smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COC[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587542117 FRINPSQFJAKRKP-WMLDXEAASA-N 334.755 2.978 50 1 EFGF C[C@@H]1C[C@]12C(=O)OC(=O)C1=C(C(=O)C[C@@H]3C(C)(C)CCC[C@]13C)[C@@H]2O 2356341992 CLLCVCXYAZNYNQ-OKJUFOMVSA-N 346.423 2.559 50 1 EFGF C#CC=CC[C@H](Cl)[C@@H]1C[C@H](O)[C@H](OC(C)=O)C=C[C@@H](CC)O1 2356793299 HDYZHQCPGQNLNH-HMDCTGQHSA-N 326.820 2.590 50 1 EFGF COc1cncc([C@@H]2C(C#N)=C(N)Oc3c2ccc2c3ccn2C)c1 38421551 ISCULTSSKZPFLB-KRWDZBQOSA-N 332.363 2.800 50 1 EFGF ClC[C@@H]1[C@@H]2C[C@@H]3[C@@H]1CO[C@H]3[C@H]2n1cnc2c(Cl)ncnc21 169306507 ONWNGCSKKPIYET-ZUIBQFLOSA-N 325.199 2.541 50 1 EFGF C[C@@H]1C[C@]12C(=O)OC(=O)C1=C(C(=O)C[C@@H]3C(C)(C)CCC[C@@]13C)[C@@H]2O 2356341993 CLLCVCXYAZNYNQ-RISNTEICSA-N 346.423 2.559 50 1 EFGF CC(C)(Br)[C@H](Br)CC[C@@]1([C@H]2CO2)CO1 299816254 WCSBTSWCLLSCFB-MRTMQBJTSA-N 328.044 2.871 50 1 EFGF Cc1cc2c(cc1F)[C@@](C)([C@@H](NC(=O)CCl)C(C)C)NCC2 962294324 BVAYVWWXLAOTJL-IRXDYDNUSA-N 326.843 2.875 50 1 EFGF CCc1ccc(/C=N/NC(=O)c2ccc(OCCN(C)C)cc2)cc1 1772603139 RLSNEVZWDILVEW-RCCKNPSSSA-N 339.439 2.953 50 1 EFGF CC=C(C=O)[C@@H]1C[C@@H]2c3c(c4cc(O)ccc4n3[C@H](O)C1)CCN2C 2356663295 AIENSZLGKYKXFJ-UPRAQXHNSA-N 340.423 2.922 50 1 EFGF C[C@H](N)[C@@H]1CC[C@@H](C)C2(C1)OOC1(C[C@H]([C@@H](C)N)CC[C@H]1C)OO2 64527323 BUROIDFHGMDKOU-GIDLJMBWSA-N 342.480 2.856 50 1 EFGF COc1cc(/C=C(\C#N)n2nc3ccccc3n2)cc(OC)c1OC 34073186 HMDROLLCOQDVFD-MDWZMJQESA-N 336.351 2.979 50 1 EFGF Cc1cc(O)nc(NN2[C@H](Cl)C(=O)[C@H]2c2ccc(Cl)cc2)n1 263608870 UKZGBTCOHPEUIE-YPMHNXCESA-N 339.182 2.662 50 1 EFGF CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2ccc(O)nc2=O)C[C@H]1F 253640047 UCKHKSBXKBGHKE-MDZLAQPJSA-N 344.459 2.596 50 1 EFGF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2ccc(C(=O)NN)cc2[nH]1 587931241 RKSCZCVLHMNMGC-BFUOFWGJSA-N 336.395 2.620 50 1 EFGF O=P(O)(O)[C@@H](Cl)c1ccc([C@H](Cl)P(=O)(O)O)cc1 27558965 UXQVJVQZIOBDOV-HTQZYQBOSA-N 335.016 2.517 50 1 EFGF COc1ccc(OC)c(Sc2ccccc2CNNC(N)=O)c1 40430064 UHBCEENQGBUVOD-UHFFFAOYSA-N 333.413 2.528 50 1 EFGF CCCc1c(O)ccc2c1O[C@H]([C@@H](Cl)C(=O)OCC)CC2=O 587458245 IJJNLHWDTSMYLS-UONOGXRCSA-N 326.776 2.849 50 1 EFGF N#Cc1c(NC(=O)CCl)c(C(=O)Nc2ccccc2)n2c1CCC2 103280016 OTNUNOLPQSXQFU-UHFFFAOYSA-N 342.786 2.736 50 1 EFGF C#CC=CC[C@H](Cl)[C@@H]1C[C@H](OC(C)=O)[C@@H](O)C=C[C@H](CC)O1 2356801768 QUFYLYOBGYXOHP-WOYTXXSLSA-N 326.820 2.590 50 1 EFGF COc1ccccc1N1C(=O)/C(=N/c2ccccc2O)[C@@H](Cl)C1=O 169688574 KSWXVEZASUXVJS-CVALACBASA-N 344.754 2.654 50 1 EFGF COc1cc(/C=C(\C#N)n2nnc3ccccc32)cc(OC)c1OC 34073986 FADKXRZPOVBURM-MDWZMJQESA-N 336.351 2.979 50 1 EFGF C=C1C(=O)O[C@@H]2C=C(C)C[C@H](C(=O)[C@H](C)CC)C=C(C=O)C[C@H](O)[C@@H]12 2356466845 UXZOBEGUIPHMIO-COWMOVNHSA-N 346.423 2.542 50 1 EFGF CC(=O)CCC1(Cc2ccc([N+](=O)[O-])cc2)C2(C)OOC1(C)OO2 223803079 YTBJFPBDHLAYAW-UHFFFAOYSA-N 337.328 2.849 50 1 EFGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@H](Br)C1=O)O2 587373444 QTBIQUORIBCQKA-BONVTDFDSA-N 338.201 2.798 50 1 EFGF CCCc1c(O)ccc2c1O[C@@]1(COC(CCl)=CC1=O)CC2=O 587462498 ZVKOWNRJXHICNT-QGZVFWFLSA-N 336.771 2.771 50 1 EFGF CCCc1c(O)ccc2c1O[C@]1(COC(CCl)=CC1=O)CC2=O 587462494 ZVKOWNRJXHICNT-KRWDZBQOSA-N 336.771 2.771 50 1 EFGF CC(=O)NNc1nc(C)c(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)s1 17210677 ONQVBEOFGINRMN-VOTSOKGWSA-N 346.368 2.719 50 1 EFGF C#CC=CC[C@H](Cl)[C@@H]1C[C@H](O)[C@@H](OC(C)=O)C=C[C@@H](CC)O1 2356793302 HDYZHQCPGQNLNH-XAJHFOFHSA-N 326.820 2.590 50 1 EFGF COc1ccc2c(c1)CCC=C2Cc1nc2ccc(C(=O)NN)cc2[nH]1 587934013 FAHVIFGQPTXZMQ-UHFFFAOYSA-N 348.406 2.747 50 1 EFGF O=[N+]([O-])OC[C@@H](CSSc1ccc(Cl)cc1)O[N+](=O)[O-] 38462615 XIZILHHEGWWAQY-QMMMGPOBSA-N 340.766 2.866 50 1 EFGF CCCC[C@@H](/C=N/NC(=O)C(F)(F)F)NC(=O)OC(C)(C)C 28570441 GIRLGOAOXNSBKP-PCYPHTAMSA-N 325.331 2.734 50 1 EFGF COc1ccc2c(c1)O[C@@H]1C=C(N)C(C#N)=C(N)[C@@H]1[C@@H]2c1ccccc1 101033696 LTCAAXRZSDYWQZ-AQNXPRMDSA-N 345.402 2.797 50 1 EFGF O=C(CCc1nnc2sc(CCl)nn12)c1nc2ccccc2[nH]1 95589206 ZTRKIFVLEBCFFY-UHFFFAOYSA-N 346.803 2.616 50 1 EFGF CCOC(=O)CC[C@@]12CC[C@H]3[C@H](C)CC[C@@H]4CCO[C@H](O1)[C@@]34OO2 169339382 MPXASXHUBOKDCE-WNIVTNPTSA-N 340.416 2.946 50 1 EFGF COc1ccc2c(c1)O[C@H]1C=C(N)C(C#N)=C(N)[C@@H]1[C@@H]2c1ccccc1 101033698 LTCAAXRZSDYWQZ-ZCNNSNEGSA-N 345.402 2.797 50 1 EFGF CC1(C)O[C@H]([C@](C)(O)/C=C/Br)C[C@H]1Br 86036105 UIVSTSHQZIFSSM-WFWWRNNBSA-N 328.044 2.977 50 1 EFGF NCCSSCCNC(=O)c1cc(F)c(F)c(Cl)c1F 618007806 QSELMRHAWYSBRS-UHFFFAOYSA-N 344.811 2.827 50 1 EFGF O=c1oc(OCCCBr)cc2ccc([N+](=O)[O-])cc12 40429322 QAXQMWFUZAKDPR-UHFFFAOYSA-N 328.118 2.865 50 1 EFGF CCOC(=O)c1cc(-c2ccc(OC)cc2)[nH]c1NNC(=O)C(C)C 40407988 OLMLNQYJVZCCNH-UHFFFAOYSA-N 345.399 2.966 50 1 EFGF CC(=O)c1cccc(C(=O)NNC(=O)c2ccc(-n3cccc3)cc2)c1 1772650009 JTOOHKOCLBATFM-UHFFFAOYSA-N 347.374 2.755 50 1 EFGF Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)cc(C(=O)NN)c12 28639845 ZYGMVQDLXXIBEZ-UHFFFAOYSA-N 343.390 2.999 50 1 EFGF CC(C)(NC(=O)CCl)c1nc2ccc(Br)cc2[nH]1 587008723 QYFAOTRKPCQWAU-UHFFFAOYSA-N 330.613 2.916 50 1 EFGF N#C/C=C(\C(N)=C(C#N)C#N)c1ccc(-c2cccc(C(=O)O)c2)o1 44265268 FXNVCOQWMFCJKF-NSIKDUERSA-N 330.303 2.812 50 1 EFGF CCOC(=O)C(Cc1ccccc1)(OOC(C)(C)C)C(=O)OCC 95555183 BIXSJZLLZPYULT-UHFFFAOYSA-N 338.400 2.841 50 1 EFGF Cc1ccc(CC(=O)N(C)CCSSCCN(C)C)cc1 618010180 RNIFOZOVLCPGPQ-UHFFFAOYSA-N 326.531 2.939 50 1 EFGF CCCc1c(O)ccc2c1O[C@@](CCl)(COC(C)=O)CC2=O 587458249 INMJHRBAEARFNV-INIZCTEOSA-N 326.776 2.851 50 1 EFGF O=C(N/N=C/c1ccccc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3093575 YSZCQZUMXQHNAJ-LZYBPNLTSA-N 348.702 2.920 50 1 EFGF O=C(N/N=C\c1ccccc1C(=O)O)c1ccccc1Br 12488313 RPLVSSRSRVNDNU-MFOYZWKCSA-N 347.168 2.911 50 1 EFGF O=P(O)(O)[C@H](Cl)c1cccc([C@@H](Cl)P(=O)(O)O)c1 27563409 OLDRYXPYTAKXIQ-YUMQZZPRSA-N 335.016 2.517 50 1 EFGF O=C(N/N=C/c1ccc(O)cc1)c1nc(-c2ccc(Cl)cc2)no1 45366890 FZYPRNPHXLXXFV-GIJQJNRQSA-N 342.742 2.860 50 1 EFGF O=C(CN1CCc2sccc2C1)N/N=C/c1ccc(Cl)cc1 103238997 YYTAZEAYRDEDEU-GIJQJNRQSA-N 333.844 2.910 50 1 EFGF C/C(C=O)=C1\C(=O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@H](O)[C@]1(C)C(=O)O 38494166 PDWLHNPWJPOTFR-YLROMOCVSA-N 348.439 2.759 50 1 EFGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cnccn1)O2 587372442 ISNLKHWCZJMGBO-OAHLLOKOSA-N 348.200 2.623 50 1 EFGF NC1CCC(OC(=O)c2cc3cc(CCl)ccc3oc2=O)CC1 28572277 LVFCLIZCEAULSD-UHFFFAOYSA-N 335.787 2.959 50 1 EFGF COc1cc([C@H]2Oc3c(O)cc(/C=C/C=O)cc3[C@H]2CO)ccc1O 238776497 JMCMHSCTPQLERA-HEFFKOALSA-N 342.347 2.528 50 1 EFGF CC1(C)O[C@H]([C@@](C)(O)C=CBr)C[C@@H]1Br 2356505914 UIVSTSHQZIFSSM-NRPADANISA-N 328.044 2.977 50 1 EFGF Oc1nc(O)c2ccc([C@H](Br)c3ccccc3)nc2n1 587365088 AXCDTMVADFKZRE-LLVKDONJSA-N 332.157 2.920 50 1 EFGF CC(=O)OC(=O)c1ccccc1C(=O)c1ccc(F)c([N+](=O)[O-])c1 14191212 CLKBXQUHUHIIKD-UHFFFAOYSA-N 331.255 2.668 50 1 EFGF O=[N+]([O-])c1cc2nc(/C=C/CBr)[nH]c2cc1[N+](=O)[O-] 586973362 INYBSKQKQQHBLZ-OWOJBTEDSA-N 327.094 2.787 50 1 EFGF CN(C)CCSSCCNC(=O)COc1cccc(Cl)c1 618008987 ODFRHHBQQMWOHJ-UHFFFAOYSA-N 348.921 2.778 50 1 EFGF CC(C)(Br)[C@H](Br)CC[C@@]1([C@@H]2CO2)CO1 5715076 WCSBTSWCLLSCFB-WEDXCCLWSA-N 328.044 2.871 50 1 EFGF CC1=C(C=O)[C@@H]2[C@H](C1)C(=O)C(CO)=CC[C@]2(C)CC=CC(C)(C)O 2356754096 GCEMWHSWGVIYRO-KNBMTAEXSA-N 332.440 2.753 50 1 EFGF CN(C)CCSSCCN(C)C(=O)c1ccc2n[nH]cc2c1 618010379 WCWQSFNJDPXYRG-UHFFFAOYSA-N 338.502 2.578 50 1 EFGF N[C@@]1(C(=O)O)C[C@H]2C[C@H]1c1cc(N(CCCl)CCCl)ccc12 261189674 YRQXMOLKTOHTOE-OOVXXXAESA-N 343.254 2.727 50 1 EFGF C=C(C)[C@H](O)CC[C@H](C)[C@@H]1CC[C@]2(C)[C@H](O)CC=C(C=O)[C@@]12C=O 2356635636 FGQBUPFFWVREBP-BWAKRKKZSA-N 334.456 2.831 50 1 EFGF O=C(NNC(=S)Nc1ccccc1)c1nsc2ccccc12 6514419 OCKCEWFATKATKJ-UHFFFAOYSA-N 328.422 2.928 50 1 EFGF C[C@]12CC[C@H]3[C@@H](CC[C@H]4[C@](O)(C#N)[C@H](O)CC[C@]34C)[C@@H]1CCC(=O)O2 139906691 FTVJLTOZPAYRAH-ZEWWYSFISA-N 347.455 2.550 50 1 EFGF O=C(N/N=C/c1ccccc1C(F)(F)F)c1ccc([N+](=O)[O-])o1 58506685 XOZIYNAAUZAVLO-REZTVBANSA-N 327.218 2.971 50 1 EFGF CC(=O)c1cccc(C(=O)NCCSSCCN(C)C)c1 618008481 HISWJUNZEBKKAI-UHFFFAOYSA-N 326.487 2.562 50 1 EFGF CN(C)/C=C(/C#N)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587572130 NZLZFWYXSLEDBJ-JUOIPOFTSA-N 336.347 2.691 50 1 EFGF COc1ccc(-n2nc(-c3ccc(Cl)cc3)cc2C(=O)NN)cc1 957611441 BWGOZYDREIGCJI-UHFFFAOYSA-N 342.786 2.805 50 1 EFGF Cc1cc(O)nc(NN2[C@H](Cl)C(=O)[C@H]2c2cccc(Cl)c2)n1 254080583 WELQOSZRBQEHGS-YPMHNXCESA-N 339.182 2.662 50 1 EFGF CCOC(=O)CC[C@@]1(CCl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587418290 TYVZJECNPMHSQR-PXAZEXFGSA-N 338.787 2.764 50 1 EFGF C#CC=CC[C@@H]1O[C@H]2C[C@H](Br)[C@@H](CC)O[C@H]1C[C@H]2OO 2356378471 LKCIGYCRLQLMBC-JLZCTACVSA-N 345.233 2.913 50 1 EFGF CC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)/N=N/c1ccc(C#N)cc1 42878431 DKJFSKAEUKKGLX-CCWVLBSLSA-N 349.394 2.763 50 1 EFGF COc1ccc([C@@H]2C[C@@H]2C(=O)NNc2nncc3ccccc23)cc1 49067259 ZDKBPSRSJLMORT-IRXDYDNUSA-N 334.379 2.885 50 1 EFGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccncn1)O2 587375426 SDHRTFLZKIAYLC-OAHLLOKOSA-N 348.200 2.623 50 1 EFGF COC(C)(C)[C@H](Br)c1nc2cncc([N+](=O)[O-])c2[nH]1 586971730 XNSSYDXYQPZPOI-SECBINFHSA-N 329.154 2.727 50 1 EFGF O=C(NNc1ncnc2sc3c(c12)CCCC3)c1ccccn1 1772644155 XTLFNBBTSOHDQA-UHFFFAOYSA-N 325.397 2.722 50 1 EFGF O=C(NNc1cc(C(F)(F)F)ccc1Cl)c1ccc(=O)[nH]c1 15982135 UXWRGOMJKALADM-UHFFFAOYSA-N 331.681 2.804 50 3 EFGF CC(=O)c1cccc(C(=O)NCCCSSCCN(C)C)c1 618012387 DKEOMPTWHZERJO-UHFFFAOYSA-N 340.514 2.952 50 1 EFGF CCN1N=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H](Cl)C1=O 587503168 XHDUKXNKBIOZQW-FUHWJXTLSA-N 346.814 2.725 50 1 EFGF CC1(C)CCC[C@]2(C)c3c(oc4c(B(O)O)c(O)c(O)cc34)CC[C@@H]12 217488795 FKFXIIKVWQCPFN-DJJJIMSYSA-N 344.216 2.554 50 1 EFGF OC[C@@H](O)[C@@H](O)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586886868 CGQOFYSMXJJKSB-RKDXNWHRSA-N 334.266 2.607 50 1 EFGF O=C(CCl)N[C@@H](Cc1ccco1)C(=O)Nc1cccc(Cl)c1 103283288 WJANTVGEGSDTKF-ZDUSSCGKSA-N 341.194 2.838 50 1 EFGF N#CC1=C(Nc2ccccc2)/C(=C/N/N=C/c2ccccc2)C=NC1=O 100477306 STFXTBGUVWJJOO-TWKIWPCTSA-N 341.374 2.995 50 3 EFGF C[C@H](CO)C1=C2[C@@H]3CC=C(C=O)CC(=O)[C@]3(C)CC[C@@]2(CO)CC1 2356721195 XQEPJFHJUOQRQV-HCAQKZJRSA-N 332.440 2.588 50 1 EFGF CCOC1=C/C(=C2/C=C(c3ccc(C)o3)NC(N)=C2C#N)C=CC1=O 34209460 NLVRICXBDBWZQH-SEYXRHQNSA-N 335.363 2.582 50 3 EFGF COC(=O)CCCCCCC(=O)N/N=C/c1ccc([N+](=O)[O-])s1 95809405 GEJPKFARLFPOLP-XNTDXEJSSA-N 341.389 2.620 50 1 EFGF CC(C)(C)c1ccc2nc(CCNC(=O)CBr)[nH]c2c1 586970834 HRLIAPKADGNTDI-UHFFFAOYSA-N 338.249 2.914 50 1 EFGF C[C@H](CO)[C@]12CC[C@]3(C)CC[C@]4(C)C(=O)CC(C=O)=CC[C@@H]4[C@]31O2 2356413400 BEDOXLKSBWDRGE-YLZOMSAMSA-N 332.440 2.827 50 1 EFGF CC(C)(F)[C@@H](Br)c1nc2ccc(-n3cnnn3)cc2[nH]1 587087488 QYVCGZWZZSRJNY-JTQLQIEISA-N 339.172 2.723 50 1 EFGF CC(C)CN(NC(=O)OC(C)(C)C)c1nc(Cl)ncc1[N+](=O)[O-] 58548389 RPUMFZQRFRMCBA-UHFFFAOYSA-N 345.787 2.940 50 1 EFGF CC(=O)/C=C/N1C(=O)[C@H](C)[C@@H]2CC[C@@H](C)[C@@H]3CC[C@]4(C)OO[C@]32[C@H]1O4 103195961 GYNQHFRTCGXINO-WRWJOVPHSA-N 349.427 2.783 50 1 EFGF C[C@](O)(CCl)COC1=C[C@H]2Oc3ccccc3C(=O)[C@@H]2C(O)=C1 64552942 DEGDWHGFCLTYIK-INMHGKMJSA-N 336.771 2.592 50 1 EFGF CC12OOC(C)(OO1)C2CCC(=O)NC12CC3CC(CC(C3)C1)C2 95555622 VWGMDQNNUZSKMB-UHFFFAOYSA-N 337.416 2.824 50 1 EFGF COCC1=C(C(=O)OC)[C@@H](c2ccccc2Cl)C(C#N)=C(C)N1 58576588 OLEMIRNFAJNPKY-HNNXBMFYSA-N 332.787 2.898 50 1 EFGF C=C(C)[C@H](O)CC[C@H](C)[C@@H]1CC[C@]2(C)[C@H](O)CC=C(C=O)[C@]12C=O 2356635639 FGQBUPFFWVREBP-ZABSUHAISA-N 334.456 2.831 50 1 EFGF N[P@](=O)(OCc1ccc([N+](=O)[O-])o1)N(CCCl)CCCl 101349723 QWLIQXBMVJMRMF-FQEVSTJZSA-N 346.107 2.551 50 1 EFGF C[C@@](O)(CCl)COC1=C[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(O)=C1 64552951 DEGDWHGFCLTYIK-ZMSDIMECSA-N 336.771 2.592 50 1 EFGF NNC(=O)c1ccc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c1 587152055 JRAZWGNONIVIBL-MNOVXSKESA-N 328.322 2.716 50 1 EFGF CCOC1=C/C(=C2/C=C(c3ccc(C)cc3)NC(N)=C2C#N)C=CC1=O 34209452 RVKVVUSVJDLEBC-NXVVXOECSA-N 345.402 2.989 50 3 EFGF CN1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccco2)/C(=C/c2ccco2)C1 40781807 CNIUGFSRNOTWKL-UEICXMAYSA-N 335.363 2.963 50 1 EFGF CC(C=O)=C1C(=O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@H](O)[C@]1(C)C(=O)O 2356383517 PDWLHNPWJPOTFR-UZPSGNAWSA-N 348.439 2.759 50 1 EFGF O=C1c2ccccc2C(=O)N1C/C=N/Nc1nc(CCl)cs1 653704196 NESOUKKWAFURKG-FZSIALSZSA-N 334.788 2.576 50 1 EFGF CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(C(=O)O)c1 13586176 IUSQEISAHZZEEN-QGZVFWFLSA-N 335.363 2.669 50 1 EFGF N#Cc1cccc(NCC(=O)N/N=C/c2c(Cl)cncc2Cl)c1 201288913 ZYJDNFZAQYGKGA-AERZKKPOSA-N 348.193 2.822 50 1 EFGF COc1cc(OC)c2c(=O)oc([C@H](Cl)[C@@H](O)CCl)cc2c1 1857631205 PXZNVKGVHPZSHR-TVQRCGJNSA-N 333.167 2.690 50 1 EFGF C[C@]12CC[C@@H]3[C@H](CC[C@H]4[C@@](O)(C#N)[C@H](O)CC[C@]34C)[C@@H]1CCC(=O)O2 195140870 FTVJLTOZPAYRAH-YYTAKNRQSA-N 347.455 2.550 50 1 EFGF CC1(C)C(=O)C(C#N)=C[C@]2(C)C3=CC(=O)CC[C@]3(C(=O)O)CC[C@@H]12 38387843 OHKFMXLSXZTPAM-AGRHKRQWSA-N 327.380 2.822 50 1 EFGF O=C(CCc1ccccc1)NN/C=C1\C=C(Br)C=CC1=O 13118984 NYGROKMENFSPKW-ACCUITESSA-N 347.212 2.542 50 3 EFGF O=C(NN/C=N\c1ccc(Br)c(F)c1)c1ccncc1 73141599 DEJXAIYEQFPGFN-UHFFFAOYSA-N 337.152 2.578 50 1 EFGF COC(=O)c1ccnc2[nH]c([C@@H](Br)C(C)(C)OC)nc12 586970880 HXRXDTAHHYEEEK-SECBINFHSA-N 342.193 2.606 50 1 EFGF Cc1nn(C)c(NC(=O)C(Cl)Cl)c1C(=O)c1ccccc1F 29395844 BMINUAKSCOCKCA-UHFFFAOYSA-N 344.173 2.841 50 1 EFGF O=C1OC(=C(Br)Br)C=C1CBr 29038916 MINWIWQMXWULJD-UHFFFAOYSA-N 346.800 2.823 50 1 EFGF CC1=C(C=O)[C@@H]2[C@@H](C1)C(=O)C(CO)=CC[C@]2(C)CC=CC(C)(C)O 2356754099 GCEMWHSWGVIYRO-SYNHAJSKSA-N 332.440 2.753 50 1 EFGF N#C/C=C1/c2ccccc2N=C(N2CCO[C@H](CO)C2)c2ccccc21 49627525 ZAEBVBAECKSBLV-ZUZCKIMGSA-N 345.402 2.727 50 1 EFGF CN1C(=O)C[C@@H]2CN[C@]3(C=C[C@@H](Br)C3)c3cccc1c32 963033162 PZKVJDHLGFCAGX-UVWXRNBGSA-N 333.229 2.659 50 1 EFGF CCOC(=O)CSC1=C(C#N)[C@@H](c2sccc2C)CC(=O)N1 178137 VFWQYZMJNKMQMR-JTQLQIEISA-N 336.438 2.692 50 3 EFGF C=C(C=O)[C@@H]1CCC2=C(C1)C(=O)[C@H](O)[C@H]1C(C)(C)[C@@H](O)CC[C@]21C 2356647990 KHXPUTCGVCTBNK-XJBYCVLGSA-N 332.440 2.585 50 1 EFGF CC1=C[C@@H]2[C@H](C(C)C)CC[C@@]34CO[C@@]5(OO3)C(=C(C1=O)[C@H](O)[C@@H]5C)[C@@H]24 2356416409 SELAHBLHWQPORJ-ZXAWQGSWSA-N 346.423 2.548 50 1 EFGF O=C(NNc1ccc(F)cc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 27304012 JMTGBVJAORYMBY-UHFFFAOYSA-N 342.286 2.541 50 1 EFGF CC(C=O)=CCC[C@](C)(O)[C@H](O)C=CC(C)=CC(=O)c1ccc[nH]1 2356475253 UUEGKBXDGVAPLG-MOPGFXCFSA-N 331.412 2.737 50 1 EFGF C[C@H](Oc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1)C(=O)NN 587211395 QJBNRRPZNVQSPE-LBPRGKRZSA-N 333.391 2.758 50 1 EFGF COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C(=O)O)co1)[C@@H](C2)C3=O 587421867 NNXBCFMNYKMPIS-APPDUMDISA-N 348.738 2.868 50 1 EFGF CCCc1c(O)ccc2c1O[C@@](CC)(CNC(=O)CCl)CC2=O 587462303 XLWBTRHWCMLAMX-QGZVFWFLSA-N 339.819 2.814 50 1 EFGF COc1cncc([C@H]2C(C#N)=C(N)Oc3c2ccc2c3ccn2C)c1 38421550 ISCULTSSKZPFLB-QGZVFWFLSA-N 332.363 2.800 50 1 EFGF COC(=O)CCCCCCC(=O)N/N=C/c1ccc(N(C)C)cc1 95808914 GZQWOSUVVWAUSV-XMHGGMMESA-N 333.432 2.716 50 1 EFGF COC(=O)c1ccnc2[nH]c([C@@H](Br)C(C)(C)F)nc12 587086543 CSKOQXXKIHLSMZ-MRVPVSSYSA-N 330.157 2.929 50 1 EFGF O=C(N/N=C/c1cc(O)ccc1Br)c1ccccc1O 95808647 BQMPLCUINIARAF-LZYBPNLTSA-N 335.157 2.624 50 1 EFGF N#CC1=C(Nc2ccccc2)/C(=C/N/N=C\c2ccccc2)C=NC1=O 100477301 STFXTBGUVWJJOO-PUJHWTPZSA-N 341.374 2.995 50 1 EFGF CC(C)(C(=O)N1CCCCC1)c1ccc(S(=O)(=O)/C=C/C#N)cc1 73295817 MTFFZUXZVMPRTP-MKMNVTDBSA-N 346.452 2.788 50 1 EFGF C[C@@H](Cl)C(=O)Nc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 587367161 UMUVGDRSPRGGJL-MRVPVSSYSA-N 344.758 2.669 50 1 EFGF C[C@@]1(c2c[nH]c(C(=O)NN)c2)NCCc2cccc(-c3ccccc3)c21 962661774 KMZNVWINMTXDOP-NRFANRHFSA-N 346.434 2.694 50 1 EFGF NCCSSCCCNC(=O)c1ccc(C(F)(F)F)nc1 618007613 HXKVSOGWRMBBAQ-UHFFFAOYSA-N 339.408 2.560 50 1 EFGF COc1cc(/C=N/NC(=O)OCc2ccccc2)cc(OC)c1OC 299839120 QELYFRAMBKLWFU-YBFXNURJSA-N 344.367 2.973 50 1 EFGF CCCc1c(O)ccc2c1O[C@@H]([C@@H](Cl)C(=O)OCC)CC2=O 587458246 IJJNLHWDTSMYLS-ZIAGYGMSSA-N 326.776 2.849 50 1 EFGF O=C(NCCCl)/C(Cc1ccc(OCc2ccccc2)cc1)=N\O 299863720 PRORPGYEDLLOMP-FXBPSFAMSA-N 346.814 2.993 50 1 EFGF C=C1C(=O)O[C@@H]2CC(C=O)=CCCC(COC(=O)C(C)C)=CC[C@H]12 2356315320 NNMJTYULHBUMPC-IAGOWNOFSA-N 332.396 2.909 50 1 EFGF Cc1cc(C(=O)NCCCSSCCN(C)C)cc(C)n1 618017035 ABQAQRKCHFDHSP-UHFFFAOYSA-N 327.519 2.761 50 1 EFGF Cn1cc(C(=O)Cl)c(C(=O)c2coc3cc([N+](=O)[O-])ccc23)n1 587279820 BUOFQVOOJIVJMF-UHFFFAOYSA-N 333.687 2.685 50 1 EFGF Cn1ncc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)n1 587497156 HJKRVCPWDMWSJA-KRWDZBQOSA-N 331.803 2.793 50 1 EFGF O=C(N/N=C/CCC/C=N/NC(=O)c1ccco1)c1ccccc1 1857773501 RNAFMRQOGNYUEH-GDAWTGGTSA-N 326.356 2.581 50 1 EFGF C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)C(C=O)=C[C@@]43C)[C@@H]1CC[C@@]2(C)O 34962065 AMVODTGMYSRMNP-MNWLJHKSSA-N 344.451 2.585 50 1 EFGF O=C(NNC(=S)NC12CC3CC(CC(C3)C1)C2)c1cccs1 5945334 KZDFUFRAYZYTHU-UHFFFAOYSA-N 335.498 2.826 50 1 EFGF OC[C@@H](O)[C@H](O)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586886856 CGQOFYSMXJJKSB-BDAKNGLRSA-N 334.266 2.607 50 1 EFGF O=C(N/N=C\c1coc2ccc(Cl)cc2c1=O)c1ccncc1 15885179 XMDBONHIROJGRV-UWVJOHFNSA-N 327.727 2.605 50 1 EFGF Cc1ccc([C@@H]2[C@@H](Cl)C(=O)N2n2cnc3ccccc3c2=O)cc1 1632113 NVUKHYBENWSVTK-HZPDHXFCSA-N 339.782 2.532 50 1 EFGF COc1ccc2c(c1)O[C@@H]1C=C(N)C(C#N)=C(N)[C@H]1[C@@H]2c1ccccc1 101033701 LTCAAXRZSDYWQZ-VAMGGRTRSA-N 345.402 2.797 50 1 EFGF CNc1ccccc1C(=O)NCCCSSCCN(C)C 618007974 OZTRAGDOTIFVIZ-UHFFFAOYSA-N 327.519 2.791 50 1 EFGF CN(/N=N/c1ccc(C(N)=O)cc1)C(=O)CCc1ccc(O)cc1 1772626622 KUOQZYUKMRFGCA-FMQUCBEESA-N 326.356 2.581 50 1 EFGF Cc1n[nH]c(O)c1CCC(=O)N/N=C/c1ccc(Cl)c(Cl)c1 4637604 XHHHKFJDIXDURI-REZTVBANSA-N 341.198 2.813 50 1 EFGF C=C(C=O)[C@@H]1CC[C@@H]2[C@H](C1)C(=O)[C@H](O)[C@@H]1C(C)(C)[C@@H](O)CC[C@@]12C 2356528100 PYTXCJKULGAJQT-VDCVGOBFSA-N 334.456 2.521 50 1 EFGF COc1ccc(Br)c(/C=N/NC(=O)c2ccccc2O)c1 95808999 DXJMDOQFQAEGED-RQZCQDPDSA-N 349.184 2.927 50 1 EFGF C=C(C)[C@H](O)CC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H](O)CC=C(C=O)[C@@]12C=O 2356635638 FGQBUPFFWVREBP-MWVHYEFZSA-N 334.456 2.831 50 1 EFGF C[C@H](c1ccc(CBr)cc1)c1nc2c(O)nc(O)nc2[nH]1 586972753 AXSBNNDWAUKDSD-SSDOTTSWSA-N 349.188 2.811 50 1 EFGF O=C(N/N=C\c1ccccn1)c1cc(-c2ccccc2Cl)n[nH]1 13113632 GYURXRSEDUYWHF-GRSHGNNSSA-N 325.759 2.889 50 1 EFGF C=C(C=O)[C@@H]1CC[C@@H]2[C@H](C1)C(=O)[C@H](O)[C@@H]1C(C)(C)[C@@H](O)CC[C@]12C 2356528097 PYTXCJKULGAJQT-HXBGULRUSA-N 334.456 2.521 50 1 EFGF Clc1cccc(CN(CCBr)CCn2cncn2)c1 95597628 NXURLHZDGJIFQP-UHFFFAOYSA-N 343.656 2.829 50 1 EFGF CC(=O)N/N=C(/c1ccccc1O)c1cc(Br)ccc1O 299835346 DMQSEOCYTDGKGA-SDXDJHTJSA-N 349.184 2.749 50 1 EFGF CC1=C[C@@H](O)CC(C=O)=CC[C@H]2CCC3=C(C(=O)[C@H]1[C@@H]3O)C2(C)C 2356607125 AXUHRYNGIPZCMR-GARXJVFOSA-N 330.424 2.505 50 1 EFGF CCCc1c(O)ccc2c1O[C@@H]([C@H](Cl)C(=O)OCC)CC2=O 587458244 IJJNLHWDTSMYLS-KGLIPLIRSA-N 326.776 2.849 50 1 EFGF CN1CC2=C(OC(N)=C(C#N)[C@H]2c2ccco2)/C(=C/c2ccco2)C1 40781805 CNIUGFSRNOTWKL-FWVUHSSSSA-N 335.363 2.963 50 1 EFGF O=C(O)CCCCCC(=O)N/N=C/c1cccc(Br)c1 95809353 SHZPFMMWTZHNFF-MHWRWJLKSA-N 341.205 2.934 50 1 EFGF CC1(C)COC(CCC/C=N/NC(=O)CCCCCC(=O)O)OC1 95809012 RSCHKAXEEQHXME-WOJGMQOQSA-N 342.436 2.693 50 1 EFGF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H](NC(=O)CCl)C(C)C)O2 587371509 GCKFSEOTAOINFW-IRXDYDNUSA-N 338.835 2.681 50 1 EFGF COC(=O)C(=O)[C@@H](Cl)[C@]1(C2CC2)c2ccc(C)c3c2C2(CC2)CN31 963728740 ITAWXDUSAMWPDS-APWZRJJASA-N 345.826 2.815 50 1 EFGF CCOC(=O)N/N=C(/C)c1ccc(/C(C)=N/NC(=O)OCC)cc1 12368874 JYIPIFIUTNMNPW-MJZABRMRSA-N 334.376 2.627 50 1 EFGF C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C#N 2356432210 SWAJIWWXRRYRDI-MKOCOSAPSA-N 329.440 2.744 50 1 EFGF Cc1cccc(NNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1 27304333 KLCCKDBHADMFII-UHFFFAOYSA-N 338.323 2.711 50 1 EFGF CCOC(=O)[C@@H](Cl)[C@@]1(CC)CC(=O)c2cc(C)cc(N)c2O1 587374279 VQJGZTYLMOGAOC-GDBMZVCRSA-N 325.792 2.862 50 1 EFGF Cc1cc2c(cc1Cl)[C@]1(C(C#N)=CO2)c2c(cnn2C)CCN1C 963954202 HVMWJIJJYMQRKG-GOSISDBHSA-N 340.814 2.913 50 1 EFGF Cc1noc(C)c1[C@]1(CCl)N[C@H](C(=O)O)Cc2cc(F)ccc21 962891677 CDMLIVSTDNJBNP-XJKSGUPXSA-N 338.766 2.512 50 1 EFGF N#C/C(=C1/Nc2ccccc2S1)c1ccnc(N2CCOCC2)n1 13647697 MQDNXAAZNIRIGO-FOWTUZBSSA-N 337.408 2.723 50 1 EFGF C=C(C)[C@H](O)CC[C@H](C)[C@H]1CC[C@]2(C)[C@H](O)CC=C(C=O)[C@]12C=O 238771753 FGQBUPFFWVREBP-WBUMTXOPSA-N 334.456 2.831 50 1 EFGF CCO[C@H](C)c1nc(C)c(-c2nc3ccc(C(=O)NN)cc3[nH]2)s1 587014216 JBKHXENTAPSGBJ-SECBINFHSA-N 345.428 2.696 50 1 EFGF CC=C(C=O)[C@H]1C[C@H](O)n2c3c(c4cc(O)ccc42)CCN(C)[C@@H]3C1 2356663297 AIENSZLGKYKXFJ-ZNOIYHFQSA-N 340.423 2.922 50 1 EFGF COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3cccnc3)o2)c1 473131333 OTXMYANPFGXXDT-CIAFOILYSA-N 349.346 2.892 50 1 EFGF CCN(CC)C(=S)SS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1860818 ASQJUHPOWYCHGI-UHFFFAOYSA-N 334.444 2.643 50 1 EFGF Cc1cccc(C)c1NC(=O)[C@H](Cc1ccco1)NC(=O)CCl 35949797 UGQKQXDFMKVXNS-AWEZNQCLSA-N 334.803 2.801 50 1 EFGF O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCCSCCCl 169347992 BQJSRANLRQGOSQ-UHFFFAOYSA-N 349.752 2.585 50 1 EFGF N#C[C@@H](c1ccccc1)C1CCN(S(=O)(=O)CCCCl)CC1 203403529 NRUUOFCJQCVYMU-INIZCTEOSA-N 340.876 2.964 50 3 EFGF N=C(CCl)NCCNC(=O)NCc1cccc(-c2ccccc2)c1 1857561473 NGLHWLJAOJUKDB-UHFFFAOYSA-N 344.846 2.958 50 1 EFGF CC1(C)[C@H]2CC=C(/C=N\NC(=O)c3ccc(C(=O)NO)cc3)[C@@H]1C2 95808382 ZKQKQBSOLWMYNB-HVHPIKSNSA-N 327.384 2.514 50 1 EFGF CN(C)NC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccccc1 5810455 QAKXRYSWNQMJTD-VBKFSLOCSA-N 343.814 2.704 50 1 EFGF CC(C)(C)OC(=O)NC1(/C=N/NC(=O)c2ccccn2)CCCC1 95809726 QAFQGFDGDGTPBQ-XDHOZWIPSA-N 332.404 2.635 50 1 EFGF COc1ccc(/C=N/N(C)C(=O)c2ccccc2OC)cc1OC 95555253 IFHDVPYZWWZGOY-XDHOZWIPSA-N 328.368 2.819 50 1 EFGF Cc1c(Cl)ccc2nc(CCNC(=O)CBr)[nH]c12 586971657 VMGXMLZSFVBNLZ-UHFFFAOYSA-N 330.613 2.578 50 1 EFGF C=CCC1=CC=C/C(=C\NNC(=O)[C@@H](C)Nc2ccc(C)cc2)C1=O 13119026 JBXSSKAAKMMPOZ-OVGFGYAMSA-N 337.423 2.942 50 3 EFGF CCc1cc(OCc2nc3ccc(C(=O)NN)cc3[nH]2)ccc1Cl 587052961 VQVLYWCFKNXCFC-UHFFFAOYSA-N 344.802 2.961 50 1 EFGF N#C/C(=C\c1cc(O)c(O)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1 218885620 NIFXYSCPDIUSCR-IZZDOVSWSA-N 325.280 2.552 50 1 EFGF N#CC1=C(N)Oc2[nH]nc(-c3ccc4c(c3)OCO4)c2[C@H]1c1ccco1 69919 XWOZQGPSZLLGGY-CQSZACIVSA-N 348.318 2.617 50 1 EFGF CC(C)[C@@H](C(=O)N/N=C1\C(=O)Nc2ccccc21)c1ccc(O)cc1 72178675 CJHGEERAKVDJAM-MRXNPFEDSA-N 337.379 2.604 50 1 EFGF NC(=O)NCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 49746580 BXNJQFRIDOQRLC-UHFFFAOYSA-N 336.432 2.672 50 1 EFGF N[C@H](CCc1ccccc1)[C@H](O)C(=O)NNc1cccc2ccccc12 27895055 IQUDYSVQHRRJKR-QUCCMNQESA-N 349.434 2.604 50 1 EFGF CCC(=O)N[C@H](c1ccco1)[C@@H]1C[C@@H](Cl)[C@@H]2CCCN=C2C1=O 169725006 KOWRUFLNZMXZHN-OHTBPHCPSA-N 336.819 2.894 50 1 EFGF C[C@@H](Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)NN 103176983 NWMICQSARXHMFX-MRVPVSSYSA-N 342.182 2.938 50 1 EFGF CC(C)(C)OC(=O)NC1(/C=N/NC(=O)c2ccccc2O)CCCC1 95808997 VBUGAUDTZZAJMR-XDHOZWIPSA-N 347.415 2.945 50 1 EFGF N[C@@]1(C(=O)O)C[C@@H]2C[C@@H]1c1cc(N(CCCl)CCCl)ccc12 169328900 YRQXMOLKTOHTOE-JJMVLAAESA-N 343.254 2.727 50 1 EFGF O=C(N/N=C\c1ccc(N2CCCCC2)o1)c1ccccc1[N+](=O)[O-] 15989510 AUBLAYUXVWSLCR-PDGQHHTCSA-N 342.355 2.942 50 1 EFGF CC(C)CN(NC(=O)OC(C)(C)C)c1nc(C#N)ncc1Cl 58569424 INKJXTACIJDFBF-UHFFFAOYSA-N 325.800 2.904 50 1 EFGF CC1(C)[C@H]2CC[C@]1(C)C(=O)C2=C(Cc1ccccc1)NNC(N)=O 2356842925 MZZNPTIXTGIDJB-ORAYPTAESA-N 327.428 2.681 50 1 EFGF CC1(C)O[C@@H]([C@@](C)(O)C=CBr)C[C@H]1Br 2356505913 UIVSTSHQZIFSSM-MRTMQBJTSA-N 328.044 2.977 50 1 EFGF CC(C=C[C@@H]1[C@](C)(O)[C@H](O)[C@H](O)[C@@H]2C(C)(C)CCC[C@@]12C)=CC=O 2356764012 XWVGZNYHKHGOKZ-ADXOPFBHSA-N 336.472 2.623 50 1 EFGF CC(C)(C)OC(=O)N1CCC[C@H]1/C=N/NC(=O)c1ccccc1O 95808646 GLHPNUCLNPRBGT-HWQJWEFDSA-N 333.388 2.507 50 1 EFGF COc1ccc(C(=O)NN/C=C2\Sc3ccccc3C2=O)cc1 13118956 ZHVRPPCIERHMBJ-GDNBJRDFSA-N 326.377 2.760 50 3 EFGF CN(C)c1cc[n+](C(C=C(C#N)C#N)=C(O)c2ccc(C#N)cc2)cc1 1857742423 VWODMHHUZMXACY-UHFFFAOYSA-O 342.382 2.769 50 1 EFGF N#C/C(=C(/O)COC(=O)c1ccc(O)cc1)c1nc2ccccc2[nH]1 101863123 CEIKOGKAEGGWNM-SSZFMOIBSA-N 335.319 2.918 50 1 EFGF C=C1C(=O)O[C@@H]2/C=C(/C)C/C=C\C(C=O)=C/[C@@H](OC(=O)C(C)C)[C@@H]12 34515394 DOLGCPLAINMHSM-KTCZLOIDSA-N 330.380 2.684 50 1 EFGF CCOC(=O)c1cc(Br)c2[nH]c([C@H](N)CCl)nc2c1 587009471 HELPVQXFUUSHGW-MRVPVSSYSA-N 346.612 2.741 50 1 EFGF C=C1C(=O)O[C@H]2CC(C=O)=CCCC(COC(=O)C(C)C)=CC[C@H]12 2356315322 NNMJTYULHBUMPC-SJORKVTESA-N 332.396 2.909 50 1 EFGF Cc1cccc2nc(C(C#N)=Cc3ccc(OCC(N)=O)cc3)[nH]c12 1857588342 YDIVAXYCJJGNOJ-UHFFFAOYSA-N 332.363 2.800 50 1 EFGF CCOc1ccc(OCC)c(C(=O)NCCSSCCN)c1 618007833 RDXPWMWMVLJEIA-UHFFFAOYSA-N 344.502 2.554 50 1 EFGF COC(=O)c1ccc2nc([C@H](Br)C(C)(C)F)[nH]c2n1 587087410 PXEMULRPILDZKG-QMMMGPOBSA-N 330.157 2.929 50 1 EFGF COc1ccc(C(O)=C(C=C(C#N)C#N)[n+]2ccc(OC)cc2)cc1 1857742445 ZYDPBLDVQZKBSZ-UHFFFAOYSA-O 334.355 2.849 50 1 EFGF COc1ccc(-c2cn(CCSSCCN(C)C)nn2)cc1 618012667 VFHICDSEHAJHHQ-UHFFFAOYSA-N 338.502 2.897 50 1 EFGF C[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)N/N=C\c1ccnn1C 13132946 ZDJULLXLSXXFBP-QQWZZVHASA-N 341.198 2.645 50 3 EFGF N#C/C(=C1/Nc2ccccc2S1)c1ccnc(NCCCO)n1 13647725 FKURLSHYSSGOCM-RVDMUPIBSA-N 325.397 2.681 50 1 EFGF CC(=O)O[C@]12C(=O)OC(=O)[C@]3(C)CCC[C@](C)(c4ccccc41)[C@H]23 2356685995 NYUIETATSKBTCZ-JEDBISTDSA-N 328.364 2.606 50 1 EFGF C=C(C)C(=O)O[C@H]1CC(C=O)=CCCC(C)=C[C@H]2OC(=O)C(=C)[C@H]12 1857627641 ALBLKGCDLVWTRM-IKGGRYGDSA-N 330.380 2.828 50 1 EFGF CCOC(=O)[C@H](Cl)[C@]1(CC)CC(=O)c2cc(C)cc(N)c2O1 587374286 VQJGZTYLMOGAOC-HOCLYGCPSA-N 325.792 2.862 50 1 EFGF C[C@H](C(=O)O)C1=C2[C@@H]3C[C@H]4O[C@@](O)(C=C4C=O)[C@]3(C)CC[C@@]2(C)CC1 2356571223 LRIPDOQBOGYERA-AESCQUSDSA-N 346.423 2.837 50 1 EFGF O=C(O)CCCC(=O)O[C@]12CCCC[C@@H]1[C@@H]1CCCC[C@]1(O)OO2 253635466 YSTWBFAHJRSZBO-RMHZUWNSSA-N 342.388 2.512 50 1 EFGF N[C@H](CCl)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587010982 PMFSBSNZWCBFPH-LLVKDONJSA-N 325.755 2.577 50 1 EFGF COc1ccc(Cl)cc1C#Cc1ccc(C2(C(=O)NN)CC2)cc1 587906268 XEIFHVLOUWINFQ-UHFFFAOYSA-N 340.810 2.770 50 1 EFGF COc1cc(OC[C@@H](O)CCl)cc2oc3ccccc3c(=O)c12 64553024 SEFNBIISRCTREN-JTQLQIEISA-N 334.755 2.933 50 1 EFGF COc1cc(C(F)(F)F)nc(-c2ccc(NC(=O)CCl)cn2)n1 64526869 HQPHWNQQDMBMDB-UHFFFAOYSA-N 346.696 2.743 50 1 EFGF C=CCC1=CC=C/C(=C\NNC(=O)[C@@H](C)Nc2cccc(C)c2)C1=O 13119049 HNZDSQINZAXWOX-OVGFGYAMSA-N 337.423 2.942 50 3 EFGF CO[C@@]12C[C@H](CC[C@@H]1C)[C@@](C)(CI)OO2 100925136 LVSKPZQYWLVRST-UKKRHICBSA-N 326.174 2.921 50 1 EFGF COC(=O)[C@H](Cl)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541316 AVVITZHFZIIYSU-WOSRLPQWSA-N 348.738 2.503 50 1 EFGF CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc([N+](=O)[O-])c1 34042659 PNHBABGLCCOXEK-KRWDZBQOSA-N 336.351 2.879 50 1 EFGF COc1ccc(/C=N/NC(=O)c2ccc3c(c2)OCCCO3)cc1 1772600012 FDPZAWSJSORHNP-XDHOZWIPSA-N 326.352 2.620 50 1 EFGF O=S(=O)(c1ccc2nc(CBr)[nH]c2c1)C(F)(F)F 586972358 NOUKNCYDCLIPLJ-UHFFFAOYSA-N 343.124 2.751 50 1 EFGF O=C(CCCCCNC(=O)c1ccccc1)N/N=C\c1ccco1 12732702 WVGXCTPLWQLIKY-ZHZULCJRSA-N 327.384 2.720 50 1 EFGF CO[C@]12C[C@H](CC[C@@H]1C)[C@@](C)(CI)OO2 43393799 LVSKPZQYWLVRST-MMWGEVLESA-N 326.174 2.921 50 1 EFGF COc1ccccc1CC(=O)NCCCSSCCN(C)C 618007977 PAHGMVVWBKPFPQ-UHFFFAOYSA-N 342.530 2.687 50 1 EFGF O=C1C[C@]2(C=C(CCl)OCC2=O)Oc2c1ccc1c2CCCC1 587497699 KPJYFLRNXQCWLM-SFHVURJKSA-N 332.783 2.991 50 1 EFGF ClC[C@@H]1[C@@H]2CO[C@H]3[C@H]2C[C@H]1[C@@H]3n1cnc2c(Cl)ncnc21 253683564 ONWNGCSKKPIYET-BVBIUWJJSA-N 325.199 2.541 50 1 EFGF N#C/C(=C/c1ccccc1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587188473 RLVLONVYTCPSIV-WQLSENKSSA-N 325.349 2.874 50 1 EFGF O=C(NN1C(=O)[C@H](Cl)[C@H]1c1ccc(Cl)cc1)c1ccncc1 103297003 GLUMHYBIXUSZOS-CHWSQXEVSA-N 336.178 2.571 50 1 EFGF C[C@@H]1C[C@](C)(O)C[C@@H]2[C@H](Cl)[C@H](O)[C@H](C)[C@@H](C=CC=CC(=O)O)[C@H]21 2356718960 LQERRSZNVUJFFC-QHJJWKNFSA-N 342.863 2.831 50 1 EFGF COc1cc2c3c(c1)O[C@H](c1cc(C(=O)CCl)c[nH]1)[C@@H](C2)C3=O 587423858 WPIXIOSYJQDSFR-GTNSWQLSSA-N 331.755 2.934 50 1 EFGF O=C(C[C@@H]1CC(c2ccc(O)cc2)=NO1)Oc1ccc(OO)cc1 169699794 WIAJTNPCBJSGHL-HNNXBMFYSA-N 329.308 2.733 50 1 EFGF CC1=CN2C(=N[C@@](c3cccn3C)(C(F)(F)F)C(C#N)=C2N)C=C1 621477906 YILFEPSOGONUTC-HNNXBMFYSA-N 333.317 2.664 50 1 EFGF C#CC=CC[C@@H]1O[C@H]2C[C@H](Br)[C@H](CC)O[C@H]1C[C@@H]2OO 2356378472 LKCIGYCRLQLMBC-LZXPERKUSA-N 345.233 2.913 50 1 EFGF C=C(C=O)[C@@H]1CCC2=C(C1)C(=O)[C@@H](O)[C@@H]1C(C)(C)[C@H](O)CC[C@@]21C 66251014 KHXPUTCGVCTBNK-IBKORDLPSA-N 332.440 2.585 50 1 EFGF CC(C)(C)c1ccc2c(c1)O[C@@H](C(=O)N/N=C/c1ccc[nH]1)CO2 550345 CISVJPXUQJEUAP-OVEPSTSESA-N 327.384 2.602 50 1 EFGF O=P(O)(N(CCCl)CCCl)N(CCCl)CCCl 43362155 GKHCGXABHZLRSB-UHFFFAOYSA-N 346.022 2.646 50 1 EFGF CC(C)(C)c1ccc2c(c1)O[C@H](C(=O)N/N=C/c1ccccn1)CO2 524291 JDJGSIZJBSTISP-RYFGYPJOSA-N 339.395 2.669 50 1 EFGF CC1=C[C@H](O)CC(C=O)=CC[C@H]2CCC3=C(C(=O)[C@H]1[C@@H]3O)C2(C)C 2356607126 AXUHRYNGIPZCMR-KJGCVMFHSA-N 330.424 2.505 50 1 EFGF CC(=O)O[C@]12c3ccccc3-c3ccccc3[C@@H]1[C@@H]1C(=O)OC(=O)[C@@H]12 96908262 UJAGUKNREZHAON-TVKQPGBESA-N 334.327 2.539 50 1 EFGF C[C@H](c1ccc(CBr)cc1)c1nc2c(N)ncnc2[nH]1 586974216 STQQJTBICVNKMB-MRVPVSSYSA-N 332.205 2.982 50 1 EFGF ClC[C@H]1[C@@H]2C[C@@H]3[C@@H]1CO[C@H]3[C@H]2n1cnc2c(Cl)ncnc21 169306505 ONWNGCSKKPIYET-RZPBMWDBSA-N 325.199 2.541 50 1 EFGF COC(C)(C)[C@@H](Br)c1nc2cncc([N+](=O)[O-])c2[nH]1 586971731 XNSSYDXYQPZPOI-VIFPVBQESA-N 329.154 2.727 50 1 EFGF O[C@H](CBr)C[n+]1cccc2cc(Br)ccc21 36382695 BFDXZPHRHIKBLR-LLVKDONJSA-N 346.042 2.646 50 1 EFGF O=C1Nc2ccccc2/C1=N\NC(=O)c1cc(/C=C\c2ccco2)on1 49112541 UEDQSXVXFVAJCC-FPLPWBNLSA-N 348.318 2.524 50 1 EFGF CC1(C)Oc2nc3ccccc3c(O)c2C[C@H]1SS(=O)(=O)O 28250996 NDKJUBPMNXDYQI-LLVKDONJSA-N 341.410 2.559 50 1 EFGF CC(/C=C/[C@H]1[C@](C)(O)[C@@H](O)[C@H](O)[C@H]2C(C)(C)CCC[C@@]21C)=C\C=O 137953541 XWVGZNYHKHGOKZ-UONADXLZSA-N 336.472 2.623 50 1 EFGF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@]2(CCC[C@@H](Br)C2)N1 962922295 PTSNXDWRIAQOGO-RIEGTJTDSA-N 342.208 2.957 50 1 EFGF COC(=O)[C@]12CCC(=O)C=C1[C@@]1(C)C=C(C#N)C(=O)C(C)(C)[C@@H]1CC2 38410814 SZCUYBNBHUIQEL-GKCIPKSASA-N 341.407 2.910 50 1 EFGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC[C@H](Br)C1=O)O2 587373446 QTBIQUORIBCQKA-ZUZCIYMTSA-N 338.201 2.798 50 1 EFGF CC(=O)Nc1ccc(NC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 28363336 FYIXLFNYMIQLHN-LICLKQGHSA-N 341.327 2.709 50 1 EFGF COc1ccc2c(c1)O[C@H]1C=C(N)C(C#N)=C(N)[C@@H]1[C@H]2c1ccccc1 195330718 LTCAAXRZSDYWQZ-UFYCRDLUSA-N 345.402 2.797 50 1 EFGF O=C1C=CC(=CNNC(=O)CSc2ccc3ccccc3n2)C=C1 13130843 GSVZANQJWFEOFR-UHFFFAOYSA-N 337.404 2.527 50 3 EFGF Cc1noc(C)c1[C@@]1(CCl)N[C@H](C(=O)O)Cc2cc(F)ccc21 962891675 CDMLIVSTDNJBNP-BBRMVZONSA-N 338.766 2.512 50 1 EFGF CC1(C)C(=O)C(C#N)=C[C@]2(C)C3=CC(=O)C(C#N)=C[C@]3(C#N)CC[C@@H]12 71316034 UJVXBBZEAMVLPE-YSSFQJQWSA-N 331.375 2.931 50 1 EFGF NC(=O)C[C@H](CC(=O)Oc1ccc([N+](=O)[O-])cc1)c1ccccc1 44201819 BEEWYHROLVPQJL-CYBMUJFWSA-N 328.324 2.550 50 1 EFGF Cc1cccc(C(=O)O)c1NC(=O)CCSSCCN(C)C 618007876 SKFIGFUWDTVCFC-UHFFFAOYSA-N 342.486 2.965 50 1 EFGF O=C1OC(=O)c2cc(-c3nc4cc(C(F)(F)F)cnc4[nH]3)ccc21 586908689 TYPWENTYBCCJEN-UHFFFAOYSA-N 333.225 2.954 50 1 EFGF COC(=O)c1cc2[nH]c(/C=C\CBr)nc2cc1OC 586973657 MOKOCERNFIESND-ARJAWSKDSA-N 325.162 2.766 50 1 EFGF C=C1C[C@](CI)(c2ccc(F)cc2)OC1=O 1911571020 FOZKWAUFYAUUMI-LBPRGKRZSA-N 332.112 2.959 50 1 EFGF CCOC(=O)[C@H](Cl)[C@]1(CC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587416562 BBPGUYJXMRJIQY-XQAQDONZSA-N 338.787 2.762 50 1 EFGF Clc1ccccc1CN(CCBr)CCn1cncn1 95598429 JIVGGNUCFVWWBM-UHFFFAOYSA-N 343.656 2.829 50 1 EFGF COc1cc(OC)c(-c2ccc3c(O)nc(O)nc3n2)cc1CCl 587369116 VPJAGPVQOMEAPL-UHFFFAOYSA-N 347.758 2.859 50 1 EFGF COc1ccccc1C(=O)N(C)CCSSCCN(C)C 618010533 YPQZQTJUZKEHLI-UHFFFAOYSA-N 328.503 2.710 50 1 EFGF O=C1C[C@]2(COC(CCl)=CC2=O)Oc2c1ccc1c2CCCC1 587496453 CZSRICOWLFADEA-GOSISDBHSA-N 332.783 2.991 50 1 EFGF O=C(NO)C1CCC2(CC1)OCC1(OO2)C2CC3CC(C2)CC1C3 473121447 POMPXAFWNWEYED-UHFFFAOYSA-N 337.416 2.552 50 1 EFGF COc1cc(P(=O)(c2ccccc2)c2ccccc2)cc(OC)n1 42888316 YMPKBFIDHXKESC-UHFFFAOYSA-N 339.331 2.738 50 1 EFGF COc1ccc(Cl)cc1C#C/C(C(=O)O)=C(\Br)C=O 587899197 WHMQXTGIOZEOKH-ZHACJKMWSA-N 343.560 2.633 50 1 EFGF O=C(CCCCl)NNc1nncc(-c2ccc(Cl)cc2)n1 1842266 UKINOWWQEQRAEZ-UHFFFAOYSA-N 326.187 2.654 50 1 EFGF O=C(CN1CCc2sccc2C1)N/N=C/c1ccccc1Cl 103239881 GXYQMQFGUGBPHC-GIJQJNRQSA-N 333.844 2.910 50 1 EFGF CC=C1CN2CC[C@@]34C(=C(C=O)[C@H]1C[C@@H]23)Nc1c4ccc(OC)c1O 2356784935 QSEHBGAYFDQAHT-KRYHZZBUSA-N 338.407 2.571 50 1 EFGF C=C1[C@H]2C[C@H](O)[C@H]3[C@]4(C)CCC[C@@](C)(N=C=O)[C@H]4CC[C@]3(C2)[C@@H]1O 103144645 VZWILMSDGUSPQS-ABFWNZAKSA-N 331.456 2.985 50 1 EFGF O=C(O)CCCC(=O)O[C@@]12CCCC[C@H]1[C@@H]1CCCC[C@@]1(O)OO2 169314195 YSTWBFAHJRSZBO-WRFANHODSA-N 342.388 2.512 50 1 EFGF CCOC(=O)c1cc(-c2ccc(OC)cc2)[nH]c1NNC(=O)CC 40893108 HVFLMJYHJHTONN-UHFFFAOYSA-N 331.372 2.720 50 1 EFGF C1CC2(CCC1Cc1nnn[nH]1)OOC1(O2)C2CC3CC(C2)CC1C3 43569570 XZSKHMKBHNGOTK-UHFFFAOYSA-N 346.431 2.760 50 1 EFGF C[C@](O)(CCl)COC1=C[C@@H]2Oc3ccccc3C(=O)[C@H]2C(O)=C1 299806614 DEGDWHGFCLTYIK-ZOBUZTSGSA-N 336.771 2.592 50 1 EFGF NNC(=O)c1ccc2nc([C@H]3SCCc4sccc43)[nH]c2c1 587037782 YECNCPTYVSAGLH-ZDUSSCGKSA-N 330.438 2.607 50 1 EFGF CN(C)C(=O)[C@@H](Cl)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587494789 ACLKKTOPJCBVOA-SJLPKXTDSA-N 335.831 2.985 50 1 EFGF CC1(C)O[C@H]([C@@](C)(O)/C=C/Br)C[C@@H]1Br 14637023 UIVSTSHQZIFSSM-WYOYIEJBSA-N 328.044 2.977 50 1 EFGF CC(C)(C)[Si](C)(C)O[C@@]12C#C/C=C/C#C[C@@H](O)C(=CCC1)C2=O 195326318 NXGUSROHOGYCLG-NHBNWDHASA-N 328.484 2.974 50 1 EFGF CCOC(=O)NNc1[nH]c(-c2ccc(OC)cc2)cc1C(=O)OCC 40404710 QDCITQZIDDABON-UHFFFAOYSA-N 347.371 2.940 50 1 EFGF COc1ccc(/C(O)=C(\C=C(C#N)C#N)[n+]2ccc(OC)cc2)cc1 209109387 ZYDPBLDVQZKBSZ-HNENSFHCSA-O 334.355 2.849 50 1 EFGF COC(=O)c1cc2nc([C@H](Br)C(C)(C)OC)[nH]c2cn1 586971203 OGMYLBUGCZEHDT-JTQLQIEISA-N 342.193 2.606 50 1 EFGF COc1ccc(Cl)cc1C#Cc1cc(C(=O)NN)oc1Cl 587903348 CVXYHZHIOAVZLH-UHFFFAOYSA-N 325.151 2.598 50 1 EFGF [C-]#[N+][C@H]1CN(c2ncnc3[nH]cc(-c4cccc(C#N)c4)c23)CCO1 1772585298 SNLIEAGRZBDURM-OAHLLOKOSA-N 330.351 2.579 50 1 EFGF NNC(=O)c1ccc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c2c1 587108979 FEYUNEIKSYTRMC-UHFFFAOYSA-N 338.264 2.991 50 1 EFGF COc1cc([C@@H]2OC3=C(C(=O)CC(C)(C)C3)C(N)=C2C#N)ccc1O 177348 JGUYJUQKZDIKNM-SFHVURJKSA-N 340.379 2.852 50 1 EFGF CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC 2036016 KLGMSAOQDHLCOS-UHFFFAOYSA-N 329.380 2.632 50 1 EFGF in-man CC1(C)[C@H]2CC=C(/C=N\NC(=O)c3cccc(C(=O)NO)c3)[C@@H]1C2 95809705 NOMNNNXBNZBWGL-HVHPIKSNSA-N 327.384 2.514 50 1 EFGF CN1CCN(c2ccc3nc(/C=C\CBr)[nH]c3c2)CC1 586974218 STQRHXFOSBHRQJ-IHWYPQMZSA-N 335.249 2.723 50 1 EFGF [C-]#[N+][C@@H]1CN(c2ncnc3[nH]cc(-c4cccc(C#N)c4)c23)CCO1 1772585297 SNLIEAGRZBDURM-HNNXBMFYSA-N 330.351 2.579 50 1 EFGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc([N+](=O)[O-])c[nH]1)O2 587371213 DWYFEVWIUNEZQU-OAHLLOKOSA-N 335.747 2.913 50 1 EFGF CC1=C[C@@H]2[C@H](C(C)C)CC[C@@]34CO[C@@]5(OO3)C(=C(C1=O)[C@H](O)[C@@H]5C)[C@H]24 2356416408 SELAHBLHWQPORJ-XFZJWRBKSA-N 346.423 2.548 50 1 EFGF C[C@H](CO)[C@]12CC[C@]3(C)CC[C@@]4(C)C(=O)CC(C=O)=CC[C@@H]4[C@@]31O2 84603994 BEDOXLKSBWDRGE-QQQBWXDASA-N 332.440 2.827 50 1 EFGF CCn1cc(C(=O)N/N=C/c2cccc(C)c2)c(=O)c2ccc(C)nc21 103214048 SBEMTVRWLANCCJ-SRZZPIQSSA-N 348.406 2.797 50 1 EFGF COC(=O)C(=O)[C@H](Cl)[C@]1(C2CC2)c2ccc(C)c3c2C2(CC2)CN31 963728741 ITAWXDUSAMWPDS-LPHOPBHVSA-N 345.826 2.815 50 1 EFGF COc1ccc(C(=O)N/N=C/c2coc3ccc(C)cc3c2=O)cc1 15934267 YQYAUIRYAZODJX-KEBDBYFISA-N 336.347 2.874 50 1 EFGF C[C@H](CO)C1=C2[C@@H]3CC=C(C=O)CC(=O)[C@@]3(C)CC[C@]2(CO)CC1 2356721194 XQEPJFHJUOQRQV-GODCRWGESA-N 332.440 2.588 50 1 EFGF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@]2(CCC[C@H](Br)C2)N1 962922304 PTSNXDWRIAQOGO-XEGUGMAKSA-N 342.208 2.957 50 1 EFGF CC(C)C1=CC(=O)[C@]2(C)CC[C@]3(C)C(=CC=C(C=O)C[C@@H]3O)[C@@]12O 13337435 KGWCGHWCRHXTPS-RNQOJCNYSA-N 330.424 2.505 50 1 EFGF biogenic COC(=O)[C@H](Cl)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541318 AVVITZHFZIIYSU-ZENOOKHLSA-N 348.738 2.503 50 1 EFGF CC(C=C[C@@H]1[C@](C)(O)[C@H](O)[C@H](O)[C@H]2C(C)(C)CCC[C@]21C)=CC=O 2356764015 XWVGZNYHKHGOKZ-VOSWSFSHSA-N 336.472 2.623 50 1 EFGF BrC/C=C/c1nc2ccc(CN3CCOCC3)cc2[nH]1 586974256 UDZMNUOFHHJDIJ-OWOJBTEDSA-N 336.233 2.803 50 1 EFGF CC(C)(C)c1ccc2c(c1)O[C@@H](C(=O)N/N=C/c1ccccn1)CO2 524287 JDJGSIZJBSTISP-LASGFXPTSA-N 339.395 2.669 50 1 EFGF C[C@]12CC[C@@H]3[C@H](CC[C@H]4[C@](O)(C#N)[C@H](O)CC[C@]34C)[C@@H]1CCC(=O)O2 58669393 FTVJLTOZPAYRAH-GTWIQDCOSA-N 347.455 2.550 50 1 EFGF COC(=O)N/N=C/C1=C/C(=N/Nc2ccccc2Cl)C=CC1=O 103756333 FGRAPTAFGJERSF-XURGJTJWSA-N 332.747 2.515 50 3 EFGF NC(=O)N1CCc2sccc2[C@@]12C(C=O)=COc1cc(F)ccc12 962699352 JCLRRGCMCNZUDW-KRWDZBQOSA-N 344.367 2.543 50 1 EFGF CN(C)CCSSCCCNC(=O)Cc1ccc(F)cc1F 618007611 CDMCVVDWMOMMED-UHFFFAOYSA-N 348.484 2.957 50 1 EFGF Cc1c(C(=O)NN=C2CCCCC2)[n+]([O-])cn1Cc1ccccc1 96922804 MJKMNQHRJXGZER-UHFFFAOYSA-N 326.400 2.528 50 1 EFGF O=C(NN/C=C1\C=Nc2ccc(Br)cc21)c1ccccn1 15953185 SQPWGDUQRYMDDS-MDZDMXLPSA-N 343.184 2.836 50 3 EFGF COc1ccc2c(c1)O[C@@H]1C=C(N)C(C#N)=C(N)[C@H]1[C@H]2c1ccccc1 253667246 LTCAAXRZSDYWQZ-HSALFYBXSA-N 345.402 2.797 50 1 EFGF O=C(CCCc1nc(O)c2ccccc2n1)N/N=C/c1ccccc1 299859085 VXEFXHFSBKHMGB-DEDYPNTBSA-N 334.379 2.808 50 1 EFGF CN(C)/C=C(/C#N)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587572134 NZLZFWYXSLEDBJ-VVSAXJSQSA-N 336.347 2.691 50 1 EFGF Cc1nc2[nH]c(C(C)(C)NC(=O)CCl)nc2cc1Br 587007980 KEORHQNZAIMLDQ-UHFFFAOYSA-N 345.628 2.619 50 1 EFGF N[C@H](CC1CCCCC1)[C@H](O)C(=O)NNc1cccc2ccccc12 27989131 GWIZEFHTWKRISS-MJGOQNOKSA-N 341.455 2.942 50 1 EFGF O=c1ccc2c3c(cc[n+]2CCBr)c2ccccc2n13 35878895 YBXFAPJEGMFCBL-UHFFFAOYSA-N 328.189 2.726 50 1 EFGF CCO[C@@H](C)c1nc(C)c(-c2nc3ccc(C(=O)NN)cc3[nH]2)s1 587014217 JBKHXENTAPSGBJ-VIFPVBQESA-N 345.428 2.696 50 1 EFGF CC(C)(Br)[C@@H](Br)CC[C@]1([C@@H]2CO2)CO1 5715132 WCSBTSWCLLSCFB-OYNCUSHFSA-N 328.044 2.871 50 1 EFGF Cc1ccc(/C=C(\C#N)c2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc1 587187900 MRUXUEPUYXCBBD-MDWZMJQESA-N 338.392 2.583 50 1 EFGF O=C1OC(=O)c2cc(-c3nc4c(Br)ccnc4[nH]3)ccc21 586906410 CRBWRBLCQIQVSG-UHFFFAOYSA-N 344.124 2.698 50 1 EFGF Cc1ccc(C(=O)N(NC(=O)c2snnc2C)C(C)(C)C)cc1 103215819 IEUYYOORRUVRCR-UHFFFAOYSA-N 332.429 2.741 50 1 EFGF O=C(CBr)NCCc1nc2cc3ccccc3cc2[nH]1 586970723 FHJAZSTWVMIWMP-UHFFFAOYSA-N 332.201 2.770 50 1 EFGF C/C(=N\NC(=O)CNC(=O)Cc1ccccc1)c1ccc(Cl)cc1 13142241 YSKSFEBGYCZUDM-FYJGNVAPSA-N 343.814 2.539 50 1 EFGF COc1ccc(CCC(=O)NCCSSCCN(C)C)cc1 618010130 PZDAHMODIRYLNV-UHFFFAOYSA-N 342.530 2.687 50 1 EFGF O=C(N/N=C/c1c[nH]c2ccccc12)C(=O)c1c[nH]c2ccccc12 1857744788 ASTBMRVEXKDFGO-LSHDLFTRSA-N 330.347 2.982 50 1 EFGF COc1ccc(Br)c(C(=O)N/N=C\c2ccc(O)cc2)c1 103185123 POFXSFANDNIILB-MFOYZWKCSA-N 349.184 2.927 50 1 EFGF Oc1nc(NCc2ccccc2)c2nc(CBr)nc-2[nH]1 586972005 BVFOOCWJNHOUDA-UHFFFAOYSA-N 334.177 2.517 50 1 EFGF C[C@H](Cl)C(=O)Nc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 587367163 UMUVGDRSPRGGJL-QMMMGPOBSA-N 344.758 2.669 50 1 EFGF [C-]#[N+]C1=C2COCCN2C(C)=C(C#N)[C@H]1c1cc2c(N)nccc2o1 169698733 JOCPRJFVOZKVIF-INIZCTEOSA-N 333.351 2.768 50 1 EFGF COC(C)(C)[C@@H](Br)c1nc2cccc(C(N)=O)c2[nH]1 586971011 KANHWMZUFRXGDH-JTQLQIEISA-N 326.194 2.523 50 1 EFGF COc1ccc(/C=C/C(=O)N/N=C/c2ccccc2O)cc1OC 84727845 PPMURKATKOZVLC-SLUIUKIVSA-N 326.352 2.573 50 1 EFGF NCCSSCCCNC(=O)c1oncc1-c1ccccc1 618007551 FELHECPZBSNBEX-UHFFFAOYSA-N 337.470 2.802 50 1 EFGF NNC(=O)c1ccc2nc(-c3cc(F)cc(Br)c3)[nH]c2c1 587161521 UMGNTRPVUQQHDW-UHFFFAOYSA-N 349.163 2.735 50 1 EFGF N#CC(C#N)=Cc1cc([C@]2(CCl)NCCc3ccc(O)cc32)c[nH]1 963343383 UZDOHLOXPNFQIO-SFHVURJKSA-N 338.798 2.779 50 1 EFGF CO[C@H]1C[C@H]2C(=C[C@@H]1Cl)[C@H]1C[N@@+]2([O-])Cc2cc3c(cc21)OCO3 1857761423 VTOVSZKGCTTWAH-OXMIBSBGSA-N 335.787 2.662 50 1 EFGF O=C(CCCCCCCc1ccccc1)Nc1ccc(B(O)O)cc1 653709133 NPCGDMHWXJMRRT-UHFFFAOYSA-N 339.244 2.888 50 1 EFGF CCc1ccccc1NC(=O)[C@H](Cc1ccco1)NC(=O)CCl 35839899 ZSBZCYCBROUGIC-HNNXBMFYSA-N 334.803 2.747 50 1 EFGF CCCN1[C@H](C)Cc2ccccc2[C@]1(c1ccc(B(O)O)cc1)C1CC1 963244586 WQUDKBJCDLSGCI-OPAMFIHVSA-N 349.283 2.677 50 1 EFGF CC1(C)C[C@H]([C@]23CC[C@](C)(CO)[C@H](O)[C@H]2O3)CC[C@H]1Br 2356791799 IYPOREKUKVJZKD-IZIWBXRVSA-N 347.293 2.867 50 1 EFGF CCCN1CC[C@@]2(OC)OC(N)=C(C#N)[C@@H](c3ccc(C)cc3)[C@@H]2C1 299841329 ZGNVNVJIWGLSFG-NLWGTHIKSA-N 341.455 2.877 50 1 EFGF COC(=O)c1cc2nc([C@@H](Br)C(C)(C)OC)[nH]c2cn1 586971205 OGMYLBUGCZEHDT-SNVBAGLBSA-N 342.193 2.606 50 1 EFGF C#CC=CCCC(=O)C[C@@H]1O[C@H](CC)[C@@H](Br)C[C@H]1O 2356658487 UGJHRFRUTHOGOT-YJNKXOJESA-N 329.234 2.607 50 1 EFGF CCNC(=O)C1=C(C)[C@@H]2CC[C@@H](C)[C@@H]3CC[C@@]4(C)OO[C@@]23[C@H](O1)O4 49784841 BFJYYTZYTGPTGZ-QWEHXZQISA-N 337.416 2.642 50 1 EFGF CN(C)c1cc[n+](/C(C=C(C#N)C#N)=C(/O)c2ccc(C#N)cc2)cc1 96933736 VWODMHHUZMXACY-FMQUCBEESA-O 342.382 2.769 50 1 EFGF CN(C)CCSSCCCNC(=O)c1noc2c1CCCC2 618017557 RZCIODXSNGCSFW-UHFFFAOYSA-N 343.518 2.616 50 1 EFGF O=C(N/N=C/c1c(Cl)c2ccccc2oc1=O)c1ccncc1 1772585004 OHTUAPSNQHIVJF-DJKKODMXSA-N 327.727 2.605 50 1 EFGF C=C1C(=O)O[C@@H]2C=C(C)CC=CC(C=O)=C[C@@H](OC(=O)C(C)C)[C@H]12 2356709972 DOLGCPLAINMHSM-BRWVUGGUSA-N 330.380 2.684 50 1 EFGF C#CC=CC[C@H](Cl)[C@@H]1C[C@H](O)[C@H](OC(C)=O)C=C[C@H](CC)O1 2356793300 HDYZHQCPGQNLNH-VIQHNZTISA-N 326.820 2.590 50 1 EFGF CCOc1cccc(C(=O)NCCSSCCN(C)C)c1 618007931 NODRFXOJVHAXQY-UHFFFAOYSA-N 328.503 2.758 50 1 EFGF C=C(C=O)[C@@H]1CC[C@@H]2[C@H](C1)C(=O)[C@H](O)[C@@H]1C(C)(C)[C@H](O)CC[C@]12C 2356528098 PYTXCJKULGAJQT-JAPSMCJHSA-N 334.456 2.521 50 1 EFGF COc1ccc(Cl)cc1C#Cc1ccc(O[C@H](C)C(=O)NN)cc1 587907569 NWDLTSFLXAWSAI-GFCCVEGCSA-N 344.798 2.506 50 1 EFGF Oc1nc(O)c2ccc(-c3ccc(CBr)cc3)nc2n1 587366312 MUDHPMUHUPEXDR-UHFFFAOYSA-N 332.157 2.998 50 1 EFGF C=C(C=O)[C@@H]1CCC2=C(C1)C(=O)[C@H](O)[C@H]1C(C)(C)[C@H](O)CC[C@]21C 2356647989 KHXPUTCGVCTBNK-RRCVHZOHSA-N 332.440 2.585 50 1 EFGF CCCn1nc(-c2cn(CCC)c3ccccc23)cc1C(=O)NN 73164760 YHIHIFPUBPGIGM-UHFFFAOYSA-N 325.416 2.928 50 1 EFGF CC(=O)Nc1ccc(C)cc1C(F)(F)C(=O)NNc1ccccn1 1857758969 IVTHQJHNJYIVJL-UHFFFAOYSA-N 334.326 2.584 50 1 EFGF O=C(CCl)N[C@H](Cc1ccco1)C(=O)Nc1ccc(Cl)cc1 38266843 KCCDUGWPRVOETC-CYBMUJFWSA-N 341.194 2.838 50 1 EFGF Cc1ccc(S(=O)(=O)/N=C(/C[C@@H](C)Br)N(C)C)cc1 103184876 OQTKWIZZCBDOCC-XGOYLDHDSA-N 347.278 2.817 50 1 EFGF C[C@@H](N)[C@@H]1CC[C@@H](C)C2(C1)OOC1(C[C@H]([C@@H](C)N)CC[C@H]1C)OO2 64527322 BUROIDFHGMDKOU-XERGLQPBSA-N 342.480 2.856 50 1 EFGF Cc1ccc(CSCCc2nc3ccc(C(=O)NN)cc3[nH]2)cc1 586971819 YEZHAMOSUJSDPH-UHFFFAOYSA-N 340.452 2.951 50 1 EFGF O=C(Nc1ccc(F)cc1)c1ccc(SCCCCB(O)O)nc1 198305895 QMQGUUOGRMUXFL-UHFFFAOYSA-N 348.208 2.818 50 1 EFGF O=C(NN1C(=O)[C@H](Cl)[C@@H]1c1ccccc1Cl)c1ccncc1 103293938 HUIRTELBZXYOEO-OLZOCXBDSA-N 336.178 2.571 50 1 EFGF Cc1ccc(NC(=O)NCCSSCCN(C)C)cc1C#N 618007552 FLYDQHDXCLVMFZ-UHFFFAOYSA-N 338.502 2.931 50 1 EFGF NNC(=O)c1ccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2c1 587951476 WCQJRVATTFBTCQ-UHFFFAOYSA-N 340.427 2.652 50 1 EFGF CN(C)CCSSCCC(=O)Nc1ccc(F)c(C#N)c1 618007768 PAQOVHZRUIUPMN-UHFFFAOYSA-N 327.450 2.969 50 1 EFGF CCCc1c(O)ccc2c1O[C@](C)([C@H](Cl)C(=O)N(C)C)CC2=O 587459263 NPQAZTSWMGAMQJ-WBVHZDCISA-N 339.819 2.764 50 1 EFGF Cc1cc(Cl)cc2nc(CCNC(=O)CBr)[nH]c12 586970751 FUDCGZFSRCRDSX-UHFFFAOYSA-N 330.613 2.578 50 1 EFGF O=C1C[C@@]2(C=C(CCl)OCC2=O)Oc2c1ccc1c2CCCC1 587497698 KPJYFLRNXQCWLM-GOSISDBHSA-N 332.783 2.991 50 1 EFGF CC(C)[C@H](Br)[C@@H]1N[C@H](C(=O)O)Cc2cccc(F)c21 962915307 VDXTXRPNGVZLHB-WCFLWFBJSA-N 330.197 2.885 50 1 EFGF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C=O)C[C@H](OC(=O)C(C)C)[C@H]12 2356780543 YWCXXASGSVDIPE-IXDOHACOSA-N 332.396 2.908 50 1 EFGF COc1cc(C(=O)N(C)/N=C/c2ccccc2)cc(OC)c1OC 1857768687 JUXXXSYGRFJXEU-XDHOZWIPSA-N 328.368 2.819 50 1 EFGF O=C(NO)c1ccc(C(=O)N/N=C/c2cccc3ccccc23)cc1 95808970 LXOZXAKCSFTYRD-UDWIEESQSA-N 333.347 2.723 50 1 EFGF COc1cccc2cc(C(=O)NCCSSCCN)oc12 618007951 UZDBASNHLMYMHT-UHFFFAOYSA-N 326.443 2.511 50 1 EFGF COC(=O)[C@H](Cl)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541317 AVVITZHFZIIYSU-XJKCOSOUSA-N 348.738 2.503 50 1 EFGF O=C(CCCl)Nc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 587369098 URPXEOTTWMCOLR-UHFFFAOYSA-N 344.758 2.670 50 1 EFGF O=C(CCc1cccc(O)c1)N[C@@H](Cc1ccccc1)C(=O)CCl 26155863 QHVYHCDWMCLHQB-KRWDZBQOSA-N 345.826 2.860 50 1 EFGF COc1cc([C@@H]2Oc3ccc(C=CC=O)cc3[C@H]2CO)ccc1O 2356595973 ZEIRMWGDKRFTOI-BEFAXECRSA-N 326.348 2.823 50 1 EFGF Cc1c(Br)cnc2[nH]c(C(C)(C)NC(=O)CCl)nc12 587009233 YLCJTXQCIXLIMF-UHFFFAOYSA-N 345.628 2.619 50 1 EFGF COc1c([N+](=O)[O-])[c-](/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1=O 169691541 ITMZCAPHZYKOAE-DHZHZOJOSA-N 335.299 2.623 50 1 EFGF CC(=O)OCC(=CC=O)[C@H](CC=C(C)C#CC=C(C)C)OC(C)=O 2356675538 ZNJRJRLDPRAASN-IBGZPJMESA-N 332.396 2.913 50 1 EFGF CCOC(=O)c1[nH]c2ccccc2c1/C=N\NC(=O)c1ccncc1 653708693 SKYXRESKUNYTDT-JAIQZWGSSA-N 336.351 2.504 50 1 EFGF CC(=O)c1c(C)[nH]c(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c1C 72176411 PETOZKLDBVHQNG-CAOOACKPSA-N 328.328 2.506 50 1 EFGF COC[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587542119 FRINPSQFJAKRKP-YOEHRIQHSA-N 334.755 2.978 50 1 EFGF C=C(C)[C@H](O)CC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H](O)CC=C(C=O)[C@]12C=O 2356635637 FGQBUPFFWVREBP-DDKAMPBXSA-N 334.456 2.831 50 1 EFGF COC(=O)c1cc2nc([C@@H](Br)C(C)(C)F)[nH]c2cn1 587086900 IJFOKINIKOOZEI-SECBINFHSA-N 330.157 2.929 50 1 EFGF CC1=C[C@H]2[C@H](C(C)C)CC[C@]34CO[C@]5(OO3)C(=C(C1=O)[C@H](O)[C@H]5C)[C@H]24 238741717 SELAHBLHWQPORJ-ZNBIGWPYSA-N 346.423 2.548 50 1 EFGF CCOC(=O)/C(C#N)=C/[C@@H](C(=O)c1ccccc1)[n+]1ccc(C)cc1 103101891 JNQJHJLEMVQKAG-KJCUYJGMSA-N 335.383 2.720 50 1 EFGF O=C1OC(=O)c2cc(-c3nc4cncc(Br)c4[nH]3)ccc21 586909112 VNIXWHOZUWXBRC-UHFFFAOYSA-N 344.124 2.698 50 1 EFGF Oc1nc(O)c2cc(CCCl)c(-c3cc(F)ccc3O)nc2n1 587368366 OKDRRYPIOMNYII-UHFFFAOYSA-N 335.722 2.729 50 1 EFGF Cc1cc(C(=O)N/N=C\C=C\c2ccc(Br)cc2)[nH]n1 15837367 CDFCCAVEZHDEEW-NEHMGSDXSA-N 333.189 2.910 50 1 EFGF Cc1ccccc1C(=O)NN(C(=O)c1snnc1C)C(C)(C)C 103214590 IEPSOOCRFMRMQB-UHFFFAOYSA-N 332.429 2.741 50 1 EFGF CC12OOC(C)(OO1)C2C[C@H](Br)CBr 95554230 SHLJAGBXOGCUNM-MBNAKOSBSA-N 331.988 2.507 50 1 EFGF COC(=O)/C(C#N)=C1\SCC(=O)N1c1ccc(C(F)(F)F)cc1 1857765554 HRESUJLABXUVMB-BENRWUELSA-N 342.298 2.693 50 1 EFGF O=C(N/N=C/c1ccccc1O)c1c[nH]c2ccc(Cl)cc2c1=O 1911573876 FAGZZONZLKOAPK-DNTJNYDQSA-N 341.754 2.651 50 1 EFGF CCOC(=O)CC[C@]12CC[C@H]3[C@H](C)CC[C@@H]4CCO[C@@H](O1)[C@]34OO2 195235869 MPXASXHUBOKDCE-JVRMKCPYSA-N 340.416 2.946 50 1 EFGF O=C(OCCCl)N1N=C(c2ccccc2)NN=C1c1ccccc1 71257160 WVUKHVZPNYOQSE-UHFFFAOYSA-N 342.786 2.991 50 1 EFGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)CCC[C@@H]1Br 587371949 IMAYWQFMNCRIOG-SWLSCSKDSA-N 338.201 2.798 50 1 EFGF N#C/C(C(=O)Nc1ccc(C(F)(F)F)cc1)=C(/O)[C@H]1CCCN1 100784879 JWCPFPIYSYZOIJ-NPRUJURCSA-N 325.290 2.732 50 1 EFGF COc1cccc(/C=C(/C#N)C(=O)NC[C@](C)(O)c2ccsc2)c1 75093435 HAFFQKBTZQIXNP-PIJNTSGSSA-N 342.420 2.688 50 1 EFGF CCOC(=O)CC[C@@]12CC[C@H]3[C@H](C)CC[C@@H]4CCO[C@@H](O1)[C@]34OO2 195235854 MPXASXHUBOKDCE-NYSIAZPLSA-N 340.416 2.946 50 1 EFGF CCN(CC)Cc1cccc(/C(C)=N\NC(=O)c2ccncc2)c1O 28528017 HAJACCHAKAUFJM-STZFKDTASA-N 340.427 2.783 50 1 EFGF CC(=O)O[C@]12C(=O)OC(=O)[C@]3(C)CCC[C@@](C)(c4ccccc41)[C@@H]23 2356685998 NYUIETATSKBTCZ-ZWQIFLOQSA-N 328.364 2.606 50 1 EFGF COc1ccc(/C=N/N(C)C(=O)c2ccc3c(c2)OCO3)cc1OC 95556144 AXVXAWMMPDOGNQ-VXLYETTFSA-N 342.351 2.539 50 1 EFGF N#C/C(=C\c1ccc(O)c(O)c1)c1c(C#N)c(N)nn1-c1ccccc1 17219809 BAEMHYCNOSHCIL-MDWZMJQESA-N 343.346 2.802 50 1 EFGF CC1=C[C@H](O)CC(C=O)=CC[C@H]2CCC3=C(C(=O)[C@H]1[C@H]3O)C2(C)C 2356607127 AXUHRYNGIPZCMR-KMCQBPLKSA-N 330.424 2.505 50 1 EFGF COc1cc2c3c(c1)O[C@@H](c1cnn(CCCl)c1C)[C@@H](C2)C3=O 587419543 DUYGDPFKLQBKGZ-YVEFUNNKSA-N 332.787 2.928 50 1 EFGF c1ccc(COC[C@@H]2OO[C@H](COCc3ccccc3)[C@@H]3O[C@H]23)cc1 43552991 QLSKCMMUNUTSHA-JVSBHGNQSA-N 342.391 2.886 50 1 EFGF CC1=C(C=O)[C@@H]2[C@H](C1)C(=O)C(CO)=CC[C@@]2(C)CC=CC(C)(C)O 2356754098 GCEMWHSWGVIYRO-RIFZZMRRSA-N 332.440 2.753 50 1 EFGF COC(C)(C)[C@H](Br)c1nc2ccc(C(N)=O)cc2[nH]1 586970783 GQYDURHITWZKLJ-SNVBAGLBSA-N 326.194 2.523 50 1 EFGF CC(C)C(=O)CC[C@@H]1C(C=O)=C[C@H](O)[C@@H]2C(C)(C)[C@H](O)CC[C@@]12C 2356450057 GZAWIMMRLPNFME-SNOHLBKASA-N 336.472 2.911 50 1 EFGF O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(F)cc1O 653823314 YNNVZFIJUIQDSG-QGMBQPNBSA-N 345.355 2.915 50 1 EFGF CC1(C)CCC(C)(C)c2cc([Si](O)(O)c3ccccc3)ccc21 207179403 ZGPSEBUDOKPMEH-UHFFFAOYSA-N 326.512 2.577 50 1 EFGF CCCc1c(O)ccc2c1O[C@](CBr)(C(=O)O)CC2=O 587456575 RJORJEXZDBDRIN-CQSZACIVSA-N 343.173 2.528 50 1 EFGF Cc1ccc(NNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 27216812 LTDRHMKVQQJCAJ-UHFFFAOYSA-N 338.323 2.711 50 1 EFGF COC[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587542107 FRINPSQFJAKRKP-PBHICJAKSA-N 334.755 2.978 50 1 EFGF C[C@@H](c1ccc(CBr)cc1)c1nc2c(O)nc(=N)[nH]c2[nH]1 586973728 NGQGAVASMXICLC-ZETCQYMHSA-N 348.204 2.518 50 1 EFGF O=C(CNc1ccc2ccccc2c1)N/N=C\c1ccc([N+](=O)[O-])o1 13112137 CBXUTJMCUCDJGD-GRSHGNNSSA-N 338.323 2.903 50 1 EFGF CC(=O)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 96907592 WNQITGRHOWFLEA-ROLURPKASA-N 326.389 2.758 50 1 EFGF C=C1CC[C@@H]2O[C@@]2(C)[C@H](O)C[C@@H]2C(C=O)=C[C@@H](C=C(C)C)[C@H](O)[C@@H]12 144718595 KUFLXPAGKWSOFL-KVAAXBNISA-N 332.440 2.560 50 1 EFGF CCN1N=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H](Cl)C1=O 587503172 XHDUKXNKBIOZQW-WMZOPIPTSA-N 346.814 2.725 50 1 EFGF C=C(C)[C@@H]1CC=C(/C=N/NC(=O)c2ccc(C(=O)NO)cc2)CC1 95809692 QDSQKUBVRMSGIR-HIPSJFSSSA-N 327.384 2.824 50 1 EFGF CCCc1c(O)ccc2c1O[C@@](C)([C@@H](Cl)C(=O)N(C)C)CC2=O 587459257 NPQAZTSWMGAMQJ-DOTOQJQBSA-N 339.819 2.764 50 1 EFGF CCOC(=O)CC[C@]1(CCl)CC(=O)c2cc(C)cc(N)c2O1 587370775 BRCOMYYEUFAROD-MRXNPFEDSA-N 325.792 2.863 50 1 EFGF CO[P@@](=O)(c1ccccc1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12 59425472 NBMJEMWDMSGPCM-QHCPKHFHSA-N 348.726 2.796 50 1 EFGF O=C(N/N=C\c1cccc(OC2CSC2)c1)c1ccccc1O 33295758 OXPAKBWBDCQFBK-NVMNQCDNSA-N 328.393 2.650 50 1 EFGF O=C(O)[C@@H](O)[C@H](O)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586886673 GLYUBQKHKCMMCR-YUMQZZPRSA-N 348.249 2.699 50 1 EFGF CC12OOC(C)(OO1)C2C[C@@H](Br)CBr 95554229 SHLJAGBXOGCUNM-NIYQRSRNSA-N 331.988 2.507 50 1 EFGF Cc1cccc(C(=O)N(NC(=O)c2snnc2C)C(C)(C)C)c1 103206573 HOKWYCIKOALVMC-UHFFFAOYSA-N 332.429 2.741 50 1 EFGF OC[C@H](O)[C@H](O)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586886867 CGQOFYSMXJJKSB-IUCAKERBSA-N 334.266 2.607 50 1 EFGF Cc1ccc(/C=N/NC(=O)c2ccc(OCCN(C)C)cc2)cc1 1772586780 COFXNXBRXDVQKL-XSFVSMFZSA-N 325.412 2.699 50 1 EFGF CCC(=O)N[C@H](c1ccco1)[C@H]1C[C@@H](Cl)[C@@H]2CCCN=C2C1=O 169725008 KOWRUFLNZMXZHN-YFCNSXCBSA-N 336.819 2.894 50 1 EFGF C=CC(=O)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 71335258 CFQDNTLGOVXGTA-LQZBUGDKSA-N 338.400 2.924 50 1 EFGF CC1(C)O[C@H]([C@@](C)(O)C=CBr)C[C@H]1Br 2356505915 UIVSTSHQZIFSSM-WEDXCCLWSA-N 328.044 2.977 50 1 EFGF CC(C)C(=O)CC[C@@H]1C(C=O)=C[C@@H](O)[C@@H]2C(C)(C)[C@H](O)CC[C@@]12C 473087976 GZAWIMMRLPNFME-SVEODPQUSA-N 336.472 2.911 50 1 EFGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cnccn1)O2 587372440 ISNLKHWCZJMGBO-HNNXBMFYSA-N 348.200 2.623 50 1 EFGF CN1CCC[C@@H](OC(=O)c2cc3cc(CCl)ccc3oc2=O)C1 6040876 IEBIFFJTOVLWNM-CYBMUJFWSA-N 335.787 2.783 50 1 EFGF Cc1cc(=O)oc2c3c(ccc12)C(=O)/C(=C/NCCCl)C=C3C=O 102907063 MRAAYMIBSSTZFX-DHZHZOJOSA-N 343.766 2.592 50 1 EFGF CC1=C[C@@H](O)CC(C=O)=CC[C@H]2CCC3=C(C(=O)[C@H]1[C@H]3O)C2(C)C 2356607128 AXUHRYNGIPZCMR-MMNPAVHPSA-N 330.424 2.505 50 1 EFGF C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(\C=O)C[C@@H](OC(=O)C(C)C)[C@@H]12 33831431 YWCXXASGSVDIPE-SYNSJHCWSA-N 332.396 2.908 50 1 EFGF biogenic,in-vitro C=C1C[C@@](CI)(c2ccc(F)cc2)OC1=O 1911571019 FOZKWAUFYAUUMI-GFCCVEGCSA-N 332.112 2.959 50 1 EFGF CCn1cc(C(=O)N/N=C/c2ccc(C)cc2)c(=O)c2ccc(C)nc21 103214051 GMQJWFFWISGFSQ-SRZZPIQSSA-N 348.406 2.797 50 1 EFGF O=[N+]([O-])c1ccc(-c2cc(O)n(-c3ccnc(CCl)n3)c2O)cc1 587940879 QDMKBYVNKPQBHE-UHFFFAOYSA-N 346.730 2.993 50 1 EFGF CC(C)C1=CC(=O)[C@]2(C)CC[C@]3(C)C(=O)CC(C=O)=CC[C@H]3[C@@]12O 15108071 GQLHFHBRWGRYNE-TTYHFUOFSA-N 330.424 2.793 50 1 EFGF biogenic O=C(O)[C@@H](O)[C@@H](O)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586886670 GLYUBQKHKCMMCR-SFYZADRCSA-N 348.249 2.699 50 1 EFGF O=C(CBr)c1c(CO)oc2cc(Br)cnc12 587274634 XEVRTNWFNUWYPY-UHFFFAOYSA-N 348.978 2.660 50 1 EFGF CN(C)CCNc1nccc(/C(C#N)=C2\Nc3ccccc3S2)n1 13647705 GFYJOQUYONEFNU-FOWTUZBSSA-N 338.440 2.860 50 1 EFGF O=C1c2cccc(O)c2C(=O)c2c(O)cc(CBr)cc21 6093795 HZLDTTNIJNQGEP-UHFFFAOYSA-N 333.137 2.768 50 1 EFGF COc1ccc(N2C(=O)/C(=N/c3ccccc3O)[C@@H](Cl)C2=O)cc1 169688835 DJTIPIBLVVKSPG-CVALACBASA-N 344.754 2.654 50 1 EFGF CC(C=O)=CCC[C@@](C)(O)[C@@H](O)C=CC(C)=CC(=O)c1ccc[nH]1 2356475255 UUEGKBXDGVAPLG-RBUKOAKNSA-N 331.412 2.737 50 1 EFGF CC1(C)C(Br)=C(CSS(C)(=O)=O)C(C)(C)N1[O] 103555049 SULCWUZWSMVCSI-UHFFFAOYSA-N 343.288 2.547 50 1 EFGF in-vitro O=C(CCl)Nc1ccc(SCC(=O)Nc2ccccn2)cc1 96908525 OJDPPFDXWMAQQN-UHFFFAOYSA-N 335.816 2.990 50 1 EFGF O=C(NN1C(=O)[C@@H](Cl)[C@@H]1c1ccc(Cl)cc1)c1ccncc1 103297002 GLUMHYBIXUSZOS-STQMWFEESA-N 336.178 2.571 50 1 EFGF CC(C)(C)c1cccc2nc(CCNC(=O)CBr)[nH]c12 586971751 YDNXPAQOKQPDBX-UHFFFAOYSA-N 338.249 2.914 50 1 EFGF O=C(N/N=C/c1cccc(Cl)c1)c1ccc(Cn2cccn2)o1 355527 PDFMWEPABOYSOO-VCHYOVAHSA-N 328.759 2.942 50 1 EFGF CN1C(=O)C[C@@H]2CN[C@@]3(C=C[C@@H](Br)C3)c3cccc1c32 963033160 PZKVJDHLGFCAGX-GLKRBJQHSA-N 333.229 2.659 50 1 EFGF CC1(C)C[C@@H](CC(=O)NNc2nc(-c3ccccc3)cs2)C(=O)O1 376784 UNQBWQZEXOUAQX-GFCCVEGCSA-N 345.424 2.985 50 3 EFGF C=C(C=O)[C@@H]1CCC2=C(C1)C(=O)[C@H](O)[C@H]1C(C)(C)[C@H](O)CC[C@@]21C 2356647987 KHXPUTCGVCTBNK-BRHWJWFTSA-N 332.440 2.585 50 1 EFGF COc1ccccc1C(=O)NCCCSSCCN(C)C 618012492 JJHQUTDBPUVUGC-UHFFFAOYSA-N 328.503 2.758 50 1 EFGF CN(C)c1ccc(/C=N/NC(=O)c2ccc3c(c2)OCCCO3)cc1 1772587914 CUJPBDFKHKONSK-DEDYPNTBSA-N 339.395 2.678 50 1 EFGF N#C/C(=C(/O)CN1CCOCC1)c1nc(-c2ccccc2)cs1 101507571 OQHZMHAORDPZLL-PEZBUJJGSA-N 327.409 2.935 50 1 EFGF O=Cc1ccc(OP(=O)(NCCCl)NCCCl)cc1 49780853 MSIYUIFELIOKRO-UHFFFAOYSA-N 325.132 2.643 50 1 EFGF C#CC=CCCC(=O)C[C@@H]1O[C@H](CC)[C@H](Br)C[C@@H]1O 2356658484 UGJHRFRUTHOGOT-BARDWOONSA-N 329.234 2.607 50 1 EFGF CCOc1cc(/C=N\NC(N)=O)cc(Br)c1OC(C)C 33309637 JTIZJOHNBCLMBZ-APSNUPSMSA-N 344.209 2.637 50 3 EFGF C[C@]1(c2c[nH]c(C(=O)NN)c2)NCCc2cccc(-c3ccccc3)c21 962661786 KMZNVWINMTXDOP-OAQYLSRUSA-N 346.434 2.694 50 1 EFGF CCCNC(=O)/C(C#N)=C/c1c(C)n(CCN(C)C)c2ccccc12 40430846 DEVFURBEGSFYQR-DTQAZKPQSA-N 338.455 2.945 50 1 EFGF COc1ccc(Cl)cc1C#Cc1c(C(=O)NN)[nH]c2ccccc12 587911487 UGJWCBIYHYWQAN-UHFFFAOYSA-N 339.782 2.833 50 1 EFGF Cc1[nH]c(C(=O)[C@@H](C)Cl)c(C)c1-c1ccc2c(O)nc(O)nc2n1 587365047 ABPBLIFLDSJBSX-SSDOTTSWSA-N 346.774 2.858 50 1 EFGF CN(/N=C/c1cccc(C(=O)O)c1)C(=O)c1ccc(N(C)C)cc1 653782526 VIYRPYAEJZWNNL-XDHOZWIPSA-N 325.368 2.557 50 1 EFGF COc1ccc(Cl)cc1C#Cc1cccc(O[C@H](C)C(=O)NN)c1 587905184 OIVJGMOZDNOPDV-GFCCVEGCSA-N 344.798 2.506 50 1 EFGF CN(C)CCSSCCNC(=O)c1cn(C)c2ccccc12 618008158 BCNIQKFCHCJUSG-UHFFFAOYSA-N 337.514 2.851 50 1 EFGF N#Cc1cc(C(=O)N/N=C/c2ccc(CO)c3ccccc23)ccc1O 13492688 BUYVLDHDDYAAED-SSDVNMTOSA-N 345.358 2.673 50 1 EFGF Cc1c(O)c(O)c2c3c(c(O)c4c(c13)O[C@@H](C)C4(C)C)C(=O)OC2=O 85593831 DGBYKYJXSKRQNW-LURJTMIESA-N 344.319 2.634 50 1 EFGF CN(C)CCSSCCNC(=O)Cc1c[nH]c2ccccc12 618007938 NWJQSTOUMFYZTH-UHFFFAOYSA-N 337.514 2.770 50 1 EFGF COc1cc(C2(c3nc4ccc(C(=O)NN)cc4[nH]3)CC2)ccc1C 587925971 GFBGORBRWLYWAW-UHFFFAOYSA-N 336.395 2.563 50 1 EFGF N#C/C(=C\c1ccccc1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587188475 RLVLONVYTCPSIV-XYOKQWHBSA-N 325.349 2.874 50 1 EFGF CC(C)(F)[C@H](Br)c1nc2ccc(-n3cnnn3)cc2[nH]1 587087494 QYVCGZWZZSRJNY-SNVBAGLBSA-N 339.172 2.723 50 1 EFGF C/C(=N\NC(=O)c1ccc(C)cc1)c1c(C)[nH]n(-c2ccccc2)c1=O 169689054 KEZLIZNJVPFISN-KGENOOAVSA-N 348.406 2.936 50 1 EFGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C(=O)O)co1)O2 587370765 BOHNLNCMKSDLHX-MRXNPFEDSA-N 335.743 2.968 50 1 EFGF O=C(O)CCCCCC(=O)N/N=C/c1ccc(Br)o1 95808467 SAJXUNQBRPIJOA-RIYZIHGNSA-N 331.166 2.527 50 1 EFGF CCOC(=O)CC[C@]12CC[C@H]3[C@H](C)CC[C@@H]4CCO[C@H](O1)[C@@]34OO2 169339384 MPXASXHUBOKDCE-AFPOTTDUSA-N 340.416 2.946 50 1 EFGF N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(C#N)cc1 473154370 GQYBICIASJIMQL-MRXNPFEDSA-N 341.326 2.883 50 1 EFGF CC(C=O)=C1C(=O)C[C@@H]2[C@]1(C)CC[C@H]1[C@](C)(C(=O)O)[C@@H](O)CC[C@]21C 2356383515 PDWLHNPWJPOTFR-LUCRAQOWSA-N 348.439 2.759 50 1 EFGF CN(C)CCSSCCNC(=O)c1nccc2ccccc12 618008252 DCXYMFVARPKLKZ-UHFFFAOYSA-N 335.498 2.908 50 1 EFGF CN(C)/C=C(\C#N)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587572131 NZLZFWYXSLEDBJ-RCDKPBPISA-N 336.347 2.691 50 1 EFGF COc1cc([C@H]2OC3=C(C(=O)CC(C)(C)C3)C(N)=C2C#N)ccc1O 4094576 JGUYJUQKZDIKNM-GOSISDBHSA-N 340.379 2.852 50 1 EFGF CCOC(=O)[C@@H](Cl)[C@]1(CC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587416560 BBPGUYJXMRJIQY-RGYTYGDFSA-N 338.787 2.762 50 1 EFGF CC=C1CN2CC[C@]34C(=C(C=O)[C@H]1C[C@@H]23)Nc1c4ccc(OC)c1O 2356784934 QSEHBGAYFDQAHT-BXJCWQANSA-N 338.407 2.571 50 1 EFGF O=C1OC(=O)c2cc(-c3nc4cc5c(cc4[nH]3)OCCCO5)ccc21 586907746 WJNANTIONBKCHB-UHFFFAOYSA-N 336.303 2.702 50 1 EFGF CCn1cc(C(=O)NN=C2CCCCC2)c(=O)c2ccc(C)nc21 103220894 CEVRTMILDOUYKD-UHFFFAOYSA-N 326.400 2.775 50 1 EFGF O=C(O)CCCNC(=O)NN=C(c1ccccc1)c1ccccc1 28643192 KXMKNLPTGXQLBL-UHFFFAOYSA-N 325.368 2.603 50 1 EFGF COc1ccc(C(=O)N/N=C(\Cc2ncc[nH]2)c2ccccc2)cc1 5902276 HGRLOELHPCRQNR-OQKWZONESA-N 334.379 2.795 50 3 EFGF C/C(=N\NC(=O)CN[C@@H]1C[C@H]1c1ccc(F)c(F)c1)c1ccccc1 1857763428 FWFPDNKRBINDKJ-JUBOHLDFSA-N 343.377 2.951 50 1 EFGF COc1cccc(C(=O)N/N=C\c2ccc(OC3CSC3)cc2)c1 33312325 CFFWGZGPXQFWCK-GRSHGNNSSA-N 342.420 2.953 50 1 EFGF O=C(NNc1ncnc2sc3c(c12)CCCC3)c1cccnc1 1772589814 AUVRHRRUSJERMJ-UHFFFAOYSA-N 325.397 2.722 50 1 EFGF CC1=C(c2ccc3nc([C@@H](Cl)CCl)[nH]c3c2)NNC(=O)C1 587008469 OZKCBOLSRFTDJO-VIFPVBQESA-N 325.199 2.837 50 1 EFGF COc1cc(OC)c2c(=O)oc([C@H](Cl)[C@H](O)CCl)cc2c1 2356334933 PXZNVKGVHPZSHR-NOZJJQNGSA-N 333.167 2.690 50 1 EFGF COc1cc(OC)c2c(=O)oc([C@@H](Cl)[C@H](O)CCl)cc2c1 2356334934 PXZNVKGVHPZSHR-RNCFNFMXSA-N 333.167 2.690 50 1 EFGF CN(C)C(=O)/C(C#N)=C/c1cccc(Nc2cnc3[nH]ccc3n2)c1 148931101 DVSMXMRUODKMKP-MDWZMJQESA-N 332.367 2.697 50 1 EFGF COC(=O)C(=O)[C@H](Cl)[C@@]1(C2CC2)c2ccc(C)c3c2C2(CC2)CN31 963728742 ITAWXDUSAMWPDS-QFBILLFUSA-N 345.826 2.815 50 1 EFGF CCC(=O)N[C@@H](c1ccco1)[C@@H]1C[C@@H](Cl)[C@@H]2CCCN=C2C1=O 169725005 KOWRUFLNZMXZHN-UUIJZJDISA-N 336.819 2.894 50 1 EFGF C#CC=CC[C@H](Cl)[C@@H]1C[C@H](OC(C)=O)[C@H](O)C=C[C@H](CC)O1 2356801767 QUFYLYOBGYXOHP-KSWRQPAISA-N 326.820 2.590 50 1 EFGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCCO)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 84757222 LRFWDUDDKZOVSW-QOBNMGNYSA-N 342.432 2.593 50 1 EFGF Cn1cc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)c(C(=O)Cl)n1 587280533 ZAQLLPLNRQWVQK-UHFFFAOYSA-N 333.687 2.685 50 1 EFGF Cc1ccc(/C=C(\C#N)c2nc3ccc(-n4cnnn4)cc3[nH]2)cc1 587187825 LJFARLAOXRWYMC-RIYZIHGNSA-N 327.351 2.911 50 1 EFGF N[P@](=O)(Oc1ccc([N+](=O)[O-])cc1)N(CCCl)CCCl 2028770 RNYWBVCOEMSHJP-FQEVSTJZSA-N 342.119 2.820 50 1 EFGF C[C@]12CC[C@@H]3[C@H](CC[C@H]4[C@](O)(C#N)[C@H](O)CC[C@]34C)[C@H]1CCC(=O)O2 299807168 FTVJLTOZPAYRAH-ZCPWXEBISA-N 347.455 2.550 50 1 EFGF O=C(N/N=C/c1c[nH]nc1-c1cccc(Cl)c1)c1ccncc1 653778091 WANIYYMQTJKBOS-KEBDBYFISA-N 325.759 2.889 50 1 EFGF O=C1C[C@@]2(COC(CCl)=CC2=O)Oc2c1ccc1c2CCCC1 587496458 CZSRICOWLFADEA-SFHVURJKSA-N 332.783 2.991 50 1 EFGF C/C(Cc1ccccc1)=N/NC(=O)CNC(=O)c1ccccc1Cl 13142326 MHVGFYYFTSHYLQ-BKUYFWCQSA-N 343.814 2.805 50 1 EFGF C[C@H](C(=O)O)C1=C2[C@@H]3C[C@H]4O[C@@](O)(C=C4C=O)[C@@]3(C)CC[C@]2(C)CC1 2356571224 LRIPDOQBOGYERA-KVQKABMVSA-N 346.423 2.837 50 1 EFGF CCOC(=O)[C@@]1(C)O[C@@H]2O[C@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 103194227 CYGYXHXABMAWOV-OXGPLWSSSA-N 326.389 2.554 50 1 EFGF CC(C)(O)C=CC=C(C=O)[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]2(CO3)[C@H]1C=O 2356476740 OXQMSDALZIMENC-OCBLOMHFSA-N 332.440 2.849 50 1 EFGF COc1cc(/C=N\NC(=O)c2ccccc2-n2cccc2)ccc1O 73113979 GJNCNWHEIDOXRQ-MOSHPQCFSA-N 335.363 2.955 50 1 EFGF CCc1ccc(NC(=O)[C@@H](Cc2ccco2)NC(=O)CCl)cc1 35824791 QNOOTQAJIFJIDO-OAHLLOKOSA-N 334.803 2.747 50 1 EFGF Cc1ccc(C(=O)N/N=C/c2cc(Br)ccc2O)c(O)c1 98082602 HQGGZGLRQCESPG-CAOOACKPSA-N 349.184 2.933 50 1 EFGF C=C1C(=O)O[C@@H]2C=C(C)C[C@H](C(=O)[C@H](C)CC)C=C(C=O)C[C@@H](O)[C@H]12 2356466848 UXZOBEGUIPHMIO-WRJYRGCMSA-N 346.423 2.542 50 1 EFGF CCCc1c(O)ccc2c1O[C@](C)(CNC(=O)[C@H](C)Cl)CC2=O 587458462 JJDKXKPDCXRKLT-BTDLBPIBSA-N 339.819 2.812 50 1 EFGF CN(C)/C=C(\C#N)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587572129 NZLZFWYXSLEDBJ-DUSJZKHYSA-N 336.347 2.691 50 1 EFGF COc1cc([C@H]2Oc3ccc(C=CC=O)cc3[C@@H]2CO)ccc1O 2356595975 ZEIRMWGDKRFTOI-HNAYVOBHSA-N 326.348 2.823 50 1 EFGF O=[N+]([O-])c1cc2nc(/C=C\CBr)[nH]c2cc1[N+](=O)[O-] 586973363 INYBSKQKQQHBLZ-UPHRSURJSA-N 327.094 2.787 50 1 EFGF CC(=O)O[C@]12C(=O)OC(=O)[C@]3(C)CCC[C@](C)(c4ccccc41)[C@@H]23 2356685996 NYUIETATSKBTCZ-UTRMSSBJSA-N 328.364 2.606 50 1 EFGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc(O)c(O)c1)[C@@H](C2)C3=O 587418196 SPACCQDYAQJGKK-KPZWWZAWSA-N 346.766 2.988 50 1 EFGF C=C(C)C(=O)O[C@H]1C/C(C=O)=C\CC/C(C)=C/[C@H]2OC(=O)C(=C)[C@H]12 653884733 ALBLKGCDLVWTRM-LJPDDJSPSA-N 330.380 2.828 50 1 EFGF O=C1OC(=O)/C(=C\NCCC2=CCCCC2)C=C1Br 169303126 USCISHHDPJGHAI-LUAWRHEFSA-N 326.190 2.713 50 1 EFGF COc1cc([C@@H]2Oc3c(O)cc(C=CC=O)cc3[C@H]2CO)ccc1O 2356464425 JMCMHSCTPQLERA-KDOFPFPSSA-N 342.347 2.528 50 1 EFGF C=CC(=O)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 71335320 CFQDNTLGOVXGTA-IZHZTTKVSA-N 338.400 2.924 50 1 EFGF COc1cc2c3c(c1)O[C@](CCl)(c1cc([N+](=O)[O-])c[nH]1)[C@@H](C2)C3=O 587422722 RQKGDONLXNUCEY-ZBEGNZNMSA-N 348.742 2.813 50 1 EFGF Cc1noc(-c2ccc(N3C[C@@H](CN=C=S)OC3=O)cc2F)n1 219753597 RTYNVJDRMLXFGY-SNVBAGLBSA-N 334.332 2.612 50 1 EFGF CN(C)C(=O)N1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 43552625 DCUWAGSATPUZQF-UHFFFAOYSA-N 336.432 2.591 50 1 EFGF N#C/C(C(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1)=C(/O)C1CC1 100785122 NWTUSPOOVUSXJC-DGVDTQEHSA-N 344.314 2.998 50 1 EFGF N#C/C(C(=O)Nc1ccc(C(F)(F)F)cc1)=C(/O)[C@@H]1CCCN1 100784873 JWCPFPIYSYZOIJ-KLDSGFLGSA-N 325.290 2.732 50 1 EFGF CC1(C)O[C@@H]([C@@](C)(O)C=CBr)C[C@@H]1Br 2356505916 UIVSTSHQZIFSSM-XKSSXDPKSA-N 328.044 2.977 50 1 EFGF N#C/C=C1/c2ccccc2N=C(N2CCO[C@@H](CO)C2)c2ccccc21 49627527 ZAEBVBAECKSBLV-GFHWABCWSA-N 345.402 2.727 50 1 EFGF COc1ccccc1C(=O)NN=C(C)c1cc2ccccc2oc1=O 1081818975 YNSUOVVUTBACAJ-UHFFFAOYSA-N 336.347 2.956 50 1 EFGF biogenic CN(C)CCSSCCNC(=O)Cc1cc(F)ccc1F 618007810 JABKTXVIKVPOMI-UHFFFAOYSA-N 334.457 2.567 50 1 EFGF CO[C@]1(c2ncccc2-c2cnn(C)c2)C=C(C#N)C(=O)C(C)(C)C1 1857620624 UVIJCHDXLGLQQL-LJQANCHMSA-N 336.395 2.773 50 1 EFGF COC(C)(C)[C@H](Br)c1nc2ccc(C(=N)N)cc2[nH]1 586971328 PYHFIBJGLCQUCT-SNVBAGLBSA-N 325.210 2.708 50 1 EFGF C[C@@]1(O)CCC[C@]2(C)CCC3=C(CBr)C(=O)O[C@@H]3[C@@H]12 38483377 RNPCGLWXEHGKCI-CTHBEMJXSA-N 329.234 2.955 50 1 EFGF Cc1cccc(NC(=O)/C(C#N)=C/c2cc(O)c(O)c([N+](=O)[O-])c2)c1 40829381 MXPHDXIBDUDMAC-WUXMJOGZSA-N 339.307 2.860 50 1 EFGF Clc1ccc(CN(CCBr)CCn2cncn2)cc1 95597034 VRTKQGQCCRCNMM-UHFFFAOYSA-N 343.656 2.829 50 1 EFGF C[C@H](Cl)C(=O)Nc1cccc(-c2ccc3c(O)nc(O)nc3n2)c1 587367555 YPTIVOGIFNJVML-QMMMGPOBSA-N 344.758 2.669 50 1 EFGF CC(C)Oc1ccc(C(=O)NCCSSCCN(C)C)cn1 621477718 WRFHXYLXCZVBOO-UHFFFAOYSA-N 343.518 2.542 50 1 EFGF COc1c[c-](/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)cc([N+](=O)[O-])c1=O 169688573 PJCYGYHZJMRWKK-WUXMJOGZSA-N 349.326 2.931 50 1 EFGF O=C(CCc1ccc(O)cc1)N[C@@H](Cc1ccccc1)C(=O)CCl 26156673 XKAYYQOZIMXLDI-KRWDZBQOSA-N 345.826 2.860 50 1 EFGF COc1cccc(C(=O)NCCCSSCCN(C)C)c1 618008275 WUINKHJPLRKKEO-UHFFFAOYSA-N 328.503 2.758 50 1 EFGF N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(C#N)cc1 473154369 GQYBICIASJIMQL-INIZCTEOSA-N 341.326 2.883 50 1 EFGF C/C(=N\Nc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Nc1ccccc1 17220013 SHYDLYJPKGQUNY-SFQUDFHCSA-N 327.344 2.868 50 1 EFGF CC1(C)O[C@H](C#N)C[C@H](C[C@]2(C#N)C[C@H](CCl)OC(C)(C)O2)O1 34172385 QOWDBEAYGOCECS-OQMKEHIESA-N 342.823 2.853 50 1 EFGF C[C@@H]1C[C@]12C(=O)OC(=O)C1=C(C(=O)C[C@@H]3C(C)(C)CCC[C@@]13C)[C@H]2O 2356341994 CLLCVCXYAZNYNQ-ZRJINHGISA-N 346.423 2.559 50 1 EFGF N#CC(C#N)=Cc1cc([C@@]2(CCl)NCCc3ccc(O)cc32)c[nH]1 963343382 UZDOHLOXPNFQIO-GOSISDBHSA-N 338.798 2.779 50 1 EFGF CCOC(=O)c1[nH]c2cc(Cl)ccc2c1/C=N/NC(=O)C1CC1 1857556411 SGQSLXLTWVMAPS-QGMBQPNBSA-N 333.775 2.858 50 1 EFGF Cc1cc2c(c(=O)o1)[C@H](c1c[nH]c3ccc(C#N)cc13)C(C#N)=C(N)O2 103169601 HFYVLDPRGJVMPU-INIZCTEOSA-N 344.330 2.519 50 1 EFGF CCOCCOC(=O)/C(C#N)=C(/CC)NCc1ccc(Cl)nc1 103180756 GESZBOUFAGKSNF-YPKPFQOOSA-N 337.807 2.592 50 1 EFGF CCOC(=O)C1=C(C)/C(=C(\C)NNC(=O)c2cc(C)oc2C)N=C1C 34106394 ZHOWHKDPHCTRSG-VBKFSLOCSA-N 345.399 2.716 50 3 EFGF CCOC1=C/C(=C2/C=C(c3ccccc3)NC(N)=C2C#N)C=CC1=O 34209448 SVYVRDMIMOLIOH-PFONDFGASA-N 331.375 2.680 50 3 EFGF COc1cc(C2=C(c3ccccc3)C(=O)OC2=O)cc(OC)c1OC 49757030 DGTUYXGVLCPASI-UHFFFAOYSA-N 340.331 2.707 50 1 EFGF CC1(C)C[C@H]([C@]23CC[C@](C)(CO)[C@H](O)[C@@H]2O3)CC[C@@H]1Br 2356791800 IYPOREKUKVJZKD-PFOYJRTASA-N 347.293 2.867 50 1 EFGF O=C(CCc1ccc(O)cc1)N/N=C\c1coc2ccccc2c1=O 33362920 TTYAJTCHBAXHGP-JAIQZWGSSA-N 336.347 2.582 50 1 EFGF CC1(C)CCC[C@]2(C)c3c(oc4c(B(O)O)c(O)c(O)cc34)CC[C@H]12 217488958 FKFXIIKVWQCPFN-YJYMSZOUSA-N 344.216 2.554 50 1 EFGF COc1ccc(Cl)cc1C#Cc1cccc(C2(C(=O)NN)CC2)c1 587904508 OAZZHSIQNZXNLI-UHFFFAOYSA-N 340.810 2.770 50 1 EFGF C[C@H](CO)[C@]12CC[C@]3(C)CC[C@]4(C)C(=O)CC(C=O)=CC[C@H]4[C@]31O2 2356413397 BEDOXLKSBWDRGE-KXEBQEOWSA-N 332.440 2.827 50 1 EFGF CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)/C=C/c1ccc([N+](=O)[O-])o1 43888095 HTEKWRNQBUUHFQ-HWKANZROSA-N 346.251 2.917 50 1 EFGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)([C@H]1CCOC1)O2 587373573 MBYZZLMISFRGOD-ZUZCIYMTSA-N 340.217 2.713 50 1 EFGF Cc1cc2nc(CCNC(=O)CBr)[nH]c2cc1Cl 586970964 JEHALAMWPYYLRG-UHFFFAOYSA-N 330.613 2.578 50 1 EFGF N[C@]1(C(=O)O)C[C@@H]2C[C@H]1c1cc(N(CCCl)CCCl)ccc12 49777347 YRQXMOLKTOHTOE-JMPLFQLZSA-N 343.254 2.727 50 1 EFGF CCCc1c(O)ccc2c1O[C@@](C)(CNC(=O)[C@H](C)Cl)CC2=O 587458464 JJDKXKPDCXRKLT-DYZYQPBXSA-N 339.819 2.812 50 1 EFGF C=CCC1=CC=C/C(=C\NNC(=O)[C@H](C)Nc2ccc(C)cc2)C1=O 13119027 JBXSSKAAKMMPOZ-XOAFGZPJSA-N 337.423 2.942 50 3 EFGF O=C(NNc1ccc(O)cc1)C(=O)c1c[nH]c2ccc(Cl)cc12 27301733 QBZSPARQTCRMLN-UHFFFAOYSA-N 329.743 2.853 50 1 EFGF COc1ccc(Cl)cc1C#Cc1cccc(O[C@@H](C)C(=O)NN)c1 587905278 OIVJGMOZDNOPDV-LBPRGKRZSA-N 344.798 2.506 50 1 EFGF C=C(C=O)[C@@H]1CCC2=C(C1)C(=O)[C@H](O)[C@H]1C(C)(C)[C@@H](O)CC[C@@]21C 2356647988 KHXPUTCGVCTBNK-NCDIBORCSA-N 332.440 2.585 50 1 EFGF Oc1nc(O)c2ccc([C@@H](Br)c3ccccc3)nc2n1 587365089 AXCDTMVADFKZRE-NSHDSACASA-N 332.157 2.920 50 1 EFGF O=C1OC(=O)c2cc(-c3nc4ccnc(Br)c4[nH]3)ccc21 586908263 RHDAIKXYLUMURA-UHFFFAOYSA-N 344.124 2.698 50 1 EFGF O=P(O)(O)[C@H](Cl)c1ccc([C@@H](Cl)P(=O)(O)O)cc1 27558963 UXQVJVQZIOBDOV-YUMQZZPRSA-N 335.016 2.517 50 1 EFGF COC(=O)c1ccc2nc([C@H](Br)C(C)(C)OC)[nH]c2n1 586971253 PEYSECVOWLERGW-VIFPVBQESA-N 342.193 2.606 50 1 EFGF CCc1c(CC(=O)NN)c2cc(OC)ccc2n1Cc1ccccc1 13445918 SSSAVGZSFZBVMQ-UHFFFAOYSA-N 337.423 2.793 50 1 EFGF C#CC=CC[C@H](Cl)[C@@H]1C[C@H](OC(C)=O)[C@@H](O)C=C[C@@H](CC)O1 2356801769 QUFYLYOBGYXOHP-XAJHFOFHSA-N 326.820 2.590 50 1 EFGF COc1ccc(NC(=O)/C(C#N)=C/c2ccc(O)c(O)c2)c(OC)c1 7066525 CSHGVUBBAZPQSJ-KPKJPENVSA-N 340.335 2.661 50 1 EFGF COC(=O)C(=O)[C@@H](Cl)[C@@]1(C2CC2)c2ccc(C)c3c2C2(CC2)CN31 963728743 ITAWXDUSAMWPDS-VQIMIIECSA-N 345.826 2.815 50 1 EFGF CCCCOC(=O)[C@H](F)[C@@H](Br)C(=O)OCCCC 33815055 IZSTVBJXFOHARS-NXEZZACHSA-N 327.190 2.775 50 1 EFGF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2ccc(C(=O)NN)cc2[nH]1 587931253 RKSCZCVLHMNMGC-YJYMSZOUSA-N 336.395 2.620 50 1 EFGF Cc1cccc2[nH]c(/C(C#N)=C\c3ccc(OCC(N)=O)cc3)nc12 73366562 YDIVAXYCJJGNOJ-ZROIWOOFSA-N 332.363 2.800 50 1 EFGF C=C1C(=O)O[C@H]2CC(C=O)=CCCC(COC(=O)C(C)C)=CC[C@@H]12 2356315321 NNMJTYULHBUMPC-IRXDYDNUSA-N 332.396 2.909 50 1 EFGF CC(C)C1=CC(=O)[C@]2(C)CC[C@]3(C)C(=CC=C(C=O)C[C@@H]3O)[C@]12O 13337431 KGWCGHWCRHXTPS-OJAHFUOMSA-N 330.424 2.505 50 1 EFGF biogenic NNC(=O)c1ccc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c2c1 587087223 JLLPBKKANPBPEV-UHFFFAOYSA-N 325.759 2.968 50 1 EFGF O=C(NN1C(=O)[C@@H](Cl)[C@@H]1c1ccccc1Cl)c1ccncc1 103293933 HUIRTELBZXYOEO-STQMWFEESA-N 336.178 2.571 50 1 EFGF N#C/C(=C\c1ccc(O)c(O)c1)C(=O)OC[C@@H]1O[C@H]1c1ccccc1 103245118 XPCDIRNURBBELW-AYUCCAJWSA-N 337.331 2.688 50 1 EFGF CC(=O)OC/C(=C\C=O)[C@H](C/C=C(\C)C#CC=C(C)C)OC(C)=O 14721195 ZNJRJRLDPRAASN-FXLUSVPFSA-N 332.396 2.913 50 1 EFGF N#CC1=C(N)n2nc(N)c(Cc3ccccc3)c2N[C@H]1c1cccs1 958026459 ILDZNUBXRUXLTQ-OAHLLOKOSA-N 348.435 2.935 50 1 EFGF COCc1cc(/C=N\NC(=O)Cc2ccc(OC)cc2)ccc1OC 33309704 KJCVGGHARKSLKY-NDENLUEZSA-N 342.395 2.543 50 3 EFGF O=C1C[C@@](CBr)(C(=O)O)Oc2c1ccc1c2CCCC1 587502041 ZTMHJIZTCVRKMH-OAHLLOKOSA-N 339.185 2.749 50 1 EFGF CC(/C=N/Nc1ccc([N+](=O)[O-])cc1)=N\NC(=O)c1ccccc1 1857759252 PWBLPFKNDNNAQH-JYFOCSDGSA-N 325.328 2.798 50 1 EFGF C=C1C(=O)O[C@@H]2C=C(C)C[C@H](C(=O)[C@H](C)CC)C=C(C=O)C[C@@H](O)[C@@H]12 2356466847 UXZOBEGUIPHMIO-STLJJKNPSA-N 346.423 2.542 50 1 EFGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc([N+](=O)[O-])c[nH]1)O2 587371210 DWYFEVWIUNEZQU-HNNXBMFYSA-N 335.747 2.913 50 1 EFGF ClC[C@@H]1[C@@H]2CO[C@H]3[C@H]2C[C@H]1[C@H]3n1cnc2c(Cl)ncnc21 253683576 ONWNGCSKKPIYET-LILFGPHWSA-N 325.199 2.541 50 1 EFGF O=C1C[C@](CBr)(C(=O)O)Oc2c1ccc1c2CCCC1 587502027 ZTMHJIZTCVRKMH-HNNXBMFYSA-N 339.185 2.749 50 1 EFGF COc1cc([C@H]2Oc3ccc(C=CC=O)cc3[C@H]2CO)ccc1O 2356595974 ZEIRMWGDKRFTOI-DNVCBOLYSA-N 326.348 2.823 50 1 EFGF ClC[C@@H]1[C@@H]2CO[C@@H]3[C@H]2C[C@H]1[C@H]3n1cnc2c(Cl)ncnc21 253683583 ONWNGCSKKPIYET-PFVOVASCSA-N 325.199 2.541 50 1 EFGF COc1ccccc1N1C(=O)/C(=N/c2ccccc2O)[C@H](Cl)C1=O 169688575 KSWXVEZASUXVJS-PTJLRZKYSA-N 344.754 2.654 50 1 EFGF Cn1ncc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)n1 587497158 HJKRVCPWDMWSJA-QGZVFWFLSA-N 331.803 2.793 50 1 EFGF Cc1ccc(-c2cc(C(=O)NN/C=C3\C=Nc4ccccc43)n[nH]2)o1 13119006 WPTCRNQMHACOTG-ZRDIBKRKSA-N 333.351 2.970 50 3 EFGF NCCSSCCCNC(=O)c1cc(-c2ccccc2)no1 618007675 KWFCNAQZTOTOCW-UHFFFAOYSA-N 337.470 2.802 50 1 EFGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)([C@@H]1CCOC1)O2 587373572 MBYZZLMISFRGOD-MEBBXXQBSA-N 340.217 2.713 50 1 EFGF COC(=O)[C@H](Cl)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541315 AVVITZHFZIIYSU-IOASZLSFSA-N 348.738 2.503 50 1 EFGF O=C(COc1c(Cl)cc(Cl)cc1Cl)N/N=C/c1cc[nH]n1 95755663 ARLPICYJZSGJCX-YAXRCOADSA-N 347.589 2.899 50 1 EFGF C=C(C=O)[C@@H]1CC[C@@H]2[C@@H](C1)C(=O)[C@@H](O)[C@@H]1C(C)(C)[C@H](O)CC[C@]12C 66262679 PYTXCJKULGAJQT-WEMZJFJNSA-N 334.456 2.521 50 1 EFGF Oc1nc(O)c2cc(Cc3ccccc3)c(CBr)nc2n1 587366702 PIZHXTVFSCFSHY-UHFFFAOYSA-N 346.184 2.922 50 1 EFGF CC(C)C(=O)CC[C@@H]1C(C=O)=C[C@H](O)[C@@H]2C(C)(C)[C@@H](O)CC[C@]12C 2356450055 GZAWIMMRLPNFME-GIYWUFHFSA-N 336.472 2.911 50 1 EFGF CC(C)(C)[Si](C)(C)O[C@@]12C#C/C=C\C#C[C@@H](O)C(=CCC1)C2=O 195326308 NXGUSROHOGYCLG-VAQJZUQRSA-N 328.484 2.974 50 1 EFGF CCOc1cc(OCC)cc(C(=O)NCCSSCCN)c1 618008143 ZYABDMDCSUCTHJ-UHFFFAOYSA-N 344.502 2.554 50 1 EFGF CCN1N=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H](Cl)C1=O 587503165 XHDUKXNKBIOZQW-AEFFLSMTSA-N 346.814 2.725 50 1 EFGF C=C(C)[C@H](O)CC[C@H](C)[C@H]1CC[C@]2(C)[C@@H](O)CC=C(C=O)[C@]12C=O 238781621 FGQBUPFFWVREBP-AZRHEHLBSA-N 334.456 2.831 50 1 EFGF C=CCN1/C(=C(\C#N)c2nc3ccccc3[nH]2)Sc2c1nc[nH]c2=O 3589388 XPTYPOFRFWEOOA-YVLHZVERSA-N 348.391 2.637 50 1 EFGF O=C(N/N=C/c1c(Cl)c2ccccc2oc1=O)c1ccc(O)cc1 1772608578 JZKUSFNIPKOYMJ-DJKKODMXSA-N 342.738 2.916 50 1 EFGF CCCc1c(O)ccc2c1O[C@@]1(C=C(CCl)OCC1=O)CC2=O 587461865 UTBJWSHLTGCYTG-KRWDZBQOSA-N 336.771 2.771 50 1 EFGF CC(C)(C)OC(=O)NNC(=C1C=CC(=O)C=C1)c1ccc(O)cc1 103743116 XECVKRZTCYCPLR-UHFFFAOYSA-N 328.368 2.828 50 3 EFGF NCCSSCCCNC(=O)c1cc2cc(F)ccc2[nH]1 618007558 FUYSURJNVKVXAN-UHFFFAOYSA-N 327.450 2.767 50 1 EFGF COC(=O)c1cccc(/C=N/N(C)C(=O)c2ccc(N(C)C)cc2)c1 653687490 WBOUWWFEUFJPIJ-DEDYPNTBSA-N 339.395 2.645 50 1 EFGF Cc1ccc2nc(Cl)c(/C=N/NC(=O)c3cnccn3)cc2c1 47219493 WXSKQJQQIDLCMO-DNTJNYDQSA-N 325.759 2.751 50 1 EFGF NNC(=O)c1ccc(CSc2ncccc2C(F)(F)F)cc1 103426213 OIJVXNWODYOGTE-UHFFFAOYSA-N 327.331 2.996 50 1 EFGF CCCCOC(=O)[C@H](Br)[C@H](F)C(=O)OCCCC 33815056 IZSTVBJXFOHARS-ZJUUUORDSA-N 327.190 2.775 50 1 EFGF O=C(c1ccc[n+](Cc2ccccc2)c1)N(CCCl)CCCl 98083342 RBGWDAGKYMYFFE-UHFFFAOYSA-N 338.258 2.942 50 1 EFGF N#C/C(=C\c1ccc(O)c(O)c1)C(=O)OC[C@H]1O[C@H]1c1ccccc1 103245122 XPCDIRNURBBELW-VVQHIGPZSA-N 337.331 2.688 50 1 EFGF C[C@@H]1OC2(CCN(C)CC2)C/C1=N\NC(=O)CCCc1ccccc1 26501346 IRQRFFXWFRWXGI-QMWCZEAPSA-N 343.471 2.755 50 1 EFGF CO[C@@]12CCN(C)C[C@H]1[C@H](c1ccc3ccccc3c1)C(C#N)=C(N)O2 299818526 AOHVLBAFJXYOTJ-QKNQBKEWSA-N 349.434 2.942 50 1 EFGF COC(=O)c1cc(Cl)c2[nH]c(C(C)(C)NC(=O)CCl)nc2c1 587008913 RNSZIGVIEJVVKA-UHFFFAOYSA-N 344.198 2.593 50 1 EFGF C[C@](O)(CCl)COC1=C[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(O)=C1 64552949 DEGDWHGFCLTYIK-UXLLHSPISA-N 336.771 2.592 50 1 EFGF CN1[C@@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@@H](c4cccs4)[C@H]3[C@H]1CC2 4102630 VCWFGDAOTFYHFQ-WQFMGJDKSA-N 347.447 2.634 50 1 EFGF C[P@](=O)(c1ccccc1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12 59425506 VNOSREICZPKZRF-QFIPXVFZSA-N 332.727 2.864 50 1 EFGF C#C/C=C\CCC(=O)C[C@H]1O[C@H](CC)[C@@H](Br)C[C@H]1O 85642396 UGJHRFRUTHOGOT-XITYAHQXSA-N 329.234 2.607 50 1 EFGF N#C[C@H](c1ccccc1)C1CCN(S(=O)(=O)CCCCl)CC1 206036157 NRUUOFCJQCVYMU-MRXNPFEDSA-N 340.876 2.964 50 3 EFGF COc1ccc(C(=O)C=CNNC(=O)c2ccc(Cl)cc2)cc1 1857623830 YHYJVCWQFZBUIQ-UHFFFAOYSA-N 330.771 2.980 50 1 EFGF C[C@H]1OC2(CCN(C)CC2)C/C1=N\NC(=O)CCCc1ccccc1 26501349 IRQRFFXWFRWXGI-AXNLMSORSA-N 343.471 2.755 50 1 EFGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)([C@H]1CCOC1)O2 587373571 MBYZZLMISFRGOD-BONVTDFDSA-N 340.217 2.713 50 1 EFGF NC(=O)C[C@@H](CC(=O)Oc1ccc([N+](=O)[O-])cc1)c1ccccc1 44201817 BEEWYHROLVPQJL-ZDUSSCGKSA-N 328.324 2.550 50 1 EFGF N#C/C(=C\c1cc(O)c(O)c(CSCc2ccccc2)c1)C(N)=O 13833839 JPNQHDIBDBJKGZ-MKMNVTDBSA-N 340.404 2.923 50 1 EFGF N[C@]1(C(=O)O)C[C@@H]2C[C@@H]1c1cc(N(CCCl)CCCl)ccc12 101347809 YRQXMOLKTOHTOE-DRZCJDIDSA-N 343.254 2.727 50 1 EFGF C[C@]12CC[C@@H]3[C@H](CC[C@H]4[C@@](O)(C#N)[C@H](O)CC[C@]34C)[C@H]1CCC(=O)O2 299807167 FTVJLTOZPAYRAH-XZWYZKRPSA-N 347.455 2.550 50 1 EFGF N[C@]1(C(=O)O)C[C@H]2C[C@H]1c1cc(N(CCCl)CCCl)ccc12 101347801 YRQXMOLKTOHTOE-FUEDEBDSSA-N 343.254 2.727 50 1 EFGF CC[C@H](Oc1ccccc1F)c1nc2ccc(C(=O)NN)cc2[nH]1 587155472 LLBNEPXTCFABKP-AWEZNQCLSA-N 328.347 2.836 50 1 EFGF O=C(Nc1ccc(Cl)cc1C(=O)O)c1ccc2c(c1)C(=O)OC2=O 653780393 PVLGBXMEDNNLRH-UHFFFAOYSA-N 345.694 2.601 50 1 EFGF CC(/C=N/Nc1ccc([N+](=O)[O-])cc1)=N\NC(=O)c1ccc(O)cc1 1857641536 SEQZLEYVQQKZSJ-ODPUSEOTSA-N 341.327 2.504 50 1 EFGF Cc1ccc(N2CCN(Cc3oc(CCl)cc(=O)c3O)CC2)cc1 96922702 REARESFNSKZBNG-UHFFFAOYSA-N 348.830 2.715 50 1 EFGF COCCNc1nccc(/C(C#N)=C2\Nc3ccccc3S2)n1 13647710 RNYLBHVQMFNTKV-RVDMUPIBSA-N 325.397 2.945 50 1 EFGF CC(C)[C@H](Br)[C@H]1N[C@H](C(=O)O)Cc2cccc(F)c21 962915302 VDXTXRPNGVZLHB-DRZSPHRISA-N 330.197 2.885 50 1 EFGF COc1ccc2c(c1O)[C@@]13C=C(C#N)CC[C@@]1(OC)[C@@H](C2)N(C)CC3 13648773 QWWYRGKGEGISFR-NSISKUIASA-N 340.423 2.528 50 1 EFGF C[C@H](Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)NN 103176981 NWMICQSARXHMFX-QMMMGPOBSA-N 342.182 2.938 50 1 EFGF C[C@@H](c1ccc(CBr)cc1)c1nc2c[nH]c(=N)[nH]c-2n1 586972961 DGECAGIWFATNIY-QMMMGPOBSA-N 332.205 2.764 50 1 EFGF NNC(=O)c1cc(-c2ccc(Cl)cc2)nn1-c1ccc(F)cc1 957656333 RKWJUEQCPZRBRP-UHFFFAOYSA-N 330.750 2.935 50 1 EFGF N#C/C(=C\c1ccc(O)c(O)c1)C(=O)OCC#Cc1ccsc1 103245070 RWOZRIGASHDKIW-RIYZIHGNSA-N 325.345 2.661 50 1 EFGF CCC[C@H](C[C@@H](O)C(Br)Br)OC(C)=O 5842311 OJACLJLXKPGSGL-HTQZYQBOSA-N 332.032 2.585 50 1 EFGF biogenic Cc1nc2ccccc2cc1C(=O)NN=C1C(=O)Nc2ccc(F)cc21 1911579296 RRBOWYNHVXLQBW-UHFFFAOYSA-N 348.337 2.769 50 1 EFGF O=C(CCCCc1ccc(F)cc1)N/N=C/c1ccc(O)c(O)c1O 1772655549 MBOKXSKNGHWALA-RGVLZGJSSA-N 346.358 2.806 50 1 EFGF COC(C)(C)[C@@H](Br)c1nc2c(S)nc(S)nc2[nH]1 586971636 UXRJHMKOXMCQKY-YFKPBYRVSA-N 349.279 2.791 50 1 EFGF C=CCOC(=O)N1CCc2c(c(=O)oc3c(CCl)c(O)ccc23)C1 169347628 UBYAMESGUWGDHO-UHFFFAOYSA-N 349.770 2.918 50 1 EFGF CC(/C=N/Nc1ccc([N+](=O)[O-])cc1)=N\NC(=O)c1ccccc1O 1857757555 GPQQCIFORASDAX-ODPUSEOTSA-N 341.327 2.504 50 1 EFGF Cc1noc(-c2ccc(N3C[C@H](CN=C=S)OC3=O)cc2F)n1 219753526 RTYNVJDRMLXFGY-JTQLQIEISA-N 334.332 2.612 50 1 EFGF CCCc1c(O)ccc2c1O[C@]1(C=C(CCl)OCC1=O)CC2=O 587461870 UTBJWSHLTGCYTG-QGZVFWFLSA-N 336.771 2.771 50 1 EFGF CCN(CC)c1ccc(C(=O)NNC(C)=C2C=CC(=O)C=C2)cc1 13120606 SXQFLSHQWXPGCD-UHFFFAOYSA-N 325.412 2.736 50 3 EFGF CC1(C)CCC[C@@]2(C)c3c(oc4c(B(O)O)c(O)c(O)cc34)CC[C@H]12 217488875 FKFXIIKVWQCPFN-BFUOFWGJSA-N 344.216 2.554 50 1 EFGF Cn1cccc1C=NNC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 263590415 AUIDUQRLJLPJSC-UHFFFAOYSA-N 327.775 2.833 50 3 EFGF CN(C)CCSSCCN(C)C(=O)Cc1cccc(F)c1 618010547 ZIKLXZGDCIWLJT-UHFFFAOYSA-N 330.494 2.770 50 1 EFGF C=C(CC[C@@H]1CCC2=C(C(=O)O[C@H]2O)C1(C)C)C[C@H](O)C=C(C)C=O 2356751730 KLTJWBBZPJDJIL-RVKKMQEKSA-N 348.439 2.827 50 1 EFGF Cc1cc2c(cc1F)[C@](C)([C@H](NC(=O)CCl)C(C)C)NCC2 962294323 BVAYVWWXLAOTJL-IAGOWNOFSA-N 326.843 2.875 50 1 EFGF C/C(=N\NC(=O)c1cccc2ccccc12)c1c(C(=O)O)noc1C 96935535 SPTYVHRBFGEYBN-VXLYETTFSA-N 337.335 2.988 50 1 EFGF CCOC(=O)[C@@]1(C)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 103194230 CYGYXHXABMAWOV-QDUGBWKWSA-N 326.389 2.554 50 1 EFGF NC(=O)c1cc(Cc2ccccc2)cc(C(=O)CBr)c1 29055660 XYDIPAREYCYKBH-UHFFFAOYSA-N 332.197 2.954 50 1 EFGF COc1ccc(/C=C/C(=O)NCCSSCCN)cc1Cl 618007536 BEHXBRRWHRXXIP-HWKANZROSA-N 346.905 2.818 50 1 EFGF CCCCNC(=O)c1cccc(NC(=O)[C@@H](C)Br)c1 28954459 LJIHCXMYMRFGAP-SNVBAGLBSA-N 327.222 2.938 50 1 EFGF N[C@H](C1CCCCC1)[C@H](O)C(=O)NNc1cccc2ccccc12 27988252 CPNCBQATOXCXPS-MSOLQXFVSA-N 327.428 2.551 50 1 EFGF C[C@H](CO)C1=C2[C@@H]3CC=C(C=O)CC(=O)[C@@]3(C)CC[C@@]2(CO)CC1 2356721196 XQEPJFHJUOQRQV-UNGRWJMUSA-N 332.440 2.588 50 1 EFGF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C=O)C[C@@H](OC(=O)C(C)C)[C@H]12 2356780542 YWCXXASGSVDIPE-BRWVUGGUSA-N 332.396 2.908 50 1 EFGF CCOc1ccc(OCC)c(-c2nc3ccc(C(=O)NN)cc3[nH]2)c1 587777718 CWTQIRUGBIWUMV-UHFFFAOYSA-N 340.383 2.631 50 1 EFGF CCC(=O)Nc1cc[n+](C2=Nc3ccccc3NC2=C(C#N)C#N)cc1 101647376 QKXVBXGPGQUOJD-UHFFFAOYSA-O 343.370 2.628 50 1 EFGF COc1ccc([C@H]2C[C@@H]2C(=O)NNc2nncc3ccccc23)cc1 49067261 ZDKBPSRSJLMORT-SJORKVTESA-N 334.379 2.885 50 1 EFGF CC[C@H](C)n1cc(Cl)c(-c2nc3cc(C(=O)NN)ccc3[nH]2)n1 587078860 CJQPPBSAVPEZRX-QMMMGPOBSA-N 332.795 2.654 50 1 EFGF C[C@H](N)[C@@H]1CC[C@@H](C)C2(C1)OOC1(C[C@H]([C@H](C)N)CC[C@H]1C)OO2 64527324 BUROIDFHGMDKOU-KXNWQPPGSA-N 342.480 2.856 50 1 EFGF O=C(NN1C(=O)[C@H](Cl)[C@@H]1c1ccc(Cl)cc1)c1ccncc1 103297005 GLUMHYBIXUSZOS-OLZOCXBDSA-N 336.178 2.571 50 1 EFGF CC(C=O)=CCC[C@@](C)(O)[C@H](O)C=CC(C)=CC(=O)c1ccc[nH]1 2356475256 UUEGKBXDGVAPLG-RTBURBONSA-N 331.412 2.737 50 1 EFGF CN(C)CCSSCCCn1cc(-c2ccccc2N)nn1 618009612 GBQKDDCXHPWATO-UHFFFAOYSA-N 337.518 2.860 50 1 EFGF CC[C@@H](Oc1ccccc1F)c1nc2ccc(C(=O)NN)cc2[nH]1 587155474 LLBNEPXTCFABKP-CQSZACIVSA-N 328.347 2.836 50 1 EFGF CC(C)=CCC[C@@H]1COC(=O)[C@@H]2C(C=O)=CC[C@@H]3O[C@]3(C)C[C@@H](O)[C@@H]12 2356563948 GKQSMVCMXQSIEG-KMBCLYMLSA-N 348.439 2.576 50 1 EFGF C[C@H](Oc1ccccc1)C(=O)NCCSSCCN(C)C 618008480 HINQPWCDTFOFLM-ZDUSSCGKSA-N 328.503 2.513 50 1 EFGF CO[C@]12C[C@H](CC[C@@H]1C)[C@](C)(CI)OO2 43393796 LVSKPZQYWLVRST-NAKRPEOUSA-N 326.174 2.921 50 1 EFGF O=S(=O)(O)c1ccc2nc(CCCCBr)[nH]c2c1 586972510 VMEJQVUJRVTPEJ-UHFFFAOYSA-N 333.207 2.527 50 1 EFGF NNC(=O)c1ccc2nc([C@@H]3SCCc4sccc43)[nH]c2c1 587037772 YECNCPTYVSAGLH-CYBMUJFWSA-N 330.438 2.607 50 1 EFGF C=C(CC[C@@H]1CCC2=C(C(=O)O[C@H]2O)C1(C)C)C[C@@H](O)C=C(C)C=O 2356751728 KLTJWBBZPJDJIL-IIDMSEBBSA-N 348.439 2.827 50 1 EFGF C[C@H](Oc1ccc(F)c(F)c1)c1nc2ccc(C(=O)NN)cc2[nH]1 587150506 LCJWPHZDSPMDLW-QMMMGPOBSA-N 332.310 2.585 50 1 EFGF O=C(NO)c1cccc(C(=O)N/N=C/c2cccc3ccccc23)c1 95808798 JNOWQPNXHATCSG-UDWIEESQSA-N 333.347 2.723 50 1 EFGF COC(=O)c1ccnc2[nH]c([C@H](Br)C(C)(C)OC)nc12 586970882 HXRXDTAHHYEEEK-VIFPVBQESA-N 342.193 2.606 50 1 EFGF O=C(O)CCCC(=O)O[C@]12CCCC[C@@H]1[C@@H]1CCCC[C@@]1(O)OO2 169314192 YSTWBFAHJRSZBO-IXKJSCDLSA-N 342.388 2.512 50 1 EFGF CN(C)C(=O)/C(C#N)=C/c1cccc(Oc2cnc3[nH]ccc3n2)c1 148992839 WFGUWJCHAKVDEN-MDWZMJQESA-N 333.351 2.745 50 1 EFGF CC1(C)OC2=C(C(=O)C(=O)c3ccccc32)[C@@H]1n1cc(CCl)nn1 299833500 OZFXQHHXFRNMCS-INIZCTEOSA-N 343.770 2.544 50 1 EFGF CC1(C)OC2=C(C(=O)C(=O)c3ccccc32)[C@H]1n1cc(CCl)nn1 299833502 OZFXQHHXFRNMCS-MRXNPFEDSA-N 343.770 2.544 50 1 EFGF C=C1C(=O)O[C@@H]2CC(C=O)=CCCC(COC(=O)C(C)C)=CC[C@@H]12 2356315319 NNMJTYULHBUMPC-DLBZAZTESA-N 332.396 2.909 50 1 EFGF Cc1cc2c(cc1Cl)[C@@]1(C(C#N)=CO2)c2c(cnn2C)CCN1C 963954203 HVMWJIJJYMQRKG-SFHVURJKSA-N 340.814 2.913 50 1 EFGF COC1=CC(=C/C(C#N)=C2\Nc3ccccc3N2C)C=C(OC)C1=O 13119036 TVXDQHZBGHIZBH-UYRXBGFRSA-N 335.363 2.853 50 3 EFGF CN1CCC(=NNC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1 42175528 CJWMBOGVBOVVMS-UHFFFAOYSA-N 331.807 2.542 50 3 EFGF CCc1c(C(=O)CCl)[nH]c(C)c1-c1ccc2c(O)nc(O)nc2n1 587366229 LLMDWSSBXVZZPP-UHFFFAOYSA-N 346.774 2.723 50 1 EFGF COC(=O)N1C=CC=C([C@H]2C(C#N)=C(C)N=C(C)/C2=C(/O)OC)C1 40511778 XBWCOWBTUWMUJP-IDTYTIONSA-N 329.356 2.813 50 1 EFGF COc1ccc(Cl)cc1C#Cc1ccc(O[C@@H](C)C(=O)NN)cc1 587907570 NWDLTSFLXAWSAI-LBPRGKRZSA-N 344.798 2.506 50 1 EFGF CC(C)(C)[Si](C)(C)O[C@@]12C#CC=CC#C[C@H](O)C(=CCC1)C2=O 299808281 NXGUSROHOGYCLG-LPHOPBHVSA-N 328.484 2.974 50 1 EFGF CSc1ncccc1C(=O)NCCCSSCCN(C)C 618008224 VNIAKEKHRPJBHX-UHFFFAOYSA-N 345.559 2.866 50 1 EFGF CC(C)(C)[Si](O[C@@H]1CCOC1=O)(c1ccccc1)c1ccccc1 195501509 FGDFCPQKZXVVEX-GOSISDBHSA-N 340.495 2.879 50 1 EFGF COc1ccc(Cl)cc1C#C/C(C=O)=C(\Br)C(=O)O 587899153 ULHCRSFMTCXJBM-FMIVXFBMSA-N 343.560 2.633 50 1 EFGF C/C(=N/NC(=O)c1ccc(N(C)C)cc1)c1cccc([N+](=O)[O-])c1 231835 WJGZWDKZUASGMF-PDGQHHTCSA-N 326.356 2.815 50 1 EFGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cnn(C)n1)CC2=O 587458297 ACPNZPCSFBJYRX-INIZCTEOSA-N 335.791 2.573 50 1 EFGF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@]13O[C@]21C(=O)C=C(C=O)[C@@H]3[C@@H]1CO1 13457504 NVKLCCHKTIWBOX-PNYFVIERSA-N 330.424 2.844 50 1 EFGF COc1ccc(/C(O)=C(/C=C(C#N)C#N)[n+]2ccc(OC)cc2)cc1 96933747 ZYDPBLDVQZKBSZ-VHEBQXMUSA-O 334.355 2.849 50 1 EFGF COc1cc2c(cc1NC(=O)C=C(C)NNC=O)oc1ccccc12 2356319563 NCUCLXNBNACTFD-UHFFFAOYSA-N 339.351 2.688 50 1 EFGF Cc1c(O)n[nH]c1C(=O)N/N=C/C(Br)=C/c1ccccc1 4638327 CYTJKKGVSCLHQA-UZWVFUBISA-N 349.188 2.575 50 1 EFGF CO[C@@]1(c2ncccc2-c2cnn(C)c2)C=C(C#N)C(=O)C(C)(C)C1 1857620623 UVIJCHDXLGLQQL-IBGZPJMESA-N 336.395 2.773 50 1 EFGF CC1(C)C(=O)C(C#N)=C[C@]2(C)C3=CC(=O)C(C(=O)O)=C[C@]3(C)CC[C@@H]12 43911158 VQGLKNMJFOHNKZ-GKCIPKSASA-N 339.391 2.988 50 1 EFGF O=C1OC(=O)c2cc(-c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)ccc21 586906494 MUAUPTCAJDODDP-UHFFFAOYSA-N 327.227 2.588 50 1 EFGF CCOC(=O)c1c(CBr)[nH]c2c(C(=O)O)cccc12 587636901 OMSVJDRISVZOOE-UHFFFAOYSA-N 326.146 2.938 50 1 EFGF O=C(O)CCCCCCC(=O)N/N=C/c1ccc(Br)o1 95808452 UEFQQGQGJNLDRE-OQLLNIDSSA-N 345.193 2.917 50 1 EFGF Cc1ccc(/C=C(\C#N)c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1 587187645 KHGHENSTSSLHLZ-UKTHLTGXSA-N 338.392 2.583 50 1 EFGF CC1=C(c2ccc3nc([C@H](C)Br)[nH]c3c2)NNC(=O)C1 587009200 WVPIGWSRGAHETO-QMMMGPOBSA-N 335.205 2.774 50 1 EFGF CC1(C)O[C@@H]([C@](C)(O)/C=C/Br)C[C@@H]1Br 14637025 UIVSTSHQZIFSSM-BAZKGXGOSA-N 328.044 2.977 50 1 EFGF CCCc1c(O)ccc2c1O[C@@](CCl)(CC(=O)OC)CC2=O 587457732 BWTBOVPZNCBLSF-MRXNPFEDSA-N 326.776 2.851 50 1 EFGF C=C1C(=O)O[C@@H]2C=C(C)C[C@H](C(=O)[C@H](C)CC)C=C(C=O)C[C@H](O)[C@H]12 2356466846 UXZOBEGUIPHMIO-FMUWMXLXSA-N 346.423 2.542 50 1 EFGF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@]2(CCC[C@@H](Br)C2)N1 962922294 PTSNXDWRIAQOGO-DGFSRKRXSA-N 342.208 2.957 50 1 EFGF CC(C=O)=C1C(=O)C[C@@H]2[C@]1(C)CC[C@H]1[C@](C)(C(=O)O)[C@H](O)CC[C@]21C 2356383516 PDWLHNPWJPOTFR-NBUFYSGYSA-N 348.439 2.759 50 1 EFGF Cc1cccc(C)c1NC(=O)[C@@H](Cc1ccco1)NC(=O)CCl 35949796 UGQKQXDFMKVXNS-CQSZACIVSA-N 334.803 2.801 50 1 EFGF COc1cccc(CC(=O)NCCCSSCCN(C)C)c1 618007887 MBKCOGKQLRZZNC-UHFFFAOYSA-N 342.530 2.687 50 1 EFGF C[C@H](CO)C1=C2[C@@H]3C[C@H]4O[C@@](O)(C=C4C=O)[C@]3(C)CC[C@@]2(C)CC1 2356728453 KDCRRIJQFGCYJS-PXSVOPOGSA-N 332.440 2.744 50 1 EFGF C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C(C=O)=C[C@@]43C)[C@H]1CC[C@@]2(C)O 2356581556 AMVODTGMYSRMNP-DWBADUGPSA-N 344.451 2.585 50 1 EFGF C[C@](O)(CCl)COC1=C[C@H]2Oc3ccccc3C(=O)[C@H]2C(O)=C1 299806613 DEGDWHGFCLTYIK-VYDXJSESSA-N 336.771 2.592 50 1 EFGF COc1ccc(/C=N/NC(=O)/C=C/c2ccc(O)c(OC)c2)cc1 1857534483 HLVGLTIKHLCMAO-ATFGCDJJSA-N 326.352 2.573 50 1 EFGF CN(C)CCSSCCCNC(=O)Cc1ccc(C#N)cc1 618009425 CWUONHWOZCSCCB-UHFFFAOYSA-N 337.514 2.550 50 1 EFGF CN(C)C(=O)[C@H](Cl)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587494788 ACLKKTOPJCBVOA-FUHWJXTLSA-N 335.831 2.985 50 1 EFGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cncnc1)O2 587370334 AIRRSQXCQHYVOL-OAHLLOKOSA-N 348.200 2.623 50 1 EFGF O=C1c2cc(Cl)ccc2N=C(NCCCl)[C@@H]2CSCN12 1649456 GRTRBFAWGBVBRM-NSHDSACASA-N 330.240 2.727 50 1 EFGF NC1=N/C(=N\NC(=O)c2cc(Cl)ccn2)c2ccc3ccccc3c21 103190826 CGIHWDYIQMRCBG-UHFFFAOYSA-N 349.781 2.699 50 1 EFGF CN(C)CCSSCCCn1cc(-c2ccc(N)cc2)nn1 618010334 TXDSOPJRLPRBBP-UHFFFAOYSA-N 337.518 2.860 50 1 EFGF C[N+](CCCl)(CCCl)Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 5852451 CAWUKLJLQIHDHZ-UHFFFAOYSA-N 337.183 2.927 50 1 EFGF CC(C)[C@@H](CCl)N(C)[C@H]1[C@H](O)C(C)(C)O[C@@H]2C=CC(C#N)=C[C@@H]21 96902515 HOBXSQABSDKZBJ-UTSKFRMZSA-N 338.879 2.724 50 1 EFGF C=CCOC(=O)[C@@]1(C)O[C@@H]2O[C@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 103188959 MSGLLDZBTORFMH-QUKHICECSA-N 338.400 2.720 50 1 EFGF C[C@@H]1C[C@](C)(O)C[C@@H]2[C@H](Cl)[C@H](O)[C@H](C)[C@H](C=CC=CC(=O)O)[C@H]21 2356718961 LQERRSZNVUJFFC-SSEXHUHFSA-N 342.863 2.831 50 1 EFGF O=C(CC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3)NO 49722545 OVMHHBYFRQUHRX-UHFFFAOYSA-N 337.416 2.899 50 1 EFGF C[C@H](CO)C1=C2[C@@H]3C[C@H]4O[C@@](O)(C=C4C=O)[C@@]3(C)CC[C@]2(C)CC1 2356728451 KDCRRIJQFGCYJS-BONLNXOASA-N 332.440 2.744 50 1 EFGF CO[C@@H]1O[C@@]2(C)CC[C@H]3CCC[C@@H](CCOC(=O)N(C)C)[C@@]31OO2 101266611 ZXIYUAYPVUCHCX-QZCUMHFISA-N 343.420 2.691 50 1 EFGF CN1C(C)(C)[C@H](Br)C(=O)[C@@H](Br)C1(C)C 73330291 VAZIMIWGDSXAHP-HTQZYQBOSA-N 327.060 2.585 50 1 EFGF CC(C)c1nn(C)c2c1[C@@](CCCl)(c1ccc(O)cc1O)NCC2 962923274 YPXIMBMDOJPUJT-GOSISDBHSA-N 349.862 2.973 50 1 EFGF Cc1ccc([C@@H]2[C@H](Cl)C(=O)N2n2cnc3ccccc3c2=O)cc1 5838678 NVUKHYBENWSVTK-JKSUJKDBSA-N 339.782 2.532 50 1 EFGF O=NN(CCCl)CCSSCCN(CCCl)N=O 28233345 IKEVNWRVYCDTBR-UHFFFAOYSA-N 335.282 2.812 50 1 EFGF CO[C@H]1O[C@]2(C)CC[C@H]3CCC[C@@H](CCOC(=O)N(C)C)[C@@]13OO2 100832935 ZXIYUAYPVUCHCX-UAHISNFZSA-N 343.420 2.691 50 1 EFGF CC(=O)N/N=C/c1cn(-c2ccc(C(=O)O)cc2)nc1-c1ccccc1 1772574209 QOFBFVUPWFBTJV-RGVLZGJSSA-N 348.362 2.708 50 1 EFGF COC(=O)N1C=CC=C([C@@H]2C(C#N)=C(C)N=C(C)/C2=C(/O)OC)C1 40511779 XBWCOWBTUWMUJP-DPEHCCBOSA-N 329.356 2.813 50 1 EFGF COC(C)(C)[C@H](Br)c1nc2ccc(CCO)cc2[nH]1 586971260 PJJUDCYHAUNHOZ-GFCCVEGCSA-N 327.222 2.959 50 1 EFGF CCc1ccc(/C(C)=N\NC(=O)CNC(=O)/C=C/c2ccco2)cc1 15974474 IQCYVFPSUWKQDB-WUBPZDNYSA-N 339.395 2.512 50 1 EFGF CCCN1CC[C@@]2(OC)OC(N)=C(C#N)[C@@H](c3ccc(F)cc3)[C@@H]2C1 299837264 OGUOGZXETHTPPW-YQVWRLOYSA-N 345.418 2.708 50 1 EFGF CO[C@@H]1O[C@@]2(C)CC[C@H]3CCC[C@@H](CCOC(=O)N(C)C)[C@]31OO2 43834724 ZXIYUAYPVUCHCX-AEKWLRTRSA-N 343.420 2.691 50 1 EFGF O=c1cc(CCl)oc(CN2CCN(C3CCCCC3)CC2)c1O 96922711 SQKIDGINJQMSFR-UHFFFAOYSA-N 340.851 2.535 50 1 EFGF CCCc1c(O)ccc2c1O[C@](C)([C@H](Cl)C(=O)OC)CC2=O 587458232 IBIVWWQOQISWKQ-ZBFHGGJFSA-N 326.776 2.849 50 1 EFGF NNC(=O)c1ccc2nc(-c3coc(C#Cc4ccccc4)c3)[nH]c2c1 586902019 SGAUOLIBOKOMEK-UHFFFAOYSA-N 342.358 2.826 50 1 EFGF N#C/C(=C\c1ccc(O)c(O)c1)C(=O)OC[C@@H]1O[C@@H]1c1ccccc1 103245116 XPCDIRNURBBELW-MLCXVWHNSA-N 337.331 2.688 50 1 EFGF CC1(C)Oc2cc3oc(=O)ccc3cc2[C@@H](O)[C@@H]1Br 40901317 QWYODJDEGYOHAS-OLZOCXBDSA-N 325.158 2.761 50 1 EFGF CN(C)CCSSCCNC(=O)Cc1ccc(F)cc1F 618008122 RXCKEQFBSWSXFD-UHFFFAOYSA-N 334.457 2.567 50 1 EFGF CC(=O)N[C@@H](CC(=O)Oc1ccc([N+](=O)[O-])cc1)c1ccccc1 7656814 RBECYPQLBCUOER-INIZCTEOSA-N 328.324 2.768 50 1 EFGF CN(C)CCSSCCNC(=O)CCCC(=O)C1CCCC1 618007761 HOFPDXVXHKEULN-UHFFFAOYSA-N 346.562 2.975 50 1 EFGF C[C@]12CC[C@H]3[C@H](CC[C@H]4[C@](O)(C#N)[C@H](O)CC[C@]34C)[C@@H]1CCC(=O)O2 169360691 FTVJLTOZPAYRAH-TYGQSRFQSA-N 347.455 2.550 50 1 EFGF O=C(N/N=C/c1cccc(Br)c1)c1ccc([N+](=O)[O-])o1 58511432 VAADGSVDSDUGJP-VGOFMYFVSA-N 338.117 2.714 50 1 EFGF CC(=O)O[C@]12c3ccccc3-c3ccccc3[C@@H]1[C@H]1C(=O)OC(=O)[C@H]12 299849033 UJAGUKNREZHAON-PDOICOKGSA-N 334.327 2.539 50 1 EFGF C[C@@H]1C[C@]12C(=O)OC(=O)C1=C(C(=O)C[C@@H]3C(C)(C)CCC[C@]13C)[C@H]2O 2356341991 CLLCVCXYAZNYNQ-DBLOMPIMSA-N 346.423 2.559 50 1 EFGF O=C1OC(=O)c2cc(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)ccc21 586907242 VGYSXMBSJUKOAX-UHFFFAOYSA-N 348.293 2.865 50 1 EFGF NNC(=O)c1ccc2[nH]c(-c3ccc(-c4nccs4)cc3)nc2c1 587023139 FZLFKKJHKOLTCZ-UHFFFAOYSA-N 335.392 2.957 50 1 EFGF O=C(CCCCc1ccccc1)N/N=C/c1ccc(O)c(O)c1O 1772608085 GZBASFGWINTOTQ-XDHOZWIPSA-N 328.368 2.667 50 1 EFGF CCc1ccc(C(=O)CCc2nc3ccc(C(=O)NN)cc3[nH]2)cc1 587957125 QDYPZNPVWVIAOZ-UHFFFAOYSA-N 336.395 2.544 50 1 EFGF C[C@@H](Oc1ccccc1)C(=O)NCCSSCCN(C)C 618008478 HINQPWCDTFOFLM-CYBMUJFWSA-N 328.503 2.513 50 1 EFGF Oc1nc(O)c2ccc(-c3ccc(OCCCCl)cc3O)nc2n1 587368871 QLGZXBWTGWOCFM-UHFFFAOYSA-N 347.758 2.816 50 1 EFGF CCc1ccc(NC(=O)[C@H](Cc2ccco2)NC(=O)CCl)cc1 35824793 QNOOTQAJIFJIDO-HNNXBMFYSA-N 334.803 2.747 50 1 EFGF COc1cc2c3c(c1)O[C@@H](c1cn(CCCl)nc1C)[C@@H](C2)C3=O 587420308 HZPJGRJTYNYQFO-YVEFUNNKSA-N 332.787 2.928 50 1 EFGF C=C(C)[C@@H]1CC=C(/C=N/NC(=O)c2cccc(C(=O)NO)c2)CC1 95808795 ROOQWMPNNXUVTD-HIPSJFSSSA-N 327.384 2.824 50 1 EFGF COc1ccc(Cl)cc1C#Cc1ccc(OC)c(C)c1C(=O)NN 587900475 QNVOSWJHOJGTRY-UHFFFAOYSA-N 344.798 2.669 50 1 EFGF COC(=O)CCCCCCC(=O)N/N=C/c1cccnc1Cl 95808706 ITWQWRINCRTQAR-WOJGMQOQSA-N 325.796 2.699 50 1 EFGF CC(=O)SCC[C@@]1(CCl)N[C@H](C(=O)O)Cc2cc(F)ccc21 962898010 OFFGIGSEIOQORQ-ZFWWWQNUSA-N 345.823 2.529 50 1 EFGF Cn1ccnc1/C(=N\NC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 5559719 FEGDUMUXGXOVIC-SILNSSARSA-N 349.350 2.511 50 3 EFGF CC1(C)C[C@H]([C@]23CC[C@](C)(CO)[C@H](O)[C@@H]2O3)CC[C@H]1Br 2356791798 IYPOREKUKVJZKD-GFHYGRAKSA-N 347.293 2.867 50 1 EFGF CC(C)(O)C=CC=C(C=O)[C@@H]1CC[C@@]2(C)[C@H]3CC[C@@]2(CO3)[C@@H]1C=O 2356476745 OXQMSDALZIMENC-WUOIFLIFSA-N 332.440 2.849 50 1 EFGF CN(/N=C/c1ccc(C(=O)O)cc1)C(=O)c1ccc(N(C)C)cc1 653687422 DNTHUYIPCCCPDW-XDHOZWIPSA-N 325.368 2.557 50 1 EFGF NNC(=O)c1ccc2nc(-c3ccc(Br)cc3F)[nH]c2c1 587143070 UXHFIODECOHHDC-UHFFFAOYSA-N 349.163 2.735 50 1 EFGF CN1CCN(c2ccc3nc(/C=C/CBr)[nH]c3c2)CC1 586974219 STQRHXFOSBHRQJ-NSCUHMNNSA-N 335.249 2.723 50 1 EFGF N[P@@](=O)(OCc1ccc([N+](=O)[O-])o1)N(CCCl)CCCl 27851428 QWLIQXBMVJMRMF-HXUWFJFHSA-N 346.107 2.551 50 1 EFGF CN(C)C(=O)/C(C#N)=C/c1ccc(Oc2cnc3[nH]ccc3n2)cc1 148942613 MQIPKMCXOXLLSA-UKTHLTGXSA-N 333.351 2.745 50 1 EFGF C#CC=CC[C@H](Cl)[C@@H]1C[C@H](O)[C@@H](OC(C)=O)C=C[C@H](CC)O1 2356793301 HDYZHQCPGQNLNH-WOYTXXSLSA-N 326.820 2.590 50 1 EFGF CCCCc1ccc(C(=O)N/N=C/c2ccc3c(c2)no[n+]3[O-])cc1 96928463 XHQAEBVYHOBWJX-XDHOZWIPSA-N 338.367 2.568 50 1 EFGF COc1ccc2c(c1)O[C@@H]1C=C(N)C(C#N)=C(N)[C@@H]1[C@H]2c1ccccc1 253667242 LTCAAXRZSDYWQZ-AABGKKOBSA-N 345.402 2.797 50 1 EFGF CCOc1cc(CC(C)=O)c(OCC)n1-c1ccnc(CCl)n1 587941420 VGAMVNQAHUVNEG-UHFFFAOYSA-N 337.807 2.935 50 1 EFGF CCc1ccccc1NC(=O)[C@@H](Cc1ccco1)NC(=O)CCl 35839896 ZSBZCYCBROUGIC-OAHLLOKOSA-N 334.803 2.747 50 1 EFGF COc1ccc2scc(CCNC(=O)CBr)c2c1 87722934 SIQLFHSOZQLXRJ-UHFFFAOYSA-N 328.231 2.964 50 1 EFGF CN(C)CCSSCCCNC(=O)c1cccc(N(C)C)c1 618007929 NNAFCFLQLSKXOE-UHFFFAOYSA-N 341.546 2.816 50 1 EFGF O=C(C[C@H]1CC(c2ccc(O)cc2)=NO1)Oc1ccc(OO)cc1 169699795 WIAJTNPCBJSGHL-OAHLLOKOSA-N 329.308 2.733 50 1 EFGF C#C/C=C\C[C@H]1O[C@@H]2C[C@H](Br)[C@@H](CC)O[C@H]1C[C@H]2OO 44265583 LKCIGYCRLQLMBC-NNNWXBAASA-N 345.233 2.913 50 1 EFGF COc1ccccc1-c1cn(CCSSCCN(C)C)nn1 618009853 LPEAQMAFXATXAX-UHFFFAOYSA-N 338.502 2.897 50 1 EFGF O=C(CNc1ccccc1N1CCCCC1)N/N=C/c1ccncc1 201289570 KBADKPIKADOWKH-HYARGMPZSA-N 337.427 2.634 50 1 EFGF N#CC1=C(N)OC2=C(C(=O)CN(c3ccccc3)C2)[C@@H]1c1ccccc1 84669272 CPUFPLQEEWPFPE-LJQANCHMSA-N 343.386 2.838 50 1 EFGF C=C(C)[C@@H](O)CC[C@H](C)[C@H]1CC[C@]2(C)[C@@H](O)CC=C(C=O)[C@]12C=O 238735384 FGQBUPFFWVREBP-KMHDYSICSA-N 334.456 2.831 50 1 EFGF CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(C(=O)O)c1 13586178 IUSQEISAHZZEEN-KRWDZBQOSA-N 335.363 2.669 50 1 EFGF CN(C)c1cc[n+](/C(C=C(C#N)C#N)=C(\O)c2ccc(C#N)cc2)cc1 209107091 VWODMHHUZMXACY-VXPUYCOJSA-O 342.382 2.769 50 1 EFGF COC(=O)/C(C#N)=C1\SCC(=O)N1c1ccc(C(C)(C)C)cc1 1857653872 OYRNDBHLKLIRJB-SQFISAMPSA-N 330.409 2.972 50 1 EFGF O=C(NN1C(=O)[C@@H](Cl)[C@H]1c1ccccc1Cl)c1ccncc1 103293931 HUIRTELBZXYOEO-QWHCGFSZSA-N 336.178 2.571 50 1 EFGF N#CC(=C\c1ccc(F)cc1)/C=C1\SC(=S)N(CC(=O)O)C1=O 103229565 OIBZVCUCRYWPFR-ZIIBAIFASA-N 348.380 2.561 50 1 EFGF C=C1C(=O)O[C@@H]2C=C(C)CC=CC(C=O)=C[C@H](OC(=O)C(C)C)[C@H]12 2356709974 DOLGCPLAINMHSM-IXDOHACOSA-N 330.380 2.684 50 1 EFGF O=C(CCl)N1CCCC[C@H]1C1(c2cc3ccccc3[nH]2)OCCO1 1858545 ZNHJMWXZCRMFGZ-INIZCTEOSA-N 348.830 2.987 50 1 EFGF C/C(=N\NC(=O)c1ccncc1)c1cccc(CN2CCCC2)c1O 103242075 YGEVVVKXABWLBW-KGENOOAVSA-N 338.411 2.537 50 1 EFGF N#CC1=C(N)OC2=C(C(=O)CN(c3ccccc3)C2)[C@H]1c1ccccc1 84669273 CPUFPLQEEWPFPE-IBGZPJMESA-N 343.386 2.838 50 1 EFGF CC1=NN(C(=O)CN2CCC(Cl)CC2)[C@@H](c2ccccc2O)C1 653729259 RNVXQTZFTYJBMP-OAHLLOKOSA-N 335.835 2.745 50 1 EFGF O=C(N/N=C/c1cccc(F)c1)c1c[nH]c2c(F)cccc2c1=O 653914354 GBYLTELRYCPAIC-ODCIPOBUSA-N 327.290 2.570 50 1 EFGF CC(C)(O)C=CC=C(C=O)[C@@H]1CC[C@@]2(C)[C@H]3CC[C@@]2(CO3)[C@H]1C=O 2356476742 OXQMSDALZIMENC-VBYALHQYSA-N 332.440 2.849 50 1 EFGF Cc1n[nH]c2c1[C@H](c1ccccc1Br)C(C#N)=C(N)O2 1029512 QLFYNNXVNUZXMI-GFCCVEGCSA-N 331.173 2.699 50 1 EFGF O=C(CCl)N1CCCC[C@@H]1C1(c2cc3ccccc3[nH]2)OCCO1 5848407 ZNHJMWXZCRMFGZ-MRXNPFEDSA-N 348.830 2.987 50 1 EFGF c1ccc(COC[C@@H]2OO[C@H](COCc3ccccc3)[C@H]3O[C@@H]23)cc1 43552963 QLSKCMMUNUTSHA-FGYAAKKASA-N 342.391 2.886 50 1 EFGF BrC/C=C\c1nc2ccc(CN3CCOCC3)cc2[nH]1 586974257 UDZMNUOFHHJDIJ-UPHRSURJSA-N 336.233 2.803 50 1 EFGF N#CC1=C(N)n2nc(N)c(Cc3ccccc3)c2N[C@@H]1c1cccs1 958026458 ILDZNUBXRUXLTQ-HNNXBMFYSA-N 348.435 2.935 50 1 EFGF NNC(=O)c1ccc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c2c1 587152057 JRAZWGNONIVIBL-WDEREUQCSA-N 328.322 2.716 50 1 EFGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cnc(O)[nH]1)CC2=O 587462396 YZIPPGCPLPKKPE-INIZCTEOSA-N 336.775 2.873 50 1 EFGF NNC(=O)c1cc(-c2c[nH]c3ccccc23)nn1Cc1ccc(F)cc1 73139099 XRYYNTZNUBTVRX-UHFFFAOYSA-N 349.369 2.822 50 1 EFGF CN(C)CCSSCCCNC(=O)Cc1ccc(F)cc1 618012459 GQRWMWFQNTVPKZ-UHFFFAOYSA-N 330.494 2.818 50 1 EFGF COC(=O)CCCCCCC(=O)N/N=C/c1ccccc1[N+](=O)[O-] 95808677 ZAJZZDRGWYLXPR-SFQUDFHCSA-N 335.360 2.559 50 1 EFGF CN(C)CCSSCCn1cc(COc2ccccc2)nn1 618009306 AYJMONLKTWQGEB-UHFFFAOYSA-N 338.502 2.800 50 1 EFGF O=C(CCl)N[C@H](Cc1ccco1)C(=O)Nc1cccc(Cl)c1 103283287 WJANTVGEGSDTKF-CYBMUJFWSA-N 341.194 2.838 50 1 EFGF Cc1ncsc1-c1c[nH]cc1-c1nc2ccc(C(=O)NN)cc2[nH]1 587027461 DLJQSYMGITVHDR-UHFFFAOYSA-N 338.396 2.593 50 1 EFGF N#Cc1cc(N(CCCl)CCCl)c([N+](=O)[O-])cc1[N+](=O)[O-] 5580277 HGQCWSSCAYOKJM-UHFFFAOYSA-N 333.131 2.659 50 1 EFGF CC1=NN(C(=O)CN2CCC(Cl)CC2)[C@H](c2ccccc2O)C1 653729258 RNVXQTZFTYJBMP-HNNXBMFYSA-N 335.835 2.745 50 1 EFGF Cc1[nH]c(C(=O)[C@H](C)Cl)c(C)c1-c1ccc2c(O)nc(O)nc2n1 587365048 ABPBLIFLDSJBSX-ZETCQYMHSA-N 346.774 2.858 50 1 EFGF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(c1ccc(B(O)O)cc1)C1CC1 963244400 WQUDKBJCDLSGCI-AOMKIAJQSA-N 349.283 2.677 50 1 EFGF C[C@@H](CO)C1=C2[C@H]3CC=C(C=O)CC(=O)[C@]3(C)CC[C@@]2(CO)CC1 72109982 XQEPJFHJUOQRQV-GSJUVLCZSA-N 332.440 2.588 50 1 EFGF COC(=O)c1ccc2nc([C@@H](Br)C(C)(C)OC)[nH]c2n1 586971251 PEYSECVOWLERGW-SECBINFHSA-N 342.193 2.606 50 1 EFGF CCCC[C@@H](/C=N/NC(=O)N1CCCC1)NC(=O)OC(C)(C)C 28570902 SPKPMLLMVWOADV-VLURKWGBSA-N 326.441 2.861 50 1 EFGF O=C(O)[C@H](O)[C@@H](O)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586886662 GLYUBQKHKCMMCR-HTQZYQBOSA-N 348.249 2.699 50 1 EFGF C#CC=CC[C@@H]1O[C@H]2C[C@H](Br)[C@H](CC)O[C@H]1C[C@H]2OO 2356378473 LKCIGYCRLQLMBC-WCBJTDJXSA-N 345.233 2.913 50 1 EFGF CCOc1cccc(/C=N/NC(=O)c2ccccc2O)c1OCC 95808632 HTJQNUZGPSKPON-XDHOZWIPSA-N 328.368 2.954 50 1 EFGF COC(=O)c1cc2[nH]c(/C=C/CBr)nc2cc1OC 586973659 MOKOCERNFIESND-ONEGZZNKSA-N 325.162 2.766 50 1 EFGF CCCc1c(O)ccc2c1O[C@](CC)(CNC(=O)CCl)CC2=O 587462302 XLWBTRHWCMLAMX-KRWDZBQOSA-N 339.819 2.814 50 1 EFGF CC1(C)OC(=O)[C@H]2C[C@@H](Br)[C@H](Br)C[C@H]21 103214024 QYTZAVAXUZOTHO-LXGUWJNJSA-N 326.028 2.875 50 1 EFGF CC[C@]1(C)C/C(=N\NC(N)=O)c2c(c(OC)c3occc3c2OC)O1 64446974 JNABOSSQNRRORM-OXNWSPOFSA-N 347.371 2.774 50 1 EFGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cnnn1C)CC2=O 587458811 FRPTUUKPPFBQGC-MRXNPFEDSA-N 335.791 2.573 50 1 EFGF CC(C)(Br)[C@@H](Br)CC[C@@]1([C@@H]2CO2)CO1 5715140 WCSBTSWCLLSCFB-NRPADANISA-N 328.044 2.871 50 1 EFGF CCC[C@@H](C[C@H](O)C(Br)Br)OC(C)=O 5838927 OJACLJLXKPGSGL-YUMQZZPRSA-N 332.032 2.585 50 1 EFGF biogenic COc1cc([C@@H]2Oc3c(O)cc(C=CC=O)cc3[C@@H]2CO)ccc1O 2356464426 JMCMHSCTPQLERA-KSSFIOAISA-N 342.347 2.528 50 1 EFGF CCN(CC)C(=S)SS(=O)(=O)c1ccc(NC(C)=O)cc1 1860813 ISFCOLWZYBBINM-UHFFFAOYSA-N 346.499 2.694 50 1 EFGF CN(C)CCSSCCNC(=O)c1cc(Cl)ccc1O 618008363 YXRRXHJWKKVWLN-UHFFFAOYSA-N 334.894 2.718 50 1 EFGF CCCCC/C=C/[C@@]1(C)O[C@@H]2OC(=O)N(C(=O)CCl)[C@@H]2CC1=O 29234219 UVBPOSGFTFNBKF-YDNXDWQPSA-N 343.807 2.783 50 1 EFGF CC1=C[C@@H]2[C@H](C(C)C)CC[C@@]34CO[C@@]5(OO3)C(=C(C1=O)[C@H](O)[C@H]5C)[C@@H]24 2356416406 SELAHBLHWQPORJ-GKCYSEQTSA-N 346.423 2.548 50 1 EFGF CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc([N+](=O)[O-])c1 34042658 PNHBABGLCCOXEK-QGZVFWFLSA-N 336.351 2.879 50 1 EFGF C[C@H](c1ccc(CBr)cc1)c1nc2c(O)nc(=N)[nH]c2[nH]1 586973727 NGQGAVASMXICLC-SSDOTTSWSA-N 348.204 2.518 50 1 EFGF CO[C@@]1(c2cccnc2-c2cnn(C)c2)C=C(C#N)C(=O)C(C)(C)C1 1857586367 PHNDKUXYYXVXMQ-IBGZPJMESA-N 336.395 2.773 50 1 EFGF CCCc1c(O)ccc2c1O[C@H]([C@H](Cl)C(=O)OCC)CC2=O 587458243 IJJNLHWDTSMYLS-KBPBESRZSA-N 326.776 2.849 50 1 EFGF COc1ccccc1CNNC(=O)COc1ccc(Cl)cc1C 1857550598 MCAGIUZVMNKDNH-UHFFFAOYSA-N 334.803 2.857 50 1 EFGF C=C1C(=O)O[C@@H]2C=C(C)CC=CC(C=O)=C[C@@H](OC(=O)C(C)C)[C@@H]12 2356709975 DOLGCPLAINMHSM-ZACQAIPSSA-N 330.380 2.684 50 1 EFGF COC1=COC(CCl)=C[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587420966 JXECXXUEWWEJDZ-SJKOYZFVSA-N 334.755 2.822 50 1 EFGF O=C(/C=C1/Nc2ccccc2NC1=O)N/N=C/c1ccc2c(c1)CCC2 1857593114 UPLYBZWKKPKGKB-YOASITJSSA-N 346.390 2.574 50 1 EFGF Cc1ccc2oc(=O)cc(CC(=O)N/N=C/c3ccc(F)cc3)c2c1 40380157 JEQYBNHCYXYLFY-SRZZPIQSSA-N 338.338 2.933 50 1 EFGF CN(C)CCSSCCCNC(=O)Cc1cccc(F)c1 618012454 GNOZOWCUIJVBBP-UHFFFAOYSA-N 330.494 2.818 50 1 EFGF CCN1C(=O)[C@@]23SS[C@@]1(C)C(=O)N2c1ccccc1C3(C)C 169347693 BRWNXIBYRFUVHD-HOTGVXAUSA-N 334.466 2.980 50 1 EFGF C[C@]12CC[C@@H]3[C@@H](CC[C@H]4[C@](O)(C#N)[C@H](O)CC[C@]34C)[C@@H]1CCC(=O)O2 169360690 FTVJLTOZPAYRAH-VYIJTEQCSA-N 347.455 2.550 50 1 EFGF O=C(CCl)N[C@@H](Cc1ccco1)C(=O)Nc1ccc(Cl)cc1 38266842 KCCDUGWPRVOETC-ZDUSSCGKSA-N 341.194 2.838 50 1 EFGF CC(C)(NC(=O)CCl)c1nc2ccc(Br)c(O)c2[nH]1 587007522 FAIWTZXVVCFMOO-UHFFFAOYSA-N 346.612 2.621 50 1 EFGF NC(=O)c1cc(C(=O)CBr)cn1C/C=C/c1ccccc1 1772604165 JPMCYBDFXFNVDB-QPJJXVBHSA-N 347.212 2.878 50 1 EFGF O=C(NN=C(c1ccccn1)c1ccccn1)c1ccc([N+](=O)[O-])cc1 28964385 VWAUWUAUZGWTSM-UHFFFAOYSA-N 347.334 2.567 50 1 EFGF CC(C)(C)[Si](C)(C)O[C@@]12C#C/C=C/C#C[C@H](O)C(=CCC1)C2=O 195286517 NXGUSROHOGYCLG-WENXUGBFSA-N 328.484 2.974 50 1 EFGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)([C@@H]1CCOC1)O2 587373563 MBYZZLMISFRGOD-BMIGLBTASA-N 340.217 2.713 50 1 EFGF C[C@@H]1C[C@](C)(O)C[C@H]2[C@@H]1[C@H](C=CC=CC(=O)O)[C@@H](C)[C@@H](O)[C@H]2Cl 2356718959 LQERRSZNVUJFFC-KLAWSKMTSA-N 342.863 2.831 50 1 EFGF Cc1ccc(-c2c(/C=C/C#N)n(CCCO)c3ncnc(N)c23)cc1 117466466 LPADWFDQODOOMS-DUXPYHPUSA-N 333.395 2.908 50 1 EFGF COc1ccccc1[C@]1(C)C[C@H]1c1nc2ccc(C(=O)NN)cc2[nH]1 587931250 RKSCZCVLHMNMGC-DJJJIMSYSA-N 336.395 2.620 50 1 EFGF Cc1n[nH]c2c1[C@@H](c1ccccc1Br)C(C#N)=C(N)O2 1029514 QLFYNNXVNUZXMI-LBPRGKRZSA-N 331.173 2.699 50 1 EFGF Oc1ccc2c(c1)[C@](CCl)(c1ccc3nc(O)oc3c1)NCC2 963340046 FJZYGAICHKCVRS-KRWDZBQOSA-N 330.771 2.867 50 1 EFGF COc1ccc(C(O)=C(C=C(C#N)C#N)[n+]2ccc(N(C)C)cc2)cc1 1857742448 GBVMYVPVBGFSGW-UHFFFAOYSA-O 347.398 2.906 50 1 EFGF C=C1C(=O)O[C@@H]2/C=C(\C)C[C@H](C(=O)[C@H](C)CC)/C=C(/C=O)C[C@@H](O)[C@@H]12 238757999 UXZOBEGUIPHMIO-OKUZTEGZSA-N 346.423 2.542 50 1 EFGF O=C1OC(=O)c2cc(-c3nc4cc(C(F)(F)F)ncc4[nH]3)ccc21 586908215 QVXSIVVUJLAKJC-UHFFFAOYSA-N 333.225 2.954 50 1 EFGF COC(C)(C)[C@@H](Br)c1nc2ccc(CCO)cc2[nH]1 586971262 PJJUDCYHAUNHOZ-LBPRGKRZSA-N 327.222 2.959 50 1 EFGF C[C@@H](Oc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1)C(=O)NN 587211393 QJBNRRPZNVQSPE-GFCCVEGCSA-N 333.391 2.758 50 1 EFGF S=C=Nc1ccc(CC2=NCCN2)cc1I 13601125 KKRFCILXYXIQGM-UHFFFAOYSA-N 343.193 2.570 50 1 EFGF CC1=C(c2ccc3nc([C@H](Cl)CCl)[nH]c3c2)NNC(=O)C1 587008455 OZKCBOLSRFTDJO-SECBINFHSA-N 325.199 2.837 50 1 EFGF COc1ccc(CCC(=O)NCCSSCCN)cc1Cl 618007969 VLIKTEZAOVCQBL-UHFFFAOYSA-N 348.921 2.738 50 1 EFGF Cn1nncc1[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587499460 TXJMAXGLIGOKLS-KRWDZBQOSA-N 331.803 2.793 50 1 EFGF Cc1ccc(/C=N\NC(=O)c2cc3nc(C)[nH]c3cc2[N+](=O)[O-])cc1 40939161 DPMGUJCIHBMNHN-NVMNQCDNSA-N 337.339 2.852 50 1 EFGF C[C@]12CC[C@@H]3[C@@H](CC[C@H]4[C@@](O)(C#N)[C@H](O)CC[C@]34C)[C@@H]1CCC(=O)O2 195140856 FTVJLTOZPAYRAH-ZPWPAGIISA-N 347.455 2.550 50 1 EFGF NNC(=O)c1ccc2nc(C3(c4ccccc4)CCC(=O)CC3)[nH]c2c1 587970269 DSJYAPDYYOAOJP-UHFFFAOYSA-N 348.406 2.596 50 1 EFGF CS(=O)(=O)c1ccc2nc(CCCCBr)[nH]c2c1 586972229 KISPJCYPZBXRQM-UHFFFAOYSA-N 331.235 2.684 50 1 EFGF CC(C)C1=CC(=O)[C@]2(C)CC[C@@]3(C)C(=O)CC(C=O)=CC[C@@H]3[C@]12O 28655067 GQLHFHBRWGRYNE-JOCLIGHLSA-N 330.424 2.793 50 1 EFGF C[C@H](NC(=O)c1ccccc1)C(=O)N(C)/N=N/c1ccc(C#N)cc1 40938193 KBGBVSSPNROZDV-NVMIEIDBSA-N 335.367 2.834 50 1 EFGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cncnc1)O2 587370332 AIRRSQXCQHYVOL-HNNXBMFYSA-N 348.200 2.623 50 1 EFGF O=C(O)CCCC(=O)O[C@]12CCCC[C@H]1[C@@H]1CCCC[C@@]1(O)OO2 43100890 YSTWBFAHJRSZBO-CLROSIBMSA-N 342.388 2.512 50 1 EFGF COc1cc(CN(C)CCCl)cc2[nH]c(=O)c3c(c12)NCCC3 118733887 DLHPEGPNZZBUOM-UHFFFAOYSA-N 335.835 2.565 50 1 EFGF CC(C)CN(NC(=O)OC(C)(C)C)c1nc(Cl)ncc1C#N 58569316 QQCWGPQAVITRGA-UHFFFAOYSA-N 325.800 2.904 50 1 EFGF O=C(N/N=C/c1c(O)cc(O)cc1O)c1cc2cc(Cl)ccc2[nH]1 1911579891 HZQTXFSFLDMOQH-CNHKJKLMSA-N 345.742 2.702 50 1 EFGF CCCc1c(O)ccc2c1O[C@](CCl)(CC(=O)OC)CC2=O 587457731 BWTBOVPZNCBLSF-INIZCTEOSA-N 326.776 2.851 50 1 EFGF CCOC(=O)c1ccc2nc(-c3ccc4c(c3)C(=O)OC4=O)[nH]c2c1 586906526 NHZPQTBPEYKNDG-UHFFFAOYSA-N 336.303 2.717 50 1 EFGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cnnn1C)CC2=O 587458810 FRPTUUKPPFBQGC-INIZCTEOSA-N 335.791 2.573 50 1 EFGF ClC[C@@H]1[C@@H]2C[C@H]3[C@@H](OC[C@@H]13)[C@H]2n1cnc2c(Cl)ncnc21 169306503 ONWNGCSKKPIYET-NEPKRHRBSA-N 325.199 2.541 50 1 EFGF Cc1cc(NC(=O)CCl)sc1-c1nnc2sc(S)nn12 28826940 WSFCFQPFYRDSIO-UHFFFAOYSA-N 345.862 2.689 50 1 EFGF CC(=O)c1c(C)[nH]c(C(=O)N/N=C/c2ccc(N(C)C)cc2)c1C 72176156 KZYXBWFFRWSZSC-VXLYETTFSA-N 326.400 2.664 50 1 EFGF CCS(=O)(=O)c1ccc2nc(/C=C\CBr)[nH]c2c1 586973649 MNUXAJBPXJVDTG-ARJAWSKDSA-N 329.219 2.765 50 1 EFGF C/C(=N/NC(=O)c1ccoc1C)c1ccc(N2CCOCC2)cc1 13111498 MQHLNGJGSPLUBU-UYRXBGFRSA-N 327.384 2.579 50 3 EFGF O=P(O)(O)[C@@H](Cl)c1cccc([C@H](Cl)P(=O)(O)O)c1 27563411 OLDRYXPYTAKXIQ-HTQZYQBOSA-N 335.016 2.517 50 1 EFGF COc1ccc(OC)c(Sc2ccccc2/C=N/NC(N)=O)c1 1000476 OMXKZFGBWSJBHM-VCHYOVAHSA-N 331.397 2.857 50 1 EFGF CC(=O)OC[C@@]1(C)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 1772579895 UHMQYFARBJHQPU-SGEMFXFFSA-N 326.389 2.554 50 1 EFGF NNC(=O)c1ccc2nc(-c3ncsc3-c3ccccc3)[nH]c2c1 587028353 TVMOGTIDKKMNIH-UHFFFAOYSA-N 335.392 2.957 50 1 EFGF O=C(O)c1cc(Br)cc2nc(CBr)[nH]c12 586971022 KLGRJENGMWTIGJ-UHFFFAOYSA-N 333.967 2.919 50 1 EFGF CC1(C)C[C@H]([C@]23CC[C@](C)(CO)[C@H](O)[C@H]2O3)CC[C@@H]1Br 2356791801 IYPOREKUKVJZKD-QIDIWCQUSA-N 347.293 2.867 50 1 EFGF O=C(N/N=C(/c1ccccc1)c1ccncc1)c1ccc2c(c1)OCO2 369695 CEAJMPBIBLQEOY-QOCHGBHMSA-N 345.358 2.993 50 3 EFGF CC(C)=CCC[C@@H]1COC(=O)[C@@H]2C(C=O)=CC[C@@H]3O[C@]3(C)C[C@H](O)[C@@H]12 2356563947 GKQSMVCMXQSIEG-IACFOHHFSA-N 348.439 2.576 50 1 EFGF C[C@H](Oc1ccccc1)C(=O)N(C)CCSSCCN(C)C 618009459 DMMYSXWOINKAIY-AWEZNQCLSA-N 342.530 2.855 50 1 EFGF COc1ccc(Cl)cc1C#C/C(C=O)=C(/Br)C(=O)O 587899154 ULHCRSFMTCXJBM-XFXZXTDPSA-N 343.560 2.633 50 1 EFGF Cn1nncc1[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587499462 TXJMAXGLIGOKLS-QGZVFWFLSA-N 331.803 2.793 50 1 EFGF CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2ccc3c(c2)OCO3)c1 5164104 OPOLKWVBRQDJAC-RGVLZGJSSA-N 339.351 2.528 50 3 EFGF CC(NNC(=O)CSc1nc2ccccc2o1)=C1C=CC(=O)C=C1 13125595 FYMOCKAKBWYOIJ-UHFFFAOYSA-N 341.392 2.510 50 3 EFGF CC(=O)OCC(=CC=O)[C@@H](CC=C(C)C#CC=C(C)C)OC(C)=O 2356675539 ZNJRJRLDPRAASN-LJQANCHMSA-N 332.396 2.913 50 1 EFGF COc1ccc2[nH]c(C)cc(=NNC(=O)c3ccc(F)cc3)c2c1 1857548964 DRVAZFUNEVUHRZ-UHFFFAOYSA-N 325.343 2.870 50 1 EFGF COc1cc2c3c(c1)O[C@](CBr)(C(F)F)[C@@H](C2)C3=O 587418740 AQMSLBMHIYRZBH-SDBXPKJASA-N 333.128 2.841 50 1 EFGF Cc1cccc2[nH]c(/C(C#N)=C/c3ccc(OCC(N)=O)cc3)nc12 72175655 YDIVAXYCJJGNOJ-NTEUORMPSA-N 332.363 2.800 50 1 EFGF CN(C)CCSSCCNC(=O)Nc1ccc(F)c(C#N)c1 618007625 IWLJRKSSSNBOSD-UHFFFAOYSA-N 342.465 2.762 50 1 EFGF C/C(=N\NC(=O)c1c(C)n(Cc2ccccc2)c[n+]1[O-])c1ccccc1 96922805 AVDXZZVMZJEWKG-RCCKNPSSSA-N 348.406 2.632 50 1 EFGF COc1cc([C@H]2Oc3c(O)cc(C=CC=O)cc3[C@H]2CO)ccc1O 2356464427 JMCMHSCTPQLERA-RDTXWAMCSA-N 342.347 2.528 50 1 EFGF CCOC(=O)/C=C\[C@@H]1CC[C@@H](CC(=O)OCc2ccccc2)OO1 72176685 VXKJMPZUBDFTAM-PTVNLRSFSA-N 334.368 2.718 50 1 EFGF COC(=O)c1ccc2nc(/C=C/CBr)[nH]c2c1OC 586972738 APTIUPVHZQNGMU-ONEGZZNKSA-N 325.162 2.766 50 1 EFGF CO[C@@H]1O[C@]2(C)CC[C@H]3CCC[C@@H](CCOC(=O)N(C)C)[C@@]31OO2 43834719 ZXIYUAYPVUCHCX-VUBIOHBQSA-N 343.420 2.691 50 1 EFGF COC(=O)c1ccnc2[nH]c([C@H](Br)C(C)(C)F)nc12 587086544 CSKOQXXKIHLSMZ-QMMMGPOBSA-N 330.157 2.929 50 1 EFGF O=C(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)C(Cl)Cl 64490712 WKKRSISNPYMOKM-UHFFFAOYSA-N 336.118 2.722 50 1 EFGF CCOC(=O)Cc1csc(SC/C(O)=C(/C#N)C(C)=N)n1 101903926 BTQZZFAKKUQETO-VNMWLJANSA-N 325.415 2.716 50 1 EFGF O=S1(=O)C[C@]2(c3ccccc3)CC[C@@](c3ccccc3)(C1)OO2 100498858 IGVSZUXDYWUIMS-ROUUACIJSA-N 330.405 2.948 50 1 EFGF CC(C)[C@@H](CCl)N(C)[C@H]1[C@H](O)C(C)(C)O[C@H]2C=CC(C#N)=C[C@@H]21 96902514 HOBXSQABSDKZBJ-NNXHMXCWSA-N 338.879 2.724 50 1 EFGF C=C(C)[C@@H](O)CC[C@H](C)[C@H]1CC[C@]2(C)[C@H](O)CC=C(C=O)[C@]12C=O 238732249 FGQBUPFFWVREBP-BQKWTINTSA-N 334.456 2.831 50 1 EFGF COc1cc2c3c(c1)O[C@@](CBr)(C(F)F)[C@@H](C2)C3=O 587418731 AQMSLBMHIYRZBH-ISVAXAHUSA-N 333.128 2.841 50 1 EFGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(O)c(O)c1)[C@@H](C2)C3=O 587418199 SPACCQDYAQJGKK-SGTLLEGYSA-N 346.766 2.988 50 1 EFGF Cc1cc(NNC(=O)c2ccc(C#N)cc2)c2cc3c(cc2n1)OCO3 84725416 XTKXFBOCEGEUMW-UHFFFAOYSA-N 346.346 2.901 50 1 EFGF Cc1ccc(C)c2c1NC(=O)/C2=N\NC(=O)[C@H](C)c1ccc(O)cc1 72181214 OXYYWGXWOCCXSB-GFCCVEGCSA-N 337.379 2.585 50 1 EFGF O=C(CN[C@@H]1C[C@H]1c1ccc(F)c(F)c1)N/N=C/c1cccs1 1857760605 KTPMOOUQJAWXDP-TUHFMUSMSA-N 335.379 2.622 50 1 EFGF CC1(C)C[C@H](CC(=O)NNc2nc(-c3ccccc3)cs2)C(=O)O1 376785 UNQBWQZEXOUAQX-LBPRGKRZSA-N 345.424 2.985 50 3 EFGF C=C(CC[C@@H]1CCC2=C(C(=O)O[C@@H]2O)C1(C)C)C[C@@H](O)C=C(C)C=O 2356751729 KLTJWBBZPJDJIL-RKVPGOIHSA-N 348.439 2.827 50 1 EFGF CC(=O)c1c(C)[nH]c(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c1C 72176922 HCYHXQJOBKLLJO-CAOOACKPSA-N 328.328 2.506 50 1 EFGF CCOC(=O)CC[C@]12CC[C@H]3[C@H](C)CC[C@@H]4CCO[C@H](O1)[C@]34OO2 43328077 MPXASXHUBOKDCE-KSIIWRSPSA-N 340.416 2.946 50 1 EFGF O=C(N/N=C/c1ccccc1F)c1c[nH]c2c(F)cccc2c1=O 653900916 BZPNOINSAZDIKY-ODCIPOBUSA-N 327.290 2.570 50 1 EFGF CC(C)[C@@H](Br)[C@@H]1N[C@H](C(=O)O)Cc2cccc(F)c21 962915298 VDXTXRPNGVZLHB-CYZMBNFOSA-N 330.197 2.885 50 1 EFGF CC(C=O)=CCC[C@](C)(O)[C@@H](O)C=CC(C)=CC(=O)c1ccc[nH]1 2356475254 UUEGKBXDGVAPLG-OALUTQOASA-N 331.412 2.737 50 1 EFGF CCCc1c(O)ccc2c1O[C@@](C)(CNC(=O)[C@@H](C)Cl)CC2=O 587458457 JJDKXKPDCXRKLT-BMLIUANNSA-N 339.819 2.812 50 1 EFGF CCCCOC(=O)/C(C#N)=C1\SCC(=O)N1c1ccccc1F 1857652688 ZCKWTISCZDDWMJ-PTNGSMBKSA-N 334.372 2.984 50 1 EFGF C[P@@](=O)(c1ccccc1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12 59425504 VNOSREICZPKZRF-JOCHJYFZSA-N 332.727 2.864 50 1 EFGF Cc1ccc2oc(=O)n(CC(=O)N/N=C/c3ccc(Cl)cc3)c2c1 28868907 YPSBZTRNKMNYEK-DJKKODMXSA-N 343.770 2.707 50 1 EFGF C/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 13152532 GWLZVVUTFQVENI-YBEGLDIGSA-N 328.284 2.657 50 1 EFGF CCCN1[C@H](C)Cc2ccccc2[C@@]1(c1ccc(B(O)O)cc1)C1CC1 963244587 WQUDKBJCDLSGCI-ZHRRBRCNSA-N 349.283 2.677 50 1 EFGF O=C(NNC(=S)NC12CC3CC(CC(C3)C1)C2)c1ccc(F)cc1 28654834 NHANFOUSFOEPOJ-UHFFFAOYSA-N 347.459 2.903 50 1 EFGF NCCSSCCCNC(=O)c1cc(-c2ccccc2)[nH]n1 618007542 CJRIBMYZFCUPAP-UHFFFAOYSA-N 336.486 2.537 50 1 EFGF Cc1nc(C(=O)NNC(=O)c2cc(Cl)cc(Cl)c2)cs1 1857646332 VLBQLPWOCNJEMF-UHFFFAOYSA-N 330.196 2.833 50 1 EFGF Cc1ccc(O)c(C(=O)NCCCSSCCN(C)C)c1 618007926 NKLKMSYSERIRRJ-UHFFFAOYSA-N 328.503 2.764 50 1 EFGF CC(=O)O[C@]12c3ccccc3-c3ccccc3[C@@H]1[C@H]1C(=O)OC(=O)[C@@H]12 103132717 UJAGUKNREZHAON-WOCWXWTJSA-N 334.327 2.539 50 1 EFGF COc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)CBr)CC3 13777747 KLIVSNNQCRWUPQ-SECBINFHSA-N 337.217 2.545 50 1 EFGF CCCc1c(O)ccc2c1O[C@](C)(CNC(=O)[C@@H](C)Cl)CC2=O 587458465 JJDKXKPDCXRKLT-QGHHPUGFSA-N 339.819 2.812 50 1 EFGF C=CCN1C(=O)[C@]2(CC=C)SS[C@@]1(CC=C)C(=O)N2CC=C 1857604789 OROARTIRCAFEMY-HOTGVXAUSA-N 336.482 2.969 50 1 EFGF CC(C)(CCl)NC(=O)c1cccc(C(=O)NC(C)(C)CCl)n1 1631704 JLXUILFMLOLRDG-UHFFFAOYSA-N 346.258 2.576 50 1 EFGF COc1ccc([C@H]2C[C@H]2C(=O)NNc2nncc3ccccc23)cc1 49067265 ZDKBPSRSJLMORT-IAGOWNOFSA-N 334.379 2.885 50 1 EFGF COc1cc2c3c(c1)O[C@H](c1cn(CCCl)nc1C)[C@@H](C2)C3=O 587420307 HZPJGRJTYNYQFO-SJCJKPOMSA-N 332.787 2.928 50 1 EFGF ClC[C@H]1[C@@H]2C[C@@H]3[C@H]1CO[C@H]3[C@H]2n1cnc2c(Cl)ncnc21 169306501 ONWNGCSKKPIYET-KSNKSXCASA-N 325.199 2.541 50 1 EFGF N[C@@]1(C(=O)O)C[C@H]2C[C@@H]1c1cc(N(CCCl)CCCl)ccc12 58520153 YRQXMOLKTOHTOE-HQQWDMGQSA-N 343.254 2.727 50 1 EFGF O=C(CCCCC(=O)N/N=C/c1ccc(-c2ccccc2)cc1)NO 95809795 JFEZCHSJOLHFSK-XSFVSMFZSA-N 339.395 2.870 50 1 EFGF CC(C)c1cccc(C(=O)NNS(=O)(=O)c2ccccc2F)c1 1857608031 DHQAEDZRCQLYSR-UHFFFAOYSA-N 336.388 2.572 50 1 EFGF CC(C)C(=O)CC[C@@H]1C(C=O)=C[C@H](O)[C@@H]2C(C)(C)[C@@H](O)CC[C@@]12C 2356450056 GZAWIMMRLPNFME-MVSUVFOUSA-N 336.472 2.911 50 1 EFGF Cc1ccc(OCC(=O)NCCCSSCCN(C)C)cc1 618012476 ILBWWWZAZIBGGK-UHFFFAOYSA-N 342.530 2.823 50 1 EFGF CC[C@@H](C)n1cc(Cl)c(-c2nc3cc(C(=O)NN)ccc3[nH]2)n1 587078859 CJQPPBSAVPEZRX-MRVPVSSYSA-N 332.795 2.654 50 1 EFGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cnc(O)[nH]1)CC2=O 587462398 YZIPPGCPLPKKPE-MRXNPFEDSA-N 336.775 2.873 50 1 EFGF CC(=O)SCC[C@]1(CCl)N[C@H](C(=O)O)Cc2cc(F)ccc21 962898007 OFFGIGSEIOQORQ-DZGCQCFKSA-N 345.823 2.529 50 1 EFGF COc1ccc(NNC(=O)C(=O)c2c[nH]c3ccc(OC)cc23)cc1 26386902 BWHDAEFJEPLRQP-UHFFFAOYSA-N 339.351 2.511 50 1 EFGF O=C(CCCl)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O 299823097 JZJAJJVQAPVMCB-UHFFFAOYSA-N 329.739 2.735 50 1 EFGF CC(C)=CCC[C@@H]1COC(=O)[C@@H]2C(C=O)=CC[C@@H]3O[C@]3(C)C[C@H](O)[C@H]12 2356563946 GKQSMVCMXQSIEG-DGYXETDDSA-N 348.439 2.576 50 1 EFGF N#C/C(=C\c1cc(O)c(O)c([N+](=O)[O-])c1)C(=O)OCc1ccccc1 1857546115 RBBRZDXLYUXHJO-AWNIVKPZSA-N 340.291 2.656 50 1 EFGF CN(C)/C=C(\C#N)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587572133 NZLZFWYXSLEDBJ-URWYZWATSA-N 336.347 2.691 50 1 EFGF CCN1CC[C@@]2(OC)OC(N)=C(C#N)[C@@H](c3ccc(Cl)cc3)[C@@H]2C1 71282359 PSTAABGTXHIIBC-LZLYRXPVSA-N 347.846 2.832 50 1 EFGF CN(C)CCSSCCN(C)C(=O)c1ccc2c[nH]nc2c1 618009800 JUCZPHBXXWTIHC-UHFFFAOYSA-N 338.502 2.578 50 1 EFGF CC1(C)CC2=C(O1)c1ccccc1/C(=N/NC(=O)c1ccncc1)C2=O 1857561480 RVTPNDMYPXGXEY-JWGURIENSA-N 347.374 2.708 50 1 EFGF CCOC(=O)C1=C(C)/C(=C(\C)NNC(=O)c2cccs2)N=C1C 34107153 FKMOJLSKYZOXSB-KAMYIIQDSA-N 333.413 2.568 50 3 EFGF COC(C)(C)[C@@H](Br)c1nc2ccc(C(=N)N)cc2[nH]1 586971327 PYHFIBJGLCQUCT-JTQLQIEISA-N 325.210 2.708 50 1 EFGF COC(=O)c1cc2nc([C@H](Br)C(C)(C)F)[nH]c2cn1 587086901 IJFOKINIKOOZEI-VIFPVBQESA-N 330.157 2.929 50 1 EFGF N[P@@](=O)(Oc1ccc([N+](=O)[O-])cc1)N(CCCl)CCCl 1563098 RNYWBVCOEMSHJP-HXUWFJFHSA-N 342.119 2.820 50 1 EFGF N[C@]1(C(=O)O)C[C@H]2C[C@@H]1c1cc(N(CCCl)CCCl)ccc12 49777346 YRQXMOLKTOHTOE-QSGSBWRWSA-N 343.254 2.727 50 1 EFGF O=C1c2cc(Cl)ccc2N=C(NCCCl)[C@H]2CSCN12 5822917 GRTRBFAWGBVBRM-LLVKDONJSA-N 330.240 2.727 50 1 EFGF N#C/C(=C\c1cnc(N2CCOCC2)nc1)c1nc2ccccc2s1 207188979 RZFUAGQERGJJSJ-NTEUORMPSA-N 349.419 2.987 50 1 EFGF CCC[C@@H](C[C@@H](O)C(Br)Br)OC(C)=O 5838962 OJACLJLXKPGSGL-JGVFFNPUSA-N 332.032 2.585 50 1 EFGF biogenic CN1CCC[C@H](OC(=O)c2cc3cc(CCl)ccc3oc2=O)C1 1660787 IEBIFFJTOVLWNM-ZDUSSCGKSA-N 335.787 2.783 50 1 EFGF C/C1=C\[C@@H](O)C/C(C=O)=C/C[C@@H]2CCC3=C(C(=O)[C@@H]1[C@H]3O)C2(C)C 238742449 AXUHRYNGIPZCMR-DNLMZOLDSA-N 330.424 2.505 50 1 EFGF CC1(C)CC2=C(O1)/C(=N\NC(=O)c1ccncc1)c1ccccc1C2=O 1857592560 DEEJIIJLPSYHMD-JWGURIENSA-N 347.374 2.865 50 1 EFGF Cc1nc(C(=O)NNC(=O)c2cccc(C(F)(F)F)c2)cs1 1857645708 TZSGWVVWTHXNED-UHFFFAOYSA-N 329.303 2.545 50 1 EFGF COc1cc(OC)c2c(=O)oc([C@@H](Cl)[C@@H](O)CCl)cc2c1 1857631464 PXZNVKGVHPZSHR-ZANVPECISA-N 333.167 2.690 50 1 EFGF O=C(O)[C@H](O)[C@H](O)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586886667 GLYUBQKHKCMMCR-JGVFFNPUSA-N 348.249 2.699 50 1 EFGF COc1cc2c3c(c1)O[C@@](CCl)(c1cc([N+](=O)[O-])c[nH]1)[C@@H](C2)C3=O 587422717 RQKGDONLXNUCEY-MEDUHNTESA-N 348.742 2.813 50 1 EFGF CN1C(=O)C[C@@H]2CN[C@]3(C=C[C@H](Br)C3)c3cccc1c32 963033159 PZKVJDHLGFCAGX-GDLVEWKHSA-N 333.229 2.659 50 1 EFGF CCCN1CC[C@@]2(OC)OC(N)=C(C#N)[C@@H](c3ccccc3)[C@@H]2C1 299820565 HTDJOEDNADQZLV-YQVWRLOYSA-N 327.428 2.569 50 1 EFGF C=C1C(=O)O[C@H]2C/C(C=O)=C\CC/C(COC(=O)C(C)C)=C/C[C@H]12 155833200 NNMJTYULHBUMPC-DCSJKTKLSA-N 332.396 2.909 50 1 EFGF C=C(CC[C@@H]1CCC2=C(C(=O)O[C@@H]2O)C1(C)C)C[C@H](O)/C=C(\C)C=O 238777642 KLTJWBBZPJDJIL-RMEYRIQTSA-N 348.439 2.827 50 1 EFGF CCCCNC(=O)c1cccc(NC(=O)[C@H](C)Br)c1 28954462 LJIHCXMYMRFGAP-JTQLQIEISA-N 327.222 2.938 50 1 EFGF C=C1C(=O)O[C@@H]2C=C(C)CC=CC(C=O)=C[C@H](OC(=O)C(C)C)[C@@H]12 2356709973 DOLGCPLAINMHSM-IKGGRYGDSA-N 330.380 2.684 50 1 EFGF O[C@@H](CBr)C[n+]1cccc2cc(Br)ccc21 38142952 BFDXZPHRHIKBLR-NSHDSACASA-N 346.042 2.646 50 1 EFGF CC(C=O)=C1C(=O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@H](O)[C@]1(C)C(=O)O 2356383518 PDWLHNPWJPOTFR-XORXTNINSA-N 348.439 2.759 50 1 EFGF C/C(CC(=O)Nc1ccc(F)cc1)=N\NC(=O)COc1ccccc1 100547859 GXXHKFQDWGHTHH-FYJGNVAPSA-N 343.358 2.725 50 3 EFGF Cc1ccc(/C=C(/C#N)c2nc3ccc(-n4cnnn4)cc3[nH]2)cc1 587187829 LJFARLAOXRWYMC-ZSOIEALJSA-N 327.351 2.911 50 1 EFGF CC(C=C[C@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2[C@@H](O)[C@@H](O)[C@@]1(C)O)=CC=O 2356764014 XWVGZNYHKHGOKZ-VFPCOIFRSA-N 336.472 2.623 50 1 EFGF CCCc1c(O)ccc2c1O[C@@](CBr)(C(=O)O)CC2=O 587456574 RJORJEXZDBDRIN-AWEZNQCLSA-N 343.173 2.528 50 1 EFGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC[C@@H](Br)C1=O)O2 587373445 QTBIQUORIBCQKA-MEBBXXQBSA-N 338.201 2.798 50 1 EFGF Cc1ccc(OCC(=O)N(C)CCSSCCN(C)C)cc1 618009407 CPVYMGLVQOQFQR-UHFFFAOYSA-N 342.530 2.775 50 1 EFGF CC(=O)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 136271405 WNQITGRHOWFLEA-LMWFVWJRSA-N 326.389 2.758 50 1 EFGF COc1cc([C@@H]2Oc3ccc(C=CC=O)cc3[C@@H]2CO)ccc1O 2356595976 ZEIRMWGDKRFTOI-KXBFYZLASA-N 326.348 2.823 50 1 EFGF CCOC(=O)CC[C@@]12CC[C@H]3[C@H](C)CC[C@H]4CCO[C@@H](O1)[C@@]43OO2 195235882 MPXASXHUBOKDCE-IAIKDVJASA-N 340.416 2.946 50 1 EFGF O=C(Cl)/C=C\C(=O)c1c(CO)oc2cc(Br)cnc12 587273589 MDJULCFTBSKSGL-UPHRSURJSA-N 344.548 2.587 50 1 EFGF O=P(O)(O)[C@@H](Cl)c1ccc([C@@H](Cl)P(=O)(O)O)cc1 27558961 UXQVJVQZIOBDOV-OCAPTIKFSA-N 335.016 2.517 50 1 EFGF CC(C)(O)/C=C\C=C(\C=O)[C@H]1CC[C@]2(C)[C@@H]3CC[C@]2(CO3)[C@@H]1C=O 238769027 OXQMSDALZIMENC-VHSZOOOISA-N 332.440 2.849 50 1 EFGF COc1ccc2c(c1)c(CC(=O)NN)c(Cl)n2Cc1ccccc1 6185 UKMWYEPIADWDGD-UHFFFAOYSA-N 343.814 2.884 50 1 EFGF C[C@H](CO)C1=C2[C@@H]3C[C@H]4O[C@@](O)(C=C4C=O)[C@]3(C)CC[C@]2(C)CC1 2356728454 KDCRRIJQFGCYJS-WKCJJHKESA-N 332.440 2.744 50 1 EFGF O=C(N/N=C\C=C\c1ccccc1)c1ccc(N2CCOCC2)cc1 45317031 JMAZIEQHZQIOPC-LGCJVJRSSA-N 335.407 2.952 50 1 EFGF O=C(O)CCCCCC(=O)N/N=C/c1cc(Br)cs1 95808748 OWJXUHUHDQBCCB-VGOFMYFVSA-N 347.234 2.996 50 1 EFGF Cc1ccc([C@H]2[C@@H](Cl)C(=O)N2n2cnc3ccccc3c2=O)cc1 1632112 NVUKHYBENWSVTK-CVEARBPZSA-N 339.782 2.532 50 1 EFGF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H](O)[C@]4(O)C#N)[C@@H]1CCC(=O)O2 139906568 FTVJLTOZPAYRAH-KLKQSVAXSA-N 347.455 2.550 50 1 EFGF COc1ccc(C(=O)N(C)/N=C/c2ccc3c(c2)OCO3)cc1OC 95552299 YVBGRDSTNOEJOY-VXLYETTFSA-N 342.351 2.539 50 1 EFGF OC[C@H](O)[C@@H](O)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586886866 CGQOFYSMXJJKSB-DTWKUNHWSA-N 334.266 2.607 50 1 EFGF CC(C)=CCC[C@@H]1COC(=O)[C@H]2/C(C=O)=C\C[C@@H]3O[C@@]3(C)C[C@H](O)[C@H]12 140590349 GKQSMVCMXQSIEG-UHJLJLPTSA-N 348.439 2.576 50 1 EFGF CCN(CC)CN(C)c1ccc(/C=N/NC(=O)c2ccncc2)cc1 169344642 PRPQMPBUVVUPJH-KGENOOAVSA-N 339.443 2.581 50 1 EFGF CC(=O)c1ccccc1C(=O)NCCCSSCCN(C)C 618008260 WJHHGFDUTDXXIM-UHFFFAOYSA-N 340.514 2.952 50 1 EFGF COC(C)(C)[C@@H](Br)c1nc2cc([N+](=O)[O-])cnc2[nH]1 586971776 YPUVEFPIFPJXIO-QMMMGPOBSA-N 329.154 2.727 50 1 EFGF C[C@]12CC[C@@]3(O)[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(O)C#N 2356546874 UHCRRDZEBITSMZ-UHBLESBASA-N 329.440 2.888 50 1 EFGF C[C@H](C(=O)O)C1=C2[C@@H]3C[C@H]4O[C@@](O)(C=C4C=O)[C@]3(C)CC[C@]2(C)CC1 2356571226 LRIPDOQBOGYERA-WWTKTDSVSA-N 346.423 2.837 50 1 EFGF CCOc1ccccc1C(=O)NCCSSCCN(C)C 618007911 MVLMJNHXTOVCGG-UHFFFAOYSA-N 328.503 2.758 50 1 EFGF COc1cc([C@H]2Oc3ccc(/C=C/C=O)cc3[C@@H]2CO)ccc1O 95909520 ZEIRMWGDKRFTOI-HMSPERNYSA-N 326.348 2.823 50 1 EFGF biogenic,in-vitro Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@@H](Br)C1=O)O2 587373442 QTBIQUORIBCQKA-BMIGLBTASA-N 338.201 2.798 50 1 EFGF CC(C)[C@@H](CCl)N(C)[C@@H]1[C@@H]2C=C(C#N)C=C[C@@H]2OC(C)(C)[C@H]1O 169362321 HOBXSQABSDKZBJ-UUAJXVIYSA-N 338.879 2.724 50 1 EFGF O=C(C(Br)Br)[C@@H](Cl)Br 85637123 XKPSFUWXVLJUDU-GSVOUGTGSA-N 329.213 2.631 50 1 EFGF C/C(=N\NC(=O)CSc1ccccn1)c1ccc([N+](=O)[O-])cc1 13109146 OFUPRXPIQWKZAD-GZTJUZNOSA-N 330.369 2.622 50 1 EFGF C[C@H](Oc1cc(Cl)ccc1Cl)C(=O)N/N=C\c1ccnn1C 13132947 ZDJULLXLSXXFBP-NRMZQKLJSA-N 341.198 2.645 50 3 EFGF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C=O)C[C@@H](OC(=O)C(C)C)[C@@H]12 2356780544 YWCXXASGSVDIPE-ZACQAIPSSA-N 332.396 2.908 50 1 EFGF O=C(NO)c1cccc(C(=O)N/N=C/c2ccc3ccccc3c2)c1 95809704 SOXPPEQTPJMIKC-UDWIEESQSA-N 333.347 2.723 50 1 EFGF CN(C)C(=O)[C@@H](Cl)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587494782 ACLKKTOPJCBVOA-AEFFLSMTSA-N 335.831 2.985 50 1 EFGF COC1=COC(CCl)=C[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587420961 JXECXXUEWWEJDZ-PXAZEXFGSA-N 334.755 2.822 50 1 EFGF C#CC=CC[C@@H]1O[C@H]2C[C@H](Br)[C@@H](CC)O[C@H]1C[C@@H]2OO 2356378470 LKCIGYCRLQLMBC-IWTMDLJTSA-N 345.233 2.913 50 1 EFGF CN(C)CCSSCCN(C)C(=O)c1cccnc1Cl 618010463 XSYRAVYHZNXVBV-UHFFFAOYSA-N 333.910 2.750 50 1 EFGF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2ccc(C(=O)NN)cc2[nH]1 587931251 RKSCZCVLHMNMGC-ORAYPTAESA-N 336.395 2.620 50 1 EFGF C[C@H](CO)[C@]12CC[C@]3(C)CC[C@]4(C)C(=O)CC(C=O)=CC[C@H]4[C@@]31O2 2356413398 BEDOXLKSBWDRGE-MSJWQLFYSA-N 332.440 2.827 50 1 EFGF CCOCCOC(=O)/C(C#N)=C(\NCc1cc(C(C)C)no1)C(C)C 103220920 WWRYZQVDOOCQFB-ICFOKQHNSA-N 349.431 2.901 50 1 EFGF C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(O)C#N 2356733997 JHNKMSMCNITKIH-QTQWFBPBSA-N 327.424 2.952 50 1 EFGF COC(=O)c1ccc(/C=N/N(C)C(=O)c2ccc(N(C)C)cc2)cc1 653691202 BQSXABGGWNLMJF-DEDYPNTBSA-N 339.395 2.645 50 1 EFGF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@]2(CCC[C@H](Br)C2)N1 962922298 PTSNXDWRIAQOGO-VZJVUDMVSA-N 342.208 2.957 50 1 EFGF NNC(=O)c1ccc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c2c1 587140266 WKJJLBQNQANXLH-UHFFFAOYSA-N 349.709 2.534 50 1 EFGF COc1cc2c3c(c1)O[C@H](c1cnn(CCCl)c1C)[C@@H](C2)C3=O 587419534 DUYGDPFKLQBKGZ-SJCJKPOMSA-N 332.787 2.928 50 1 EFGF O=C(N/N=C/c1ccc(CO)c2ccccc12)c1ccc(O)c(F)c1 13492686 SJEQPXGXMCTCKR-UFFVCSGVSA-N 338.338 2.941 50 1 EFGF COC(C)(C)[C@H](Br)c1nc2cccc(C(N)=O)c2[nH]1 586971013 KANHWMZUFRXGDH-SNVBAGLBSA-N 326.194 2.523 50 1 EFGF CN(C)/C=C(\C#N)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587572132 NZLZFWYXSLEDBJ-SBGWCXSDSA-N 336.347 2.691 50 1 EFGF COc1ccc(Br)c(C(=O)N/N=C\c2ccccc2O)c1 103185120 WEOGFHJUNACYTM-MFOYZWKCSA-N 349.184 2.927 50 1 EFGF C[C@@H](Br)C(=O)Nc1cccc(NC(=O)NCCCl)c1 49888688 AMMJJENXYBKDTN-MRVPVSSYSA-N 348.628 2.769 50 1 EFGF COC(=O)c1ccc2nc(/C=C\CBr)[nH]c2c1OC 586972737 APTIUPVHZQNGMU-ARJAWSKDSA-N 325.162 2.766 50 1 EFGF CC(C)(Br)[C@H](Br)CC[C@]1([C@@H]2CO2)CO1 1638735 WCSBTSWCLLSCFB-KHQFGBGNSA-N 328.044 2.871 50 1 EFGF CN(C)CCCOc1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1 103294757 ILBVJYWFDPUSCH-KGENOOAVSA-N 343.402 2.920 50 1 EFGF CC(C)CNC(=O)C(C)(C)c1ccc(S(=O)(=O)/C=C/C#N)cc1 73295821 GWSVQTKHUVTEQU-VZUCSPMQSA-N 334.441 2.547 50 1 EFGF C=C(C=O)[C@@H]1CC[C@@H]2[C@H](C1)C(=O)[C@H](O)[C@@H]1C(C)(C)[C@H](O)CC[C@@]12C 2356528099 PYTXCJKULGAJQT-UISZWFMKSA-N 334.456 2.521 50 1 EFGF CC(C)=CCC[C@@H]1COC(=O)[C@@H]2C(C=O)=CC[C@@H]3O[C@]3(C)C[C@@H](O)[C@H]12 2356563945 GKQSMVCMXQSIEG-AFFULRRLSA-N 348.439 2.576 50 1 EFGF CN(C)CCSSCCCNC(=O)c1cc(C2CC2)no1 618017264 KEGXUWWVTFZGEX-UHFFFAOYSA-N 329.491 2.615 50 1 EFGF Cc1c(C(=O)N/N=C\c2cccc(O)c2O)oc2cccc(O)c12 1911584013 BULZUHFHJHEUFN-LSCVHKIXSA-N 326.308 2.622 50 1 EFGF COc1ccc2c(c1O)[C@@]13C=C(C#N)CC[C@@]1(OC)[C@H](C2)N(C)CC3 101047220 QWWYRGKGEGISFR-PWIZWCRZSA-N 340.423 2.528 50 1 EFGF COc1ccc(-c2nc3nc(O)nc(O)c3cc2CCCl)cc1 587368295 GHTGBUDPEIYUHZ-UHFFFAOYSA-N 331.759 2.893 50 1 EFGF CCOC(=O)NNc1[nH]c(-c2ccc(OC)cc2)cc1C(=O)OC 40915058 PWKRISZPJOHKMM-UHFFFAOYSA-N 333.344 2.550 50 1 EFGF C[C@@H]1C[C@@]12C(=O)OC(=O)C1=C(C(=O)C[C@H]3C(C)(C)CCC[C@]13C)[C@H]2O 299850634 CLLCVCXYAZNYNQ-PRKZSUAESA-N 346.423 2.559 50 1 EFGF COc1cc(/C=N/NC(=O)OCc2ccccc2)cc(OC)c1O 53293516 FANSCVFJSLXLIS-VCHYOVAHSA-N 330.340 2.670 50 1 EFGF O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(N2CCOCC2)cc1 45289025 SNTSUALXKHBTED-DEDYPNTBSA-N 343.814 2.941 50 1 EFGF Cc1nc2ccccc2nc1CCC(=O)N/N=C/c1ccc(O)cc1 1857770846 ZOEWGESWRQTAEY-UDWIEESQSA-N 334.379 2.727 50 1 EFGF CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc3c(c2)no[n+]3[O-])cc1 96928462 SEHAXKHFLLEZCI-YBFXNURJSA-N 338.367 2.523 50 1 EFGF COc1ccc(C(=O)N(C)/N=C/c2ccc(OC)c(OC)c2)cc1 95555937 OXMXRHWOUVHGDC-XDHOZWIPSA-N 328.368 2.819 50 1 EFGF CO[P@](=O)(c1ccccc1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12 59425474 NBMJEMWDMSGPCM-HSZRJFAPSA-N 348.726 2.796 50 1 EFGF CC1=Nn2c(nnc2-c2sc(NC(=O)CCl)cc2C)SC1 28826932 ZGUKJPFTXCBWEJ-UHFFFAOYSA-N 341.849 2.822 50 1 EFGF O=C(Nc1cccc(S(=O)(=O)C(F)(F)F)c1)C(Cl)Cl 64746546 BPAUWBFNXKOGRE-UHFFFAOYSA-N 336.118 2.722 50 1 EFGF C/C=C(/C=O)[C@@H]1C[C@H]2c3c(c4cc(O)ccc4n3[C@@H](O)C1)CCN2C 5132610 AIENSZLGKYKXFJ-JXFBPGGLSA-N 340.423 2.922 50 1 EFGF O=C(O)CCCC(=O)O[C@@]12CCCC[C@@H]1[C@@H]1CCCC[C@@]1(O)OO2 169314191 YSTWBFAHJRSZBO-NSNWQYSKSA-N 342.388 2.512 50 1 EFGF O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccccc2)CC1 49762070 HNIDATBYDXCKRE-UHFFFAOYSA-N 341.367 2.911 50 1 EFGF in-vivo CC1=C(C=O)[C@H]2[C@H](C1)C(=O)C(CO)=CC[C@]2(C)C/C=C/C(C)(C)O 32302165 GCEMWHSWGVIYRO-AYDXDVSTSA-N 332.440 2.753 50 1 EFGF biogenic,in-vitro CC(C)(C)c1ccc2c(c1)O[C@H](C(=O)N/N=C/c1ccc[nH]1)CO2 550347 CISVJPXUQJEUAP-UWSDUSPXSA-N 327.384 2.602 50 1 EFGF CCC(=O)N[C@@H](c1ccco1)[C@H]1C[C@@H](Cl)[C@@H]2CCCN=C2C1=O 169725007 KOWRUFLNZMXZHN-FUTJPDQTSA-N 336.819 2.894 50 1 EFGF O=C(NN/C=C1\C=Nc2ccccc21)NN/C=C1\C=Nc2ccccc21 8642149 PCRMQHJWEFVDEI-PHEQNACWSA-N 344.378 2.809 50 3 EFGF O=C(NN1C(=O)[C@H](Cl)[C@H]1c1ccccc1Cl)c1ccncc1 103293936 HUIRTELBZXYOEO-CHWSQXEVSA-N 336.178 2.571 50 1 EFGF NCCSSCCCNC(=O)c1cc(-c2ccccc2)ncn1 618007944 UYJCQVCHAVWOFP-UHFFFAOYSA-N 348.497 2.604 50 1 EFGF CCS(=O)(=O)c1ccc2nc(/C=C/CBr)[nH]c2c1 586973655 MNUXAJBPXJVDTG-ONEGZZNKSA-N 329.219 2.765 50 1 EFGF Cc1cc2c(cc1F)[C@@](C)([C@H](NC(=O)CCl)C(C)C)NCC2 962294325 BVAYVWWXLAOTJL-SJORKVTESA-N 326.843 2.875 50 1 EFGF COc1cc(C(CC(OC)OC)=C(C#N)C#N)cc(OC)c1OC 1633676 VYFCFUABADUEOI-UHFFFAOYSA-N 332.356 2.522 50 1 EFGF CCOC(=O)[C@H](Cl)c1[nH]c2ccc(S(C)(=O)=O)cc2c1C 587650189 YZRBYMPKPSQGQL-GFCCVEGCSA-N 329.805 2.723 50 1 EFGF CO[C@@H]1CC(C=O)=CC=C2C3=C([C@H](C)CO)CC[C@]3(CO)CC[C@]21C 2356721234 YNWVJYUTUMCIQZ-CVDLLHPYSA-N 346.467 2.954 50 1 EFGF CNc1ccc(C(=O)NCCCSSCCN(C)C)cc1 618007860 KVMQNMWXVWPPHK-UHFFFAOYSA-N 327.519 2.791 50 1 EFGF NC(=O)N1CCc2sccc2[C@]12C(C=O)=COc1cc(F)ccc12 962699353 JCLRRGCMCNZUDW-QGZVFWFLSA-N 344.367 2.543 50 1 EFGF C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)C[C@@H](Br)C(=O)[C@@H](C)[C@H]21 34093527 GYRJMKLTOVDJSG-MELONOIFSA-N 329.234 2.953 50 1 EFGF Cc1ccccc1N1CCN(Cc2oc(CCl)cc(=O)c2O)CC1 96922701 NARTYFAMLITIGN-UHFFFAOYSA-N 348.830 2.715 50 1 EFGF Cc1ccc(/C=C(/C#N)c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1 587187644 KHGHENSTSSLHLZ-LCYFTJDESA-N 338.392 2.583 50 1 EFGF COc1cc2c3c(c1)O[C@@H](c1cc(C(=O)CCl)c[nH]1)[C@@H](C2)C3=O 587423857 WPIXIOSYJQDSFR-APPDUMDISA-N 331.755 2.934 50 1 EFGF C#CC=CC[C@H](Cl)[C@@H]1C[C@H](OC(C)=O)[C@H](O)C=C[C@@H](CC)O1 2356801766 QUFYLYOBGYXOHP-ALYAQQCSSA-N 326.820 2.590 50 1 EFGF C[C@H](c1ccc(CBr)cc1)c1nc2c[nH]c(=N)[nH]c-2n1 586972960 DGECAGIWFATNIY-MRVPVSSYSA-N 332.205 2.764 50 1 EFGF CC(=O)Nc1ccc(NC(=O)N/N=C/c2ccc(N(C)C)cc2)cc1 28352041 GCRZRSVZOAFOKG-XDHOZWIPSA-N 339.399 2.867 50 1 EFGF CC(C)[C@H](Br)C(=O)Nc1nnc(C(F)(F)F)s1 103279065 WWYHTTNCALBQFC-BYPYZUCNSA-N 332.145 2.915 50 1 EFGF Cc1ccc(S(=O)(=O)/N=C(/C[C@H](C)Br)N(C)C)cc1 103184878 OQTKWIZZCBDOCC-YLCNQMKUSA-N 347.278 2.817 50 1 EFGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C(=O)O)co1)O2 587370762 BOHNLNCMKSDLHX-INIZCTEOSA-N 335.743 2.968 50 1 EFGF C[C@H](CO)C1=C2[C@@H]3C[C@H]4O[C@@](O)(C=C4C=O)[C@@]3(C)CC[C@@]2(C)CC1 2356728452 KDCRRIJQFGCYJS-MOSDKIRPSA-N 332.440 2.744 50 1 EFGF CCOC(=O)/C=C/[C@@H]1CC[C@@H](CC(=O)OCc2ccccc2)OO1 72140994 VXKJMPZUBDFTAM-ISEXYEMMSA-N 334.368 2.718 50 1 EFGF Cc1cc2c(cc1F)[C@](C)([C@@H](NC(=O)CCl)C(C)C)NCC2 962294322 BVAYVWWXLAOTJL-DLBZAZTESA-N 326.843 2.875 50 1 EFGF CC(=O)O[C@]12c3ccccc3-c3ccccc3[C@@H]1[C@@H]1C(=O)OC(=O)[C@H]12 299849036 UJAGUKNREZHAON-PFRQMTDMSA-N 334.327 2.539 50 1 EFGF COc1cccc(C(=O)N/N=C(/CCC(=O)O)c2ccccc2)c1 6794035 TXVICVKZBCGZMF-MNDPQUGUSA-N 326.352 2.694 50 3 EFGF C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(/C=O)C[C@@H](OC(=O)C(C)C)[C@@H]12 105835329 YWCXXASGSVDIPE-GLWAKWNESA-N 332.396 2.908 50 1 EFGF CCOC(=O)[C@H](Cl)[C@@]1(CC)CC(=O)c2cc(C)cc(N)c2O1 587374283 VQJGZTYLMOGAOC-GOEBONIOSA-N 325.792 2.862 50 1 EFGF Oc1ccc2c(c1)[C@@](CCl)(c1ccc3nc(O)oc3c1)NCC2 963340047 FJZYGAICHKCVRS-QGZVFWFLSA-N 330.771 2.867 50 1 EFGF COc1cc2c3c(cc(O)c2cc1C)C(C)(C)C(=O)OC(=O)[C@H]3OC 205097350 RATGNXKNNDUBOM-INIZCTEOSA-N 344.363 2.911 50 1 EFGF C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(O)C#N 2356432209 SWAJIWWXRRYRDI-HHBCTJDESA-N 329.440 2.744 50 1 EFGF CN1C(C)(C)[C@H](Br)C(=O)[C@H](Br)C1(C)C 73330285 VAZIMIWGDSXAHP-OCAPTIKFSA-N 327.060 2.585 50 1 EFGF O=C(N/N=C\c1ccc2cccnc2c1)c1nc(O)c2ccccc2n1 33737636 ZCCCURVFSCDMQQ-NHDPSOOVSA-N 343.346 2.648 50 1 EFGF O=C(NN/C=C1\C=Nc2ccc(Br)cc21)c1ccncc1 13126417 MTUITTMTBIZOLC-PKNBQFBNSA-N 343.184 2.836 50 3 EFGF Cc1ccc2nc(C)n(NC(=O)/C(C#N)=C/c3ccccc3)c(=O)c2c1 84711920 QDZHHAYQRDRRAR-LFIBNONCSA-N 344.374 2.691 50 1 EFGF O=C(O)CCCC(=O)O[C@]12CCCC[C@@H]1[C@H]1CCCC[C@@]1(O)OO2 253635465 YSTWBFAHJRSZBO-KFZJALRRSA-N 342.388 2.512 50 1 EFGF O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cc([N+](=O)[O-])ccc1Cl 43015286 PVPPPJCOAQERHR-LZYBPNLTSA-N 348.702 2.920 50 1 EFGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C(N)=O)oc1C)O2 587373819 TUAYIQPKUGNGSB-KRWDZBQOSA-N 348.786 2.677 50 1 EFGF O=C(CCCN1C(=O)c2ccccc2C1=O)N/N=C\C1=CCCCC1 28654802 UJIOTKJEYDNWJU-MOSHPQCFSA-N 339.395 2.665 50 1 EFGF CC1(C)O[C@H]([C@](C)(O)/C=C/Br)C[C@@H]1Br 14637027 UIVSTSHQZIFSSM-PXGKHDNCSA-N 328.044 2.977 50 1 EFGF O=C(N/N=C/c1ccc(O)cc1)c1[nH]nc2c1Cc1cc(F)ccc1-2 1857575887 STNRLKQODLXYLL-AWQFTUOYSA-N 336.326 2.590 50 1 EFGF COc1ccc2c(c1)O[C@H]1C=C(N)C(C#N)=C(N)[C@H]1[C@@H]2c1ccccc1 101033706 LTCAAXRZSDYWQZ-XUVXKRRUSA-N 345.402 2.797 50 1 EFGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)CCC[C@H]1Br 587371947 IMAYWQFMNCRIOG-DOMZBBRYSA-N 338.201 2.798 50 1 EFGF CN(C)CCSSCCNC(=O)c1c(N)cccc1Cl 198572939 CSETYMKHDNONJI-UHFFFAOYSA-N 333.910 2.595 50 1 EFGF CC(C)(C)[Si](C)(C)O[C@@]12C#C/C=C\C#C[C@H](O)C(=CCC1)C2=O 195286509 NXGUSROHOGYCLG-FQEKARNZSA-N 328.484 2.974 50 1 EFGF Cc1ccc(/C=C(/C#N)c2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc1 587187899 MRUXUEPUYXCBBD-JYRVWZFOSA-N 338.392 2.583 50 1 EFGF O=C(N/N=C/c1cc(Cl)ccc1O)c1ccc2c(c1)OCCCO2 1772626621 KSHVDNRDMYKPNA-VXLYETTFSA-N 346.770 2.971 50 1 EFGF N#CC1=C(N)Oc2[nH]nc(-c3ccc4c(c3)OCO4)c2[C@@H]1c1ccco1 69915 XWOZQGPSZLLGGY-AWEZNQCLSA-N 348.318 2.617 50 1 EFGF C[C@H](CO)[C@]12CC[C@]3(C)CC[C@]4(C)C(=O)CC(C=O)=CC[C@@H]4[C@@]31O2 2356413399 BEDOXLKSBWDRGE-OMVSSWMMSA-N 332.440 2.827 50 1 EFGF CCc1cccc(NC(=O)[C@@H](Cc2ccco2)NC(=O)CCl)c1 35965513 XERFTUWNUMHJJU-OAHLLOKOSA-N 334.803 2.747 50 1 EFGF CC(=O)Nc1ccc(NC(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1 28338792 AJSSLSNXZKBTIJ-LICLKQGHSA-N 341.327 2.709 50 1 EFGF CN1C(C)(C)[C@@H](Br)C(=O)[C@H](Br)C1(C)C 73330288 VAZIMIWGDSXAHP-YUMQZZPRSA-N 327.060 2.585 50 1 EFGF COc1cc2c3c(c1)O[C@@](CCl)(c1c[nH]c(C=O)c1)[C@@H](C2)C3=O 587424264 YPQBTMRZJUDQNC-GUYCJALGSA-N 331.755 2.718 50 1 EFGF O=C1OC(=O)c2cc(-c3nc4cc(Br)ncc4[nH]3)ccc21 586907690 NUZWZFHQYOKGPC-UHFFFAOYSA-N 344.124 2.698 50 1 EFGF CO[C@@H]1O[C@]2(C)CC[C@H]3CCC[C@@H](CCOC(=O)N(C)C)[C@]31OO2 101266614 ZXIYUAYPVUCHCX-SSOQLKFYSA-N 343.420 2.691 50 1 EFGF COC(=O)CCCCCCC(=O)N/N=C/c1ccc2c(c1)CCO2 95809809 LZJZFTRVIKAAFU-CPNJWEJPSA-N 332.400 2.585 50 1 EFGF C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)C(C=O)=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 2356581557 AMVODTGMYSRMNP-ZYJDFEQASA-N 344.451 2.585 50 1 EFGF CN(C)CCSSCCCNC(=O)CNc1ccccc1 618007654 DKUKMJBIINBJDM-UHFFFAOYSA-N 327.519 2.548 50 1 EFGF NNC(=O)c1ccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2c1 587021969 RUFKNHOMPPZYBC-UHFFFAOYSA-N 349.419 2.881 50 1 EFGF COc1ccc(N2C(=O)/C(=N/c3ccccc3O)[C@H](Cl)C2=O)cc1 169688836 DJTIPIBLVVKSPG-PTJLRZKYSA-N 344.754 2.654 50 1 EFGF O=C1OC(=O)/C(=C\Nc2cnc3ccccc3c2)C=C1Br 169304748 YHQUETSEEPZQTI-YFHOEESVSA-N 345.152 2.893 50 1 EFGF NNC(=O)c1ccc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c1 587152054 JRAZWGNONIVIBL-GHMZBOCLSA-N 328.322 2.716 50 1 EFGF CNC(=S)NNC(=O)[C@H](C)c1ccc(-c2ccccc2)c(F)c1 103200022 JASBWDMAYQNFJH-LLVKDONJSA-N 331.416 2.721 50 1 EFGF CC(=O)c1ccccc1C(=O)NCCSSCCN(C)C 618008189 UDNIQMAVCKCHRF-UHFFFAOYSA-N 326.487 2.562 50 1 EFGF O=C(O)CCCCCC(=O)N/N=C/c1ccc(Br)s1 95809746 VELKDKPENBDUPY-RIYZIHGNSA-N 347.234 2.996 50 1 EFGF O=C1OC(=O)c2cc(C(=O)c3coc4cc([N+](=O)[O-])ccc34)ccc21 587280019 YMMOPLCNBLODJF-UHFFFAOYSA-N 337.243 2.883 50 1 EFGF CCOc1cc(-c2cccc(F)c2)nn1-c1cccc(C(=O)NN)c1 587871140 BIKWWSYYRYUMPI-UHFFFAOYSA-N 340.358 2.681 50 1 EFGF CC1(C)Oc2nc3ccccc3c(O)c2C[C@@H]1SS(=O)(=O)O 28250988 NDKJUBPMNXDYQI-NSHDSACASA-N 341.410 2.559 50 1 EFGF COc1ccc2[nH]c(C(=O)NCCCSSCCN)cc2c1 618007685 LBYXYSHFARGUJK-UHFFFAOYSA-N 339.486 2.637 50 1 EFGF O=C(NNC(=S)Nc1ccc(F)cc1)c1cc2ccccc2[nH]1 8184239 CCVDFNNXXUKERN-UHFFFAOYSA-N 328.372 2.938 50 1 EFGF Cn1/c(=N/NC(=O)C23CC4CC(CC(C4)C2)C3)oc2ccccc21 53199556 PZHFNGCPUBXBQI-UZYVYHOESA-N 325.412 2.920 50 1 EFGF C/C(Cc1ccccc1)=N/NC(=O)CNC(=O)/C=C\c1ccccc1 15952653 KTNJYRDINHJXNN-OUUGTHBISA-N 335.407 2.551 50 1 EFGF COc1cc2c3c(c1)O[C@](CCl)(c1cc(C(=O)O)co1)[C@@H](C2)C3=O 587421876 NNXBCFMNYKMPIS-GTNSWQLSSA-N 348.738 2.868 50 1 EFGF Cc1n[nH]c(C(=O)NN=Cc2ccccc2Cl)c1N=NN(C)C 261184793 XCBMEIMBCIKJPR-UHFFFAOYSA-N 333.783 2.696 50 1 EFGF COc1ccc(/C(O)=C(\C=C(C#N)C#N)[n+]2ccc(N(C)C)cc2)cc1 209109334 GBVMYVPVBGFSGW-VXPUYCOJSA-O 347.398 2.906 50 1 EFGF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H](NC(=O)CCl)C(C)C)O2 587371506 GCKFSEOTAOINFW-DLBZAZTESA-N 338.835 2.681 50 1 EFGF Cc1ccc(-c2nc(-c3nc4ccc(C(=O)NN)cc4[nH]3)cs2)o1 587016010 DWJNKUFWTSKJGI-UHFFFAOYSA-N 339.380 2.858 50 1 EFGF CCN1N=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H](Cl)C1=O 587503169 XHDUKXNKBIOZQW-SJLPKXTDSA-N 346.814 2.725 50 1 EFGF CCOC(=O)CC[C@]1(CCl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587418292 TYVZJECNPMHSQR-SJKOYZFVSA-N 338.787 2.764 50 1 EFGF CCOC(=O)CC[C@@]12CC[C@H]3[C@H](C)CC[C@@H]4CCO[C@H](O1)[C@]34OO2 100861281 MPXASXHUBOKDCE-MWVHIBPXSA-N 340.416 2.946 50 1 EFGF O=C(NN1C(=O)[C@@H](Cl)[C@H]1c1ccc(Cl)cc1)c1ccncc1 103296999 GLUMHYBIXUSZOS-QWHCGFSZSA-N 336.178 2.571 50 1 EFGF CC1(C)C(=O)C(C(=O)O)=C[C@]2(C)C3=CC(=O)C(C#N)=C[C@]3(C)CC[C@@H]12 71319357 MQLXXOWRXFQTDW-GKCIPKSASA-N 339.391 2.988 50 1 EFGF O=C(N/N=C/c1ccc(O)cc1Br)c1ccccc1O 95808648 LIOUDQNYKRCJJI-LZYBPNLTSA-N 335.157 2.624 50 1 EFGF CCCc1c(O)ccc2c1O[C@](C)([C@@H](Cl)C(=O)N(C)C)CC2=O 587459262 NPQAZTSWMGAMQJ-RDJZCZTQSA-N 339.819 2.764 50 1 EFGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cnn(C)n1)CC2=O 587458299 ACPNZPCSFBJYRX-MRXNPFEDSA-N 335.791 2.573 50 1 EFGF C=C(CC[C@@H]1CCC2=C(C(=O)O[C@@H]2O)C1(C)C)C[C@H](O)C=C(C)C=O 2356751731 KLTJWBBZPJDJIL-VKJFTORMSA-N 348.439 2.827 50 1 EFGF Cc1ccccc1C(=O)N(NC(=O)c1snnc1C)C(C)(C)C 103215821 VEULLNGLYBHRRP-UHFFFAOYSA-N 332.429 2.741 50 1 EFGF CCNC(=O)/C(C#N)=C/c1c(C)n(CCCN(C)C)c2ccccc12 40429446 YQKXGACPOKHIMN-DTQAZKPQSA-N 338.455 2.945 50 1 EFGF CN(C)CCSSCCn1cc(-c2ccc(CC#N)cc2)nn1 618010173 RAFSAVIDERRSJS-UHFFFAOYSA-N 347.513 2.954 50 1 EFGF CCc1sc(C(=O)NN)cc1C#Cc1cc(Cl)ccc1OC 587918738 HBIANDBINNZGIT-UHFFFAOYSA-N 334.828 2.976 50 1 EFGF COc1ccccc1CCOC(=O)/C(C#N)=C/c1ccc(O)c(O)c1 13821502 WTQFKFWJPRXJSN-XNTDXEJSSA-N 339.347 2.799 50 1 EFGF O=C1OC(=O)c2cc(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)ccc21 586906949 HUYVXWBAEOKKCO-UHFFFAOYSA-N 344.229 2.862 50 1 EFGF COc1ccc2c(c1)O[C@H]1C=C(N)C(C#N)=C(N)[C@H]1[C@H]2c1ccccc1 195330728 LTCAAXRZSDYWQZ-SLFFLAALSA-N 345.402 2.797 50 1 EFGF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13O[C@]12C(=O)C=C(C=O)[C@@H]3[C@H]1CO1 238756706 NVKLCCHKTIWBOX-FZDMHURUSA-N 330.424 2.844 50 1 EFGF CCn1c(C)nc2cc(C(=O)NN/C(C)=C3\C=CC=CC3=O)ccc21 103919760 RNSOQGSEPXQETR-NTCAYCPXSA-N 336.395 2.568 50 3 EFGF C[C@H](C(=O)O)C1=C2[C@@H]3C[C@H]4O[C@@](O)(C=C4C=O)[C@@]3(C)CC[C@@]2(C)CC1 2356571225 LRIPDOQBOGYERA-KWSLEZRFSA-N 346.423 2.837 50 1 EFGF Cc1ccsc1/C=N/NC(=O)c1ccc(OCCN(C)C)cc1 1772589936 UJGXREWNJNIRPX-LDADJPATSA-N 331.441 2.761 50 1 EFGF Cc1cc2c(cc1Cl)SC1=N[C@H](CCl)CN1S2(=O)=O 35010347 RXIWKFPXAFXIQL-SSDOTTSWSA-N 337.253 2.722 50 1 EFGF O=C1OC(=O)c2cc(-c3nc4cc(Br)cnc4[nH]3)ccc21 586906636 DRUNKVYEUBLZMJ-UHFFFAOYSA-N 344.124 2.698 50 1 EFGF O=C(N/N=C/c1ccc(Cl)cc1)c1snnc1C(F)(F)F 103181518 HMNZLLWIOWIOIF-FZSIALSZSA-N 334.710 2.974 50 1 EFGF CCc1ccc(/C=N\NC(=O)COc2ccc3c(c2)OCO3)cc1 64251935 SXHQGYXZFLMCCX-GRSHGNNSSA-N 326.352 2.507 50 1 EFGF O=C(CCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc[nH]1 95809045 QWVOGRJWGAPPBR-DEDYPNTBSA-N 342.399 2.760 50 1 EFGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccncn1)O2 587375425 SDHRTFLZKIAYLC-HNNXBMFYSA-N 348.200 2.623 50 1 EFGF CN(C)CCSSCCNC(=O)CNc1ccc(Cl)cc1 618008659 JFNKDTTWOZIYRU-UHFFFAOYSA-N 347.937 2.811 50 1 EFGF C[C@H]1C[C@]12C(=O)OC(=O)C1=C(C(=O)C[C@H]3C(C)(C)CCC[C@]13C)[C@H]2O 299850633 CLLCVCXYAZNYNQ-IKHNLJGASA-N 346.423 2.559 50 1 EFGF C=C1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)C[C@@H](Br)C(=O)[C@@H](C)[C@H]21 34182777 KPZLRBLESJUMQO-CEMRCVNMSA-N 327.218 2.873 50 1 EFGF O=C(N/N=C\c1ccc([N+](=O)[O-])o1)c1cn2ccc3ccccc3c2n1 13110325 YGERYYKGJZEUGN-NVMNQCDNSA-N 349.306 2.753 50 1 EFGF N#C/C(C(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1)=C(/O)C1CC1 100785127 NWTUSPOOVUSXJC-GBJNBNQZSA-N 344.314 2.998 50 1 EFGF CCOC(=O)/C(C#N)=C/[C@H](C(=O)c1ccccc1)[n+]1ccc(C)cc1 95596810 JNQJHJLEMVQKAG-VJSYINPZSA-N 335.383 2.720 50 1 EFGF COc1cc(Cl)cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)c1O 298443 RYOLLVLXNYCIPC-CNHKJKLMSA-N 348.742 2.547 50 1 EFGF Cc1c(C(=O)N/N=C\c2cc(O)ccc2O)oc2cccc(O)c12 1911584158 MWNQBJLBNCMANU-LSCVHKIXSA-N 326.308 2.622 50 1 EFGF Cc1ccc(CC(=O)NCCCSSCCN(C)C)cc1 618012743 ZWFVXKFZNRROEV-UHFFFAOYSA-N 326.531 2.987 50 1 EFGF C[C@@H]1C(=O)C(C#N)=C[C@]2(c3cccc(C(=O)O)c3)c3n[nH]cc3CC[C@@H]12 1857592635 PQYHRHMVFNEJQT-XITNVPRNSA-N 347.374 2.625 50 1 EFGF O=C1C=CC(=CNNC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)C=C1 33849583 IVWOCXXPEVQVCF-UHFFFAOYSA-N 340.770 2.544 50 3 EFGF COc1cc([C@H]2Oc3c(O)cc(C=CC=O)cc3[C@@H]2CO)ccc1O 2356464424 JMCMHSCTPQLERA-KBXCAEBGSA-N 342.347 2.528 50 1 EFGF N#C/C(=C\c1ccc(O)c(O)c1)C(=O)OC[C@H]1O[C@@H]1c1ccccc1 103245120 XPCDIRNURBBELW-OUJLILQFSA-N 337.331 2.688 50 1 EFGF ClC[C@@H]1[C@@H]2CO[C@@H]3[C@H]2C[C@H]1[C@@H]3n1cnc2c(Cl)ncnc21 253683570 ONWNGCSKKPIYET-FARSXFODSA-N 325.199 2.541 50 1 EFGF N=C(CCl)NCC#CC(=O)NCc1cccc(-c2ccccc2)c1 1857597090 TVWVXTPUYKCYDY-UHFFFAOYSA-N 339.826 2.779 50 1 EFGF CCOC(=O)[C@@H](Cl)[C@@]1(CC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587416555 BBPGUYJXMRJIQY-JGFGOQIWSA-N 338.787 2.762 50 1 EFGF NNC(=O)c1ccc2nc(-c3cccc(F)c3C(F)(F)F)[nH]c2c1 587096677 AGCOKLJIXPEJIB-UHFFFAOYSA-N 338.264 2.991 50 1 EFGF C[C@H](Cl)C(=O)Nc1ccccc1-c1ccc2c(O)nc(O)nc2n1 587367104 SNZUPWLDIXLEBN-QMMMGPOBSA-N 344.758 2.669 50 1 EFGF CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc3no[n+]([O-])c3c2)cc1 1772648842 VKEXVYRDSKHYNB-YBFXNURJSA-N 338.367 2.523 50 1 EFGF Cc1ccc(C(=O)NN(C(=O)c2snnc2C)C(C)(C)C)cc1 103214521 XQLGSPZFXCBQCT-UHFFFAOYSA-N 332.429 2.741 50 1 EFGF O=C(CSc1ccc2ccccc2n1)NN/C=C1\C=CC=CC1=O 13126908 OTCIVPSDYUNLOV-SDNWHVSQSA-N 337.404 2.527 50 3 EFGF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H](NC(=O)CCl)C(C)C)O2 587371507 GCKFSEOTAOINFW-IAGOWNOFSA-N 338.835 2.681 50 1 EFGF COC(C)(C)[C@@H](Br)c1nc2ccc(C(N)=O)cc2[nH]1 586970782 GQYDURHITWZKLJ-JTQLQIEISA-N 326.194 2.523 50 1 EFGF CC(C)NC(=O)c1ccc(Cl)cc1C(=O)N/N=C/c1ccco1 103204125 QCYIMTIBTDAEOA-GIJQJNRQSA-N 333.775 2.835 50 1 EFGF CC1(C)CCC[C@@]2(C)c3c(oc4c(B(O)O)c(O)c(O)cc34)CC[C@@H]12 217488717 FKFXIIKVWQCPFN-ORAYPTAESA-N 344.216 2.554 50 1 EFGF O=C(N/N=C/c1cc(O)c(O)cc1O)c1cc2cc(Cl)ccc2[nH]1 1911578299 MTKYCXWUJSYIMK-CNHKJKLMSA-N 345.742 2.702 50 1 EFGF C[C@@H](c1ccc(CBr)cc1)c1nc2c(O)nc(O)nc2[nH]1 586972754 AXSBNNDWAUKDSD-ZETCQYMHSA-N 349.188 2.811 50 1 EFGF C#CC=CCCC(=O)C[C@@H]1O[C@H](CC)[C@@H](Br)C[C@@H]1O 2356658486 UGJHRFRUTHOGOT-XQLPTFJDSA-N 329.234 2.607 50 1 EFGF C[C@@H]1C[C@](C)(O)C[C@@H]2[C@H](Cl)[C@H](O)[C@H](C)[C@H](C=CC=CC(=O)O)[C@@H]21 2356718962 LQERRSZNVUJFFC-WWTQNXLOSA-N 342.863 2.831 50 1 EFGF COc1ccc(/C(O)=C(/C=C(C#N)C#N)[n+]2ccc(N(C)C)cc2)cc1 96933738 GBVMYVPVBGFSGW-FMQUCBEESA-O 347.398 2.906 50 1 EFGF COc1ccc(Cl)cc1C#C/C(C(=O)O)=C(/Br)C=O 587899196 WHMQXTGIOZEOKH-KHPPLWFESA-N 343.560 2.633 50 1 EFGF NNC(=O)c1ccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2c1 587079305 CGBJDIIUXXDJQF-UHFFFAOYSA-N 339.786 2.823 50 1 EFGF COc1cccc(/C=C(/C#N)C(=O)NC[C@@](C)(O)c2ccsc2)c1 75093434 HAFFQKBTZQIXNP-DVNIYVAHSA-N 342.420 2.688 50 1 EFGF COc1ccc([C@@H]2C[C@H]2C(=O)NNc2nncc3ccccc23)cc1 49067263 ZDKBPSRSJLMORT-DLBZAZTESA-N 334.379 2.885 50 1 EFGF COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N+](C)(CCl)C2 169587717 VJTWSHJPQYWRGG-NCDDCHNLSA-N 336.839 2.561 50 1 EFGF Cc1nc(-c2c[nH]cc2-c2nc3ccc(C(=O)NN)cc3[nH]2)cs1 587020572 CZPMPINJDHSKFU-UHFFFAOYSA-N 338.396 2.593 50 1 EFGF CCCN1[C@@H](C)Cc2ccccc2[C@]1(c1ccc(B(O)O)cc1)C1CC1 963244401 WQUDKBJCDLSGCI-KSFYIVLOSA-N 349.283 2.677 50 1 EFGF CNC(=S)NNC(=O)[C@@H](C)c1ccc(-c2ccccc2)c(F)c1 103200019 JASBWDMAYQNFJH-NSHDSACASA-N 331.416 2.721 50 1 EFGF CN(C)CCSSCCN(C)C(=O)COc1ccc(F)cc1 618010451 XHPQPMXINNUANA-UHFFFAOYSA-N 346.493 2.606 50 1 EFGF O=C(NNc1ncnc2sc3c(c12)CCC3)c1ccccc1O 1772637963 NWEOUCKRWONUGA-UHFFFAOYSA-N 326.381 2.643 50 1 EFGF C=CCC1=CC=C/C(=C\NNC(=O)[C@H](C)Nc2cccc(C)c2)C1=O 13119050 HNZDSQINZAXWOX-XOAFGZPJSA-N 337.423 2.942 50 3 EFGF CN(C)CCSSCCn1cc(-c2ccc(C#N)cc2)nn1 618010505 YEQBYBNNGJCOKS-UHFFFAOYSA-N 333.486 2.760 50 1 EFGF CCNc1nnc(C(C)(C)c2ccc(S(=O)(=O)/C=C/C#N)cc2)o1 147599755 OGXXLUBXZLXLIR-VZUCSPMQSA-N 346.412 2.638 50 1 EFGF Cc1cc(C)c2c(N)c(C(=O)N/N=C/c3cccn3C)sc2n1 61101680 OPNDBUJYLQRYIG-QGMBQPNBSA-N 327.413 2.598 50 1 EFGF CC1(C)O[C@@H]([C@](C)(O)/C=C/Br)C[C@H]1Br 86036099 UIVSTSHQZIFSSM-MFNNPTTOSA-N 328.044 2.977 50 1 EFGF CC(C)[C@@H](Br)[C@H]1N[C@H](C(=O)O)Cc2cccc(F)c21 962915304 VDXTXRPNGVZLHB-UHTWSYAYSA-N 330.197 2.885 50 1 EFGF Cc1ccc([C@H]2[C@H](Cl)C(=O)N2n2cnc3ccccc3c2=O)cc1 5838684 NVUKHYBENWSVTK-HOTGVXAUSA-N 339.782 2.532 50 1 EFGF CC1=NN(c2nc(N)nc(/C(C#N)=C/c3ccccc3O)n2)C(C)(C)C1 5964583 MKHOORUZOBBWIC-MDWZMJQESA-N 349.398 2.588 50 1 EFGF COCC1=C(C(=O)OC)[C@H](c2ccccc2Cl)C(C#N)=C(C)N1 62224669 OLEMIRNFAJNPKY-OAHLLOKOSA-N 332.787 2.898 50 1 EFGF Nc1ccc(C(=O)N(/N=C/c2ccco2)C(=O)c2cccnc2)cc1 66251646 IJALOSMJCHVZPI-CIAFOILYSA-N 334.335 2.574 50 1 EFGF CCN(CC)Cc1cccc(/C(C)=N/NC(=O)c2ccncc2)c1O 103242060 HAJACCHAKAUFJM-KGENOOAVSA-N 340.427 2.783 50 1 EFGF C[C@@H](Cl)C(=O)Nc1cccc(-c2ccc3c(O)nc(O)nc3n2)c1 587367554 YPTIVOGIFNJVML-MRVPVSSYSA-N 344.758 2.669 50 1 EFGF CN1C(=O)C[C@@H]2CN[C@@]3(C=C[C@H](Br)C3)c3cccc1c32 963033161 PZKVJDHLGFCAGX-OHUAYANFSA-N 333.229 2.659 50 1 EFGF CCCCNS(=O)(=O)c1ccc2nc(CBr)[nH]c2c1 586972075 FPZJALJYLJNBDR-UHFFFAOYSA-N 346.250 2.536 50 1 EFGF CO[C@@H]1C(=O)OC(=O)C(C)(C)c2cc(O)c3cc(C)c(O)cc3c21 143510102 RUWQKGHNIXMWSA-HNNXBMFYSA-N 330.336 2.608 50 1 EFGF CC(C)NC(=O)c1ccc(Cl)cc1C(=O)NN=Cc1ccco1 472791603 QCYIMTIBTDAEOA-UHFFFAOYSA-N 333.775 2.835 50 1 EFGF COc1c2occc2c(NC(=O)NCCCl)c2ccc(=O)oc12 1857565113 OYAORSDADWOIPC-UHFFFAOYSA-N 336.731 2.908 50 1 EFGF COc1cccc(/C=N\NC(=O)CSc2ccccc2C)c1O 64245763 SWKRNLPZWKDQIV-ZDLGFXPLSA-N 330.409 2.952 50 1 EFGF O=[N+]([O-])OC[C@H](CSSc1ccc(Cl)cc1)O[N+](=O)[O-] 38462614 XIZILHHEGWWAQY-MRVPVSSYSA-N 340.766 2.866 50 1 EFGF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2ccc(C(=O)NN)cc2[nH]1 587150504 LCJWPHZDSPMDLW-MRVPVSSYSA-N 332.310 2.585 50 1 EFGF CCOCCOC(=O)/C(C#N)=C(\NCc1ncc(C(C)C)o1)C(C)C 103200524 DTCXAJVYZWPMCU-VKAVYKQESA-N 349.431 2.901 50 1 EFGF C[C@H](Br)C(=O)Nc1cccc(NC(=O)NCCCl)c1 49888687 AMMJJENXYBKDTN-QMMMGPOBSA-N 348.628 2.769 50 1 EFGF NNC(=O)c1ccc2nc(Cc3ccccc3C(F)(F)F)[nH]c2c1 587106607 JVZFUZOOVWHGQQ-UHFFFAOYSA-N 334.301 2.776 50 1 EFGF CCOC(=O)[C@H](Cl)[C@@]1(CC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587416558 BBPGUYJXMRJIQY-PJQXDXOGSA-N 338.787 2.762 50 1 EFGF CCCc1c(O)ccc2c1O[C@](CCl)(COC(C)=O)CC2=O 587458250 INMJHRBAEARFNV-MRXNPFEDSA-N 326.776 2.851 50 1 EFGF O=C(CCC(=O)Nc1cccc([N+](=O)[O-])c1)N/N=C\c1cccs1 15899955 FYRRJIFTXHCOBN-YBEGLDIGSA-N 346.368 2.525 50 1 EFGF CC(=N)/C(C#N)=C(/O)CSc1nnnn1-c1ccc(C)cc1C 101666208 GCQAVKRGUVAVIF-AREJPURVSA-N 328.401 2.747 50 1 EFGF COc1ccc(/C=N/N(C)C(=O)c2ccc(OC)c(OC)c2)cc1 95555956 QTXIWZYYPPGBBA-XDHOZWIPSA-N 328.368 2.819 50 1 EFGF CCOC(=O)[C@@H](Cl)c1[nH]c2ccc(S(C)(=O)=O)cc2c1C 587650190 YZRBYMPKPSQGQL-LBPRGKRZSA-N 329.805 2.723 50 1 EFGF C[C@@H](Cl)C(=O)Nc1ccccc1-c1ccc2c(O)nc(O)nc2n1 587367103 SNZUPWLDIXLEBN-MRVPVSSYSA-N 344.758 2.669 50 1 EFGF O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1ccc(F)cc1 5949337 FEKYKCJBAIJRLT-UHFFFAOYSA-N 344.367 2.602 50 1 EFGF CN(C)C(=O)[C@H](Cl)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587494793 ACLKKTOPJCBVOA-WMZOPIPTSA-N 335.831 2.985 50 1 EFGF COC(C)(C)[C@H](Br)c1nc2c(S)nc(S)nc2[nH]1 586971622 UXRJHMKOXMCQKY-RXMQYKEDSA-N 349.279 2.791 50 1 EFGF COC(=O)c1ccc2nc([C@@H](Br)C(C)(C)F)[nH]c2n1 587087409 PXEMULRPILDZKG-MRVPVSSYSA-N 330.157 2.929 50 1 EFGF C/C(=N/NC(=O)c1ccncc1)c1cccc(CN2CCCC2)c1O 28528265 YGEVVVKXABWLBW-STZFKDTASA-N 338.411 2.537 50 1 EFGF O=C(N/N=C/c1ccc(F)cc1)c1c[nH]c2c(F)cccc2c1=O 653897469 UAMQOKGVCZFDGT-ODCIPOBUSA-N 327.290 2.570 50 1 EFGF CC(=O)OC[C@]1(C)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 1772579894 UHMQYFARBJHQPU-DCFUQEALSA-N 326.389 2.554 50 1 EFGF C/C(=N/NC(=O)c1cccs1)c1ccc(N2CCOCC2)cc1 13136448 DMXIWCKOROCAME-AQTBWJFISA-N 329.425 2.739 50 3 EFGF CC(=O)c1cccc(C(=O)N(C)CCSSCCN(C)C)c1 618010017 ODAGAXONSIVTBX-UHFFFAOYSA-N 340.514 2.904 50 1 EFGF CCCc1c(O)ccc2c1O[C@@](C)([C@@H](Cl)C(=O)OC)CC2=O 587458230 IBIVWWQOQISWKQ-GOEBONIOSA-N 326.776 2.849 50 1 EFGF CC(C=C[C@@H]1[C@](C)(O)[C@H](O)[C@H](O)[C@@H]2C(C)(C)CCC[C@]12C)=CC=O 2356764013 XWVGZNYHKHGOKZ-JLJUJHICSA-N 336.472 2.623 50 1 EFGF CC(C)=CCC[C@@H]1COC(=O)[C@H]2/C(C=O)=C\C[C@H]3O[C@@]3(C)C[C@H](O)[C@H]12 238757195 GKQSMVCMXQSIEG-BBRXBVBJSA-N 348.439 2.576 50 1 EFGF O=C(O)c1cccc(-c2ccc(/C=N\NC(=O)c3cccnc3)o2)c1 13111796 OGLMZOJADQEBTA-JAIQZWGSSA-N 335.319 2.804 50 1 EFGF CC[C@@]1(C)C/C(=N\NC(N)=O)c2c(c(OC)c3occc3c2OC)O1 64446976 JNABOSSQNRRORM-AEUYPJEVSA-N 347.371 2.774 50 1 EFGF CC1=C(c2ccc3nc(/C=C/CBr)[nH]c3c2)NNC(=O)C1 586973760 OAMXTYZFEJVRJF-NSCUHMNNSA-N 347.216 2.727 50 1 EFGF O=C(N/N=C/c1ccc(Br)cc1)c1ccc([N+](=O)[O-])o1 34185453 BQTNUABALLFWCZ-VGOFMYFVSA-N 338.117 2.714 50 1 EFGF CC(C)(Br)[C@H](Br)CC[C@]1([C@H]2CO2)CO1 299816255 WCSBTSWCLLSCFB-NQMVMOMDSA-N 328.044 2.871 50 1 EFGF Oc1nc(O)c2ccc(-c3cccc4nc(CCl)oc34)nc2n1 587368325 GXTGJPBZBGEEHS-UHFFFAOYSA-N 328.715 2.983 50 1 EFGF NCCSSCCCNC(=O)c1ccc2ncsc2c1 618007710 MIGOFPOQINVXON-UHFFFAOYSA-N 327.500 2.756 50 1 EFGF CCOC(=O)CC[C@@]1(CCl)CC(=O)c2cc(C)cc(N)c2O1 587370770 BRCOMYYEUFAROD-INIZCTEOSA-N 325.792 2.863 50 1 EFGF C[C@@](O)(CCl)COC1=C[C@H]2Oc3ccccc3C(=O)[C@@H]2C(O)=C1 64552946 DEGDWHGFCLTYIK-BFYDXBDKSA-N 336.771 2.592 50 1 EFGF Cc1cc(C)n(CCC(=O)N/N=C\c2ccc(Cl)c([N+](=O)[O-])c2)n1 33320049 KOYMXWVNMDLVQN-MFOYZWKCSA-N 349.778 2.602 50 1 EFGF COc1ccc(Br)c(C(=O)N/N=C\c2cccnc2)c1 103183852 XTDGPGNYVPZXSB-MFOYZWKCSA-N 334.173 2.617 50 1 EFGF CC(=C/C=O)/C=C/[C@H]1[C@](C)(O)[C@@H](O)[C@H](O)[C@H]2C(C)(C)CCC[C@@]21C 138159912 XWVGZNYHKHGOKZ-FHELPVNXSA-N 336.472 2.623 50 1 EFGF NNC(=O)c1ccc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c2c1 587152056 JRAZWGNONIVIBL-QWRGUYRKSA-N 328.322 2.716 50 1 EFGF CC1=C(c2ccc3nc(/C=C\CBr)[nH]c3c2)NNC(=O)C1 586973759 OAMXTYZFEJVRJF-IHWYPQMZSA-N 347.216 2.727 50 1 EFGF CCOC(=O)CC[C@]12CC[C@H]3[C@H](C)CC[C@H]4CCO[C@@H](O1)[C@@]43OO2 195235892 MPXASXHUBOKDCE-RMWQOVRUSA-N 340.416 2.946 50 1 EFGF CC(C)(NC(=O)CCl)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587009469 HBCCKPMDORFNRY-UHFFFAOYSA-N 331.159 2.715 50 1 EFGF CCn1cc(C(=O)N/N=C/c2ccccc2C)c(=O)c2ccc(C)nc21 103212622 MCVJKOLGKMRENA-SRZZPIQSSA-N 348.406 2.797 50 1 EFGF CC(C)(C)OC(=O)/C(C#N)=C1\SCC(=O)N1c1ccccc1F 1857648426 QFJZGULESYBCMC-UVTDQMKNSA-N 334.372 2.982 50 1 EFGF CC=C(C=O)[C@@H]1C[C@H]2c3c(c4cc(O)ccc4n3[C@H](O)C1)CCN2C 2356663298 AIENSZLGKYKXFJ-ZNZDAUKMSA-N 340.423 2.922 50 1 EFGF C=CCOC(=O)[C@@]1(C)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 103188962 MSGLLDZBTORFMH-XKROTHGNSA-N 338.400 2.720 50 1 EFGF CC=C(C=O)[C@@H]1C[C@H]2c3c(c4cc(O)ccc4n3[C@@H](O)C1)CCN2C 2356663296 AIENSZLGKYKXFJ-VMDGZTHMSA-N 340.423 2.922 50 1 EFGF Cc1cc2c(cc1Cl)SC1=N[C@@H](CCl)CN1S2(=O)=O 35010349 RXIWKFPXAFXIQL-ZETCQYMHSA-N 337.253 2.722 50 1 EFGF CCOCCOC(=O)/C(C#N)=C(/CC)NCc1cnc(Cl)s1 103281007 YTSVKWDYXNPTLT-QXMHVHEDSA-N 343.836 2.653 50 1 EFGF O=C1O/C(=C\Br)C(Br)=C1CBr 29038920 YQXGWNMDOXCHTD-RQOWECAXSA-N 346.800 2.823 50 1 EFGF CCOc1cccc(NCC(=O)N/N=C2\CCCc3cnccc32)c1 1772593738 BABBZKQYMXXXMS-RELWKKBWSA-N 338.411 2.749 50 1 EFGF COc1ccc(Br)c(/C=N/NC(=O)c2ccccn2)c1 95808854 CUZUGSNOLVYLDN-RQZCQDPDSA-N 334.173 2.617 50 1 EFGF CC1=C[C@@H]2[C@H](C(C)C)CC[C@@]34CO[C@@]5(OO3)C(=C(C1=O)[C@H](O)[C@H]5C)[C@H]24 2356416407 SELAHBLHWQPORJ-SKQHFNFLSA-N 346.423 2.548 50 1 EFGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C(N)=O)oc1C)O2 587373823 TUAYIQPKUGNGSB-QGZVFWFLSA-N 348.786 2.677 50 1 EFGF NNC(=O)c1ccc2nc(C[C@H](N)c3cccc4ccccc34)[nH]c2c1 587258229 BMVOXYGCWWTKFL-INIZCTEOSA-N 345.406 2.562 50 1 EFGF CC(C)C/C(NNC(=O)c1ccncc1)=C1/C=C(Cl)C=CC1=O 33838996 JNEBVVLGWCTRQK-CCEZHUSRSA-N 331.803 2.878 50 3 EFGF CCOC(=O)[C@@H](Cl)[C@]1(CC)CC(=O)c2cc(C)cc(N)c2O1 587374288 VQJGZTYLMOGAOC-ZBFHGGJFSA-N 325.792 2.862 50 1 EFGF O=C(O)CCCCCCC(=O)N/N=C/c1ccc([N+](=O)[O-])s1 95808434 FWHPZXPQNYKEKG-NTEUORMPSA-N 327.362 2.532 50 1 EFGF COc1cccc(C(=O)N(C)/N=C/c2ccc(OC)c(OC)c2)c1 95552346 JYQNHTQCOXZRGR-XDHOZWIPSA-N 328.368 2.819 50 1 EFGF O=C(NN=C(c1ccccc1O)c1ccccc1O)c1ccccn1 299833857 ADEYMDJPOUCIBZ-UHFFFAOYSA-N 333.347 2.675 50 1 EFGF CO[C@@H]1CC(C=O)=CC=C2C3=C([C@H](C)CO)CC[C@@]3(CO)CC[C@@]21C 2356721236 YNWVJYUTUMCIQZ-PZQWHJIPSA-N 346.467 2.954 50 1 EFGF CCCc1c(O)ccc2c1O[C@@](C)([C@H](Cl)C(=O)N(C)C)CC2=O 587459261 NPQAZTSWMGAMQJ-NVXWUHKLSA-N 339.819 2.764 50 1 EFGF C/C(=N/NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccccc1 28654774 YBHPQWGFVBTSHY-STZFKDTASA-N 349.390 2.603 50 1 EFGF O=C(Cl)/C=C/C(=O)c1c(CO)oc2cc(Br)cnc12 587273587 MDJULCFTBSKSGL-OWOJBTEDSA-N 344.548 2.587 50 1 EFGF CC(C)(O)C=CC=C(C=O)[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]2(CO3)[C@@H]1C=O 2356476738 OXQMSDALZIMENC-AZNNDXHDSA-N 332.440 2.849 50 1 EFGF O=C(N/N=C/c1ccc(NC(=O)C(F)(F)F)cc1)C1CCCC1 66123902 RUYYKJUVCDBSCA-DJKKODMXSA-N 327.306 2.828 50 1 EFGF CCc1cccc(NC(=O)[C@H](Cc2ccco2)NC(=O)CCl)c1 35965515 XERFTUWNUMHJJU-HNNXBMFYSA-N 334.803 2.747 50 1 EFGF C#C/C=C\C[C@@H]1O[C@@H]2C[C@@H](Br)[C@H](CC)O[C@H]1C[C@@H]2OO 238776402 LKCIGYCRLQLMBC-BJZZAQRHSA-N 345.233 2.913 50 1 EFGF COc1cc2c3c(c1)O[C@](CCl)(c1c[nH]c(C=O)c1)[C@@H](C2)C3=O 587424266 YPQBTMRZJUDQNC-SUMWQHHRSA-N 331.755 2.718 50 1 EFGF Nc1ccc(C(=O)Nc2cc3c4c(cccc4c2)C(=O)OC3=O)cc1 95584143 ZCVBKTXEZSFEQG-UHFFFAOYSA-N 332.315 2.985 50 1 EFGF C[C@@H](Oc1ccccc1)C(=O)N(C)CCSSCCN(C)C 618009461 DMMYSXWOINKAIY-CQSZACIVSA-N 342.530 2.855 50 1 EFGF CC(/C=N/Nc1ccc([N+](=O)[O-])cc1)=N\NC(=O)c1ccccc1F 1857642343 UPEPAQNIHOVMDR-XOBNHNQQSA-N 343.318 2.938 50 1 EFGF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H](NC(=O)CCl)C(C)C)O2 587371512 GCKFSEOTAOINFW-SJORKVTESA-N 338.835 2.681 50 1 EFGF COc1ccccc1CCC(=O)NCCSSCCN(C)C 618010068 PEYBEAHKGBYKEK-UHFFFAOYSA-N 342.530 2.687 50 1 EFGF CCOC(=O)CSC1=C(C#N)[C@H](c2sccc2C)CC(=O)N1 178138 VFWQYZMJNKMQMR-SNVBAGLBSA-N 336.438 2.692 50 3 EFGF CC(C)CN(NC(=O)OC(C)(C)C)c1ncc(C#N)c(Cl)n1 58582730 RWVCFROLNWYPGD-UHFFFAOYSA-N 325.800 2.904 50 1 EFGF CCOC(=O)N/N=C(/C)c1ccc(/C(C)=N\NC(=O)OCC)cc1 12368873 JYIPIFIUTNMNPW-WHYMJUELSA-N 334.376 2.627 50 1 EFGF Nc1ccc(C(=O)N/N=C/c2ccc(Br)cc2O)cc1 1857608197 NGQZSPFNTSMQOD-CAOOACKPSA-N 334.173 2.501 50 1 EFGF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(C(=O)NN)cc1 587871500 JSHYVPCKCFEOCT-UHFFFAOYSA-N 340.358 2.681 50 1 EFGF CC(=O)NN(c1ccccc1)[C@H]1CCN(c2ccccc2)N1C(C)=O 5853090 XPAYCMMHSJSWNZ-LJQANCHMSA-N 338.411 2.544 50 1 EFGF Cc1ccc(/C=C(C#N)/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1 103229553 XNADZPCRMMYMDU-QXFGSWAMSA-N 344.417 2.731 50 1 EFGF CC1=CN2C(=N[C@](c3cccn3C)(C(F)(F)F)C(C#N)=C2N)C=C1 621477907 YILFEPSOGONUTC-OAHLLOKOSA-N 333.317 2.664 50 1 EFGF CC(C)[C@@H](CCl)N(C)[C@@H]1[C@@H]2C=C(C#N)C=C[C@H]2OC(C)(C)[C@H]1O 253869759 HOBXSQABSDKZBJ-HHARLNAUSA-N 338.879 2.724 50 1 EFGF CO[C@@H]1CC(C=O)=CC=C2C3=C([C@H](C)CO)CC[C@]3(CO)CC[C@@]21C 2356721235 YNWVJYUTUMCIQZ-MLCUKSTJSA-N 346.467 2.954 50 1 EFGF Cc1ccc(C)c2c1NC(=O)/C2=N\NC(=O)[C@@H](C)c1ccc(O)cc1 72181213 OXYYWGXWOCCXSB-LBPRGKRZSA-N 337.379 2.585 50 1 EFGF O=C(NNC(=S)Nc1ccccc1F)c1cc2ccccc2[nH]1 8145745 NOYYDENCABIMDX-UHFFFAOYSA-N 328.372 2.938 50 1 EFGF BrCCCCc1nc2nc(Br)c[nH]c-2n1 586972048 DIMRFRTWPITPEX-UHFFFAOYSA-N 334.015 2.785 50 1 EFGF CC(C)C(=O)CC[C@@H]1C(C=O)=C[C@H](O)[C@@H]2C(C)(C)[C@H](O)CC[C@]12C 2356450054 GZAWIMMRLPNFME-DRWJQLDWSA-N 336.472 2.911 50 1 EFGF CCCc1c(O)ccc2c1O[C@@](C)([C@H](Cl)C(=O)OC)CC2=O 587458229 IBIVWWQOQISWKQ-GDBMZVCRSA-N 326.776 2.849 50 1 EFGF CC(=NOCCBr)C(C)=NOCCBr 2356524315 ZDMNICJYEKOSBQ-UHFFFAOYSA-N 330.020 2.561 50 1 EFGF CC1(C)Oc2ccc3ccc(=O)oc3c2[C@H](O)[C@H]1Br 40379120 PERXJLHWMWDDAO-WCQYABFASA-N 325.158 2.761 50 1 EFGF COc1oc(=O)c2cc(NC(=O)CBr)ccc2c1Cl 27633381 WGYWAQCXHHPYTP-UHFFFAOYSA-N 346.564 2.788 50 1 EFGF COc1ccc(/C=N/NC(=O)NCCc2ccccc2)cc1OC 115599198 KYRNVTWWVAVTJS-DEDYPNTBSA-N 327.384 2.580 50 1 EFGF O=C(OCCCl)N(C(=O)OCCCl)c1onc2c1CCC2 28358886 AOGKEDHHTMXYCU-UHFFFAOYSA-N 337.159 2.721 50 1 EFGF CC1(C)CC(=O)C=C(NCC(=O)N/N=C\c2ccc(Cl)cc2)C1 101815133 JBYQOLHUJTYWMB-JMIUGGIZSA-N 333.819 2.653 50 1 EFGF CC(C)(NC(=O)CCl)c1nc2cccc(Br)c2[nH]1 587007912 IODOHWVMLDCPNK-UHFFFAOYSA-N 330.613 2.916 50 1 EFGF C#CC=CCCC(=O)C[C@@H]1O[C@H](CC)[C@H](Br)C[C@H]1O 2356658485 UGJHRFRUTHOGOT-TUVASFSCSA-N 329.234 2.607 50 1 EFGF O=C(O)C[C@@H]1CCCCC12OOC1(CCCC[C@@H]1CC(=O)O)OO2 43706565 NHJCUTGCMWBLKU-RJAIZQQDSA-N 344.360 2.619 50 1 EFGF CCOC(=O)CC[C@@]12CC[C@H]3[C@H](C)CC[C@H]4CCO[C@H](O1)[C@]43OO2 43379665 MPXASXHUBOKDCE-SKUOUFDCSA-N 340.416 2.946 50 1 EFGF O=C(CCCl)Nc1ccccc1-c1ccc2c(O)nc(O)nc2n1 587368051 ADNFDYVPQNZBCS-UHFFFAOYSA-N 344.758 2.670 50 1 EFGF O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1cccc(F)c1 17083853 IZJGMWBANMJWCM-UHFFFAOYSA-N 344.367 2.602 50 1 EFGF CC(C)[C@@H](Br)C(=O)Nc1nnc(C(F)(F)F)s1 103279067 WWYHTTNCALBQFC-SCSAIBSYSA-N 332.145 2.915 50 1 EFGF COc1cc(OC[C@H](O)CCl)cc2oc3ccccc3c(=O)c12 64553021 SEFNBIISRCTREN-SNVBAGLBSA-N 334.755 2.933 50 1 EFGF CC(C)c1nn(C)c2c1[C@](CCCl)(c1ccc(O)cc1O)NCC2 962923281 YPXIMBMDOJPUJT-SFHVURJKSA-N 349.862 2.973 50 1 EFGF O=C(CBr)Nc1ccc2c(c1)/C(=C/c1ccc[nH]1)C(=O)N2 1857542399 YIAXTGNYOVOQPV-SDQBBNPISA-N 346.184 2.841 50 1 EFGF CC(C)[C@H](C(=O)N/N=C1\C(=O)Nc2ccccc21)c1ccc(O)cc1 72178674 CJHGEERAKVDJAM-INIZCTEOSA-N 337.379 2.604 50 1 EFGF CC(C)(C)[Si](C)(C)O[C@@]12C#CC=CC#C[C@@H](O)C(=CCC1)C2=O 253754615 NXGUSROHOGYCLG-APWZRJJASA-N 328.484 2.974 50 1 EFGF CO[C@@]12C[C@H](CC[C@@H]1C)[C@](C)(CI)OO2 100925132 LVSKPZQYWLVRST-XWLWVQCSSA-N 326.174 2.921 50 1 EFGF CC1(C)O[C@@H]([C@@](C)(O)/C=C/Br)C[C@H]1Br 139046684 UIVSTSHQZIFSSM-TWFYULLRSA-N 328.044 2.977 50 1 EFGF Cc1nc2ccc(C(=O)NCCSSCCN(C)C)cc2[nH]1 618017796 PUQZBPXXXGNGBH-UHFFFAOYSA-N 338.502 2.544 50 1 EFGF Cc1oc(N)c(S(=O)(=O)/C(C#N)=C/c2ccccc2[N+](=O)[O-])c1C 1655185 TYPFFBZNFRGXRK-KPKJPENVSA-N 347.352 2.725 50 1 EFGF N#C/C(=C\C(C#N)C#N)C(=N)N1CCN(c2ccc(Cl)cc2)CC1 169691350 IFCBZCGAXDMXDH-BQLOJNAPSA-N 338.802 2.553 50 1 EFGF CN(C)CCSSCCCNC(=O)c1cccnc1Cl 618012729 YCXYSQLMQMKKET-UHFFFAOYSA-N 333.910 2.798 50 1 EFGF CC(=O)Nc1ccc(NC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1 28365388 BUYCVLBKUFJGDE-LICLKQGHSA-N 341.327 2.709 50 1 EFGF O=P(O)(O)[C@@H](Cl)c1cccc([C@@H](Cl)P(=O)(O)O)c1 27563406 OLDRYXPYTAKXIQ-OCAPTIKFSA-N 335.016 2.517 50 1 EFGF COC[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587542115 FRINPSQFJAKRKP-RHSMWYFYSA-N 334.755 2.978 50 1 EFGF O=C1OC(=O)c2cc(-c3nc4ccc(Br)nc4[nH]3)ccc21 586907850 NZDXXHPZPYENMW-UHFFFAOYSA-N 344.124 2.698 50 1 EFGF O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCCO2 1772590478 LKKYWPZNAZFSBA-WOJGMQOQSA-N 341.323 2.520 50 1 EFGF O=C1C=CC(=CNNC(=O)CSc2cccc3cccnc23)C=C1 13126847 LKLIZKSRYHOUKV-UHFFFAOYSA-N 337.404 2.527 50 3 EFGF CC(C)[C@@H]1C[C@@H](OO)N[P@](=O)(N(CCCl)CCCl)O1 43815770 ARFCDBWYTVREQV-QHJCOXKOSA-N 335.168 2.724 50 1 EFGF Cc1csc(NNC(=O)c2[nH]nc(-c3ccc(Cl)cc3)c2N)n1 653719929 SKHYOMKDQQTSSC-UHFFFAOYSA-N 348.819 2.834 50 1 EFGF COC(C)(C)[C@H](Br)c1nc2cc([N+](=O)[O-])cnc2[nH]1 586971775 YPUVEFPIFPJXIO-MRVPVSSYSA-N 329.154 2.727 50 1 EFGF O=C(CNc1cccc(Oc2cccnc2)c1)N/N=C/c1ccncc1 147480309 TZWZXUPXRIVEDQ-FSJBWODESA-N 347.378 2.831 50 1 EFGF Cc1cccc(C(=O)NN(C(=O)c2snnc2C)C(C)(C)C)c1 103214523 BEERSDQQXBPRMF-UHFFFAOYSA-N 332.429 2.741 50 1 EFGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)CCC[C@@H]1Br 587371950 IMAYWQFMNCRIOG-WFASDCNBSA-N 338.201 2.798 50 1 EFGF COc1cccc2cc(C(=O)NCCCSSCCN)oc12 618007735 NJWATWAARHLKHF-UHFFFAOYSA-N 340.470 2.901 50 1 EFGF O=C(N/N=C/CCC/C=N/NC(=O)c1cccs1)c1ccco1 1857648918 AQMGFVKBNGMQHC-GONBZBRSSA-N 332.385 2.643 50 1 EFGF CCOC1=C/C(=C/NNC(=O)c2ccccc2-n2cccc2)C=CC1=O 38187558 OVQXTVMAOBXTFD-CCEZHUSRSA-N 349.390 2.655 50 3 EFGF CC(=O)NNc1nc(O)c2c(-c3ccccc3)c3c(nc2n1)CCCC3 29057524 LAUJMYANEURDCJ-UHFFFAOYSA-N 349.394 2.739 50 1 EFGF CC(=O)NNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=NN1C 73295411 SMNCMWPHYVMAAA-UHFFFAOYSA-N 341.802 2.666 50 1 EFGF O=C(N/N=C/c1c[nH]nc1-c1ccc(Cl)cc1)c1ccncc1 653771344 UGHMAHPTHIIMGL-KEBDBYFISA-N 325.759 2.889 50 1 EFGF CCCc1c(O)ccc2c1O[C@](C)([C@@H](Cl)C(=O)OC)CC2=O 587458231 IBIVWWQOQISWKQ-HOCLYGCPSA-N 326.776 2.849 50 1 EFGF Cc1cc2c(c(=O)o1)[C@@H](c1c[nH]c3ccc(C#N)cc13)C(C#N)=C(N)O2 103169603 HFYVLDPRGJVMPU-MRXNPFEDSA-N 344.330 2.519 50 1 EFGF CC(=O)O[C@]12C(=O)OC(=O)[C@]3(C)CCC[C@@](C)(c4ccccc41)[C@H]23 2356685997 NYUIETATSKBTCZ-WQANXHIZSA-N 328.364 2.606 50 1 EFGF CC1=C(C=O)[C@@H]2[C@@H](C1)C(=O)C(CO)=CC[C@@]2(C)CC=CC(C)(C)O 2356754097 GCEMWHSWGVIYRO-OXFYSEKESA-N 332.440 2.753 50 1 EFGF C[C@]12CC[C@H]3[C@H](CC[C@@H]4[C@]3(C)CC[C@@H](O)[C@]4(O)C#N)[C@@H]1CCC(=O)O2 195140880 FTVJLTOZPAYRAH-DTJDKSQRSA-N 347.455 2.550 50 1 EFGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)CCC[C@H]1Br 587371948 IMAYWQFMNCRIOG-IUODEOHRSA-N 338.201 2.798 50 1 EFGF CCCCCCC[C@H]1O[C@@H]2OC(=O)N(C(=O)CCl)[C@@H]2CC1=O 14299789 AHZDMZDGUMWOHD-MPKXVKKWSA-N 331.796 2.617 50 1 EFGF COc1ccc(NC(C)(C)c2nc3ccc(C(=O)NN)cc3[nH]2)cc1 587201868 XWIIRCSFBSDTND-UHFFFAOYSA-N 339.399 2.522 50 1 EFGF O=C(Cl)CCC(=O)c1c(CO)oc2cc(Br)cnc12 587274637 XIXVAMHYLIWGIZ-UHFFFAOYSA-N 346.564 2.811 50 1 EFGF O=C(NO)c1ccc(C(=O)N/N=C/c2ccc3ccccc3c2)cc1 95809693 FXHDHEKVIAJTOJ-UDWIEESQSA-N 333.347 2.723 50 1 EFGF CCC[C@H](C[C@H](O)C(Br)Br)OC(C)=O 5842292 OJACLJLXKPGSGL-SFYZADRCSA-N 332.032 2.585 50 1 EFGF biogenic CC(=O)NN(c1ccccc1)[C@@H]1CCN(c2ccccc2)N1C(C)=O 1636407 XPAYCMMHSJSWNZ-IBGZPJMESA-N 338.411 2.544 50 1 EFGF C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C(C=O)=C[C@@]43C)[C@@H]1CC[C@@]2(C)O 1488 AMVODTGMYSRMNP-HFTOWYAQSA-N 344.451 2.585 50 1 EFGF biogenic Cc1c(C(=O)N/N=C\c2ccc(O)cc2O)oc2cccc(O)c12 1911583574 PUQINIYVPDTKEP-LSCVHKIXSA-N 326.308 2.622 50 1 EFGF O=S(=O)(CCCCl)NCCNc1cccc2ccccc12 299819852 DEFQFZAHGAWHAQ-UHFFFAOYSA-N 326.849 2.800 50 1 EFGF C[C@@H](c1ccc(CBr)cc1)c1nc2c(N)ncnc2[nH]1 586974217 STQQJTBICVNKMB-QMMMGPOBSA-N 332.205 2.982 50 1 EFGF COc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)CBr)CC3 13777749 KLIVSNNQCRWUPQ-VIFPVBQESA-N 337.217 2.545 50 1 EFGF CO[C@]1(c2cccnc2-c2cnn(C)c2)C=C(C#N)C(=O)C(C)(C)C1 1857586368 PHNDKUXYYXVXMQ-LJQANCHMSA-N 336.395 2.773 50 1 EFGF