1CC=C[C@@H](CBr)[C@H](CC)O1 2356636546 LSMGDYUAQNGEIV-AJNGGQMLSA-N 331.681 4.308 50 1 EIGF CC1=C[C@@H]2OC(=O)C(C)=C2CC[C@]2(C)O[C@@H]2CC[C@](C)(OO)C=CC1 2356803453 XCPZVIVLBYIURX-CUDHKJQZSA-N 348.439 4.101 50 1 EIGF O=C(Cl)c1ccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)s1 587279839 CVYSLYOZCPDDFO-UHFFFAOYSA-N 335.724 4.013 50 1 EIGF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CCl)CCSC(C)=O 963240215 YIZIGESSEGLWDA-KBXCAEBGSA-N 339.932 4.447 50 1 EIGF C=C(C)[C@]12C=C3CC[C@H]4[C@@](C)(C(=O)O)CCC[C@]4(C)[C@@]3(CC1)OO2 139620120 WMBGNPQDZHRODL-XCZFOBESSA-N 332.440 4.413 50 1 EIGF COc1ccc2c(c1)[C@H](c1ccc(OCCCl)cc1)N[C@H]1CC[C@@H]21 962991918 GBMQSARKCXLFSV-IHPCNDPISA-N 343.854 4.251 50 1 EIGF CC(=O)O[C@@H]1C[C@H](C)[C@]2(CCC(=CC=O)O2)[C@]2(C)CCCC(C)(C)[C@H]12 2356759050 DTODGYVUKUZPTH-LJBHTKMOSA-N 348.483 4.423 50 1 EIGF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(F)cc3)c(CCl)c2c1 587649936 NIBXYMFAISMZOK-UHFFFAOYSA-N 337.803 4.116 50 1 EIGF CC(C=CC=C(C)C=CC1=C(C)C(=O)[C@@H](O)CC1(C)C)=CC=CC=O 2356456277 XTUFFSHGWCNQDX-FQEVSTJZSA-N 340.463 4.423 50 1 EIGF ClCCCN1CC[C@H]2c3c(Br)cccc3CC[C@H]21 13740511 HTRITDVQTYLHKC-TZMCWYRMSA-N 328.681 4.182 50 1 EIGF CO[C@H]1C[C@]2(C)/C(=C\C#N)CC[C@H]2[C@@H]2CC[C@H]3C[C@H](O)CC[C@]3(C)[C@@H]12 201432358 NDRWXFUZQPBELD-YFQUZKAYSA-N 343.511 4.465 50 1 EIGF Cc1c(CBr)[nH]c2c1c(Br)cc1n[nH]cc12 587621510 WIEHUJWMUIZYNQ-UHFFFAOYSA-N 343.022 4.010 50 1 EIGF CCCCCCCC/C=C\N(NC(=O)COC)C(=O)OC(C)(C)C 96940455 PVECIIGMPHSGNZ-YPKPFQOOSA-N 342.480 4.165 50 1 EIGF COC(=O)c1cc(Cl)c2[nH]c(/C(C#N)=C\c3ccccc3)nc2c1 587188419 RXASKWIMAAVJEV-QPEQYQDCSA-N 337.766 4.067 50 1 EIGF Cc1c(Br)cnc2[nH]c(/C(C#N)=C\c3ccccc3)nc12 587188651 UYIBLYHAMVTZFD-GHXNOFRVSA-N 339.196 4.093 50 1 EIGF O=C1C[C@@](CBr)(CC2CC2)Oc2c1ccc1c2CCCC1 587498586 IMMZHFTUTVSXNF-GOSISDBHSA-N 349.268 4.464 50 1 EIGF CC(C)[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587689183 QOBGIRCORMHZIJ-OTYXRUKQSA-N 334.660 4.213 50 1 EIGF ClC[C@@H](Cl)c1nc2cc(Br)cc(Cl)c2[nH]1 587008948 SKTFXVOYYSMDMJ-ZCFIWIBFSA-N 328.424 4.498 50 1 EIGF CCCc1c(O)ccc2c1O[C@H]([C@@H]1CCCC(C=O)=C1Cl)CC2=O 587463001 UAZHGFQFTQUCSL-YOEHRIQHSA-N 348.826 4.170 50 1 EIGF Fc1ccc([C@@H]2OO[C@H]3CCC[C@@](c4ccccc4)(OO2)O3)cc1 141464066 VCPFDPUPFBVBAB-KSZLIROESA-N 332.327 4.114 50 1 EIGF CC1=CC[C@@H](C(C)(C)Cl)O[C@H]1C(Br)Br 86036141 RHABCRQHZGGHKU-JGVFFNPUSA-N 346.490 4.224 50 1 EIGF O=[N+]([O-])c1cccc2[nH]c(-c3cc(F)ccc3O)c(CCCl)c12 587645626 GBLONHQFQBBMST-UHFFFAOYSA-N 334.734 4.369 50 1 EIGF Cc1ccc(/C=C(\C#N)c2nc3cc(C(F)(F)F)cnc3[nH]2)cc1 587188907 YGAXEGXDLKURQD-WUXMJOGZSA-N 328.297 4.349 50 1 EIGF CC1(C)[C@@H](OC(=O)c2ccccc2)CC[C@]2(C)C[C@@H]3CC[C@]12OO3 195179969 ZGEZBEGUEKLVRK-FEHORTKBSA-N 330.424 4.291 50 1 EIGF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(C#N)=COc2ccccc21 587469982 RJDNXGGMGZEWCT-NRFANRHFSA-N 347.370 4.005 50 1 EIGF CC=CC=CCCCCC[C@]1(OC)C[C@H](C)[C@H](CC(=O)O)OO1 2356791173 GMKKZJOYHLHRNP-XYJFISCASA-N 326.433 4.243 50 1 EIGF C#C/C=C\C[C@H]1O[C@H](CC)[C@H](Br)C/C=C\C[C@H]1Cl 95913959 XNLVYZURWKMAIT-IKEITHOESA-N 331.681 4.451 50 1 EIGF biogenic,in-vitro COc1ccc2nc([C@H](C)c3ccc(CBr)cc3)[nH]c2n1 586972702 AHAUSHVJDZHJMY-SNVBAGLBSA-N 346.228 4.013 50 1 EIGF COc1cc2c3c(c1)O[C@@](C)(c1cc(CCl)cs1)[C@@H](C2)C3=O 587452715 OOAZRUFUCGOSCX-YVEFUNNKSA-N 334.824 4.158 50 1 EIGF O=C(CCl)c1c[nH]c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587499861 WKJWNGVGJPZALE-SFHVURJKSA-N 343.810 4.022 50 1 EIGF C#CCC=C[C@H](Cl)[C@@H]1CC=CC[C@H]([C@@H](Br)CC)O1 2356794945 LNYCTDBPFKJCHC-XQLPTFJDSA-N 331.681 4.451 50 1 EIGF C[C@@H](Br)[C@@H]1CC[C@H]2c3[nH]c4ccccc4c3CCN2C1 5924619 YISWCYRTICNEHH-HSMVNMDESA-N 333.273 4.261 50 1 EIGF CC(C)CN(Cc1ccc(Cl)cc1)C(=O)/C=C/CBr 103279191 NUMJCLBBLKXLRU-ONEGZZNKSA-N 344.680 4.276 50 1 EIGF C#CC=CCC=CC[C@H](Br)[C@@H]1C[C@@H](Cl)[C@H](CC)O1 2356587764 WMHQOEDWBUGVOO-XGUBFFRZSA-N 331.681 4.451 50 1 EIGF O=C(Sc1ccccc1)c1cc2cc(CCl)ccc2oc1=O 40465483 WIBPRJHSRYQIFR-UHFFFAOYSA-N 330.792 4.464 50 1 EIGF c1ccc([C@]23OO[C@@H](C4CCCCC4)OO[C@H]2[C@@H]2CC[C@H]3C2)cc1 195204391 COADCJGMCLNEBK-QDGKJQRMSA-N 330.424 4.497 50 1 EIGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@H](OC(C)(C)C)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]32OO4 195297367 PIIQBEAIJBJGLJ-KKJBUWGCSA-N 340.460 4.010 50 1 EIGF C[C@]1(c2ccc(N=C=O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587509068 XHCIVEFNLVPZLI-OAQYLSRUSA-N 333.387 4.413 50 1 EIGF CO[C@@H]1C(=O)[C@]2(C)CC[C@]3(C)CCC(C(C)C)=C3[C@@H]2CC=C1C=O 2356324973 MHJIISMBXWZQGF-BVPXEZJJSA-N 330.468 4.269 50 1 EIGF Cc1ccc2ccc3c(c2n1)OC(N)=C(C#N)[C@H]3c1ccc(Cl)cc1 103186037 VTGDHSHQGSHPOQ-KRWDZBQOSA-N 347.805 4.415 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccccc1)([C@H](C)Cl)O2 587370817 BXFAVDWGQMCEMA-DJJJIMSYSA-N 329.827 4.151 50 1 EIGF C#CCC=C[C@H](Cl)[C@@H]1CC=CC[C@H]([C@H](Br)CC)O1 2356794943 LNYCTDBPFKJCHC-BARDWOONSA-N 331.681 4.451 50 1 EIGF COC(C)(C)[C@H](Br)c1nc2ccc3c(c2[nH]1)CCCC3 586970466 BJVGEKGDUPUQHO-CQSZACIVSA-N 337.261 4.303 50 1 EIGF COc1cc2nc([C@@H](Br)C(C)(C)OC)[nH]c2cc1Cl 586970602 HKEUAYRILAPPRT-LLVKDONJSA-N 347.640 4.086 50 1 EIGF C=C1CC[C@]2(C)C(C)(C)CCC[C@]2(C)[C@@H]1[C@H]1C=C(C=O)C[C@H](O)OO1 2356709160 QHXJLDRTDTZAFU-BBPUYGCGSA-N 348.483 4.340 50 1 EIGF O=[N+]([O-])c1ccccc1SSc1n[nH]c(-c2ccccc2)n1 103213167 HPGXKRVGWUQDHR-UHFFFAOYSA-N 330.394 4.179 50 1 EIGF C=C(C)[C@@H](CCC(C)=CCOc1ccc2ccc(=O)oc2c1)OO 2356726144 GFNDGCJFPVJMQB-QGZVFWFLSA-N 330.380 4.333 50 1 EIGF CCCc1c(O)ccc2c1O[C@H]([C@H]1CCCC(C=O)=C1Cl)CC2=O 587462806 UAZHGFQFTQUCSL-PBHICJAKSA-N 348.826 4.170 50 1 EIGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCC[C@H]2Cl 587545788 HOYSVPZKSIMNEE-GJYPPUQNSA-N 344.794 4.274 50 1 EIGF C[C@]12CC(C=O)=C(O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O 118913727 PUQUTIRPHMRPJS-IYRCEVNGSA-N 332.484 4.401 50 3 EIGF investigational CC1(C)[C@@H](OC(=O)c2ccccc2)CC[C@@]2(C)C[C@H]3C=C[C@]12OO3 195186493 MURKHDAAWBTEQC-LPWQTFTOSA-N 328.408 4.067 50 1 EIGF COc1ccc2c(C(=O)/C(C#N)=C/c3c[nH]c4ccccc34)c[nH]c2c1 299818929 AVBAMZXFGBAYNP-MDWZMJQESA-N 341.370 4.448 50 1 EIGF CC(=O)OCCC(C)=C(Cl)C=C[C@](C)(Cl)CBr 2356788771 CLBWWJUVFJDYMJ-LBPRGKRZSA-N 344.076 4.401 50 1 EIGF Oc1ccc([C@@]2(CCl)c3ccc(F)cc3C[C@@H]3CCCN32)cc1 963115884 XTURKDRPPBKOPV-LPHOPBHVSA-N 331.818 4.034 50 1 EIGF CCOc1ccc([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587372924 NZPLHEGPOSGHHO-IBGZPJMESA-N 345.826 4.075 50 1 EIGF COc1ccc(Cl)cc1C#Cc1ccccc1C[C@@H](C)N=C=O 587901486 FIMVIFRBGYDQNR-CQSZACIVSA-N 325.795 4.015 50 1 EIGF c1ccc([C@@]23OO[C@@H](C4CCCCC4)OO[C@@H]2[C@@H]2CC[C@@H]3C2)cc1 169368508 COADCJGMCLNEBK-XLSIIYIISA-N 330.424 4.497 50 1 EIGF C=C(C)[C@@H](CC/C(C)=C/COc1ccc(/C=C/CO)cc1OC)OO 238757300 IEBYVGAYRVEKGY-GAVLFFHDSA-N 348.439 4.240 50 1 EIGF c1ccc([C@]23OO[C@H](C4CCCCC4)OO[C@H]2[C@H]2CC[C@H]3C2)cc1 253690072 COADCJGMCLNEBK-AEEMCCEDSA-N 330.424 4.497 50 1 EIGF CC1(C)CC(=O)[C@H](Cl)[C@@]2(C1)c1c(F)cccc1C[C@@H]1CCCN12 963100704 KPLRQTBRXJRGRW-SOVGHPHASA-N 335.850 4.038 50 1 EIGF CC(C)(C)c1ccc2nc([C@@H](Br)C(C)(C)F)[nH]c2n1 587086674 GCQGRVKKVHEZPD-SNVBAGLBSA-N 328.229 4.440 50 1 EIGF C#C/C=C/C[C@H]1O[C@H]([C@@H](Br)CC)CC=CC[C@H]1Cl 137707070 BWALZYVILRSXNY-NFGSGSBDSA-N 331.681 4.451 50 1 EIGF CCc1[nH]c2c(c(Br)cc3n[nH]cc32)c1CCCl 587621904 OLMIQFFUPODZFD-UHFFFAOYSA-N 326.625 4.150 50 1 EIGF COc1ccc([C@@]2(CCCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587372995 OSPNZGOMDWZYOH-LJQANCHMSA-N 345.826 4.075 50 1 EIGF CC1(C)O[C@@](C)(/C=C/Cl)[C@H](Br)C[C@H]1Br 238760899 UKJVBIAAYSSDNV-TWFYULLRSA-N 346.490 4.224 50 1 EIGF COC(C)(C)[C@H](Br)c1nc2ccc(C(C)(C)C)nc2[nH]1 586970838 HVGQNRDSTKWSPX-LLVKDONJSA-N 340.265 4.116 50 1 EIGF CCOC(=O)c1ccc2nc(/C(C#N)=C/c3ccc(C)cc3)[nH]c2c1 587188829 XLIMDDUSCDAIQO-MHWRWJLKSA-N 331.375 4.112 50 1 EIGF CC(C)=CCC[C@H](C)[C@H]1CCC[C@@]2(C)CC=C(C=O)[C@@]1(C=O)[C@H]2O 2356482220 IVWAHKOUUAMNFT-DARKYYSBSA-N 332.484 4.251 50 1 EIGF O=C(Cc1cccc2ccccc12)NNc1c(Cl)cncc1Cl 84759558 QYORZBICHPWZFF-UHFFFAOYSA-N 346.217 4.227 50 1 EIGF N#Cc1ccc2c(C(=O)CS[C@H](Cl)C(F)(F)F)coc2c1 587278266 LXTOJJBXPABAJW-LBPRGKRZSA-N 333.718 4.348 50 1 EIGF C[C@H](Br)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587007710 DEBNGDNEDPQFLV-JTQLQIEISA-N 329.197 4.250 50 1 EIGF Cc1ccc([C@@]2(CCCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587370827 BXJZKDBTROBRHN-LJQANCHMSA-N 329.827 4.375 50 1 EIGF CCCc1c(O)ccc2c1O[C@@](C)(CCCBr)CC2=O 587456368 NSRCYUZOIPQYEP-INIZCTEOSA-N 341.245 4.244 50 1 EIGF Cc1cc(OCC(=O)NNc2ccccc2)c(C(C)C)cc1Cl 5538789 LUHMBBXHYWYWPK-UHFFFAOYSA-N 332.831 4.294 50 1 EIGF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@H](C)[C@@]23CC/C(=C/C=O)O3)C1(C)C 238768034 YUIOUOHLEHUTMC-YJJZLGLKSA-N 348.483 4.423 50 1 EIGF CC(C)[C@@H](Br)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587498386 GUBKLIGRKGMWBB-JKSUJKDBSA-N 337.257 4.319 50 1 EIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(C2(C)CC2)N1 587686708 DKYUHSVLVFAHGL-PSLIRLAXSA-N 346.671 4.357 50 1 EIGF COc1cc2c3c(c1)O[C@@](C)([C@H](Cl)c1ccc(F)cc1)[C@@H](C2)C3=O 587427920 JZVNLPAMJQOQLB-GDIGMMSISA-N 346.785 4.321 50 1 EIGF CC1(C)[C@H]2CC3=C4CCSSCC[C@H]([C@H](CO)C2)[C@]31CC4=O 2356753386 SSAQJHDWYMIVMY-NMFBSDBYSA-N 338.538 4.092 50 1 EIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C(C)(C)CCl)N1 587684749 LZMHYBGWCHZXDK-ISVAXAHUSA-N 334.660 4.429 50 1 EIGF C#CC=CC[C@H](Cl)[C@@H]1CC=C[C@@H](CBr)[C@@H](CC)O1 2356636549 LSMGDYUAQNGEIV-XQLPTFJDSA-N 331.681 4.308 50 1 EIGF CN(C)CCCOC1=Nc2ccccc2/C(=C/C#N)c2ccccc21 40375104 BSQCUXVDMMJWAV-SFQUDFHCSA-N 331.419 4.002 50 1 EIGF C=C(c1cccc([N+](=O)[O-])c1)N(C(=O)CCl)c1c(C)cccc1C 103198617 WOVUWXRNVCBYAW-UHFFFAOYSA-N 344.798 4.454 50 1 EIGF C=C[C@@](C)(O)CCC1=C(C)[C@@H](OO)C[C@@H]2C(C)(C)C[C@@H](O)C[C@@]12C 238732025 SKWLGLDXYGYAGM-YESPVIGUSA-N 338.488 4.085 50 1 EIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(C2CCC2)N1 587685925 SBYZXQYNECMXGL-VFZGTOFNSA-N 346.671 4.357 50 1 EIGF C=C[C@](C)(Cl)[C@H](Cl)C=CC(C)=CC[C@H](O)C(=C)CC(=O)O 2356664642 CYRVLPXRQULBHZ-LZWOXQAQSA-N 333.255 4.062 50 1 EIGF COC(=O)c1ccc(/C(O)=C(\C#N)c2nc3ccccc3s2)cc1 101627225 IAEGTNNTKBESKY-SSZFMOIBSA-N 336.372 4.033 50 1 EIGF C=C1[C@H]2c3ccccc3[C@H](C[C@]2(C)O[Si](C)(C)C)N1C(=O)OC 195374153 HFZWBBKBCFMTGA-BQFCYCMXSA-N 331.488 4.421 50 1 EIGF COc1cc(/C(C#N)=C/c2ccc3ccccc3n2)cc(OC)c1OC 214116713 NUQZNSNQKVXIAB-MHWRWJLKSA-N 346.386 4.325 50 1 EIGF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(CCl)C1CCCCC1 963636743 RXJHPXHPHZQKFR-ORAYPTAESA-N 337.891 4.252 50 1 EIGF C/C1=C\[C@H](O)C[C@@](C)(O)/C=C/[C@H](C(C)C)CC[C@](C)(OO)/C=C/C1 238738708 BZHRGVRKTVGYGR-CHSDJHQISA-N 338.488 4.252 50 1 EIGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CCCCCl 587541731 DHDCWBRTQHHGLQ-ZBFHGGJFSA-N 332.783 4.132 50 1 EIGF COc1ccc(Cl)cc1C#Cc1ccc([C@H](O)CCCl)cc1 587906199 UQUSTONEZMGFQP-QGZVFWFLSA-N 335.230 4.411 50 1 EIGF CC(C=O)=CCC[C@@H](C)CCOC(=O)C[C@H](C)CCC=C(C)C=O 2356584092 SOBOYKNHEAFZOH-IAGOWNOFSA-N 336.472 4.433 50 1 EIGF Cc1cc(NC(=O)/C(C#N)=C(\O)C2CC2)ccc1SC(F)(F)F 100785190 RUPNXRJLZLFMLM-QBFSEMIESA-N 342.342 4.291 50 1 EIGF CC=CC=CC=C(C=O)[C@@H](OCc1c(O)cccc1CCC)C(C)=O 2356375097 PKFDPDJJEWMKLV-NRFANRHFSA-N 342.435 4.077 50 1 EIGF CCc1nc2ccc(O)c3c2c(c1CCCl)-c1ccccc1C3=O 586986795 VLHSZHPTYWIDDN-UHFFFAOYSA-N 337.806 4.496 50 1 EIGF CC1([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 587546265 VJZKZQIQVLSMPY-HNAYVOBHSA-N 344.794 4.132 50 1 EIGF C=CC=CC=CC=CC=CC=CC=CC[C@@H]1C[C@@H](CC(=O)O)OO1 2356524564 JSGYAPYVMBOAFU-MOPGFXCFSA-N 328.408 4.464 50 1 EIGF CC1([C@@H]2OO[C@@H]3[C@H]4CC[C@@H](C4)[C@]3(c3ccccc3)OO2)CCCC1 253633382 JUVNKQTXBABKMQ-KNRPQUBCSA-N 330.424 4.497 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc(C)c(C)c1)O2 587374304 VUBWGASMKDSSLR-IBGZPJMESA-N 329.827 4.294 50 1 EIGF CCC=C(C)C=CCCC[C@]1(OC)CC[C@@H]([C@@H](C)C(=O)OC)OO1 2356464521 MORRHHHLCADBJK-ZIFCJYIRSA-N 340.460 4.332 50 1 EIGF COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2ccc3ccccc3c21 584793 FDHRKXGKJKBWGS-LJQANCHMSA-N 328.371 4.067 50 1 EIGF CC(C)(C)Cc1ccc(Oc2ccc(/C=N/NC(N)=O)cc2)cc1 27318226 WPNJAEATVOVVOW-FYJGNVAPSA-N 325.412 4.070 50 1 EIGF C[C@]1(c2cccs2)CC(c2cccs2)=C(C#N)C(=C(C#N)C#N)N1 73403730 HLKANFKOOWUNDF-GOSISDBHSA-N 348.456 4.297 50 1 EIGF C[C@@H](c1ccc(CBr)cc1)c1nc2ccc(CO)cc2[nH]1 586974289 UYWIMZWULFOOBI-NSHDSACASA-N 345.240 4.102 50 1 EIGF CC(=O)O[C@@H]1C(C=O)=CCC=C(C)C[C@H](O)[C@@H]1[C@@H](C)CCC=C(C)C 2356461671 PFLUUKDRZGYDSO-LRGNLBRXSA-N 348.483 4.143 50 1 EIGF CC[C@H](/C=C/c1ccccc1)OC(=O)/C(C#N)=C/c1ccc(O)c(O)c1 103245077 BBISGANYDGKLDE-GKHTVCIYSA-N 349.386 4.040 50 1 EIGF Cc1nc(C)c(COC(=O)CCCC[C@@H]2CCSS2)nc1C 103300823 ZLUNCILAGOTQHT-CQSZACIVSA-N 340.514 4.159 50 1 EIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C(Cl)Cl)N1 587687744 HPXPZEZSGDBKHJ-INWYIAFRSA-N 341.051 4.141 50 1 EIGF CC[C@@H](C)CCO[C@@H]1OC(=O)[C@]23C[C@@H]4CC(C)(C)CC4=C(C=O)[C@]12C3 84690542 CERWTWXWRVGAAK-NXQZZRBQSA-N 346.467 4.034 50 1 EIGF CC1(C)[C@H](OC(=O)c2ccccc2)CC[C@@]2(C)C[C@H]3C=C[C@]12OO3 195186473 MURKHDAAWBTEQC-YKCBXCCJSA-N 328.408 4.067 50 1 EIGF COc1cc2c3c(c1)O[C@](C)(c1cccc(CCl)c1)[C@@H](C2)C3=O 587420352 IEFDBGQZXZULOF-HNAYVOBHSA-N 328.795 4.097 50 1 EIGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CCCCCl 587541728 DHDCWBRTQHHGLQ-GDBMZVCRSA-N 332.783 4.132 50 1 EIGF CC(=O)OCCC(C)=C(Cl)C=C[C@@](C)(Cl)CBr 2356788770 CLBWWJUVFJDYMJ-GFCCVEGCSA-N 344.076 4.401 50 1 EIGF C=C(CO)[C@@H]1CC[C@@](C)(OO)/C=C/C/C(C)=C/CC/C(C)=C\[C@@H]1O 169309458 HGPWGHBBMMTDTA-DYPNYOGPSA-N 336.472 4.173 50 1 EIGF COc1ccc(Cl)cc1C#Cc1ccc(NC(=O)[C@H](C)Cl)cc1 587906460 GUGBVTHTPDPHGQ-LBPRGKRZSA-N 348.229 4.314 50 1 EIGF C=C[C@H](COC(C)=O)C[C@@H]1C(=C)CC[C@@H](Br)C1(C)C 2356683578 AGXPZYPVDGCMPE-RRFJBIMHSA-N 329.278 4.498 50 1 EIGF Cn1c2c(c3ccccc31)[C@@H]1CCCCCC[C@@H]1[C@H]1C(=O)OC(=O)[C@@H]21 299816055 PLPKUGCPCLWSFX-JGTCGTHISA-N 337.419 4.029 50 1 EIGF C/C(=N\NC(=O)Nc1nc2ccc(Cl)cc2s1)c1ccccc1 28823183 YBNCWLCNZGVYLP-KEBDBYFISA-N 344.827 4.495 50 1 EIGF CCOC(=O)c1c(CBr)[nH]c2c(C)cc(Cl)cc12 587623786 PKHZUUZHHVIDSP-UHFFFAOYSA-N 330.609 4.201 50 1 EIGF C#CC=CC[C@@H]1O[C@H]([C@@H](Br)CC)CC=CC[C@@H]1Cl 2356732388 BWALZYVILRSXNY-AJNGGQMLSA-N 331.681 4.451 50 1 EIGF C=C(CC[C@@H](O)c1ccc(Cl)cc1)[C@@H]1COC2(CCCC2)OO1 43356639 DCUMUOKAYIEYGR-SJORKVTESA-N 338.831 4.327 50 1 EIGF CC(=N)/C(C#N)=C(\O)CSc1nnc(Nc2cccc(C)c2)s1 103106913 FVGULVKGMJHAMD-PXEQDQPNSA-N 345.453 4.058 50 1 EIGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](CC(C)(F)F)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]32OO4 195252971 MPJSRZRJOSUUDI-DMKBYQIASA-N 346.414 4.282 50 1 EIGF CCOC(=O)Cc1ccc2nc(/C(C#N)=C\c3ccc(C)cc3)[nH]c2c1 587189033 ZKFMPZBNCVUVAJ-YVLHZVERSA-N 345.402 4.041 50 1 EIGF N#C/C(=C(/O)c1cc(=O)c2ccccc2o1)c1nc2ccccc2s1 100704205 MONNLHIXCCPGBU-PDGQHHTCSA-N 346.367 4.353 50 1 EIGF ClC[C@H](Cl)c1nc2cc(Br)cc(Cl)c2[nH]1 587008947 SKTFXVOYYSMDMJ-LURJTMIESA-N 328.424 4.498 50 1 EIGF CC1([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 587546263 VJZKZQIQVLSMPY-DNVCBOLYSA-N 344.794 4.132 50 1 EIGF Cc1cc(C)cc(C(=O)NN(C(=O)CCCC(C)C)C(C)(C)C)c1 103197762 HKQDASFGWZFSKG-UHFFFAOYSA-N 332.488 4.402 50 1 EIGF N#CC1=C2Sc3ccccc3N2C(=N)[C@@H](C#N)[C@@H]1c1ccccc1 169688638 BALHLZUFXCQHNV-GUYCJALGSA-N 328.400 4.248 50 1 EIGF CCc1ccc([C@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1 587449782 HEMKMHJENOEJCQ-FZKQIMNGSA-N 348.851 4.201 50 1 EIGF CC(C)(F)[C@@H](Br)c1nc2cc(Cl)c(Cl)nc2[nH]1 587086520 CDEGMHYDMBWQPS-LURJTMIESA-N 341.011 4.449 50 1 EIGF C=C[C@](C)(O)CCC1=C(C)[C@H](OO)C[C@@H]2C(C)(C)C[C@H](O)C[C@@]12C 2356459605 SKWLGLDXYGYAGM-CIJNOWTPSA-N 338.488 4.085 50 1 EIGF C#CC=CC[C@@H]1O[C@H](CC)[C@H](Br)CC=CC[C@@H]1Cl 2356617936 XNLVYZURWKMAIT-BARDWOONSA-N 331.681 4.451 50 1 EIGF Cc1ccc(/C=C(/C#N)c2nc3ccnc(Br)c3[nH]2)cc1 587187384 FRWIHYHLOPQJKB-WQLSENKSSA-N 339.196 4.093 50 1 EIGF CC1=C2CC[C@](C)(OO)/C=C\C[C@@]3(C)O[C@@H]3CC/C(C)=C/[C@H]2OC1=O 238788016 PTKZNZZJRAMCOQ-PMVGHDPKSA-N 348.439 4.101 50 1 EIGF N#CC1=COc2ccccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587507808 SNYCWSCQZVVDPC-QFIPXVFZSA-N 343.382 4.226 50 1 EIGF CC1=CCCC(C=O)=CCC[C@@H](C(=O)O)[C@H]2C[C@@H](CC1)C(C)(C)O2 2356546750 QXVKGHACURAACX-KZNAEPCWSA-N 334.456 4.297 50 1 EIGF C=CCO/C(O)=C1\C(C)=NC(SC)=C(C#N)[C@H]1c1cccs1 17511188 COYYGSONNSZEKI-BXWAGETQSA-N 332.450 4.377 50 1 EIGF COc1cc2c3c(c1)O[C@@](CCCl)(c1cccs1)[C@@H](C2)C3=O 587448722 BPRLHZVRYVRSIZ-YVEFUNNKSA-N 334.824 4.029 50 1 EIGF C=C(CO)[C@@H]1CC[C@@](C)(OO)/C=C/C/C(C)=C\CC/C(C)=C\[C@@H]1O 169309454 HGPWGHBBMMTDTA-UHALQESGSA-N 336.472 4.173 50 1 EIGF COc1cc2c3c(c1)O[C@@](Cc1ccccc1)([C@H](C)Cl)[C@@H](C2)C3=O 587418044 RHAINTGDJVDYSO-APXLUKDGSA-N 342.822 4.051 50 1 EIGF COc1ccc(Cl)cc1C#Cc1ccc(NC(=O)CCCl)cc1 587906880 XPDJQUDBJYKNAY-UHFFFAOYSA-N 348.229 4.316 50 1 EIGF N=C(CCl)NCCCc1cn(Cc2ccccc2)c2ccccc12 1857649943 OBWPHUHZPTUUFY-UHFFFAOYSA-N 339.870 4.428 50 1 EIGF CC(=O)O[C@@H]1C[C@H](C)[C@]2(CCC(=CC=O)O2)[C@@]2(C)CCCC(C)(C)[C@H]12 2356759052 DTODGYVUKUZPTH-UKSHUYIYSA-N 348.483 4.423 50 1 EIGF Cc1ccnc2ccc(P(=O)(c3ccccc3)c3ccccc3)cc12 17595920 MLAFLLYZRAFYAW-UHFFFAOYSA-N 343.366 4.183 50 3 EIGF O=S(=O)(C[C@H](Cl)c1ccccc1)c1nc2ccccc2s1 6575720 GXZFYSUCSDSYJF-LBPRGKRZSA-N 337.853 4.050 50 1 EIGF COc1ccc(Cl)cc1C#Cc1cc(CCl)cc2c1OCO2 587911410 RWNSHRRONFOQJY-UHFFFAOYSA-N 335.186 4.216 50 1 EIGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](CCl)(c2ncccc2C)N1 962949494 FWBTWMLTPMZTBV-VLIAUNLRSA-N 339.870 4.278 50 1 EIGF CCCN(c1cccnc1)P(=O)(c1ccccc1)c1ccccc1 95598209 PRXWWJUWFYAFRK-UHFFFAOYSA-N 336.375 4.227 50 1 EIGF C[C@]12CC(=O)[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC/C2=C/C#N 118923924 VFWOXQNFPHOBLO-FSHNTJAOSA-N 327.468 4.019 50 1 EIGF Cc1nn(CCCl)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587497660 JUJJHRCSEXXCCW-SFHVURJKSA-N 344.842 4.016 50 1 EIGF COc1ccc(Cl)cc1C#Cc1ccc2nc(CCl)[nH]c2c1 587907167 FMCDSQMXFPNUBI-UHFFFAOYSA-N 331.202 4.364 50 1 EIGF O=c1oc(OCCCCBr)c(Cl)c2ccccc12 34604614 VPQQIRHWKFYLOI-UHFFFAOYSA-N 331.593 4.000 50 1 EIGF CC1(C)O[C@](C)(C=CCl)[C@@H](Br)C[C@@H]1Br 2356505923 UKJVBIAAYSSDNV-OYNCUSHFSA-N 346.490 4.224 50 1 EIGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cccc(Cl)c1)O2 587374881 ZYEAKTHDLVCHIZ-QGZVFWFLSA-N 336.218 4.330 50 1 EIGF C=C1CC=CC(C)(C)[C@@]12C[C@H](Br)[C@@](C)(Cl)C[C@@H]2O 1558381 QSMNBYDYMWRZTN-JURCDPSOSA-N 333.697 4.431 50 1 EIGF N#C/C(=C/c1ccccc1)c1nc2cc(C#N)cc(Br)c2[nH]1 587188781 WPBYJNGCJQDULH-MLPAPPSSSA-N 349.191 4.261 50 1 EIGF C=C[C@](C)(O)CCC1=C(C)[C@H](OO)C[C@@H]2C(C)(C)C[C@H](O)C[C@]12C 2356459607 SKWLGLDXYGYAGM-OJXKADHTSA-N 338.488 4.085 50 1 EIGF CC1(C)CCC[C@@]2(C)[C@@H]1CC=C(C=O)[C@@]21CC[C@](C)(CC(=O)O)O1 2356737732 ATEDUZJBBLDWGB-XCLNPWKQSA-N 334.456 4.131 50 1 EIGF CC1(C)[C@H](OC(=O)c2ccccc2)CC[C@]2(C)C[C@H]3C=C[C@]12OO3 195186482 MURKHDAAWBTEQC-SMOSDQRPSA-N 328.408 4.067 50 1 EIGF CCC=C(C)C=CCCC[C@]1(OC)C[C@@H](C)[C@@H](CC(=O)O)OO1 2356525492 QNOFULCIJFKVRY-JFIYKMOQSA-N 326.433 4.243 50 1 EIGF C=C[C@H](COC(C)=O)C[C@H]1C(=C)CC[C@H](Br)C1(C)C 2356683577 AGXPZYPVDGCMPE-KKUMJFAQSA-N 329.278 4.498 50 1 EIGF C=C[C@](C)(O)CC[C@@H]1[C@](C)(CC=CC(C)(C)OO)[C@H]2CC[C@@]1(C)O2 2356437254 MMDGRRLDAOVYIQ-OMZCVMJRSA-N 338.488 4.492 50 1 EIGF C/C(=C\Cc1cc2ccc(=O)oc2cc1O)C/C=C/C(C)(C)OO 85859353 WGLOVOJJZFJYLA-HHLXJUMTSA-N 330.380 4.202 50 1 EIGF C[C@@H]1CC[C@@H]2CCO[C@@H]3O[C@]4(CCc5ccccc5)CC[C@@H]1[C@@]23OO4 101480771 GNMPJEQAJJPREJ-RTJUMIHMSA-N 344.451 4.235 50 1 EIGF O=C1[C@H](Cl)[C@H](c2cc3ccccc3nc2S)N1c1ccccc1 103189164 WYFLWOIJZBNMJY-CVEARBPZSA-N 340.835 4.219 50 1 EIGF O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1coc2ccccc12 73310605 GUQZZXVFJLNSQI-FBCYGCLPSA-N 349.173 4.209 50 1 EIGF C[C@@H]1C(=O)C[C@H](c2ccccc2)N(C(=O)CCl)[C@@H]1c1ccccc1 169318587 WPSDPHFTZGWJHI-ZTQAJYAQSA-N 341.838 4.145 50 1 EIGF O=C(N/N=C\c1ccco1)c1ccc(-c2nc3ccccc3s2)cc1 299860665 GYDZWBVPNZVEMH-NDENLUEZSA-N 347.399 4.320 50 1 EIGF CS(=O)(=O)c1ccc2[nH]c(-c3ccccc3F)c(CCl)c2c1 587650348 SONOIQPDOOJIEG-UHFFFAOYSA-N 337.803 4.116 50 1 EIGF CCC=C(C)C=CCCC[C@]1(OC)C[C@H](C)[C@H](CC(=O)O)OO1 2356525495 QNOFULCIJFKVRY-XYJFISCASA-N 326.433 4.243 50 1 EIGF CCC[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541257 AFYMZYXKMAXWKQ-QAPCUYQASA-N 332.783 4.132 50 1 EIGF CC1=C(C#N)[C@@H](c2ccccc2F)C2=C(c3ccccc3C2=O)N1C 481771 MGNRDWKUOXSPRM-GOSISDBHSA-N 330.362 4.260 50 1 EIGF COc1cc(/C(C#N)=C\c2ccc(Cl)c(N)c2)cc(OC)c1OC 13780603 IRQPAIWSZFBTMI-MLPAPPSSSA-N 344.798 4.012 50 1 EIGF