smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCCCCCCCN[C@H](c1ccc(Cl)cc1)[C@@H](O)c1ccc(Cl)cc1 1668720 PROPYXUGBLJQGO-YADHBBJMSA-N 394.386 6.718 30 40 GKEB COc1ccccc1[C@@H](CC/N=C/c1ccccc1O)[C@@H]1CCOC(C)(C)C1 4027873 RFBQGXKIZQGLDS-MRFHOMMXSA-N 381.516 5.199 30 40 GKEB biogenic N#C/C(=N\Nc1cc(Cl)ccc1Cl)c1nc(-c2ccc(F)cc2)cs1 4175485 KAEOCHOKOLYIAR-BUVRLJJBSA-N 391.258 5.596 30 40 GKEB O=C1C=C(c2ccccc2)C(=O)[C@]2(c3ccccc3)C=CC[C@H](c3ccccc3)[C@@H]12 5203197 BMIREVXEZWIFLP-KHGZIGHDSA-N 390.482 5.520 30 40 GKEB O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)c1ccc(-c2ccc(F)cc2)o1 5543126 OPNANUOFRUCQIK-PKNBQFBNSA-N 392.813 6.895 30 40 GKEB CCOc1c(Br)cc(/C=N/c2cccc(Cl)c2C)cc1OC 6957980 PGHLPRHDIUYUOS-KEBDBYFISA-N 382.685 5.569 30 40 GKEB C/C(=N/Nc1nc(-c2ccc(C)cc2)cs1)c1ccc(Br)cc1 12462009 NGHYGVUVNZDGJS-BKUYFWCQSA-N 386.318 5.717 30 40 GKEB O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)c1cccc(N2CCOCC2)c1 48303089 PPTCGECTSVKPTL-CSKARUKUSA-N 393.870 5.333 30 40 GKEB O=C1c2ccccc2-c2cc(Cl)c(/N=C\c3ccc(Cl)cc3Cl)cc21 90485244 VWEWJAOPROYKAY-VROXFSQNSA-N 386.665 6.609 30 40 GKEB Cc1ccc(-c2oc(/N=C/c3ccc(O)cc3)c(C#N)c2-c2ccc(C)cc2)cc1 102957584 TYCFGNNSHRQEIK-LQKURTRISA-N 392.458 6.558 30 40 GKEB Cc1cc2c(cc1/C=N\NC(=S)Nc1ccccc1)[C@H](C)CC(C)(C)N2C 208214481 AHZKAGFZOPQZLC-GMPVXANTSA-N 380.561 5.038 30 40 GKEB Cc1cc(/C=N\NC(=S)Nc2ccccc2)c(C)n1-c1ccc(Cl)cc1 212153649 FFZBHIAPPLMOKP-XKZIYDEJSA-N 382.920 5.068 30 40 GKEB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)/C(=C/c1ccccc1)C(=O)c1ccccc1 226324258 LHTRLJFFJJYZCU-XEGCZZDHSA-N 390.523 5.957 30 40 GKEB C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1C/C(=C\c1ccc(Cl)cc1)C2=O 253617044 HKMPOVRTHIXEAQ-KSOYQNEMSA-N 397.002 7.335 30 40 GKEB COC(=O)c1cccc(Cn2cc(/C=N\c3cc(C)ccc3C)c3ccccc32)c1 408543941 QXXKWNLFTSVNSX-DICXZTSXSA-N 396.490 5.844 30 40 GKEB CCC(C)(C)[C@@H]1CCC(=O)/C(=C/Nc2ccc(Oc3ccccc3OC)cc2)C1 408563551 NFDQEJNOGMQBDH-ZELAZJAISA-N 393.527 6.589 30 40 GKEB C=C(C)[C@@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@H]4[C@@]5(C)CCC(=O)C[C@H]5CC[C@@]43C)[C@@H]12 2038218754 JMNNBGGLFDJNBE-PRWOJQDSSA-N 396.659 7.597 30 40 GKEB CSc1ccc(/C=N/c2sc(Cc3ccccc3)c(C)c2C(N)=O)cc1 671958 QJLJMDBQYLNKQL-YDZHTSKRSA-N 380.538 5.219 30 40 GKEB CCCCCCCOC(=O)c1cc(-c2ccc(OC)cc2)nc2c(C)cccc12 2321940 WCXUEPVTOIGKSS-UHFFFAOYSA-N 391.511 6.346 30 40 GKEB C=CCOc1ccc(/C=N/c2cc(-c3ccc(C)cc3)nn2-c2ccccc2)cc1 4677105 DEMDHSIWJCANAD-ZXVVBBHZSA-N 393.490 6.163 30 40 GKEB O=c1oc2ccc(Cl)cc2cc1-c1csc(N/N=C/c2ccccc2)n1 4813766 AUDPFOVNFTWOMO-UFFVCSGVSA-N 381.844 5.016 30 40 GKEB CC(=O)Nc1sc(N/N=C/c2cccc(Cl)c2)nc1-c1ccc(C)cc1 4981248 CHFQEMZTNAZKJV-SRZZPIQSSA-N 384.892 5.176 30 40 GKEB COc1ccc(/N=C/c2ccc(OCc3ccccc3)c(Br)c2)cc1 8116524 ZPJSJKQHZUJLQL-OEAKJJBVSA-N 396.284 5.787 30 40 GKEB COc1cccc(/C=C/c2nc(C#N)c(N3CCC(Cc4ccccc4)CC3)o2)c1 8494494 BWSIMRGTYQCPQG-ZHACJKMWSA-N 399.494 5.184 30 40 GKEB C=CCn1c(-c2ccc(Cl)cc2Cl)cs/c1=N\c1ccccc1Cl 15912429 FKBJMJMLKLJCKL-PYCFMQQDSA-N 395.742 6.595 30 40 GKEB CCn1cc(/C=C2\C[C@H]3[C@H]4CCc5cc(OC)ccc5[C@@H]4CC[C@]3(C)C2=O)cn1 36614388 XKRIBCLXBKPPCM-FMGHMPIQSA-N 390.527 5.030 30 40 GKEB O/N=C1/CCCCCCCCCC[C@@H]1N1CCN(c2ccccc2Cl)CC1 100950507 XNOULDUJRSBNPK-ATHPHSJWSA-N 391.987 5.575 30 40 GKEB CCCOc1ccc(/C=N\c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 409082553 SUEKNHAMOACPBK-WZJLVRHISA-N 380.557 6.310 30 40 GKEB C#CCOc1c(Cl)cc(CNc2ccc(Cl)c(Cl)c2)cc1OCC 409195851 REIZCQXEVGJYFI-UHFFFAOYSA-N 384.690 5.670 30 40 GKEB COc1ccc(-c2cc(C(=O)Nc3ccccc3C#N)c3ccccc3n2)cc1 873725 FAUYNDIWGQSZFS-UHFFFAOYSA-N 379.419 5.034 30 40 GKEB COc1ccc([C@@H](CC#N)[C@@H](C#N)c2ccc(Cl)cc2Cl)cc1OC 1084369 HSFRTCRSRLGYCS-GDBMZVCRSA-N 375.255 5.315 30 40 GKEB CCCCCCCCCNC(=O)c1cc(-c2ccc(C)o2)nc2ccccc12 2744939 VPYXSNIDWJIFDK-UHFFFAOYSA-N 378.516 6.284 30 40 GKEB COc1ccccc1/C=N/Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 5527547 CGXVVUIVUKJRPX-LFVJCYFKSA-N 385.492 5.932 30 40 GKEB Cc1nn2c(c1-c1ccccc1)NC1=C(C(=O)C[C@H](C)C1)[C@H]2c1ccc(F)cc1 14163638 SLVPOGYBKJKAAY-QKFKETGDSA-N 387.458 5.266 30 40 GKEB C=CC[n+]1c(-c2ccccc2)csc1Nc1ccc(/N=N\c2ccccc2)cc1 26570075 WNPQZMUQUVPQNJ-RQZHXJHFSA-O 397.527 7.048 30 40 GKEB CCCCC1CCC(c2nc(C#N)c(N/N=C/c3cccc(Cl)c3)o2)CC1 27562577 IXGMITLWZRLRNY-ZVHZXABRSA-N 384.911 6.110 30 40 GKEB C=C(C)Cn1c(SCCCCCCC)nc2sc3c(c2c1=O)CCC3 97949622 PESRQUMQNFFLQM-UHFFFAOYSA-N 376.591 5.585 30 40 GKEB COc1c(Cl)cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc1Cl 408527229 BKLHBPPGKMZZBB-DHDCSXOGSA-N 393.295 5.202 30 40 GKEB CCn1c(N/N=C/c2cn(Cc3ccccc3)c3ccccc23)nc2ccccc21 408692929 YRTDWHIEXIOAHE-WGOQTCKBSA-N 393.494 5.505 30 40 GKEB COc1ccc(-c2nc(/N=C/c3ccc(C)cc3)sc2-c2ccccc2)cc1 408722306 GUBFNOAAYALGLA-PCLIKHOPSA-N 384.504 6.545 30 40 GKEB CCN1C(=O)/C(=C\c2ccc(C)c(OC)c2)S/C1=N\c1cc(C)ccc1C 408909326 HDTUCJIKMLMNOH-DYEBMTOPSA-N 380.513 5.244 30 40 GKEB Cc1cc([N+](=O)[O-])ccc1/N=C\c1ccc(Sc2ccc(Cl)cc2)cc1 409106357 RMIPSZWQQGXHRB-XKZIYDEJSA-N 382.872 6.458 30 40 GKEB O=C1N/C(=N/c2ccc(Br)cc2)S/C1=C/c1ccc(Cl)s1 4704671 DCJDQIXVEGDWKB-YRNVUSSQSA-N 399.722 5.056 30 40 GKEB Oc1ccc2oc3c(c2c1/C=N/N(c1ccccc1)c1ccccc1)CCCC3 4815249 TUECGFVBKUKEBR-YZSQISJMSA-N 382.463 6.189 30 40 GKEB COc1ccc(/C=N/CC[C@@H](c2ccc(OC)cc2)[C@@H]2CCOC(C)(C)C2)cc1 5425101 YNWBONWELXGPNC-JCTTVDHDSA-N 395.543 5.502 30 40 GKEB CCOc1ccc(/N=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1 6962088 HALSBNIJCQGIFV-OGLMXYFKSA-N 399.465 6.707 30 40 GKEB Cc1ccc(/N=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)c(C)c1 8368673 VRVZAKKREZLVKO-DHRITJCHSA-N 384.306 6.940 30 40 GKEB Cc1nn(CC(C)C)c2sc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)cc12 84067995 IODFUTVUYSAYLY-CQSZACIVSA-N 394.525 5.162 30 40 GKEB CC(C)(O)C#CC[C@H]1C[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl 222073678 FSEWYBKECRKVOT-UPZJHPNMSA-N 396.956 5.003 30 40 GKEB C=CCNC(=O)c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 408975647 BSLSVSGVAFDGNK-UHFFFAOYSA-N 377.494 5.003 30 40 GKEB Cc1ccc(/C=N/c2oc(-c3ccccc3)c(-c3ccco3)c2C#N)cc1[N+](=O)[O-] 408976946 TZFHQMWKWMBWIW-AFUMVMLFSA-N 397.390 6.046 30 40 GKEB COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4c(c3)CCC=C4)n2)cc1 560217024 CJCAYEZECZBOHL-FQEVSTJZSA-N 386.476 5.268 30 40 GKEB C=CCSc1nc2sc3c(c2c(=O)n1CC(=C)C)CCc1ccccc1-3 2336866 GGXYFEGQSGUKQD-UHFFFAOYSA-N 380.538 5.078 30 40 GKEB O=C(C1=C2SC=C(c3ccccc3)N2CCCC1)c1cccc(OC(F)F)c1 3211605 BLAJWHUZTNIRAS-UHFFFAOYSA-N 399.462 5.914 30 40 GKEB Clc1ccccc1N/N=C/c1cccc(/C=N/Nc2ccccc2Cl)c1 4933075 RTBQWQXGXAUNTB-RNIAWFEPSA-N 383.282 5.885 30 40 GKEB C/C(=N\N1C(=O)c2ccccc2N[C@H]1c1cccc(Cl)c1)c1ccccc1O 5975555 FSGZUKVYUMFMOF-PFRKPPGBSA-N 391.858 5.036 30 40 GKEB CCCOc1c(Br)cc(/C=N/c2ccc(OCC)cc2)cc1OC 6880628 WKDMANBDOQGXDX-FYJGNVAPSA-N 392.293 5.396 30 40 GKEB C=CCOc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 8040977 PDOFRCUAJCZXOK-UHFFFAOYSA-N 379.843 5.949 30 40 GKEB O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1)N(c1nc3ccccc3s1)N2 8558959 SUGFMWDLFOYBCN-LJQANCHMSA-N 381.888 5.023 30 40 GKEB Cc1ccc(NC(=O)COc2cccc(/C=N\c3ccccc3C)c2)cc1Cl 8570942 CEOKYOIDXMSAQY-QFEZKATASA-N 392.886 5.725 30 40 GKEB O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C/c1cccc(Cl)c1 18254831 MYGQJEZMNORMMW-MDWZMJQESA-N 383.687 5.538 30 40 GKEB O=C(Nc1ccccc1)c1c(/N=C/c2c[nH]c3ccccc23)sc2c1CCCC2 59198978 KGYMUXQNINDZMW-CVKSISIWSA-N 399.519 6.111 30 40 GKEB Oc1ccccc1/C=N/c1ccc(OCC(F)(F)C(F)F)c(C(F)(F)F)c1 59475470 IMIHBIISEPZVEF-ZNLRHDTNSA-N 395.274 5.441 30 40 GKEB CCCCCCCCCCCCCC(=O)NC1=NN(c2ccccc2)C(=O)C1 59662747 SEFLUBQMKPHJHL-UHFFFAOYSA-N 385.552 5.554 30 40 GKEB CCOC(=O)c1c(C)oc2c1/C(=C/Nc1ccc(C)cc1)C(=O)c1ccccc1-2 100752532 BDHUDGLLHHRUCH-UYRXBGFRSA-N 387.435 5.389 30 40 GKEB CC1(C)C[C@H]2C[C@@](C)(CN2CC#CC[C@@](O)(c2ccccc2)C2CCCC2)C1 102475502 HTAKNOHRSLCONI-SKBVVQJISA-N 379.588 5.359 30 40 GKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccccc3OCC(C)C)S2)c(C)c1 408605814 YVPZKICHKORFCN-NDENLUEZSA-N 380.513 5.230 30 40 GKEB CCCOc1ccc2ccccc2c1/C=N/N(c1ccccc1)c1ccccc1 409015522 ZZGHWXRSGXACLB-NHFJDJAPSA-N 380.491 6.801 30 40 GKEB COc1ccc(Cl)cc1/N=C/c1ccc(Sc2ccc(Cl)cc2)s1 409017191 LGDLXIDUCVEHKV-SRZZPIQSSA-N 394.348 6.965 30 40 GKEB COc1cccc(Oc2ccc(N/C=C/C(=O)c3cccc(OC)c3)cc2)c1 409094238 CMDCRKKPPVJBDQ-BUHFOSPRSA-N 375.424 5.305 30 40 GKEB C[C@@H]1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)/C(=N/Cc2ccccc2)S1 721901 RCWHBHZPGXZJLP-ACHDJDMMSA-N 394.327 5.519 30 40 GKEB CN(CC#C[C@@]1(C)CC[C@H]2[C@H](O1)c1ccccc1OC2(C)C)Cc1ccccc1 4027755 VSJACZVSLVSJHV-FBILRYNDSA-N 389.539 5.219 30 40 GKEB C=C[C@](C)(CC[C@@H]1C(=C)C[C@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@@]21C)OC(C)=O 4104729 CFEOXVWJRPHLSF-SUKBPVAZSA-N 390.564 5.615 30 40 GKEB biogenic,in-vitro N#Cc1ccc(Oc2nc(-c3ccc(Cl)cc3Cl)nc3ccccc23)cc1 4852294 JHCJMGFPBLKVLO-UHFFFAOYSA-N 392.245 6.268 30 40 GKEB C/C(CC(=O)c1ccccc1)=N/CCCCC/N=C(/C)CC(=O)c1ccccc1 5502773 FNNLPTYQRNVYRT-AQPNWFMJSA-N 390.527 5.625 30 40 GKEB O=C(/C=C/c1c2ccccc2cc2ccccc12)c1ccc2c(c1)OCCCO2 5669478 CJYMCEQOZJOYAD-VAWYXSNFSA-N 380.443 6.050 30 40 GKEB N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(N2CCCC2)cc1 6590705 JCUIAQJDSSDLEN-UHFFFAOYSA-N 399.519 5.562 30 40 GKEB Cc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)ccc2C#N)cc1 12250969 RGLZJKASMQZHOP-UHFFFAOYSA-N 393.899 5.313 30 40 GKEB CCOC(=O)Nc1sc(N/N=C/c2ccccc2)nc1-c1ccc(C)cc1 16751447 UJXFEAVNBNLXNN-FYJGNVAPSA-N 380.473 5.133 30 40 GKEB CCN1C(=O)/C(=C\c2ccc(C)c([N+](=O)[O-])c2)S/C1=N\c1cc(C)ccc1C 408905840 FOTXUSGUBOMYKR-FOLIBTTPSA-N 395.484 5.144 30 40 GKEB Cc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1Cl 409207829 AVMCBZWTEKMTGN-HYARGMPZSA-N 385.872 5.167 30 40 GKEB COc1cc(N2CCOCC2)ccc1/C=N/c1ccc(Oc2ccccc2)cc1 409237973 KQAHPYOQLLHIGQ-XIEYBQDHSA-N 388.467 5.075 30 40 GKEB Cc1cc2c(cc1C)N[C@@H](c1cc(Cl)ccc1O)C1=C(CC(C)(C)CC1=O)N2 5068853 FRDVZSMIAMUOEJ-QFIPXVFZSA-N 396.918 5.884 30 40 GKEB CC(C)(C)c1ccc(/C=C/C(=O)c2ccc3c(c2)Nc2ccccc2S3)cc1 6313490 KRJJWCGLURUJDG-GXDHUFHOSA-N 385.532 7.088 30 40 GKEB CC[C@H](C)c1ccccc1/N=C/c1cc(Cc2ccccc2)cc([N+](=O)[O-])c1O 6449793 FRLLGZOBVPGYLQ-XUANBZSPSA-N 388.467 6.155 30 40 GKEB COc1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1Br 6736680 DYAVGDRVWAGPJY-CNHKJKLMSA-N 375.049 5.221 30 40 GKEB Cc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc(F)cc2)cc1 8371825 CYPANPKYCYLZMW-ZMOGYAJESA-N 398.275 6.226 30 40 GKEB Cc1nn2c(c1-c1ccc(Cl)cc1)NC1=C(C(=O)CCC1)[C@@H]2c1ccccc1 8559463 FSNNZKQRSGBKAO-QFIPXVFZSA-N 389.886 5.534 30 40 GKEB C=CC(=O)N1C/C(=C/c2ccc(Cl)cc2)C(=O)/C(=C\c2ccc(Cl)cc2)C1 16958928 UANWMDUDDVNHJV-WHYMJUELSA-N 398.289 5.058 30 40 GKEB CC(C)c1ccc(/C=N\Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 31854552 POENUGCOMBBZNU-YVNNLAQVSA-N 390.339 6.686 30 40 GKEB Nc1c(-c2ccc(F)cc2)c(C(F)(F)F)nn1-c1cccc(C(F)(F)F)c1 225179733 YTHHWWIDEKXKAP-UHFFFAOYSA-N 389.274 5.298 30 40 GKEB Clc1cccc(/N=C\c2cc(Br)c(N3CCCC3)o2)c1Cl 408853016 PCDPKAOPWMKHFH-OCKHKDLRSA-N 388.092 5.700 30 40 GKEB N#CCOc1ccc([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@H]32)cc1 409153725 MIJHOFIDMUWGSD-MDZRGWNJSA-N 381.273 5.178 30 40 GKEB CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C 605692320 YLZQRXWCRVQXTO-QAXGJQJKSA-N 398.587 6.321 30 40 GKEB in-vitro Cc1c2c(n3c(nc4ccccc43)c1C#N)N(c1cccc(C(F)(F)F)c1)CC2 642397 AUDCOKIWSMHZKT-UHFFFAOYSA-N 392.384 5.381 30 40 GKEB S=c1[nH]nc(C2CCCCC2)n1/N=C\c1cccc(OCc2ccccc2)c1 2356447 YAYCDEASUJQTQN-HAHDFKILSA-N 392.528 5.450 30 40 GKEB CCOc1ccc2c(c1)-c1c(ss/c1=[S+]\C)C(C)(C)N2C(=O)C(C)C 4904599 FEGNIVNFFNCHFJ-UHFFFAOYSA-N 394.607 5.357 30 40 GKEB CC1C/C(=C\c2cn(C)c3ccccc23)C(=O)/C(=C/c2cn(C)c3ccccc23)C1 4950685 BCIGZZMVHFZUPK-PXXPDPNMSA-N 394.518 6.136 30 40 GKEB C=CCOc1ccc(/C=C2/SC(=S)N(c3ccc(OCC)cc3)C2=O)cc1 6078801 FCCPVVGMMWZYQP-XMHGGMMESA-N 397.521 5.056 30 40 GKEB Cc1ccccc1OCc1ccc(-c2nc(C#N)c(N3CCCCCC3)o2)o1 8844557 SBTHKPMEBDOLIP-UHFFFAOYSA-N 377.444 5.074 30 40 GKEB CCOc1ccc(/N=C2/C(=O)N3c4c2cc(CC)cc4[C@H](C)CC3(C)C)cc1 12406378 LQIXJXMSPOUKJH-YUBSNBEWSA-N 376.500 5.401 30 40 GKEB CSc1nc(-c2ccc(Cl)cc2)c(C#N)c(N(C)Cc2ccccc2)n1 19820536 SRNGKDUGMMBSSI-UHFFFAOYSA-N 380.904 5.027 30 40 GKEB COCc1ccccc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 41514066 VEFOQQUFSDKTMF-KRWDZBQOSA-N 382.872 5.100 30 40 GKEB FC(F)(F)Oc1ccc(/N=C/C=C/Nc2ccc(OC(F)(F)F)cc2)cc1 100388077 HPOQGNPHUPVIGH-SYCYQGBRSA-N 390.283 5.812 30 40 GKEB O=C1c2ccccc2[C@@](/N=C\c2ccccc2)(c2ccccc2)N1c1ccccc1 104099162 NPIICIDOTBEWEA-HVDKMIPXSA-N 388.470 5.667 30 40 GKEB CCCCCCCCCCCCCCCC(=O)Nc1nc(O)c2nc[nH]c2n1 104120608 OFRCCDYYOMSXAM-UHFFFAOYSA-N 389.544 5.478 30 40 GKEB CCCCOC(=O)c1ccc(/N=C/c2cccn2-c2ccc(N(C)C)cc2)cc1 408952761 MPKGBYLYKNUVAH-XIEYBQDHSA-N 389.499 5.251 30 40 GKEB Cc1cc(/C=N\c2ccc3ccccc3c2)c(C)n1-c1ccc(C(C)(C)C)cc1 408965417 HDSGIZKAXNXYTC-VEILYXNESA-N 380.535 7.295 30 40 GKEB Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N\c1ccc2ccccc2c1 409082699 TWTSEYCZENZRNB-QRQIAZFYSA-N 381.519 6.764 30 40 GKEB O=C1/C(=C\c2ccccc2OCc2ccc3ccccc3c2)Sc2ccccc21 409311567 ASXVKQHWEXPCQG-PCLIKHOPSA-N 394.495 6.748 30 40 GKEB CSc1ccccc1[C@@H]1CCCCC[C@@H]1OS(=O)(=O)c1ccc(C)cc1 1715747 WNCLJWDPZQUUAG-ICSRJNTNSA-N 390.570 5.539 30 40 GKEB O=C1ON(c2ccccc2)[C@@H](c2ccccc2)N1c1ccc(Cl)c(Cl)c1 2245799 YPPDZACZGZHJKR-IBGZPJMESA-N 385.250 6.070 30 40 GKEB N#Cc1ccc(-c2csc(NC(=O)c3ccc(Cc4ccccc4)cc3)n2)cc1 4075725 ATVJAVNFMIPGAQ-UHFFFAOYSA-N 395.487 5.525 30 40 GKEB CCCCCn1c(/N=C/c2cc(Cl)cc(Cl)c2O)nc2ccccc21 4599345 AWGWWBBBSBCJIH-WSDLNYQXSA-N 376.287 5.990 30 40 GKEB Cc1nn(-c2ccccc2Cl)c(Cl)c1/C=N/Nc1ccccc1Cl 4979367 CYKMRQSQDCCWNP-UFFVCSGVSA-N 379.678 5.587 30 40 GKEB c1ccc2c(c1)C(=NN=c1c3ccccc3sc3ccccc13)c1ccccc1-2 5031769 KHKLIFYMNAYJSN-UHFFFAOYSA-N 388.495 6.388 30 40 GKEB COc1cc(/C=C/c2nc3cc(-c4ccccc4)ccc3o2)ccc1OCC#N 7745864 WPHRHHVBORVYQR-XYOKQWHBSA-N 382.419 5.576 30 40 GKEB C=CCn1c(-c2ccc(Cl)cc2Cl)cs/c1=N\c1ccccc1F 15911824 PEPWPVLOKDTMPB-PYCFMQQDSA-N 379.287 6.081 30 40 GKEB N#Cc1c(Sc2nccc3ccccc23)nc(-c2cccs2)c2c1CCCC2 16545108 IKBBPCNTVXIGIT-UHFFFAOYSA-N 399.544 6.260 30 40 GKEB O=[N+]([O-])c1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1 59471673 FIRMSYPPOYQBOA-QOGPNBCKSA-N 395.462 6.172 30 40 GKEB CCCCCCCCCCCCCCCC(=O)NCc1cccc(OC)c1 85836416 FIQGQTITXPTKIY-UHFFFAOYSA-N 375.597 6.793 30 40 GKEB biogenic,in-vitro Cc1cc(C)c(S(=O)(=O)Oc2ccc(/N=C/c3cccs3)cc2)c(C)c1 91302284 MFUHURBKYKXFOC-FYJGNVAPSA-N 385.510 5.192 30 40 GKEB N=C1N=C(c2ccccc2)/C(=N/Nc2c(Cl)cc(Cl)cc2Cl)S1 100846301 OTDTXUUQOGXQQE-ZVCBMSAGSA-N 383.691 5.543 30 40 GKEB CCCCN1C(=O)/C(=C\c2cccc(OCC)c2)S/C1=N\c1ccc(C)cc1 408911348 KFBKXVYUJGLZRM-RERTVAKNSA-N 394.540 5.798 30 40 GKEB CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccc(C(=O)O)cc2C)cc1OC 409380467 DZZMIUTUASKGJD-YSRRJJCPSA-N 375.852 5.283 30 40 GKEB Cc1cc(/C=N\c2cccc(O)c2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 409386740 RSKNJJIJVGZVLO-FMCGGJTJSA-N 394.496 5.189 30 40 GKEB FC(F)(F)CNc1ccccc1OCCC(F)(C(F)(F)F)C(F)(F)F 1083811719 HTYALLPTGHLKMP-UHFFFAOYSA-N 387.217 5.263 30 40 GKEB CCOc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1 712467 BKMRHUMIGHEKIN-SANMLTNESA-N 397.518 6.548 30 40 GKEB CC[C@H](C)NC(=N/c1ccc(C)cc1)/C(=N/[C@H](C)CC)Nc1ccc(C)cc1 2123153 FMGGNWIDZMOMJX-BGYRXZFFSA-N 378.564 6.031 30 40 GKEB O=C(Nc1cc(Cl)nc(Cl)c1)O/N=C/c1c(Cl)cccc1Cl 2581882 YDANLJXFSXYQLG-NGYBGAFCSA-N 379.030 5.278 30 40 GKEB CC(C)(C)c1ccc(-c2n[nH]c(=S)n2/N=C\c2cccc3ccccc23)cc1 2592491 HVTXOXFCZZXFEY-IWIPYMOSSA-N 386.524 5.941 30 40 GKEB CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1sccc1C 5452226 BEWGLMAZVOCWGG-HXUWFJFHSA-N 380.513 5.219 30 40 GKEB C=CCCCOc1ccc(/C=C/C(=O)c2ccc(OCCCCC)cc2)cc1 5614835 GKXIEGWRRAGZIQ-WOJGMQOQSA-N 378.512 6.497 30 40 GKEB COC(=O)Nc1sc(N/N=C/c2ccccc2Cl)nc1-c1cccs1 8868758 UFCWSUJCRVPWBJ-GIJQJNRQSA-N 392.893 5.149 30 40 GKEB N#Cc1c(NC(=O)c2cccc(Cl)c2)oc(-c2ccccc2)c1-c1ccccc1 39866972 IIKCLOUDQJUDAD-UHFFFAOYSA-N 398.849 6.391 30 40 GKEB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccc(N2CCOCC2)cc1 48253099 RHVLTWHGEZLFLV-PKNBQFBNSA-N 393.870 5.333 30 40 GKEB COc1ccc2c(c1)CCc1sc(/N=C/c3ccc(Br)cc3)nc1-2 59459292 FSTQIAFTGRLGNW-SRZZPIQSSA-N 399.313 5.430 30 40 GKEB FC(F)(F)C1(C(F)(F)F)[C@@H]2CC[C@]3(CC(F)(F)C(F)(F)S3)[C@@H]1C2 103013721 UHMGZMSZRULRFR-VQVTYTSYSA-N 376.259 5.631 30 40 GKEB CC(/C=C/c1ccccc1F)=N\Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 409053479 YSBKCMDUYDEKSA-HJABZNHRSA-N 382.420 5.359 30 40 GKEB Fc1cnc(Cl)nc1Oc1ccc2ccccc2c1/C=N/Nc1ccccc1 409063663 AUVAKGARAKGBOT-BRJLIKDPSA-N 392.821 5.661 30 40 GKEB O=C1C(O)=C(CCCc2ccc(OCc3ccccc3)cc2)C(=O)c2ccccc21 4878644 QYWBWLROSCVBBL-UHFFFAOYSA-N 398.458 5.480 30 40 GKEB CCOc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N=C2O)cc1OC 6554492 ZBYAIHASERWPJD-BOPFTXTBSA-N 388.876 5.479 30 40 GKEB CCSc1nc(C)c(C(=O)Nc2ccccc2C)c(-c2cccs2)c1C#N 6648940 YJAOIMHUHXGMNE-UHFFFAOYSA-N 393.537 5.663 30 40 GKEB Cn1c(N/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)nc2ccccc21 7343353 QFFPDQJJJRJHPA-SSDVNMTOSA-N 385.254 5.586 30 40 GKEB CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)O/N=C/c1ccc(C(C)(C)C)cc1 7718640 XFCHKWBXDWQKKX-CESCLRPOSA-N 380.532 5.875 30 40 GKEB C=CCOc1ccccc1/C=C/c1nc2ccccc2c(=O)n1-c1ccccc1 12809500 BHWVRJALKRRZKV-WUKNDPDISA-N 380.447 5.121 30 40 GKEB CC(=O)/C(=N\Nc1ccc(Cl)cc1Cl)Sc1cccc2cccnc12 13140390 XPUVYFAZUFZFKC-PTGBLXJZSA-N 390.295 5.648 30 40 GKEB C=CCc1c(C)nc2sc(C(=O)Nc3c(C)cc(C)cc3C)c(N)c2c1C 13282604 ZLBDEPPBESYZML-UHFFFAOYSA-N 379.529 5.401 30 40 GKEB CCCCCCCCCCOc1ccc(NC(=O)Nc2ccc(C)cn2)cc1 102454801 CJXUFZWYORGOPI-UHFFFAOYSA-N 383.536 6.554 30 40 GKEB O=C1C(=Cc2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)c2ccccc21 408808300 DWBICNMNBSLKHT-UHFFFAOYSA-N 381.406 5.291 30 40 GKEB CC(=O)Nc1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)cc1 409070703 OPTYPBBYSADDHY-OEAKJJBVSA-N 380.900 6.200 30 40 GKEB CC(C)CN1C(=O)/C(=C/C=C/c2ccco2)S/C1=N/c1ccc(Cl)cc1 409082240 RRFIHVVDVYDJDO-MGIKLFRISA-N 386.904 5.749 30 40 GKEB Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2ccccc2F)c(Cl)c1 409213203 SZSBVWMCTTVSRM-BRJLIKDPSA-N 388.269 6.771 30 40 GKEB O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc3oc(-c4ccc(Cl)cc4)nc3c2)c1 5003842 PBMISQHPWYEJMI-SSDVNMTOSA-N 393.786 5.513 30 40 GKEB COc1ccc(/N=C2\NC(=S)N(c3ccc(Cl)cc3)C23CCCCC3)cc1 5529753 WQFNABDGWMKJQZ-UHFFFAOYSA-N 399.947 5.476 30 40 GKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)Cn3ccc4ccccc43)c2C#N)C1 6323276 ILOQEEDJVBOOKB-INIZCTEOSA-N 391.540 5.364 30 40 GKEB C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1ccc(F)cc1 36253949 LMRXOUAVWALNLI-OAHLLOKOSA-N 376.456 5.340 30 40 GKEB CCn1c2ccccc2c2cc(N/C=C/C(=O)c3ccc(C(C)C)cc3)ccc21 51318661 QNBVXYNTNYZLBS-FOCLMDBBSA-N 382.507 6.746 30 40 GKEB CC(C)(C)c1cc(/C=C(\N=C/c2ccccc2)C(=O)O)cc(C(C)(C)C)c1O 100706246 ZIRBMEDBOBICRL-JTEZLUQPSA-N 379.500 5.532 30 40 GKEB CCn1nccc1/C=C1\C[C@@H]2[C@H]3CC[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]2(C)C1=O 253505375 LWLNXMRZXSNPHH-MYVQWRIUSA-N 380.576 5.898 30 40 GKEB Oc1c(C=Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc2ccccc12 260840546 BRGARIVRCKWJIS-UHFFFAOYSA-N 383.291 6.334 30 40 GKEB CCc1ccc(-n2c(C)cc(/C=N\c3cc([N+](=O)[O-])ccc3OC)c2C)cc1 408754388 NCKKNCTULAUKSW-UCQKPKSFSA-N 377.444 5.324 30 40 GKEB Cc1cc(/C=N\c2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408934852 DJZDUZRGNSBKBZ-KSEXSDGBSA-N 387.266 5.850 30 40 GKEB N#Cc1c(/N=C/c2cc([N+](=O)[O-])ccc2N2CCCCC2)sc2c1CCCC2 409063028 FSKIZXRCAVIAFU-OEAKJJBVSA-N 394.500 5.148 30 40 GKEB O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2/C=N/c2ccccc2)c([N+](=O)[O-])c1 409214011 WPLTWKKFDWPFRE-CIAFOILYSA-N 397.774 5.699 30 40 GKEB CC[C@@H](C)n1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c2ccccc21 409217064 NQJDLXQMZANDEN-DAUCFQFSSA-N 383.561 5.701 30 40 GKEB Cc1ccc(C(=O)O)cc1/N=C/c1ccc2c(ccn2Cc2cccc(F)c2)c1 409234306 KTUNBYDAARESQU-VULFUBBASA-N 386.426 5.586 30 40 GKEB CCN(CC)c1ccc(/C=N/Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 4475421 AVWBGAIGBSIABP-FYJGNVAPSA-N 395.488 5.011 30 40 GKEB CCCCOc1ccc(C(=O)/C(=C/c2ccccc2)c2nc3ccccc3o2)cc1 5610830 GNUDXVGKCGQTPI-PYCFMQQDSA-N 397.474 6.430 30 40 GKEB Oc1ccc2ccccc2c1/C=N/c1ccc(-c2ncc(-c3ccccc3)o2)cc1 5775797 QDCCZPQZONMYHG-JVWAILMASA-N 390.442 6.618 30 40 GKEB CC(C)(C)N1C(c2ccccc2)=NN(c2ccccc2)[C@H]1C#Cc1ccccc1 6262556 IHGUOMMLMAJCDZ-DEOSSOPVSA-N 379.507 5.347 30 40 GKEB Cc1[nH]c2ccccc2c1/C=C1\N=C(SCc2ccccc2Cl)SC1=O 15016460 HQDJOFRVDKVSJK-ZDLGFXPLSA-N 398.940 6.033 30 40 GKEB CN(C)c1ccc(-c2ccc(C=C3C=CC(=[N+](C)C)C=C3)c3ccccc23)cc1 95871200 TXKPOQKIBAKPJK-UHFFFAOYSA-N 379.527 5.795 30 40 GKEB CCCCCCCCCCCC(=O)N[C@@H](CSC)[C@H](O)CCCCCC 100302410 FWXRYYWKKSLFEH-LEWJYISDSA-N 387.674 6.086 30 40 GKEB in-vitro CCCCCCCCCCCCCCCC(=O)P(=O)(OCC)OCC 100306088 STQRAKVTHVXNSQ-UHFFFAOYSA-N 376.518 7.260 30 40 GKEB COc1ccc(/C=N\c2ccc(/N=C\c3ccc(OC)cc3)c(Cl)c2)cc1 104227251 KWCWSEUAQYYHCC-MQDDAKQZSA-N 378.859 5.858 30 40 GKEB CCc1ccc(-n2c(C)cc(/C=N/c3cccc(Br)c3)c2C)cc1 408754124 DNYYATPTBQVSTI-OEAKJJBVSA-N 381.317 6.170 30 40 GKEB COC(=O)c1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)cc1 409100320 UKCYIABDSMHNQN-OEAKJJBVSA-N 381.884 6.028 30 40 GKEB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=C/c3ccccc3)C[C@@H]12 1889136105 XVNNBSPKVRWTLT-ITORWRFRSA-N 378.556 5.653 30 40 GKEB Cc1ccc2oc(-c3ccc(/N=C/c4cc(Cl)ccc4O)c(C)c3)nc2c1 725411 UHFVYVNPWLLVJB-WYMPLXKRSA-N 376.843 6.221 30 40 GKEB CCc1cccc(C)c1/N=C1\N=C(SC)N(c2ccccc2C)C12CCCC2 2217647 WGBFVZLQJWAHIP-LVWGJNHUSA-N 391.584 6.448 30 40 GKEB C=CCn1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccccc1 2451778 KASWYOHJOASFEN-UHFFFAOYSA-N 376.312 5.730 30 40 GKEB COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/c2ccc(O)cc2)cc1OC 3243208 QOZMVUUGCIBWSV-MFKUBSTISA-N 399.450 5.013 30 40 GKEB O=C(Nc1cccc(C(F)(F)F)c1)N1CCCS/C1=N\c1ccccc1 4016209 JDPONJPSSWHPOH-QJOMJCCJSA-N 379.407 5.364 30 40 GKEB CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1 4349514 GKWIJQGWWICIFP-GXDHUFHOSA-N 392.882 6.214 30 40 GKEB Clc1ccc(-c2csc(N/N=C/c3ccc4c(c3)OCO4)n2)c(Cl)c1 5069854 PJBLETLDTQTONJ-IFRROFPPSA-N 392.267 5.292 30 40 GKEB CC(C)(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 5854101 DQYJVKPUKODMLQ-HAHDFKILSA-N 398.458 5.921 30 40 GKEB COc1ccc(Cl)cc1Nc1nc(SC)nc(-c2ccccc2)c1C#N 19820822 CLMDLNDXRNBDPD-UHFFFAOYSA-N 382.876 5.143 30 40 GKEB CCC1([C@](O)(C#CCN(Cc2ccccc2)C(C)C)c2ccccc2)CCCC1 57234781 MSKSHBGXNMDJDX-MHZLTWQESA-N 389.583 5.759 30 40 GKEB CC(=O)Nc1ccc(/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1 100384259 ZIVVOCCAMQODOK-ZVHZXABRSA-N 378.859 5.628 30 40 GKEB FC(F)(F)Oc1ccc(/N=C\C=C/Nc2ccc(OC(F)(F)F)cc2)cc1 100388070 HPOQGNPHUPVIGH-OJQJLEPASA-N 390.283 5.812 30 40 GKEB N#Cc1ccc(NC(=O)CCC(=O)NC2CCCCCCCCCCC2)cc1 199422833 PCHOAWGCRGHRJS-UHFFFAOYSA-N 383.536 5.066 30 40 GKEB CCc1ccc(/N=C/c2cn(Cc3cccc(C(=O)OC)c3)c3ccccc23)cc1 408542044 JNLGUIZYFTUFLC-JVWAILMASA-N 396.490 5.789 30 40 GKEB Cc1cc(/C=N/c2ccc(C(=O)O)cc2)c(C)n1-c1cccc(Br)c1 408913132 KYYUXKUIBNDNMM-WSDLNYQXSA-N 397.272 5.305 30 40 GKEB CCOc1cc(/C=N\Nc2ccc(C(F)(F)F)cc2)cc(Cl)c1OCC 408931932 SFXVNZXIQFSMOL-KSEXSDGBSA-N 386.801 5.602 30 40 GKEB CC(=O)c1cccc(/N=C/c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)c1 408939307 IJNUGDFTUFYPDC-WYMPLXKRSA-N 394.858 5.399 30 40 GKEB Cc1cc(/C=N\c2ccc(O)c(C(=O)O)c2)c(C)n1-c1ccc(C(C)(C)C)cc1 408965155 GONAFKCNNCZCTK-QFEZKATASA-N 390.483 5.546 30 40 GKEB Cc1cccc(/N=C/c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)c1C 409215802 FLUQFWPNLSZMPX-AFUMVMLFSA-N 392.886 5.725 30 40 GKEB Cc1ccc(NC(=O)COc2cccc(/C=N/c3cccc(F)c3)c2)cc1C 409382684 PEOSHCVDSINKED-AFUMVMLFSA-N 376.431 5.211 30 40 GKEB CC[C@@H](C)Oc1ccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc1 1531384276 YSBVLBUGSFZBIL-WNIQNGNASA-N 397.478 5.123 30 40 GKEB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(O)C#Cc1ccccc1 2049238457 WMAFYLBLTLVKOY-WHXNBXSYSA-N 376.584 6.202 30 40 GKEB C=CCc1cc(OC)ccc1Oc1nc(-c2ccccc2O)nc2ccccc12 2205532 ADGWELYSKWONGI-UHFFFAOYSA-N 384.435 5.532 30 40 GKEB CC[C@@H](Oc1ccccc1)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 2742045 LXQXBWXQJRISQD-DNVCBOLYSA-N 396.556 5.567 30 40 GKEB Cc1cccc2oc(-c3cccc(/N=C/C=C/c4cccc([N+](=O)[O-])c4)c3)nc12 3025751 XLJCIKFYXMVYOB-FKORGFIESA-N 383.407 6.127 30 40 GKEB O=C(/C=C/c1ccccc1)c1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 4595247 RBRIYZXTGWXESY-IZZDOVSWSA-N 385.507 5.738 30 40 GKEB CCOc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1cccc(Cl)c1 4740370 OFHUNHYLXSHYJE-IHCIQGKHSA-N 382.891 5.492 30 40 GKEB O=C1/C(=C/c2cccnc2)Oc2cc(OCc3c(Cl)cccc3Cl)ccc21 5149362 YWPOFDQDPQUSOS-UKWGHVSLSA-N 398.245 5.584 30 40 GKEB CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)ON2C(=O)CCC2=O)C(C)(C)CCC1 8434975 RUHGNRBGUUGLPD-LYKFAKFTSA-N 397.515 5.125 30 40 GKEB CC1(C)CC(=O)C2=C(C1)NN(c1nc3ccccc3s1)[C@H]2c1ccccc1 8558963 FRDKALRTWBCCRT-FQEVSTJZSA-N 375.497 5.005 30 40 GKEB CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(C(C)C)cc1)C2=O 9420142 XBEWFSYDIMRLSV-BKUYFWCQSA-N 379.456 5.267 30 40 GKEB COc1ccc(/C=C\C(=O)c2cccc(C(=O)/C=C/c3ccc(OC)cc3)c2)cc1 13402981 IPABLGMAPCTPSM-VRNBXGKJSA-N 398.458 5.496 30 40 GKEB O=C(NC1CCCCC1)c1c(/N=C\c2ccc(O)cc2)sc2c1CCCC2 18178664 GUUSQYMOLUEMNQ-UCQKPKSFSA-N 382.529 5.146 30 40 GKEB Cc1cc2c(cc1C)N[C@H](c1ccccc1Cl)C1=C(CC(C)(C)CC1=O)N2 18190065 RMBGQJMJDUUVDJ-JOCHJYFZSA-N 380.919 6.179 30 40 GKEB CC(C)(C)c1ccc(CSc2nc(N)c(C#N)c(-c3ccccc3)c2C#N)cc1 19805320 AIGWLVBWGWDHRB-UHFFFAOYSA-N 398.535 5.664 30 40 GKEB Cc1cc(/C=C2\S/C(=N\C3CCCCC3)N(C3CCCCC3)C2=O)c(C)n1C 33599538 MWLHXGOUMRNUTK-YACCPEJUSA-N 399.604 5.580 30 40 GKEB O=C1N/C(=N\c2ccccc2C(F)(F)F)S/C1=C\c1cccc2ccccc12 35647875 QAGQDEJNMADELM-PDGQHHTCSA-N 398.409 5.750 30 40 GKEB CCCCCCCn1c(COc2ccc(C(C)(C)C)cc2)nc2ccccc21 50704980 LSTYQKLTUJFWGI-UHFFFAOYSA-N 378.560 6.883 30 40 GKEB CCCCCCCCOc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1 98044716 BFWSABNUHRRFJG-UHFFFAOYSA-N 395.543 5.565 30 40 GKEB C/C(=N\n1c(S)nnc1-c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 103729561 NKTBGJSDUASTDP-LSFURLLWSA-N 397.718 5.466 30 40 GKEB COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1 408939422 MLZDFEZCSWUXSD-FIZBLTRDSA-N 380.491 6.272 30 40 GKEB C=CCc1cc(CNc2cc(C)ccc2C)cc(OC)c1OCc1ccccc1 409117239 QQFJFPJPXRNILQ-UHFFFAOYSA-N 387.523 6.232 30 40 GKEB Cc1cccc(/N=C/c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)c1C 409213548 PQKAVUSZNQFUJT-DHRITJCHSA-N 384.306 6.940 30 40 GKEB Cc1c(Cl)cccc1N/N=C(/C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 4175545 NSPANEOJIAEIHG-KQWNVCNZSA-N 397.847 5.020 30 40 GKEB CCCOc1c(Cl)cc(/C=N/NCc2ccccc2Cl)cc1OCC 8811935 ASSDYKZAZDWMRO-WSDLNYQXSA-N 381.303 5.305 30 40 GKEB Cc1ccc2[nH]c(-c3cccs3)c(CCC(=O)Nc3ccccc3C#N)c2c1 9595294 PHJZNPYRMCPCBJ-UHFFFAOYSA-N 385.492 5.648 30 40 GKEB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)c1cccs1 12564716 RMNYCESKDIXNLM-OUKQBFOZSA-N 396.471 6.243 30 40 GKEB CN1C/C(=C\c2cccc3ccccc23)C(=O)/C(=C/c2cccc3ccccc23)C1 20421259 OEDJFAJIJMSAON-MUPYBJATSA-N 389.498 5.975 30 40 GKEB CCCCCCCC(=O)Nc1ccc(C(=O)Nc2ccccc2OCC)cc1 100025459 AQSKXVHNJLXRSO-UHFFFAOYSA-N 382.504 5.637 30 40 GKEB N#Cc1c(-c2c(Cl)cccc2Cl)noc1/C=C/Nc1ccc(F)cc1F 100411640 RMOILXCEWVVXHG-VOTSOKGWSA-N 392.192 5.881 30 40 GKEB N#Cc1ccccc1-c1ccc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)o1 211508574 VKIMQRRZSWFBMP-ODLFYWEKSA-N 388.404 5.177 30 40 GKEB CCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)c(C#N)c1 225759060 LSTJFCRNIRJPMV-UHFFFAOYSA-N 376.500 5.496 30 40 GKEB Cc1cc(/C=N/c2ccccc2S)c(C)n1-c1ccc(Br)cc1 408786814 WGMKYTMHFIBQSK-CIAFOILYSA-N 385.330 5.896 30 40 GKEB CCCCCCCCCC(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)cs1 2086068 CFSKNIHHDYKYOF-UHFFFAOYSA-N 386.605 7.187 30 40 GKEB C=CCOc1ccc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1 2370262 JVFNRSJKBZZTSE-UYRXBGFRSA-N 381.522 5.274 30 40 GKEB C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1 2446252 NSIMGAUNOGQEHZ-UHFFFAOYSA-N 376.312 5.730 30 40 GKEB N#Cc1c(NC(=O)CSc2ccc(Cl)cc2)sc2c1CCCCC2 3294114 YDEBHYUEBIMILS-UHFFFAOYSA-N 376.934 5.273 30 40 GKEB N#Cc1ccc(-c2ccc(OC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)cc2)cc1 3297634 YNVOQFAVSPNITB-DEOSSOPVSA-N 399.446 5.002 30 40 GKEB O=C(/C=C/c1ccc(Br)cc1)c1c2ccccc2cc2ccccc12 4763058 IYUWZQNGPRTZQW-SDNWHVSQSA-N 387.276 6.652 30 40 GKEB CCCC/N=C1\S/C(=C\c2cccc(Br)c2)C(=O)N1CCCC 5552239 ZRZYSKLDGMOLPT-ISRZJSKBSA-N 395.366 5.322 30 40 GKEB C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@H](C)C3 5608051 QJXRTFUPLSQFDD-AWEZNQCLSA-N 382.554 5.240 30 40 GKEB Cc1ccc(C)c(/N=C/c2c(OCc3ccccc3F)ccc3ccccc23)c1 8367808 FIUXIFHCKTVQDF-LQKURTRISA-N 383.466 6.925 30 40 GKEB CC(C)c1ccc(C(=O)/C=C(O)/C(O)=C\C(=O)c2ccc(C(C)C)cc2)cc1 17063584 WKQHRMWIKFUUPP-NQGGHMMCSA-N 378.468 5.883 30 40 GKEB Cc1cc(C[C@](C)(C#N)c2cc(C)cc(C(C)(C)C#N)c2)cc(C(C)(C)C#N)c1 34866044 DSWIROKRYFYWHD-AREMUKBSSA-N 383.539 5.930 30 40 GKEB in-vitro Cc1ccc(NC(=O)CSc2nc3ccc(C(C)C)cc3cc2C#N)c(C)c1 35288886 MVKFFXGDVMRQPJ-UHFFFAOYSA-N 389.524 5.578 30 40 GKEB N#C[C@H](C(=O)[C@H]1C[C@@H]1c1ccccc1F)c1nc(-c2c(F)cccc2F)cs1 68349359 CBNMIMUINOTILX-HZSPNIEDSA-N 398.409 5.207 30 40 GKEB Fc1c(F)c(F)c(-c2ccc(-c3c(F)c(F)c(F)c(F)c3F)[nH]2)c(F)c1F 100818603 WECLCXKGESTKES-UHFFFAOYSA-N 399.187 5.740 30 40 GKEB N#Cc1c(/N=C/c2ccccc2[N+](=O)[O-])oc(-c2ccccc2)c1-c1ccccc1 100912844 CJSZUCRDLBECEE-WGOQTCKBSA-N 393.402 6.144 30 40 GKEB Cc1ccc(N=C2NC(=O)/C(=C/c3cccc4ccccc34)S2)cc1Cl 408739205 TXYDHERXYSABJW-ODLFYWEKSA-N 378.884 5.693 30 40 GKEB O=[N+]([O-])c1cc(F)ccc1-c1ccc(/C=N/Nc2nc3ccccc3s2)o1 409038177 UWQKMQWXYFLEPJ-KEBDBYFISA-N 382.376 5.050 30 40 GKEB CCC[N+](CC#Cc1ccccc1)(CC#Cc1cccc2ccccc12)CCC 1810836 GAXABDFCNUIAOM-UHFFFAOYSA-N 380.555 5.880 30 40 GKEB C=CCOc1cccc([C@@H](Nc2ccccn2)c2ccc3cccnc3c2O)c1 2470430 KIEUZMGIGVLZNF-JOCHJYFZSA-N 383.451 5.102 30 40 GKEB Oc1c(Cl)cc(Cl)cc1/C=N/Nc1ncnc2sc3c(c12)CCCC3 4155030 MHNMUYLLTIZKIE-QPJQQBGISA-N 393.299 5.029 30 40 GKEB O=C(/C=C/Nc1ccc(Nc2ccccc2)cc1)c1ccc(Cl)c(Cl)c1 4676038 JFGOXAKKBSTLTB-OUKQBFOZSA-N 383.278 6.546 30 40 GKEB O=[N+]([O-])c1cc2oc3c(c2c(/C=N/c2cccc4ccccc24)c1O)CCCC3 4824368 TTWBHQNHBBPFDD-ZMOGYAJESA-N 386.407 5.829 30 40 GKEB C=CCn1c(-c2ccc(C)cc2)cnc1SCC(=O)Nc1ccc(C)cc1 44085717 GCZDSLZDZCWHBI-UHFFFAOYSA-N 377.513 5.084 30 40 GKEB C=CCn1c(S[C@@H](C)c2cccnc2)nc2sc3c(c2c1=O)CC[C@H](C)C3 58109604 OTQIHQWLVJOKKM-KBPBESRZSA-N 397.569 5.017 30 40 GKEB CCCCCCCNCc1ccc(OCc2ccc(Cl)nc2)c(OC)c1 102565140 LYCIXCONFSHHGW-UHFFFAOYSA-N 376.928 5.383 30 40 GKEB CCCCc1ccc(/N=C/c2cc(Br)c(Br)o2)cc1 139495592 SSDPRGGHNGUGOW-VCHYOVAHSA-N 385.099 5.898 30 40 GKEB CC(C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)c(C#N)c1 225685366 WXEDDWZHHJXYRP-UHFFFAOYSA-N 382.891 5.449 30 40 GKEB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1C/C(=C\c1cccc(Cl)c1)C2=O 253530047 TXSSXZKDKQSEAN-LDYJHEOBSA-N 397.002 7.335 30 40 GKEB Cc1ccc(C(=O)/C=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 408692869 XGWVFXVJWLMAFN-KPKJPENVSA-N 397.301 6.777 30 40 GKEB CCCN1C(=O)/C(=C/c2ccc(Cl)cc2)S/C1=N/c1ccc(Cl)cc1 409076622 BGEMVEWQJLRKIR-UKUDRTMLSA-N 391.323 6.007 30 40 GKEB COC(=O)c1cccc(/N=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)c1 409242194 VHHRCJTZOUAYEQ-CVKSISIWSA-N 386.426 5.366 30 40 GKEB Cc1cc(/C=N/c2ccc(C(=O)O)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1 799766 DVODANHBZCKXPO-FOKLQQMPSA-N 387.266 5.850 30 40 GKEB CCc1nc(SCc2c(Cl)cccc2Cl)c(C#N)c2c1CCCC2 2700153 LJOHUVRZOVJLOD-UHFFFAOYSA-N 377.340 5.994 30 40 GKEB CC[C@@H]1CCc2c(sc(NC(=O)c3c(Cl)cccc3Cl)c2C#N)C1 4611738 ZGOWPPIWTWNJFC-SNVBAGLBSA-N 379.312 5.694 30 40 GKEB Cc1cc2c(cc1C)N[C@H](c1cc(Cl)ccc1O)C1=C(CC(C)(C)CC1=O)N2 5068857 FRDVZSMIAMUOEJ-JOCHJYFZSA-N 396.918 5.884 30 40 GKEB Cc1sc(N/N=C/c2cc(Br)ccc2O)nc1-c1ccccc1 6184759 SGGKZVHADHXURL-VXLYETTFSA-N 388.290 5.033 30 40 GKEB Brc1cc(/C=N/Nc2ccccc2)ccc1OCc1ccccc1 6223284 GMICXDAFSIVDMS-HYARGMPZSA-N 381.273 5.474 30 40 GKEB CCOc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCc1ccccc1Cl 6961572 YLVMVOZKBPGVGF-CVKSISIWSA-N 393.914 6.685 30 40 GKEB CCCCCCCCCCN/C(C)=C1\N=C(c2ccc(Cl)cc2)OC1=O 97944446 ZKRGAIQQCVRAAB-MNDPQUGUSA-N 376.928 5.605 30 40 GKEB COc1ccc(/N=C/c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1Cl 102926288 KWIVRKCHXYERDL-ZMOGYAJESA-N 399.277 6.005 30 40 GKEB CCCCCCCCCC[C@@H](O)CN1CCN(c2cccc(Cl)c2)CC1 104063955 VKMKPAZMLMPJSL-JOCHJYFZSA-N 381.004 5.354 30 40 GKEB CCCCCCCCCCCCCCCc1cc(OC)ccc1S(=O)(=O)O 104321778 GLIVXGZQUNGZCP-UHFFFAOYSA-N 398.609 6.576 30 40 GKEB CC1(C)COc2ccc(C(=O)/C=C/c3ccc(Cl)cc3Cl)cc2OC1 225372121 UNWZJNFKFKRARV-QPJJXVBHSA-N 377.267 5.687 30 40 GKEB C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(CCCC)cc3)c2C)C1=O 409066639 NQZMMGQFZLFWKF-RCCKNPSSSA-N 394.540 5.659 30 40 GKEB CC(C)=CCOc1ccc2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 5185906 QVCYBHYHDUQBRV-GRSHGNNSSA-N 375.251 5.955 30 40 GKEB Cc1ccc(/C=C2\S/C(=N\c3cc(C(F)(F)F)ccc3Cl)NC2=O)cc1 5376309 PALWWCJCNFUBSG-NVNXTCNLSA-N 396.821 5.559 30 40 GKEB CCOc1cc(/C=N/c2ccc(C)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 6961356 OPGMWVVOUYHSEI-BUVRLJJBSA-N 390.439 5.632 30 40 GKEB O=C1/C(=C/c2ccc3c(c2)OCO3)Oc2cc(OC/C=C/c3ccccc3)ccc21 8765010 TWWBHDKHGLHXPD-PPDLDXRUSA-N 398.414 5.124 30 40 GKEB biogenic CCCCCCOc1ccccc1/C=N/Nc1nc(-c2ccccc2)cs1 11992770 DXVWBTCYEDVKND-XQNSMLJCSA-N 379.529 6.215 30 40 GKEB Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2cccc(Cl)c2Cl)S1 59224335 JTMGCARIBMFQQA-AUWJEWJLSA-N 397.714 5.847 30 40 GKEB CCCCCCCCOC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12 102079635 GWOOLNSSZMGKNS-UHFFFAOYSA-N 395.930 7.073 30 40 GKEB CCCCCCCCOc1ccc(/C=N/Nc2nc3ccccc3s2)cc1 103012286 CGGRSUGERUKAOR-HAVVHWLPSA-N 381.545 6.482 30 40 GKEB C=CCOc1ccccc1/C=C1\SC(=S)N(c2ccc(OCC)cc2)C1=O 408535276 VOVOQQQIXCJIOC-RGEXLXHISA-N 397.521 5.056 30 40 GKEB COc1cc(/C=C/C(=O)c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 408625698 YXNZGCPAHUSCFI-UKTHLTGXSA-N 389.407 5.079 30 40 GKEB Cc1cccc(N=C2NC(=O)/C(=C/c3ccc(Sc4ccccc4)o3)S2)c1 408751802 CLLXAJAMKMFUPQ-AQTBWJFISA-N 392.505 5.631 30 40 GKEB Cc1cc(/C=N\c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 408857828 MTVCNZMXPQQLRL-JJFYIABZSA-N 397.818 5.105 30 40 GKEB O=C1C(=Cc2ccc(OCc3cccc4ccccc34)cc2)C(=O)c2ccccc21 408914617 RIGAWBYNQIOJTE-UHFFFAOYSA-N 390.438 5.881 30 40 GKEB CCCCc1ccc(/N=C/c2cc(C)n(-c3ccc(C(=O)O)cc3C)c2C)cc1 408915004 SYHIYGGAGUARJL-WGOQTCKBSA-N 388.511 6.194 30 40 GKEB Cc1cc(/C=N\Nc2ccc(C(F)(F)F)cc2)c(C)n1-c1cccc(F)c1 408933144 HWAPCNICYIBVBS-ROTLSHHCSA-N 375.369 5.698 30 40 GKEB Cc1cc(-c2ccc(C=C3C(=O)c4ccccc4C3=O)o2)ccc1Br 409129582 GTNRFGDTZNOGFT-UHFFFAOYSA-N 393.236 5.480 30 40 GKEB CCc1cc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccc1Cl 575243182 VYVNZTQDCXSLIC-UHFFFAOYSA-N 386.641 5.553 30 40 GKEB C=C1CC[C@H](O)C/C1=C\C=C1/CCC[C@@]2(C)[C@@H]1CC[C@@H]2[C@@H](C)/C=C/[C@H](C)C(C)C 584569301 MECHNRXZTMCUDQ-IHXWSISISA-N 396.659 7.641 30 40 GKEB N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCc1ccccc1 2277681 QZGIEXCZELGBCS-UHFFFAOYSA-N 378.500 6.580 30 40 GKEB CCCOc1ccc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CCC3)cc1 2458445 IMMBHBGOCNEOIO-RUZDIDTESA-N 384.479 5.697 30 40 GKEB COc1ccc(/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 2990488 TVMLAQDLYWEGBD-FYJGNVAPSA-N 393.355 5.055 30 40 GKEB Cc1ccc(/C=N/c2sc3c(c2C(=O)Nc2cccc(Cl)c2)CCCC3)o1 4554185 UVGQTYPYBKRSSC-FSJBWODESA-N 398.915 6.185 30 40 GKEB C=CCc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(OCC)c1OCC 4698987 MVMVSUFERQWMEM-QNGOZBTKSA-N 390.483 5.019 30 40 GKEB CC(C)CC(=O)C[C@@H](c1ccccc1)[C@H](C(=O)/C=C\c1ccccc1)C(C)C 5707132 GXELYPUYAMBBKI-XDGVYGEMSA-N 376.540 6.330 30 40 GKEB CCOc1nc2sc(C(=O)c3ccccc3)c(N)c2c(-c2ccccc2)c1C#N 8706708 AGOLYEKDDPCCGS-UHFFFAOYSA-N 399.475 5.047 30 40 GKEB CCCCCCCCCCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 28538115 MTYLJFSVEPZMIY-OAQYLSRUSA-N 386.536 5.201 30 40 GKEB biogenic Cc1cc(N/C=C/C(=O)c2ccc(Br)cc2)ccc1Br 44974939 KEIUYBHAIKSGCD-CMDGGOBGSA-N 395.094 5.329 30 40 GKEB Cc1cc2c(s1)CCCCCCCCCC/C2=N\Nc1ccc([N+](=O)[O-])cc1 100243447 IEXMKLQITKUQTO-DARPEHSRSA-N 399.560 6.848 30 40 GKEB CSc1ccc(/C=C2/S/C(=N/c3ccccc3)N(CC(C)C)C2=O)cc1 101423784 MWZLRJJMEDEAMQ-HNPUNDFXSA-N 382.554 5.669 30 40 GKEB Cc1cc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1NC(=O)c1ccco1 102422509 JZAFVFRCKNYTRO-SRZZPIQSSA-N 383.791 5.153 30 40 GKEB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccccc1F)C2=O 253497816 GEMAOHATSXXMSE-PELKXVINSA-N 394.530 5.712 30 40 GKEB N#Cc1c(/N=C\c2ccc(-c3ccc(F)cc3F)o2)sc2c1C1CCN2CC1 408605929 ZHYARFKIYJVCPX-GATIEOLUSA-N 395.434 5.606 30 40 GKEB FC(F)(F)C(F)(F)C(F)(F)N/N=C\c1cccc(Oc2ccccc2)c1 409035958 UVRWLVGAPZVZIT-VROXFSQNSA-N 380.263 5.193 30 40 GKEB Cc1cc(C(=O)O)ccc1/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1 409067299 CGRRUYXLRDTALG-YDZHTSKRSA-N 381.884 6.248 30 40 GKEB Cc1sc(-n2c(C)cc(/C=C3/C(=O)N(C)c4ccccc43)c2C)c(C#N)c1C 409204699 IKLZUKDHIYENQG-YBFXNURJSA-N 387.508 5.161 30 40 GKEB CC1(C)CC(=O)C2=C(C1)c1cc3ccccc3cc1N[C@H]2c1ccc2c(c1)OCO2 793768 BTGXDGANSHWTGI-VWLOTQADSA-N 397.474 5.878 30 40 GKEB CCCCCCOc1cc(C#N)c(OCCCCCC)cc1Br 2179656 UXNOMDWRRHKAOY-UHFFFAOYSA-N 382.342 6.239 30 40 GKEB Clc1ccc(CO/N=C/c2ccc(OCc3ccccc3)cc2)c(Cl)c1 3328880 LDLYOVIGKKGWMB-ZMOGYAJESA-N 386.278 6.123 30 40 GKEB CCC[C@H]1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2ccccc2C)C1=O 5738720 OHQOLFYVGAZDOH-YGAJUMRDSA-N 399.947 5.283 30 40 GKEB CCCOc1c(Br)cc(/C=N/c2ccc(C)cc2C)cc1OCC 6880632 XJNGJVAALSJPHX-LPYMAVHISA-N 390.321 6.004 30 40 GKEB O=C(c1ccc(F)cc1)c1cc(Br)ccc1/N=C/c1ccc(O)cc1 6888994 ZMNPOWPSGUJJKS-FSJBWODESA-N 398.231 5.275 30 40 GKEB COc1ccc(/N=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1 8116369 XEEMUPIGAGDYKO-JVWAILMASA-N 385.438 6.317 30 40 GKEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(C(C)C)cc1 13635120 GYLFTRFCTUXMLM-QFIPXVFZSA-N 387.483 5.178 30 40 GKEB Cc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)oc2c1C(=O)CCC2 40134081 FPYVXTOCLFTDFY-LJQANCHMSA-N 384.435 5.015 30 40 GKEB CO/N=C/C(=C\Nc1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl 100334396 VFNLPRLPMYKEEU-HVZUOJBUSA-N 390.192 5.492 30 40 GKEB C=CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccccc1C 100500435 GMGHVBIXXINGGQ-QHQVFXOCSA-N 393.537 5.155 30 40 GKEB Cc1ccc2nc(-c3ccc(C)c(/N=C/C=C/c4ccc([N+](=O)[O-])cc4)c3)oc2c1 100503045 CYDABQWPEBMBQZ-DFJXIDDLSA-N 397.434 6.436 30 40 GKEB CCCCCCCOc1ccc(/C=C2\N=C(c3cccc(C)c3)OC2=O)cc1 101412160 TUTSGPHHAARZLU-XLNRJJMWSA-N 377.484 5.689 30 40 GKEB O/N=C1C(=C\c2ccc(Cl)cc2)\CCC[C@@H]\1[C@H](NO)c1ccc(Cl)cc1 104283749 UBTZIGTZUQCBSM-GVXLXYNESA-N 391.298 5.727 30 40 GKEB O=C(O)c1ccc(COc2ccccc2/C=N\c2ccc(Cl)cc2O)cc1 408960438 LSRYZQKYWXJIDZ-FMCGGJTJSA-N 381.815 5.073 30 40 GKEB CCN(CC)c1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 409092532 WVLFZJOYNBBHSJ-PMFZIYJTSA-N 393.600 6.368 30 40 GKEB CC(C)C[C@H]1CC(=O)Oc2ccc3c(c21)O/C(=C/c1ccc(C(C)C)cc1)C3=O 1081803601 JFSROBHDDNXKNU-IUOVYFEOSA-N 390.479 5.865 30 40 GKEB CCOC(=O)CO/N=C(/c1cc2ccccc2o1)C1CC(C)(c2ccccc2)C1 6891782 ROOODQNDQTYRNB-WJTDDFOZSA-N 391.467 5.085 30 40 GKEB Cc1ccc(C)c(/N=C/c2ccc(OS(=O)(=O)c3ccccc3)c(Cl)c2)c1 8368051 BYZQADCRSBFEFQ-OEAKJJBVSA-N 399.899 5.475 30 40 GKEB COc1cccc(COc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)c1 11865115 NFLNFAZMDQFIDG-UUYOSTAYSA-N 392.838 5.544 30 40 GKEB N#CCc1ccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 20047239 QONZZCPVBUPZNI-UHFFFAOYSA-N 388.492 5.176 30 40 GKEB Oc1cc(/N=N/c2ccccc2)ccc1/C=N/N=C1/C[C@H](c2ccccc2)N=N1 57537127 GKBOKPIRBDNFBV-XGGLOVQASA-N 382.427 6.137 30 40 GKEB Cc1cc(Cl)ccc1/N=C\c1ccc(/C=N/c2ccc(Cl)cc2C)cc1 104187509 INRUPKNLUGMVIP-KGRJIBJCSA-N 381.306 7.111 30 40 GKEB C=CCSc1ccccc1C(=O)Nc1ccccc1C(=O)N1CCCCCC1 219808409 BDHBFJDAAWNEHG-UHFFFAOYSA-N 394.540 5.233 30 40 GKEB Clc1ccccc1COc1cccc(/C=N/Nc2nc3ccccc3[nH]2)c1 409178771 ONAHEEXDZKATHP-YDZHTSKRSA-N 376.847 5.241 30 40 GKEB Cc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1C 409215580 BPUZJGPYKCEONX-DHRITJCHSA-N 384.306 6.940 30 40 GKEB O=C(Oc1ccc(/C=N/c2cccc(C(F)(F)F)c2)cc1)c1cccs1 1086642 GUDZXBFUZWQQKA-FSJBWODESA-N 375.371 5.737 30 40 GKEB C#CCN1C(=O)S/C(=C\c2ccc(OCc3cccc4ccccc34)cc2)C1=O 1151527 WZMBZFIXLIWRBH-JCMHNJIXSA-N 399.471 5.088 30 40 GKEB N#C[C@H](c1ccccc1)c1nc2cc(Cl)c(Cl)cc2nc1C(F)(F)F 1389998 UDMZOHBYSQKRPJ-SNVBAGLBSA-N 382.172 5.611 30 40 GKEB O=C(/C(=N\N=C\c1c(O)ccc2ccccc12)c1ccccc1)c1ccccc1 1727223 HDARXOBQELQFES-WTNXXJEQSA-N 378.431 5.252 30 40 GKEB CSc1ccc([C@H]2Sc3ccccc3NC3=C2C(=O)c2ccccc23)cc1 2426130 LPEGACJKSZRARZ-HSZRJFAPSA-N 387.529 6.275 30 40 GKEB Oc1c(Cl)cc(Br)cc1/C=N/c1ccc2c3c(cccc13)CC2 3066585 RTWJQKGSOJMZEJ-LSHDLFTRSA-N 386.676 5.811 30 40 GKEB N#C/C(=N\Nc1ccc(F)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 4175427 CKDDFIAIMIARSL-SGWCAAJKSA-N 398.466 5.956 30 40 GKEB CC(C)(C)c1ccc(/C=C(\C(=O)c2cccnc2)c2nc3ccccc3o2)cc1 5839590 LBWFQDJPFLZZRI-HMMYKYKNSA-N 382.463 5.944 30 40 GKEB Cc1c(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cccc1[N+](=O)[O-] 6254644 HFDLAIIQAMPHJM-ZDUSSCGKSA-N 397.500 5.240 30 40 GKEB Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)c(C)c1 8368587 OOPPUCPPVWQXHM-ZMOGYAJESA-N 394.858 6.195 30 40 GKEB Cn1cc(/C=C2/Oc3cc(OCc4ccc(F)cc4)ccc3C2=O)c2ccccc21 8992986 IEZASMWCAHFEIV-WYMPLXKRSA-N 399.421 5.513 30 40 GKEB CC(=O)N(c1nc(/C=C/C(=O)c2ccccc2)cs1)c1c(C)cccc1C 12805242 YLTQYBKEQMDZJR-OUKQBFOZSA-N 376.481 5.341 30 40 GKEB C/C(=C\C(=O)c1ccc(Br)cc1)Nc1ccc(Cl)c(Cl)c1 32100505 WTQVXVXZRGIWKW-CSKARUKUSA-N 385.088 5.955 30 40 GKEB Cc1ccc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1 36245403 IKKDEKJOTRYZJH-WMOWQXFYSA-N 384.504 5.799 30 40 GKEB C=CCOc1ccc(/C=C2\C(=O)Nc3cc(Cl)ccc32)cc1Br 96662894 DLIDPIYDKHKTEI-ZSOIEALJSA-N 390.664 5.160 30 40 GKEB CCCCCCCCCCC[C@@H](O)CC(=O)[C@@H](CCCCCC)C(=O)OC 97978734 LCYXCWLJSOHFFX-NHCUHLMSSA-N 384.601 5.987 30 40 GKEB in-vitro CC(C)C(/N=N/c1ccc(Br)cc1)=N\Nc1nc2ccccc2o1 101063718 CLTHRFMWPJNGNT-NREFBKHKSA-N 386.253 5.756 30 40 GKEB N#Cc1cn(C(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2ccccc12 226362418 MGCQPEJONXKIFK-ZRDIBKRKSA-N 383.363 5.035 30 40 GKEB CCCCCCCCCCOc1ccc(C=Nc2ccc(CCCC)cc2)cc1 299888522 MSABKRNOGDWYAE-UHFFFAOYSA-N 393.615 8.299 30 40 GKEB Fc1ccc(COc2ccccc2/C=N/Nc2ccc(C(F)(F)F)cn2)cc1 409094551 DRBUTSZYZXPIIU-KBKYJPHKSA-N 389.352 5.265 30 40 GKEB C=CCc1cc(CNc2ccccc2)cc(OCC)c1OCc1ccccc1F 409110852 ZCCBPSNDLHBTLW-UHFFFAOYSA-N 391.486 6.144 30 40 GKEB C[C@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)C1(O)C#Cc1ccccc1 4133153 JVERHSPATOGMGT-KCXKOMAXSA-N 381.519 5.127 30 40 GKEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(-c3cccc(Br)c3)o2)cc1 4577647 YYJOLWWOHDDRNF-YBFXNURJSA-N 386.205 5.063 30 40 GKEB Cc1ccc(/C=C2\S/C(=N/c3cccc(C(F)(F)F)c3)N(C)C2=O)cc1 4649380 DXVMHNVYAKISJL-WZZJWJHMSA-N 376.403 5.248 30 40 GKEB CCOc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(Cl)cc1 4740358 XGBYBQAXVDOLRX-IHCIQGKHSA-N 382.891 5.492 30 40 GKEB CCCCC[C@H](/C=N\N=C1c2ccccc2-c2ccccc21)Cc1ccccc1 5031721 GMIJPKCLNGTASU-DXSHVULOSA-N 380.535 6.929 30 40 GKEB C=CCN(C(=O)C1CCC1)c1nc(-c2ccc(OC)c3ccccc23)cs1 6580632 GSSMAPXKDWPFPJ-UHFFFAOYSA-N 378.497 5.291 30 40 GKEB CCOc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc(C)cc2)cc1 6962380 CIWMBRIGCSMROW-MFKUBSTISA-N 379.887 6.377 30 40 GKEB CCOc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 6962529 BJJDZCOKOIEOFK-MFKUBSTISA-N 395.886 6.077 30 40 GKEB Cc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)cc1 12652233 ZFMNNFWNWPSLHG-XMMPIXPASA-N 398.462 5.409 30 40 GKEB Cc1nn(-c2ccccc2)c2c1[C@@H](C)C1=C(C[C@@H](c3cccs3)CC1=O)N2 18197820 MMUZTYCZLMLMFX-UKRRQHHQSA-N 375.497 5.172 30 40 GKEB CCCCCC/C=C/CCCCCCCCC(=O)c1cccc(OC)c1OC 104272869 WKMIZTKNDGODPV-MDZDMXLPSA-N 388.592 7.534 30 40 GKEB CCc1cccc(C)c1-n1c(C)cc(/C=N/c2cc(C(=O)OC)ccc2C)c1C 166039566 PHBQXBPLWOAMHK-CVKSISIWSA-N 388.511 5.811 30 40 GKEB Cc1cc(/C=N/c2cccc(Br)c2)c(C)n1-c1cccc(Cl)c1 408762206 NPRBYNFFLUNRIQ-WSDLNYQXSA-N 387.708 6.261 30 40 GKEB Cc1cc(/C=N\c2cccc(Cl)c2Cl)c(C)n1-c1ccc(Cl)cc1 408775606 JBNDOWSFIBSLBD-KSEXSDGBSA-N 377.702 6.805 30 40 GKEB CC(C)/N=C1\S/C(=C/c2c3ccccc3cc3ccccc23)C(=O)N1C(C)C 409215331 ZBAWBLJVJMIKQY-QMSJJHEMSA-N 388.536 6.082 30 40 GKEB CCc1ccc(OCCCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 1773462 FHSNXVYYTLWBFY-OAHLLOKOSA-N 382.529 5.105 30 40 GKEB Cc1cc2nc(-c3cccc(/N=C/C=C/c4ccc([N+](=O)[O-])cc4)c3)oc2cc1C 2807379 JSMWFDMXCPWHOT-VMOZZEIESA-N 397.434 6.436 30 40 GKEB C=CCOc1ccc(/C=C2\C(=O)Nc3ccc(Cl)cc32)cc1Br 8427688 MQHWRQGVPLPBLF-ZSOIEALJSA-N 390.664 5.160 30 40 GKEB O=C(Oc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O)c1ccccc1Cl 13777302 XXNSXACJYAEMLF-JAIQZWGSSA-N 394.785 5.315 30 40 GKEB c1ccc(N/N=C2/CCCC[C@]23C[C@H]2CCCCC2=NN3c2ccccc2)cc1 31948279 ZWMBAKDHUIYDKE-TVXJUXJWSA-N 386.543 6.224 30 40 GKEB CC(=O)c1ccc(/N=C(\C)c2c(O)c3ccccc3n(-c3ccccc3)c2=O)cc1 100643613 LQQGJFYWTTWKSN-WGOQTCKBSA-N 396.446 5.040 30 40 GKEB C=CCn1c(-c2ccccc2)cs/c1=N\c1ccc(/N=N\c2ccccc2)cc1 100840965 WNPQZMUQUVPQNJ-OUYNTLDRSA-N 396.519 7.050 30 40 GKEB CC(C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1C#N 225762766 LZXFXUKLCZJQBA-UHFFFAOYSA-N 380.463 5.325 30 40 GKEB C=CCc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(OC)c1OCC 408815052 RJQZMDHOTGYZKI-RGEXLXHISA-N 395.480 5.063 30 40 GKEB CC(C)c1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1 408938450 QSXUORRBUWYXHW-OZQWKOQFSA-N 392.546 7.387 30 40 GKEB C=CCn1c(C)c(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2cccc(C)c21 409037663 UFCXPLJKZQHVQM-MWYAZZEHSA-N 395.322 5.158 30 40 GKEB N#Cc1ccc(-c2ccc(OCC(=O)Nc3cccc(Cl)c3Cl)cc2)cc1 703882 IPRDHJQMCZTHJL-UHFFFAOYSA-N 397.261 5.550 30 40 GKEB Cc1cc(O)c(/C=N/c2ccc(-c3nc4ccccc4o3)c(O)c2)c(C)c1Cl 864797 FZGUPAMOIZWRTC-BHGWPJFGSA-N 392.842 5.927 30 40 GKEB COc1ccc(/C=N/c2ccc(I)cc2)c2ccccc12 1087168 GUXRVJWJFFQTNB-UDWIEESQSA-N 387.220 5.204 30 40 GKEB COc1cccc(/C=N/Nc2nc(-c3ccccc3Cl)nc3ccccc23)c1 4828344 BTAKIESSNMIRRE-ZVHZXABRSA-N 388.858 5.405 30 40 GKEB C/C(=N/Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1OC(F)F 6021715 QBAZLWZFRNBFMF-AQHIEDMUSA-N 378.728 5.796 30 40 GKEB Cc1ccc(-n2c(C)cc(/C=N/Nc3nc4ccccc4n3C)c2C)cc1Cl 7343446 NPNICLZPCJTYNT-ZMOGYAJESA-N 391.906 5.389 30 40 GKEB Cc1nc(N/N=C/c2cccc(OCc3cccc4ccccc34)c2)sc1C 8332948 MLQVYXRAQQFZSF-ZVHZXABRSA-N 387.508 5.938 30 40 GKEB CCN(CC)Cc1c(O)ccc2c1O/C(=C\c1c(Cl)cccc1Cl)C2=O 13656145 KJOWMCRJECNNEU-ZDLGFXPLSA-N 392.282 5.157 30 40 GKEB CCc1ccc2c(c1)/C(=N/Nc1nc(-c3ccc(Cl)cc3)c(C)s1)C(=O)N2 13857154 RLFZABXSYFOWBS-UHFFFAOYSA-N 396.903 5.103 30 40 GKEB O=C1/C(=N\Nc2ccc(Cl)cc2)[C@@H](Cc2ccccc2)CN1C1CCCCC1 100401570 BJDAXHJNEWSEHZ-ZZNYDNHMSA-N 395.934 5.142 30 40 GKEB O=[N+]([O-])c1ccc(/C=C/C=N/c2ccc3oc(-c4ccccc4F)nc3c2)cc1 100505826 KRQGRPXMPSRDFF-CGIFWJFOSA-N 387.370 5.958 30 40 GKEB CCCCCCCCCCCCCCCCCC(=O)N(C)CC(=O)OCC 100921904 GXGFJTVPQIMWIG-UHFFFAOYSA-N 383.617 6.269 30 40 GKEB CCCCCCCCCCCC(=O)OCCOCCN(CCCC)CCCC 100923554 JPHNOTZLWITZMQ-UHFFFAOYSA-N 399.660 6.369 30 40 GKEB C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2cccs2)S/C1=N\c1ccccc1 408868775 BGTDDASQEUGZTG-ZBJKJOAESA-N 382.554 5.931 30 40 GKEB COc1cc(/C=N\Nc2ccc(C(F)(F)F)cc2)cc(Cl)c1OC(C)C 408938007 RKXGOXLYBKBZGT-RMORIDSASA-N 386.801 5.601 30 40 GKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N\c3ccc(Cl)cc3O)c2C)c1 408966955 OFXDNNOFZKPAKJ-CFRMEGHHSA-N 396.874 5.380 30 40 GKEB COC(=O)c1ccc(Cl)c(/N=C/c2cccn2-c2ccc(C)c(Cl)c2)c1 409009400 FHBDXOVFRLMPBU-FSJBWODESA-N 387.266 5.630 30 40 GKEB O=C(/C=C/Nc1ccc(Br)cc1Br)c1ccccc1 409057447 QERGNXUGWLJOPK-CMDGGOBGSA-N 381.067 5.020 30 40 GKEB C=CCOc1ccc(Br)cc1/C=C1\Sc2ccccc2NC1=O 409102699 TUGKQGPKDUKOQG-BOPFTXTBSA-N 388.286 5.099 30 40 GKEB C=CCc1cc(CNc2ccccc2)cc(OCC)c1OCc1ccc(F)cc1 409112138 FCCCWOFDCJJRNU-UHFFFAOYSA-N 391.486 6.144 30 40 GKEB Cc1cccc(C)c1NC(=O)[C@H](C#N)Cc1cc2c(C)ccc(C)c2nc1Cl 883114 AMIYONDZTRWRBL-SFHVURJKSA-N 391.902 5.443 30 40 GKEB N#CC(c1ccccc1)(c1ccccc1)C(C#N)(c1ccccc1)c1ccccc1 1675363 HHDUQHBAZZHUDC-UHFFFAOYSA-N 384.482 6.006 30 40 GKEB Sc1nnc(-c2ccc(Cl)cc2)n1/N=C\c1c(Cl)cccc1Cl 2588966 LEFPZYTXRPRXEN-UWVJOHFNSA-N 383.691 5.076 30 40 GKEB Cc1ccc2oc(-c3ccc(/N=C/c4ccc(Br)cc4)cc3)nc2c1 3099218 ONYVKTBAPKGXGR-YDZHTSKRSA-N 391.268 6.316 30 40 GKEB CC(C)c1ccc(N/N=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 4175453 ISHHMDYPSTWPNM-BWAHOGKJSA-N 380.904 5.927 30 40 GKEB C[C@@H](C#N)OC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(F)cc1)CCC2 6058493 VLJTYITVMGWZEF-XOAFGZPJSA-N 386.426 5.320 30 40 GKEB CCOc1ccc(/C=C2\Oc3cc(OC/C=C/c4ccccc4)ccc3C2=O)cc1 13682096 CYXAIATZODNJTI-ZWVOBYKJSA-N 398.458 5.794 30 40 GKEB CN1/C(=C\C=N\Nc2c(Cl)cc(Cl)cc2Cl)C(C)(C)c2ccccc21 18080739 RKIBYYFVJZZRHD-DZFSZNFNSA-N 394.733 6.356 30 40 GKEB Cc1ccc(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)c(C)c1 24755377 DOIWDQGOWPPKNI-KRWDZBQOSA-N 378.522 5.396 30 40 GKEB CC(C)=NNc1nc2cc(C)c(NC(=O)c3ccc(C(C)C)cc3)c(C)c2s1 72228589 YMTRBHCPIWTWRC-UHFFFAOYSA-N 394.544 6.097 30 40 GKEB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](C(=O)/C=C/O)[C@@]4(C)CC[C@@H]32)C1 118932666 AAUWZCZUOUFZBD-LFUYNKRNSA-N 386.532 5.138 30 40 GKEB Cc1ccc(C2(C(=O)Nc3ccc(OCC(C)C)c(C#N)c3)CCCC2)cc1 225680392 NOWQRXKUGVCDDU-UHFFFAOYSA-N 376.500 5.352 30 40 GKEB CCCCCCCCCCCCNC(=O)C(=O)Nc1ccc(C(C)(C)C)cc1 408707733 DBJLWBHIQICGRC-UHFFFAOYSA-N 388.596 5.960 30 40 GKEB Cc1cc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1C(C)(C)C 409098990 RXJSPMUQZMOQRK-LSHDLFTRSA-N 382.386 5.233 30 40 GKEB Cc1ccc(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)s1 409298864 PSNSIVXYDKNEAU-UHFFFAOYSA-N 385.448 5.062 30 40 GKEB Fc1cc(C(F)(F)F)cc(F)c1Oc1ccc(Br)c(F)c1F 1504250477 RNWSTFGWBXCAQL-UHFFFAOYSA-N 389.064 5.817 30 40 GKEB S=C(N/N=C/C=C(\Cl)c1ccc(Cl)cc1)Nc1ccccc1Cl 2243776 YFADJEZZJSEKLP-AXIITOQOSA-N 384.719 5.546 30 40 GKEB CCOc1ccc2c(c1)C(=NNc1ccc(F)cc1F)c1cc(OCC)ccc1-2 4524331 ASUGYDPQIBROAB-UHFFFAOYSA-N 394.421 5.607 30 40 GKEB COc1ccc([C@H]2C[C@H]2/C(C)=N/OC(=O)c2c(Cl)cccc2Cl)cc1 12350541 XRJJONMYLWJZHS-RAVCNUTFSA-N 378.255 5.338 30 40 GKEB C/C(=N/Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc(O)cc1 13714102 BIQXVJNXYOMZEJ-FBHDLOMBSA-N 378.284 5.659 30 40 GKEB O=C1/C(=C/c2ccccc2)CCC[C@@]12[C@@H](c1ccccc1)N2Cc1ccccc1 17142043 KHURGIKVMGDILD-IVAIRBMCSA-N 379.503 5.819 30 40 GKEB Cc1ccc2c(Cl)c(/C(O)=N/c3nc(-c4ccccc4)ns3)sc2c1 27794120 MLOUPBDHVBDWPL-UHFFFAOYSA-N 385.901 6.018 30 40 GKEB N#CCN(Cc1ccccc1)C(=O)c1sc2cc(Cl)ccc2c1Cl 60020197 JIGVQGVJHVUGLO-UHFFFAOYSA-N 375.280 5.374 30 40 GKEB CCCCCCC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103530566 LYBYCUKNQFGBND-CMDGGOBGSA-N 394.268 7.007 30 40 GKEB CCCCCCCCCCCCC/C=C/C(F)(F)C(F)(F)C(F)(F)F 103530949 ZEWSFTJMWAQHON-CCEZHUSRSA-N 378.416 8.077 30 40 GKEB COc1cc(C#N)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 226364167 ULNMBVSODWXECF-UHFFFAOYSA-N 387.060 5.215 30 40 GKEB CCOc1c(OC)cc(C#N)cc1C(=O)Nc1ccc(Oc2ccccc2)cc1 408581979 KLANASUBUHRNJL-UHFFFAOYSA-N 388.423 5.010 30 40 GKEB COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2ccc(Cl)cc2Cl)S1 408874213 ZZRQVCYWAYZPIF-PXNMLYILSA-N 393.295 5.202 30 40 GKEB CCCN1C(=O)/C(=C\c2cn(C)c3ccccc23)S/C1=N\c1ccccc1 408910698 IYQNPFRSIRCOLZ-QNQNADBQSA-N 375.497 5.192 30 40 GKEB C1=C[C@@H]2c3ccccc3N[C@@H](c3ccc(/N=C/c4ccc5c(c4)OCO5)cc3)[C@H]2C1 408938419 QJNJCZMFDYLSAR-VWIUVDEASA-N 394.474 5.992 30 40 GKEB C/C(=N\Nc1nc(-c2ccccc2)c(C)s1)c1cccc(C2CCCCC2)c1 408963407 BMHPFASHYDTLEZ-YZSQISJMSA-N 389.568 7.002 30 40 GKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccccc3OC)c2C)c1 408966637 MOWLMVBYQKYQSO-BUVRLJJBSA-N 376.456 5.030 30 40 GKEB COC(=O)c1cccc(/N=C\c2ccc(-c3ccc(C)cc3Br)o2)c1 409249838 PEBZFCBORMPQEN-UUYOSTAYSA-N 398.256 5.555 30 40 GKEB N#Cc1c(/N=C/c2ccc(-c3cccc(C(=O)O)c3)o2)sc2c1CCCC2 809161 FDFMVUVIGFNELB-FSJBWODESA-N 376.437 5.207 30 40 GKEB COc1ccc(/C=C2\CCc3ccccc3C2=O)cc1COc1ccccc1F 985693 OXRXVUMTZFLYAO-XMHGGMMESA-N 388.438 5.626 30 40 GKEB C=CCSc1c(Cc2ccccc2)c(C)nc2c(-c3ccccc3)c(C)nn12 2426815 DONBYCIXZOXZKQ-UHFFFAOYSA-N 385.536 5.882 30 40 GKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3cc4ccccc4s3)c2C#N)C1 3669128 WTWXXGGPERGDMH-MMTYYTLLSA-N 378.566 6.736 30 40 GKEB O=C(/C=C/c1cccc2ccccc12)c1ccc(OC(=O)c2cccs2)cc1 4118242 ZFKKCGFAMRHOSB-NTCAYCPXSA-N 384.456 6.017 30 40 GKEB CCN(CC)c1ccc(/C=N/c2sc3c(c2C#N)CCCC3)cc1[N+](=O)[O-] 5393343 JZTGWKSJFBOVBG-LPYMAVHISA-N 382.489 5.004 30 40 GKEB COc1ccc(C(=O)/C=C/c2ccccc2OCc2ccccc2Cl)cc1 7939526 SHPYFMYQDOXVGN-NTCAYCPXSA-N 378.855 5.824 30 40 GKEB C[C@@H](Sc1ccc(Cl)c(C(F)(F)F)c1)C(=O)NC1(C#N)CCCCC1 8153674 REQSCMOMDONJCY-LLVKDONJSA-N 390.858 5.182 30 40 GKEB Cc1ccc(/N=C/c2ccc(OCc3cccc4ccccc34)c(Cl)c2)c(C)c1 8368666 OSQJKFVZFMIVOZ-LQKURTRISA-N 399.921 7.440 30 40 GKEB CC(C)CC(=O)C1=C(N)[C@@H]2C(c3ccccc3)=CC(c3ccccc3)=N[C@H]2S1 95117476 OTSZEYQCHPHPKW-URXFXBBRSA-N 388.536 5.048 30 40 GKEB CC(C)C1=C[C@]23CC[C@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@@H]1[C@H](C#N)[C@@H]3C#N 104371870 ASMKAMXVVIUEAB-MPXOGVEQSA-N 380.532 5.176 30 40 GKEB CCOc1c(OC)cc(C#N)cc1C(=O)Nc1ccccc1Oc1ccccc1 408582461 OFVAGFRYYUKFDE-UHFFFAOYSA-N 388.423 5.010 30 40 GKEB Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1cc(Cl)ccc1Cl 408912994 JFUWRKDGLXXANH-UHFFFAOYSA-N 396.273 5.864 30 40 GKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(C)c(OC)c2)C(=O)N1CC 408916152 VGDKMTHKOPYHNU-QNQNADBQSA-N 380.513 5.190 30 40 GKEB Fc1ccccc1COc1ccc(Br)cc1/C=N/c1ccccc1 409217039 QYZTXPGYXYYFNG-YDZHTSKRSA-N 384.248 5.918 30 40 GKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@H]2c1ccc([N+](=O)[O-])cc1 1441347 DVIFPBLFBQYOIO-OAQYLSRUSA-N 399.450 5.344 30 40 GKEB Cc1ccccc1-c1nc2cc(/N=C/C=C/c3ccc([N+](=O)[O-])cc3)ccc2o1 1884834 FMNBUMCAHWCXNE-UNURKUBWSA-N 383.407 6.127 30 40 GKEB COc1ccc(/N=C/c2c(O)c(C(C)(C)C)cc3oc4c(c23)CCCC4)cc1 2290195 PLJGRDAPIYVLIO-AFUMVMLFSA-N 377.484 6.074 30 40 GKEB COC(=O)c1ccc(/C=N/c2ccc(-c3nc4cc(C)ccc4s3)cc2)cc1 3087842 XPQKONOZLXNJAM-ZVHZXABRSA-N 386.476 5.809 30 40 GKEB CC1(C)CC(=O)C2=C(C1)Nc1c(ccc3ncccc13)[C@H]2c1ccc2c(c1)OCO2 4037138 CRZAPZBQRVDCRX-JOCHJYFZSA-N 398.462 5.164 30 40 GKEB CCc1ccc(/C=C2\S/C(=N\c3cccc(C(F)(F)F)c3)NC2=O)cc1 5551610 ISMYZRCKNNORPY-YBEGLDIGSA-N 376.403 5.159 30 40 GKEB CCCCOc1ccc(C(=O)/C=C/Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 44843284 QPDSQJDSNKZRQH-ZHACJKMWSA-N 397.824 6.346 30 40 GKEB Cc1ccc(/C=N/c2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 59463653 LAAUZKZVPYVIJD-BUVRLJJBSA-N 399.475 6.444 30 40 GKEB O=C1C(c2ccccc2)=C(NC2CCN(Cc3ccccc3)CC2)c2ccccc21 101093562 XISSICHVMIQROT-UHFFFAOYSA-N 394.518 5.005 30 40 GKEB CCCCCCCCCCCCOc1ccc(/C=N/c2ccc(C)cc2)cc1 104149533 ICXAHLHYIPLYOQ-HPNDGRJYSA-N 379.588 8.045 30 40 GKEB N#Cc1ccc2c(ccn2C(=O)c2cccc3c(Br)cccc23)c1 226368309 OEZGQTWJWWQSBG-UHFFFAOYSA-N 375.225 5.117 30 40 GKEB Cc1ccc(Cn2cc(/C=N/OCc3ccccc3C#N)c3ccccc32)cc1 408595582 XLAINEWCNXWFRO-JFLMPSFJSA-N 379.463 5.420 30 40 GKEB COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(C(C)C)cc2)S1 408866919 HKBDYQGBRSXMOE-ZDLGFXPLSA-N 386.904 5.364 30 40 GKEB C#CCOc1ccccc1/C=N/c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 409092504 WMWPXOZFRGAQQH-SCELWYEFSA-N 376.525 5.533 30 40 GKEB Cc1ccccc1Oc1ccc(/N=C/c2ccc(N3CCOCC3)c(F)c2)cc1 409122936 CXDZGVIRQPEHFR-YZSQISJMSA-N 390.458 5.514 30 40 GKEB Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc(C(=O)O)cc2)cc1C 409212386 LSRWUGFNENCJLK-DHRITJCHSA-N 393.870 5.985 30 40 GKEB Fc1ccc(COc2ccc(/C=N/N=C(\S)Nc3ccccc3)cc2)cc1 1969717 ZWEZPCRJJTXFPO-OEAKJJBVSA-N 379.460 5.137 30 40 GKEB CCC[C@@H]1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2ccc(F)cc2)C1=O 2360059 IRFCVDGQBCNITL-VBFAIDSNSA-N 397.519 5.077 30 40 GKEB Cc1cccc(/N=C/c2c(O)c(C(=O)Nc3ccccc3)cc3ccccc23)c1 3067683 PCFKLGXAMNKVJD-WGOQTCKBSA-N 380.447 5.857 30 40 GKEB CCC[C@H]1S/C(=N/N=C/c2ccco2)N(Cc2cccc3ccccc23)C1=O 4898490 PWVKRDRWQVOXOX-ZNVYLOEZSA-N 391.496 5.067 30 40 GKEB CC1(C)CC2=NC3=C(C(=O)c4ccccc43)[C@@H](c3cccc(Cl)c3)C2=C(O)C1 18066463 NNXUNPKFZOWYSL-IBGZPJMESA-N 389.882 6.118 30 40 GKEB CN(C)c1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 33377775 JGIIIUTVNJGISY-UFFVCSGVSA-N 391.327 5.629 30 40 GKEB C=CCOc1ccccc1/C=C1/SC(=S)N(c2ccccc2CC)C1=O 35039143 VPYSTFVEEHAGMJ-XMHGGMMESA-N 381.522 5.220 30 40 GKEB CC1=C(C#Cc2ccccc2)c2ccccc2O[C@]1(c1ccccc1)N1CCCC1 49611649 VIJJZKFPOVHQCM-MUUNZHRXSA-N 391.514 5.853 30 40 GKEB N#Cc1cccc(CSc2nnc(Cc3ccccc3)n2C2CCCCC2)c1 55104123 WGWMWIHIKMHUPL-UHFFFAOYSA-N 388.540 5.538 30 40 GKEB O=C(/C=C\C1=C[C@H](N2CCCC2)c2ccccc21)c1ccc(Br)cc1 97447435 ACCBVUDLFNHSRK-ZAGZISDZSA-N 394.312 5.422 30 40 GKEB CCCCCCCNC(=O)C[C@H](C)CC(=O)N(c1ccccc1)c1ccccc1 98045481 BNINFPYTHAMWDS-NRFANRHFSA-N 394.559 5.854 30 40 GKEB CC(C)(C)C1=CC(=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)C=C(Cl)C1=O 100004308 BTAWLOMDHNZVPX-UHFFFAOYSA-N 386.963 6.489 30 40 GKEB COc1ccc(OC)c(-c2csc(N/N=C(\C)c3c(C)cc(C)cc3C)n2)c1 105026126 RPPKQQRCZNPDKS-LFVJCYFKSA-N 395.528 5.589 30 40 GKEB Cc1cc(C(=O)O)ccc1N=Cc1c(C)c(Cl)c(C)c(Br)c1O 254498495 YGULSTZGOPIRKH-UHFFFAOYSA-N 396.668 5.182 30 40 GKEB C=CCOc1ccc2ccccc2c1[C@H]1SCC(=O)N1c1ccc(Cl)cc1 408558099 PTQYNAZAYSTGAM-JOCHJYFZSA-N 395.911 5.837 30 40 GKEB O=C1/C(=C/c2ccc(Cl)cc2)S/C(=N\c2ccccc2)N1Cc1ccco1 408917687 ZWWSZUQZTAUKAA-QFGKFHJGSA-N 394.883 5.737 30 40 GKEB Cc1ccc(C)c(/N=C\c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)c1 408949870 SKCAGDQQUSHZJU-MSXFZWOLSA-N 380.875 5.813 30 40 GKEB O=[N+]([O-])c1cc(/C=N/c2ccc(Oc3cccc(Cl)c3)cc2)ccc1Cl 409063378 AXDXFTHZUSZVJB-WSDLNYQXSA-N 387.222 6.445 30 40 GKEB Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N\c1ccc2c(c1)OCO2 409080370 NIPPFALBYSQIKE-MXAYSNPKSA-N 375.468 5.339 30 40 GKEB C=CCc1cc(CNc2ccc(C)cc2)cc(OC)c1OCc1cccc(F)c1 409112809 LQPLNZIKGMAYSX-UHFFFAOYSA-N 391.486 6.062 30 40 GKEB N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCCN1CCCCC1 2051504 WBRXQKOQNPLIRI-UHFFFAOYSA-N 399.563 5.865 30 40 GKEB N#Cc1c(SCc2ccc(F)cc2)nc2c(c1-c1cccs1)CCCC2 2259037 FJAGVGBQBVTRAB-UHFFFAOYSA-N 380.513 5.992 30 40 GKEB COc1ccc(/C=C/C(=O)c2cc(CC=C(C)C)c(OC)cc2OC)c(OC)c1 4473137 DRMKYWDUTUSQSZ-ZRDIBKRKSA-N 396.483 5.126 30 40 GKEB O=C(/C(=N\N=C\c1cc(Cl)cc(Cl)c1O)c1ccccc1)c1ccccc1 4582639 YKJLNWKJYMGYQV-JMFVNPTESA-N 397.261 5.405 30 40 GKEB O=C(/C=C\SCc1ncc(C(F)(F)F)cc1Cl)c1ccc(Cl)cc1 5513238 MNVIUNQGDRKOEQ-WAYWQWQTSA-N 392.229 6.037 30 40 GKEB O/C(CCc1ncc(-c2ccc(F)cc2)o1)=N\Cc1ccc(OC(F)F)cc1 11837050 RIUFMFUBTNNRMV-UHFFFAOYSA-N 390.361 5.171 30 40 GKEB C=CCn1c(S[C@@H]2CCCCCC2=O)nnc1-c1ccc(Cl)cc1Cl 12988826 DXQWQCDUHLAVML-MRXNPFEDSA-N 396.343 5.432 30 40 GKEB Cc1cc(Br)c(O)c(/C=N/c2ccc(NC(=O)c3ccco3)cc2)c1 16267123 ZQXZREMFXABYFQ-SRZZPIQSSA-N 399.244 5.059 30 40 GKEB CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1 21356202 NUEBOENFNWHQQU-HSZRJFAPSA-N 394.540 5.835 30 40 GKEB CN1/C(=C/C=C/C(=O)/C=C2/N(C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 100265638 IYYSVUQEGVPTJN-LOKAVZDSSA-N 398.550 5.735 30 40 GKEB N#Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)c(F)c1 408628482 UFMPNJGCWFNGOU-UHFFFAOYSA-N 390.805 5.146 30 40 GKEB O=C(O)c1cccc(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)c1 409090118 LCPRJFRMQHQFQX-AFUMVMLFSA-N 375.468 5.309 30 40 GKEB Cc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1cccc(F)c1 409108196 SFZZIUSEJJSNOV-KIBLKLHPSA-N 376.357 5.093 30 40 GKEB CC[C@H]1CCc2c(sc(NC(=O)c3c(Cl)cccc3Cl)c2C#N)C1 995113 ZGOWPPIWTWNJFC-JTQLQIEISA-N 379.312 5.694 30 40 GKEB O=C1/C(=N/N=C(c2ccccc2)c2ccccc2)c2ccccc2-c2ccccc21 1599185 AEKFBNIVRZUCFQ-PBBVDAKRSA-N 386.454 5.792 30 40 GKEB C=C(C)COc1ccc2c(=O)c(-c3ccccc3OC)c(C(F)(F)F)oc2c1 2425304 SOFQXISJHMFMPN-UHFFFAOYSA-N 390.357 5.442 30 40 GKEB biogenic O=C(Nc1ccc(F)c(Cl)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 5938216 SYQCDCXKDILRAW-UHFFFAOYSA-N 385.666 5.769 30 40 GKEB C=CC/N=c1\scc(-c2ccccc2)n1/N=C/c1ccc(C(F)(F)F)cc1 12602561 JVPZDHPAOKJMKX-NGOMROOWSA-N 387.430 5.204 30 40 GKEB Cc1c(CCC(C)C)c(N2C[C@@H](C)C[C@@H](C)C2)n2c(nc3ccccc32)c1C#N 13284491 PZWQIBGAZCNSMO-HDICACEKSA-N 388.559 5.739 30 40 GKEB Fc1c(F)c(F)c(C/N=N/Cc2c(F)c(F)c(F)c(F)c2F)c(F)c1F 68562606 GDUKBLTXHKLIBB-OCEACIFDSA-N 390.180 5.230 30 40 GKEB C=CCN(C(=O)c1ccc2[nH]c3nc4ccccc4nc3c2c1)c1ccccc1 104679940 MMVQZGWUROXXEP-UHFFFAOYSA-N 378.435 5.097 30 40 GKEB O=C1NC(=Nc2cc(Cl)ccc2Cl)S/C1=C/c1cccc(Cl)c1 408748789 HMAUSLZVSNRXED-VGOFMYFVSA-N 383.687 5.538 30 40 GKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3ccc(O)c([N+](=O)[O-])c3)c2C#N)C1 409209171 GDOORWQPKDETMD-MYSNOUKZSA-N 383.473 5.135 30 40 GKEB Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1/N=C/c1c(O)ccc2ccccc12 1100270 NGEJKUIPURQYIL-YDZHTSKRSA-N 386.411 5.007 30 40 GKEB Cc1ccc(N/C(=N/CCCN(C)C)C(c2ccccc2)c2ccccc2)cc1 1590082 GKKVCRLWNHYYPB-UHFFFAOYSA-N 385.555 5.589 30 40 GKEB Cc1ccc(/N=C/c2ccc3ccccc3c2)cc1/N=C/c1ccc2ccccc2c1 1948974 BXEIIIKWUSWTQZ-LVXWCJCWSA-N 398.509 7.803 30 40 GKEB Brc1ccc(-c2ccc(/C=N/CCc3c[nH]c4ccccc34)o2)cc1 2286685 ABRHRZFVYJSRJK-OEAKJJBVSA-N 393.284 5.852 30 40 GKEB O=c1oc2ccccc2cc1-c1ccc(/N=C/C=C/c2ccc([N+](=O)[O-])cc2)cc1 3139184 JGKBDLAZGBKNTK-WOCWOFJISA-N 396.402 5.784 30 40 GKEB CC1(C)CC2=C[C@@]3(C)CC(C)(C)C[C@@]4(C3)S/C(=N/c3ccccc3)NC(=C24)C1 5424620 WGZZZYOQQKPNIG-DQEYMECFSA-N 392.612 6.980 30 40 GKEB C#CCOc1ccc2ccccc2c1/C=C1/SC(=O)N(c2ccccc2)C1=O 6312108 DXXRDKFMJJAZGZ-RCCKNPSSSA-N 385.444 5.093 30 40 GKEB Cc1cc(/C=N/NCc2c(Cl)cccc2Cl)c(C)n1-c1ccc(F)cc1 9196442 ZLOFWQKNLWUTSA-BHGWPJFGSA-N 390.289 5.664 30 40 GKEB CN1/C(=C\C=C\C=C/C=C2C(=O)c3ccccc3C2=O)C(C)(C)c2ccccc21 31870952 MGZOKNHCACVLNG-NJFNNRMOSA-N 381.475 5.416 30 40 GKEB CCCCCCCCCCS(=O)(=O)N/N=C/c1ccc(Cl)cc1Cl 33355292 YONIQZDFQBJYAU-XSFVSMFZSA-N 393.380 5.387 30 40 GKEB N#CCSc1ncc(-c2ccc(Br)cc2)n1-c1ccc(F)cc1 44087159 NYBZFXLOMSCHLV-UHFFFAOYSA-N 388.265 5.057 30 40 GKEB CCOc1ccc(/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1 100242821 VRZBMSUSXJYAFG-XYGWBWBKSA-N 388.467 5.162 30 40 GKEB CCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCC(C)C 104323845 LRCPILGNNMVUIG-UHFFFAOYSA-N 398.628 6.990 30 40 GKEB Cc1ccc(Oc2ccc(/N=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C)cc2)cc1 198074576 NNGVKCOVSFVESU-FNVGFWRISA-N 398.550 7.260 30 40 GKEB CCN1c2cc(C)c(/C=N/c3ccc(Br)cc3)cc2[C@H](C)CC1(C)C 198104022 XIGCMLIXIJFBQV-HUSFYUSLSA-N 399.376 6.620 30 40 GKEB CCCCN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)S/C1=N\c1ccc(C)cc1 408908493 FHKFZSHJQYOJBC-KLPPEWMLSA-N 395.484 5.307 30 40 GKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc4ncccc4c3)c2C)c1 408965503 HWGUMTZPUWMCAT-JVWAILMASA-N 397.478 5.570 30 40 GKEB CC[C@@H](C)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 2738391 GKBLBLUMSHRFAY-MRVPVSSYSA-N 395.265 5.607 30 40 GKEB Cc1ccc2nc(-c3cccc(/N=C/C=C/c4ccc([N+](=O)[O-])cc4)c3)oc2c1 2756894 XJVFSYKXPSZBJO-CGIFWJFOSA-N 383.407 6.127 30 40 GKEB O=C1/C(=C/c2c(F)cccc2Cl)CCC/C1=C\c1c(F)cccc1Cl 4646765 WDCXAVZLNFAYRK-DCIPZJNNSA-N 379.233 6.492 30 40 GKEB CCOc1cccc(/C=N/c2cccc(-c3nc4cc(CC)ccc4o3)c2)c1O 4677173 DDMDWNZCZSYNCU-MFKUBSTISA-N 386.451 5.912 30 40 GKEB O=C(/C=C/c1ccc(Br)cc1)c1ccc(Nc2ccccc2)cc1 4869701 BVBNPDQKKHRDGR-OVCLIPMQSA-N 378.269 6.089 30 40 GKEB O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1ccc(Cl)cc1Cl 5004877 FUQPOFYYOOUECY-VGOFMYFVSA-N 383.687 5.538 30 40 GKEB Cc1occc1-c1nnc(SCc2ccccc2C#N)n1Cc1ccccc1 7291522 ZPYVSCLRFJGESD-UHFFFAOYSA-N 386.480 5.059 30 40 GKEB O=C1c2ccccc2[C@@](/N=C/c2ccccc2)(c2ccccc2)N1c1ccccc1 18129455 NPIICIDOTBEWEA-QCCZVWFUSA-N 388.470 5.667 30 40 GKEB O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1cccc(O)c1)Nc1ccccc1N2 18142515 MNNYYWDJMGQQHK-CJAUYULYSA-N 382.463 5.372 30 40 GKEB C=CCOc1ccc(C(=O)Nc2ccccc2-c2nc(-c3ccccc3)no2)cc1 32622315 ZRJBWIRMIFQMSJ-UHFFFAOYSA-N 397.434 5.221 30 40 GKEB COc1cc(/C=N/c2ccc(F)cc2F)ccc1OCc1cccc(C(=O)O)c1 59250308 FZWGGMRXTYYWLX-BRJLIKDPSA-N 397.377 5.001 30 40 GKEB CCCCCCCCCOc1ccc(/C=C2/C[C@@H](CCCCC)OC2=O)cc1 100928766 CNHBNUVSBSVBPO-DOMBRYFRSA-N 386.576 7.095 30 40 GKEB CCOc1ccc(/C=C2\SC(=Nc3cccc(Cl)c3)NC2=O)cc1Cl 408768938 MKIBCCXZYDSSKZ-SXGWCWSVSA-N 393.295 5.284 30 40 GKEB COc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1 408953560 OPSQHPBOLYCPRT-LYTWXAMNSA-N 380.491 6.272 30 40 GKEB Cc1cc(Br)ccc1/N=C\c1ccc(-c2ccc(C(=O)O)cc2C)o1 408962724 TXVQRKLLYPZDBG-JJFYIABZSA-N 398.256 5.775 30 40 GKEB CC(C)(C)c1ccc(/N=C\c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)cc1 409079490 JXRAWNHPEQFRHV-QRQIAZFYSA-N 387.567 6.908 30 40 GKEB CC[C@@H](C)c1ccc(-c2c(C)sc(NC(=O)/C=C(\C)C(=O)O)c2C#N)cc1 2789316 CRDXHZKJUYPVMO-GMCKNXKJSA-N 382.485 5.078 30 40 GKEB Cc1cc(-c2nc3ccccc3o2)ccc1/N=C/c1cc(Cl)cc(Cl)c1O 3043479 HHCAWRHERPKNMS-BHGWPJFGSA-N 397.261 6.566 30 40 GKEB C=C[C@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)N(CC)CC 4683128 IZLFEOKZLMRPGH-AREMUKBSSA-N 385.551 5.892 30 40 GKEB C/C(=N\Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1Br 4924179 ZQEAAJAPPYLODJ-ZVBGSRNCSA-N 391.618 5.957 30 40 GKEB O=C(/C=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccc2ccccc2c1 5214814 GEEQQHJZJWTESO-ZRDIBKRKSA-N 392.376 7.015 30 40 GKEB O=C(/C=C\c1ccc(OCc2ccccc2)cc1)c1ccccc1Br 5649202 XDBCFWNOWWAVMP-QINSGFPZSA-N 393.280 5.924 30 40 GKEB Cc1c(C#N)c(NC(=O)COc2ccc(Cl)cc2)n(C2CCCCC2)c1C 5937971 BHTWRHZXNPPSEH-UHFFFAOYSA-N 385.895 5.153 30 40 GKEB COc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2ccccc2)cc1 6785519 LIFOEWAMYJNJBJ-UHFFFAOYSA-N 398.491 5.107 30 40 GKEB C=Cc1ccc(COc2ccc3c(c2)O/C(=C\c2ccc(OC)cc2)C3=O)cc1 12662480 QTVAEVHRCCYMMY-OYKKKHCWSA-N 384.431 5.533 30 40 GKEB biogenic FC(F)(F)Sc1cc(Br)ncc1C(F)(F)C(F)(F)F 97950032 UYRKXAXBQTXQRR-UHFFFAOYSA-N 376.066 5.110 30 40 GKEB Cc1ccccc1-c1nc2ccc(/N=C/c3ccc(Br)cc3)cc2o1 98086896 QZJGGOMFEXBIRF-YDZHTSKRSA-N 391.268 6.316 30 40 GKEB COc1ccc([C@]2(CC/N=C\c3ccc(N(C)C)cc3)CCOC(C)(C)C2)cc1 100340672 FIVMSMFFNOEBKL-RMMRYSJTSA-N 394.559 5.097 30 40 GKEB O=C(/C=C/Nc1ccc(I)cc1)c1ccc2ccccc2c1 100419170 WLEHQBKIAFFFLC-VAWYXSNFSA-N 399.231 5.253 30 40 GKEB COCC/N=C1/Sc2nc3cc(C)c(C)cc3cc2CN1Cc1cccs1 100442553 PKFPLEVYHTVSMP-QURGRASLSA-N 397.569 5.023 30 40 GKEB CC(=O)Nc1ccc(/N=C/c2ccc3c(c2)C(C)=CC(C)(C)N3C(C)C)cc1 223496109 OHUSNBGJCLTXIP-MFKUBSTISA-N 375.516 5.806 30 40 GKEB Cc1ccc(/C=C2\S/C(=N\c3c(C)cccc3C)N(c3ccccc3)C2=O)o1 408735328 MZNGKISPYZEDDL-YKQZMZHDSA-N 388.492 6.013 30 40 GKEB Cc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1cccc2ccccc12 408910387 JYKLRZOLUYFOPZ-IWIPYMOSSA-N 384.439 5.602 30 40 GKEB CC[C@H](C)N1C(=O)/C(=C\c2ccc(OC)c(C)c2)S/C1=N\c1ccc(C)cc1 408913561 MYFVBSCRXBIGAB-ZEGZONJGSA-N 394.540 5.715 30 40 GKEB CC[C@@H](C)c1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)s2)cc1 409015697 DGHCEOFGFMWSMS-QKIXXSFTSA-N 385.985 7.817 30 40 GKEB Cc1ccc(-c2ccc(/C=N/c3ccc(C)c(Cl)c3)o2)c(Br)c1 409243888 YONOCBNEXQCJKF-SSDVNMTOSA-N 388.692 6.730 30 40 GKEB N#Cc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccccc2)cs1 5971959 PGOUVWODWBTQLH-UHFFFAOYSA-N 385.901 5.066 30 40 GKEB C[C@H](C#N)Sc1nnc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc23)o1 6839769 QGADZCBUVUMSJM-GFCCVEGCSA-N 392.871 5.609 30 40 GKEB C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3cccc(Cl)c3)c12 8026408 QNXFFPNQGOAPQG-VAWYXSNFSA-N 375.859 5.333 30 40 GKEB COc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OCc1cccc(F)c1 8368515 DFCFZPPUJAYBHV-LGJNPRDNSA-N 397.877 6.434 30 40 GKEB Cn1cc(/C=C2/Oc3cc(OCc4ccccc4F)ccc3C2=O)c2ccccc21 8992591 RJLCZZMIYZZRLL-WYMPLXKRSA-N 399.421 5.513 30 40 GKEB O=C1c2ccccc2/C(=N\c2ccccc2)[C@H]1c1cccc(Br)c1 18285366 LOWAVSRANSPYOF-VKQKAZQBSA-N 376.253 5.550 30 40 GKEB Cc1ccc(-c2c[n+](CC(=O)c3ccc(Cl)cc3)c3n2CCCCC3)cc1 27526011 AUQREHCNNSWIEV-UHFFFAOYSA-N 379.911 5.014 30 40 GKEB CCCCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccccc1Cl 102802396 OSKDUTNDIKWULS-NHFXJNLRSA-N 397.902 5.342 30 40 GKEB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C 118927805 IIPHPVVRBVBREZ-MGTYGLCWSA-N 384.648 7.453 30 40 GKEB C=CCSc1ccccc1C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219817341 SSGQRRSVAKQLHJ-MOPGFXCFSA-N 394.584 5.692 30 40 GKEB CC(C)COc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)c(C#N)c1 225682280 DVPDBEHXASOIRU-UHFFFAOYSA-N 380.463 5.183 30 40 GKEB C=CCOc1ccc(CNc2ccc(Br)c(Cl)c2)cc1OC 408557114 MFVXCOVWJQKPOL-UHFFFAOYSA-N 382.685 5.288 30 40 GKEB CC(C)Oc1ccc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc1Cl 408966702 PYZDWCRQZQLDFN-LICLKQGHSA-N 390.867 5.158 30 40 GKEB Cc1cccc(/N=C/c2c(OCc3cccc(Cl)c3)ccc3ccccc23)c1C 409216431 LCIWWKFLPXOOLG-LQKURTRISA-N 399.921 7.440 30 40 GKEB O=C1N/C(=N/c2ccccc2C(F)(F)F)S/C1=C/c1c[nH]c2ccccc12 1447380 JEEDTFSNKVHVEP-CXUHLZMHSA-N 387.386 5.078 30 40 GKEB CC/C(=N\Nc1nc2c3ccccc3n(C(C)=O)c2s1)c1ccc(OC)cc1 5302262 RSJUKYISZOTAST-HAVVHWLPSA-N 392.484 5.146 30 40 GKEB Cc1cccc(OCc2ccc(-c3nc(C#N)c(N4CCCCCC4)o3)o2)c1 8844545 GVIOCZSDKINFPP-UHFFFAOYSA-N 377.444 5.074 30 40 GKEB CCc1ccc(C(=O)/C=C\Nc2cc(Cl)ccc2C(=O)c2ccccc2)cc1 16161445 SACZFKFZPJDJBC-PFONDFGASA-N 389.882 5.942 30 40 GKEB O=C(/C=C/C1=C[C@@H](N2CCCC2)c2ccccc21)c1ccc(Br)cc1 97447434 ACCBVUDLFNHSRK-VZOQVYJPSA-N 394.312 5.422 30 40 GKEB COc1ccccc1/C=C1\S/C(=N\c2ccccc2)N(C2CCCCC2)C1=O 100288605 QSDASSCGQJGAAG-BLOQEJBCSA-N 392.524 5.632 30 40 GKEB Fc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c(F)c1 100411516 UDYRXVHGZJRWMH-OPEKNORGSA-N 392.232 6.601 30 40 GKEB CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N\c1ccc(F)cc1 102148762 SPXFBPVLGCLUAF-MGXYOJEMSA-N 399.516 5.210 30 40 GKEB Cc1ccccc1OCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 408629188 OQRHCKZOXBMEJQ-OAHLLOKOSA-N 382.529 5.097 30 40 GKEB CCOC(=O)c1cccc(-c2ccc(/C=C/C(=O)c3ccc(OC)cc3)o2)c1 408652504 DCLVSVXKBJRXFW-ACCUITESSA-N 376.408 5.028 30 40 GKEB CSc1ccc(/C=C2/SC(=Nc3cc(Cl)ccc3Cl)NC2=O)cc1 408748796 HQCSHPCYFLGYDN-OVCLIPMQSA-N 395.336 5.607 30 40 GKEB N#CCOc1ccccc1[C@H]1Nc2ccc3ccccc3c2C2=C1C(=O)CCC2 408818949 ZJFNDMZQESMTBE-RUZDIDTESA-N 380.447 5.416 30 40 GKEB O=C(COc1ccc2ccccc2c1/C=N/c1ccccc1)Nc1ccccc1 409203483 YFLZPZBTGCWNOE-YZSQISJMSA-N 380.447 5.608 30 40 GKEB CC(C)(C)C1=C(Cl)C(=O)[C@](Cl)(c2ccccc2)C(=O)N1c1ccccc1 707767 KZWAARIHHJFPDI-OAQYLSRUSA-N 388.294 5.233 30 40 GKEB N#Cc1cc2ccccc2nc1SCC(=O)N(c1ccccc1)c1ccccc1 1331005 RCLPILVCERBRCC-UHFFFAOYSA-N 395.487 5.563 30 40 GKEB Cc1cccc(-c2nc3cc(/N=C/c4c(O)cc(C)c(Cl)c4C)ccc3o2)c1 3117092 FSYZIIAHLFCHOR-BRJLIKDPSA-N 390.870 6.530 30 40 GKEB N#C/C(=N\Nc1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 4175423 WXOPOXNNATYVAI-BUVRLJJBSA-N 391.258 5.596 30 40 GKEB COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@H]43)cc2)cc1 4181729 DBKKKIRVRISFJD-ZMOSYRSNSA-N 394.518 6.581 30 40 GKEB C=CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1cccc(C)c1 4346262 BJRTZAHAKAWPGO-UHFFFAOYSA-N 390.339 6.039 30 40 GKEB CCCC[P+](N(CCC)CCC)(N(CCC)CCC)N(CCC)CCC 4530674 CFEATGACFFTVNN-UHFFFAOYSA-N 388.645 6.915 30 40 GKEB COc1cc(/C=C/C(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1 7007099 CVZVPGUTDRJEDO-HWKANZROSA-N 387.229 5.109 30 40 GKEB Cc1ccc(C)c(/N=C/c2cc(Cl)ccc2OCc2cccc3ccccc23)c1 8367982 YMTQSFJZMLRVGP-LQKURTRISA-N 399.921 7.440 30 40 GKEB C=CCSc1nc2c(c(-c3cccs3)c1C#N)CC/C2=C\c1cccs1 9319557 STSULGHUDUKPLT-WYMLVPIESA-N 392.574 6.508 30 40 GKEB C=CCn1c(-c2ccc(Br)cc2)cs/c1=N/c1ccc(C)cc1 15636879 BMHAAUBGOJEXFJ-XUTLUUPISA-N 385.330 5.706 30 40 GKEB O=[N+]([O-])c1ccc(N/N=C2\CCCC[C@H]2C2CCCCCCC2)c([N+](=O)[O-])c1 36522127 SYOPKFDQKDNDNO-SPGGGKMGSA-N 388.468 5.822 30 40 GKEB CCCCCCCCCOC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 98001351 UVJIPHNHFVEPEK-UHFFFAOYSA-N 381.516 6.155 30 40 GKEB COC(=O)c1ccc(-n2c(C)cc(/C=N\c3cccc4cccnc34)c2C)cc1 100279322 MRZDAONNQKQFCV-YSMPRRRNSA-N 383.451 5.180 30 40 GKEB C=C1CC[C@H](O)C/C1=C\C=C1/CCC[C@]2(C)[C@@H]1CC[C@H]2[C@H](C)CCCC(C)C 100297550 QYSXJUFSXHHAJI-ROCHBWKDSA-N 384.648 7.619 30 40 GKEB CCCCCCCCCCCCCCCCC/C(=N\O)c1ccc(Cl)cc1 103846545 CBFANXZBYHRDSV-SHHOIMCASA-N 394.043 8.780 30 40 GKEB CCc1ccccc1/N=C1\S/C(=C/c2ccccc2)C(=O)N1C1CCCCC1 408907280 AKKZPPGAUCTEFF-AIQBXGKYSA-N 390.552 6.186 30 40 GKEB Cc1ccc(/N=C\c2cccc(OCc3ccc(C(=O)O)cc3)c2)cc1Cl 409203261 VBNQZMQNYLBDSB-CFRMEGHHSA-N 379.843 5.676 30 40 GKEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@H]2c1c[nH]c2ccccc12 809295 MEIKTGXCOHAESK-SANMLTNESA-N 392.502 6.631 30 40 GKEB C[C@H](Nc1oc(COc2ccc(Br)cc2)nc1C#N)c1ccccc1 934553 SZUPKERYJMTITF-ZDUSSCGKSA-N 398.260 5.061 30 40 GKEB CCOc1ccc(Nc2nc(SC)nc(-c3ccc(C)cc3)c2C#N)cc1 5509628 ORUGIQFPNDXQSG-UHFFFAOYSA-N 376.485 5.188 30 40 GKEB Cc1cc(/N=C/c2cccc(C)c2O)ccc1NC(=O)c1cc2ccccc2o1 6035153 COWQVFCGDGVXQU-AFUMVMLFSA-N 384.435 5.758 30 40 GKEB C(=N/c1ccc(-c2nc3ccccc3s2)cc1)\c1ccc(N2CCOCC2)cc1 6816921 SUBJVINREXWKSA-KOEQRZSOSA-N 399.519 5.551 30 40 GKEB Cc1ccc(C)c(/N=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)c1 8367793 YJDVGGGFOXZBIJ-LQKURTRISA-N 399.921 7.440 30 40 GKEB C=CCOc1ccc(C(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1 8499881 XWGRXWFKWQYZJE-UHFFFAOYSA-N 389.520 6.104 30 40 GKEB COc1cc(/C=N/c2ccccc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 8570890 RSJGNVVUQGLNOL-OEAKJJBVSA-N 376.412 5.241 30 40 GKEB COc1ccc(OC)c(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3o2)c1 11614206 ZDENFGIODJUVSQ-XDJHFCHBSA-N 385.419 5.269 30 40 GKEB CCOc1ccc(N(C(=O)c2ccc(C#N)cc2)c2nc3ccccc3s2)cc1 12692570 XOQFBPHIBYUMSV-UHFFFAOYSA-N 399.475 5.545 30 40 GKEB Cc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1ccc(C(C)C)cc1 18222381 NFFVMRYVYGTVBG-YADARESESA-N 398.510 5.126 30 40 GKEB CCn1ncc(/C=C2/C[C@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)c1C 118915866 HLNMGFKCMXUKSU-AJFKJGJJSA-N 394.603 6.207 30 40 GKEB COC(=O)c1cccc(Cn2cc(/C=N\c3cccc(C)c3)c3ccccc32)c1 408544170 VKWQUHHDLZZCSV-YSMPRRRNSA-N 382.463 5.535 30 40 GKEB Cc1ccc(/N=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cc1[N+](=O)[O-] 408967696 RTCUEATWNMRCKC-MYYYXRDXSA-N 389.499 6.359 30 40 GKEB C=C[C@](C)(CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)OC(C)=O)OC(C)=O 4082222 JRCDNYSMCYLMMV-GDMUPCAJSA-N 392.580 5.839 30 40 GKEB biogenic COc1ccc(/C=C2\S/C(=N/c3cccc(Cl)c3)NC2=O)c2ccccc12 4660084 QVRSMYZYUPGURZ-ODLFYWEKSA-N 394.883 5.393 30 40 GKEB CC(/C=C1\S/C(=N\c2ccc(Cl)c(Cl)c2)NC1=O)=C\c1ccccc1 5551477 WRJMXGHGVKWDHK-YZXVBUGESA-N 389.307 5.831 30 40 GKEB CCOc1ccc(-c2csc(/C(C#N)=N\Nc3cccc(Cl)c3)n2)cc1 6355342 WGXFMVGCYRAWHI-ULJHMMPZSA-N 382.876 5.202 30 40 GKEB CN(C)[C@@H](CNc1oc(-c2cccc3ccccc23)nc1C#N)c1ccccc1 27991204 CJUBMZMTPXBZHA-QFIPXVFZSA-N 382.467 5.081 30 40 GKEB Cc1ccc(/N=C\c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1 58872346 LDLPGANCBVHRAW-OYKKKHCWSA-N 378.859 5.417 30 40 GKEB Brc1ccc(/N=C/C=C/Nc2ccc(Br)cc2)cc1 100470221 GYJFZOJMRGIYGJ-PBDUKYKTSA-N 380.083 5.540 30 40 GKEB C[C@H](NC(=S)Nc1ccc(CC#N)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 225668810 QAEAVLIAYRBSER-MSOLQXFVSA-N 392.572 5.037 30 40 GKEB CCCCCCCCCCNC(=O)C(=O)Nc1ccc(OCCCCC)cc1 408709598 UVIKQZZRVYKXCX-UHFFFAOYSA-N 390.568 5.451 30 40 GKEB C=CCc1cc(/C=N/O)cc(OCC)c1OCc1ccc(Cl)cc1Cl 409067091 PCCIESBLOKXOQI-SSDVNMTOSA-N 380.271 5.508 30 40 GKEB CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc(C)cc2)C2=C(CC(C)(C)CC2=O)N1 4032161 ITBNVEMZHCUOTP-QFIPXVFZSA-N 393.527 5.085 30 40 GKEB Cc1ccc(C(=O)/C(=C/c2ccc(N(C)C)cc2)c2nc3ccccc3o2)cc1 4881244 AIJFEXCNEWPFSG-PGMHBOJBSA-N 382.463 5.626 30 40 GKEB C=CCC1(O)[C@@H](C)[C@@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@@H]1C 5101754 AUYAXWJFEBJXAN-PBFVBANWSA-N 390.354 5.958 30 40 GKEB C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccc(Cl)cc3)c12 8229821 HCWGOQDYOSAZIE-JLHYYAGUSA-N 375.859 5.333 30 40 GKEB COc1cc(OC)cc(C(=O)/C(=C\c2ccc(C)o2)c2nc3ccccc3o2)c1 9547750 ZMUMPPVODOKPFE-CPNJWEJPSA-N 389.407 5.170 30 40 GKEB COc1ccccc1/C=N/Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1 13303696 LQHHRPNPDSGQRF-KOEQRZSOSA-N 380.451 5.265 30 40 GKEB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\C=C\c1ccccc1 36624057 CNATZRJRPIOVRF-QLCGUEDESA-N 398.550 6.389 30 40 GKEB CCCCOc1ccc(C(=O)/C=C/Nc2ccc(C)cc2Br)cc1 44843260 KTPLFXCKNHERRR-VAWYXSNFSA-N 388.305 5.745 30 40 GKEB CCCCCCCOc1ccc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)cc1 105649237 ZUVUPFHAHAHDQF-XLNRJJMWSA-N 377.484 5.689 30 40 GKEB COc1ccc(C(=O)/C=C/Nc2ccc(Oc3ccccc3OC)cc2)cc1 409100464 NQZFCBIAOLTXPM-FOCLMDBBSA-N 375.424 5.305 30 40 GKEB Cc1cccc(NC(=O)COc2ccccc2/C=N/c2ccc(C)c(Cl)c2)c1 409214285 WMKWBXADEMRPFU-AFUMVMLFSA-N 392.886 5.725 30 40 GKEB O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1ccc(O)cc1)Nc1ccccc1N2 815776 RDSXILGVSCBBIY-IQMFZBJNSA-N 388.492 5.433 30 40 GKEB Oc1ccccc1/N=C/c1c(O)c(Br)cc2oc3c(c12)CCCC3 1209249 SQTLEAKPDIJBLY-UFFVCSGVSA-N 386.245 5.236 30 40 GKEB O=[N+]([O-])c1ccccc1/C=C/C=N/c1ccc2oc(Cc3ccccc3)nc2c1 2756725 RUBGVKAZSUZHCB-SWHXDCQXSA-N 383.407 5.743 30 40 GKEB Clc1ccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(Cl)c1 4587384 LEZOLISAPKGXCV-VULFUBBASA-N 384.350 7.212 30 40 GKEB COc1ccc2nc(/C=C/c3ccccc3)cc(N/N=C/c3ccc(O)cc3)c2c1 5257387 YQBUUGUDMPBZIT-LGFPMUJSSA-N 395.462 5.565 30 40 GKEB Cc1cccc(C)c1/N=C1\NC(=S)N(c2ccccc2Cl)C12CCCC2 5427340 VMUIBVGSTWYAFZ-UHFFFAOYSA-N 383.948 5.694 30 40 GKEB CCCCCCCCCC(=O)Nc1ccc(C(=O)OCCCCCCC)cc1 98001370 NGWRXTYBFXHYBU-UHFFFAOYSA-N 389.580 6.893 30 40 GKEB biogenic CCCCCCCCCCCCCCCCNC(=O)Nc1ccc(Cl)cc1 100061166 YOJOBPFJSUFCNY-UHFFFAOYSA-N 395.031 7.943 30 40 GKEB C#CCOc1ccc(Cl)cc1CNc1ccc(Br)c(Cl)c1 408560588 ZUVCIJBOMVLVBK-UHFFFAOYSA-N 385.088 5.380 30 40 GKEB Cc1ccc(COc2ccccc2/C=N/OCc2cccc([N+](=O)[O-])c2)cc1 408592668 NHNUZGFDYXCFPU-OEAKJJBVSA-N 376.412 5.033 30 40 GKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N\c3ccccc3Cl)c2C)cc1 408781241 AXNZOFTVKBFLDU-OYKKKHCWSA-N 380.875 5.675 30 40 GKEB O=C1C(=Cc2ccccc2OCc2ccc3ccccc3c2)C(=O)c2ccccc21 408910075 JAOQDPMANOYPPV-UHFFFAOYSA-N 390.438 5.881 30 40 GKEB Cc1ccc(NC(=O)COc2cccc(/C=N/c3ccc(F)cc3F)c2)cc1C 409382653 MUNRYNWOCJYJMJ-LGJNPRDNSA-N 394.421 5.350 30 40 GKEB O=C(c1ccc(F)cc1Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575243035 UYNXLLGBQDBGOC-UHFFFAOYSA-N 376.577 5.130 30 40 GKEB Cc1ccc(COc2ccccc2/C=N/NC(=S)Nc2ccccc2C)cc1 4599707 KVAOAJNVYONMMQ-BUVRLJJBSA-N 389.524 5.203 30 40 GKEB CCc1ccc(/C=C2\S/C(=N\c3cccc(Cl)c3Cl)NC2=O)cc1 5551620 LIHSQMOUFWMADT-GDNBJRDFSA-N 377.296 5.447 30 40 GKEB N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(Br)cc1 7276300 PYNYDRWXIAUBRY-UHFFFAOYSA-N 377.241 5.240 30 40 GKEB Cc1ccc(C)c(/N=C/c2c(OCc3cccc(F)c3)ccc3ccccc23)c1 8367801 KWOOXVMDOCINAZ-LQKURTRISA-N 383.466 6.925 30 40 GKEB C=CCN1C(=O)/C(=C\c2ccc(Br)cc2)S/C1=N\c1ccccc1 15163119 SFDHKRYXZNIMQG-MNVZFQSXSA-N 399.313 5.239 30 40 GKEB Clc1ccccc1/C=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1 19682394 MJISSXIFFMUCTA-YZSQISJMSA-N 387.914 5.062 30 40 GKEB CSc1nc(N[C@@H](C)c2ccccc2)c(C#N)c(-c2ccc(Cl)cc2)n1 19820526 RNXCACIQWFMABA-ZDUSSCGKSA-N 380.904 5.564 30 40 GKEB C[C@@H]1CCN(C(=O)c2ccc(C#N)cc2)c2cc(C(F)(F)F)ccc2S1 59005445 WDPXBEWRVADARS-GFCCVEGCSA-N 376.403 5.108 30 40 GKEB C=CCN1C(=O)/C(=C/c2cc3c(cc2C)N(CC)C(C)(C)C=C3C)SC1=S 208532061 WNYSCCIPQMHHEY-UNOMPAQXSA-N 398.597 5.404 30 40 GKEB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N/Nc3ccc([N+](=O)[O-])cn3)cc21 223501067 FGFQTCFXUNLWDC-WYMPLXKRSA-N 393.491 5.155 30 40 GKEB Cc1cc2c(cc1/C=N/Nc1ccc([N+](=O)[O-])cn1)[C@@H](C)CC(C)(C)N2C(C)C 223587974 VMYWNDFZSMKRQO-SOAGAIGUSA-N 395.507 5.245 30 40 GKEB C=CCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 224928733 FVDQFYFEMSEHAT-UHFFFAOYSA-N 384.328 5.498 30 40 GKEB C=CCOc1cccc(NC(=S)N[C@@H](c2ccccc2)c2ccc(C)cc2)c1 225511874 BKJUJYDLHWAYIX-QHCPKHFHSA-N 388.536 5.636 30 40 GKEB CCn1c(N/N=C/c2ccc(OC(C)C)cc2OC(C)C)nc2ccccc21 408692424 MFCPMCSRRHYJOA-OEAKJJBVSA-N 380.492 5.077 30 40 GKEB COc1cccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)c1 408975335 AJVCDDZWGZSMJE-BUVRLJJBSA-N 376.525 6.617 30 40 GKEB CC(=O)Nc1ccc(/N=C/c2ccccc2OCc2ccccc2Cl)cc1 680930 AWLZPAPPRVIODB-ZVHZXABRSA-N 378.859 5.628 30 40 GKEB COc1cc(/C=N/c2ccc(NC(C)=O)cc2)ccc1OCc1ccc(F)cc1 681041 VALUCLYIJLIZHG-AFUMVMLFSA-N 392.430 5.122 30 40 GKEB Cc1ccc2nc(-c3ccc(C)c(/N=C/c4c(O)ccc5ccccc45)c3)oc2c1 1955369 PIJAOBPZOLLLBO-JFLMPSFJSA-N 392.458 6.721 30 40 GKEB Cc1ccc(C(c2ccc(/N=C/c3ccc(N(C)C)cc3)cc2)c2ccc(C)o2)o1 4793294 WJROOXULKXSFIU-WPWMEQJKSA-N 398.506 6.486 30 40 GKEB C(=N/N(Cc1ccccc1)c1ccccc1)\c1cccc(Oc2ccccc2)c1 4826545 AIUFZFSCOVTZNY-NHFJDJAPSA-N 378.475 6.520 30 40 GKEB CCN(CC)c1ccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3[nH]2)cc1 5071788 GOYWZPGSVWDZLK-PYCFMQQDSA-N 395.506 5.833 30 40 GKEB C#CCOc1c(Br)cc(/C=N/c2cccc(C)c2C)cc1OCC 6959238 WIMPLTHYHRMLHG-LPYMAVHISA-N 386.289 5.227 30 40 GKEB CCOc1cc(/C=N/c2ccc(C)cc2C)ccc1OCc1cccc(F)c1 6961457 DLODHLRDCCDODW-CVKSISIWSA-N 377.459 6.171 30 40 GKEB COc1ccc(/N=C/c2c(OCc3ccccc3F)ccc3ccccc23)cc1 8116376 DNWASFPCLNNCDE-JVWAILMASA-N 385.438 6.317 30 40 GKEB CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1 21356196 NUEBOENFNWHQQU-QHCPKHFHSA-N 394.540 5.835 30 40 GKEB CCCCOc1ccc(C(=O)/C=C/Nc2ccc(Oc3ccccc3)cc2)cc1 44842974 XEBUKKJLYMDODR-ISLYRVAYSA-N 387.479 6.466 30 40 GKEB COc1ccc(/N=C(\O)[C@@H](/N=C(\O)C2CCC(C)CC2)C(C)C)cc1OC 59515134 HVRFVRMUVMBHPS-ZOJXTTQQSA-N 376.497 5.099 30 40 GKEB N#C[C@@H](C(=O)c1cc2c(s1)CCC2)c1nc2cc(C(F)(F)F)ccc2s1 84452332 KELAXFHTDVOEHK-NSHDSACASA-N 392.427 5.355 30 40 GKEB CCCCCCCCCCC[C@@H](O)CC(=O)CCc1ccc(O)c(OC)c1 85507035 HQXJXOYLPWCMGL-HXUWFJFHSA-N 378.553 5.574 30 40 GKEB endogenous,in-man CCCCCCCC1=NN2C(=N)/C(=C\c3c[nH]c4ccccc34)C(=O)N=C2S1 100783587 LLPDYUAFQLUIRO-KBQFJHCTSA-N 393.516 5.148 30 40 GKEB O=C1c2ccccc2/C(=N/c2ccc3cccnc3c2)[C@H]1c1ccc(Cl)cc1 103877882 PGYBSTZBPBYHBS-SZWCJKGDSA-N 382.850 5.989 30 40 GKEB CC(=O)[C@]12CCCC[C@@H]1C[C@H]1[C@@H]3C[C@@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 118917726 OAICPORQJIVREU-XEFUGDOASA-N 382.588 6.140 30 40 GKEB Cc1ccc(C(C)C)cc1Oc1c(N)cc(C#N)n1Cc1ccccc1Cl 225886943 ZFKGNZYJCFAQMW-UHFFFAOYSA-N 379.891 5.868 30 40 GKEB Cc1ccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1C 408629152 MKGTYFSHYDOMPF-INIZCTEOSA-N 396.556 5.405 30 40 GKEB C[C@H](NC(=O)COc1ccc(/C=N\c2cccc(Cl)c2)cc1)c1ccccc1 408801845 VWYKVYHJOWDHHX-HAWKZNDISA-N 392.886 5.347 30 40 GKEB Cc1cccc2c(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c(C)n(C(C)C)c12 409050616 XUTFRVYRVXPWSR-JAHAZDFLSA-N 397.338 5.553 30 40 GKEB COC(=O)c1ccc(/N=C/c2ccc(-c3ccc(C)cc3Br)o2)cc1 409243601 TYRDNFYLUYGQIJ-WSDLNYQXSA-N 398.256 5.555 30 40 GKEB CC(C)C[C@@H]1CC(=O)Oc2ccc3c(c21)O/C(=C\c1ccc(C(C)C)cc1)C3=O 524731747 JFSROBHDDNXKNU-UZQMFHLOSA-N 390.479 5.865 30 40 GKEB biogenic CC(=O)O/N=C(\C)CC/C=C(\C)CC[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@]21C 4026948 NQRNQFVQINDGPA-YGQSZDGESA-N 387.608 7.231 30 40 GKEB biogenic COc1ccc(/N=C2/SC(=N)N(c3ccccc3Cl)C23CCCCC3)cc1 4663454 USELSFBLULDSGN-ADRRLYRRSA-N 399.947 6.270 30 40 GKEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 4743385 UKOMULPFZLPYFN-LPYMAVHISA-N 381.819 5.273 30 40 GKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C 5758815 AARSTNLEOKIRTL-GYKMGIIDSA-N 382.632 7.373 30 40 GKEB biogenic CCOc1cc(/C=N/c2cc(Cl)ccc2C)cc(Br)c1OC 6959075 IPCCZSJIIYEOBA-KEBDBYFISA-N 382.685 5.569 30 40 GKEB Clc1ccc(Cl)c(-c2ccc(/C=N/NCc3ccccc3Cl)o2)c1 8811431 CYQVHMHEOOCVLH-FOKLQQMPSA-N 379.674 6.031 30 40 GKEB C(=N/c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)\c1ccc(N2CCOCC2)o1 9323597 NFEREGYWEKAFKY-YZSQISJMSA-N 390.527 5.335 30 40 GKEB Clc1ccc(CN/N=C/c2ccccc2OCc2ccc(Cl)cc2)cc1 10118684 UWZCCPDUVLBMOA-AFUMVMLFSA-N 385.294 5.696 30 40 GKEB CCOc1cc(/C=C/C(=O)c2ccc(OC(F)F)cc2)cc(Cl)c1OC 13039196 LHJZPCAQKLNRJF-RUDMXATFSA-N 382.790 5.245 30 40 GKEB O=C(/C=C\Nc1ccc(OC(F)(F)F)cc1)c1cc(Cl)ccc1Cl 16427867 LKVSGZNDYSHCLB-FPLPWBNLSA-N 376.161 5.701 30 40 GKEB CCCCCCCOc1ccc(C(=O)CCCCCCC(=O)OCC)cc1 100604375 IYXQONPNRHZGEJ-UHFFFAOYSA-N 376.537 6.122 30 40 GKEB COc1ccc(Oc2ccc(/N=C/c3ccc(O[C@@H](C)C(=O)O)cc3)cc2)cc1 408852000 PDGGIEDEBPMVAT-WTJYETQFSA-N 391.423 5.090 30 40 GKEB CCc1ccccc1/N=C1\S/C(=C/c2cn(C)c3ccccc23)C(=O)N1CC 408908105 DMZFRDGPZLSHKE-NFEGURHZSA-N 389.524 5.365 30 40 GKEB C/C(=N\OCc1c(Cl)cccc1Cl)[C@@H]1C[C@H]1c1ccc(C(C)C)cc1 4084886 AWHIOBRWISNHCM-LUZZDJJGSA-N 376.327 6.813 30 40 GKEB COc1ccccc1-c1ccc(/C=C/C(=O)c2ccc(Br)cc2)o1 4994977 MAEQNTXYRMCIDG-ZRDIBKRKSA-N 383.241 5.614 30 40 GKEB O=C1N/C(=N/c2ccc(Cl)cc2Cl)S/C1=C\c1ccccc1Cl 5550971 NHPIXIMNTUVDOX-AUWJEWJLSA-N 383.687 5.538 30 40 GKEB c1ccc(-c2c(-c3ccccc3)n(C[C@H]3CO3)c3c2ccc2ccccc23)cc1 5660621 QBGSYRNMDJJQCY-QFIPXVFZSA-N 375.471 6.527 30 40 GKEB C=CCOc1c(Cl)cc(CNc2ccc(Cl)c(Cl)c2)cc1Cl 6295834 GWDNLRKANPRREZ-UHFFFAOYSA-N 377.098 6.477 30 40 GKEB C=CCc1ccc(O)c(-c2cc(CC=C)cc(-c3ccc(O)c(CC=C)c3)c2O)c1 15148442 FAERQKZGOCHVNC-UHFFFAOYSA-N 398.502 6.323 30 40 GKEB biogenic O=C(/C=C/c1ccccc1)Oc1ccc(C(=O)/C=C\c2ccc(Cl)cc2)cc1 31872617 USUVUSDICXDFMW-VAQFQWRASA-N 388.850 5.855 30 40 GKEB C=CCOC(=O)c1ccc2c(c1)c1cc(C(=O)OCC=C)ccc1n2CCCC 73634151 KXRALZZPXDRELT-UHFFFAOYSA-N 391.467 5.280 30 40 GKEB CC(C)(C)N(CC#CC[C@@](O)(c1ccccc1)C1CCCC1)Cc1ccccc1 96194478 GNVIQKGQOCQHKI-HHHXNRCGSA-N 389.583 5.759 30 40 GKEB C=C1CC[C@H](O)C/C1=C/C=C1/CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C 100618085 MECHNRXZTMCUDQ-VPHKPNIXSA-N 396.659 7.641 30 40 GKEB CCCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)c(C#N)c1 225761567 HECICVOBVNFORX-UHFFFAOYSA-N 394.490 5.717 30 40 GKEB C[C@]12CCCC[C@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(O)C#Cc1ccccc1 253596850 WMAFYLBLTLVKOY-HAGPKJFTSA-N 376.584 6.202 30 40 GKEB COc1ccc(Cl)cc1-n1c(C)cc(/C=N/OCc2ccccc2C#N)c1C 408595990 YMIHKHFLUWBOJJ-DHRITJCHSA-N 393.874 5.179 30 40 GKEB Brc1cc(/C=N/c2ccc3ncccc3c2)oc1Br 408952152 KNJBXJMWQDDHMF-QGMBQPNBSA-N 380.039 5.103 30 40 GKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc(C(C)=O)cc3)c2C)c1 408966723 NCOPOEYRHCQJSZ-MFKUBSTISA-N 388.467 5.224 30 40 GKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1cc(Cl)c(O)c(Cl)c1 409074080 XRRUWDYTBPDNBP-CGOBSMCZSA-N 394.136 5.072 30 40 GKEB COC(=O)c1ccc(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)cc1 409086595 WCTWIPFYHZRZAP-CVKSISIWSA-N 389.495 5.397 30 40 GKEB Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2cccc3ccccc23)cc1C 409200870 JVVBWIWXROVYSH-LQKURTRISA-N 399.921 7.440 30 40 GKEB Oc1ccc(/C=N/c2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)c(O)c1 1435152 QBLDBHYNQVDPKC-AUEPDCJTSA-N 399.233 5.963 30 40 GKEB N#Cc1c(SCc2cccc(Cl)c2)nc(-c2ccccc2)c2c1CCCC2 2308335 DDEVXLJWTBAUQE-UHFFFAOYSA-N 390.939 6.445 30 40 GKEB Cc1ccc(/N=C/c2c(OC(=O)c3ccc(Cl)cc3)ccc3ccccc23)cc1 3168196 RFIQMRWABCWLEG-JVWAILMASA-N 399.877 6.771 30 40 GKEB CCOc1cc(/C=N/c2ccc(C)cc2C)cc(Br)c1OCC 6959595 OLIRHYPBSNLTRI-CIAFOILYSA-N 376.294 5.614 30 40 GKEB CCCOc1ccc(/C=N\Nc2nc(-c3ccccc3)c(C)s2)cc1OC 31833902 FADGGISVECLYEF-HMAPJEAMSA-N 381.501 5.362 30 40 GKEB CCCCCCCCCCCC[N+](C)(C)CCOC(=O)Nc1ccccc1 59042385 JHESANLZHQKMDV-UHFFFAOYSA-O 377.593 6.232 30 40 GKEB CCCCCCCNCc1cc(Cl)c(OCc2ccccc2F)c(OC)c1 102568156 GECQOMXTOJXZDF-UHFFFAOYSA-N 393.930 6.127 30 40 GKEB Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)C[C@@H]1C[C@@H]2CC[C@@H]1C2 103075087 DSYKZZSJNICPPN-UIFIKXQLSA-N 376.475 5.365 30 40 GKEB CC/N=C1/S/C(=C/c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)C(=O)N1CC 408930529 YEOTUVPRXXOBOS-IZSQXYTLSA-N 395.572 5.530 30 40 GKEB C[C@H]1OC1(c1ccc(OC(F)(F)F)cc1)c1ccc(OC(F)(F)F)cc1 1083810966 FAMDUVMZLWIKME-SNVBAGLBSA-N 378.268 5.146 30 40 GKEB N#Cc1c(-c2ccccc2)c(-c2ccccc2)n(CCc2ccc(F)cc2)c1N 1440048 SOKJLGFXOCHIRA-UHFFFAOYSA-N 381.454 5.658 30 40 GKEB Cc1ccc(-c2nc3cc(/N=C/c4cccc(Cl)c4Cl)ccc3o2)c(C)c1 1881352 FBEZZYHTJUDCEJ-BRJLIKDPSA-N 395.289 7.169 30 40 GKEB C#CCn1c(SCc2ccc(C)cc2)nc(-c2ccccc2)c1-c1ccccc1 3047489 SQLXFIDXPCRLCU-UHFFFAOYSA-N 394.543 6.451 30 40 GKEB COc1ccc(/C=C(/C(=O)c2ccc(OC)cc2)c2nc3ccccc3[nH]2)cc1 4864465 HONZYNSDLDVSFM-HKWRFOASSA-N 384.435 5.004 30 40 GKEB COc1ccc(/C=N/Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1 5002599 QKYHZAFNKKHQDI-KOEQRZSOSA-N 380.451 5.265 30 40 GKEB N#Cc1c(NC(=O)c2ccccc2)n(C2CCCCC2)c2nc3ccccc3nc12 6681600 CCJPIRQWQPZPSQ-UHFFFAOYSA-N 395.466 5.214 30 40 GKEB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)O/N=C/c1ccc(C(C)(C)C)cc1 7718642 XFCHKWBXDWQKKX-AZRIMCKBSA-N 380.532 5.875 30 40 GKEB CC(=O)O/N=C(\C)CC/C=C(/C)CC[C@@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@]12C 9635656 NQRNQFVQINDGPA-OSYRHGPBSA-N 387.608 7.231 30 40 GKEB O=C(/C=C/c1ccco1)c1ccc(-n2nncc2C23CC4CC(CC(C4)C2)C3)cc1 12574558 VKSIEYGUUJSVOK-BQYQJAHWSA-N 399.494 5.224 30 40 GKEB CC(C)Oc1ccc(C(=O)/C(=C/c2cccnc2)c2nc3ccccc3o2)cc1 12587025 IMOYZDAINATAKQ-ZHZULCJRSA-N 384.435 5.434 30 40 GKEB N#CCSc1nnc(-c2ccc(F)cc2)n1-c1ccc(SC(F)F)cc1 12644291 IILPYPHITNUZHF-UHFFFAOYSA-N 392.431 5.004 30 40 GKEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(C(C)C)cc1 13635117 GYLFTRFCTUXMLM-JOCHJYFZSA-N 387.483 5.178 30 40 GKEB O=C(/C=C/Nc1ccc(Oc2ccccc2)cc1)c1ccc(Br)cc1 32100166 ZIIQTAASHJLKPO-CCEZHUSRSA-N 394.268 6.050 30 40 GKEB Cc1cccc(/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c1C 102941365 CTWDMRSBMOHENM-YDZHTSKRSA-N 381.317 6.224 30 40 GKEB CCCCCCCC[C@H]1O[C@H]1CCCCCCCC(=O)N1CCN(C)CC1 104109787 NSJGDYUFCVUWFO-YADHBBJMSA-N 380.617 5.009 30 40 GKEB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)c(C#N)c1 225682236 MCEHGKMNAYZHQF-INIZCTEOSA-N 380.463 5.325 30 40 GKEB CCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)c(C#N)c1 225761512 FWWWXGBOZIRJDQ-UHFFFAOYSA-N 380.463 5.327 30 40 GKEB CCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)cc1C#N 225768325 CQOSFZHZSBCNHU-UHFFFAOYSA-N 392.499 5.196 30 40 GKEB C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1C/C(=C\c1cccc(F)c1)C2=O 253497870 XTIQNVKIJGLRLG-XZHIBQGTSA-N 380.547 6.821 30 40 GKEB C=CCOc1ccc(/C=C2/S/C(=N\c3ccccc3CC)N(CC)C2=O)cc1 408916223 WEWQMSRUVWRABC-RERTVAKNSA-N 392.524 5.438 30 40 GKEB CCCCCCCC(=O)Nc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1 3088123 RONYOOSMFZFYPB-UHFFFAOYSA-N 388.511 6.391 30 40 GKEB biogenic Cc1ccc2nc(N/N=C/c3ccc4cccnc4c3)nc(-c3ccccc3)c2c1 4058983 ZHXHAHWOWPDGEK-JVWAILMASA-N 389.462 5.599 30 40 GKEB C/C(=N\Nc1nc(-c2ccc(Cl)cc2)nc2ccccc12)c1ccc(C)cc1 4844411 VCHWSUXCCVYRKJ-JVWAILMASA-N 386.886 6.095 30 40 GKEB O=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccc3oc(-c4ccccc4)nc3c2)c1O 5005943 FMLAMLDDWWZLTG-SSDVNMTOSA-N 393.786 5.513 30 40 GKEB C(=N/n1cnnc1SCc1ccccc1)\c1cccc(Oc2ccccc2)c1 5486705 QNMPQYDZPSMOQN-BUVRLJJBSA-N 386.480 5.245 30 40 GKEB C=CCn1c(S[C@H]2CCCCC2=O)nnc1-c1ccc(Cl)cc1Cl 5535895 OQMBFLMDISONKL-HNNXBMFYSA-N 382.316 5.042 30 40 GKEB CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccnc1 8438751 UOMLPGDCACEVAQ-NRFANRHFSA-N 392.499 5.020 30 40 GKEB CC[C@@]1(c2ccccc2)CCCC/C1=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 17105803 DDDFWQHZAHRAMW-UUZBPDLYSA-N 382.420 5.193 30 40 GKEB C=CCSc1ncc(-c2ccc(Br)cc2)n1Cc1ccco1 44085406 MYSODDBEXPQICM-UHFFFAOYSA-N 375.291 5.232 30 40 GKEB Oc1ccc(Cl)cc1/C=N\CCCCCC/N=C\c1cc(Cl)ccc1O 104063604 MJEDAFLTUJSUIS-GACBQCINSA-N 393.314 5.503 30 40 GKEB CCCCCCCCCCCCN[C@@H](c1ccccc1)[C@H](O)c1ccccc1 104347848 OXGAUKCISNQVTM-IZZNHLLZSA-N 381.604 6.972 30 40 GKEB C=CCc1cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)ccc1OCC 408761840 HJVZYEVCMNPWFH-QNGOZBTKSA-N 392.524 5.268 30 40 GKEB O=[N+]([O-])c1ccc(N/N=C\c2ccccc2OCc2ccc3ccccc3c2)cc1 408908831 DJIFEZMIJLHJDK-XYGWBWBKSA-N 397.434 5.773 30 40 GKEB N#Cc1ccccc1COc1ccc(/C=N\Nc2ccc(C(F)(F)F)cc2)cc1 408942300 XHEJDYHMKWUNNA-VYYCAZPPSA-N 395.384 5.602 30 40 GKEB CC1=Nc2ccccc2N2C1=CC1=C(C(=O)c3cc4ccccc4cc3C1=O)[C@H]2C 5550793 ZGSORSLZANXNSS-OAHLLOKOSA-N 390.442 5.414 30 40 GKEB O=[N+]([O-])c1ccc(/C=C\c2ccccc2/C=N\Nc2ccccc2)c([N+](=O)[O-])c1 33368251 FLJIBYMNFLZBJD-NEPSEBJZSA-N 388.383 5.119 30 40 GKEB Cc1ccc(N/N=C(\C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)c(C)c1 33518485 LYQUIFWVNPOOEW-SZXQPVLSSA-N 388.540 5.965 30 40 GKEB CCCCCCCCCCCCC/C(=N\O)c1cccc(OCCCC)c1 59608430 IBSPQKZBGXISST-OCOZRVBESA-N 375.597 7.745 30 40 GKEB C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(Cl)c(Cl)c1 65453264 JDDBGQKAIUGOGN-LBPRGKRZSA-N 395.311 5.405 30 40 GKEB CCCCCCCOc1ccc(NC(=O)[C@H](C)Oc2ccc(CC)cc2)cc1 97940381 HSNQGTZUTWFQBG-IBGZPJMESA-N 383.532 6.004 30 40 GKEB C=CCOc1cccc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)c1 214077346 VVMYLMFDLJGDKR-LDADJPATSA-N 385.872 5.141 30 40 GKEB COc1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc12 409093567 ASVNADVVKFQTSE-FOKLQQMPSA-N 389.333 5.221 30 40 GKEB CCc1cccc2c(C=C3C(=O)c4ccccc4C3=O)cn(Cc3ccccc3)c12 409123500 CFZJSISSGPEBIJ-UHFFFAOYSA-N 391.470 5.715 30 40 GKEB Cc1cccc(-c2nc3cc(/N=C/c4c(O)ccc5ccccc45)ccc3o2)c1 864771 WOFGQIDSJCPNTH-CVKSISIWSA-N 378.431 6.413 30 40 GKEB COc1ccc(-c2oc3c(C(C)(C)C)ccc4c3c2C=C(C(C)(C)C)C4=O)cc1 2267218 JEVCOPVVFNMEBN-UHFFFAOYSA-N 388.507 7.032 30 40 GKEB N#Cc1ccc(-c2ccc(F)cc2)nc1Sc1ccc(Br)cc1 3128333 MLJRARPTBIVKKO-UHFFFAOYSA-N 385.261 5.673 30 40 GKEB COc1ccc(OC)c([C@H]2C3=C(CCCC3=O)Nc3ccc4ccccc4c32)c1 4930273 VRXVRERCBSXXOD-XMMPIXPASA-N 385.463 5.422 30 40 GKEB Fc1ccc(COc2ccccc2/C=N/Nc2nc3ccccc3s2)cc1 4974127 ZYKFKMCNFUYXCP-YDZHTSKRSA-N 377.444 5.460 30 40 GKEB Cc1ccc(/C(=N/C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)cc1 5259036 AFDVTNADQCOMNE-BSYVCWPDSA-N 378.815 5.234 30 40 GKEB COc1ccc(/N=C/c2cc(Br)ccc2OCc2ccccc2)cc1 8116497 DVDKTBWXLQWALF-OEAKJJBVSA-N 396.284 5.787 30 40 GKEB COc1ccccc1CN/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1 20761711 VAJWVITVNPUUSO-FSJBWODESA-N 375.255 5.386 30 40 GKEB O=[N+]([O-])c1ccc(N/N=C\c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 33787478 UKOMULPFZLPYFN-XKZIYDEJSA-N 381.819 5.273 30 40 GKEB CCCCOc1ccc(C(=O)/C=C/Nc2ccc(Br)cc2F)cc1 44843182 LBTQTRMTIUUJKI-ZHACJKMWSA-N 392.268 5.576 30 40 GKEB CC(C)c1ccc(C(=O)/C=C/Nc2ccc(I)cc2)cc1 51318684 SSXSWAOTQVZRGR-VAWYXSNFSA-N 391.252 5.223 30 40 GKEB F/C=C(\F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 97950183 IBDDYNPOMOFBDI-UPHRSURJSA-N 382.066 5.506 30 40 GKEB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1C/C(=C\c1ccccc1)C2=O 118916175 XVNNBSPKVRWTLT-IFGMNMRVSA-N 378.556 5.653 30 40 GKEB C=CCc1cc(C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)ccc1OC 218657799 UEPLVUCKTFHGGD-IBGZPJMESA-N 392.543 5.151 30 40 GKEB O=C(O)c1ccc(Cn2cc(/C=N\c3ccc(Cl)cc3)c3ccccc32)o1 408545441 YTZZQJBMPIYWFK-KSEXSDGBSA-N 378.815 5.385 30 40 GKEB COc1ccc(NC(=O)COc2ccc(/C=N\c3cccc(Cl)c3)cc2)cc1 408803717 SNIAUTROWUMPCK-OYKKKHCWSA-N 394.858 5.117 30 40 GKEB Brc1ccccc1/N=C\c1cc(Br)c(N2CCCC2)o1 408850174 HKRXZSZKCSKYCV-ZDLGFXPLSA-N 398.098 5.155 30 40 GKEB CC[C@@H](C)N1C(=O)/C(=C\c2ccc(OC)c(C)c2)S/C1=N\c1ccc(C)cc1 408913558 MYFVBSCRXBIGAB-QIZRFRSPSA-N 394.540 5.715 30 40 GKEB Cc1ccc(/N=C/c2ccccc2OCc2ccc(C(=O)O)cc2)cc1Cl 408959695 DJHSBASMMJYHOU-ZMOGYAJESA-N 379.843 5.676 30 40 GKEB COc1cccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1OC 409092114 VDTDFTFYPIMCSQ-MMTYYTLLSA-N 382.529 5.539 30 40 GKEB CCOc1ccc(-n2c(C)cc(/C=N/c3ccc(N(CC)CC)cc3)c2C)cc1 409187518 RLFVLBFFUUQEEX-NLRVBDNBSA-N 389.543 6.090 30 40 GKEB COc1ccccc1[C@@H]1CCCCCC[C@H]1OS(=O)(=O)c1ccc(C)cc1 1725323 HIXCEEZJIGIVRB-RBBKRZOGSA-N 388.529 5.216 30 40 GKEB C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OCc3ccccc3)CC[C@@H]12 4292938 QEMRLLBWDDHJTM-FRSCJGFNSA-N 376.540 5.880 30 40 GKEB biogenic CC(C)(C)c1cc2oc3c(c2c(/C=N/CCCn2ccnc2)c1O)CCCC3 5613738 FAYLLGFCLLZDHO-ZVHZXABRSA-N 379.504 5.020 30 40 GKEB C=CCn1c(C)cc(C(=O)COC(=O)c2ccccc2Nc2ccccc2)c1C 6038172 JSRGZAGHLYHWLL-UHFFFAOYSA-N 388.467 5.074 30 40 GKEB Cc1ccc(N/C=C\C(=O)c2ccc(I)cc2)cc1Cl 6215934 BQQXLFJYLRBESJ-HJWRWDBZSA-N 397.643 5.062 30 40 GKEB Cc1cc(C)cc(N/C(S)=C(/C(=O)c2cccs2)[n+]2cccc(C)c2)c1 7611303 FDJJRPPZGCROLE-UHFFFAOYSA-O 381.546 5.012 30 40 GKEB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 7814552 VSYFAWYWSHRXAD-INIZCTEOSA-N 391.854 5.560 30 40 GKEB Cc1ccccc1CN1C(=O)[C@H](C)S/C1=N\N=C\c1cccc2ccccc12 13564511 MPHAHWLFVVSQTN-FHALBHEESA-N 387.508 5.002 30 40 GKEB O/C(CCN(Cc1cccs1)C[C@H]1CCCO1)=N\c1cccc2ccccc12 28887760 RLZNTLMRNBDOMS-LJQANCHMSA-N 394.540 5.561 30 40 GKEB O=C1/C(=C/Nc2cccc(Oc3ccccc3)c2)CCc2c1[nH]c1ccccc21 100329869 DLFLSKGXSGCWSY-WUKNDPDISA-N 380.447 6.085 30 40 GKEB ClC12C[C@H]3C[C@H](C1)CC(C/N=C\c1cccc(Oc4ccccc4)c1)(C3)C2 100846415 VDBYDPWWFUICLK-VYKISINTSA-N 379.931 6.476 30 40 GKEB O/N=C1/[C@H]2CC[C@H](C2)[C@@H]1Sc1nc(-c2ccccc2)c(-c2ccccc2)o1 100928293 QVLKDXFKSIJEKM-CKBOYPSKSA-N 376.481 5.729 30 40 GKEB CC1(C)[C@@H]2CC[C@]1(C)C/C2=N/Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 103663400 QUCPONURMQLKQU-NMKIYKSRSA-N 394.371 6.731 30 40 GKEB CCCCCCCCCCCCNC(=S)N/N=C/C(C)=C/c1ccccc1 104386662 BWONBQIZMOWFQC-FGLPBDMHSA-N 387.637 6.461 30 40 GKEB COc1ccc(/N=C/C=C(\Nc2ccc(OC)cc2)c2ccc(Cl)cc2)cc1 104846507 TWARHCROYGEYOZ-DDDAEUOASA-N 392.886 6.213 30 40 GKEB Cc1ccc(/C=C2/C[C@@H]3[C@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)o1 253498563 MWZAYFFYSWKEHF-QALGQOFCSA-N 380.528 5.474 30 40 GKEB CCCCCCCCOc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1 408586138 LKPHACBWYNAQLC-UHFFFAOYSA-N 394.342 6.985 30 40 GKEB Cc1cc(-c2nc3ccccc3o2)ccc1/N=C/c1c(O)ccc2ccccc12 725330 BLBBOAILPDRKCB-CVKSISIWSA-N 378.431 6.413 30 40 GKEB CCc1ccc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)cc1 870004 WBURBRWIKXNCLT-VWLOTQADSA-N 382.507 6.107 30 40 GKEB Clc1ccccc1-c1nc2cc(/N=C/c3ccc4c(c3)OCO4)ccc2o1 2751461 YQDSBTHZUBEDJF-FOKLQQMPSA-N 376.799 5.628 30 40 GKEB COc1ccc(Sc2ccc(NC(=O)c3c(F)cccc3F)cc2C#N)cc1 3104536 VNOIIPJSPJPWEC-UHFFFAOYSA-N 396.418 5.249 30 40 GKEB COc1ccc(N(/C=C2\Sc3ccccc3C2=O)C(=O)c2ccccc2)cc1 4822518 JGDUZCSRDZKMLI-QNGOZBTKSA-N 387.460 5.172 30 40 GKEB CCOc1ccc(/N=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 6962534 UOCCDYRLQZEAGX-MFKUBSTISA-N 395.886 6.077 30 40 GKEB COc1cc(/C=N/c2ccccc2)cc(Cl)c1OCc1ccccc1Cl 8111237 GYHYJQNRICLBLA-ZMOGYAJESA-N 386.278 6.332 30 40 GKEB Cc1c(Cl)cccc1/N=C/c1cc(Cl)ccc1OCc1ccc(F)cc1 8277824 PIILMACUIRGQMI-BRJLIKDPSA-N 388.269 6.771 30 40 GKEB C=CCn1c(SCc2ccc(Br)cc2)nnc1-c1cccs1 10303632 BXNGKHCSSGEHSS-UHFFFAOYSA-N 392.347 5.247 30 40 GKEB Cc1n[nH]c2c1[C@H](c1ccc(Cl)cc1)C1=C(C[C@H](c3cccs3)CC1=O)N2 18197790 AQQLIJICJLICLL-DJJJIMSYSA-N 395.915 5.391 30 40 GKEB N#Cc1ccccc1Sc1ccccc1C(=O)NCCc1ccc(Cl)cc1 36694984 BVXOKMDYYJGGJZ-UHFFFAOYSA-N 392.911 5.335 30 40 GKEB Ic1ccc(/N=C/c2ccc(N3CCCCC3)cc2)cc1 59104649 OGKLNJGQMURBPC-XSFVSMFZSA-N 390.268 5.032 30 40 GKEB CC/C(C)=N\Nc1nc2ccc(NC(=O)c3cc4ccccc4o3)cc2s1 72229692 ZVLBUJHPNNWKTD-FMCGGJTJSA-N 378.457 5.493 30 40 GKEB C/C(CC(=O)c1ccccc1)=N/CCCC/N=C(\C)CC(=O)c1ccccc1 104207959 DEOSFAQXYILCQW-GAHATOAQSA-N 376.500 5.234 30 40 GKEB Cc1cc2c(cc1/C=N/Nc1ccc([N+](=O)[O-])cn1)[C@H](C)CC(C)(C)N2C(C)C 223588027 VMYWNDFZSMKRQO-UPVZUOOXSA-N 395.507 5.245 30 40 GKEB COc1ccc([C@H](CC#N)[C@H](C#N)c2ccc(Cl)cc2Cl)cc1OC 1084372 HSFRTCRSRLGYCS-HOCLYGCPSA-N 375.255 5.315 30 40 GKEB Fc1cc(Br)cc(Cl)c1OC(F)(F)[C@H](F)C(F)(F)F 2575680 PUFFLGSHGUPXBD-SSDOTTSWSA-N 375.465 5.114 30 40 GKEB COc1ccc(Sc2ccc(NC(=O)c3ccc(F)cc3)cc2C#N)cc1 3104538 XMJFNTXDVNBXCU-UHFFFAOYSA-N 378.428 5.109 30 40 GKEB COc1ccc2cc(-c3nc4ccccc4[nH]3)/c(=N/c3cccc(C#N)c3)oc2c1 5125671 DSZNVWNQKGPPDI-LCUIJRPUSA-N 392.418 5.089 30 40 GKEB COc1ccc(/C=C/C(=O)c2cccc(C(=O)/C=C/c3ccc(OC)cc3)c2)cc1 5513452 IPABLGMAPCTPSM-OTYYAQKOSA-N 398.458 5.496 30 40 GKEB O=C(c1ccccc1)c1ccccc1N/C=C\C(=O)c1cccc2ccccc12 5616724 JUVAGFXPUBAXEO-ZCXUNETKSA-N 377.443 5.879 30 40 GKEB O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccc(Cl)cc2Cl)c1O 6220084 LFGWUOKVYFJMSD-UBKPWBPPSA-N 390.020 5.120 30 40 GKEB N#C[C@](Cc1ccccc1)(c1ccccc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 6282373 GPCHYAHWICKYDR-OAQYLSRUSA-N 396.368 5.666 30 40 GKEB CC(=O)Nc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 6295983 CMIQHQDKMCHDJI-CBFMJHRQSA-N 379.529 5.480 30 40 GKEB CCCCCCCCCCCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 8396398 SUDPYGCLNHFYFV-UHFFFAOYSA-N 385.552 5.344 30 40 GKEB Cc1ccc(C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2nc3ccccc3o2)cc1 12946054 RAJKYBNEGWVZIJ-RGEXLXHISA-N 384.391 5.468 30 40 GKEB CSc1nc(Nc2cc(Cl)cc(Cl)c2)c(C#N)c(-c2ccccc2)n1 19820759 LGKARZVBMHXEIA-UHFFFAOYSA-N 387.295 5.788 30 40 GKEB C=CC[n+]1c(-c2ccc(Cl)cc2Cl)csc1Nc1ccccc1C 26570029 CEYRYKYEWSKRCZ-UHFFFAOYSA-O 376.332 6.247 30 40 GKEB Cc1ccc(Oc2ccc(/N=C/c3cc(F)c(N4CCCC4)cc3C)cc2)cc1 33663590 BKZGSMRQCDBOON-WPWMEQJKSA-N 388.486 6.586 30 40 GKEB CC[C@@H]1S/C(=N\N=C\c2ccccc2)N(Cc2cccc3ccccc23)C1=O 36093478 AXNFSPPJHCLVRS-DZRHBTRISA-N 387.508 5.084 30 40 GKEB CCCCCCCCCCCNc1cc(C)c(C#N)c2nc3ccccc3n12 50861241 FZDFQZNMIKSABN-UHFFFAOYSA-N 376.548 6.610 30 40 GKEB FC(F)(F)c1cc(C(F)(F)C(F)(F)C(F)(F)F)nn1-c1ccccc1 95671189 UODSQAMBNBPDIE-UHFFFAOYSA-N 380.185 5.181 30 40 GKEB C=CCOc1cccc(NC(=S)N[C@@H](CC(C)C)c2ccc(OC)cc2)c1 225500975 JJJPWCSNTOWGOU-NRFANRHFSA-N 384.545 5.334 30 40 GKEB C=CCOc1cccc(NC(=S)NCCCSCc2ccccc2F)c1 225613300 WPROARWWHRLCLM-UHFFFAOYSA-N 390.549 5.000 30 40 GKEB O=C(/C=C/c1ccccc1OCc1ccc(Br)cc1)c1ccccc1 408625868 ZKKSQHXYMKWHPF-NTCAYCPXSA-N 393.280 5.924 30 40 GKEB C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2cccc(O)c2)S/C1=N\c1ccccc1 408862562 HGWVHFCUGGZIPY-JXOGPBKYSA-N 392.524 5.575 30 40 GKEB COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)cc1C 408916416 XGPQIWVVQRJJBU-DYEBMTOPSA-N 380.513 5.324 30 40 GKEB C=CCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3Cl)cc2)C1=O 409065741 MMWIUVNBPNUVLP-LDADJPATSA-N 385.872 5.141 30 40 GKEB C=CCOc1c(Br)cc(CNc2ccc(CC)cc2)cc1OC 409120811 UQMQPQWZOCMYOU-UHFFFAOYSA-N 376.294 5.197 30 40 GKEB Fc1cccc(Cn2ccc3cc(/C=N/c4ccc5ccccc5c4)ccc32)c1 409238836 NZIACFOBGIHMHU-OGLMXYFKSA-N 378.450 6.733 30 40 GKEB O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2cccs2)COc2ccccc21 3357952 NINRYUYMXDXDSW-GHRIWEEISA-N 384.460 5.260 30 40 GKEB FC(F)(F)c1cc(C(F)(F)F)c2ccc(N/N=C/c3cccs3)nc2n1 4052701 ARCYQOATYCXIRG-QPJQQBGISA-N 390.312 5.175 30 40 GKEB Oc1c(Br)cc2oc3c(c2c1/C=N/C1CCCCCC1)CCCC3 4806200 HMAFEQLXFOKXTO-WSDLNYQXSA-N 390.321 5.921 30 40 GKEB Clc1ccc(COc2cccc(/C=N/NCc3ccccc3Cl)c2)cc1 8811601 LTSYDGPNVDPMBY-ZMOGYAJESA-N 385.294 5.696 30 40 GKEB CCCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(OC)cc1)C2 97939889 VPJLOADVTAJGRE-SFHVURJKSA-N 397.515 5.372 30 40 GKEB Cc1cc(N(CCC#N)CCC#N)ccc1/N=N\c1cc(Cl)ccc1Cl 104283881 YOLIPHNSVNCXLF-IZHYLOQSSA-N 386.286 6.351 30 40 GKEB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1CC/C2=N\N=C/C=C\c1ccccc1 110986267 CNATZRJRPIOVRF-KRPGWOLCSA-N 398.550 6.389 30 40 GKEB N#Cc1c(NC(=O)CN2CCCCCC2)oc(-c2ccccc2)c1-c1ccccc1 408582673 OTIRKEYRYSSTNC-UHFFFAOYSA-N 399.494 5.300 30 40 GKEB CCn1c(N/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)nc2ccccc21 408692287 JBUHDUZUSYUTPE-FSJBWODESA-N 399.281 6.069 30 40 GKEB CCCOc1ccc(/C=C2\SC(=Nc3ccc(C)c(Cl)c3)NC2=O)cc1 408739682 ZKBINXFLRGXVGL-WQRHYEAKSA-N 386.904 5.329 30 40 GKEB Cc1cc(/C=N\c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408952809 VXFOUDUTVBQBIP-JJFYIABZSA-N 397.818 5.105 30 40 GKEB Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(F)c2)cc1 1076908 WJALYJZEKZQZGL-SIBVEZHUSA-N 398.481 6.114 30 40 GKEB N#Cc1cccc(CSc2nnc(COc3ccccc3Cl)n2C2CC2)c1 4791070 CDYQQFXNLMAYSX-UHFFFAOYSA-N 396.903 5.009 30 40 GKEB C=CCc1c(C)nc(-c2ccccc2)nc1N/N=C(\C)c1ccc(Cl)cc1 4811433 VCKGRBBLEXOHDC-CVKSISIWSA-N 376.891 5.670 30 40 GKEB CCCCOc1ccc(/C=N/Nc2cc(C)nc(NCc3ccccc3)n2)cc1 4980540 UXSTXDVLVZFBGI-KOEQRZSOSA-N 389.503 5.022 30 40 GKEB COc1ccc(NC(=S)/N=C(\Nc2ccccc2)c2ccc(C)cc2)cc1 6390551 CHYUWTGFYLCVOL-UHFFFAOYSA-N 375.497 5.259 30 40 GKEB CCOc1c(Cl)cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1OC 6958112 FVMDJMDWGITOEE-BUVRLJJBSA-N 381.859 6.290 30 40 GKEB CCCCCCCCCCCCCCCC(=O)Nc1nnc(SCC)s1 8453321 YQYAQWJDYKMXPW-UHFFFAOYSA-N 399.670 7.070 30 40 GKEB CC1(C)[C@H]2CC[C@]1(C)/C(=N\Nc1ncc(-c3ccc4ccccc4c3)s1)C2 17282433 OLJYBWWEEIPPRM-FDEOQOQWSA-N 375.541 6.577 30 40 GKEB COC(=O)c1ccc(/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)cc1 33699304 ULRHPGFOKRLTMP-SRZZPIQSSA-N 384.775 5.045 30 40 GKEB O=C1/C(=C\c2ccc(Cl)c(Cl)c2)[C@@H](c2ccccc2)Oc2ccccc21 96766957 DONKFICKODECEJ-YAECTWJJSA-N 381.258 6.393 30 40 GKEB CCCCCCCCCCCCc1ccc(-c2ccc(CCCCC)cn2)cc1 98000489 XXFVNEOAZPFODY-UHFFFAOYSA-N 393.659 8.945 30 40 GKEB CCCCCCCNCc1ccc(OCc2cccc(Cl)c2)c(OC)c1 102565146 HEFCVAIRKLINDH-UHFFFAOYSA-N 375.940 5.988 30 40 GKEB CCCCCCCCCCCCNC(=O)C(=O)Nc1ccccc1C(C)(C)C 408707766 DXCDJDVFYRKTOJ-UHFFFAOYSA-N 388.596 5.960 30 40 GKEB CCc1ccccc1-n1c(C)cc(/C=N\c2ccc(Br)cc2C)c1C 408964994 FHGFYJYWTRQBKQ-OYKKKHCWSA-N 395.344 6.478 30 40 GKEB Cc1ccc(Sc2ccc([N+](=O)[O-])cc2/C=N\c2cccc(Cl)c2)cc1 409120353 VNLWULHUTJPCMF-XKZIYDEJSA-N 382.872 6.458 30 40 GKEB CCOc1ccc(-n2c(C)cc(/C=N/c3ccc(-c4ccccc4)cc3)c2C)cc1 409188057 WQXUHSXGDOEORQ-TURZUDJPSA-N 394.518 6.910 30 40 GKEB Cc1cccc(/N=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)c1C 409202860 UBEQJJAFXNHGCY-MXAYSNPKSA-N 384.306 6.940 30 40 GKEB CCCN1C(=O)/C(=C/c2c(C)[nH]c3ccccc23)S/C1=N\c1ccccc1 1014006 ZSCAJMSZMULFPM-NJMAKWBESA-N 375.497 5.490 30 40 GKEB Oc1cc(/N=C/C=C/c2ccc(Cl)cc2)ccc1-c1nc2ccccc2s1 2894692 MJTUEXPXSBQJCT-CGIFWJFOSA-N 390.895 6.738 30 40 GKEB Fc1ccccc1/C=N/OCc1ccc(CO/N=C/c2ccccc2F)cc1 5470770 YIJQFKIESUMONK-BKHCZYBLSA-N 380.394 5.066 30 40 GKEB CC(C)CCOc1ccc(/C=N/Nc2cc(C(F)(F)F)ccc2Cl)cc1 6375346 MEIQWEPWLVEEAH-WYMPLXKRSA-N 384.829 6.230 30 40 GKEB CCOc1c(Br)cc(/C=C/C(=O)c2ccc(C)cc2)cc1OC 6537014 HOMFXTUEDYEGRJ-JXMROGBWSA-N 375.262 5.061 30 40 GKEB COc1ccc(/C=C2\C[C@H]3[C@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]3(C)C2=O)cc1 10272246 QMUTWRBFFVDYDU-LDDHGXPRSA-N 388.507 5.520 30 40 GKEB O=S(=O)(/N=C(/Nc1cccc2ccccc12)c1ccccc1)c1ccccc1 12378365 RMMGGMXYRLDWQD-UHFFFAOYSA-N 386.476 5.087 30 40 GKEB Cc1cc(O)c(C(C)C)cc1/N=C1\NC(=O)S\C1=C/c1ccc(N(C)C)cc1 15057216 CYKIYBXMPGLOSE-JAIQZWGSSA-N 395.528 5.418 30 40 GKEB Clc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1 59471641 KELVDCOUUNGIGF-FCLXTIGESA-N 384.910 6.917 30 40 GKEB CCN1c2ccc(/C=N/c3ccc(N4CCOCC4)cc3)cc2C(C)=CC1(C)C 198159200 YAJSESIBXWWZQS-NLRVBDNBSA-N 389.543 5.296 30 40 GKEB Cc1c(Cl)cccc1N/N=C1\C(=O)N(C2CSC2)c2ccc(C(C)C)cc21 223728411 LEONNPKLITUAMT-GFMRDNFCSA-N 399.947 5.050 30 40 GKEB CCCCCCCCOc1ccc(/C=C2/SC(=S)NC2=O)cc1OCC 408538841 CJESXXWYUOIDFV-NBVRZTHBSA-N 393.574 5.313 30 40 GKEB CCCOc1ccccc1/C=C1/S/C(=N\c2ccccc2CC)N(C)C1=O 408907297 AUPMLFKIPOHPSF-OCIPIQTLSA-N 380.513 5.272 30 40 GKEB Cc1ccc(/N=C/c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)cc1C 409376019 SGMZHPYAEHDTKR-CVKSISIWSA-N 386.495 5.688 30 40 GKEB CCCCCCCCNc1c2c(nc3c(C)cc(C)cc13)CC(C)(C)CC2=O 2090385 CXSOLNASQSZNPR-UHFFFAOYSA-N 380.576 6.779 30 40 GKEB biogenic Oc1ccc(Cl)cc1/C=N/c1ccc2oc(-c3cccc4ccccc34)nc2c1 3102910 ZSJKXUUMCBSAOH-VULFUBBASA-N 398.849 6.758 30 40 GKEB O=C1C=C(c2ccccc2)C(=O)[C@]2(c3ccccc3)C=CC[C@@H](c3ccccc3)[C@@H]12 5203195 BMIREVXEZWIFLP-WSHBGFIESA-N 390.482 5.520 30 40 GKEB C/C(=N\NC(=S)Nc1ccccc1C(F)(F)F)c1ccc(C(C)(C)C)cc1 5656777 XCGSNCYLUHEPCD-DHRITJCHSA-N 393.478 5.714 30 40 GKEB C/N=c1\scc(-c2ccc(Cl)s2)n1/N=C/c1ccc(C(C)(C)C)cc1 6313527 QUAJWBQSGBARHV-ZBJYABMISA-N 389.977 5.642 30 40 GKEB CCOc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCc1ccccc1 6961516 NKHDRANCHGDIKE-MFKUBSTISA-N 379.887 6.377 30 40 GKEB CC(=O)N(c1nc(/C=C/C(=O)c2cccs2)cs1)c1cccc(C)c1C 13002557 LFFWFXOQOLKBBU-MDZDMXLPSA-N 382.510 5.402 30 40 GKEB N#Cc1c(/N=C/c2ccc(Cl)cc2)oc(-c2ccccc2)c1-c1ccccc1 17264818 VQOVOQANRHDVIF-JVWAILMASA-N 382.850 6.889 30 40 GKEB C/C(=N/Nc1cc(C(F)(F)F)ccc1Cl)c1cc(Cl)ccc1Cl 33491758 PSUJRZRJLLMSJN-UYOCIXKTSA-N 381.612 6.502 30 40 GKEB CCCC[C@@H]1S/C(=N\N=C\c2ccccc2)N(Cc2ccccc2C)C1=O 36093496 HIZMJNVAYKEKLE-PEHOWQFQSA-N 379.529 5.019 30 40 GKEB CCc1ccc(/N=C2/S/C(=C/c3ccc(OC(C)C)cc3)C(=O)N2C)cc1 100297722 JBSVFIXRPCUCBB-XATRHVNRSA-N 380.513 5.270 30 40 GKEB CCCCCCCCCCCCCCCCCCOC(=O)CCCCCC 100309362 ABTZKZVAJTXGNN-UHFFFAOYSA-N 382.673 8.762 30 40 GKEB N=C(O)[C@@H]1CC[C@H](/C(O)=N/[C@@H]2CCCCC[C@H]2c2ccccc2C(F)(F)F)O1 329521066 QOIKDOPVZJFEQT-PQEBFOHHSA-N 398.425 5.161 30 40 GKEB C#CCOc1ccc2ccccc2c1-c1c(-c2ccccc2)c(C)[nH]c(=N)c1C#N 408817418 XREDFCYIQDWYOJ-UHFFFAOYSA-N 389.458 5.173 30 40 GKEB CC[C@@H](C)n1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)c2ccccc21 408966434 OJPATFJXCCQMKZ-WMRWHDLOSA-N 389.524 5.812 30 40 GKEB O=[N+]([O-])c1ccc(/C=N\Nc2nc(-c3ccco3)c(-c3ccco3)s2)cc1 408975557 MZTVLJVHYLLPRI-ODLFYWEKSA-N 380.385 5.017 30 40 GKEB CCCCCCCCCCCCC/C=C\C(F)(F)C(F)(F)C(F)(F)F 575330587 ZEWSFTJMWAQHON-PFONDFGASA-N 378.416 8.077 30 40 GKEB C=C[C@@H]1CN2CC[C@@H]1C[C@@H]2[C@H](OC(=O)c1ccccc1)c1ccnc2ccccc12 3998737 XOEFQGQIXMPRIN-ONCYQHJISA-N 398.506 5.029 30 40 GKEB biogenic,in-vitro Cc1ccc(C(=O)COC(=O)c2ccccc2Sc2ccccc2C#N)cc1 4776160 ZUNGVGOYEKVQGX-UHFFFAOYSA-N 387.460 5.058 30 40 GKEB N#CC(=N/Nc1ccccc1OC(F)F)/N=N/c1cccc(C(F)(F)F)c1 5584016 DKQNTPKTJOWBCF-AXMYODAYSA-N 383.280 5.340 30 40 GKEB CCOc1ccc(/N=C/c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 6962527 UTGCMCWMRRRKAY-PCLIKHOPSA-N 375.468 5.732 30 40 GKEB COc1cc(/C=N/NCc2ccccc2Cl)ccc1OCc1ccccc1 8811351 HKHYQRUHVYCNPM-ZVHZXABRSA-N 380.875 5.051 30 40 GKEB COc1ccc(/C=C2\C[C@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]3(C)C2=O)cc1 10272248 QMUTWRBFFVDYDU-NZNXFPTASA-N 388.507 5.520 30 40 GKEB N#Cc1c(-c2ccc(OCc3ccccc3)cc2)cc(-c2ccccc2)nc1N 33459663 SRRXXMCYUADIQP-UHFFFAOYSA-N 377.447 5.448 30 40 GKEB CCCCCCCCCCNC[C@H](O)Cn1c2ccccc2c2ccccc21 97951637 KYYAPXZJZGMFBS-NRFANRHFSA-N 380.576 5.886 30 40 GKEB O=C(Nc1ccccc1)c1c(/N=C\c2ccc([N+](=O)[O-])o2)sc2c1CCCC2 100956963 ILOPWLJEJQKSQK-MTJSOVHGSA-N 395.440 5.131 30 40 GKEB C=CCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)cc1 408905416 ADRQTNPRYNMELC-OCIPIQTLSA-N 378.497 5.264 30 40 GKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1ccc(-c2cccc(F)c2)o1 409098727 JOCOSWCGTASMOI-AUEPDCJTSA-N 393.296 5.459 30 40 GKEB CC(C)(C)c1cc(Br)cc(/C=N/c2cccc3ccccc23)c1O 3106005 KBKDYWBLCDGKDT-YDZHTSKRSA-N 382.301 6.356 30 40 GKEB Cc1cc(SCc2ccc(C(C)(C)C)cc2)n2c(nc3ccccc32)c1C#N 5986695 AQORAYVEQNGTBG-UHFFFAOYSA-N 385.536 6.257 30 40 GKEB Cc1ccc(OCc2ccc(-c3nc(C#N)c(NC4CCCCC4)o3)o2)cc1 20891024 VKWGKSZKGTVCRS-UHFFFAOYSA-N 377.444 5.438 30 40 GKEB Cc1ccc2nc(N/N=C/c3c(F)cccc3Cl)nc(-c3ccccc3)c2c1 46085263 IATCOKFKABQIQU-DHRITJCHSA-N 390.849 5.844 30 40 GKEB CCCCCCCCCOCn1c(=N)n(Cc2ccccc2)c2ccccc21 100729029 JNRVBXNBANQAIT-UHFFFAOYSA-N 379.548 5.695 30 40 GKEB C=CCOc1cccc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)c1 225810987 NECDTNLEVUVCTC-UHFFFAOYSA-N 384.520 5.189 30 40 GKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3cc([N+](=O)[O-])ccc3O)c2C#N)C1 409081457 PFKVQMFJTBCNHM-YSRRJJCPSA-N 383.473 5.135 30 40 GKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3ccc(O)c([N+](=O)[O-])c3)c2C#N)C1 409209169 GDOORWQPKDETMD-BTXKWLAHSA-N 383.473 5.135 30 40 GKEB Cc1c(Cl)cccc1NC(=O)CSc1nc2c(C)cccc2cc1C#N 1223896 LVTTVPABHFOEOA-UHFFFAOYSA-N 381.888 5.108 30 40 GKEB CN(CCC(=O)/C(=C/c1ccccc1)c1ccc(Cl)cc1)Cc1ccccc1 1733649 LONJEUANXZHGKA-HKOYGPOVSA-N 389.926 5.972 30 40 GKEB C=CCn1c(SCc2ccccc2)nc2sc3c(c2c1=O)C[C@@H](C)CC3 2314924 KSTBRDRVYYXSNC-AWEZNQCLSA-N 382.554 5.061 30 40 GKEB C[C@H](C#N)Sc1nc2sc(-c3ccccc3)cc2c(=O)n1-c1ccccc1 2639271 YCRNAXGGQDFOHE-CQSZACIVSA-N 389.505 5.118 30 40 GKEB Cc1ccc(-c2nc3cc(/N=C/c4cccc([N+](=O)[O-])c4O)ccc3o2)cc1C 3113642 MTHTVCDBBCHQMZ-FSJBWODESA-N 387.395 5.476 30 40 GKEB Cc1ccc(-c2nc3sccn3c2/C=N/OCc2ccc(Cl)cc2)cc1 4003173 FCUZYSQXHKHJHE-WSDLNYQXSA-N 381.888 5.575 30 40 GKEB CCc1cccc(C)c1NC(=O)CSc1nc2c(C)c(C)ccc2cc1C#N 4849085 QPQVASFZVFRXKQ-UHFFFAOYSA-N 389.524 5.325 30 40 GKEB FC(F)(F)c1ccc(Cl)c(N/N=C/c2ccccc2Br)c1 4921712 MDMVDGAPZSFGPJ-DNTJNYDQSA-N 377.591 5.567 30 40 GKEB C/C(=C\C=C(Cl)Cl)CS/C(=N\C#N)S/C=C/C(=O)c1ccccc1 5183637 XILWHUORVMTBLN-ZDWAABLYSA-N 397.352 5.952 30 40 GKEB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccc2ccccc2c1 5214812 XHHHLJLSRPRBIR-DHZHZOJOSA-N 393.269 7.303 30 40 GKEB C=CCn1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccc(C)cc1 5477867 XTWUWWHHDVHWEH-UHFFFAOYSA-N 390.339 6.039 30 40 GKEB C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@@H](C)C3 5608046 QJXRTFUPLSQFDD-CQSZACIVSA-N 382.554 5.240 30 40 GKEB O=C1ON=C(c2ccc(Cl)cc2)/C1=C/c1ccc(OCc2ccccc2)cc1 13940521 HJCFLQZUUYFYEU-STZFKDTASA-N 389.838 5.264 30 40 GKEB CCc1ccc(/C(Cl)=C/C=N/N=C/C=C(\Cl)c2ccc(CC)cc2)cc1 16161329 XJIUFHJFXODPSI-QHLIWTNDSA-N 385.338 6.728 30 40 GKEB CCCN1C(=O)/C(=C\c2ccc(OC)c(OCC)c2)S/C1=N\c1ccccc1 17167430 PLWHKCGSRJDMBE-OCIPIQTLSA-N 396.512 5.108 30 40 GKEB C=CCN(C(=O)c1sc2nc(-c3ccco3)nc(C)c2c1C)c1ccccc1 48264921 FZOREGUNNBFONC-UHFFFAOYSA-N 389.480 5.401 30 40 GKEB COc1ccc2ccccc2c1/C=C1/S/C(=N/c2cc(C)cc(C)c2)NC1=O 59426761 HTXVPUFKBPTGNJ-FYJGNVAPSA-N 388.492 5.357 30 40 GKEB CC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)cc1 59678177 BEDFSUABPQPXNE-WYMPLXKRSA-N 394.858 5.399 30 40 GKEB CC(C)=NNc1nc2c(Cl)cc(NC(=O)c3ccccc3)c(Cl)c2s1 72229007 WHGMOUDXFBMFQA-UHFFFAOYSA-N 393.299 5.663 30 40 GKEB Cc1nn(C)cc1/C=C1\C[C@@H]2[C@H]3CC[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@]2(C)C1=O 98087351 KVDDTNQRMJYZPQ-GDHDTADASA-N 380.576 5.724 30 40 GKEB O=C(/C=C\Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 100661954 XGJAYFNXYMEDQU-WAYWQWQTSA-N 377.259 5.672 30 40 GKEB O=[N+]([O-])c1cccc(/N=N/C=N/Nc2nc3ccccc3n2Cc2ccccc2)c1 101187850 BAXRTICFZAJOEK-QXDZMASPSA-N 399.414 5.132 30 40 GKEB CC(=O)c1cccc(N2Cc3ccccc3/C2=N\C(=O)c2ccc(C(C)C)cc2)c1 102925758 LUYLCQPFMVJRNA-IMVLJIQESA-N 396.490 5.620 30 40 GKEB C=CCOc1ccc(NC(=S)NCCSCc2ccc(Cl)cc2)cc1 225303890 RTYVEYFAOBOPNE-UHFFFAOYSA-N 392.977 5.125 30 40 GKEB Cc1ccc(C(C)C)cc1Oc1c(N)cc(C#N)n1Cc1cccc2ccccc12 225887052 UNOLPTZFFHHJEQ-UHFFFAOYSA-N 395.506 6.368 30 40 GKEB Cc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1 408691694 MEKMKWTZCFCHLJ-PKNBQFBNSA-N 397.301 6.777 30 40 GKEB C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccccc2O)S/C1=N\c1ccccc1 408866560 HECLBORAOHEZMI-YPITWCRTSA-N 392.524 5.575 30 40 GKEB COc1cc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)ccc1C 408979774 SFFSTTJVDVEOHJ-MFKUBSTISA-N 390.552 6.925 30 40 GKEB C=CCSc1nc2sc(CCC)c(C)c2c(=O)n1-c1ccc(CC)cc1 409113014 NCIILVVWYZVNEC-UHFFFAOYSA-N 384.570 5.549 30 40 GKEB CC(=O)Nc1ccc(/N=C/c2ccc(-c3ccc(C)cc3Br)o2)cc1 409243964 ZTEDCIZAXKAEQM-WSDLNYQXSA-N 397.272 5.727 30 40 GKEB CCN(CC)c1ccc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 575242831 OIOXWBFHLDCSHV-UHFFFAOYSA-N 395.265 5.184 30 40 GKEB Cc1cc([N+](=O)[O-])c(C)cc1-c1ccc(/C=N/c2sc3c(c2C#N)CCC3)o1 3202294 OISJMAJNDDNBJN-FOKLQQMPSA-N 391.452 5.644 30 40 GKEB CC(=O)O/N=C(\C)CC/C=C(\C)CC[C@H]1C(C)=CC[C@@H]2C(C)(C)CCC[C@@]12C 4026947 NQRNQFVQINDGPA-JCNHITLNSA-N 387.608 7.231 30 40 GKEB biogenic CCCC(=O)C1=C(Nc2ccc(/N=N/c3ccccc3)cc2)CC(C)(C)CC1=O 4794713 ATNLOUZVNQODIE-CYYJNZCTSA-N 389.499 6.526 30 40 GKEB C=C1CC[C@H](O)C(C)(C)[C@H]1CC/C(C)=C\COc1ccc2ccc(=O)oc2c1 5380740 XXKXCRGLMFAXTK-BRSCAQSMSA-N 382.500 5.252 30 40 GKEB endogenous,in-man CCc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 8084789 NZDCEUJZGVQCIB-MFKUBSTISA-N 379.887 6.241 30 40 GKEB CSC1=N/C(=N\c2cccc(Cl)c2)C2(CCCC2)N1c1ccccc1C 17241849 MLAAKRBKGDVABJ-NMWGTECJSA-N 383.948 6.230 30 40 GKEB C=CCOc1ccc(/C=C2/SC(=S)N(c3cc(C)ccc3C)C2=O)cc1 35040857 TZLQSNZOQYHICK-CPNJWEJPSA-N 381.522 5.274 30 40 GKEB C=CCn1c(S[C@H](C)c2cccnc2)nc2sc3c(c2c1=O)CC[C@H](C)C3 58109613 OTQIHQWLVJOKKM-UONOGXRCSA-N 397.569 5.017 30 40 GKEB Cc1ccc(/C=N/Nc2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)cc1 59484357 MPUBUMHCSSFHPA-PCLIKHOPSA-N 383.520 6.540 30 40 GKEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4C[C@]5(C)C[C@@H]4CC(C)(C)C5)[C@H]3C[C@@H]12 100743101 VXTVLBRGOQKEPU-SOCRNZBXSA-N 385.592 5.201 30 40 GKEB C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2cccs2)S/C1=N\c1ccccc1 408906975 FMDFTTVBIPEDLU-WYWWFWOASA-N 390.533 6.113 30 40 GKEB CCCCN1C(=O)/C(=C\c2ccc(OCC)cc2)S/C1=N\c1ccc(C)cc1 408915579 QCZQZBDPYWQFIJ-RERTVAKNSA-N 394.540 5.798 30 40 GKEB CC[C@@H](C)Oc1cccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)c1 1531384169 VXTCWWKWOVHVKL-WNIQNGNASA-N 397.478 5.123 30 40 GKEB COc1cc(C(C)(C)C)c2oc3c(c2c1)C(=O)C(C(C)(C)C)=CC3(OC)OC 1570322 HQBULOZUEKWWKH-UHFFFAOYSA-N 386.488 5.353 30 40 GKEB Cc1ccc(-c2nc3cc(/N=C/c4ccc(Cl)cc4Cl)ccc3o2)cc1C 3113656 OPKZEVRHURSTGQ-BRJLIKDPSA-N 395.289 7.169 30 40 GKEB N#Cc1ccccc1Sc1ccccc1C(=O)OCc1c(F)cccc1Cl 3318779 SQFYCCHPRAEYMX-UHFFFAOYSA-N 397.858 5.859 30 40 GKEB N#Cc1ccc(-c2csc(NC(=O)C(c3ccccc3)c3ccccc3)n2)cc1 3334466 MJRQGYAVCXCGBX-UHFFFAOYSA-N 395.487 5.452 30 40 GKEB O=C1N/C(=N/c2ccccc2F)S/C1=C/c1ccc(-c2ccccc2Cl)o1 5376574 CBMVHBWGGFDFFB-WOJGMQOQSA-N 398.846 5.631 30 40 GKEB Cc1ccc(Oc2ccc(/C=N/OCc3ccc(Cl)cc3Cl)cn2)cc1 5415569 ORYJJKCPPWZKKY-WYMPLXKRSA-N 387.266 6.040 30 40 GKEB Fc1ccccc1Cn1cc(/C=N/Nc2nc3ccccc3[nH]2)c2ccccc21 5456849 HGVYPOOHLXWFST-DHRITJCHSA-N 383.430 5.151 30 40 GKEB COc1ccc(C(=O)/C=C/c2ccccc2OCc2cccc(Cl)c2)cc1 7939527 LAPSKGLTWWWZMB-SDNWHVSQSA-N 378.855 5.824 30 40 GKEB O=C(/C=C/c1ccc(OCc2cscn2)cc1)c1cccc(C(F)(F)F)c1 12818259 BYCWUFAMOORLII-RMKNXTFCSA-N 389.398 5.637 30 40 GKEB CCCCCCC(/C=C\c1ccc(Cl)c(Cl)c1)=N/Nc1ccccc1 17106699 RNOVUSNBUXKVQU-FAPFAGOTSA-N 375.343 7.445 30 40 GKEB O=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1ccccc1Br 17124075 XDBCFWNOWWAVMP-NTCAYCPXSA-N 393.280 5.924 30 40 GKEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccncc2)cc1 18106980 JPSRTIPVKBXNMI-IQGLISFBSA-N 397.478 5.070 30 40 GKEB biogenic,in-vitro C=CCn1/c(=N/C(=O)c2cccc(OCCCCC)c2)sc2cc(C)ccc21 100874079 HDMKNGFUUIKXMG-VHXPQNKSSA-N 394.540 5.507 30 40 GKEB C=CCN1C(=O)/C(=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3CC)SC1=S 223539162 ZLTQXZBCZYQZGB-HIXWQLQUSA-N 386.586 5.186 30 40 GKEB C/C(=N\Nc1nc(-c2ccc(C)cc2)cs1)c1cccc(C2CCCCC2)c1 408969842 VJRUFSNGWGHAPB-NLRVBDNBSA-N 389.568 7.002 30 40 GKEB Cc1ccnc(Sc2ccc(/C=N/c3sc4c(c3C#N)CCCC4)o2)n1 409276384 QJODTFRWRVJXHF-SSDVNMTOSA-N 380.498 5.092 30 40 GKEB Cc1ccc2nc(-c3ccc(/N=C/C=C/c4cccc([N+](=O)[O-])c4)cc3)oc2c1 2756733 VCRRYSZABFXYJU-HRLJDNPUSA-N 383.407 6.127 30 40 GKEB FC(F)Oc1ccc(/C=N/c2ccc(-c3nnc4n3CCCCC4)cc2)cc1 3233618 WBMAXWFWJGCWNO-ZVHZXABRSA-N 382.414 5.024 30 40 GKEB CCCc1cc(Nc2ccc(NC(C)=O)cc2)n2c(nc3ccccc32)c1C#N 9009311 OUUJIHUNYIHXCX-UHFFFAOYSA-N 383.455 5.014 30 40 GKEB CC1(C)CS/C(=N\c2ccc(F)c(Cl)c2)N1C(=O)c1ccc(C#N)cc1 13524664 SITIKUPEZZTJGR-NKFKGCMQSA-N 387.867 5.006 30 40 GKEB Cc1nc(-c2ccc(Br)cc2)nc(Oc2ccc(C#N)cc2)c1C 58158990 ZVRUPRWZGKOVOQ-UHFFFAOYSA-N 380.245 5.187 30 40 GKEB CCCCCCCCCCCCCCCc1ccc(OC[C@H](O)CO)cc1 73333667 DVARIDCYJRKBHF-HSZRJFAPSA-N 378.597 6.052 30 40 GKEB Cc1cc(C)c2oc(-c3cccc(/N=C/c4cccc(Cl)c4Cl)c3)nc2c1 100524121 YAKUZLSFGQEYMP-BRJLIKDPSA-N 395.289 7.169 30 40 GKEB CCCCCCCCCCCCONC(=O)Nc1ccc(Br)cc1 100844551 LDZCABHHIICNPB-UHFFFAOYSA-N 399.373 6.423 30 40 GKEB CCCCCCCNCc1ccc(OCc2ccc(F)cc2Cl)c(OC)c1 102565156 BRDYOEJEGSBLKA-UHFFFAOYSA-N 393.930 6.127 30 40 GKEB C=CCOc1ccc(/C=C2\SC(=Nc3ccc(C)c(Cl)c3)NC2=O)cc1 408738723 NEVSVIUACYTIEP-WQRHYEAKSA-N 384.888 5.105 30 40 GKEB C=CCc1cc(C=O)cc(Br)c1OCc1ccc2ccccc2c1 408857873 NEIYIMKNOJESSA-UHFFFAOYSA-N 381.269 5.722 30 40 GKEB N#Cc1ccccc1-c1ccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)o1 409338257 GRJIWVCTBMGDTA-UNOMPAQXSA-N 394.521 5.352 30 40 GKEB Cc1ccccc1/N=C1\S[C@H](C)CN1C(=O)Nc1cccc(C(F)(F)F)c1 851684 UMLIEDAAUGOEKV-USGSIFQVSA-N 393.434 5.671 30 40 GKEB Cc1cc(C)c2oc(-c3cc(/N=C/c4ccc([N+](=O)[O-])cc4)ccc3O)nc2c1 864706 FZVMEHZXVUBQBH-FSJBWODESA-N 387.395 5.476 30 40 GKEB N#Cc1ccc(-c2ccc(OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2)cc1 3265348 APPYBDHITXRKLX-UHFFFAOYSA-N 378.771 5.006 30 40 GKEB Oc1ccc(Br)cc1/C=N/c1c(-c2ccccc2)nc2ccccn12 4815763 WAJBZXDVKNONEZ-LPYMAVHISA-N 392.256 5.220 30 40 GKEB C=CCOc1c(Br)cc(/C=N/c2ccc(CC)cc2)cc1OCC 8084248 DXXPCTXZJVAAQF-HYARGMPZSA-N 388.305 5.726 30 40 GKEB Cc1c(Cl)cccc1/N=C/c1ccccc1OCc1cccc2ccccc12 8278098 WZGXQAXOJUEVBA-JVWAILMASA-N 385.894 7.131 30 40 GKEB COc1ccc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]3(C)C2=O)cc1 12719753 QMUTWRBFFVDYDU-XWBXADGBSA-N 388.507 5.520 30 40 GKEB COc1ccc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)cc1 100353124 UDZAQHIEXNBBFA-BLOQEJBCSA-N 392.524 5.632 30 40 GKEB F/C(=C\CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F 103531237 JGDCZHIABNZBBC-IWQZZHSRSA-N 396.093 5.896 30 40 GKEB CCn1nccc1/C=C1/C[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)C1=O 118916114 LWLNXMRZXSNPHH-DHGDJTRASA-N 380.576 5.898 30 40 GKEB CCOc1ccc(/C=N\c2cc(C)ccc2C)cc1I 408904490 KHFWRAWXKCOARG-ODLFYWEKSA-N 379.241 5.057 30 40 GKEB COc1ccc(Oc2ccc(/N=C/c3ccc(N4CCCC4)c(F)c3)cc2)cc1 409067930 DVKOBBZSNLMYRM-YZSQISJMSA-N 390.458 5.977 30 40 GKEB CCCCCCCC[C@H](CCCCCC)CN1C(=O)C(=O)c2sccc21 1776010966 LOZFYIWLUVNMBO-SFHVURJKSA-N 377.594 6.615 30 40 GKEB CC(C)c1ccc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)cc1 870002 ZEJIQAJFGGTIPK-SANMLTNESA-N 396.534 6.668 30 40 GKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@H]2c1ccccc1Cl 4044536 QLPRWVNIPWZEEB-HSZRJFAPSA-N 387.910 6.694 30 40 GKEB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/Nc1cccc(C(F)(F)F)c1 6051517 MJLIZSYTMGLNHC-FOKLQQMPSA-N 378.785 5.299 30 40 GKEB Cc1ccc([C@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3nc4ccccc4n32)cc1 7495945 BKZHMKTYFVEVJV-OSPHWJPCSA-N 395.462 5.353 30 40 GKEB CCCC(C)(C)[C@@H]1C/C(=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H](C)C1 36354888 DIYFSYBOKDUFNM-IXLKOTGVSA-N 376.457 5.533 30 40 GKEB Cc1cc(C(F)(F)F)c(C#N)c(SCc2cccc(C(F)(F)F)c2)n1 54363664 OSBGJXRVOHKOPW-UHFFFAOYSA-N 376.325 5.592 30 40 GKEB CCCCCCCCCCOc1ccc(/C=N/c2ccc(C(=O)O)cc2)cc1 59186420 PNZHDYZZCVZDEY-NCELDCMTSA-N 381.516 6.655 30 40 GKEB C=C(C)[C@H](O)c1ccc2ccccc2c1-c1c([C@H](O)C(=C)C)ccc2ccccc12 95611703 QGBNOLZBSXSVGL-HNRBIFIRSA-N 394.514 6.879 30 40 GKEB CCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)c(C#N)c1 225751269 ZLJKWKAFFFDPDG-UHFFFAOYSA-N 382.891 5.451 30 40 GKEB Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1cccc(Cl)c1Cl 408912979 JDQRVXUTQAKFRN-UHFFFAOYSA-N 396.273 5.864 30 40 GKEB CCN1C(=O)/C(=C/c2ccc(-c3ccc(C#N)cc3)o2)SC1=Nc1ccccc1 409021757 XLAFERAOZKLBLC-RFWMZAAKSA-N 399.475 5.442 30 40 GKEB C=CCOc1ccc(/C(C)=N/Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 409053853 RBIIVNSWVXEGIT-OEAKJJBVSA-N 383.904 5.864 30 40 GKEB Cc1ccc2c(c1)C(=Nc1sc3c(c1C#N)CC[C@@H](C(C)(C)C)C3)C(=O)N2 409113625 IAVHLPUVCJNYDC-CYBMUJFWSA-N 377.513 5.152 30 40 GKEB CCOC(=O)c1c(/N=C/c2c(O)ccc3ccccc23)sc2c1CC[C@@H](C)C2 677178 NGHQBVPSTMZGGA-FIKYGGOLSA-N 393.508 5.659 30 40 GKEB Brc1ccc(-c2ccc(/C=N/c3cccc4ccccc34)o2)cc1 824726 XPQZNAKLKSOIFJ-OEAKJJBVSA-N 376.253 6.613 30 40 GKEB CO/N=C/c1ccc(Oc2cc(Cl)c(Cl)cc2Cl)c([N+](=O)[O-])c1 4088059 OOLBELPPNREUEW-CNHKJKLMSA-N 375.595 5.328 30 40 GKEB CC(C)c1ccc(N/N=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1 4175455 MBLFYSILLKXZRF-KOEQRZSOSA-N 390.468 5.002 30 40 GKEB COc1ccccc1/C=C/C(=O)c1c(C)nc2ccc(C)cc2c1-c1ccccc1 4903636 ZDFHHRGEQJKFII-JQIJEIRASA-N 393.486 6.423 30 40 GKEB CS(C)=C(C(=O)c1ccccc1)/C(=C/C(=O)c1ccccc1)c1ccccc1 6424989 WWNNZBUYFRIAFF-RELWKKBWSA-N 386.516 5.537 30 40 GKEB COc1cc(C(=O)/C=C/c2ccc(COc3cccc(Cl)c3)o2)ccc1O 6641587 JLVFIDDBEBUGTH-CSKARUKUSA-N 384.815 5.122 30 40 GKEB O=[N+]([O-])c1ccc(/C=C2/S/C(=N/c3ccccc3C(F)(F)F)N=C2O)cc1 6926878 YMZBNAGOLPTMBW-NTEUORMPSA-N 393.346 5.346 30 40 GKEB Cc1nn2c(c1-c1ccccc1)NC1=C(C(=O)CCC1)[C@H]2c1ccc(Cl)cc1 8559371 HMFHATXBTNGIKY-JOCHJYFZSA-N 389.886 5.534 30 40 GKEB Cc1ccccc1/N=C/c1cc(Br)ccc1OCc1cccc(F)c1 8570851 SRQRLRIDTFJERO-ZMOGYAJESA-N 398.275 6.226 30 40 GKEB C=CCSc1nc(-c2ccc(OCCC)cc2)cc(C(F)(F)F)c1C#N 16728821 KBJGVLJUMWXFBE-UHFFFAOYSA-N 378.419 5.706 30 40 GKEB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)/C(=C/c1ccccc1)C(=O)c1ccccc1 36056604 LHTRLJFFJJYZCU-OJOFVKTASA-N 390.523 5.957 30 40 GKEB O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1cccc(Oc2ccccc2)c1 59105825 UJTDWTJYUGJCMJ-XSFVSMFZSA-N 390.439 5.510 30 40 GKEB O=C(c1ccc(Cl)c(F)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 101471169 AWMFVQHCAYVXCE-UHFFFAOYSA-N 376.577 5.130 30 40 GKEB CCCOc1cccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1 408629174 NVJMRTHTZHFUMI-MRXNPFEDSA-N 396.556 5.812 30 40 GKEB CCc1ccc(-n2c(C)cc(/C=N/c3ccc(Nc4ccccc4)cc3)c2C)cc1 408766074 OKNKUIONMRXHCV-TURZUDJPSA-N 393.534 7.151 30 40 GKEB CC/N=C1\S/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)N1CC 408846267 IDCRQDNAUSZDJI-XYGVBGMQSA-N 395.311 5.566 30 40 GKEB Clc1ccc(-n2cccc2/C=N/c2ccc(-c3cc4ccccc4o3)cc2)cc1 408949073 RXGIWNCNOKZDPG-WPWMEQJKSA-N 396.877 7.295 30 40 GKEB COc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@@H]32)cc1 408950264 MFAUKXANLQPCOH-SOMKHJCMSA-N 394.518 6.581 30 40 GKEB CCOc1cc(C)c(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1C(C)C 408961496 MQENWTWKGHKHFC-FYJGNVAPSA-N 394.540 5.717 30 40 GKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N\c3ccc4ccccc4c3)c2C)c1 408967867 SLUCEMVXSYMCJE-PKAZHMFMSA-N 396.490 6.175 30 40 GKEB O=[N+]([O-])c1cc(/C=N\Nc2ccc(Br)cc2)c(Cl)cc1Cl 409214596 YKULUKNOFAXJNJ-IDUWFGFVSA-N 389.036 5.110 30 40 GKEB Cc1ccc(-c2ccc(/C=N/c3ccc([N+](=O)[O-])cc3C)o2)c(Br)c1 409234776 MJNJZYOWOHPDBL-SRZZPIQSSA-N 399.244 5.985 30 40 GKEB N#Cc1c(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)sc2c1CCCC2 1231419 BRZPFQYKVABLJF-WSDLNYQXSA-N 377.425 5.417 30 40 GKEB C=CCSc1nc2ccc(/N=C/c3ccc(Br)o3)cc2s1 3016790 RXRMSHXUSRBXGH-RQZCQDPDSA-N 379.304 5.681 30 40 GKEB C/C(=N\Nc1ccc(C(=O)O)cc1)c1ccc2c(c1)Nc1ccccc1S2 4871818 MHGPTWIKWPWDAJ-YDZHTSKRSA-N 375.453 5.429 30 40 GKEB S=c1sc2c(s1)S/C(=N/c1ccc(Br)cc1)CS2 5569333 HTLTXDBRHZAMDQ-MDWZMJQESA-N 392.415 6.230 30 40 GKEB Cc1ccc(CSc2nc(-c3ccc(C)cc3)cc(C(F)(F)F)c2C#N)cc1 5986842 QNDDVSVQWHNRKE-UHFFFAOYSA-N 398.453 6.548 30 40 GKEB O=C1CCCC2=C1[C@@H](c1ccc3cccnc3c1)c1c(ccc3ncccc13)N2 12375243 PYTJVPFCXCERPP-QHCPKHFHSA-N 377.447 5.348 30 40 GKEB CCOc1c(Cl)cc(/C=C/C(=O)c2ccc(OC(F)F)cc2)cc1OC 13039197 RNYKIIFFCFVKCJ-RUDMXATFSA-N 382.790 5.245 30 40 GKEB O=C1/C(=N\c2ccc3ccccc3c2)c2ccccc2N1CN1CCCCCC1 16545730 VNIYKAPZBCZFHA-LCUIJRPUSA-N 383.495 5.141 30 40 GKEB CCCCCCCCCC(=O)OC(CC[C@H]1CCCO1)CC[C@H]1CCCO1 100300358 ZKPYPYMRRDEUDP-NHCUHLMSSA-N 382.585 5.957 30 40 GKEB CCCCCCCCCCCCCCCCN1C(=O)[C@@H]2CCCC[C@H]2C1=O 100309822 GRJFMCXINURLLD-FGZHOGPDSA-N 377.613 6.643 30 40 GKEB CCCCCCCOc1ccc(/C=N/Nc2nc(-c3ccccc3)cs2)cc1 105450181 UGWLDPWRJJUPEA-JJIBRWJFSA-N 393.556 6.605 30 40 GKEB C=CCN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 224716676 YMEXUACRVXNJCP-UHFFFAOYSA-N 376.692 5.028 30 40 GKEB Cc1oc(/N=C/c2c(C)n(Cc3ccc(F)cc3)c3ccccc23)c(C#N)c1C 408586413 BTPGJPFIHRXZTI-UVHMKAGCSA-N 385.442 5.969 30 40 GKEB CCCCCC(=O)NC(=S)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 408628950 YOYOACPFNDBKHM-CYBMUJFWSA-N 391.606 5.164 30 40 GKEB COc1ccccc1NC(=O)COc1ccc(/C=N\c2cccc(Cl)c2)cc1 408801239 SQQLCYHFKXYTKP-OYKKKHCWSA-N 394.858 5.117 30 40 GKEB Cc1ccc(Cl)cc1/N=C/c1cc(Cl)ccc1OCc1ccccc1F 409212604 RHPMSJHQGZNTIN-BRJLIKDPSA-N 388.269 6.771 30 40 GKEB CCOc1cc(Br)cc(/C=N/c2ccc3c4c(cccc24)CC3)c1O 870621 MBFBPPDWKVKCFZ-FSJBWODESA-N 396.284 5.556 30 40 GKEB N#Cc1c(SCc2ccccc2Cl)nc(-c2cccs2)c2c1CCCC2 4818900 IJCNUUHBAFLMRI-UHFFFAOYSA-N 396.968 6.506 30 40 GKEB Cc1cccc(N2C(=O)C(O)=C(C(=O)/C=C/c3ccccc3)[C@@H]2c2ccccc2)c1 8969651 YTAXSKSCEGEPNF-QDEBQFNMSA-N 395.458 5.178 30 40 GKEB C=CCn1c(SCc2c(F)cccc2Cl)nc2c([nH]c3ccccc32)c1=O 16890314 NZZWDEJNGXJMPR-UHFFFAOYSA-N 399.878 5.149 30 40 GKEB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C\c1ccc(Cl)cc1Cl 17024207 KJGLJIKARHIRBG-CFRMEGHHSA-N 394.261 5.253 30 40 GKEB Cc1nc(N/N=C2/CCCc3ccccc32)c2cc(-c3ccccc3)sc2n1 33045714 CEUWFGNAIRRMDI-QOMWVZHYSA-N 384.508 5.819 30 40 GKEB CC/C(=C\C(=O)c1ccc(Br)cc1)Nc1cc(C)ccc1Cl 59489034 MHPDBUCWGGMNDJ-RVDMUPIBSA-N 378.697 6.000 30 40 GKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3ccccc3C)cc1)N2 59516416 FTINJCLLUCBYNR-QEZKPBDHSA-N 378.519 6.881 30 40 GKEB C=CCN1C(=O)S/C(=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)C1=O 223564970 AJADIHRBHGYOLM-CCRNYGKSSA-N 384.545 5.410 30 40 GKEB CCOC=Nc1c(C#N)c(-c2ccc(Cl)cc2)cn1-c1ccc(Cl)cc1 245239487 JMRMBPJHROLJHN-UHFFFAOYSA-N 384.266 6.019 30 40 GKEB Cc1ccc(/N=C\c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1Cl 408808966 GOIBSCICCAKIAR-OYKKKHCWSA-N 378.859 5.417 30 40 GKEB Cc1cccc(COc2ccc(/C=N/Nc3ccc(C(F)(F)F)cn3)cc2)c1 409104859 IXEANOXHKVVGQC-RPPGKUMJSA-N 385.389 5.434 30 40 GKEB O=C(c1ccc(F)c2ccccc12)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575243204 XRVVQGJLFYTGOB-UHFFFAOYSA-N 392.192 5.630 30 40 GKEB C=C1CC[C@@H](O)C/C1=C\C=C1/CCC[C@]2(C)[C@@H]1CC[C@H]2[C@@H](C)CCCC(C)C 1529018672 QYSXJUFSXHHAJI-WSFBSAASSA-N 384.648 7.619 30 40 GKEB O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1ccccc1F)Nc1ccccc1N2 720483 VWTJBNWEENSQDU-LFVRLGFBSA-N 390.483 5.867 30 40 GKEB O=C1/C(=C\c2ccc(Cl)cc2Cl)[C@@H](c2ccccc2)Oc2ccccc21 3138136 LXKBGZGYHRXSIO-YGYUYSJASA-N 381.258 6.393 30 40 GKEB N#Cc1c(-c2ccc(Cl)cc2)cc(-c2cccc(C(F)(F)F)c2)nc1Cl 4041965 QCGYOHCJCWHHFL-UHFFFAOYSA-N 393.195 6.613 30 40 GKEB CCCOc1ccc([C@H]2C3=C(CCCC3=O)Nc3ccc4ncccc4c32)cc1 4184826 MESQCURKPISADT-HSZRJFAPSA-N 384.479 5.588 30 40 GKEB N#CCCn1cc(C(=O)Nc2ccc(Cl)cc2)c(-c2cc3ccccc3o2)n1 4510920 NKSTYCIGFGFLBP-UHFFFAOYSA-N 390.830 5.116 30 40 GKEB COc1ccccc1/C=C\C=N/n1c(S)nnc1-c1ccc(C(C)(C)C)cc1 4680272 IVTVKOFCRNPTJS-DDRNXUABSA-N 392.528 5.087 30 40 GKEB O=C1N/C(=N/c2ccc(Cl)cc2Cl)S/C1=C/c1cccc2ccccc12 5551551 AZQXFDAMVSTQQS-VCHYOVAHSA-N 399.302 6.038 30 40 GKEB COc1cc(/C=C2\S/C(=N/c3ccccc3C(F)(F)F)N=C2O)ccc1O 6858333 CUMVYKIBMZFSHS-DHDCSXOGSA-N 394.374 5.152 30 40 GKEB CCOc1cc(/C=N/c2ccccc2C)ccc1OCc1cccc(Cl)c1 6961427 KWDTVZPGUOYELA-MFKUBSTISA-N 379.887 6.377 30 40 GKEB C=CCN(C(=O)Cc1c(F)cccc1Cl)c1nc(-c2ccccc2)cs1 8186339 PKMLZCHJSAWHQP-UHFFFAOYSA-N 386.879 5.364 30 40 GKEB Cc1ccc(-c2csc(/C(C#N)=N\Nc3cc(Cl)ccc3Cl)n2)cc1 13408213 KJCCTYNVVLBGES-JLPGSUDCSA-N 387.295 5.765 30 40 GKEB O=C1ON=C(c2ccc(Cl)cc2)/C1=C/c1ccccc1OCc1ccccc1 59483063 IDMWIBCQQINKRQ-ZHZULCJRSA-N 389.838 5.264 30 40 GKEB N#CCCSc1ccccc1NC(=O)CC(c1ccccc1)c1ccccc1 95953424 VMLSQNDMJJNPGK-UHFFFAOYSA-N 386.520 5.853 30 40 GKEB CC(C)=CCC[C@@]1(C)C/C(=N\NS(=O)(=O)c2ccc(C)cc2)CC(C)(C)C1 98175184 GMSTVADIOXUWFP-PJJVEECESA-N 390.593 5.592 30 40 GKEB Cc1ccc(/C=C/C(=O)C(C(=O)c2ccccc2)=C2SCCCS2)cc1 101510536 UMCOMALFJBSART-OUKQBFOZSA-N 380.534 5.542 30 40 GKEB O/N=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 103850956 VJRFYEBSNYOOMA-CNHKJKLMSA-N 375.049 5.143 30 40 GKEB Cc1cc(N2CCCC2)ccc1/C=N/c1ccc(Br)c(Cl)c1 408959543 ATBSVBRIYKRNNI-CIAFOILYSA-N 377.713 5.762 30 40 GKEB COc1cc(/C=N\c2ccc(Cl)cc2)ccc1OCc1ccc(C(=O)O)cc1 408965551 IRGFGRKPYYHOCK-CFRMEGHHSA-N 395.842 5.376 30 40 GKEB CCc1ccccc1-n1c(C)cc(/C=N/c2ccc(Nc3ccccc3)cc2)c1C 408966756 NHPMMAIMCAEXLC-TURZUDJPSA-N 393.534 7.151 30 40 GKEB Cc1cc(/C=N/Nc2nc3ccccc3s2)c(C)n1-c1cccc([N+](=O)[O-])c1 409070753 NDVKJQFBOZWFNP-CIAFOILYSA-N 391.456 5.058 30 40 GKEB C[C@H]1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)/C(=N/Cc2ccccc2)S1 721900 RCWHBHZPGXZJLP-LCDJAWGCSA-N 394.327 5.519 30 40 GKEB COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccco2)C3)cc1 1458972 JFOBHJSTTYLBTD-FYSMJZIKSA-N 386.451 5.268 30 40 GKEB COc1ccc(-c2ccc(/C=N/c3sc4c(c3C#N)CCCC4)o2)cc1Cl 3011781 CJOGREJAIRCXND-WYMPLXKRSA-N 396.899 6.171 30 40 GKEB N#CC1(c2ccccc2)CCC(=NN=C2CCC(C#N)(c3ccccc3)CC2)CC1 4812293 UJTYUBRYARKQKD-UHFFFAOYSA-N 394.522 5.855 30 40 GKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)c2C#N)C1 5428528 XKBWWNIDMNDCKU-BHIYHBOVSA-N 392.568 5.903 30 40 GKEB CC(C)[C@H](c1ccc(Cl)cc1)[C@H](C#N)c1cccc(Oc2ccccc2)c1 5761395 XTIPCTXNTSRYDV-DNQXCXABSA-N 375.899 7.179 30 40 GKEB O=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1cc(Cl)ccc1Cl 6340915 KEYSIBGPHZXKOJ-MDWZMJQESA-N 383.274 6.469 30 40 GKEB N#Cc1c(NC(=O)CN(C2CCCCC2)C2CCCCC2)sc2c1CCCC2 6904469 HVMOKGQCCZLCIF-UHFFFAOYSA-N 399.604 5.404 30 40 GKEB Cc1c(Cl)cccc1NC(=O)CSc1nc(-c2ccccc2)ccc1C#N 8783536 DXJCDIAONNWHNT-UHFFFAOYSA-N 393.899 5.313 30 40 GKEB CCCCc1ccc(N/C=N/OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 33376857 RLFQMKQWZWIUTF-UHFFFAOYSA-N 389.839 5.111 30 40 GKEB CC/C(C)=N\Nc1nc2cc(C)c(NC(=O)c3ccccc3OC)c(C)c2s1 72228917 OBFAJVZRMQNDEJ-CFRMEGHHSA-N 396.516 5.372 30 40 GKEB Cc1ccc(N2C(=O)C3(CCCCC3)[C@@H](N3CCCCC3)/C2=N\C(C)(C)C)cc1 101377382 CCRZOPTYRXKLFW-XIPYDIPCSA-N 395.591 5.344 30 40 GKEB Cc1ccccc1/N=C(\c1ccccc1)N(c1ccc(O)cc1)c1ccc(O)cc1 101545798 JUJPMJVFSCAFIQ-CYYJNZCTSA-N 394.474 6.323 30 40 GKEB FC(F)=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 103530646 PAAIHHFXTDHQHM-UHFFFAOYSA-N 382.066 5.506 30 40 GKEB C=CCOC(=O)c1ccc(OCc2ccc(Br)cc2)c(Cl)c1 226328876 KNUOHTMQSKCQBE-UHFFFAOYSA-N 381.653 5.024 30 40 GKEB O=[N+]([O-])c1cccc(CO/N=C/c2cn(Cc3ccccc3)c3ccccc23)c1 408593286 PFKDYEFGMRRJHB-ZVHZXABRSA-N 385.423 5.149 30 40 GKEB COc1cc(/C=N\c2cc(C)ccc2C)ccc1OCc1ccc(C(=O)O)cc1 408968136 WQBDYQUMUZGFMG-QFEZKATASA-N 389.451 5.340 30 40 GKEB CC1=NOC(=O)/C1=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 409089590 NCYPADBAIDRMOR-NSIKDUERSA-N 380.202 5.028 30 40 GKEB O=C(O)c1cccc(-n2cccc2/C=N/c2ccc(Oc3ccccc3)cc2)c1 409096309 KLZSWZRATWILAD-KOEQRZSOSA-N 382.419 5.718 30 40 GKEB CCOc1cc(/C=N/c2ccc(NC(C)=O)cc2)ccc1OCc1ccccc1 681062 QXDGEKMYSKDUDF-PCLIKHOPSA-N 388.467 5.373 30 40 GKEB Cc1ccccc1N1C(=O)CC[C@]1(C#N)c1ccccc1OCc1ccccc1 987626 KCFYGBILWSQYGS-VWLOTQADSA-N 382.463 5.120 30 40 GKEB C=C(C)CSc1ncnc2c1sc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 2294150 IKCIPKPXNBAAHN-UHFFFAOYSA-N 399.585 5.882 30 40 GKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@H]2c1ccc(Cl)cc1 4036860 YEHJKNCWTNEIRG-OAQYLSRUSA-N 388.898 6.089 30 40 GKEB CCOC(=O)/C(=N\Nc1ccccc1Cl)Sc1nc2ccccc2s1 4619389 LXHJNPWQNUHRPW-RCCKNPSSSA-N 391.905 5.031 30 40 GKEB COc1cc(/C=N/Nc2ccccc2)ccc1OCc1cccc2ccccc12 59426451 CYIKQMVQYBSKAT-YZSQISJMSA-N 382.463 5.873 30 40 GKEB O/C(CN(Cc1cccs1)C[C@@H]1CCCO1)=N\c1ccc2ccccc2c1 82055651 HCNFGBRMJVYABV-FQEVSTJZSA-N 380.513 5.171 30 40 GKEB CCCCCCCCCCCC(=O)C1=C(OC)CC(C)(C)[C@H](C(=O)OC)C1=O 100740663 IYDDVEFHLYPXJZ-FQEVSTJZSA-N 394.552 5.165 30 40 GKEB biogenic C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C=O)[C@@H]1CC[C@H]2Oc1ccccc1 118927541 FTBCCQMRVHGCFJ-VVQSFYORSA-N 378.512 5.145 30 40 GKEB CC(C)N1c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3)cc2[C@@H](C)CC1(C)C 223541833 HOIXZRFJKAGKEJ-YQCVNYCESA-N 380.492 5.541 30 40 GKEB CCCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)cc1 408907966 CUIIVGIXCHCPBU-NVZLDUMVSA-N 394.540 5.796 30 40 GKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc(N4CCCC4)cc3)c2C#N)C1 409062546 WOMXXMXFCQTXQG-CVLFLDGLSA-N 391.584 6.122 30 40 GKEB C#CCN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)s2)C1=O 1097406 KUBIHDCUOGOOKX-UVTDQMKNSA-N 391.926 5.222 30 40 GKEB COc1ccc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc1 1276113 WVMIRCJKOBFUNZ-UHFFFAOYSA-N 393.527 5.011 30 40 GKEB Cc1ccc(-n2nc(C)c3c2NC2=C(C(=O)CC(C)(C)C2)[C@@H]3c2ccccn2)cc1 18199305 UESOHZFNLOWQFW-HSZRJFAPSA-N 398.510 5.085 30 40 GKEB CSc1nc(Nc2cccc(Cl)c2)c(C#N)c(-c2ccc(Cl)cc2)n1 19820512 GVHYDWCRVKHEJO-UHFFFAOYSA-N 387.295 5.788 30 40 GKEB O=C1NC(=N\c2cccc(C(F)(F)F)c2)/C(=C/c2ccc(Cl)cc2)S1 32597704 HLTMMIRDLQPQQA-ZSOIEALJSA-N 382.794 5.886 30 40 GKEB COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)cc1 36517305 BHAKLMWJDKFNLD-HXUWFJFHSA-N 379.500 5.509 30 40 GKEB CCCCCCCOC(=O)C1[C@@H](c2ccccc2)C(C(=O)O)[C@H]1c1ccccc1 49784561 ZCPGURXHGYKDDY-OIRDZHBESA-N 394.511 5.398 30 40 GKEB CC(C)c1ccc(/C=N/c2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 59425582 WLNDAGQWXOEMRV-YZSQISJMSA-N 382.532 7.351 30 40 GKEB N#Cc1c(Cl)nsc1NCCc1csc(-c2ccccc2Cl)n1 95442239 OHXKNWNAOHHJEX-UHFFFAOYSA-N 381.313 5.100 30 40 GKEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(C)cc2)C[C@H]1c1ccc(Cl)c(F)c1 97105040 PPBRODYKQVLJPV-UWJYYQICSA-N 386.850 5.107 30 40 GKEB Cc1cc(C)c2oc(-c3cccc(/N=C/c4cc(Cl)ccc4O)c3)nc2c1 100933753 KCXYEAYODRRRCK-WYMPLXKRSA-N 376.843 6.221 30 40 GKEB Cc1ccc(C)c(NC2=C(c3ccc(C(F)(F)F)cc3)C(=O)c3ccccc32)c1 101091759 SQCFMWBHAPMQSM-UHFFFAOYSA-N 393.408 6.499 30 40 GKEB CCCCCCCCCCOCCCNC(=O)c1ccc2ccccc2c1O 102054385 RZHVLRFICXJXRZ-UHFFFAOYSA-N 385.548 5.823 30 40 GKEB CC1(C)C[C@@H]2C[C@](C)(CN2CC#CC[C@@](O)(c2ccccc2)C2CCCC2)C1 102475497 HTAKNOHRSLCONI-DMTNHVFBSA-N 379.588 5.359 30 40 GKEB C=Cn1c(C(=O)C(F)(F)F)cc(CCCCCCCCC)c1-c1ccccc1 103009015 HNZQNTSLWFZBRZ-UHFFFAOYSA-N 391.477 7.294 30 40 GKEB CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C=CC4=CC(=O)CC[C@@]4(C)[C@H]3CC[C@]12C 257345505 XIWMRKFKSRYSIJ-IXWRYTCVSA-N 382.632 7.373 30 40 GKEB O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1cc(Cl)c(O)c(Cl)c1 408530125 KTZMDJTVNBGUGT-QPEQYQDCSA-N 399.686 5.244 30 40 GKEB Cc1ccc(C(=O)/C=C/c2cc(C)n(-c3ccc(Cl)c([N+](=O)[O-])c3)c2C)cc1 408692365 KVMWEVOTDXCMIT-DHZHZOJOSA-N 394.858 5.860 30 40 GKEB CCCCN1C(=O)/C(=C\C=C\c2ccccc2)S/C1=N\c1ccc(C)cc1 408913491 MRECNDPBTOTUAG-RJZLAWLGSA-N 376.525 5.955 30 40 GKEB N#Cc1ccc(-c2ccc(OCC(=O)Nc3ccc(F)c(Cl)c3)cc2)cc1 3346213 PLYLCLZAHBQROE-UHFFFAOYSA-N 380.806 5.035 30 40 GKEB C=CCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC=C)n2)cc1 3637055 TZBXJZGATCLWJK-UHFFFAOYSA-N 376.403 5.482 30 40 GKEB C/C(=N/Nc1nc(-c2ccccc2)c2cc(C)ccc2n1)c1nc2ccccc2[nH]1 4750527 LWVTWBZWGLZNBW-MWLSYYOVSA-N 392.466 5.318 30 40 GKEB Cc1ccccc1/N=C/c1cc(Cl)ccc1OCc1cccc2ccccc12 8570853 MBVCPNLGSRZALQ-JVWAILMASA-N 385.894 7.131 30 40 GKEB COc1cc(/C=N/Nc2cc(C)nc3ccccc23)ccc1OCc1ccccc1 41127755 XURKQUMGKOBYME-WGOQTCKBSA-N 397.478 5.577 30 40 GKEB CC[C@@H](CNc1oc(-c2ccc(Br)o2)nc1C#N)c1ccccc1 61997202 BTWYXJRMSASGSJ-LBPRGKRZSA-N 386.249 5.174 30 40 GKEB O=[N+]([O-])c1ccc(/N=C(\Cl)C(Cl)(c2ccccc2)c2ccccc2)cc1 95857958 MHEVPAXFIPWKCZ-NMWGTECJSA-N 385.250 6.046 30 40 GKEB Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2ccc(Cl)cc2Cl)S1 408863780 QVQVBVIIJHVUFI-CHHVJCJISA-N 397.714 5.847 30 40 GKEB O[C@](CC#CCN1CCCC1)(c1ccccc1)c1ccc(-c2ccccc2)cc1 2291493 MWUYMBBXAJPPHW-HHHXNRCGSA-N 381.519 5.079 30 40 GKEB O=C1/C(=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)Cc2ccccc21 3252622 OSQGOADBZNZYCE-FCDQGJHFSA-N 387.482 6.979 30 40 GKEB CC[C@H](C)c1ccc(NC(=O)CON=C2c3ccccc3-c3ccccc32)cc1 3311407 GUMSICHFTPGDCB-KRWDZBQOSA-N 384.479 5.588 30 40 GKEB COc1ccccc1C(C1=C(O)CC(C)(C)CC1=O)C1=C(O)CC(C)(C)CC1=O 4889548 CGSBPTAPYRCIMQ-UHFFFAOYSA-N 398.499 5.181 30 40 GKEB O=C(O)c1ccc(N/N=C/c2ccccc2OCc2ccccc2Cl)cc1 5155788 UGCUOSOJAAZUAO-YDZHTSKRSA-N 380.831 5.063 30 40 GKEB O=C(Nc1cc(Cl)c(/N=C/C=C/c2ccccc2)cc1Cl)c1ccccc1 5515226 JJZRJPCYOFZDAC-ZSUUSQSNSA-N 395.289 6.661 30 40 GKEB CCOc1ccc(/N=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)cc1 6962507 JGBIFVXPVZCQBC-AFUMVMLFSA-N 383.850 6.207 30 40 GKEB CC(C)(C)c1cc(C(F)(F)F)c(C#N)c(SCc2ccc(C#N)cc2)n1 9343679 MYGOCLXCSPEQAC-UHFFFAOYSA-N 375.419 5.434 30 40 GKEB N#Cc1ccc(-c2csc(NC(=O)CCCSc3ccc(F)cc3)n2)cc1 10218099 BPRXBFYICDYOLH-UHFFFAOYSA-N 397.500 5.332 30 40 GKEB CSc1nc(Nc2ccc(C(C)C)cc2)c(C#N)c(-c2ccc(Cl)cc2)n1 19820634 RMCNXAPROKIPEC-UHFFFAOYSA-N 394.931 6.258 30 40 GKEB O=[N+]([O-])c1ccc(/C=N\c2ccc(O)c(-c3nc4ccccc4s3)c2)cc1 100846167 CPGOMEAGWOYBAG-MTJSOVHGSA-N 375.409 5.328 30 40 GKEB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N\Nc3ccc(C(=O)O)cc3)cc21 223506216 WFTWXWIFFQHIFF-QFEZKATASA-N 391.515 5.550 30 40 GKEB CCCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)cc1C#N 225754449 RZADGDVCRBEJGU-UHFFFAOYSA-N 392.499 5.196 30 40 GKEB CCCCCCCCCCCOC(=O)NC(=S)c1cccc2ccccc12 408733055 VHOADUVVNKZGEV-UHFFFAOYSA-N 385.573 6.772 30 40 GKEB COc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)ccc1O 408939255 MDLUVSUEKKPUQK-LDVLOHNYSA-N 396.490 5.978 30 40 GKEB Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/c3ccc(C)c(C)c3)cc2)cc1 409212292 OPDKCTZUVQXDEX-HZHRSRAPSA-N 379.481 5.130 30 40 GKEB C=CCn1c(COc2c(C)cccc2C)nnc1SCc1ccccc1Cl 409339211 STZHCRKLJSNTIZ-UHFFFAOYSA-N 399.947 5.606 30 40 GKEB N#C[C@@]1(Cc2ccc(Cl)cc2)c2ccccc2C=CN1C(=O)c1ccccc1 629044 OOAILIORQKTLIT-DEOSSOPVSA-N 384.866 5.428 30 40 GKEB aggregator c1ccc(CN(Cc2ccccc2)N=C(c2ccccc2)c2ccccc2)cc1 1709534 GQUIDXAZRHOYQF-UHFFFAOYSA-N 376.503 6.141 30 40 GKEB COC(=O)CSc1nc(-c2ccccc2Cl)cc(-c2ccccc2)c1C#N 3117490 STERZVGKVRXXNM-UHFFFAOYSA-N 394.883 5.206 30 40 GKEB N#Cc1ccc(-c2ccc(Cl)c(Cl)c2)nc1Sc1ccc(Cl)cc1 3128311 XAGZIGCPMSOIDE-UHFFFAOYSA-N 391.710 6.732 30 40 GKEB Cc1ccc(/C=N/N=C2/S[C@H](C)C(=O)N2Cc2cccc3ccccc23)cc1 4954001 AYUAGQVQJFONOG-TXINLPKESA-N 387.508 5.002 30 40 GKEB O=C1/C(=C/c2ccccc2OC(F)F)CC/C1=C\c1ccccc1OC(F)F 5859790 YHNLUJGQHPSSDO-JOBJLJCHSA-N 392.348 5.719 30 40 GKEB COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(Br)c1O 6047463 LYBZVPQWRCCIDH-BJMVGYQFSA-N 389.289 5.357 30 40 GKEB O=C(/C=C/c1ccccc1)Oc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O 13627463 SSMQGBXIBFRGHU-WSHPORRNSA-N 386.378 5.061 30 40 GKEB Cc1ccc(-c2c(C(=O)/C=C/c3cccc(C)c3)c(C)nc3ccccc23)cc1 89640969 HQHDZDWXJBQWKL-DTQAZKPQSA-N 377.487 6.723 30 40 GKEB Cc1ccc(NC(=O)COc2ccc(/C=N\c3ccc(Cl)cc3)cc2)cc1 100142471 GEADRKQYJYHGQB-OYKKKHCWSA-N 378.859 5.417 30 40 GKEB CCc1ccc2oc(-c3cc(/N=C/c4ccc([N+](=O)[O-])cc4)ccc3O)nc2c1 102868311 HPHNHRZLSQLOTM-YDZHTSKRSA-N 387.395 5.422 30 40 GKEB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccccc1F)C2=O 245228822 GEMAOHATSXXMSE-SBEBFCLWSA-N 394.530 5.712 30 40 GKEB Cc1cc(/C=N\OCc2ccccc2)c(C)n1-c1ccc(Br)cc1 408782396 HTLDFFQYXPERKE-XKZIYDEJSA-N 383.289 5.407 30 40 GKEB O=[N+]([O-])c1ccc(N/N=C/c2cccc(OCc3cccc4ccccc34)c2)nc1 408887825 RLQMEICKCINXLB-AFUMVMLFSA-N 398.422 5.168 30 40 GKEB COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)ccc1C 408912076 KVDRCINBFFGQRO-DYEBMTOPSA-N 380.513 5.324 30 40 GKEB CC(C)COc1ccc(-c2c(-c3ccccc3)c[nH]c(=N)c2C#N)c2ccccc12 408980957 UODZXDFGRPMXMY-UHFFFAOYSA-N 393.490 5.888 30 40 GKEB COc1cccc(/C=N\c2ccc(C)cc2C)c1OCc1ccc(C(=O)O)cc1 409186941 JWJPDXWRWAOONA-QFEZKATASA-N 389.451 5.340 30 40 GKEB Cc1c(C(=O)C(F)(F)C(F)(F)C(F)(F)F)sc2ccc(Cl)cc12 575362124 FMACMPPVBKXJLL-UHFFFAOYSA-N 378.696 5.879 30 40 GKEB CSc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1 714746 SBSQNFOBYBRDJI-UHFFFAOYSA-N 396.552 5.809 30 40 GKEB O=C(/C=C/c1ccco1)C(C(=O)/C=C/c1ccco1)=C1SCCCCS1 1086417 BEMNMKSGKDIJNR-FIFLTTCUSA-N 386.494 5.209 30 40 GKEB CCOc1ccc([C@@H]2Sc3ccccc3NC3=C2C(=O)c2ccccc23)cc1 2441096 XTBLSOFEZDCBMO-DEOSSOPVSA-N 385.488 5.952 30 40 GKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc(Cl)cc1N[C@H]2c1cccc([N+](=O)[O-])c1 5203221 GPUBYNOKVNWERC-FQEVSTJZSA-N 397.862 5.470 30 40 GKEB CCOc1cc(/C=N/c2cccc(C)c2C)ccc1OCc1ccc(Cl)cc1 6961282 FROSPKNTUMISML-CVKSISIWSA-N 393.914 6.685 30 40 GKEB CCCCCOc1ccc(/C(C)=N/Nc2nc(-c3ccc(C)cc3)cs2)cc1 14257491 BLGRWDDYSPAADW-XIEYBQDHSA-N 393.556 6.524 30 40 GKEB Cc1ccc(-n2nc(C)c3c2NC2=C(C(=O)CCC2)[C@H]3c2cc(C)ccc2O)cc1 18196976 BBQHCXWTJGTVHE-QHCPKHFHSA-N 399.494 5.068 30 40 GKEB CCCCOc1ccc(C(=O)O/N=C(\Cc2ccccc2)c2cccs2)cc1 36644274 OIFNYBXRQKPMDQ-DARPEHSRSA-N 393.508 5.731 30 40 GKEB CC[C@H](C)c1ccc(/N=C/c2cc(Br)c(N3CCCC3)o2)cc1 59248266 LKPQYCZYBQDZTC-HADWXUJASA-N 375.310 5.906 30 40 GKEB C(=N/c1ccc(/N=N/c2ccccc2)cc1)\c1c2ccccc2cc2ccccc12 100041517 FEHMVYCMCCHJNH-DOJSKZQGSA-N 385.470 8.159 30 40 GKEB CCCCC(=O)C1=C(NCCc2c(C)[nH]c3ccc(C)cc23)CC(C)(C)CC1=O 100140353 OHZVNTHVDFSMKL-UHFFFAOYSA-N 394.559 5.319 30 40 GKEB COc1ccc(/N=C/c2ccc3c(c2)C(C)=CC(C)(C)N3C(C)C)cc1Cl 223483115 UNAXXPSVCDXXFC-AFUMVMLFSA-N 382.935 6.510 30 40 GKEB Cc1cc(/C=N\c2ccc(Cl)cc2Cl)c(C)n1-c1ccc(Cl)cc1 408776510 PICIPKHZONRYML-KSEXSDGBSA-N 377.702 6.805 30 40 GKEB COc1cccc(/C=N/c2ccc(Oc3ccccc3)cc2)c1O[C@H](C)C(=O)O 409222865 XXDSJZIEIAEZNH-DTVDJLOLSA-N 391.423 5.090 30 40 GKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)Nc3ccccc3Cl)c2C#N)C1 2772905 SDMNMICIKLXTAD-GFCCVEGCSA-N 387.936 6.068 30 40 GKEB Cc1cccc(C)c1NC(=S)N/N=C/c1c2ccccc2cc2ccccc12 3262389 SOMFUCMSTJFXGA-MFKUBSTISA-N 383.520 5.930 30 40 GKEB CCOc1ccc(-c2csc(/C(C#N)=N/Nc3ccc(Cl)cc3)n2)cc1 4175393 QRUOXLDSAJZUHW-JJIBRWJFSA-N 382.876 5.202 30 40 GKEB FC(F)(F)c1cccc(-n2cccc2/C=N/c2ccc(N3CCOCC3)cc2)c1 4738879 ANCUVFVWBBSCFS-WGOQTCKBSA-N 399.416 5.083 30 40 GKEB Cc1ccc(OCc2ccc(-c3nc(C#N)c(N[C@H](C)c4ccccc4)o3)o2)cc1 8844504 BGYDDBRXMSLJRT-QGZVFWFLSA-N 399.450 5.867 30 40 GKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CSc3ccccc3N)c2C#N)C1 9273619 IORXZRNLJHDKSS-CYBMUJFWSA-N 399.585 5.084 30 40 GKEB COc1ccccc1CNc1nc(-c2cn(CCC#N)c3ccccc23)cs1 12510787 RONIXYNXPIZEEV-UHFFFAOYSA-N 388.496 5.299 30 40 GKEB C[C@@]1(c2ccccc2)CCCCC/C1=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 18088520 MULHDGTUHCRWOZ-XXBRTLJISA-N 382.420 5.193 30 40 GKEB COC(=O)c1ccc(-n2c(C)cc(/C=N\c3ccc4ncccc4c3)c2C)cc1 100279330 JIIZUKOPZXCTIA-YSMPRRRNSA-N 383.451 5.180 30 40 GKEB CCc1ccc(/N=C2\S/C(=C/c3cccc(Cl)c3Cl)C(=O)N2C)cc1 101506679 IOMXWQAXWSZBJD-NZQUJZJYSA-N 391.323 5.790 30 40 GKEB CCCCCCCC[C@]1(CCCCCCCCC(=O)O)OCC(C)(C)N1[O] 138559007 DFHFGMNGBOGGPV-JOCHJYFZSA-N 384.581 6.095 30 40 GKEB C=CCOc1cccc(NC(=S)NCCSCc2ccccc2Cl)c1 225297334 NORGVALVYXWRRY-UHFFFAOYSA-N 392.977 5.125 30 40 GKEB N#Cc1ccccc1NC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 408621077 JOZLKHRXUXNVFU-SOFGYWHQSA-N 383.234 5.777 30 40 GKEB COc1ccc(Cl)cc1/N=C/c1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C 408966391 LIIFTOBBCPCXHY-CVKSISIWSA-N 394.946 6.804 30 40 GKEB CCOc1ccc(-n2c(C)cc(/C=N/c3ccc([N+](=O)[O-])cc3C)c2C)cc1 409186694 GOPSLBRMBINADM-OEAKJJBVSA-N 377.444 5.460 30 40 GKEB Fc1ccc(F)c(Oc2c(F)cc(C(F)(F)F)cc2F)c1Br 1504250523 YVGZAZRGUKEOAA-UHFFFAOYSA-N 389.064 5.817 30 40 GKEB Cc1nc(SCC(=O)c2ccc(Cl)cc2Cl)c(C#N)c2c1CCCC2 947952 VGVBCVZTHFNEMZ-UHFFFAOYSA-N 391.323 5.422 30 40 GKEB C(=N/c1ccc(Nc2ccccc2)cc1)\c1ccccc1OCc1ccccc1 2848896 BENJHAJBGPWXHE-ZXVVBBHZSA-N 378.475 6.760 30 40 GKEB C=C1[C@@H](C(=O)Nc2cccc3ccccc23)[C@@H]1C(=O)Nc1cccc2ccccc12 3177708 NRVBVXXCCOBZLH-DNQXCXABSA-N 392.458 5.372 30 40 GKEB C=CCNC(=O)c1ccc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 3469642 UFDCGKWYGHTSOK-UHFFFAOYSA-N 389.307 5.700 30 40 GKEB Cc1c(C(=O)OC(C)C)sc(NC(=O)c2ccc(C(C)(C)C)cc2)c1C#N 4144636 SKSJUFUPXICUKP-UHFFFAOYSA-N 384.501 5.043 30 40 GKEB CC(=O)O[C@H]1CC[C@H]2[C@@H]3C[C@H](C(F)(F)F)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 4726674 UJAUIJIBACQMCG-CWFJNAJYSA-N 398.465 5.238 30 40 GKEB COc1ccc(C(=N/Nc2ccccc2)/N=N/c2ccc([N+](=O)[O-])cc2)cc1 4776531 BOBUKNXNOGEMTP-JVVTXYFXSA-N 375.388 5.161 30 40 GKEB O=[N+]([O-])c1ccc(NN=C2CCC(C3CCCCCCC3)CC2)c([N+](=O)[O-])c1 9088488 NZTTWUXTIQXOHF-UHFFFAOYSA-N 388.468 5.822 30 40 GKEB CN(C)c1ccc(/C=C2/CCC/C(=C/c3ccc(OC(F)F)cc3)C2=O)cc1 33350140 NUVKWJHNZFGASG-DJTQBEGKSA-N 383.438 5.574 30 40 GKEB CCCCCCCC(=O)Oc1ccc(C(=O)/C=C/c2cccc(Cl)c2)cc1 100165702 DMMLGUPEEQVFOE-LFIBNONCSA-N 384.903 6.502 30 40 GKEB O=C(/C=C(/c1ccccc1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1c1ccccc1)c1ccccc1 104146761 LBHWEQWBWMJLLL-STSPDCTFSA-N 376.499 6.559 30 40 GKEB Cc1cc(/C=N/c2ccc3ncccc3c2)c(C)n1-c1ccc2ncccc2c1 198061057 GDFHDMVUTWKZPW-LQKURTRISA-N 376.463 5.941 30 40 GKEB CSc1ccc(C(=O)/C=C\c2cc(C)c(OC(C)(C)C(=O)O)c(C)c2)cc1 209899574 AFLFKFHDSCQHOL-WDZFZDKYSA-N 384.497 5.163 30 40 GKEB CC(C)COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1C#N 225683578 ZZGRWFVBQDKONH-UHFFFAOYSA-N 380.463 5.183 30 40 GKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(OC)c(C)c2)C(=O)N1CC 408908003 CZROCRXVDFINLR-QNQNADBQSA-N 380.513 5.190 30 40 GKEB CCN1C(=O)/C(=C\c2cn(C)c3ccccc23)S/C1=N\c1ccc(C)cc1 408911139 JEMJJIHCMSNZRC-DYEBMTOPSA-N 375.497 5.111 30 40 GKEB Cc1ccc(/C=N/Nc2nc(-c3ccc(C)c(C)c3)c(-c3ccccc3)s2)o1 408978050 XXCLNNMBTINGGC-ZVHZXABRSA-N 387.508 6.441 30 40 GKEB Cc1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccccc2)cc1 1780545 ZFGJJXVVLNFSDA-LFVJCYFKSA-N 384.508 5.428 30 40 GKEB O=C1/C(=C\c2ccc(-c3ccccc3)cc2)[C@@H](c2ccccc2)Oc2ccccc21 3324108 AKKXRUZBPHSEAB-PDUUCECCSA-N 388.466 6.754 30 40 GKEB O=C(/C(=C\c1ccc(Cl)cc1Cl)c1nc2ccccc2o1)c1ccccc1 4747040 FCPZPDQOISMPOS-SFQUDFHCSA-N 394.257 6.558 30 40 GKEB Cc1cccc(C)c1/N=C1\NC(=S)N(c2ccc(Cl)cc2)C12CCCCC2 5705435 JHIRGOQAGWKOIN-UHFFFAOYSA-N 397.975 6.084 30 40 GKEB O=C(/C=C/c1ccc(Cl)cc1)c1ccc(-n2nncc2-c2ccccc2)cc1 5775822 XKEWTYWFCOAEBR-OVCLIPMQSA-N 385.854 5.484 30 40 GKEB Cc1ccc(C(=O)/C(=C/c2ccc3c(c2)OCO3)c2nc3ccccc3o2)cc1 12948369 UXJXCJSRFNNHEK-PDGQHHTCSA-N 383.403 5.288 30 40 GKEB O=[N+]([O-])c1ccc(N/N=C/c2cccc(OCc3ccccc3Cl)c2)cc1 58822942 JDAIXKOMRBGOJH-LPYMAVHISA-N 381.819 5.273 30 40 GKEB C=CCOC(=O)/C=C/c1ccc(OC)c(OCc2ccc(Cl)c(Cl)c2)c1 216899136 HSZLVWTYCJQPJZ-RMKNXTFCSA-N 393.266 5.323 30 40 GKEB C=CCN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc2ccccc2c1 225052692 DGCNWQHMPCGZPV-UHFFFAOYSA-N 392.307 5.528 30 40 GKEB Cc1ccc(/N=C\c2ccc(-c3ccc(C)c(C(=O)O)c3)o2)c(Br)c1 408852880 NWQJTYLVCITZOD-JJFYIABZSA-N 398.256 5.775 30 40 GKEB CC(=O)Nc1ccc(/N=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cc1 408966081 JTQGNYBONIEVTF-WGOQTCKBSA-N 387.527 6.101 30 40 GKEB Cc1cccc(Cn2cc(-c3c4c([nH]c(=N)c3C#N)CCCC4)c3ccccc32)c1 408977735 FKJXUCRGNPZQFH-UHFFFAOYSA-N 392.506 5.223 30 40 GKEB C=CCc1cc(-c2nc(O)c3c4c(sc3n2)CCCCCC4)cc(OC)c1O 408998062 JVVYVENNKCLUBS-UHFFFAOYSA-N 396.512 5.166 30 40 GKEB CCn1cc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)c2ccccc21 409308133 XKQWQRHWYBKRIQ-UHFFFAOYSA-N 398.510 5.301 30 40 GKEB COc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCc1ccc(C(=O)O)o1 409386019 QCCYTRZMLOBYCX-FOKLQQMPSA-N 399.830 5.278 30 40 GKEB CC(C)[C@H](C(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1)c1ccc(Cl)cc1 3332364 OGSHNFOGAZSAJM-QHCPKHFHSA-N 389.882 6.224 30 40 GKEB O=C(/C=C/c1ccccc1)Oc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)cc1 3985979 USUVUSDICXDFMW-GONBZBRSSA-N 388.850 5.855 30 40 GKEB C=CCOc1cc([N+](=O)[O-])ccc1N=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1 4832615 QOYVFKSBPYFXQJ-UHFFFAOYSA-N 396.487 5.760 30 40 GKEB Cc1cc(C)c2c(c1)C(=O)/C(=C\c1ccc(N3CCCC3)c([N+](=O)[O-])c1)CC2 5693351 VJRNHWBLIQHRJT-AQTBWJFISA-N 376.456 5.024 30 40 GKEB Cc1cc(SCc2ccc(C#N)cc2)nc(SCc2ccc(C#N)cc2)n1 9970831 HEJBDSLKTYNKRS-UHFFFAOYSA-N 388.521 5.113 30 40 GKEB COc1ccc(/C=C2\Oc3cc(OCc4ccc(F)cc4)ccc3C2=O)cc1 11869292 CNQRGHLHWJYLSW-UUYOSTAYSA-N 376.383 5.030 30 40 GKEB C/C(=N\n1c(-c2cccc(Cl)c2)cs/c1=N\C(C)C)c1ccc(O)cc1 15911269 BPYTUBPRFDVKRU-QCJFIOECSA-N 385.920 5.157 30 40 GKEB COc1ccc([C@@]2(CC/N=C\c3ccc(N(C)C)cc3)CCOC(C)(C)C2)cc1 100340666 FIVMSMFFNOEBKL-BIAHXVBSSA-N 394.559 5.097 30 40 GKEB C=CCOc1cccc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)c1 216406472 UBMYVNBWNRJSLL-UHFFFAOYSA-N 384.479 5.066 30 40 GKEB C=CCOc1ccc(NC(=O)C(C)(C)Cc2ccc(C)cc2)cc1C(F)(F)F 225956979 ZGTUGOFUSLNERJ-UHFFFAOYSA-N 391.433 5.786 30 40 GKEB CCN1C(=O)/C(=C\c2c(F)cccc2Cl)S/C1=N\c1cc(C)ccc1C 408913744 UCPUOEJZNSNYQG-DSBFQLCGSA-N 388.895 5.720 30 40 GKEB Cc1ccc(-n2c(C)cc(/C=N/c3ccc(N4CCOCC4)cc3)c2C)cc1C 408931017 GDAVYBGBULNGPQ-YZSQISJMSA-N 387.527 5.298 30 40 GKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(N4CCCCC4)cc3)S2)cc1C 408962238 XNMMTLNBSRGDAM-QNGOZBTKSA-N 391.540 5.185 30 40 GKEB Cc1ccc(N=C2NC(=O)/C(=C\c3cn(C(C)C)c4ccccc34)S2)cc1 408962913 VZRJPMGAEWAVSJ-UDWIEESQSA-N 375.497 5.422 30 40 GKEB CCn1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c2ccccc21 409089466 JEZHMUFXOXQNNL-OXVLKEGXSA-N 389.568 6.496 30 40 GKEB Cc1ccccc1/N=C1\S/C(=C\c2ccccc2)C(=O)N1c1ccccc1C 1808886 WKDCPSKHZHJVET-WMOWQXFYSA-N 384.504 6.112 30 40 GKEB CC[C@@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccccc2)C1=O 2322586 ANHBODYUXROSCJ-DZRHBTRISA-N 387.508 5.084 30 40 GKEB CC(C)(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 2378087 FOMAMUKDTWRGGS-MOSHPQCFSA-N 378.468 5.552 30 40 GKEB Cc1ccc2c(C#Cc3ccccc3)c3ccccc3c(C#Cc3ccccc3)c2c1 2386310 KBIWITFMKHHGQY-UHFFFAOYSA-N 392.501 7.101 30 40 GKEB CN(C)c1ccc(/C=C2/CCC/C(=C\c3ccc(OC(F)F)cc3)C2=O)cc1 4819722 NUVKWJHNZFGASG-KPNKYRRCSA-N 383.438 5.574 30 40 GKEB CCc1ccc2nc(SCC(=O)Nc3c(C)cccc3CC)c(C#N)cc2c1 4848922 FBOBPBIYNPJUHT-UHFFFAOYSA-N 389.524 5.271 30 40 GKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3ccc(O)cc3)cc1)N2 5394497 XCVAGNAIAKKPKT-VNCGKFBJSA-N 380.491 6.278 30 40 GKEB CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1F 6187057 ZTYCETUUXNPMDN-NRFANRHFSA-N 395.474 5.293 30 40 GKEB O=C1c2ccccc2/C(=N\c2ccccc2)[C@@H]1c1cccc(Br)c1 18285361 LOWAVSRANSPYOF-YFJJEWJYSA-N 376.253 5.550 30 40 GKEB C/C(=N/Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccccc1O 101020481 CWNFZKXEFULUNT-FBHDLOMBSA-N 378.284 5.659 30 40 GKEB COc1ccc(Cl)cc1/N=C/c1cc(C)n(-c2ccc3ncccc3c2)c1C 166075909 LMIUCQSQOIDRPR-VULFUBBASA-N 389.886 6.055 30 40 GKEB COC(=O)c1cccc(Cn2cc(/C=N/c3ccc(C)c(C)c3)c3ccccc32)c1 408542512 LXZSZNJYXOFRPI-JFLMPSFJSA-N 396.490 5.844 30 40 GKEB COc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc(OC)c1O 409083098 UQCZCEBJEVLXPA-REMUQMNCSA-N 398.528 5.244 30 40 GKEB C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)C1=O 409108390 XHZYOUKEXULGKH-RQZCQDPDSA-N 390.867 5.109 30 40 GKEB N#Cc1ccccc1CN1C(=O)S/C(=C/c2cccc(Cl)c2Cl)C1=O 409161373 UFPDBZPZSZUOJY-OVCLIPMQSA-N 389.263 5.102 30 40 GKEB O=C(/C=C/N1CCN(c2cccc(Cl)c2)CC1)c1ccc(Cl)c(Cl)c1 2385070 SLNYQMUPDZBKPY-VOTSOKGWSA-N 395.717 5.165 30 40 GKEB N#C/C(=N\Nc1cccc(C(F)(F)F)c1)c1nc(-c2ccc(F)cc2)cs1 4175479 LQUJBWRHBDYVOS-CVKSISIWSA-N 390.365 5.308 30 40 GKEB Clc1ccc(-c2ccc(/C=N/NCc3ccccc3Cl)o2)cc1Cl 8811427 PJZPQTSBGGUXIV-FOKLQQMPSA-N 379.674 6.031 30 40 GKEB CCOC(=O)c1c(/N=C/c2ccc(Br)cc2)sc2c1CCCC2 59460186 SXNPROPYMZLNPX-RGVLZGJSSA-N 392.318 5.317 30 40 GKEB COc1cc(/C=N/c2ccc(N(C)C)cc2)ccc1OCc1ccccc1Cl 100384113 QWBXQTWMEATWNP-MFKUBSTISA-N 394.902 5.744 30 40 GKEB COc1ccc(/C=C/C(=O)C2CC2)cc1CSc1nc2ccccc2s1 1269607 UKMOKACQHJHVAS-UXBLZVDNSA-N 381.522 5.590 30 40 GKEB CC1(C)SC(=S)N(c2ccccc2)[C@H]1/[N+]([O-])=C/c1c(F)cccc1Cl 1436807 STFMVAFRKLDZMW-NBZOHKLQSA-N 394.924 5.051 30 40 GKEB C=C(C)COc1ccccc1/C=C1\N=C(c2ccc(Cl)c(Cl)c2)OC1=O 2137466 BBCHIORSAQKVDO-YVLHZVERSA-N 388.250 5.293 30 40 GKEB C1=C/C(=N\C2CCCCC2)C=C2C1=N[C@]13CCCC[C@H]1CC1=C(CCCC1)N23 2255713 SVPQRBCSONEAHF-NYPJHWHKSA-N 375.560 6.089 30 40 GKEB N#Cc1c(NC(=O)c2ccc(Oc3ccccc3)cc2)sc2c1CCCCC2 3209598 VTHFERHLMZSEFQ-UHFFFAOYSA-N 388.492 5.933 30 40 GKEB O=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccc(-c3nc4ccccc4[nH]3)cc2)c1O 4712882 GGADBZOLECAEQP-SSDVNMTOSA-N 392.802 5.248 30 40 GKEB Cc1cccc(-c2nnc(SCc3ccccc3C#N)n2Cc2ccco2)c1 6604581 PDPGUYYVHXWGEA-UHFFFAOYSA-N 386.480 5.059 30 40 GKEB CCOc1c(Br)cc(/C=N/c2ccc(C)cc2)cc1Br 6957963 HBLHNJJQZVIXKP-VXLYETTFSA-N 397.110 5.669 30 40 GKEB O=C(CCc1ccc(-c2ccccc2)o1)NCC#Cc1cccc(C(F)(F)F)c1 14162132 UTDPFUCHFARAEG-UHFFFAOYSA-N 397.396 5.066 30 40 GKEB N#C[C@@H](c1ccccc1)N1CCCN([C@@H](C#N)c2ccccc2)C1c1ccccc1 19325919 BTRDHLJSHCSLHF-DQEYMECFSA-N 392.506 5.223 30 40 GKEB CCCCCCCCCCNc1ccc(C(=O)Oc2ccc(C=O)cc2)cc1 100921637 MAABAUKMVBLBFO-UHFFFAOYSA-N 381.516 6.271 30 40 GKEB CCCCCCCCCCCCNC(=O)/C=C/c1c(Cl)cccc1Cl 102180133 KSPDGVIWTKDFKO-FOCLMDBBSA-N 384.391 7.044 30 40 GKEB CCCCCCCCCCCCCCOC(=O)[C@H](N)Cc1ccc(O)cc1 104270853 JQUILGRBBMHOSS-JOCHJYFZSA-N 377.569 5.506 30 40 GKEB C=CCOc1ccc(NC(=S)N[C@@H](c2ccccc2)c2ccccc2C)cc1 225506784 AUWVAIWFRPPQJJ-QHCPKHFHSA-N 388.536 5.636 30 40 GKEB N#Cc1ccccc1CO/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 408596561 ZZAVVTGEPVLISU-AFUMVMLFSA-N 376.843 5.341 30 40 GKEB CC1=NOC(=O)/C1=C\c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 409085457 SGCAEQMGIKHZSE-NSIKDUERSA-N 380.202 5.028 30 40 GKEB COc1cccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1OC 409092113 VDTDFTFYPIMCSQ-GMJSKMFWSA-N 382.529 5.539 30 40 GKEB COc1ccc([C@@H](CC#N)[C@H](C#N)c2ccc(Cl)cc2Cl)cc1OC 1084371 HSFRTCRSRLGYCS-ZBFHGGJFSA-N 375.255 5.315 30 40 GKEB CCCCCc1ccc(C(=O)/C=C/C(=O)c2ccc(CCCCC)cc2)cc1 2387473 SCGZARXFSSVTDJ-FMQUCBEESA-N 376.540 6.774 30 40 GKEB O=C1/C(=C/Nc2ccccc2)[C@@H](Nc2ccccc2)Oc2ccc(Cl)cc21 5395086 DWXIVNHSMQQMCZ-DJAVKIJBSA-N 376.843 5.349 30 40 GKEB COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OCc1ccccc1Cl 6338256 SFJPYEROXMOGDD-UKTHLTGXSA-N 392.882 6.132 30 40 GKEB Cc1cc(I)cc(/C=N/c2ccc3ccccc3c2)c1O 6424907 BQXFUGZTRACEJD-RGVLZGJSSA-N 387.220 5.209 30 40 GKEB C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\C=C\c1ccccc1 36624056 CNATZRJRPIOVRF-GWISQRGESA-N 398.550 6.389 30 40 GKEB Cc1ccc(/N=C\c2cc(F)c(N3CCCC3)cc2C)c(Br)c1 108251820 KSFNRBVCXDCQRQ-UUYOSTAYSA-N 375.285 5.556 30 40 GKEB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/Nc3ccc([N+](=O)[O-])cc3)cc21 208246665 PMELABXPCSSTQY-AEOXGOBCSA-N 386.883 5.416 30 40 GKEB C=CCn1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c2ccccc21 408901633 GXSYPTARSWXHRP-CPNJWEJPSA-N 376.506 5.233 30 40 GKEB CCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)cc1 408938978 LMVPMVHULOOKQJ-NKGWJLGUSA-N 394.518 6.662 30 40 GKEB CC[C@H](C)n1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)c2ccccc21 408966431 OJPATFJXCCQMKZ-REIAIGDLSA-N 389.524 5.812 30 40 GKEB Cc1cc(C)c(COc2ccc(/C=C3\Sc4ccccc4C3=O)cc2)c(C)c1 408984092 DZDLCPLDSYPLET-OYKKKHCWSA-N 386.516 6.520 30 40 GKEB FC(F)(F)C(F)(F)C(F)(F)N/N=C\c1ccc(-c2ccc(Cl)cc2)o1 409043320 YXVDGONDZYARPP-FINSYCMTSA-N 388.670 5.314 30 40 GKEB Cc1ccc(/N=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1C 409201255 KVVUXVNBSWIBIS-MXAYSNPKSA-N 384.306 6.940 30 40 GKEB Cc1ccc(/N=C/c2cc(Br)ccc2OCc2ccccc2)cc1C 409202539 RCNTXHXNJMYWCN-ZVHZXABRSA-N 394.312 6.396 30 40 GKEB C/C(=N/N=C(/C)c1ccc(C(C)(C)C)cc1N)c1ccc(C(C)(C)C)cc1N 4676089 OXIJVUIDYKHELL-USYBVIFISA-N 378.564 5.679 30 40 GKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CCc3ccccc3)c2C#N)C1 6273022 SVEHVNVCXDKNFH-KRWDZBQOSA-N 380.557 5.732 30 40 GKEB C[C@@H]1CCCC[C@H]1n1c(SCc2ccc(C#N)cc2)nnc1-c1cccnc1 8887048 IHQPLTRJXYYUOZ-OXQOHEQNSA-N 389.528 5.255 30 40 GKEB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NCc2ccc(Cl)cc2)o1 10118932 DFGAUNAOGMYAHT-AFUMVMLFSA-N 390.874 5.218 30 40 GKEB CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)ccc1O 19999795 FUOZLSXEPQEUAQ-UHFFFAOYSA-N 399.918 5.019 30 40 GKEB C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCC[C@@H]2Cc2ccco2)c1 57450921 YVEMOVATEJFKPQ-DENIHFKCSA-N 380.532 5.649 30 40 GKEB C[C@@H](/N=C/c1ccc(O)c(Cc2c(F)cccc2Cl)c1O)c1ccccc1 100092751 VRDOWJCCMQWKGX-AZRQGOPLSA-N 383.850 5.661 30 40 GKEB O=C(O/C(=N/c1ccccc1)N(c1ccccc1)c1ccccc1)c1ccccc1 104088978 LTKXZLTWJGMZOJ-CYYJNZCTSA-N 392.458 6.369 30 40 GKEB Cc1cccc(Cn2cc(/C=N/OCc3ccccc3C#N)c3ccccc32)c1 408588677 CGJAZPLGGIMPJB-JFLMPSFJSA-N 379.463 5.420 30 40 GKEB C=CCOc1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3C=CC[C@@H]32)cc1OCC 408736622 XTZFQMKMGKNCHV-STSQHVNTSA-N 391.467 5.175 30 40 GKEB Oc1ccc(Cl)cc1/C=N/c1nc(-c2ccc(C3CCCCC3)cc2)cs1 408979230 QGGZZURTKHMJTE-ZMOGYAJESA-N 396.943 6.967 30 40 GKEB CCCCCCCCCCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 2086028 GIWNXHQCBZTQGW-UHFFFAOYSA-N 378.969 6.933 30 40 GKEB O=C(C/C(=N\Nc1nc(-c2ccccc2)cs1)c1ccccc1)C(F)(F)F 4085542 FZLCOQUQMYOWAN-BUVRLJJBSA-N 389.402 5.148 30 40 GKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3cc4ccccc4oc3=O)c2C#N)C1 6323062 XVGUKPWDOMLQCM-UOKWBDCBSA-N 390.508 5.628 30 40 GKEB C=C(C)COc1ccc2c(c1CC(=C)C)c1ccnc3c4ccccc4c(=O)n2c13 8764472 MEDIWWXRPNJYND-UHFFFAOYSA-N 394.474 5.665 30 40 GKEB biogenic COc1ccccc1C(=O)/N=C1\Nc2ccccc2N=C(C)[C@H]1c1ccccc1 9305432 SGYNPVXSORBZDE-QFIPXVFZSA-N 383.451 5.236 30 40 GKEB N/C(=N\c1ccccc1)c1ccc2c(c1)c1c(n2Cc2ccccc2)CCCC1 13223166 UDEYQEDDKVUHBU-UHFFFAOYSA-N 379.507 5.605 30 40 GKEB O=C(Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O)c1ccc(Cl)cc1 13769117 XZXSIABIIUWQKW-JAIQZWGSSA-N 394.785 5.315 30 40 GKEB CC1(c2ccccc2)CC(/C(=N\O)c2cc3cc(Br)ccc3o2)C1 15230092 WWINWAZCVWUIHW-ZBJSNUHESA-N 384.273 5.742 30 40 GKEB CCCCCCC(/C=C/c1ccc(Cl)c(Cl)c1)=N/Nc1ccccc1 17106701 RNOVUSNBUXKVQU-CHVJWYBTSA-N 375.343 7.445 30 40 GKEB Clc1ccccc1/C=N/CC1CCC(C/N=C/c2ccccc2Cl)CC1 18212016 UMXZABWRYJGQFD-RYQLWAFASA-N 387.354 6.338 30 40 GKEB CCOC(=O)c1cnc2c(C#N)cccc2c1Nc1cccc(C(F)(F)F)c1 23118820 WAJQMLDDNNVXBH-UHFFFAOYSA-N 385.345 5.046 30 40 GKEB C/C(=N\N(C)c1nc(-c2ccccc2)cc(-c2ccccc2)n1)c1ccc(O)cc1 57563382 HZJWTZHSEDEERZ-MTDXEUNCSA-N 394.478 5.377 30 40 GKEB FC(F)(F)C(F)(F)C(F)(F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F 59092355 YHENNDIJPANXOC-UHFFFAOYSA-N 388.045 5.493 30 40 GKEB CCCCCCCCCCOc1ccc(/N=C/c2ccc(C(=O)O)cc2)cc1 59663878 NSPIQUFRSMGCOK-NCELDCMTSA-N 381.516 6.655 30 40 GKEB CCN(CC)S(=O)(=O)c1ccc(/N=C(\C)c2cccc3ccccc23)cc1 103435530 MEOXBMGPGYWENI-HAVVHWLPSA-N 380.513 5.011 30 40 GKEB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)c(C#N)c1 225761604 BXFSFNGYKUAZHG-QGZVFWFLSA-N 394.490 5.715 30 40 GKEB Cc1c(Cl)cccc1/N=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12 408541473 CUPCYJDXLNRNQL-BHGWPJFGSA-N 392.842 5.693 30 40 GKEB C#CCOc1ccccc1/C=N/c1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 409092505 WMWPXOZFRGAQQH-STPJHCLOSA-N 376.525 5.533 30 40 GKEB Fc1cc(/C=N/c2ccc(Nc3ccccc3)cc2)ccc1N1CCOCC1 409147193 VMBFBNFEZGYNDR-KOEQRZSOSA-N 375.447 5.157 30 40 GKEB Cc1cc2c(cc1C)N[C@@H](c1ccc(Br)cc1)C1=C(CCCC1=O)N2 4051984 KHIMHQJIJWYOSX-NRFANRHFSA-N 397.316 5.652 30 40 GKEB CCCCCOc1cccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c1 4194629 GELVGCQXWOBPDR-HNNXBMFYSA-N 382.529 5.566 30 40 GKEB O=C1N/C(=N/c2cccc3ccccc23)S/C1=C/c1ccc(Br)o1 5376732 CBHBXGGXLXEGQT-XNTDXEJSSA-N 399.269 5.087 30 40 GKEB COc1ccc([C@@H]2C[C@@H]2/C(=N/OC(=O)c2ccc(C)cc2)c2ccccc2)cc1 5540841 JAWNGGCVNXIWKM-KOYYFNRMSA-N 385.463 5.368 30 40 GKEB Cn1c(N/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)nc2ccccc21 7343362 OJOOTVSTXFWUFO-WYMPLXKRSA-N 384.361 5.298 30 40 GKEB Cc1ccc(/N=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c(C)c1 8368894 MIJLOAOMFPFUGW-XKZIYDEJSA-N 391.383 5.663 30 40 GKEB CCOC(=O)N1C/C(=C\C=C\c2ccccc2)C(=O)/C(=C/C=C/c2ccccc2)C1 12413537 NWBSQXMNQUHANJ-WPRYJJBDSA-N 399.490 5.307 30 40 GKEB COc1ccccc1CN/N=C/c1ccccc1OCc1ccccc1Cl 20761208 SBTBZVQGSYCHRR-MFKUBSTISA-N 380.875 5.051 30 40 GKEB CCCCCCCOc1nc(C)nc2c1sc1nc3c(cc12)COC(C)(C)C3 53291667 FVIBAUDVLFGHNI-UHFFFAOYSA-N 399.560 5.748 30 40 GKEB ClC12C[C@@H]3C[C@@H](C1)CC(C/N=C\c1cccc(Oc4ccccc4)c1)(C3)C2 100846420 VDBYDPWWFUICLK-GTHZVNAUSA-N 379.931 6.476 30 40 GKEB CCN1c2cc(C)c(/C=N/c3ccc(Br)cc3)cc2[C@@H](C)CC1(C)C 198104035 XIGCMLIXIJFBQV-GCMSVZMUSA-N 399.376 6.620 30 40 GKEB CCCCCCCCCCc1ccsc1[Sn](C)(C)C 224125593 IYVGSKZSIFQEFI-UHFFFAOYSA-N 387.221 5.977 30 40 GKEB C=C(C)[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO[C@@H]1c1ccc(F)cc1 257229090 FWQMOTWKVDVNRU-WOJBJXKFSA-N 389.511 5.497 30 40 GKEB Cc1ccc(NC(=O)COc2ccc(/C=N/c3ccccc3)cc2)cc1Cl 409216522 IWDJCDNMKQKECL-ZVHZXABRSA-N 378.859 5.417 30 40 GKEB CCN1C(=O)/C(=C\c2ccc(C(C)C)cc2)S/C1=N/c1ccc(OC)cc1 409241015 MVTXUIMGRAYPHC-XATRHVNRSA-N 380.513 5.443 30 40 GKEB CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(=O)C[C@@H]2c1ccccc1Cl 1080099 IKEMJRSYRNKBGK-QGZVFWFLSA-N 397.877 5.643 30 40 GKEB C/C(=N\OCc1ccc(Cl)cc1Cl)[C@H]1C[C@H]1c1ccc(C(C)C)cc1 4084774 NKJQOSOOQQJMDY-AEZZAFEZSA-N 376.327 6.813 30 40 GKEB C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)Nc1nc3ccc(Br)cc3s1)C2 6239746 KHAPYQRKWJXYCT-ADLMAVQZSA-N 391.334 5.380 30 40 GKEB O=C1CCCC2=C1[C@H](c1ccccc1)N(C(=O)c1ccco1)c1ccccc1N2 9264165 JAQCYOYOILKTFF-QHCPKHFHSA-N 384.435 5.100 30 40 GKEB C=CCSc1nnc2c3sc4nc(C(C)C)c5c(c4c3ncn12)CCCC5 13284492 GVABIOWFSKNMCA-UHFFFAOYSA-N 395.557 5.168 30 40 GKEB C[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@@H]2c1ccco1 17015518 CDCCTBKHXGWFTL-VOIUYBSRSA-N 398.462 5.346 30 40 GKEB C=C(C)Cn1c(=O)n2nc(-c3ccccc3)nc2c2c(-c3ccccc3)csc21 32102224 RVLNHTVVAUFQJA-UHFFFAOYSA-N 398.491 5.016 30 40 GKEB N#Cc1ccc(NC(=O)c2scc(-c3ccc(F)cc3)c2-n2cccc2)cc1 67245143 PKYRDMXEBGXPOT-UHFFFAOYSA-N 387.439 5.469 30 40 GKEB O=S(=O)(/N=C(/Sc1ccc(Cl)cc1)c1ccccc1)c1ccccc1 87705945 DVFZYOKIVVCGIF-XUTLUUPISA-N 387.913 5.268 30 40 GKEB Cc1cc(Br)c(/C=C/C(=O)c2ccc(Br)cc2)cc1C 95116785 VLKGQQRILYRLMT-VMPITWQZSA-N 394.106 5.725 30 40 GKEB CCCCCCCCCCOC(=O)CC(=O)OCCCCCCCCCC 100072723 BOOQKINTOVSZKZ-UHFFFAOYSA-N 384.601 6.744 30 40 GKEB CC1(C)[C@H]2CC[C@@]1(C)C(=O)/C2=C\C(\N=N\c1ccccc1)=N/Nc1ccccc1 100367060 IRSWEVIKRZNTFN-WQUDWZGWSA-N 386.499 6.148 30 40 GKEB Cc1ccc2c(c1)N/C(=C/C(=O)c1sc(-c3ccccc3)cc1C)C(=O)O2 100820645 RFKRNXRLMPNNDI-SFQUDFHCSA-N 375.449 5.130 30 40 GKEB CCOC(=O)c1ccccc1-n1c(C)cc(/C=C/C(=O)c2ccc(C)cc2)c1C 408692818 WDLIFIJVBBTAOB-CCEZHUSRSA-N 387.479 5.475 30 40 GKEB CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2cccc(C)c2C)NC1=O 409096828 KTBDSUJHTTZYIJ-WQRHYEAKSA-N 386.904 5.247 30 40 GKEB Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccccc2Cl)cc1C 409211876 KKYZFBTWFWTQBP-DHRITJCHSA-N 384.306 6.940 30 40 GKEB CCN1C(=O)/C(=C\c2c(C)[nH]c3ccccc23)S/C1=N/c1ccc(OC)cc1 409252515 SIURIFSAGLKPRN-ATAQLJSPSA-N 391.496 5.109 30 40 GKEB COc1c(Cl)cc(Cl)cc1/C=N/c1sc2c(c1C#N)CC[C@H](C)C2 799897 AFFBXBRBHIXZAQ-FAJRRQPCSA-N 379.312 5.811 30 40 GKEB COc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(C)c(Cl)c1 1411180 ABJUHDKDTPJXPZ-QOVDMSNSSA-N 382.891 5.410 30 40 GKEB O=[N+]([O-])c1ccc(/N=N/C(=N\Nc2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 4765603 CAVOFCFJPWOVKO-YMGPPEANSA-N 390.359 5.061 30 40 GKEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4C[C@@]5(C)C[C@@H]4CC(C)(C)C5)[C@H]3C[C@@H]12 5727751 VXTVLBRGOQKEPU-VQLNUFJUSA-N 385.592 5.201 30 40 GKEB CCOc1cc(/C=N/c2cccc(C)c2C)cc(Br)c1OCC 6959599 PZPLIBXCDVHXEF-CIAFOILYSA-N 376.294 5.614 30 40 GKEB CC[C@@H](C)c1ccc([C@@H]2Sc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1 7449693 QTYJQCGTHBREMA-GYCJOSAFSA-N 391.580 7.102 30 40 GKEB COc1cc(/C=N/c2ccc(C)cc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 8368701 NVLUCDHRIYLUKV-ZVHZXABRSA-N 390.439 5.550 30 40 GKEB Cc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\c1sccc1C)C2=O 13758507 SVYUCCBVNINPOD-UNOMPAQXSA-N 376.433 5.200 30 40 GKEB N#C[C@@H](C(=O)c1cccc2ccccc12)c1nc2cc(C(F)(F)F)ccc2s1 84598246 VDVBRMAHFMLSDR-INIZCTEOSA-N 396.393 5.958 30 40 GKEB COc1ccc(/C(=N/O)[C@@H](c2ccc(OC)cc2)C(Cl)(Cl)Cl)cc1 104132298 VSRPXVYUPJAQCY-MOLDEKSUSA-N 388.678 5.036 30 40 GKEB COc1cc(C)c(/C=N/c2ccc(Oc3cccc(Cl)c3)cc2)cc1OC 408549829 ZWDYHPAFWMYDFR-ZVHZXABRSA-N 381.859 6.209 30 40 GKEB C=CCOc1ccc(NC(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)cc1 408562684 FHIXNTVMOJVQOX-HKOYGPOVSA-N 385.463 5.439 30 40 GKEB Cc1cc(/C=C/C(=O)c2ccccc2)c(C)n1-c1ccccc1C(=O)OC(C)C 408621762 NRTAHEURNJZNKA-CCEZHUSRSA-N 387.479 5.555 30 40 GKEB C=CCN1C(=O)/C(=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)SC1=S 408816843 MIFBWLDMDIQLCH-UNOMPAQXSA-N 382.554 5.098 30 40 GKEB COc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4ccccc4)cc3)S2)cc1 408967258 UDTMUPTXJAYCJV-RCCKNPSSSA-N 386.476 5.254 30 40 GKEB Cc1ccc(/N=C/c2cc(Cl)ccc2OS(=O)(=O)c2ccccc2)cc1C 409213871 VMFXDAUMXRLDEN-OEAKJJBVSA-N 399.899 5.475 30 40 GKEB COc1c(Br)cc(Br)cc1/C=N/c1ccc(C)cc1C 5379854 DTWBGBDOFVRPED-DJKKODMXSA-N 397.110 5.588 30 40 GKEB CC(C)c1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 5912717 SSIMOFOAFCFFJX-KRWDZBQOSA-N 380.557 6.146 30 40 GKEB C=CCOc1ccc(/C=C2/SC(Nc3ccc(F)c(Cl)c3)=NC2=O)cc1 6856050 BFSSGZVOSGWQQC-LICLKQGHSA-N 388.851 5.126 30 40 GKEB Cn1c([C@H](C#N)C(=O)[C@@H](Sc2ccccc2)c2ccccc2)nc2ccccc21 7141510 QRPPVVILVWRKMT-XXBNENTESA-N 397.503 5.283 30 40 GKEB N#CCSc1ccccc1C(=O)Nc1ccc(-c2cc3ccccc3o2)cc1 7989925 ZPUHZJRKHMYVOW-UHFFFAOYSA-N 384.460 5.968 30 40 GKEB Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1 8371794 MEAMFFQNUAQHLG-BRJLIKDPSA-N 388.269 6.771 30 40 GKEB Clc1ccc(CN/N=C/c2ccc(-c3ccc(Br)cc3)o2)cc1 10118790 LFJMLMSZQPWVBB-WSDLNYQXSA-N 389.680 5.486 30 40 GKEB C=CCn1c(SCc2cccc(Cl)c2)nnc1[C@H](C)Oc1ccccc1 13850340 UBPWBFRJAKWHQK-HNNXBMFYSA-N 385.920 5.550 30 40 GKEB O=C1C[C@@H](c2ccc(F)cc2)S/C(=N\c2ccccc2)N1c1ccccc1 17043600 POHPXYZLFBMKPC-HNWIBAKRSA-N 376.456 5.725 30 40 GKEB CC1=C[C@@H](CC#N)[C@H](C(C)C)C[C@H]1CC(=O)NCc1ccc(C(F)(F)F)cc1 30882459 PGEHXJQIJSYLEL-HBFSDRIKSA-N 392.465 5.480 30 40 GKEB biogenic,in-vitro CCCCCCCCCCOC[C@H](O)Cn1c2ccccc2c2ccccc21 97954990 BUZIILBMPBPZSF-OAQYLSRUSA-N 381.560 6.313 30 40 GKEB CCCCCCCCCCCC[C@@H](C(=O)OCC)P(=O)(OCC)OCC 100303676 SWOHHTMHABHFNE-IBGZPJMESA-N 392.517 6.495 30 40 GKEB CCCCCCCCCCCCN(CCN(CC)CC)CCN(CC)CC 100934606 XKHMLPVTKLGHQX-UHFFFAOYSA-N 383.709 5.893 30 40 GKEB CCCCCCCCNCc1cc(Cl)ccc1OCc1ccccc1F 102561853 AMGYAMSWHNZRCI-UHFFFAOYSA-N 377.931 6.508 30 40 GKEB CCc1ccc(/N=C\c2ccc(OC(=O)c3ccc(OC)cc3)c(OC)c2)cc1 104243379 NPPYCQILHMEJSD-XYGWBWBKSA-N 389.451 5.236 30 40 GKEB CC[C@]1(C)Oc2ccccc2[C@@H]2O[C@](C)(C#CC[N+]3(C)CCCCC3)CC[C@@H]21 106588387 RMPGUSXNDYXSIL-CGBRIMPHSA-N 382.568 5.108 30 40 GKEB biogenic C=CCSc1ccccc1C(=O)Nc1ccc(C(=O)OCC)c(Cl)c1 219816474 OQPAZUKUUHFNBT-UHFFFAOYSA-N 375.877 5.047 30 40 GKEB COc1ccc(/N=C\c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)cc1 409375494 LOZUAXVDLUDPED-MYYYXRDXSA-N 388.467 5.080 30 40 GKEB Cc1cc(C)c(C)c(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1C 575242651 CLSCLEIWICWAJH-UHFFFAOYSA-N 380.250 5.571 30 40 GKEB C=C1CC[C@H](O)C/C1=C\C=C1\CCC[C@@]2(C)[C@@H]1CC[C@@H]2[C@@H](C)/C=C/[C@H](C)C(C)C 584566823 MECHNRXZTMCUDQ-VOKNCGFGSA-N 396.659 7.641 30 40 GKEB Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc2oc(-c3ccccc3)nc2c1 1054160 QBAFDXXIUBWVBP-FOKLQQMPSA-N 383.234 6.258 30 40 GKEB CCCCCCCC[N+](C)(C)Cc1cn(Cc2ccccc2)c2ccccc12 3132180 UZDXGGXRFUNSAB-UHFFFAOYSA-N 377.596 6.627 30 40 GKEB C[C@H]1CC(C)(C)Cc2c1sc(NC(=O)c1ccc(C(C)(C)C)cc1)c2C#N 3235872 HJYXRFUEJJAUMD-AWEZNQCLSA-N 380.557 6.245 30 40 GKEB CCOc1cccc2cc(-c3csc(NC(=O)c4ccc(C#N)cc4)n3)oc12 10749572 XORYHSYBMOCATR-UHFFFAOYSA-N 389.436 5.079 30 40 GKEB CCCCCCOc1ccc(/C=N/Nc2nc(-c3ccccc3)cs2)cc1 11992847 KXUITCUQERPRKR-XQNSMLJCSA-N 379.529 6.215 30 40 GKEB CO/N=C1/C=C2CC[C@H]3[C@@H]4C[C@@H]5CCCC[C@]5(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 13362219 CTVOPPAULYUILQ-BUKPCBQISA-N 397.603 6.327 30 40 GKEB C=CCn1c(SCc2ccccc2Cl)nc2c([nH]c3ccccc32)c1=O 16890324 GPIAALAVKJFFHD-UHFFFAOYSA-N 381.888 5.010 30 40 GKEB Cc1cc(C)c(C#N)c(SCC(=O)N2c3ccccc3CCc3ccccc32)n1 39551841 HFCMBTLEGIBZBN-UHFFFAOYSA-N 399.519 5.126 30 40 GKEB Cc1cc(C)cc(-n2c(C)cc(/C=N/c3cccc(Br)c3)c2C)c1 100116589 DWMMVJOQACOQQS-YDZHTSKRSA-N 381.317 6.224 30 40 GKEB CCCCCCCCCCC/C(=N\O)c1cc(C)cc(Br)c1O 100931375 UNBFBTQJHZWRJK-DYTRJAOYSA-N 384.358 6.562 30 40 GKEB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N\NC(=S)Nc3ccccc3)cc21 208473501 CWSAXLUJPOQHQS-QRVIBDJDSA-N 398.963 5.292 30 40 GKEB C=CCOc1ccc2ccccc2c1CNc1ccc(Br)cc1C 408605340 GNPAABRVDIPGKD-UHFFFAOYSA-N 382.301 6.088 30 40 GKEB C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2cccc(O)c2)S/C1=N\c1ccccc1 408862561 HGWVHFCUGGZIPY-CWCBXNBFSA-N 392.524 5.575 30 40 GKEB CCCN1C(=O)/C(=C\c2ccc(C(C)C)cc2)S/C1=N\c1ccc(C)cc1 408907325 BCJBRWWPQJARFA-NVZLDUMVSA-N 378.541 6.132 30 40 GKEB O=C(NCc1ccco1)c1c(/N=C\c2cccc(F)c2)sc2c1CCCC2 408978720 ATRWTPWCXJILIV-MSXFZWOLSA-N 382.460 5.040 30 40 GKEB Cc1cccc(C)c1-n1c(C)cc(/C=N/c2sc3c(c2C#N)CCCC3)c1C 409063271 JTHFBRNCLDNXFC-VULFUBBASA-N 387.552 6.274 30 40 GKEB COc1cccc(/C=N/c2ccccc2S)c1OCc1ccc(C(=O)O)cc1 409183784 GFUFLORUENOXHM-YDZHTSKRSA-N 393.464 5.012 30 40 GKEB Cc1ccc(/N=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1C 409220225 ZOWFQRUFFXLTHY-DHRITJCHSA-N 384.306 6.940 30 40 GKEB CC1(C)C[C@H]2C[C@](C)(CN2/C=N/c2sc3c(c2C#N)CC(C)(C)NC3(C)C)C1 2207499 KOPQVOOZGXDPKL-HTTAKTITSA-N 398.620 5.340 30 40 GKEB C=CCOc1ccccc1[C@@H]1Sc2ccccc2NC2=C1C(=O)c1ccccc12 2364598 DCFIQZGWHBBCQK-VWLOTQADSA-N 397.499 6.118 30 40 GKEB COc1ccc(-n2cnc3cc(/N=C/c4ccc(Cl)cc4Cl)ccc32)cc1 3173898 QYOQJRVPKZUSQH-WYMPLXKRSA-N 396.277 6.092 30 40 GKEB Clc1ccc(CN/C(=N\c2ccccc2)NC2CCCCC2)c(Cl)c1 5680881 RTUICAUJASLKTP-UHFFFAOYSA-N 376.331 5.693 30 40 GKEB CCOc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)cc1 6961272 GZKKHRPQYROJOS-CVKSISIWSA-N 393.914 6.685 30 40 GKEB C=CCn1c(SCc2cc(C(C)=O)ccc2OCC)nnc1C1CCCCC1 7978391 CIYQKKFSCZTWHS-UHFFFAOYSA-N 399.560 5.405 30 40 GKEB Cc1cc(C(F)(F)F)c(C#N)c(SCc2c(Cl)cccc2Cl)n1 9344202 VALCYXLMAJVXND-UHFFFAOYSA-N 377.218 5.880 30 40 GKEB C(/C=C/c1ccccc1)=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1 12375773 YAGKEZIKQLVODH-VWYBFBJGSA-N 379.507 5.073 30 40 GKEB O=C1/C(=C\c2cccc3ccccc23)CCCC/C1=C/c1cccc2ccccc12 31669919 KGAYCWQUIINRDE-DQIQZUARSA-N 388.510 7.603 30 40 GKEB C[C@H](C#N)CN(C)c1nc(-c2ccccn2)nc2sc(-c3ccccc3)cc12 32927058 GQJKBQPFVLIGRR-OAHLLOKOSA-N 385.496 5.016 30 40 GKEB Cc1ccc(Cl)cc1-c1ccc(/C=N/c2ccc(N3CCOCC3)cc2)o1 100102969 SCIAMNQLJKDEMQ-BUVRLJJBSA-N 380.875 5.496 30 40 GKEB Cc1c(Cl)cccc1/N=C/c1ccccc1OCc1ccc(C(=O)O)cc1 197606791 QXIZKRIAXUJMGZ-ZMOGYAJESA-N 379.843 5.676 30 40 GKEB Cc1cc2c(cc1/C=N/Nc1ccc([N+](=O)[O-])cc1)[C@@H](C)CC(C)(C)N2C(C)C 223587681 FRDRGMFKRQQZLD-ZZQPOVDQSA-N 394.519 5.850 30 40 GKEB O/N=C\c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1 226339528 FDIMZVCIOYAZGK-FBHDLOMBSA-N 390.664 5.643 30 40 GKEB COc1ccc2[nH]c(-c3ccccc3)c(/C=N/c3ccc4ccccc4c3)c2c1 408785768 ZAJXMMVBTSBLHN-WPWMEQJKSA-N 376.459 6.747 30 40 GKEB COc1cc2c(cc1/C=N\c1ccc(Oc3ccccc3Cl)cc1)OCO2 409066157 LXPUFMUAOVTYDF-FMCGGJTJSA-N 381.815 5.620 30 40 GKEB O=[N+]([O-])c1ccc(Cl)c(/C=N/c2ccc(Oc3cccc(Cl)c3)cc2)c1 409089699 PAJCZYBIQMTUTD-WSDLNYQXSA-N 387.222 6.445 30 40 GKEB Cc1ccc2oc(-c3ccc(/N=C/C=C/c4ccc(Cl)cc4)cc3O)nc2c1 2051959 XUTOGGQDLBCWPE-JRUCXRJDSA-N 388.854 6.578 30 40 GKEB Cc1ccc2oc(-c3ccc(C)c(/N=C/c4c(O)ccc5ccccc45)c3)nc2c1 2071794 DOLLWEPLLMZTQP-JFLMPSFJSA-N 392.458 6.721 30 40 GKEB C[C@@H](C#N)OC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccccc1)C[C@@H](C)C2 4340752 JEXWBLFHMKTLOH-RNGVDHTISA-N 382.463 5.427 30 40 GKEB O=[N+]([O-])c1cc(/C=N/c2ccc3c(c2)oc2ccccc23)ccc1N1CCCC1 4359586 HLUHVHMVNZDWIL-BUVRLJJBSA-N 385.423 5.845 30 40 GKEB Cc1nc(Nc2nc3ccccc3s2)nc(-c2ccc(Cl)cc2)c1C#N 8994669 CSZZALPQERNTFW-UHFFFAOYSA-N 377.860 5.330 30 40 GKEB Cc1cc2c(cc1C)CN(c1cccc(C(=O)/C=C/c3ccc4c(c3)OCO4)c1)C2 59503645 BTJVYXCFDRLDOW-SOFGYWHQSA-N 397.474 5.448 30 40 GKEB CCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2cccc(OC)c2)cc1 98001391 YOEMXGCNLCMOJW-UHFFFAOYSA-N 396.531 6.027 30 40 GKEB biogenic C[C@@H](C1=C(c2c(N)ccc3ccccc23)CC(C)(C)CC1=O)c1cccs1 107940012 AIMDGCWUOLKZMQ-OAHLLOKOSA-N 375.537 6.430 30 40 GKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(/N=C/c3ccccc3C)cc1)N2 253563722 FTINJCLLUCBYNR-NAUYGBTRSA-N 378.519 6.881 30 40 GKEB Cc1sc(/N=C/c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)c(C#N)c1C 408813421 QUSKJDXAELSCTF-LSFURLLWSA-N 384.844 5.599 30 40 GKEB CCCCN1C(=O)/C(=C\c2ccccc2Cl)S/C1=N\c1ccc(C)cc1 408913590 NAOLWPLICCXXJT-ZIGJTDFESA-N 384.932 6.053 30 40 GKEB C=CCn1c(C)c(/C=N\Nc2c(F)c(F)c(F)c(F)c2F)c2cc(C)ccc21 409042805 XVQTYTSGLOYBSY-WMDMUMDLSA-N 393.359 5.586 30 40 GKEB COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)cc1 780077 BHAKLMWJDKFNLD-FQEVSTJZSA-N 379.500 5.509 30 40 GKEB CC(C)(C)c1cc(Cl)c(O)c(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)c1 1496900 LVECTTOBOBOOPF-DNTJNYDQSA-N 383.231 5.361 30 40 GKEB CCCCCC[C@H](/C=N\N=C1c2ccccc2-c2ccccc21)Cc1ccccc1 5031725 HRLITXPCTNOQNH-ZYPBBJIESA-N 394.562 7.320 30 40 GKEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc4cnccc4c3)c2C)cc1 5739671 FLANMLVPHRJKOZ-CVKSISIWSA-N 383.451 5.180 30 40 GKEB Cc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccccc3)c(Cl)c2)cc1 8371892 OTCBOMVLOHAYNW-HYARGMPZSA-N 385.872 5.167 30 40 GKEB C[C@H](Nc1oc(-c2ccc(COc3ccccc3)o2)nc1C#N)c1ccccc1 8654587 LGRVWJGSDAOWFU-INIZCTEOSA-N 385.423 5.558 30 40 GKEB Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C)cc2)cc1 18159111 KZEMHAYHFISAOW-JIPXPUAJSA-N 394.518 6.283 30 40 GKEB CCOc1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 33699796 OEXMFZOGEAGXJH-UFFVCSGVSA-N 392.311 5.962 30 40 GKEB COc1cc(Cl)c(C)cc1N/C=C/C(=O)c1ccc(Br)cc1 51318605 HVDYHNXZCZULFC-BQYQJAHWSA-N 380.669 5.228 30 40 GKEB CCCCCCCn1c(/N=C(\C)c2cc(Cl)ccc2O)nc2ccccc21 100700423 XWHGOEGTVQJNQZ-LFVJCYFKSA-N 383.923 6.506 30 40 GKEB C=CCOC(=O)c1cc(Cl)c(OCc2cccc3ccccc23)c(OC)c1 226325134 MQPQTLNUKAWAHV-UHFFFAOYSA-N 382.843 5.424 30 40 GKEB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@@]2(O)C#Cc1ccccc1 245241141 XROIWEWUVSAKIJ-PDCWIZPSSA-N 390.567 5.093 30 40 GKEB C=CCOc1c(Cl)cc(CNc2ccc(Br)cc2C)cc1OC 408608109 KMLNRWPNVNXRBJ-UHFFFAOYSA-N 396.712 5.596 30 40 GKEB Cc1cc(C)c2oc(-c3ccc(NC(=O)c4ccc(C#N)cc4F)cc3)nc2c1 408628370 RXGDZFWQSNDVTO-UHFFFAOYSA-N 385.398 5.375 30 40 GKEB CCCCCCCCCNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 408708706 LEIYJQFRUIJLMS-UHFFFAOYSA-N 392.849 5.164 30 40 GKEB Cc1cccc(N=C2NC(=O)/C(=C/c3cccc(Cl)c3Cl)S2)c1C 408988043 GRXBPCVIPDIHKR-DHDCSXOGSA-N 377.296 5.502 30 40 GKEB CC1(C)Cc2c(sc(NC(=O)c3ccc4ccccc4c3)c2C#N)C(C)(C)N1 4275311 FYTOKHZWVMOLJA-UHFFFAOYSA-N 389.524 5.185 30 40 GKEB Cc1ccccc1/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 8570863 UBVJTMYIANBPOX-ZMOGYAJESA-N 398.275 6.226 30 40 GKEB COc1ccccc1CN/N=C/c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C 20762549 PDKGDCPGSCCOHM-AFUMVMLFSA-N 381.907 5.188 30 40 GKEB Cc1ccc(-c2ccc(C(=O)Nc3sc4c(c3C#N)CCCC4)o2)cc1C 33517442 GAHDTBVDKYBZSU-UHFFFAOYSA-N 376.481 5.628 30 40 GKEB O=C(N=C(Nc1ccccc1)Nc1ccccc1)c1ccc(Br)cc1 85375604 HTOPEUNXIWLMFQ-UHFFFAOYSA-N 394.272 5.170 30 40 GKEB CCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1C#N 225751013 AOBITQLYGVRWGL-UHFFFAOYSA-N 382.891 5.451 30 40 GKEB CCCOc1ccccc1/C=N\c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 408600958 HTAFRLJOGROHPF-WZJLVRHISA-N 380.557 6.310 30 40 GKEB CSc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2ccccc12 409034017 GHEMMTNZZGUEBH-NYAPKIOYSA-N 384.320 5.276 30 40 GKEB CN(C)c1ccc(/C=N\[C@H]2CCCc3c2[nH]c2ccc(Br)cc32)cc1 2075197 UMMJACWZDFKUBM-YTLMXASBSA-N 396.332 5.493 30 40 GKEB N#C/C(=N\Nc1ccccc1F)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 4175400 WGTWEMUNCJBINT-SGWCAAJKSA-N 398.466 5.956 30 40 GKEB Cc1sc(Nc2nc3ccccc3nc2N2CCCCCC2)c(C#N)c1C 4812716 AJHKKFQTEOECSO-UHFFFAOYSA-N 377.517 5.304 30 40 GKEB C#CCOc1c(Cl)cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1Cl 6295352 RPBLJOBAPXCUTD-MFKUBSTISA-N 396.273 6.548 30 40 GKEB N#Cc1cccc(C(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)c1 12775934 RBKYNFIZJNJREB-UHFFFAOYSA-N 388.279 5.165 30 40 GKEB CC[C@]1(c2ccccc2)CCCC/C1=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 17105805 DDDFWQHZAHRAMW-VZFXBBDVSA-N 382.420 5.193 30 40 GKEB CCCCCCCCCCCC(=O)Nc1sc2c(c1C(N)=O)CCCCC2 97944221 GLAQYYNGQZCUMO-UHFFFAOYSA-N 392.609 5.975 30 40 GKEB CN(C)/C=C1\C(=O)c2c(Oc3ccc(Cl)cc3)cccc2[C@H]1c1ccccc1 100255307 NNZGDVKPEFXOMU-MNJKBJKMSA-N 389.882 5.906 30 40 GKEB CCCCCCCCCCCCCCCC[C@@]1(C)OCO/C1=C\C[N+](C)(C)C 100470947 RQDSIGHZPNJXSR-TWBFQXCBSA-N 396.680 7.211 30 40 GKEB CCCCCCCCNCc1cc(Cl)ccc1OCc1ccccc1Cl 102561864 JGZFBDOAAMWWEZ-UHFFFAOYSA-N 394.386 7.023 30 40 GKEB O=C(O)c1ccc(Cl)c(/N=C/c2cccn2-c2cccc(C(F)(F)F)c2)c1 408933098 HLOWYLIUGBOCIS-BHGWPJFGSA-N 392.764 5.598 30 40 GKEB CCCCOc1ccc(/C=N\c2nc3c(s2)Cc2cc(OC)ccc2-3)cc1 409050101 YUQPZOJHMYZRLN-UCQKPKSFSA-N 378.497 5.652 30 40 GKEB CCOc1cc2c(cc1/C=N\c1ccc(Oc3ccc(C)cc3)cc1)OCO2 409098437 PWNZAVKJSMMNLC-OYKKKHCWSA-N 375.424 5.665 30 40 GKEB Cc1onc(-c2ccccc2)c1C(=O)Nc1sc2c(c1C#N)CCCCCC2 2081445 NXKOYVAULDCALT-UHFFFAOYSA-N 391.496 5.495 30 40 GKEB N#Cc1c(/N=C/c2ccc(O)c(O)c2)oc(-c2ccccc2)c1-c1ccccc1 3239281 JYRVTXRTAORPRL-CVKSISIWSA-N 380.403 5.647 30 40 GKEB CC1(C)[C@@H]2CC[C@@]1(C)C/C2=N/Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 4746643 QUCPONURMQLKQU-UBVNVDOVSA-N 394.371 6.731 30 40 GKEB CC1(C)C[C@@H]2C[C@@](C)(CN2CC#CCC(O)(c2ccccc2)c2ccccc2)C1 4837357 PBANIAXWFLATDN-AOYPEHQESA-N 387.567 5.217 30 40 GKEB Cc1ccc(/C=N/c2ccc(-c3ccc(/N=C/c4ccc(C)o4)c(C)c3)cc2C)o1 4991869 WHRKXKWPBOYSEL-DPCVLPDWSA-N 396.490 7.274 30 40 GKEB Cc1ccc(COc2ccc3c(c2)O/C(=C\C2=Cc4ccccc4OC2)C3=O)cc1 6167786 NVHSOTZVJOAZGX-MXAYSNPKSA-N 396.442 5.509 30 40 GKEB biogenic CCOc1cc(/C=N/c2cccc(Cl)c2C)ccc1OCc1ccccc1F 6961636 AYSMELVNDKEJNZ-VULFUBBASA-N 397.877 6.516 30 40 GKEB O=[N+]([O-])c1cccc(/C=N/Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1 12376960 POCJNQFLKJMDQR-LFVJCYFKSA-N 395.422 5.165 30 40 GKEB O=C(/C(=N/N=C/c1ccc(C(F)(F)F)cc1)c1ccccc1)c1ccccc1 12566377 SSAQKRFJJAUJCG-FQXBNQDOSA-N 380.369 5.412 30 40 GKEB O=C(/C=C\c1ccc(OCc2ccccc2)cc1)c1ccc(Br)cc1 17124069 GRLSDDSZURUVOB-NVNXTCNLSA-N 393.280 5.924 30 40 GKEB COc1cc(/C=C2/Cc3ccccc3C2=O)ccc1OCc1ccc(Cl)cc1 33379603 RZDRNZKYDOIDPP-UNOMPAQXSA-N 390.866 5.750 30 40 GKEB C=CCOC(=O)c1ccc(-c2cc(Cl)c(Br)cc2Cl)o1 226244395 UQZJUZPCICSPRY-UHFFFAOYSA-N 376.033 5.359 30 40 GKEB CCc1ccccc1/N=C1\S/C(=C/c2ccccc2OCC(C)C)C(=O)N1C 408914501 OBMQWZTVYLJYBR-NFEGURHZSA-N 394.540 5.518 30 40 GKEB Cc1cccc(/N=C\c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)c1 409374941 BWTSLSQSXGMTME-MXAYSNPKSA-N 396.849 5.556 30 40 GKEB Cc1ccc([C@H]2C[C@@H]2/C(=N/OCc2ccccc2F)c2ccc(F)cc2)cc1 5617845 OJHCWLGHNUBRQP-QYDMPPPVSA-N 377.434 5.998 30 40 GKEB Fc1ccc(/C=N/Nc2nc(-c3ccc(Br)cc3)cs2)cc1 5633545 LEJDAZFUGBLBKF-DJKKODMXSA-N 376.254 5.158 30 40 GKEB Cc1ccc(/N=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1 8371776 QYCMXBORFQOUIT-BRJLIKDPSA-N 388.269 6.771 30 40 GKEB CCCCCCCCCCOc1ccc(NC(=O)N2C[C@H](C)O[C@H](C)C2)cc1 8403854 DCQFZWMUONTKFL-BGYRXZFFSA-N 390.568 5.847 30 40 GKEB C=CCOc1ccc(C(=O)NCCSCc2ccc(Cl)cc2Cl)cc1 8499422 YRIURGNVYCFPSD-UHFFFAOYSA-N 396.339 5.221 30 40 GKEB CC(=O)N(c1nc(/C=C/C(=O)c2ccc(O)cc2)cs1)c1c(C)cccc1C 12927082 ZXURKOJQWKAIRX-FMIVXFBMSA-N 392.480 5.046 30 40 GKEB COc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OC(=O)c1ccccc1 18062197 VAPQJLSTGSTPPE-ZVHZXABRSA-N 379.843 5.627 30 40 GKEB O=c1oc2ccccc2c(NC2CCCC2)c1/N=C(\O)c1cccc(Cl)c1 20533777 MQGUATUBZGIFLL-UHFFFAOYSA-N 382.847 5.437 30 40 GKEB CCCCCCCCCCNC(=O)[C@H](Sc1ccccc1)c1ccccc1 97942935 XSHJYPYTGUBQSQ-HSZRJFAPSA-N 383.601 6.777 30 40 GKEB COc1ccc(/N=C/c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1Cl 198152564 YOXABLDHNSWUFC-WYMPLXKRSA-N 389.326 6.384 30 40 GKEB CC[C@@H](C)N1C(=O)/C(=C\c2ccc(C(C)C)cc2)S/C1=N\c1ccc(C)cc1 408910605 ISBOSHFOUNSFTI-VOQLGAFASA-N 392.568 6.521 30 40 GKEB Cc1ccc(/N=C/c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)cc1C 408951789 UZQPVQSYWOVFJC-WYMPLXKRSA-N 380.875 5.813 30 40 GKEB Cc1oc(/N=C/c2cn(Cc3ccccc3Cl)c3ccccc23)c(C#N)c1C 408956642 RJXZGAGCEVZKPP-RPPGKUMJSA-N 387.870 6.175 30 40 GKEB C=CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccccc1C 409342230 CUZLFTYVBWVGPT-UHFFFAOYSA-N 390.339 6.039 30 40 GKEB Cc1ccc(/N=C/c2cc(C)n(-c3sc4c(c3C(=O)O)CCCC4)c2C)cc1 409387143 UDRCJAWLWSKPHC-ZMOGYAJESA-N 392.524 5.792 30 40 GKEB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=C/c3cccs3)C[C@@H]12 1889096007 ADNXMRIHODUBNW-BBJHPEAISA-N 384.585 5.714 30 40 GKEB Cc1c(-c2ccc(/C=C3\Sc4ccccc4C3=O)o2)ccc([N+](=O)[O-])c1C 714016 MADREDXVUDKFKI-JAIQZWGSSA-N 377.421 5.801 30 40 GKEB Cc1ccc(C)c2nc(SCC(=O)Nc3ccccc3Cl)c(C#N)cc12 1223958 YGNHYADBNBYDDH-UHFFFAOYSA-N 381.888 5.108 30 40 GKEB N#Cc1c(SCc2ccc(F)cc2)nsc1SCc1ccc(F)cc1 2190308 FRGZYJPUULSSCZ-UHFFFAOYSA-N 390.505 5.878 30 40 GKEB CCOC(=O)c1sc2c(c1C)[C@@H](c1ccccc1)C1=C(CC(C)(C)CC1=O)N2 4948556 IUVKXIHZVQAMMP-GOSISDBHSA-N 395.524 5.434 30 40 GKEB COc1ccc(CCN=C(c2ccc(F)cc2)c2ccc(F)cc2)cc1OC 6170740 FMFWMFHPZSJNHF-UHFFFAOYSA-N 381.422 5.062 30 40 GKEB Cc1ccc(/N=C/c2c(OCc3cccc(F)c3)ccc3ccccc23)c(C)c1 8368469 QLKFTSPHIOCUAT-LQKURTRISA-N 383.466 6.925 30 40 GKEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(C)cc2)C[C@@H]1c1ccc(Cl)c(F)c1 97105043 PPBRODYKQVLJPV-UTKZUKDTSA-N 386.850 5.107 30 40 GKEB C=CCN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(SC)cc1 224981663 BDJIBMIQSSNFAK-UHFFFAOYSA-N 388.341 5.097 30 40 GKEB C[C@@H]1C/C(=C/c2cccc3ccccc23)C(=O)/C(=C/c2cccc3ccccc23)C1 245237347 KNBJEGHCMCXVDN-FNBJNCIJSA-N 388.510 7.459 30 40 GKEB CCCCN1C(=O)/C(=C\c2ccc(O)c(OC)c2)S/C1=N\c1ccc(C)cc1 408916019 SYJXBFHFLCCDBA-QNQNADBQSA-N 396.512 5.113 30 40 GKEB COc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCc1cccc(Cl)c1 409214589 WGUOOTWMVPOCHV-AFUMVMLFSA-N 379.887 6.295 30 40 GKEB Cc1ccc(-c2ccc(/C=N\c3ccc(N(C)C)cc3)o2)c(Br)c1 409246095 DUKHVMJRTSXIHK-XKZIYDEJSA-N 383.289 5.834 30 40 GKEB COc1cc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)ccc1O 796457 FXBPFRDRRMKPKU-QHCPKHFHSA-N 392.499 5.240 30 40 GKEB CCCN(CCC)/C(=N/c1ccccc1)NCc1cccc(C(F)(F)F)c1 4091402 BLAZSCPZJDHYTJ-UHFFFAOYSA-N 377.454 5.605 30 40 GKEB Cc1ccc(N/N=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 4175333 JEMPBPCJIIXYER-LFVJCYFKSA-N 387.295 5.765 30 40 GKEB O=C1/C(=C/c2ccc(OC(F)F)cc2)CC/C1=C\c1ccc(OC(F)F)cc1 6221073 TVFGKWKGQNFDIA-JOBJLJCHSA-N 392.348 5.719 30 40 GKEB Cc1cc(Nc2cccc(NC(=O)C(C)C)c2)n2c(nc3ccccc32)c1C#N 6953431 CCOBPJFZHFMGQW-UHFFFAOYSA-N 383.455 5.006 30 40 GKEB C=CCn1c(SCc2cc(C)on2)nnc1-c1ccc(Cl)cc1Cl 7836076 AYSPJAYUGJDBCE-UHFFFAOYSA-N 381.288 5.027 30 40 GKEB N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 9950303 IGCKXMYOAQHBQH-UHFFFAOYSA-N 396.446 5.519 30 40 GKEB C=CCOc1ccc(NC(=O)c2ccccc2SCc2ccccc2)cc1 10338032 QVDDMGRHOWROKF-UHFFFAOYSA-N 375.493 5.796 30 40 GKEB COc1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 12420248 HLTRECGCSIBKCT-BLOQEJBCSA-N 386.476 5.504 30 40 GKEB C/C(=N\Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1)c1ccc(F)cc1 13303314 TWNCWYDLIUEASC-OGLMXYFKSA-N 382.442 5.786 30 40 GKEB CN(C)c1ccc(/C=C(\C(=O)c2ccc(Cl)cc2Cl)n2ccnc2)cc1 13801140 CCDHKARHFUVBEA-YBFXNURJSA-N 386.282 5.137 30 40 GKEB CCCCOc1ccc(C(=O)O/N=C(/C)c2ccc3c(c2)Cc2ccccc2-3)cc1 44790628 DMDNRZSOIARPKV-IMRQLAEWSA-N 399.490 6.018 30 40 GKEB FC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1n[nH]c(-c2ccccc2)c1Cl 95671235 LDRHDLMYEKTWEA-UHFFFAOYSA-N 396.640 5.655 30 40 GKEB CC1(C)CC(=O)C(C(C2=C(O)CC(C)(C)CC2=O)c2ccccc2F)=C(O)C1 96186652 HXOJVIYKTFZXFL-UHFFFAOYSA-N 386.463 5.312 30 40 GKEB C=CCc1cc(C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)ccc1OC 218658034 WOHPAJTZOPBLTE-RTBURBONSA-N 392.543 5.151 30 40 GKEB Cc1cccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1C 408629255 SMEWYVSKFQPIJX-MRXNPFEDSA-N 396.556 5.405 30 40 GKEB CCC[C@@H]1S/C(=N/N=C/c2ccco2)N(Cc2cccc3ccccc23)C1=O 4898492 PWVKRDRWQVOXOX-PPPMLJSVSA-N 391.496 5.067 30 40 GKEB CC(C)c1ccc(-c2nc(C(=O)Nc3ccc(OCC#N)cc3)cs2)cc1 13015386 TUCRFYBHWIOBKA-UHFFFAOYSA-N 377.469 5.088 30 40 GKEB c1ccc([C@@]23c4ccccc4/C(=N/C4CCCCC4)[C@@H]2N3C2CCCCC2)cc1 36507540 SHSOKWPHFHWYHE-UMQNFNALSA-N 384.567 6.083 30 40 GKEB CCCCCCCCCCOc1ccc(/N=C/c2ccc(C(=O)O)cc2)c(C)c1 59663964 XBAZONCMWUSGQP-LGUFXXKBSA-N 395.543 6.963 30 40 GKEB CCCCCCCCOC(=O)[C@H]1CC=CC[C@@H]1C(=O)OCCCCCCCC 100744144 WWNWIBTTWTVLMZ-VXKWHMMOSA-N 394.596 6.376 30 40 GKEB CCCCCCCCCCCCCC[N+](C)(C)CCOCCOCCCC 100925716 BKGLYWYBLVPTMN-UHFFFAOYSA-N 386.685 6.597 30 40 GKEB CCCc1c/c(=N\c2ccc(N(CC)CC)cc2)n2c([nH]c3ccccc32)c1C#N 102857099 AGTQLIXUHXKSPA-SOYKGTTHSA-N 397.526 5.323 30 40 GKEB C=C1[C@H]2C[C@@H](C(=C(c3ccccc3)c3ccccc3)[C@@H]2c2ccccc2)C1(C)C 103210556 KERZPJNYRQANFB-CMTIAEDTSA-N 376.543 7.504 30 40 GKEB C=CCN(c1ccc(Cl)cc1C)S(=O)(=O)c1cc(Cl)ccc1Cl 224934769 MLPXLBCTYIDPEE-UHFFFAOYSA-N 390.719 5.337 30 40 GKEB CC(C)Oc1ccccc1/C=N/c1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 409089093 HEYCQFAJWNQLRD-YSGZUTGPSA-N 380.557 6.309 30 40 GKEB Cc1cc(C)nc(Sc2ccc(/C=N\c3cccc(Cl)c3)cc2[N+](=O)[O-])n1 409121677 ZBJVJRWAQUKVFZ-NHDPSOOVSA-N 398.875 5.557 30 40 GKEB Cc1ccc(-c2ccc(/C=N/c3oc(C)c(C)c3C#N)o2)cc1Br 409160908 KHCMTYJIMISTRV-LSHDLFTRSA-N 383.245 5.850 30 40 GKEB CCN1C(=O)/C(=C\c2cc(C)n(C(C)(C)C)c2C)S/C1=N/c1ccc(F)cc1 409230360 CGHNSHOYQUTNNW-SIEMAEAWSA-N 399.535 5.623 30 40 GKEB CCOC(=O)c1sc(NC(=O)c2ccc(-c3ccccc3)cc2)c(C#N)c1C 1965038 VNRFDSOMEFEKBD-UHFFFAOYSA-N 390.464 5.024 30 40 GKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3)c2C#N)C1 2742394 XUXSZQIQNGLJAX-AWEZNQCLSA-N 386.948 6.067 30 40 GKEB COc1ccccc1Sc1ncc(-c2cccc(C(F)(F)F)c2)cc1C#N 3133681 PSADMDQXZYOOLX-UHFFFAOYSA-N 386.398 5.799 30 40 GKEB C1=C/C(=N\C2CCCCC2)C=C2C1=N[C@@]13CCCC[C@H]1CC1=C(CCCC1)N23 4728782 SVPQRBCSONEAHF-YXIOMOKYSA-N 375.560 6.089 30 40 GKEB CCCC[C@@H]1S/C(=N\N=C\c2cccs2)N(Cc2ccccc2C)C1=O 5093467 ISUKVHSUZDVZOS-MXWPMSCXSA-N 385.558 5.081 30 40 GKEB O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 8715660 XBXQQIWNHKVBRI-HXUWFJFHSA-N 395.886 5.251 30 40 GKEB CCOc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1cc(C)cc(C)c1 12406436 JMDPGTJRNZEJOP-WDGPBFJASA-N 376.500 5.455 30 40 GKEB Cc1cccc(CN2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)c1 15826370 IZRNYTAMOWTTNQ-VWLOTQADSA-N 384.479 5.769 30 40 GKEB CCCCCCCCCC(=O)O[C@H](COCc1ccccc1)CN(CC)CC 97949717 NDRGPOICSVSCAZ-QHCPKHFHSA-N 391.596 5.598 30 40 GKEB O=C(/C=C/C=C/c1ccccc1)C(C(=O)c1ccccc1)=C1SCCCS1 101510533 VFYROLLZNLLCGK-KJZHCDIESA-N 392.545 5.790 30 40 GKEB CC1=CC(C)(C)N(C)c2cc(C)c(/C=N/c3ccc(Oc4ccccc4)cc3)cc21 198150963 WUWKREIWYKJIEI-MTDXEUNCSA-N 396.534 7.170 30 40 GKEB CC(C)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cc1C#N 225765738 ZWSRTNZMBSSUQJ-UHFFFAOYSA-N 396.918 5.839 30 40 GKEB COc1ccccc1/N=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 408800109 KNQNUNXYKILDTE-OYKKKHCWSA-N 394.858 5.117 30 40 GKEB Cc1cc(N2CCCC2)ccc1/C=N/c1ccc(-c2cc3ccccc3o2)cc1 408961644 UIPWHRBIVHRESP-OVVQPSECSA-N 380.491 6.759 30 40 GKEB CCN1C(=O)/C(=C/c2ccc(-c3cccc(F)c3)o2)SC1=Nc1ccccc1 409015608 OPOMUWJOCDUBSW-OMSSWJLUSA-N 392.455 5.710 30 40 GKEB CC[C@H](C)c1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)s2)cc1 409015694 DGHCEOFGFMWSMS-FVQJWRHTSA-N 385.985 7.817 30 40 GKEB CCn1c(C)cc(/C=C2\SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)c1C 409075659 ZRMZSOLPMAPMFG-PXNMLYILSA-N 394.327 5.323 30 40 GKEB CCOc1ccc(-n2c(C)cc(/C=N\c3cccc(Cl)c3Cl)c2C)cc1 409187877 VJVCAAQRQZKULO-CFRMEGHHSA-N 387.310 6.550 30 40 GKEB Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/c3cc(C)ccc3C)cc2)cc1 409214281 SBUZQHFEYDYRTK-HZHRSRAPSA-N 379.481 5.130 30 40 GKEB O=C(c1ccc(C(F)(F)F)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575242635 BLSHOBLBCXZOJO-UHFFFAOYSA-N 392.139 5.356 30 40 GKEB O=C1CC(c2ccccc2)CC(=O)C1=CNc1ccccc1Oc1ccccc1 650233 CKFKZNWLKCOMLU-UHFFFAOYSA-N 383.447 5.491 30 40 GKEB C=CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc(Cl)cc(Cl)c1 4001987 VMSVFCSSKICMTA-UHFFFAOYSA-N 388.216 5.841 30 40 GKEB C/C(=N\Nc1ncnc2sc3c(c12)CCCC3)c1ccc(-c2ccccc2)cc1 5269569 NEHSUKXBOIRTPY-JVWAILMASA-N 398.535 6.073 30 40 GKEB N#CCCn1nc(-c2ccccc2)c2c1Nc1ccccc1N[C@@H]2c1cccnc1 7778764 DOSBQOVSAZMDHO-JOCHJYFZSA-N 392.466 5.117 30 40 GKEB O/C(=N\c1ccc(Cl)cc1F)c1nccnc1-c1nc2ccccc2s1 7920083 WGOCVPDAITXMRB-UHFFFAOYSA-N 384.823 5.182 30 40 GKEB Cc1cccc(/C=N/c2ccc3oc(-c4ccc5ccccc5c4)nc3c2)c1O 15938478 URXAHYOQAWYPDC-CVKSISIWSA-N 378.431 6.413 30 40 GKEB O=C(/C=C\c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12)c1ccc(Cl)cc1 95934592 FJAQAXXWNWGELR-YPKPFQOOSA-N 392.285 7.038 30 40 GKEB Cc1oc(/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)c(C#N)c1C 408590197 OADWDXWWYKRYQW-FOKLQQMPSA-N 396.288 5.689 30 40 GKEB CC/N=C1/S/C(=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)C(=O)N1CC 408928356 AHZYDPRNDDCRLW-SAPPFYIZSA-N 381.545 5.023 30 40 GKEB Cc1cc(C)cc(N=C2NC(=O)/C(=C/c3ccc(N4CCCCC4)cc3)S2)c1 408961751 VEMQYXCSMMBWIZ-QNGOZBTKSA-N 391.540 5.185 30 40 GKEB Cc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)s1 409076410 BEYWMBGIIRMDAM-PZDISWOBSA-N 390.961 5.970 30 40 GKEB O=C1C2=C(Nc3ccccc3S[C@H]2c2ccc([N+](=O)[O-])cc2)c2ccccc21 2200682 DYBGTOGVAYUSGH-QFIPXVFZSA-N 386.432 5.461 30 40 GKEB O=C(COc1ccc(Cl)cc1Cl)ON=C1c2ccccc2-c2ccccc21 3042451 QZPKFOFDKNOAQL-UHFFFAOYSA-N 398.245 5.348 30 40 GKEB CCCCCCCC(=O)N[C@H](Oc1ccc(OC)cc1)C(Cl)(Cl)Cl 3106849 RHLATCIAXTYWHF-MRXNPFEDSA-N 396.742 5.247 30 40 GKEB C(=N/c1ccc2ccccc2c1)\c1cccc(/C=N/c2ccc3ccccc3c2)c1 3150471 FDIDNXOAUQIKIS-CZYCKNNWSA-N 384.482 7.494 30 40 GKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@@H]2c1ccc2c(c1)OCO2 4036867 UDCFQKNUOXREII-QFIPXVFZSA-N 398.462 5.164 30 40 GKEB C=C(C)CSc1nc2c(c(=O)n1CC(=C)C)C1(CCCC1)Cc1ccccc1-2 4784884 ZWDJKHKDPAPZOP-UHFFFAOYSA-N 392.568 5.523 30 40 GKEB biogenic C[C@H](Oc1ccc(-c2ccc(C#N)cc2)cc1)C(=O)C12CC3CC(CC(C3)C1)C2 6087688 HJQVWAADMBIHEZ-MPVQEXEOSA-N 385.507 5.778 30 40 GKEB C/C(=N\N=c1\[nH]c(-c2ccc(Cl)cc2Cl)cs1)c1ccccc1O 17209268 CWNFZKXEFULUNT-UFFVCSGVSA-N 378.284 5.081 30 40 GKEB C=CCn1c(SCc2cc(-c3ccccc3OC)no2)nc2ccccc21 24982002 AUJIQNDEAJZRDR-UHFFFAOYSA-N 377.469 5.178 30 40 GKEB CCc1cccc(C)c1NC(=O)CSc1nc2cc(C)c(C)cc2cc1C#N 34791502 JDRHCVYYTFUOJY-UHFFFAOYSA-N 389.524 5.325 30 40 GKEB CCCCOc1ccc(C(=O)O/N=C(/Cc2ccccc2)c2cccs2)cc1 45221810 OIFNYBXRQKPMDQ-FLFQWRMESA-N 393.508 5.731 30 40 GKEB CCCCCCCCCCOc1ccc(NC(=O)Nc2cccc(F)c2)cc1 100034603 XCGGIKGGLKQABI-UHFFFAOYSA-N 386.511 6.989 30 40 GKEB Cc1cc(/C=N/c2ccc(C(C)(C)C)cc2)c(C)n1-c1cccc([N+](=O)[O-])c1 100116727 ZNYNMIVXYXPGDA-BUVRLJJBSA-N 375.472 6.050 30 40 GKEB CC1(C)C[C@](C)(c2ccccc2)c2cccc3c2N1C(=O)/C3=N/c1ccc(O)cc1 100117618 TYWDNPGOYRSKMZ-OOVQCZTNSA-N 396.490 5.348 30 40 GKEB FC(F)Oc1ccc(Br)cc1/C=N/c1cccc2ccccc12 102940114 DYBRBIIKPDIIJF-SSDVNMTOSA-N 376.200 5.954 30 40 GKEB O=C(/N=C(\N=C(/c1ccccc1)N1CCCCC1)c1ccccc1)c1ccccc1 104210660 SYIHPIKZKVSORJ-ICDOYBSHSA-N 395.506 5.206 30 40 GKEB CCN1C(=O)/C(=C\c2ccc(OC)cc2C)S/C1=N\c1c(C)cccc1C 408906015 AEWHEVCOORRHOL-NMSSZPRHSA-N 380.513 5.244 30 40 GKEB C=CCc1cc(-c2nc(O)c3c4c(sc3n2)CCCCC4)cc(OCC)c1O 409000771 XUVFWLRYVFYMFH-UHFFFAOYSA-N 396.512 5.166 30 40 GKEB Cc1ccc(C(=O)O)cc1/N=C\c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O 409077029 CQSOZXXUUMFVEP-WGARJPEWSA-N 389.495 5.617 30 40 GKEB O=C(/C=C/Nc1ccc(Nc2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 409178730 OAXGQBDTQKLTHH-FMQUCBEESA-N 390.486 6.906 30 40 GKEB F/C(=C/CC(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575330450 NJQBIJBXMRNULH-HNQUOIGGSA-N 396.093 5.896 30 40 GKEB Cc1cc(/C=N/c2cc(Cl)cc(Cl)c2)c(C)n1-c1cccc([N+](=O)[O-])c1 843435 BSWYUSQXTVOELM-SSDVNMTOSA-N 388.254 6.060 30 40 GKEB CCNC(=O)/C=C/CCC#Cc1ccc(-c2ccc(-c3cccs3)s2)s1 1635020 MJQKFFOBZMKGQM-UXBLZVDNSA-N 397.590 6.029 30 40 GKEB N#Cc1c(SCc2ccccc2Cl)nc(-c2ccccc2)c2c1CCCC2 2303096 LPNXNNDGCDOEGZ-UHFFFAOYSA-N 390.939 6.445 30 40 GKEB N#C/C(=N\Nc1ccc(F)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 4175425 SVVDXVKIYZXQPT-BUVRLJJBSA-N 391.258 5.596 30 40 GKEB Cc1sc2ncnc(N/N=C/c3ccc(OCc4ccccc4)cc3)c2c1C 4679522 BBHYJAMFHISEKF-BRJLIKDPSA-N 388.496 5.333 30 40 GKEB Cc1ccc(NC(=O)CSc2nc3c(C)cc(C)cc3cc2C#N)c(C)c1 4849153 HVTYEWBIRSQQKK-UHFFFAOYSA-N 375.497 5.071 30 40 GKEB N#CCCn1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c2ccccc21 6506908 BIYQUXBCGPXFAH-UHFFFAOYSA-N 388.474 6.279 30 40 GKEB C=CCn1c(S[C@@H](C)c2nnc(-c3ccccc3)o2)nnc1C1CCCCC1 7833447 AMTAKRYOMDPCPT-HNNXBMFYSA-N 395.532 5.415 30 40 GKEB Clc1cccc(Cl)c1CN/N=C/c1ccccc1OCc1ccccc1 9194965 ZPWXJYIYXIJWSD-ZMOGYAJESA-N 385.294 5.696 30 40 GKEB Cc1cccc(C)c1/N=C1\N=C(S)N(c2ccccc2)[C@@]12CCOC(C)(C)C2 17138317 XOQWQVNJXRZWGS-HSZRJFAPSA-N 393.556 5.467 30 40 GKEB C/C(=N/c1c(Cl)c(Cl)c2c(c1Cl)C(=O)c1cc(Cl)ccc1-2)NO 17429281 XLETYAJZBVWNAH-UHFFFAOYSA-N 390.053 5.540 30 40 GKEB COc1ccc(C)cc1Nc1nc(SC)nc(-c2ccc(C)cc2)c1C#N 19820659 YMNYCWRIRMSDQE-UHFFFAOYSA-N 376.485 5.106 30 40 GKEB O=c1oc2ccccc2c(NCc2ccccc2)c1/N=C(\O)c1cccc(F)c1 28049067 HDGSCPGVFMAKIK-UHFFFAOYSA-N 388.398 5.181 30 40 GKEB Cc1c(/N=C\C=C\c2ccccc2[N+](=O)[O-])cccc1-c1nc2ccccc2o1 59364352 SGQXIGCIYIHTPF-WHLMABLVSA-N 383.407 6.127 30 40 GKEB Cc1cccc(C(=O)Nc2ccc(/N=C/c3cc(Cl)cc(Cl)c3O)cc2)c1 100507117 WMBLUAFVEWHDDW-WYMPLXKRSA-N 399.277 6.010 30 40 GKEB CCn1c2ccccc2c2cc(/N=C/c3cccc(Oc4ccccc4)c3)ccc21 102957298 KLXCLWGRHRRWJD-TURZUDJPSA-N 390.486 7.357 30 40 GKEB Cc1cc(/C=N/Nc2nc3ccccc3[nH]2)c(C)n1-c1cccc2ccccc12 408591262 SKGZVEANNCYHPV-MFKUBSTISA-N 379.467 5.570 30 40 GKEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(OC)c4ccccc34)S2)cc1 408761888 IEJRYVGTOXHVIS-STZFKDTASA-N 388.492 5.302 30 40 GKEB Cc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1C 409209456 BSMHNBBXPNZFKT-DHRITJCHSA-N 384.306 6.940 30 40 GKEB COc1ccc(/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1Cl 409242814 PEQBFCDWIZZKDJ-WGARJPEWSA-N 392.861 6.241 30 40 GKEB Cc1cc(C#N)cnc1-c1nc(-c2ccc(Oc3ccccc3F)c(F)c2)no1 577609448 UXXNJOBDBCVANA-UHFFFAOYSA-N 390.349 5.049 30 40 GKEB COc1ccc(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c(OC)c1 1444727 AJMNJTHJWSKXTC-SRZZPIQSSA-N 386.791 5.276 30 40 GKEB N#Cc1c(Cl)nc(N/N=C/c2ccc(Cl)cc2Cl)c(Cl)c1Cl 4481785 ZGPYOLWZXZWDDE-DENHBWNVSA-N 394.476 5.666 30 40 GKEB CCCCOC(=O)c1ccc(-c2ccc(/C=C/C(=O)c3ccc(C)cc3)o2)cc1 4524023 MKFSKHJABLKFOI-FYWRMAATSA-N 388.463 6.108 30 40 GKEB COc1ccc(Nc2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)cc1 4674074 YBFKCMDDPCXARH-UHFFFAOYSA-N 377.447 6.039 30 40 GKEB C/C(=N\Nc1cc(Cl)nc(-c2ccccc2)n1)c1ccc(Cl)c(Cl)c1 4713173 NCCPBBZMFSLNHB-BHGWPJFGSA-N 391.689 5.940 30 40 GKEB CC1=C[C@H]2C(C)(C)CC(=O)C[C@]2(C)C[C@@H]1COc1ccc2c(c1)CC(=O)C=C2 5427244 FJQNHXDZOCYVOZ-VPHKFGTKSA-N 378.512 5.182 30 40 GKEB CC1(C)CC(=O)C(C(Cc2ccccc2)C2=C(O)CC(C)(C)CC2=O)=C(O)C1 5464792 JOQVOEQOOCOHBY-UHFFFAOYSA-N 382.500 5.248 30 40 GKEB Cn1cc(/C=C2/S/C(=N\c3ccc4ccccc4c3)NC2=O)c2ccccc21 8417810 HJDGNCANBSIOBS-FYJGNVAPSA-N 383.476 5.223 30 40 GKEB COc1ccc(Cl)cc1Nc1nc(SC)nc(-c2ccc(C)cc2)c1C#N 19820745 MVZBGCYHCZQQFP-UHFFFAOYSA-N 396.903 5.451 30 40 GKEB C/C(=N\N1CCN(Cc2ccccc2Cl)CC1)c1ccc(Cl)c(Cl)c1 19835467 OUBIELZXZQQUJV-OEAKJJBVSA-N 396.749 5.189 30 40 GKEB Cc1c(/C=C2/S/C(=N\c3cccc(Cl)c3)NC2=O)c2ccccc2n1C 59249059 YCFXHNHTRNAIRW-WOJGMQOQSA-N 381.888 5.032 30 40 GKEB N#Cc1c(NC(=O)CSc2ccc3ccccc3c2)sc2c1CCCC2 71234526 SLEVBDCYIBSKRB-UHFFFAOYSA-N 378.522 5.383 30 40 GKEB N#CCCSc1ccccc1NC(=O)CCCCc1nc2ccccc2s1 95953518 UPKXJNSZEHWAHU-UHFFFAOYSA-N 395.553 5.654 30 40 GKEB CCn1nccc1/C=C1\C[C@@H]2[C@H]3CC[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@]2(C)C1=O 98087380 LWLNXMRZXSNPHH-GCPVRLOQSA-N 380.576 5.898 30 40 GKEB FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ccccc1 103532276 CDMCLELUDINUDU-UHFFFAOYSA-N 396.146 5.882 30 40 GKEB in-vitro C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@H]2OC(=O)CCC1CCCC1 253618103 REWKEGSQGOSEES-KTPHIEJFSA-N 398.587 6.010 30 40 GKEB Cc1cc(/N=C/c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)ccc1F 408540688 AYKLRWIYXJNVJM-BHGWPJFGSA-N 376.387 5.179 30 40 GKEB C#CCOc1ccc(CNc2ccc(Br)c(Cl)c2)cc1Cl 408555456 FYPXXHOJNAZACE-UHFFFAOYSA-N 385.088 5.380 30 40 GKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc4ccccc4c3)c2C#N)C1 408628835 CTRLPHNLMWSVLL-GOSISDBHSA-N 388.536 6.176 30 40 GKEB Cc1ccc(C(=O)/C=C/c2ccc(OCc3cccc4ccccc34)cc2)cc1 408691893 WPBVQKZQQFPJTM-QGOAFFKASA-N 378.471 6.623 30 40 GKEB O=C(Oc1cccc(/C=N/Cc2ccco2)c1)c1sc2ccccc2c1Cl 408719128 GPOGQZCDQUKFDE-FSJBWODESA-N 395.867 5.986 30 40 GKEB Cc1sc(/N=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)c(C#N)c1C 408831449 ZQEZFWUCWGIQIA-RPPGKUMJSA-N 387.483 6.129 30 40 GKEB C=CCOc1c(Br)cc(CNc2ccccc2CC)cc1OC 409120239 YUKFMKDXXIORJY-UHFFFAOYSA-N 376.294 5.197 30 40 GKEB CCOc1ccc(-n2c(C)cc(/C=N/c3ccc(C(=O)O)cc3C)c2C)cc1 409186952 KCGAHBYEJFDKPC-ZVHZXABRSA-N 376.456 5.250 30 40 GKEB CN(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccco2)cc1 4973590 UMIYXWUXIGYUBO-NSYGIPOTSA-N 399.494 5.325 30 40 GKEB COc1ccc([C@H]2C[C@@H]2/C(=N/OC(=O)c2ccc(C)cc2)c2ccccc2)cc1 5540834 JAWNGGCVNXIWKM-NOBPMBFOSA-N 385.463 5.368 30 40 GKEB C=CCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nc(-c2ccccc2)cs1 7166472 VYUYWXOLWXAWOU-UHFFFAOYSA-N 388.414 5.662 30 40 GKEB Cc1ccc2nc(C)c(C(=O)/C=C/c3ccc(F)cc3)c(-c3ccccc3)c2c1 36393673 QTRLRGCYEWCRPG-RVDMUPIBSA-N 381.450 6.554 30 40 GKEB Cc1cc(C(F)(F)F)c(C#N)c(SCc2coc(-c3cccs3)n2)n1 36774899 VCJRTAZLZBYOOO-UHFFFAOYSA-N 381.404 5.289 30 40 GKEB C=CCn1c(-c2ccc(Cl)cc2Cl)csc1=Nc1cccc(O)c1 254765434 QEEINGJDHFMOSF-UHFFFAOYSA-N 377.296 5.647 30 40 GKEB Cc1ccccc1-n1c(C)cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c1C 409035099 IUWDXIWBSCUKIY-MWYAZZEHSA-N 395.322 5.116 30 40 GKEB C=CCc1cc(CNc2ccccc2)cc(OC)c1OCc1cccc(Cl)c1 409115427 RPHBTWGZPXBGBE-UHFFFAOYSA-N 393.914 6.268 30 40 GKEB Fc1cccc(COc2ccc(/C=N/c3ccccc3)cc2Br)c1 409199370 CODHTPITMHBIFT-YDZHTSKRSA-N 384.248 5.918 30 40 GKEB Cc1ccc(COc2ccc(/C=N/c3cc(Cl)ccc3C)cc2Cl)cc1 409217031 NITXFWSCGPIYEC-DHRITJCHSA-N 384.306 6.940 30 40 GKEB Cc1ccc(-c2ccc(/C=N\c3ccc(C(C)(C)C)cc3)o2)c(Br)c1 409223280 FCQIGTWASULDQB-OYKKKHCWSA-N 396.328 7.066 30 40 GKEB Cc1ccc(C)c(/N=C/c2c(O)c(C(C)(C)C)cc3oc4c(c23)CCCC4)c1 1815720 KKEGJHWIFXRUBC-VULFUBBASA-N 375.512 6.682 30 40 GKEB Cc1cccc(NC(=O)CSc2nc(-c3cccs3)ccc2C#N)c1C 2270077 LROQMVDJLABLQK-UHFFFAOYSA-N 379.510 5.029 30 40 GKEB O=C1/C(=C/c2cccnc2)Oc2cc(OCc3c(F)cccc3Cl)ccc21 5249747 ZEELHQNIHVPIFN-UKWGHVSLSA-N 381.790 5.069 30 40 GKEB N#Cc1ccccc1-c1ccccc1C(=O)NCCCn1ccc2ccccc21 8190315 ZHBOKVJYSKMPNP-UHFFFAOYSA-N 379.463 5.000 30 40 GKEB COc1ccc(/C=C\C(=O)Oc2ccc(/C=C\C(=O)c3ccccc3)cc2)cc1 13406608 FXZNENPOJIKRBN-WHYMJUELSA-N 384.431 5.210 30 40 GKEB N#Cc1nc(-c2cccc3ccccc23)oc1NC[C@H]1CCCN2CCCC[C@@H]12 32624757 INGZDDJORYCRCL-GCJKJVERSA-N 386.499 5.043 30 40 GKEB biogenic Cc1ccc(C)c(OCc2ccc(-c3nc(C#N)c(N4CCC[C@H](C)C4)o3)o2)c1 33027157 BHIDLTOTRWFAJX-INIZCTEOSA-N 391.471 5.238 30 40 GKEB CCCCCCCCCCCn1c(COc2ccccc2)nc2ccccc21 100231691 OEFYVGOFLFBOFF-UHFFFAOYSA-N 378.560 7.146 30 40 GKEB CCCCCCCCCCCCCCCC(=O)OCCOCC[N+](C)(C)C 100925749 UUVYZFJFBITZCI-UHFFFAOYSA-N 386.641 5.734 30 40 GKEB C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@@]43C)N2C1 122614333 XRXKXXULHUCVCA-OGMJMOSOSA-N 395.631 5.863 30 40 GKEB N#Cc1ccccc1NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 408620700 IXINQCYCQLCTFO-JXMROGBWSA-N 383.234 5.777 30 40 GKEB Cc1cc(/C=N\c2ccc3c(c2)OCO3)c(C)n1-c1ccc(Br)cc1 408778187 QJUYRGIPGWVZMR-JJFYIABZSA-N 397.272 5.336 30 40 GKEB CN1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2)SC1=Nc1cccc(F)c1 408960683 NTIXLPVBOUUBCL-OMSSWJLUSA-N 395.503 5.050 30 40 GKEB C=CCc1cc(CNc2cccc(C)c2)cc(OC)c1OCc1ccccc1F 409119698 SRHSTOYEDPVPEX-UHFFFAOYSA-N 391.486 6.062 30 40 GKEB CCOC(=O)CSc1nc(-c2cccs2)cc(-c2ccc(F)cc2)c1C#N 705851 VEKSCWJZSAVBIB-UHFFFAOYSA-N 398.484 5.143 30 40 GKEB COc1ccc(NC2=C(Sc3ccccc3)C(=O)c3ccccc3C2=O)cc1 1294747 ZFKMYLNQRFUJJR-UHFFFAOYSA-N 387.460 5.190 30 40 GKEB CC(C)(C)C(=O)C1=C(C(C)(C)C)O[C@H](c2ccccc2)N(c2ccccc2)C1=O 2077931 IYZWRSIMOOJHBU-HSZRJFAPSA-N 391.511 5.664 30 40 GKEB CC1(C)CC(O)=C/C(=N\Nc2nc(C(Cl)(Cl)Cl)nc3ccccc23)C1 3204171 CUDFDSSCGDUKEA-AUEPDCJTSA-N 399.709 5.486 30 40 GKEB c1ccc(CO/N=C2/CCCc3c2cc(-c2ccccc2)n3-c2ccccc2)cc1 4053988 DYVDIVYUQXJYNO-FVDSYPCUSA-N 392.502 6.402 30 40 GKEB Cc1ccc2c(c1)N[C@@H](c1c(F)cccc1Cl)C1=C(CC(C)(C)CC1=O)N2 5218507 RHZHUVHAOMPSGO-NRFANRHFSA-N 384.882 6.009 30 40 GKEB CC(C)[C@H]1CC[C@@H](C)c2cc(C#N)c(SCc3nc4ccccc4[nH]3)nc21 6523091 VFUBCZJYTOOWEB-GDBMZVCRSA-N 376.529 5.759 30 40 GKEB Cc1c(Cl)cccc1/N=C/c1ccccc1OS(=O)(=O)c1ccccc1 8278112 QJYXUAHVVWCVHS-HYARGMPZSA-N 385.872 5.167 30 40 GKEB COc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OCc1ccc(C)cc1 8372979 KHABDLVIDKYKOA-VULFUBBASA-N 393.914 6.603 30 40 GKEB Cc1c(/N=C/c2ccc(-c3ccc(Cl)cc3)o2)c(=O)n(-c2ccccc2)n1C 13116528 BIKSSCIMZPXPMW-ZVHZXABRSA-N 391.858 5.148 30 40 GKEB CC(=C/c1ccco1)/C=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1 13595480 WHFAMSISRMUWAS-QZSRELSJSA-N 383.495 5.056 30 40 GKEB CSc1ccc(/C=C2/CN(C)C/C(=C/c3ccc(SC)cc3)C2=O)cc1 16952954 MZWLWOCKZOXMAV-BKHHGCLFSA-N 381.566 5.112 30 40 GKEB C=C[C@@H](C)c1cc(Cl)c(C)c(Cl)c1OC(=O)c1ccc([N+](=O)[O-])cc1 17379867 ROEFQJMTTQIFFO-SNVBAGLBSA-N 380.227 5.719 30 40 GKEB C=C(C)c1cc(C(=O)OC)c(OCc2ccccc2)cc1OCc1ccccc1 94986140 KERQOIXKIUJGQE-UHFFFAOYSA-N 388.463 5.664 30 40 GKEB CC/N=C1\S/C(=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3CC)C(=O)N1CC 223534906 CCXNFXAURXBWHK-LPTZNPCZSA-N 385.577 5.111 30 40 GKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(C(C)C)cc3)C(=O)N2C(C)C)cc1 408912818 LVZZWXXPLLDOPZ-NFEGURHZSA-N 378.541 6.131 30 40 GKEB Brc1cc(/C=N/c2cccc3ccccc23)oc1Br 408950506 FUICLSSBRGXFFM-GIJQJNRQSA-N 379.051 5.708 30 40 GKEB COc1ccc2c(c1)Cc1sc(/N=C\c3ccc(Cl)cc3Cl)nc1-2 409049670 XRBLEBGUKMJEQO-NKVSQWTQSA-N 375.280 5.780 30 40 GKEB Cc1c(Cl)cccc1/N=C\c1cccc(OCc2cccc3ccccc23)c1 409216375 KMNXWHGFXOEKLM-YUMHPJSZSA-N 385.894 7.131 30 40 GKEB C[C@H]1C/C(=C\c2ccccc2)c2nc3ccccc3c(C(=O)O[C@@H](C)C#N)c2C1 4340750 JEXWBLFHMKTLOH-ITOAWLMLSA-N 382.463 5.427 30 40 GKEB COc1ccc(Br)cc1/C=N/N=C(c1ccccc1)c1ccccc1 4925166 JNROWXNTFMCCRD-HZHRSRAPSA-N 393.284 5.329 30 40 GKEB CCCCCC[C@H](/C=N/NC(=S)Nc1ccc(C)cc1C)Cc1ccccc1 6317984 JHAZYMBBLLUTFK-BOJFNEGLSA-N 395.616 6.405 30 40 GKEB CCCC(C)(C)[C@@H]1C/C(=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H](C)C1 36354892 DIYFSYBOKDUFNM-YMALNPOBSA-N 376.457 5.533 30 40 GKEB CC(=O)Nc1ccc(/N=C/c2ccc(N3Cc4cc(C)c(C)cc4C3)cc2)cc1 100070250 LLYOJFNTXQCAMP-VULFUBBASA-N 383.495 5.533 30 40 GKEB CCC(=N\Nc1ccc(C)c(Cl)c1)/C(CC)=N/Nc1ccc(C)c(Cl)c1 102442640 BPPOKKVORRNPBI-FQHZWJPGSA-N 391.346 6.666 30 40 GKEB Cc1c(-c2ccc(/C=C/C(=O)n3cc(C#N)c4ccccc43)o2)cccc1[N+](=O)[O-] 226362383 DBQYNALCJLQUPQ-ZRDIBKRKSA-N 397.390 5.343 30 40 GKEB O=C(COc1ccc(/C=N\c2ccccc2Cl)cc1)Nc1cccc(Cl)c1 408801538 URAKJFHHWXFDKT-CFRMEGHHSA-N 399.277 5.762 30 40 GKEB CCOc1ccc2ccccc2c1/C=C1\SC(=Nc2ccccc2F)NC1=O 408876242 ODIPCAYASYTFSD-MOSHPQCFSA-N 392.455 5.269 30 40 GKEB CCCCc1ccc(-n2c(C)cc(/C=N\Nc3ccc([N+](=O)[O-])cc3)c2C)cc1 408910849 LLDNYAVJLKLVKU-JLPGSUDCSA-N 390.487 5.791 30 40 GKEB O=C(COc1c(Cl)cc(/C=N/c2ccccc2)cc1Cl)Nc1ccccc1 409201412 MNDDFDLIRYEURT-ZMOGYAJESA-N 399.277 5.762 30 40 GKEB COc1cc(/C=N/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2C)ccc1O 3899121 XJVOHEJWLQKZBK-CVKSISIWSA-N 375.512 5.928 30 40 GKEB Cc1cccc(CSc2nc3c(c(C(F)(F)F)c2C#N)CCCCC3)c1 4620407 XNQQSTWDTWCEHH-UHFFFAOYSA-N 376.447 5.842 30 40 GKEB S=C(N/N=C/C(c1ccccc1)c1ccccc1)Nc1ccccc1Cl 5417339 FYHIKBXCYLKPPQ-HZHRSRAPSA-N 379.916 5.444 30 40 GKEB Clc1ccc(-c2cs/c(=N\N=C3CCCCC3)n2-c2ccccc2)cc1 6400016 JZDPMAUKZMFTMT-FLFQWRMESA-N 381.932 6.080 30 40 GKEB COc1ccc([C@@H](C#N)N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1OC 12630762 LXBMRKPVQBTWKB-DHIUTWEWSA-N 397.478 5.120 30 40 GKEB Cc1cccc(N2C(S)=N/C(=N\c3ccccc3)[C@@]23CCOC(C)(C)C3)c1 13774621 JWLKSHHTMJWYLD-QFIPXVFZSA-N 379.529 5.159 30 40 GKEB Fc1cc(Br)cc(Cl)c1OC(F)(F)[C@@H](F)C(F)(F)F 16158581 PUFFLGSHGUPXBD-ZETCQYMHSA-N 375.465 5.114 30 40 GKEB CC1(C)C[C@@](C)(c2ccccc2)c2cccc3c2N1C(=O)/C3=N/c1ccc(F)cc1 100117601 VGXKBFMACSIFSA-NSUNUEHASA-N 398.481 5.781 30 40 GKEB CC1(C)C[C@@H]2C[C@](C)(CN2/C=N/c2sc3c(c2C#N)CC(C)(C)NC3(C)C)C1 101059063 KOPQVOOZGXDPKL-OESYSNKQSA-N 398.620 5.340 30 40 GKEB CCCCCCCCCCCC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1 408671272 KGYGTHHFQCSPAR-UHFFFAOYSA-N 394.559 6.798 30 40 GKEB Cc1cc(/C=N\c2ccccc2Br)c(C)n1-c1ccc(Cl)cc1 408784772 XGJCLNRATLTREY-UUYOSTAYSA-N 387.708 6.261 30 40 GKEB O=C1c2ccccc2/C(=N\c2ccc(Br)cc2)[C@@H]1c1ccccc1 1082668 FVPJKYCSQKVLSG-YFJJEWJYSA-N 376.253 5.550 30 40 GKEB CCC(=O)Oc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1 1279840 LPSHAGAMTUFCKH-HSZRJFAPSA-N 390.483 5.224 30 40 GKEB CCOc1ccc(Br)cc1/C=N/c1sc2c(c1C#N)CCCC2 2050646 ZAYYSZLPJAAFPJ-SRZZPIQSSA-N 389.318 5.410 30 40 GKEB O=C(Nc1ccc(Cl)cc1)c1c(/N=C/c2ccccc2)sc2c1CCCC2 2743981 DJOXYESFCURJSU-ZVHZXABRSA-N 394.927 6.283 30 40 GKEB Cc1ccc2cc(C)c(N/N=C/c3c(-c4ccccc4)nc4ccccn34)nc2c1 5072479 KTVBXDBXCJFVPH-WGOQTCKBSA-N 391.478 5.612 30 40 GKEB CCCCc1ccc2nc(C)cc(N/N=C/c3ccc(OC)c4ccccc34)c2c1 5392951 OSUMYXSZNVQXJY-WPWMEQJKSA-N 397.522 6.494 30 40 GKEB COc1ccc(C(=O)/C=C/c2ccc(OCc3cccc4ccccc34)cc2)cc1 7939540 RVTRQIYZGSJYEJ-WOJGMQOQSA-N 394.470 6.324 30 40 GKEB COc1ccc(/N=C/c2ccc(OCc3cccc4ccccc34)c(OC)c2)cc1 8116597 LSPJCODMIFHNRB-WPWMEQJKSA-N 397.474 6.187 30 40 GKEB Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1 8371768 FAJPSXAOANNOLE-BRJLIKDPSA-N 388.269 6.771 30 40 GKEB CCCCCCCCCCCCCC(=O)Nc1c2c(nc3c1CCC3)CCC2 8453863 CMBUDWKGIJEWTK-UHFFFAOYSA-N 384.608 6.699 30 40 GKEB CCOc1ccc(C(=O)Nc2cccc(C#Cc3cccs3)c2)cc1OCC 32907502 UNRJEDLGSWQFHV-UHFFFAOYSA-N 391.492 5.198 30 40 GKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N\c3ccccc3OCC)c2C)cc1 59427316 FAGYCOWHHZPAEY-XYGWBWBKSA-N 390.483 5.420 30 40 GKEB CCCCCCCCCCOc1ccc(OCCCCCCCCC)cc1 104134560 IDPXCPCBQYGBHP-UHFFFAOYSA-N 376.625 8.336 30 40 GKEB CC[C@H](C)N1C(=O)/C(=C\c2ccc(C(C)C)cc2)S/C1=N\c1ccc(C)cc1 408910603 ISBOSHFOUNSFTI-AFNGUCGGSA-N 392.568 6.521 30 40 GKEB N#Cc1ccc(-c2ccc(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)o2)cc1 409015403 MWVYUTAPNFQDTK-NDENLUEZSA-N 386.432 5.055 30 40 GKEB O=C(c1cc(Cl)cc(Cl)c1Cl)C(F)(F)C(F)(F)C(F)(F)F 575361552 QMYNYCLWTVLZNT-UHFFFAOYSA-N 377.470 5.662 30 40 GKEB CCSc1nc(-c2ccc(OC)cc2)cc(-c2ccc(Cl)cc2)c1C#N 2073102 GYGOVVUINWTXQB-UHFFFAOYSA-N 380.900 6.061 30 40 GKEB C=CCc1cc(/C=N/Nc2ccc(Br)cc2)cc(OCC)c1OC 4655958 ZEJCKNBALZBXLY-FYJGNVAPSA-N 389.293 5.031 30 40 GKEB COc1ccccc1NC(=O)c1c(/N=C/c2cccs2)sc2c1CCC2 4723885 HALGFILTSACXDM-CIAFOILYSA-N 382.510 5.310 30 40 GKEB Fc1ccc(N/N=C/c2cn(-c3cccs3)nc2-c2ccccc2)c(F)c1 4913550 KRLOEQLXULYAMZ-FSJBWODESA-N 380.423 5.325 30 40 GKEB FC(F)(F)c1ccc(Cl)c(N/N=C/c2ccc(Oc3ccccc3)cc2)c1 6475668 OSAUUUYACOQPGQ-DHRITJCHSA-N 390.792 6.597 30 40 GKEB Cc1sc2ccc3ccccc3c2[n+]1CC(=O)Nc1cccc2ccccc12 6588196 ZUUSAQXLMPIGIJ-UHFFFAOYSA-O 383.496 5.442 30 40 GKEB C=CCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc(-c2ccccc2)cs1 6786527 ZMZLHLWKOHOBEL-UHFFFAOYSA-N 399.859 5.205 30 40 GKEB CCCOc1ccc2ccccc2c1/C=N/c1ccc(Oc2ccccc2)cc1 6942623 JMSOROCYZRDTCN-ZXVVBBHZSA-N 381.475 7.172 30 40 GKEB CCOc1cc(/C=N/c2cccc(Cl)c2C)ccc1OCc1ccc(C)cc1 6961245 ZLCWQCCJRAGILA-CVKSISIWSA-N 393.914 6.685 30 40 GKEB Cc1ccc(/N=C(NC(C)(C)C)/C(=N/c2ccc(C)cc2)NC(C)(C)C)cc1 18210065 OGUICWOHCUEHOY-UHFFFAOYSA-N 378.564 5.840 30 40 GKEB CCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cc1C#N 225760134 AYRVQLWQDIAAJX-UHFFFAOYSA-N 376.500 5.496 30 40 GKEB O=C(/C=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)c1ccccc1 408622519 PTNJGLXCMIFCNU-PKNBQFBNSA-N 383.274 6.469 30 40 GKEB CCCCCCCCCCCCCCCC(=O)NC12CC3CC(CC(C3)C1)C2 408732021 ODHJHEJMQDJEFQ-UHFFFAOYSA-N 389.668 7.553 30 40 GKEB N#Cc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21 408763958 HCLDEESSYVDJLP-RYRKJORJSA-N 396.244 5.055 30 40 GKEB COc1cc(/C=N/c2cccc(C)c2C)ccc1OCc1cccc2ccccc12 409212750 QOFXCSJLRSJFDL-OGLMXYFKSA-N 395.502 6.795 30 40 GKEB CCOc1ccccc1/N=C\c1ccc(-c2ccc(C)cc2Br)o1 409242291 QISCOYYLOLXGFN-XKZIYDEJSA-N 384.273 6.167 30 40 GKEB Cc1cc(Br)cc(C)c1C(=O)C(F)(F)C(F)(F)C(F)(F)F 575362517 SORJNSHMLZOMRU-UHFFFAOYSA-N 381.085 5.082 30 40 GKEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@@H]2c1c[nH]c2ccccc12 809294 MEIKTGXCOHAESK-AREMUKBSSA-N 392.502 6.631 30 40 GKEB N#Cc1c(-c2ccc(Cl)cc2)cc(-c2cccs2)nc1SCC(=O)O 2405668 UQCLCESEXBRIHE-UHFFFAOYSA-N 386.885 5.179 30 40 GKEB C(=N/c1ccccc1)\c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 4833710 OAOOPVVUGNIGJP-WPWMEQJKSA-N 381.523 6.091 30 40 GKEB Cc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1[N+](=O)[O-] 6278660 FBFGEEHADPMBSU-AWEZNQCLSA-N 397.500 5.240 30 40 GKEB Cc1ccccc1N1C(=O)CC[C@]1(C#N)c1ccc(OCc2ccccc2)cc1 6525589 XFBQOFQZTPIUPA-VWLOTQADSA-N 382.463 5.120 30 40 GKEB Cc1ccccc1/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12 8570801 SQLMGVFTSIRZLL-JVWAILMASA-N 385.894 7.131 30 40 GKEB CSc1nc(NCCc2ccc(F)cc2)c(C#N)c(-c2ccc(Cl)cc2)n1 19820630 MWORCKHQULUDPB-UHFFFAOYSA-N 398.894 5.184 30 40 GKEB CCc1ccc(/C=N\Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 31854550 ITEJSTUOBXWBPL-FBHDLOMBSA-N 376.312 6.125 30 40 GKEB CCCCCCCC/C=C/CCCCCCCCNCCCNCCCN 82030979 ZXUXEWRICDHNKF-MDZDMXLPSA-N 381.693 5.942 30 40 GKEB CCc1ccccc1/N=C1\S/C(=C/c2c(F)cccc2Cl)C(=O)N1CC 408907960 CTATZXKLDOSRQR-INNVFMJMSA-N 388.895 5.665 30 40 GKEB Cc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3ccccc3)NC2=O)c1C 409065506 SVRWYUAQYFOHQK-STZFKDTASA-N 387.508 5.294 30 40 GKEB Cc1ccc(Oc2ccc(/N=C/c3cc(C)n(-c4ccccn4)c3C)cc2)cc1 409243082 VHKDHLCVZIRBER-WPWMEQJKSA-N 381.479 6.340 30 40 GKEB Cc1cc2c(cc1C)N[C@@H](c1ccc3c(c1)OCO3)C1=C(CC(C)(C)CC1=O)N2 1311596 YPDJDGBRBJUYMS-QHCPKHFHSA-N 390.483 5.254 30 40 GKEB C[C@@H](O/N=C/c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc2ccccc2c1 3399926 UZILETMDFSWWRP-GHONEHJGSA-N 387.266 5.524 30 40 GKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccccc1C(F)(F)F 4004707 GUOBSFMECVXLAJ-HXUWFJFHSA-N 386.417 5.927 30 40 GKEB COc1ccc([C@H]2N(c3ccccc3)OC(=O)N2c2cccc3ccccc23)cc1 5064994 KPQJPNXBYWVTTC-XMMPIXPASA-N 396.446 5.925 30 40 GKEB C(=N/Nc1nc2ccccc2[nH]1)\c1cccc(OCc2cccc3ccccc23)c1 5457109 PHSUHPXAGYAPCI-WGOQTCKBSA-N 392.462 5.741 30 40 GKEB COc1cccc(/C=C2\Oc3cc(Nc4ccc(C)cc4)ccc3C2=O)c1OC 11865076 QZZPTPWKSYBCDE-XKZIYDEJSA-N 387.435 5.372 30 40 GKEB CCCCCC/C(C[C@H](SCC)c1ccccc1Cl)=N/NC(N)=S 17141704 AJBTYTVSUDZURP-XESZTULISA-N 386.030 5.684 30 40 GKEB CCCCCCCCCCCCOc1ccc(-c2ccc(C(=O)O)cc2)cc1 103661141 HPZPFOIOJPBNKK-UHFFFAOYSA-N 382.544 7.352 30 40 GKEB CCCCCCCCCCC[C@@H](c1ccccc1)[N+](C)(C)Cc1ccccc1 104392428 SGSMZZVXYQWOME-MHZLTWQESA-N 380.640 7.925 30 40 GKEB CCc1ccccc1/N=C1\S/C(=C/c2cn(CC)c3ccccc23)C(=O)N1C 408916241 WLOLFKTXDRGDIW-NFEGURHZSA-N 389.524 5.457 30 40 GKEB CCOc1ccc2ccccc2c1/C=C1/SC(=Nc2ccc(F)cc2)NC1=O 408963605 CRGMQAKZOHAILT-DEDYPNTBSA-N 392.455 5.269 30 40 GKEB Cc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c(C)n1C1CCCCC1 409037954 VAISTWVXQDTDJC-OPVMPGTRSA-N 387.343 5.324 30 40 GKEB N#CC1(CCCSCc2ccc(Cl)c(C(F)(F)F)c2)CCOCC1 596387594 FQBGPWFPCFKKHX-UHFFFAOYSA-N 377.859 5.693 30 40 GKEB CCOC(=O)c1c(/N=C/c2c(OC)ccc3ccccc23)sc2c1CCC2 792678 UCXQVHRHMQZGQT-YDZHTSKRSA-N 379.481 5.326 30 40 GKEB COc1ccc(/N=C2/SC(=N)N(c3cccc(C)c3)C23CCCCC3)cc1 4549229 JZLPDCKNIMZUME-GBNUVNFUSA-N 379.529 5.925 30 40 GKEB O=C1/C(=N\Nc2cccc3ccccc23)C(c2ccccc2)=NN1c1ccccc1 4578378 ZAOGNDIUQIDGME-PNHLSOANSA-N 390.446 5.059 30 40 GKEB CCCCc1ccc(/N=C/c2cc(I)cc(C)c2O)cc1 6273996 XJKAMXIOZSWRMO-UDWIEESQSA-N 393.268 5.398 30 40 GKEB C=CCOc1c(Br)cc(/C=N/c2ccccc2)cc1Br 6295831 JMQNXYLYMXQTAB-YBFXNURJSA-N 395.094 5.527 30 40 GKEB Cn1c(S[C@@H](C#N)Cc2ccccc2)nnc1-c1ccc(C(C)(C)C)cc1 6850706 FCTPBDRHENHPEA-LJQANCHMSA-N 376.529 5.007 30 40 GKEB O=C(/C=C/c1ccc(COc2ccc3c(c2)CCC3)o1)c1ccc(Cl)s1 6926763 ZAUDVNCIVJZLOW-CMDGGOBGSA-N 384.884 5.958 30 40 GKEB COc1cc(Cl)cc(/C=N\c2ccc(O)c(-c3nc4ccccc4o3)c2)c1O 16194973 SZNWXALQWJWHKU-KSEXSDGBSA-N 394.814 5.319 30 40 GKEB CC(C)(C)c1ccc(C(=O)Oc2ccc(/N=C/c3ccc(Cl)cc3)cc2)cc1 100073822 JWQJAUCGOIGJKU-WGOQTCKBSA-N 391.898 6.607 30 40 GKEB CCCCCCCCCc1ccc(OC[C@@H](O)CNCc2ccccc2)cc1 100238907 XHMIOILEHDOMQX-DEOSSOPVSA-N 383.576 5.509 30 40 GKEB Cc1ccc2oc(-c3cccc(/N=C/c4c(O)ccc5ccccc45)c3)nc2c1 100502885 NJRNSCHJQCJRLY-CVKSISIWSA-N 378.431 6.413 30 40 GKEB CCC(/C=C\c1ccccc1)=N/NC(=S)N/N=C(\C=C/c1ccccc1)CC 104312438 SJZONJBEAGQWKJ-UXNSQNEQSA-N 390.556 5.409 30 40 GKEB C=CCOc1ccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1 219840338 NOLYCDOJDWHZDI-UHFFFAOYSA-N 393.870 5.736 30 40 GKEB C=CCOc1cccc(NC(=S)NC2(c3ccc(OC)cc3)CCCC2)c1 225868593 MQQCAVPTKIRDDE-UHFFFAOYSA-N 382.529 5.016 30 40 GKEB COc1ccc(/C=N/c2c(-c3ccco3)nc3ccc(Br)cn23)cc1 408721064 JMOFVBMVASGCBW-SRZZPIQSSA-N 396.244 5.116 30 40 GKEB C(=N/c1cccnc1)\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 408742397 WJKSAUKELKCIJK-TWKHWXDSSA-N 399.497 6.957 30 40 GKEB CC[C@H](C)Oc1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 409069379 XLQQBGFZWONXIO-JHAVZTMOSA-N 381.354 5.237 30 40 GKEB CC[C@H](C)Oc1c(Cl)cc(/C=N\c2ccc(Cl)c(Cl)c2)cc1OC 409380141 JAJLZCPSAYNQNG-NQWZYWRBSA-N 386.706 6.583 30 40 GKEB C=C1CC[C@@H](O)C/C1=C\C=C1\CCC[C@@]2(C)[C@H]([C@H](C)/C=C/[C@@H](C)C(C)C)CC[C@@H]12 1529012641 MECHNRXZTMCUDQ-JYJHTYJISA-N 396.659 7.641 30 40 GKEB CCOc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1 712468 BKMRHUMIGHEKIN-AREMUKBSSA-N 397.518 6.548 30 40 GKEB Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2C)cc1 1077601 BATTWXKCODIJDU-CCLHPLFOSA-N 394.518 6.283 30 40 GKEB Cc1ccc2oc(-c3ccc(C)c(/N=C/C=C/c4ccccc4[N+](=O)[O-])c3)nc2c1 2071790 ROLAQEIIIWESEF-NAHLOZMDSA-N 397.434 6.436 30 40 GKEB CCCCCCCSc1nnc2c(n1)O[C@@H](c1ccco1)Nc1ccccc1-2 2113347 MKNKRSSGABOLOZ-IBGZPJMESA-N 396.516 5.697 30 40 GKEB Brc1ccccc1/C=N/c1ccc(-c2nnc3n2CCCCC3)cc1 3233557 SRAHTMIEHGUSHV-HYARGMPZSA-N 395.304 5.185 30 40 GKEB COc1cc(/C=N/Nc2ccccc2)ccc1OC(=O)c1ccc2ccccc2c1 4113858 AWJYNNJRMHXPON-YZSQISJMSA-N 396.446 5.514 30 40 GKEB Oc1ccccc1/C=N\N=C(/C=C/c1ccccc1Cl)c1ccc(F)cc1 5048295 PQAZVBGWMZXENT-HCFJAPRYSA-N 378.834 5.721 30 40 GKEB Cc1cc(C)c(/N=C(\O)C/N=C(\O)c2cc3ccc(F)cc3nc2C)c(C)c1 12918950 NRAMACJJEFXCDZ-UHFFFAOYSA-N 379.435 5.200 30 40 GKEB Cc1ccc2[nH]c(=O)c(C(=O)/C=C/C=C/c3ccccc3)c(-c3ccccc3)c2c1 95115960 DZDMHSVXWHVWAE-NVXXTVOZSA-N 391.470 5.956 30 40 GKEB Clc1ccc(/C=N\CCC/N=C\c2ccc(Cl)c(Cl)c2)cc1Cl 100391498 GPEJZVNHKMUIGF-KRPUJQTQSA-N 388.125 6.228 30 40 GKEB O=C(c1ccc(Cl)c(Cl)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 101472069 BXTBRTXHOJOLKB-UHFFFAOYSA-N 393.032 5.644 30 40 GKEB CCCCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)S/C1=N/c1ccccc1 103085936 NECQTQRAJNKAAT-MPIQAULUSA-N 396.512 5.108 30 40 GKEB C=CCSc1ccccc1C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 219806671 ZTNOURUWGIKNNT-UHFFFAOYSA-N 395.911 6.663 30 40 GKEB CCn1nccc1/C=C1\C[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]2(C)C1=O 253370091 LWLNXMRZXSNPHH-FBZHZDFZSA-N 380.576 5.898 30 40 GKEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/c2cc(C(=O)O)ccc2Cl)o1 408961263 LYPPABGYGLOVQB-LSHDLFTRSA-N 383.787 5.055 30 40 GKEB N#CCc1ccc(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 1098465 BGOPWJDZSGVGRV-UHFFFAOYSA-N 392.911 5.951 30 40 GKEB C=C1CC[C@@H](O)C(C)(C)[C@@H]1CC/C(C)=C\COc1ccc2ccc(=O)oc2c1 5380738 XXKXCRGLMFAXTK-VJOPADOOSA-N 382.500 5.252 30 40 GKEB endogenous,in-man O=C1/C(=C\c2ccccc2)CCC[C@@]12[C@@H](c1ccccc1)N2Cc1ccccc1 5554868 KHURGIKVMGDILD-BAKSJRIOSA-N 379.503 5.819 30 40 GKEB COc1ccc(/N=C/c2ccc(-c3cc(Cl)ccc3C(=O)OC(C)C)o2)cc1 6307074 ISEKWILEEBVFKO-ZMOGYAJESA-N 397.858 5.924 30 40 GKEB C=C[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)N(CC)CC 6384814 IZLFEOKZLMRPGH-SANMLTNESA-N 385.551 5.892 30 40 GKEB FC(F)(F)c1cccc(-c2ccc(/C=N/NCc3ccccc3Cl)o2)c1 8811439 YIWAUHRMMFNZTA-BRJLIKDPSA-N 378.781 5.743 30 40 GKEB CC(C)(C)c1cc(C(F)(F)F)c(C#N)c(SCc2ccccc2Cl)n1 9422610 VUDYCYCRKVFAHB-UHFFFAOYSA-N 384.854 6.215 30 40 GKEB CCc1ccc(/C=C2\Oc3cc(OC/C=C/c4ccccc4)ccc3C2=O)cc1 9484925 MXRMGVNDUAHHEA-ZWVOBYKJSA-N 382.459 5.957 30 40 GKEB Cc1nn2c(c1-c1ccccc1)NC1=C(C(=O)C[C@H](C)C1)[C@@H]2c1ccc(F)cc1 14163645 SLVPOGYBKJKAAY-FATZIPQQSA-N 387.458 5.266 30 40 GKEB C(=N/Nc1nc(-c2ccccc2)cs1)\c1cccc(OCc2ccccc2)c1 33377353 MRZREOZKKIJMBM-BUVRLJJBSA-N 385.492 5.835 30 40 GKEB C=C(C)[C@@H](O)c1ccc2ccccc2c1-c1c([C@H](O)C(=C)C)ccc2ccccc12 95611704 QGBNOLZBSXSVGL-VSGBNLITSA-N 394.514 6.879 30 40 GKEB CCCCCCCCCCCCCC[n+]1cccc2c3ccccc3ccc21 100501145 SYMRGLDZWHZBQV-UHFFFAOYSA-N 376.608 7.982 30 40 GKEB Cc1ccc2nc(-c3cccc(/N=C/c4cc(Cl)cc(Cl)c4O)c3)oc2c1 100501522 JUKZVJGLLXVLHL-BHGWPJFGSA-N 397.261 6.566 30 40 GKEB CCc1ccc(-c2cs/c(=N/C)n2/N=C/c2ccc(N(CC)CC)cc2)cc1 102960323 HLWQCLMPEFWLOF-QNSIDEIMSA-N 392.572 5.038 30 40 GKEB N#Cc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 226339668 VBSULPJECMZRQU-UHFFFAOYSA-N 391.479 5.860 30 40 GKEB Cc1ccc(/C=C2\C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1 253499291 DZQWNCYAOSAXOV-OMYQYTSXSA-N 376.584 6.990 30 40 GKEB biogenic C/C(=N/Nc1nc(-c2ccc(C)cc2)cs1)c1ccc(C2CCCCC2)cc1 409050851 BGCCPJSNJYHGRS-ITYLOYPMSA-N 389.568 7.002 30 40 GKEB Cc1ccc(Sc2ccc(/C=N\c3ccc(C)cc3Br)cc2)cc1 409240519 QEUXVBBZSOKJMK-UCQKPKSFSA-N 396.353 6.968 30 40 GKEB Clc1cc2c(cc1/C=N/c1ccc3oc(-c4ccccc4)nc3c1)OCO2 3212357 YIAHDKHHGFNEFR-FOKLQQMPSA-N 376.799 5.628 30 40 GKEB CN(C)c1ccc(C2=C3C(=O)CC(C)(C)C[C@@H]3c3c(ccc4ccccc34)N2)cc1 4619432 CRVNAPDTFSUEII-OAQYLSRUSA-N 396.534 6.215 30 40 GKEB O=C(Nc1ccc(-c2csc(N/N=C\c3ccccc3)n2)cc1)c1ccccc1 31906050 YBHVNQDZPMYXJQ-IWIPYMOSSA-N 398.491 5.508 30 40 GKEB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(Cl)cc1 33711365 YLHGWRCXBXPJBY-JLHYYAGUSA-N 385.854 5.484 30 40 GKEB CCCCOc1ccc(C(=O)/C=C/Nc2cc(OC)c(Cl)cc2OC)cc1 44843282 UOVUKHINELNRNK-ZHACJKMWSA-N 389.879 5.345 30 40 GKEB C/C(=N\Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)c1ccccc1 59417944 YPBJZMNMOGZYET-STBIYBPSSA-N 395.470 5.195 30 40 GKEB Cc1c(/C=N/Nc2nc3ccccc3[nH]2)c2ccccc2n1Cc1ccc(F)cc1 408592026 XDMFGUMTUCMPIE-VULFUBBASA-N 397.457 5.459 30 40 GKEB CC(C)c1ccc(/C=N/Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)cc1 408729193 AKNZZGDTACMLHA-JRXWSOMVSA-N 378.291 5.831 30 40 GKEB CCN1C(=O)/C(=C\c2cccc3ccccc23)S/C1=N\c1c(C)cccc1C 408906990 FSQCYXCKOMRCNB-LPCFMYKTSA-N 386.520 6.081 30 40 GKEB COC(=O)c1ccc(C)c(/N=C/c2cccn2-c2cccc(C(F)(F)F)c2)c1 408931616 NYJSAPLQEFDRGC-DHRITJCHSA-N 386.373 5.342 30 40 GKEB Cc1cc(/C=N\c2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(C(C)(C)C)cc1 408968329 VMYAHJDGEKUXPG-WGARJPEWSA-N 399.365 7.449 30 40 GKEB O=[N+]([O-])c1cc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)ccc1Cl 409071468 RNHKIFMDXYVJLQ-AFUMVMLFSA-N 394.902 6.467 30 40 GKEB Cc1ccc(C(=O)c2ccc3oc(-c4ccc(C)cc4)c4c3c2C(=O)C=C4)cc1 670417848 UHSGTVZYFVHWKK-UHFFFAOYSA-N 378.427 6.157 30 40 GKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1-c1ccc(C=[N+]([O-])c2ccccc2)o1 1083148056 YOQBCHWUKOMOLA-UHFFFAOYSA-N 376.290 5.135 30 40 GKEB Cc1cc(O)c(/C=N/c2ccc(-c3nc4ccccc4o3)cc2)c(C)c1Cl 3066572 JIYSKFONMYTITB-WYMPLXKRSA-N 376.843 6.221 30 40 GKEB CC(C)[C@@H](C(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1)c1ccc(Cl)cc1 3332365 OGSHNFOGAZSAJM-HSZRJFAPSA-N 389.882 6.224 30 40 GKEB O=C(/C=C/c1ccc(Br)cc1)c1ccc2oc3ccccc3c2c1 4866086 RDEHRHOPMBYVHA-YRNVUSSQSA-N 377.237 6.245 30 40 GKEB Cc1ccc(/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)c(C)c1 8368819 KOTWJDORXVXNEN-DHRITJCHSA-N 384.306 6.940 30 40 GKEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2)cc1 18123013 LVFBSAHSTUIEHZ-AFMDSPMNSA-N 396.490 5.675 30 40 GKEB Cc1ccc(NC(=S)N/N=C2/C[C@@H](c3ccccc3)Oc3ccccc32)cc1 33959888 NAYAALVSYGLVLV-WTALZMIHSA-N 387.508 5.210 30 40 GKEB CCCCCCCCCCCCN[C@@H](C(=O)c1ccccc1)c1ccccc1 100693341 TYYYUJPIJMFBJG-RUZDIDTESA-N 379.588 7.121 30 40 GKEB Cc1cc(C)cc(N=C2NC(=O)/C(=C/c3cc(C)n(C4CCCC4)c3C)S2)c1 408771139 DJQBVCWZKSLQFP-BKUYFWCQSA-N 393.556 5.728 30 40 GKEB COc1ccc(Br)c2c1-c1nc(/N=C/c3cccs3)sc1C2 409046658 LBBCMALWFDYQHB-QGMBQPNBSA-N 391.315 5.298 30 40 GKEB Cc1ccc(-c2ccc(/C=N\c3cccc([N+](=O)[O-])c3)o2)c(Br)c1 409228863 GDDKNHAABBDOAW-JAIQZWGSSA-N 385.217 5.676 30 40 GKEB C/C=C(\C)[C@@H]1C(C)=C[C@]2(C)C[C@H](C)CC[C@@H]2[C@@H]1C(=O)C1=C/C(=C/C(C)C)NC1=O 1086455202 TXVWNUBEANXHMB-YNJNLNDVSA-N 395.587 5.753 30 40 GKEB C=CCn1c(SCc2ccc(C)cc2C)nc2sc3c(c2c1=O)CCCC3 2085579 MFNZTBWXRGIBAL-UHFFFAOYSA-N 396.581 5.432 30 40 GKEB CCCCCCCCCCn1c2ccc(OC)cc2c2nc3ccccc3nc21 2196640 TYYWHCITCBQHFC-UHFFFAOYSA-N 389.543 6.887 30 40 GKEB N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCCc1ccccc1 5120147 IISVCJGFVBGSIY-UHFFFAOYSA-N 392.527 6.622 30 40 GKEB CSc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)cc1 6820407 KGFOCYOQBRGEIA-PBHICJAKSA-N 397.927 5.066 30 40 GKEB COc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(Br)c1O 8108839 XOAFEVNSJUITDM-LPYMAVHISA-N 398.256 5.706 30 40 GKEB CC1=C(C(=O)OC2CCCCCC2)[C@@H](c2ccccc2F)C2=C(CCCC2=O)N1 19972794 RUWJXLLHZUAYQC-JOCHJYFZSA-N 397.490 5.060 30 40 GKEB C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@H]([C@@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]12 36288956 MECHNRXZTMCUDQ-MUVBGRISSA-N 396.659 7.641 30 40 GKEB CCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2cccc(CC)c2)cc1 98001404 ZXMHHESJCZFTDF-UHFFFAOYSA-N 394.559 6.581 30 40 GKEB biogenic Cc1ccc2nc(-c3ccc(C)c(/N=C/C=C/c4ccccc4[N+](=O)[O-])c3)oc2c1 100511273 ZHZKBLXVSWRANM-NAHLOZMDSA-N 397.434 6.436 30 40 GKEB CCOc1ccc(/N=C/C(=C\Nc2ccc(OCC)cc2)c2ccccc2)cc1 103286770 HDVGMQXYNJZWAK-FYLJGWAWSA-N 386.495 6.340 30 40 GKEB CCCCCCCCCC[C@H](O)CN1CCN(c2cccc(Cl)c2)CC1 104063950 VKMKPAZMLMPJSL-QFIPXVFZSA-N 381.004 5.354 30 40 GKEB C=CCOc1cccc(NC(=S)N[C@@H](c2ccccc2)c2cccc(C)c2)c1 225700945 KLVATMHUSFYRLE-QHCPKHFHSA-N 388.536 5.636 30 40 GKEB COc1cccc(/N=C\c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)c1 408805254 FLOHAJHHWZQHTG-OYKKKHCWSA-N 394.858 5.117 30 40 GKEB C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccccc2)S/C1=N\c1ccccc1 408862078 IARFEJBQUWEFDR-RDLXWXJRSA-N 376.525 5.869 30 40 GKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(OCC(C)C)cc3)C(=O)N2C)cc1 408906139 HOQYMEBLENRWNY-DYEBMTOPSA-N 380.513 5.264 30 40 GKEB Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1C 409215721 AJGFKBTXYZSJOZ-ZMOGYAJESA-N 394.858 6.195 30 40 GKEB O=[N+]([O-])c1ccc(COc2ccc3ccccc3c2/C=N/c2ccccc2)cc1 409217826 XBOOQLVXWRUWGU-PCLIKHOPSA-N 382.419 6.078 30 40 GKEB COc1cccc(/N=C/c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)c1 409379106 UFMTUGOTEKKTIG-MFKUBSTISA-N 388.467 5.080 30 40 GKEB CC1(C)CC(=O)c2c(nc(SCc3ccccc3)c(C#N)c2-c2ccccc2)C1 3191280 CWTDWRFITISFPU-UHFFFAOYSA-N 398.531 6.068 30 40 GKEB C=CCN1C(=O)c2ccccc2[C@H]1c1c(-c2ccc(F)cc2)[nH]c2ccccc12 4739943 YXSUIUWWHYVMFX-DEOSSOPVSA-N 382.438 5.705 30 40 GKEB N#Cc1c(C(=O)c2cccs2)nn(-c2ccccc2)c1-c1ccc(Cl)cc1 6242940 OOHKTYBPEOOEMX-UHFFFAOYSA-N 389.867 5.357 30 40 GKEB CCc1ccc(/N=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)cc1 8084173 KOTFRIWDKQAEDG-OGLMXYFKSA-N 399.921 7.385 30 40 GKEB CC(C)(C)c1cc(C(F)(F)F)c(C#N)c(SCc2ccc(Cl)cc2)n1 9421985 DWWDCWBNZRFVTF-UHFFFAOYSA-N 384.854 6.215 30 40 GKEB CSC1=N/C(=N\c2c(C)cccc2C)C2(CCCC2)N1c1ccccc1C 13739366 VKODPLPADIHDKW-FLFQWRMESA-N 377.557 6.194 30 40 GKEB CCCCCCCCCCCCOc1cc(C(=O)OC)cc(C(=O)OC)c1 68562421 LFTVMGCFOQJKGM-UHFFFAOYSA-N 378.509 5.560 30 40 GKEB biogenic O/N=C1/[C@H]2CC[C@@H](C2)[C@@H]1Sc1nc(-c2ccccc2)c(-c2ccccc2)o1 100928297 QVLKDXFKSIJEKM-IFEVNHFTSA-N 376.481 5.729 30 40 GKEB CCCCCCCCNCc1c(OCc2ccccc2F)ccc2ccccc12 102561823 FXVMDOLDNVKVIC-UHFFFAOYSA-N 393.546 7.008 30 40 GKEB COc1ccc(/N=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C=C3C)cc1Cl 223509437 MUQUKVOENAZBLA-VULFUBBASA-N 396.962 6.818 30 40 GKEB C=CCOc1cccc(NC(=S)NCCSCc2ccc(Cl)cc2)c1 225303941 POPSZVYCHMNBCS-UHFFFAOYSA-N 392.977 5.125 30 40 GKEB CCCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1C#N 225751098 CFJGVKBQJMSXBE-UHFFFAOYSA-N 396.918 5.841 30 40 GKEB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)c(C#N)c1 225751386 JBAUWPVIJVYFQN-MRXNPFEDSA-N 396.918 5.839 30 40 GKEB Cc1cccc(-n2c(C)cc(/C=N/OCc3cccc([N+](=O)[O-])c3)c2C)c1C 408592190 LODQSMQDGRWSBX-YDZHTSKRSA-N 377.444 5.170 30 40 GKEB Cc1ccc(-c2ccc(/C=N\c3ccc(C)c([N+](=O)[O-])c3)o2)c(Br)c1 409231463 JEZHDHMJWSOGIW-NHDPSOOVSA-N 399.244 5.985 30 40 GKEB N#CC(C#N)(Cc1ccc(Cl)c(Cl)c1)Cc1ccc(Cl)c(Cl)c1 2655066 LIJTYMJJSBQJDW-UHFFFAOYSA-N 384.093 6.119 30 40 GKEB Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3ccc(Cl)c(Cl)c3)S2)c1 4503123 KVEBNVVUAMAVNU-SXGWCWSVSA-N 377.296 5.502 30 40 GKEB CCC(C)(C)[C@H]1CCc2sc3ncnc(N/N=C\c4cccc(O)c4)c3c2C1 5205171 LBJIJJHEFFVDTQ-JNXALSOLSA-N 394.544 5.384 30 40 GKEB N#Cc1ccc(-c2ccc(Cl)cc2)nc1S[C@H](C(=O)O)c1ccccc1 12249766 QUAKZEOSMGQMMK-SFHVURJKSA-N 380.856 5.192 30 40 GKEB Cc1ccsc1/C=C1\Oc2cc(OC(=O)c3ccc(F)cc3)ccc2C1=O 13787056 OBQJOJUDMKDOKO-WQRHYEAKSA-N 380.396 5.031 30 40 GKEB CCS/C(=N\c1cn(C)nc1C)N(Cc1ccccc1)Cc1ccccc1 17077481 BLCYUFRLERAVGW-FCQUAONHSA-N 378.545 5.172 30 40 GKEB CCCCc1ccc(Nc2c3c(c(C#N)c4nc5ccccc5n24)CCCC3)cc1 17206399 NEAJEIXCRRIJHI-UHFFFAOYSA-N 394.522 6.324 30 40 GKEB Brc1ccc(/N=C2/c3ccccc3-c3nc4ccccc4nc32)cc1 54363765 WYOXZAZWZVJUTI-NMWGTECJSA-N 386.252 5.542 30 40 GKEB C[C@H](NC(=O)c1ccccc1N/C=C1\C(=O)C=Cc2ccccc21)c1ccccc1 100477401 YUGODMKHHCZZOI-ZVTCDHROSA-N 394.474 5.227 30 40 GKEB in-vitro CCCOc1ccccc1/C=C1/S/C(=N\c2ccc(C)cc2)N(C(C)C)C1=O 408910404 IDVUPWRQPBQRCZ-NVZLDUMVSA-N 394.540 5.796 30 40 GKEB Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N/c1cccc2ccccc12 409085673 ZMTQXSYMEZUNQB-OGLMXYFKSA-N 381.519 6.764 30 40 GKEB O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)Cc2ccccc21 409368794 NHCQHQCNPNPINA-WOJGMQOQSA-N 395.285 6.395 30 40 GKEB FC(F)(F)C(F)(F)C(F)(F)CCCOc1ccccc1Br 1565662375 DFNGOVFOUJBGIJ-UHFFFAOYSA-N 383.101 5.441 30 40 GKEB CCCCCCCn1c(N)c(C(=O)OC[C@H](C)CC)c2nc3ccccc3nc21 2233839 IURRZBKLOZHEIR-MRXNPFEDSA-N 396.535 5.340 30 40 GKEB C=CCn1c(SCc2cc(C)ccc2C)nc2sc3c(c2c1=O)CCCC3 2382397 LJGLFVRPHVDOCN-UHFFFAOYSA-N 396.581 5.432 30 40 GKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cccc(Cl)c3)c2C#N)C1 2738775 UHCGBPRGZZEIAD-AWEZNQCLSA-N 386.948 6.067 30 40 GKEB Cc1ccc(-c2csc(/C(C#N)=N/Nc3ccc(Br)cc3)n2)cc1 4175432 PCVOMXDXCMHGLS-XQNSMLJCSA-N 397.301 5.221 30 40 GKEB C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(C)cc2)cc1 4368001 AWANRNLPVLXUCH-AZGAKELHSA-N 396.490 5.802 30 40 GKEB CCCCC(Nc1ccc2ccccc2c1)=C1C(=O)CC(c2ccccc2)CC1=O 4406338 OPFKWLXTBQLVMB-UHFFFAOYSA-N 397.518 6.412 30 40 GKEB CC1=Nc2ccccc2N2C1=CC1=C(C(=O)c3cc4ccccc4cc3C1=O)[C@@H]2C 4774356 ZGSORSLZANXNSS-HNNXBMFYSA-N 390.442 5.414 30 40 GKEB C=CCOc1ccc(C(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1 8499834 OGOIOMROQJHHJZ-UHFFFAOYSA-N 396.339 5.221 30 40 GKEB Cc1ccc(Sc2oc(/C=N/c3ccccc3O)cc2Br)cc1 15227511 NJCDQSBLTRMBDD-RGVLZGJSSA-N 388.286 5.958 30 40 GKEB COc1ccc(/C(Cl)=C/C=N/N=C/C=C(\Cl)c2ccc(OC)cc2)cc1 16215772 MUQKBOVPBCFTAS-ZGWMJANWSA-N 389.282 5.620 30 40 GKEB Cc1ccccc1C[C@@H]1S/C(=N/N=C/c2ccccc2)N(c2ccccc2)C1=O 28294294 GVJYKXMMLRULQL-VDSIAQTOSA-N 399.519 5.076 30 40 GKEB N#Cc1ccc(-c2cc(-c3ccccc3)c3cc(Br)ccc3n2)cc1 32616753 SZWDATHFELJBPJ-UHFFFAOYSA-N 385.264 6.203 30 40 GKEB Cc1cc(C)cc(NC(=O)CSc2nc3cc(C)c(C)cc3cc2C#N)c1 34791500 GIXPOHDSOCNIJK-UHFFFAOYSA-N 375.497 5.071 30 40 GKEB CCCCC1CCC(c2nc(C#N)c(NC[C@H](CC)c3ccccc3)o2)CC1 61997205 VHYCSKPBNLHEHE-SCCNAQOGSA-N 379.548 6.616 30 40 GKEB C(=N\c1ccc(/N=N/c2ccccc2)cc1)\c1c2ccccc2cc2ccccc12 100211990 FEHMVYCMCCHJNH-GFHNIQJOSA-N 385.470 8.159 30 40 GKEB CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1cccc(Cl)c1 101275155 LEMJQZCQWHOECM-IBGZPJMESA-N 389.882 5.278 30 40 GKEB CCCCCCCCCCCCNC(=S)N/N=C\c1ccc(N(C)C)cc1 104380341 WJPIPSIPUPMPDI-CLCOLTQESA-N 390.641 5.472 30 40 GKEB CCCN1C(=O)/C(=C\c2cccc(Cl)c2Cl)S/C1=N\c1ccccc1 408910732 XWOLFDJLVQUJRM-LQRSSTQKSA-N 391.323 6.007 30 40 GKEB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N/c2cccc3ccccc23)c1C 408915802 ZAYGVAHEEHGIEL-CVKSISIWSA-N 382.463 6.005 30 40 GKEB Cc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(C(C)(C)C)cc1 408966198 KJWVLAPYYGXLMU-BUVRLJJBSA-N 390.487 5.746 30 40 GKEB Clc1ccccc1/C=N/c1ncnc2oc(-c3ccco3)c(-c3ccco3)c12 408975813 NVUYTMARSGKJMY-FOKLQQMPSA-N 389.798 6.147 30 40 GKEB CCCCOc1ccc2ccccc2c1/C=N\Nc1nc2ccccc2s1 409008618 YTNSFUITISDPGS-HAHDFKILSA-N 375.497 6.074 30 40 GKEB Clc1cccc(/N=C\c2cccn2-c2cccc(Br)c2)c1Cl 409008923 AIFGKLTWKLALGK-NHDPSOOVSA-N 394.099 6.297 30 40 GKEB C=CCn1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 409196490 ZNPZUCRNAXGDPZ-XDHOZWIPSA-N 394.883 5.722 30 40 GKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3cccc(C(C)=O)c3)c2C)cc1 843447 WSGNOHOZNQKQHL-MFKUBSTISA-N 388.467 5.224 30 40 GKEB C[C@H]1CN(C(=O)Nc2cccc(C(F)(F)F)c2)/C(=N/c2ccccc2)S1 2229770 FIKRXINMHBWHLJ-WIDXYARISA-N 379.407 5.362 30 40 GKEB COc1cc(/C=N/N2CCCCC2)ccc1OCc1ccc(Cl)cc1Cl 3245043 MPOJLNABINCJIM-YDZHTSKRSA-N 393.314 5.401 30 40 GKEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N\Nc2nc3ccccc3s2)o1 4689805 VFNJILSIZNZNMK-NHDPSOOVSA-N 377.425 5.009 30 40 GKEB N#Cc1ccc(COC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)cc1 6586210 IQNHBNRDJKSQPH-UHFFFAOYSA-N 380.403 5.237 30 40 GKEB CCCCCCCCCCCC[n+]1ccc(/C=C/c2ccc(N(C)C)cc2)cc1 8417354 HJDWBLAETOTRKA-UHFFFAOYSA-N 393.639 7.131 30 40 GKEB Cc1ccccc1/N=C/c1ccc(OCc2cccc(F)c2)c(Br)c1 8570864 PAKOUDHOZSBMAR-ZMOGYAJESA-N 398.275 6.226 30 40 GKEB N#Cc1c(/N=C/c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)sc2c1CCCC2 100164834 VGYTZYOWCSRDCT-OEAKJJBVSA-N 394.500 5.148 30 40 GKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](C#N)CC[C@]4(C)[C@H]3CC[C@@]21C 118932737 IPBLIUKTZDRWCD-GWEYPQJLSA-N 395.675 8.168 30 40 GKEB Cc1cc2c(cc1/C=N/c1ccc(Br)cc1)[C@@H](C)CC(C)(C)N2C 198083092 IBAFFRHQARZTGF-LUILSVGHSA-N 385.349 6.230 30 40 GKEB Cc1ccc2nc(-c3ccc(C)c(N=Cc4cc([N+](=O)[O-])ccc4O)c3)oc2c1 254679139 KOWDFHZSKLWFGL-UHFFFAOYSA-N 387.395 5.476 30 40 GKEB CC[C@H](C)c1ccc(/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)cc1 409068386 RCFRJZVKEHCHCD-VSMYLPJWSA-N 377.238 5.327 30 40 GKEB Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=N/c2ccccc2)cc1 409212144 PMZDXFDWJWVWPA-HYARGMPZSA-N 385.872 5.167 30 40 GKEB Cc1ccc(NC(=O)COc2cccc(/C=N/c3ccc(F)c(C)c3)c2)cc1C 409376961 CVFOIYGVXFPRNK-VULFUBBASA-N 390.458 5.519 30 40 GKEB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1ccccc1 4863783 SHQYDKFVJHGZEG-DTQAZKPQSA-N 384.866 6.089 30 40 GKEB O=C1/C(=C/c2ccncc2)Oc2cc(OCc3ccc(F)cc3Cl)ccc21 5249577 LRXDPKRGDAITHG-UKWGHVSLSA-N 381.790 5.069 30 40 GKEB COc1c(Br)cc(Br)cc1/C=N/c1ccc(C)cc1 5380361 LDNYCDWHZQSDIN-GIJQJNRQSA-N 383.083 5.279 30 40 GKEB N#Cc1c(N)c(C#N)c2c(c1-c1ccc(Cl)cc1Cl)COc1ccccc1-2 6276999 ZLFSAJSIXXRFRQ-UHFFFAOYSA-N 392.245 5.545 30 40 GKEB C=CCc1cc(C=O)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 8254196 JQLCWDSHHAYJPL-UHFFFAOYSA-N 395.333 5.346 30 40 GKEB Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 8371828 ZTVZPSJPQDAXIM-YDZHTSKRSA-N 380.831 5.886 30 40 GKEB O=C1ON=C(c2ccc(Cl)cc2)/C1=C/c1c2ccccc2cc2ccccc12 12360320 AJZLPRNGSRKHSB-HMAPJEAMSA-N 383.834 5.991 30 40 GKEB COc1ccc2c(c1)CC[C@@H]1[C@@H]3CC/C(=C\c4ccccc4)C(=O)[C@@]3(C)CC[C@@H]21 37246162 CZUYRYFVJAOCAN-KWRUKNQESA-N 386.535 6.204 30 40 GKEB Cc1cc(/C=N/c2ccc(F)cc2F)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 59302603 CUURXHZVXYGLSD-YSURURNPSA-N 388.801 5.475 30 40 GKEB O[C@H](CON=C1c2ccccc2-c2ccccc21)COc1cccc2ccccc12 95117270 UKEIUSNPUATYQR-IBGZPJMESA-N 395.458 5.029 30 40 GKEB CCOC(=O)c1c(C)oc2c1/C(=C/Nc1ccccc1C)C(=O)c1ccccc1-2 100868721 NAFOHCPKBQCYGN-AQTBWJFISA-N 387.435 5.389 30 40 GKEB CCc1cccc(C)c1-n1c(C)cc(/C=N\c2ccccc2Br)c1C 408959718 DQPFQPFUUWCRMI-OYKKKHCWSA-N 395.344 6.478 30 40 GKEB CC[C@@H](C)c1ccc(/N=C/c2cccn2-c2cccc(Br)c2)cc1 409010807 LOBQJBDPLCDGHV-LGVXEURYSA-N 381.317 6.504 30 40 GKEB O=C1CCCC2=C1[C@H](c1ccsc1)CC(=O)N2c1ccc(C(F)(F)F)cc1 1079528 XPMWCWZZJFBEMV-HNNXBMFYSA-N 391.414 5.295 30 40 GKEB Cc1cccc(CSc2nc(-c3cccs3)cc(-c3ccccc3)c2C#N)c1 1749874 VSDHXZJSXTVCFN-UHFFFAOYSA-N 398.556 6.950 30 40 GKEB C=CCn1c(SCCCCC)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 2271610 LHEYUXIVEONWRR-UHFFFAOYSA-N 394.584 5.747 30 40 GKEB C[C@H](O/N=C/c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc2ccccc2c1 3399922 UZILETMDFSWWRP-ZXCVBSDHSA-N 387.266 5.524 30 40 GKEB CC(C)=N/N=c1/scc(-c2ccc(Br)cc2)n1-c1ccccc1 4475458 JBFFCFJGMMFGDR-DYTRJAOYSA-N 386.318 5.265 30 40 GKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cccc4ccccc34)c2C#N)C1 5901851 BEYMBZRSBPAYMY-MRXNPFEDSA-N 388.536 6.176 30 40 GKEB C=CCOc1ccc(C(=O)Nc2ccc(CSc3ccccc3)cc2)cc1 8041685 QQDCDUNAWVACIG-UHFFFAOYSA-N 375.493 5.796 30 40 GKEB N#CCCCSc1nc2scc(-c3ccco3)c2c(=O)n1-c1ccccc1 8936342 XQEGOZKLDDUKNO-UHFFFAOYSA-N 393.493 5.103 30 40 GKEB N#C[C@H](c1ccc(Cl)cc1)c1cccc([C@H](C#N)c2ccc(Cl)cc2)n1 13222842 HDHWCVHVEDSRTI-RTBURBONSA-N 378.262 5.699 30 40 GKEB CSc1nc(NCCC2=CCCCC2)c(C#N)c(-c2ccc(Cl)cc2)n1 19820550 RHWXODHTJCHOHZ-UHFFFAOYSA-N 384.936 5.693 30 40 GKEB CCCCc1c(-c2ccccc2)nc(N)c(C#N)c1-c1ccc(OC)c(OC)c1 19832469 GMNVFISXNQRCNA-UHFFFAOYSA-N 387.483 5.229 30 40 GKEB O=[N+]([O-])c1cc(Cl)cc(/C=N/Nc2cc(C(F)(F)F)ccc2Cl)c1O 38165905 CFUYWHFXPCKLMS-CGOBSMCZSA-N 394.136 5.072 30 40 GKEB O=C1/C(=C\c2ccccc2OC(F)F)[C@H](c2ccccc2)Oc2ccccc21 97993098 LWDFJZSOZBFKDJ-RRXSNJIPSA-N 378.374 5.688 30 40 GKEB C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(O)C#Cc1ccccc1 118915136 LZYLYVQWNIUJNH-KMMQCJLJSA-N 392.583 5.173 30 40 GKEB COc1cc(/C=N/c2ccc(F)c(C)c2)ccc1OCc1ccc(C(=O)O)cc1 165439181 TYXVRTACFQFYQO-DHRITJCHSA-N 393.414 5.171 30 40 GKEB C=CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)c2ccccc12 225933361 GZDVSNKULUEDSG-UHFFFAOYSA-N 385.507 6.164 30 40 GKEB CCn1c(N/N=C/c2cccc(OCc3ccc(C)cc3)c2)nc2ccccc21 408692042 CAUIUGJRBRUCCF-PCLIKHOPSA-N 384.483 5.390 30 40 GKEB COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2cccc(Cl)c2Cl)S1 408870006 UXKHBPIFVFDIKR-DHDCSXOGSA-N 393.295 5.202 30 40 GKEB CCOc1ccc(Cl)cc1/C=N\c1cccc(I)c1 409086172 GDECFWPBXMQZIV-ZDLGFXPLSA-N 385.632 5.094 30 40 GKEB Cc1ccc(-n2cccc2/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 409107134 VFRHKEHOVQFENF-FSJBWODESA-N 388.349 5.159 30 40 GKEB O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccccc1F)Nc1ccccc1N2 856584 SZRHPNBUNPFIFI-CRICUBBOSA-N 384.454 5.805 30 40 GKEB COc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(SC(C)C)n2)cc1 2073107 YXLMSSJYVKEMHO-UHFFFAOYSA-N 394.927 6.450 30 40 GKEB Cn1c2ccccc2c2cc(/C=C/C(=O)c3ccc(Br)cc3)ccc21 4733673 DSXYDGVNECQHFA-NTUHNPAUSA-N 390.280 5.990 30 40 GKEB C/C(=N/NC(=S)Nc1ccc(Cl)cc1Cl)c1ccc2ccccc2c1 4897828 UUFCDQIULQQIPQ-FMCGGJTJSA-N 388.323 5.857 30 40 GKEB CN1[C@@H](c2ccccc2)CC(=NOC(=O)c2ccccc2)C[C@@H]1c1ccccc1 4963745 XMEJIFOWMQOPDN-DNQXCXABSA-N 384.479 5.408 30 40 GKEB C=CCOc1ccc(/C=C2\SC(=S)N(c3cc(C)ccc3C)C2=O)cc1 5372135 TZLQSNZOQYHICK-UYRXBGFRSA-N 381.522 5.274 30 40 GKEB C=CCN(C(=O)c1ccc(Br)cc1)c1nc(-c2ccccc2)cs1 5976043 NRZLDYIKQZETMK-UHFFFAOYSA-N 399.313 5.405 30 40 GKEB C=CCOc1c(Br)cc(/C=N/c2ccc(OC)cc2)cc1OCC 6959736 QKEKEDGVFPKQLZ-FYJGNVAPSA-N 390.277 5.172 30 40 GKEB CCOc1cc(/C=N/c2cccc(Cl)c2C)ccc1OCc1cccc(F)c1 6961462 GYUMYCIWJGBZCE-VULFUBBASA-N 397.877 6.516 30 40 GKEB O=C1N/C(=N\c2cccc(Cl)c2)S/C1=C\c1cccn1-c1ccccc1 59678511 ORZDXCALTISMIC-AQTBWJFISA-N 379.872 5.022 30 40 GKEB CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](CO)NC(=O)CCCCC 85482569 NPRJSFWNFTXXQC-KHZUJUORSA-N 397.644 5.662 30 40 GKEB CCCCCCCCCCCC(=O)Nc1ccc(Br)cc1C(=O)O 98043393 MHQVUTSCKGIBEE-UHFFFAOYSA-N 398.341 6.007 30 40 GKEB CCCCCCCC/C=C\CCCCCCCC1=NC(C)(C)CN1C[C@@H](C)O 104326593 PDSMFQXAJKQIOL-WHIOSMTNSA-N 392.672 6.897 30 40 GKEB COc1cccc(Oc2c(N)cc(C#N)n2Cc2ccc(Cl)cc2Cl)c1 225884083 XSBNQPZOKWRFJX-UHFFFAOYSA-N 388.254 5.098 30 40 GKEB C=CCOc1ccc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1OCC 408559853 WUOGLNVCNXBDBC-HXUWFJFHSA-N 389.904 5.082 30 40 GKEB O=C(COc1ccc(/C=N\c2ccc(Cl)c(Cl)c2)cc1)Nc1ccccc1 408803407 ONOFOBXXKFURMP-CFRMEGHHSA-N 399.277 5.762 30 40 GKEB COC(=O)c1ccc(/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1 409236410 FTKYQYCYGRQPSN-YSMPRRRNSA-N 386.426 5.366 30 40 GKEB Cc1ccc(C(C)C)c(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c1 703377 AWAVUXZTOZFZLY-HNNXBMFYSA-N 382.529 5.194 30 40 GKEB CC1(C)CC(=O)C2=C(C1)[C@@H](c1ccc3c(c1)OCO3)Nc1ccc3ccccc3c12 708553 LHXPQLNFYQHLEE-RUZDIDTESA-N 397.474 5.878 30 40 GKEB Cc1cc(C)c2oc(-c3cccc(/N=C/c4c(O)ccc5ccccc45)c3)nc2c1 3108883 ZGFMICMFQOQFMN-JFLMPSFJSA-N 392.458 6.721 30 40 GKEB CCCCCCCCCNc1ncc2c(n1)C[C@@H](c1ccc(OC)cc1)CC2=O 3771444 ZBVAVLXMYPSOAF-LJQANCHMSA-N 395.547 5.560 30 40 GKEB COc1ccc([C@@H](CC/N=C/c2ccccc2O)[C@H]2CCOC(C)(C)C2)cc1 4027840 MFJRMYNIXYXNOJ-BPBPGELDSA-N 381.516 5.199 30 40 GKEB biogenic Cc1c(Cc2ccccc2)c(N2CCC(C)CC2)n2c(nc3ccccc32)c1C#N 4160109 MAKZFPQFPCNKAH-UHFFFAOYSA-N 394.522 5.495 30 40 GKEB Cc1ccc2nc(N/N=C/c3cc4ccccc4[nH]3)nc(-c3ccccc3)c2c1 4812150 YDHHDSRLKBLBCV-MFKUBSTISA-N 377.451 5.533 30 40 GKEB CCc1ccc(C(=O)/C=C/Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 16161443 KLKIQGKLNRVMJF-BQYQJAHWSA-N 387.323 6.095 30 40 GKEB CCCCC1=NN(c2ccccc2)C(=O)/C1=N\c1ccc(N(CC)CC)cc1C 16638656 BFDUEIINBJDHQW-BZZOAKBMSA-N 390.531 5.507 30 40 GKEB Cc1ccc(C)c(NC(=O)CSc2nc3cc(C)c(C)cc3cc2C#N)c1 35288593 UNFFYFMKOCILNQ-UHFFFAOYSA-N 375.497 5.071 30 40 GKEB Cc1s/c(=N\N=C\c2ccc(OCc3ccccc3)cc2)[nH]c1-c1ccccc1 59193826 CAXNYDISVYHEID-PCLIKHOPSA-N 399.519 5.565 30 40 GKEB C=C1[C@@H]2C[C@H](C(=C(c3ccccc3)c3ccccc3)[C@H]2c2ccccc2)C1(C)C 100365990 KERZPJNYRQANFB-WEWMWRJBSA-N 376.543 7.504 30 40 GKEB O/N=C1/CCC=CCC[C@H]1Sc1nc(-c2ccccc2)c(-c2ccccc2)o1 100977149 QOBHJLJXLNHTCW-BFMGTPNZSA-N 390.508 6.430 30 40 GKEB CCCCCCCCCCCCCCCC[C@H](O)c1ccc2ccccc2c1 104096467 MWDWWTGEGYWXPF-MHZLTWQESA-N 382.632 8.745 30 40 GKEB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C 118912968 AARSTNLEOKIRTL-QAKPMDPSSA-N 382.632 7.373 30 40 GKEB C=CCNC(=O)Nc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 408981739 WOENACQYGOPGRM-UHFFFAOYSA-N 392.509 5.394 30 40 GKEB CC(C)n1cc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc21 409098372 ONRMBNMFHRYRSM-AUEPDCJTSA-N 390.365 5.595 30 40 GKEB N#Cc1cccc(Oc2cccc(C(=O)OCc3ccccc3Cl)c2)c1C#N 993109 YBBNPXHNUIUMQU-UHFFFAOYSA-N 388.810 5.233 30 40 GKEB Cc1cccc(-c2nc3cc(/N=C/c4ccc(Cl)c([N+](=O)[O-])c4)ccc3o2)c1 3117097 SWNIVYSMVNTZQH-FSJBWODESA-N 391.814 6.115 30 40 GKEB Brc1cccc(/C=N/c2ccc(-c3nc4ccccc4s3)cc2)c1 3139767 BVJHTJSVLQAWTR-LPYMAVHISA-N 393.309 6.476 30 40 GKEB Cc1c2c(c(C)c3c1[nH]c1ccccc13)[C@H](C#N)N(C(=O)c1ccccc1)C=C2 5648796 JGENIMKZFTZVGX-NRFANRHFSA-N 377.447 5.629 30 40 GKEB Fc1c(F)c(F)c(N/N=C/c2ccccc2OCc2ccccc2)c(F)c1F 6927475 AXXATUFUOCGHHM-NSKAYECMSA-N 392.327 5.407 30 40 GKEB CCc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc(C#N)cc4F)c3)nc2c1 8590922 OTURQPGVJKNYCO-UHFFFAOYSA-N 399.425 5.629 30 40 GKEB Cc1sc(-n2c(C)cc(/C=N/c3ccc(C(=O)O)cc3)c2C)c(C#N)c1C 14135314 VURWGBKUWLCIJP-FOKLQQMPSA-N 377.469 5.093 30 40 GKEB O/N=C1\Cc2ccccc2[C@@H]1Sc1nc(-c2ccccc2)c(-c2ccccc2)o1 16492221 IOGZLUHQFDQWKE-XCQFTPQJSA-N 398.487 6.228 30 40 GKEB C[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(-c4ccccc4)o3)c2C#N)C1 57312807 LHVBWXMWTIFLTN-RZXPCSSPSA-N 388.492 5.656 30 40 GKEB N#C[C@H](C(=O)c1cc2c(s1)CCC2)c1nc2cc(C(F)(F)F)ccc2s1 84452333 KELAXFHTDVOEHK-LLVKDONJSA-N 392.427 5.355 30 40 GKEB CCOC(=O)Cc1ccc(-n2c(C)cc(/C=C/C(=O)c3ccccc3)c2C)cc1 408620348 IJJRYNUKTBKSBQ-NTCAYCPXSA-N 387.479 5.096 30 40 GKEB COc1ccc(N2C3=C(CC4=C2CC(C)(C)CC4=O)C(=O)CC(C)(C)C3)cc1 704441 ZTYBOLHMYUNYAF-UHFFFAOYSA-N 379.500 5.192 30 40 GKEB C=CCOc1ccc(C(=O)Nc2c(C(=O)c3ccccc3)oc3ccccc23)cc1 3655450 KRLDIPGOMAQJTG-UHFFFAOYSA-N 397.430 5.481 30 40 GKEB Fc1ccc(N2C(=S)SC(=N\c3ccccc3)/C2=N\c2ccccc2)cc1 17862281 BHEHJBMUWWKGNG-CBAIGBLSSA-N 391.496 6.124 30 40 GKEB Cc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(C)c1OCc1ccccn1 36832215 QMGVMIHZELWEPE-MDZDMXLPSA-N 388.423 5.082 30 40 GKEB N=C1S/C(=C\c2ccc(OCc3ccccc3)cc2)C(=O)[C@H]1c1nccs1 136204915 OSVBKNKNEZYJEN-NQQPCKHTSA-N 392.505 5.140 30 40 GKEB N#Cc1cn(C(=O)c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)c2ccccc12 226361916 AFAZNOMXSULFND-UHFFFAOYSA-N 391.770 5.023 30 40 GKEB CC(C)c1ccc(C=Nn2c(S)nnc2-c2ccc(C(C)(C)C)cc2)cc1 252429371 IAUGONACZZNFGD-UHFFFAOYSA-N 378.545 5.537 30 40 GKEB Ic1ccccc1/C=N/c1ccc(Oc2ccccc2)cc1 408549917 BMTUWQFBTKBXJC-KGENOOAVSA-N 399.231 5.834 30 40 GKEB Cc1cccc(-n2c(C)cc(/C=N\c3ccc(-n4c(C)ccc4C)cc3)c2C)c1 408763032 DJFFQLIUGSDNCG-PKAZHMFMSA-N 381.523 6.561 30 40 GKEB CC(C)(C)c1ccc(/N=C\c2ccccc2OCc2ccc(C(=O)O)cc2)cc1 408859015 VBPQWBVFAFVFTL-QQXSKIMKSA-N 387.479 6.012 30 40 GKEB C=CCc1cc(CNc2ccc(Oc3ccccc3)cc2)cc(OCC)c1O 409110214 UJJLGBGQDRFSLQ-UHFFFAOYSA-N 375.468 5.924 30 40 GKEB C=CCc1cc(CNc2ccc(Oc3ccccc3)cc2)cc(OC)c1OCC 409112034 AOFVCJQTLHTLIQ-UHFFFAOYSA-N 389.495 6.227 30 40 GKEB Cc1ccc(S(=O)(=O)Oc2cccc(/C=N\c3ccc(C)cc3C)c2)cc1 409212180 PVNLOXQMWKIQLA-HAHDFKILSA-N 379.481 5.130 30 40 GKEB C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCCC3 755276 MHPNJAJNUIWRAB-UHFFFAOYSA-N 398.553 5.003 30 40 GKEB CCOc1cccc(/C=N/c2ccc(-c3nc4cc(Cl)ccc4o3)cc2)c1O 808989 FSLLKAXUIISINM-ZMOGYAJESA-N 392.842 6.003 30 40 GKEB COc1cccc2c1OC1=C(C(=O)CC(C)(C)C1)[C@H]2CC(=O)c1ccc(F)cc1 4778734 AGURVECRTVMSTH-KRWDZBQOSA-N 394.442 5.227 30 40 GKEB CC(C)=CCOc1ccc2c(c1)O/C(=C\c1cccc(Br)c1)C2=O 5139923 JHBINWMPIKZNGC-ODLFYWEKSA-N 385.257 5.410 30 40 GKEB C=C(C)COc1ccc2c(c1C)O/C(=C\c1cn(C)c3ccc(OC)cc13)C2=O 28182477 KCQGVJAOHYWTPL-YVNNLAQVSA-N 389.451 5.066 30 40 GKEB Cc1cc(/N=C/c2cc(Cl)cc(Cl)c2O)ccc1NC(=O)c1ccco1 59477045 LASBWKNDZQEZPU-LSHDLFTRSA-N 389.238 5.603 30 40 GKEB O=[N+]([O-])c1cc(Br)cc(/C=N\c2ccc(Cl)c(Cl)c2)c1O 98064180 SXXQTZWWGCKIGS-FMQZQXMHSA-N 390.020 5.120 30 40 GKEB CC(=O)N(/C(=N/c1ccc(C)cc1)c1cccc2ccccc12)c1ccc(C)cc1 101547931 GZYMHEXNKSJFCR-BYYHNAKLSA-N 392.502 6.588 30 40 GKEB C/N=C1/S/C(=C\c2ccc(C(C)C)cc2)C(=O)N1/N=C/c1ccc(C)cc1 104127223 UCGUIIIWDIAQOG-CTDOEXQLSA-N 377.513 5.055 30 40 GKEB N#Cc1cn(C(=O)c2ccc(-c3ccccc3Br)o2)c2ccccc12 226361756 SHSKIZVCIXNBKT-UHFFFAOYSA-N 391.224 5.224 30 40 GKEB CC/N=C1\S/C(=C\c2cc(C)n(-c3c(C)cccc3CC)c2C)C(=O)N1CC 408851334 BLSXAUFTADMPMX-YKQZMZHDSA-N 395.572 5.277 30 40 GKEB CSc1ccccc1/N=C/c1cc(C)n(-c2ccc(C(=O)O)cc2C)c1C 408914860 ZFTPUXPQWSQWKH-YDZHTSKRSA-N 378.497 5.573 30 40 GKEB C=CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O 409072245 UPPXSCWEAJYZQB-LDADJPATSA-N 385.872 5.141 30 40 GKEB Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2C)cc1 1077606 BATTWXKCODIJDU-DCFHFQCYSA-N 394.518 6.283 30 40 GKEB CCCCCCCCN[C@H](c1ccc(Cl)cc1)[C@H](O)c1ccc(Cl)cc1 1668718 PROPYXUGBLJQGO-FGZHOGPDSA-N 394.386 6.718 30 40 GKEB O=C(Nc1ccc(C(F)(F)F)cc1)C(F)(F)Oc1cccc(C(F)(F)F)c1 3117010 RFDKBWXZVBZPLE-UHFFFAOYSA-N 399.237 5.335 30 40 GKEB N#Cc1ccc(-c2csc(NC(=O)c3ccccc3Oc3ccccc3)n2)cc1 4070006 CZHIGKCMHCRGOF-UHFFFAOYSA-N 397.459 5.726 30 40 GKEB CCOc1cc(/C=N/c2ccccc2C)cc(Cl)c1OCc1cccc(F)c1 6959874 GBCABNOXYSJLSR-VULFUBBASA-N 397.877 6.516 30 40 GKEB C=Cc1ccc(COc2ccc3c(c2)O/C(=C\c2ccccc2OC)C3=O)cc1 12860843 POYGNNCHVBKSIR-OYKKKHCWSA-N 384.431 5.533 30 40 GKEB biogenic Cc1c(/C=N/N=C2\CC[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@]23C)cnn1C 36612997 FTSQLIABFSZKPD-FYYSGHNRSA-N 394.607 5.936 30 40 GKEB C[C@@H](C(=O)Nc1cccc(N/C=C2/C(=O)C=Cc3ccccc32)c1)c1ccccc1 100473271 UADRPWLRVLBVBC-ZDSQJECRSA-N 394.474 5.478 30 40 GKEB in-vitro C=CC/N=c1/scc(-c2cc3ccccc3o2)n1/N=C/c1sccc1C 103371506 GVBZXETYZPTSJE-HCIASNLFSA-N 379.510 5.302 30 40 GKEB Clc1ccc(COc2ccc(/C=N/c3ccccc3)cc2Cl)c(Cl)c1 409209935 HBZVISKNMQXNSU-WYMPLXKRSA-N 390.697 6.976 30 40 GKEB CC(=O)Nc1ccc(Nc2cc(C(C)C)c(C#N)c3nc4ccccc4n23)cc1 1467931 PYTOXTBGLWFKAP-UHFFFAOYSA-N 383.455 5.185 30 40 GKEB C[C@@H]1[C@@H](c2ccccc2)N(C)[C@@H](c2ccccc2)[C@@H](C)C1(O)C#Cc1ccccc1 13151751 HMVLFUWQWMPWKQ-XRPGSSHBSA-N 395.546 5.469 30 40 GKEB CCCCN(CCCC)c1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N 19798614 LQQCMRKLZNBXGY-UHFFFAOYSA-N 383.539 6.694 30 40 GKEB CCOC(=O)c1cc(-c2ccc(/C=C/C(=O)c3ccccc3)o2)ccc1Cl 113856288 SAMSDTBYIQDVAY-FMIVXFBMSA-N 380.827 5.673 30 40 GKEB CC(=O)Nc1ccc(/N=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)cc1 223568801 BIGBHKINVCJJGZ-SCELWYEFSA-N 377.532 5.896 30 40 GKEB CCn1ccc(/C=C2\C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)n1 253505342 ILNJYEIJHGACFY-NTUXPXANSA-N 380.576 5.898 30 40 GKEB CCOc1cccc(/N=C\c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)c1 408842641 BKJJNJIFGBEDAT-CFRMEGHHSA-N 396.874 5.595 30 40 GKEB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/c2ccc(C)cc2C)cc1 409212730 QBFLDMGKWSPGBM-HZHRSRAPSA-N 379.481 5.130 30 40 GKEB CCn1c2ccccc2c2cc(/C=N/c3ccc(Cl)c([N+](=O)[O-])c3)ccc21 727769 JFKNPXXEDRNZSM-YDZHTSKRSA-N 377.831 6.127 30 40 GKEB N#Cc1cc(-c2cccc(Cl)c2)cn(Cc2c(Cl)cccc2Cl)c1=O 3133098 QZISXILIMYJWOD-UHFFFAOYSA-N 389.669 5.395 30 40 GKEB Cc1ccc2oc(-c3cccc(/N=C/c4cc5c(cc4Cl)OCO5)c3)nc2c1 3202505 DZESEBAGZQXUGH-BHGWPJFGSA-N 390.826 5.936 30 40 GKEB N#CCCSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1 5535671 YOQHBCMYEUYBMM-UHFFFAOYSA-N 389.311 5.306 30 40 GKEB Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)ncc1Cl 5930708 VGYGCEJXALZPEL-UHFFFAOYSA-N 375.819 5.026 30 40 GKEB N#Cc1ccccc1CSc1nnc(C(c2ccccc2)c2ccccc2)o1 9199851 HXHCSDUKKICJCT-UHFFFAOYSA-N 383.476 5.414 30 40 GKEB Cc1cc(C)cc(/N=C2\NC(=O)/C(=C/c3cc(Cl)cc(Cl)c3O)S2)c1 59426814 CWSPRKLEXLYEKS-CHHVJCJISA-N 393.295 5.207 30 40 GKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3cccc4ccccc34)c2C)cc1 100212177 HQAQHUMMUUMMIQ-WPWMEQJKSA-N 396.490 6.175 30 40 GKEB CCCCCCCCCCc1ccc(-c2ccc(C(=O)CC(C)=O)cc2)cc1 103007769 CRHMUBDOJPHNAM-UHFFFAOYSA-N 378.556 7.199 30 40 GKEB CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CCC4=C(CC[C@@]4(C)C#CCl)[C@H]3CC[C@@]2(C)C1 253617261 FNGHATOLMPZLFG-XKASOXSWSA-N 388.979 6.231 30 40 GKEB CCCCCCCc1nnc(SCC(=O)Nc2ccc3ccccc3c2)n1C 408561055 XGYJBXIQWQJKGE-UHFFFAOYSA-N 396.560 5.212 30 40 GKEB C[C@@H]1CCc2c(sc(NC(=O)c3ccc(-c4cccc(Cl)c4)o3)c2C#N)C1 408628801 AQLCVOCHAWVUGS-GFCCVEGCSA-N 396.899 5.910 30 40 GKEB Cc1cc(NC(=O)c2ccc(C#N)cc2F)ccc1-c1cc2ccccc2oc1=O 408629189 OROLUVUIQGIBJT-UHFFFAOYSA-N 398.393 5.032 30 40 GKEB O=C1NC(=Nc2cc(Cl)ccc2Cl)S/C1=C/c1ccc(Cl)cc1 408748243 AQRMBWGPVAVXEW-VGOFMYFVSA-N 383.687 5.538 30 40 GKEB CCCN1C(=O)/C(=C\c2ccc(O)c(OCC)c2)S/C1=N\c1ccc(C)cc1 408915949 SHSGIUBQUZGHLV-QNQNADBQSA-N 396.512 5.113 30 40 GKEB CC(C)CCC(=O)O[C]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 1560408695 UYLBAMDIWBCHSG-KKYXJMJZSA-N 385.568 6.030 30 40 GKEB COc1cccc(/C=N/c2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)s2)c1 3176944 YTRTYQMZWJLEOO-AUEPDCJTSA-N 396.821 6.242 30 40 GKEB Fc1cccc(/C=N/Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)c1 5066986 YCNQRTRMGUWODJ-ZMOGYAJESA-N 376.822 5.535 30 40 GKEB CC(C)(C)c1ccc(-c2nnc(SCCC#N)n2Cc2ccccc2)cc1 6839555 DUEZIVGXDIJLIN-UHFFFAOYSA-N 376.529 5.297 30 40 GKEB CCOc1cc(/C=C/C(=O)c2ccc(OCCC(C)C)cc2)cc(Cl)c1O 13039398 IUDAWRGQPWAHES-BJMVGYQFSA-N 388.891 5.765 30 40 GKEB Cc1cccc(C(=O)/C=C\Nc2cc(Cl)ccc2C(=O)c2ccccc2)c1 16349023 XINUBOOGKQJVOW-SEYXRHQNSA-N 375.855 5.688 30 40 GKEB O=C1/C(=C/c2ccc([N+](=O)[O-])o2)S/C(=N/c2ccccc2)N1C1CCCCC1 16451048 QJWBXOCIXSSBQN-VYHRCCAKSA-N 397.456 5.125 30 40 GKEB c1ccc(N/N=C2\CCCC[C@@]23C[C@H]2CCCCC2=NN3c2ccccc2)cc1 17206422 ZWMBAKDHUIYDKE-FZDLXDMDSA-N 386.543 6.224 30 40 GKEB O=C1N/C(=N\c2ccc(Cl)cc2)S/C1=C\c1cccn1-c1ccccc1 18325320 GNBPGBOTGRPARZ-AQTBWJFISA-N 379.872 5.022 30 40 GKEB Clc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1 59471636 KELVDCOUUNGIGF-QDMJJKQJSA-N 384.910 6.917 30 40 GKEB CCOc1ccc2ccccc2c1/C=C1/S/C(=N\c2ccc(C)cc2)NC1=O 83292148 NWAWYFBNOKIBAK-KGENOOAVSA-N 388.492 5.439 30 40 GKEB CCCCCCCNc1nc(C)nc2c1sc1nc3c(cc12)COC(C)(C)C3 97952363 SZGIDGGNXOLQKL-UHFFFAOYSA-N 398.576 5.782 30 40 GKEB COc1ccc(/N=C/C=C(/Sc2nc3ccccc3[nH]2)c2ccccc2)cc1 100405301 BDRKGYXCBVIYDH-JJOJRSAGSA-N 385.492 6.107 30 40 GKEB C=C(C)[C@@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@H]3CC(=O)CC[C@]34C)[C@H]12 118915833 JMNNBGGLFDJNBE-PWENUOQHSA-N 396.659 7.597 30 40 GKEB CC(C)COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)c(C#N)c1 225683880 QSJPFXPMUYNHLJ-UHFFFAOYSA-N 380.463 5.183 30 40 GKEB COC(=O)c1cccc(Cn2cc(/C=N/c3ccc(C)cc3)c3ccccc32)c1 408541220 FIGRLQAWMOTUKN-CVKSISIWSA-N 382.463 5.535 30 40 GKEB COc1ccc2c(c1)OCc1sc(/N=C/c3c(Cl)cccc3Cl)nc1-2 408723669 ZLMKULXRDCITPB-ODCIPOBUSA-N 391.279 5.769 30 40 GKEB Cc1cc(/C=N/c2cc(C(=O)O)ccc2Cl)c(C)n1-c1cccc([N+](=O)[O-])c1 408773741 TUAFTYCHJXFTOG-SSDVNMTOSA-N 397.818 5.105 30 40 GKEB COc1cc(/C=N\c2ccc(Cl)cc2)ccc1OCc1cccc(C(=O)O)c1 408858415 YYCJTOREXQVYDT-CFRMEGHHSA-N 395.842 5.376 30 40 GKEB C=CCOc1c(Br)cc(CNc2ccccc2)cc1Br 409110732 YIIMJQHELJDZPE-UHFFFAOYSA-N 397.110 5.389 30 40 GKEB N#Cc1ccccc1CN1C(=O)S/C(=C\c2ccc(-c3ccccc3)o2)C1=O 409161091 WIXYPPHODPMBLA-NDENLUEZSA-N 386.432 5.055 30 40 GKEB Cc1cc(C)c(C#N)c(NC(=O)c2ccccc2SCc2ccc(F)cc2)c1 981526 QSKQPRNVEUDWLV-UHFFFAOYSA-N 390.483 5.859 30 40 GKEB Cc1c(C(=O)OC(C)C)sc(NC(=O)/C=C/c2ccc(C(C)C)cc2)c1C#N 997000 XFAWBOMLZBKDQQ-DHZHZOJOSA-N 396.512 5.269 30 40 GKEB CCCOc1ccc(C(=O)O/N=C(\C)c2ccc(C3CCCCC3)cc2)cc1 4651755 PNAJXAFDARWKGV-XIEYBQDHSA-N 379.500 6.104 30 40 GKEB CN(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 6637549 AEGMPBQFXVBZTE-HMAPJEAMSA-N 385.419 5.030 30 40 GKEB C=CCn1c(/N=C/c2ccc(OCCCCCCCC)cc2)nc2ccccc21 8399515 VLCFGIMLQRRYQJ-LHLOQNFPSA-N 389.543 6.712 30 40 GKEB Cc1ccc2c(c1)N[C@@H](c1ccc(N(C)C)cc1)C1=C(CC(C)(C)CC1=O)N2 9553572 UPSGOGQPPFIFLB-QHCPKHFHSA-N 375.516 5.283 30 40 GKEB Fc1c(F)c(C(F)(F)F)c(F)c(F)c1N/N=C\c1c[nH]c2ccccc12 12360150 FUWNJKLHICLIPY-HGBQSQDTSA-N 375.247 5.189 30 40 GKEB CCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(F)cc1 18276102 DINDKYCVVXFCMR-QHCPKHFHSA-N 378.447 5.133 30 40 GKEB Brc1ccc(-c2ccc(/C=N\Nc3nc4ccccc4s3)o2)cc1 33398946 VWAGWNJPAJZIDX-JAIQZWGSSA-N 398.285 5.765 30 40 GKEB CCCCCCCCCCCOC(=O)c1ccccc1NC(=O)c1ccccc1 98001369 IPVCYQBODGZEAP-UHFFFAOYSA-N 395.543 6.627 30 40 GKEB biogenic N#Cc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@@H]21 408754324 MRILEVWWKGSOQG-BIENJYKASA-N 386.238 5.600 30 40 GKEB CCN1C(=O)/C(=C\c2ccc(C)c(OC)c2)S/C1=N\c1c(C)cccc1C 408914665 WZKKTSFWKZFUMF-NMSSZPRHSA-N 380.513 5.244 30 40 GKEB C#Cc1cc(-c2ccc(C(=O)OCC)cc2)cc(-c2ccc(C(=O)OCC)cc2)c1 2048475409 OLLKWFSSTKMROR-UHFFFAOYSA-N 398.458 5.355 30 40 GKEB Cc1cc(C)c2oc(-c3cccc(/N=C/c4cc([N+](=O)[O-])ccc4O)c3)nc2c1 3108872 GNQXQXAFKNOPMD-FSJBWODESA-N 387.395 5.476 30 40 GKEB COc1c(Br)cc(Br)cc1/C=N/c1cccc(C)c1C 5419188 HYHSIZVFIFHGTF-DJKKODMXSA-N 397.110 5.588 30 40 GKEB Cc1n(C(F)F)c2ccccc2[n+]1CC(=O)c1ccc(Oc2ccccc2)cc1 6391831 NLXVKRPHVMUBRC-UHFFFAOYSA-N 393.413 5.308 30 40 GKEB C=CCOc1c(Br)cc(/C=N/c2cccc(C)c2C)cc1OCC 6959747 SLIOKMPOWOVTRB-LPYMAVHISA-N 388.305 5.780 30 40 GKEB C=CCOc1ccc(CN(C)C(=O)c2oc3ccccc3c2CSC)cc1 9449382 CJWQJXLKTKNENV-UHFFFAOYSA-N 381.497 5.133 30 40 GKEB O=C1/C(=C/c2ccccc2Cl)S/C(=N\c2ccccc2)N1c1ccccc1 12375814 WFJWVZZIJGJNSK-WELATPIXSA-N 390.895 6.149 30 40 GKEB Clc1ccc(COc2ccc(/C=N/Nc3nc4ccccc4[nH]3)cc2)cc1 12967314 KSALMCYUAHPUPQ-YDZHTSKRSA-N 376.847 5.241 30 40 GKEB C=C(C)C[C@H]1N[C@H]2CC(C)(C)[C@@H]1c1c(Br)ccc(Br)c12 19691568 LQZVTORZIAYQLZ-WWGRRREGSA-N 399.170 5.704 30 40 GKEB CCCCOc1ccc2nccc(N/N=C\c3ccc(OC)c4ccccc34)c2c1 31769288 RLNBMMMNYCWYPH-PKAZHMFMSA-N 399.494 6.022 30 40 GKEB C[C@@H](/C(O)=N/c1nc(-c2ccc(F)c(F)c2)cs1)N(C)Cc1ccccc1 49595344 XPWFVXPFZHLKHB-ZDUSSCGKSA-N 387.455 5.197 30 40 GKEB COc1c(C)cccc1C(=O)Nc1c(C)cc2nc(NN=C(C)C)sc2c1C 72228747 OVNATBSJNITZHN-UHFFFAOYSA-N 396.516 5.290 30 40 GKEB CCCCCCCCCCCC[C@@](O)(CC)c1cccc(Br)c1 101016680 CJHRLGXJNXRGLT-NRFANRHFSA-N 383.414 7.358 30 40 GKEB CN1/C(=C/C=N/c2cc(Cl)c(Cl)cc2Cl)C(C)(C)c2ccccc21 103454410 FRYJVJRAJQDRLR-ZIHMVEEZSA-N 379.718 6.661 30 40 GKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc(C)c(Cl)c3)c2C)c1 138230016 JWADNUREPDOXQJ-AFUMVMLFSA-N 394.902 5.983 30 40 GKEB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)c(C#N)c1 225680592 LOLMNKBWJKUDIR-GOSISDBHSA-N 376.500 5.495 30 40 GKEB CCN(CCC#N)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1 254614976 KHZRTXVUEZJYNE-UHFFFAOYSA-N 392.246 6.057 30 40 GKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3oc(C)c(C)c3C#N)c2C)cc1 408591419 SYNVVNWGNUBYQZ-DHRITJCHSA-N 389.455 5.103 30 40 GKEB S=C(NN=C/C=C(/Cl)c1ccc(Cl)cc1)Nc1ccccc1Cl 575628266 YFADJEZZJSEKLP-OTQCRUNXSA-N 384.719 5.546 30 40 GKEB CC[C@@H](C)Oc1ccccc1/C=N/n1c(-c2ccccc2)nc2ccccc2c1=O 1531384924 NVSZAPITJJKWGW-WNIQNGNASA-N 397.478 5.123 30 40 GKEB C=COC(=O)CSc1nc(-c2cccs2)cc(-c2cccs2)c1C#N 989284 FFIOJHRDYYAGEZ-UHFFFAOYSA-N 384.507 5.189 30 40 GKEB Cc1cc2cc(C#N)c(SCC(=O)Nc3c(C)cccc3C)nc2cc1C 1354504 UKINSMVCOLVTQS-UHFFFAOYSA-N 375.497 5.071 30 40 GKEB Cc1ccccc1Cn1cc(/C=N/N=c2/[nH]c3ccccc3s2)c2ccccc21 1862851 CIHDKOBFNZHWJO-AFUMVMLFSA-N 396.519 5.476 30 40 GKEB O=[N+]([O-])c1cc(Cc2ccccc2)cc(/C=N/c2cccc3ccccc23)c1O 2056860 OSLAZWUQKDAAPD-PCLIKHOPSA-N 382.419 5.795 30 40 GKEB O=C(Oc1ccco1)c1ccc(/C=N/c2cc(-c3ccccc3)ccc2O)cc1 3033539 WEGQIRGZJJCLPQ-PCLIKHOPSA-N 383.403 5.622 30 40 GKEB O=[N+]([O-])c1cc(/C=N/c2ccc(-c3nc4ccccc4o3)cc2)cc([N+](=O)[O-])c1 3115428 SQEWOZPTAYVXKQ-CIAFOILYSA-N 388.339 5.062 30 40 GKEB Clc1ccc(/C=N/OCO/N=C/c2ccc(Cl)cc2Cl)c(Cl)c1 3660172 AYMBQHRDGSBNHZ-BPYXDGQXSA-N 392.069 5.659 30 40 GKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)C34CC5CC(CC(C5)C3)C4)c2C#N)C1 4611956 AJHWFZCYBJCFIS-IEEVTGIFSA-N 396.600 5.926 30 40 GKEB CC(C)c1ccc(/C=C2/S/C(=N/N=C3\C[C@H]4CC[C@]3(C)C4(C)C)NC2=O)cc1 4628436 PFCOYQMSNQEBGY-AGOICEIYSA-N 395.572 5.572 30 40 GKEB O=C(/C=C\c1ccc(OCc2ccccc2)cc1)c1ccc(C(F)(F)F)cc1 5649220 HDZNSWJRJJAEEI-NVNXTCNLSA-N 382.381 6.181 30 40 GKEB COc1ccc(C(=O)/C=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)cc1 7939558 ZFMCSORJXPMFLQ-JXMROGBWSA-N 383.787 5.413 30 40 GKEB O=C(/C(Br)=C\c1ccccc1)/C(Br)=C\c1ccccc1 17429823 SJEVIRRLNSMNAS-JOBJLJCHSA-N 392.090 5.428 30 40 GKEB O=C(Nc1ccccc1)c1c(/N=C/c2ccccc2O)sc2c1CCCC2 18173447 YHOMPCJATDZAAX-OEAKJJBVSA-N 376.481 5.335 30 40 GKEB Cc1nn(C)cc1/C=N/N=C1\CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]12C 36613048 XKGJSFZJELCKIZ-RABSKJNESA-N 394.607 5.936 30 40 GKEB Cc1cc2c(cc1C)CN(c1ccc(/C=N/c3ccc4ccccc4c3)cc1)C2 59501494 SAGSZHAQLWEMQJ-LQKURTRISA-N 376.503 6.727 30 40 GKEB CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCC(=O)OC 104338810 ADNJZADEVPMPII-UHFFFAOYSA-N 398.696 7.278 30 40 GKEB CC1=CC(C)(C)N(C)c2ccc(/C=N/c3ccc(Oc4ccc(C)cc4)cc3)cc21 198147097 WMJGFUCRQMIOPL-MTDXEUNCSA-N 396.534 7.170 30 40 GKEB CC(C)COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1C#N 225762840 LJKQWIGYFYLJKL-UHFFFAOYSA-N 394.490 5.573 30 40 GKEB C#CCOc1c(Cl)cc(CNc2ccc(Cl)cc2Cl)cc1OCC 408603008 AFJKMCJCMNZALB-UHFFFAOYSA-N 384.690 5.670 30 40 GKEB CC[C@@H](C)N1C(=O)/C(=C\c2cccc(OC)c2)S/C1=N\c1ccc(C)cc1 408912710 LOWSDLXQIRCCEI-SGOKGXKRSA-N 380.513 5.406 30 40 GKEB N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccc(-c3ccccc3)cc2)C1=O 409174948 WKUOCWYUFCBOOT-HYARGMPZSA-N 396.471 5.462 30 40 GKEB Cc1ccc(Sc2ccc(/C=N/c3ccc(Cl)c([N+](=O)[O-])c3)cc2)cc1 409231863 LDRLCISUXLUYDP-LPYMAVHISA-N 382.872 6.458 30 40 GKEB CCN(CC)c1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC3)cc1 1441999 APOZECGWNFAEBS-AREMUKBSSA-N 382.507 5.969 30 40 GKEB C=CCOc1ccc2c(=O)c(Oc3cccc(C)c3)c(C(F)(F)F)oc2c1 1770009 RTNXAONUQVUNHI-UHFFFAOYSA-N 376.330 5.477 30 40 GKEB biogenic CCCCc1ccc2nccc(N/N=C/c3ccc(OC)c4ccccc34)c2c1 5499297 OVHKMDYNSDTOLJ-WPWMEQJKSA-N 383.495 6.185 30 40 GKEB Cc1ccc(C(=O)O/N=C(\c2ccc(F)cc2)[C@H]2C[C@@H]2c2ccc(C)cc2)cc1 5617841 FDJQKCHTNAWAAI-UXHOKJDVSA-N 387.454 5.807 30 40 GKEB CN(Cc1ccc(F)cc1)C(=O)c1ccccc1Sc1ccccc1C#N 6881979 SIAMEIBJUBKSAQ-UHFFFAOYSA-N 376.456 5.121 30 40 GKEB COc1cc(C#N)ccc1O[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 7470597 ACQWJAQYUWMNFU-DEOSSOPVSA-N 382.419 5.051 30 40 GKEB COc1cc(/C=N/c2ccccc2C)cc(Cl)c1OCc1ccc(F)cc1 8570825 XBLKQMIZHZIKBP-DHRITJCHSA-N 383.850 6.126 30 40 GKEB CC(=O)Nc1ccc(S[C@@H](C)C(=O)/C=C2/N(C)c3ccccc3C2(C)C)cc1 11392490 UQLJZOYIIFJPSV-WXUSHSQQSA-N 394.540 5.006 30 40 GKEB CCCCCCOc1ccc(/C=N\N=C(/S)Nc2ccccc2)cc1OC 12374264 LKSKNWGUNPEARU-JWGURIENSA-N 385.533 5.386 30 40 GKEB CCCCCCCCC[C@H]1C[C@H]1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 100052395 RTQFMHKEIOUPDD-PSYPFIQXSA-N 391.559 7.817 30 40 GKEB C=C1CC[C@@H](O)C/C1=C\C=C1\CCC[C@]2(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]12 100603929 QYSXJUFSXHHAJI-AMHIBKPQSA-N 384.648 7.619 30 40 GKEB CCCCCCCC/C=C/CCCCCCCC1=NC(C)(C)CN1C[C@H](C)O 104326604 PDSMFQXAJKQIOL-OTOIZHKDSA-N 392.672 6.897 30 40 GKEB CCCCN1C(=O)/C(=C\c2ccccc2OCC)S/C1=N\c1ccc(C)cc1 408907935 CMVBHZXSIACALP-RERTVAKNSA-N 394.540 5.798 30 40 GKEB O=[N+]([O-])c1ccccc1-c1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2)o1 408931902 RUNWDVOWWUFTOP-SSDVNMTOSA-N 375.306 5.320 30 40 GKEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3cc(Cl)ccc3C)c2C)c(C)c1 408936318 PDCRHGJYRBUBEJ-DHRITJCHSA-N 394.902 5.902 30 40 GKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N\c3ccc(N(C)C)cc3)c2C)c1 408965834 IYCILOJUNHMUIZ-XYGWBWBKSA-N 389.499 5.087 30 40 GKEB C=CCOc1ccc(CNc2ccc(Cl)c(Cl)c2)cc1Br 409206765 XMTBSVMXBSLYRS-UHFFFAOYSA-N 387.104 5.933 30 40 GKEB Cc1cc(Cl)ccc1-c1ccc(/C=N/c2ccc(N3CCOCC3)cc2)o1 824715 FVQVIDPORXUWPA-BUVRLJJBSA-N 380.875 5.496 30 40 GKEB CC(C)(C#CC(C)(C)OC(=O)Nc1ccccc1)OC(=O)Nc1ccccc1 1689110 XJZFCYQCNPRSST-UHFFFAOYSA-N 380.444 5.044 30 40 GKEB CC(C)(C)c1ccc(-c2nc3cc(/N=C/c4ccc([N+](=O)[O-])cc4)ccc3o2)cc1 3162687 PLTUGVPAWOJUBP-MFKUBSTISA-N 399.450 6.451 30 40 GKEB C#CCOc1c(Br)cc(/C=N/c2ccc(C)cc2C)cc1OCC 6959235 FPYILFZAMXVQQK-LPYMAVHISA-N 386.289 5.227 30 40 GKEB O=C1/C(=C/c2c(F)cccc2Cl)Oc2cc(OCc3ccccc3)ccc21 13778401 MNQLXRXAWNWWMY-MTJSOVHGSA-N 380.802 5.674 30 40 GKEB Cc1cc(C)c2oc(-c3cccc(NC(=O)c4ccc(C#N)cc4F)c3)nc2c1 16268793 SIXFTFUPDLCLSJ-UHFFFAOYSA-N 385.398 5.375 30 40 GKEB CCCCCCCCCCCCCCCCCC(=O)OCc1ccc(CO)o1 100396715 PQQIFSDXMQFTQX-UHFFFAOYSA-N 394.596 7.077 30 40 GKEB CCOc1cc(/C=C/C(=O)c2ccccc2)cc(Br)c1OCC 113853206 XGVIBKDFADWMKJ-ZHACJKMWSA-N 375.262 5.143 30 40 GKEB Cc1cc(C)cc(-c2nc3cc(NC(=O)c4ccc(C#N)cc4F)ccc3o2)c1 408623469 UMIRZVYGSLDELI-UHFFFAOYSA-N 385.398 5.375 30 40 GKEB CCCCCCCCCCCCNC(=O)C(=O)Nc1ccc(OCCC)cc1 408707395 ADLSOBOOAMSXPB-UHFFFAOYSA-N 390.568 5.451 30 40 GKEB C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@@]2(O)C#Cc1ccccc1 2049238466 XROIWEWUVSAKIJ-UYCVUEBFSA-N 390.567 5.093 30 40 GKEB O=C1CCCC2=C1[C@H](c1cccc3ccccc13)c1c(ccc3ncccc13)N2 1102633 BAZLOKIYWAXCSH-RUZDIDTESA-N 376.459 5.953 30 40 GKEB Cc1ccc2oc(-c3cccc(/N=C/c4ccc(Cl)c([N+](=O)[O-])c4)c3)nc2c1 3085049 HMYZLJMNZIJNCW-FSJBWODESA-N 391.814 6.115 30 40 GKEB CCOC(=O)c1cc(C#N)c2c(-c3ccc4ccccc4n3)cc3ccccc3n12 4575262 MRNPIALKJVVIDX-UHFFFAOYSA-N 391.430 5.356 30 40 GKEB Cc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Br)cc1 4713909 MKJRXMUFBVZDJK-CIAFOILYSA-N 398.260 5.515 30 40 GKEB Oc1ccc(Br)cc1/C=N/Nc1c(Cl)cc(Cl)cc1Cl 5567650 UTPRIMKEZHMSFA-NGYBGAFCSA-N 394.483 5.561 30 40 GKEB C=CCOc1c(Cl)cc(CN[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1OC 8497289 ACZDRBMOFGSWNJ-SCUMNGBJSA-N 389.967 5.608 30 40 GKEB Cc1ccc(N[P@+](c2ccncc2)(N2CCCC2)C(C)(C)C)cc1Cl 9130862 VZMMYHRUNPTZHO-RUZDIDTESA-N 376.892 5.523 30 40 GKEB O=C(/C=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21)c1cccs1 15109913 XUWLFTAAJBOJRM-ATVHPVEESA-N 379.868 5.215 30 40 GKEB C/C(=N/N=C(\C)c1cccc(Br)c1)c1cccc(Br)c1 16978705 VRWSAXLOCVJMGX-UHWBUFEVSA-N 394.110 5.445 30 40 GKEB O=[N+]([O-])c1ccc(/C=N/[C@@H]2CCCc3c2[nH]c2ccc(Br)cc32)cc1 18046254 FEDSOFNUAPJYJU-PGNNWUFWSA-N 398.260 5.335 30 40 GKEB CCCCN(CCCC)Cc1c(O)ccc2c1O/C(=C\c1ccc(C)o1)C2=O 20647350 MARUDRBVLWYMLQ-STZFKDTASA-N 383.488 5.312 30 40 GKEB C=CCn1c(SCc2ccc(Br)s2)nnc1-c1ccccc1 95956129 DSWHATUROCYRGW-UHFFFAOYSA-N 392.347 5.247 30 40 GKEB Cc1cc2c(cc1C)CN(c1ccc(/N=C/c3c(O)ccc4ccccc34)cc1)C2 100102509 ZIHWHMUZDQLHKC-RWPZCVJISA-N 392.502 6.433 30 40 GKEB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/Nc1sc2ccccc2c1C#N 100931060 ZWWMSOMIGJRVFQ-GZTJUZNOSA-N 392.871 5.145 30 40 GKEB CCCCCCCCS(=O)(=O)Nc1ccccc1/C(=N/O)c1ccccc1 100959424 ZFHJZFHJXUPLLP-QURGRASLSA-N 388.533 5.015 30 40 GKEB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C/c1ccccc1)C2=O 118919515 XVNNBSPKVRWTLT-ZVWCKUMYSA-N 378.556 5.653 30 40 GKEB C=CCN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc2ccccc2c1 225063678 KSXJUUZNAJIKTL-UHFFFAOYSA-N 392.307 5.528 30 40 GKEB C=CCOc1ccc(NC(=S)NC2(c3ccc(OC)cc3)CCCC2)cc1 225868103 XLIDBUIKPWNBLI-UHFFFAOYSA-N 382.529 5.016 30 40 GKEB Cc1[nH]c2ccccc2c1/C=N/c1ccc(-c2nnc(-c3ccccc3)o2)cc1 408718021 CGZUDBAUWJAPDE-MFKUBSTISA-N 378.435 5.944 30 40 GKEB FC(F)(F)c1ccc(N/N=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 408931326 KBDJMYCDTOXKQJ-VROXFSQNSA-N 399.199 6.718 30 40 GKEB C=CCOc1c(Br)cc(CNc2ccc(C)cc2C)cc1OCC 409120848 VFZPXEVBFZRQTJ-UHFFFAOYSA-N 390.321 5.642 30 40 GKEB Cc1ccc(-c2ccc(/C=N/c3cccc(C(=O)O)c3)o2)c(Br)c1 409241995 ZSJYXXRIOKVBCF-SRZZPIQSSA-N 384.229 5.466 30 40 GKEB Cc1c(/N=C/c2ccc(-c3cccc(Cl)c3)o2)c(=O)n(-c2ccccc2)n1C 872918 KYQAAPHJRDNBCJ-ZVHZXABRSA-N 391.858 5.148 30 40 GKEB O=[N+]([O-])c1cccc(/C=C/C=N/c2ccc(O)c(-c3nc4ccccc4o3)c2)c1 3025719 XWZHQEMGMFFVNT-KUZNRIHWSA-N 385.379 5.524 30 40 GKEB FC(F)(F)c1cccc(N2CCC(/N=C/c3ccc(Br)cc3)=N2)c1 3218800 FHVPOTYPVCXZTB-SSDVNMTOSA-N 396.210 5.111 30 40 GKEB C=CCOC(=O)c1c(C)nc2sc3c(c2c1-c1ccc(C)cc1)CCCC3 3351000 NMPPNBZTHIJUDK-UHFFFAOYSA-N 377.509 5.802 30 40 GKEB COc1ccc(/C=N/CC[C@H](c2ccccc2OC)[C@H]2CCOC(C)(C)C2)cc1 4027013 WUVVKZOGORTHGC-ULPINFHUSA-N 395.543 5.502 30 40 GKEB biogenic CCOc1cc(/C=N/c2cc(C)ccc2C)ccc1OCc1cccc(Cl)c1 6961406 HERIYWHUJONJEZ-CVKSISIWSA-N 393.914 6.685 30 40 GKEB C[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@@H]2c1ccco1 17015515 CDCCTBKHXGWFTL-UPCLLVRISA-N 398.462 5.346 30 40 GKEB CCOC(=O)c1ccc(/N=N\c2ccc(N(CCC#N)CCC#N)cc2C)cc1 17719545 DXZDIMFXDBISEA-QPLCGJKRSA-N 389.459 5.221 30 40 GKEB CCSC1=C(C(=O)c2ccccc2)C(=O)C[C@H](c2ccccc2Cl)S1 26896833 NIEWCTUQSPMATF-QGZVFWFLSA-N 388.941 5.935 30 40 GKEB COc1ccccc1[C@H](CC/N=C/c1ccccc1O)[C@H]1CCOC(C)(C)C1 100744488 RFBQGXKIZQGLDS-XLHPUGLWSA-N 381.516 5.199 30 40 GKEB biogenic CCCCCCCCCCCCCCCCCCCOC(=O)n1cccc1 102060545 BWGKWEUKSPWRDJ-UHFFFAOYSA-N 377.613 8.124 30 40 GKEB CCN1c2cc(C)c(/C=N/c3ccc(NC(C)=O)cc3)cc2[C@H](C)CC1(C)C 198103036 XDGVXBWEAVKVQD-SCELWYEFSA-N 377.532 5.816 30 40 GKEB CC/N=C1\S/C(=C\c2cc3c(cc2C)N(CC)C(C)(C)C=C3C)C(=O)N1CC 223499264 AWFFDPKGOZHNDB-AQWOHROKSA-N 397.588 5.329 30 40 GKEB Cc1ccc(/N=C\c2cc([N+](=O)[O-])ccc2Sc2nc(C)cc(C)n2)cc1 409109396 CURYIXFORUUKIJ-MTJSOVHGSA-N 378.457 5.212 30 40 GKEB CN1/C(=C\C=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)Sc2ccccc21 685944436 LSNOHJMQIPGIAK-FYJGNVAPSA-N 379.569 6.524 30 40 GKEB CCN(CC)c1ccc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CCC3)cc1 885431 JKNGCCJJFHGVPD-AREMUKBSSA-N 397.522 5.754 30 40 GKEB O=C1/C(=C/c2cccc(Cl)c2)S/C(=N\c2ccccc2)N1Cc1ccco1 979862 GYONDRBBSNEUSG-QFGKFHJGSA-N 394.883 5.737 30 40 GKEB CC(=O)Oc1oc(-c2ccccc2)nc1/C=N/c1cccc2c(C)cc(C)nc12 1107315 RZQZQDGGVPOCLY-ZMOGYAJESA-N 385.423 5.183 30 40 GKEB O=C(N(C1CCCCC1)C1CCCCC1)C(F)(F)C(F)(F)C(F)(F)F 1790159 WMHGSOYODMNMSD-UHFFFAOYSA-N 377.344 5.313 30 40 GKEB S/C(=N\N=C\c1ccc(OCc2cccc(Cl)c2)cc1)Nc1ccccc1 1969739 LAMKKBNLZPAXSQ-OEAKJJBVSA-N 395.915 5.651 30 40 GKEB COc1cc([C@@H]2Sc3ccccc3NC3=C2C(=O)CC(C)(C)C3)ccc1O 4384817 YLHCSTUCMOQAER-NRFANRHFSA-N 381.497 5.303 30 40 GKEB CCOc1cc(/C=N/c2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1 4703708 LIEOLSWXXQOVGL-PCLIKHOPSA-N 388.467 5.162 30 40 GKEB C/C(=N\Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)Nc1ccccc1S2 4868820 FBNMBAWDYIJJMH-LPYMAVHISA-N 376.441 5.639 30 40 GKEB Cc1c(/C=C2/S/C(=N\c3ccc(Cl)cc3)NC2=O)c2ccccc2n1C 5570487 XMYVAATVLSMAQY-WOJGMQOQSA-N 381.888 5.032 30 40 GKEB CCOc1ccc(/N=C/c2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1 6962511 QZDSXNJKFUVIFO-AFUMVMLFSA-N 383.850 6.207 30 40 GKEB Cc1c(Cl)cccc1/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 8277973 DAVSSBVYIWIPHP-ZVHZXABRSA-N 378.859 5.417 30 40 GKEB Clc1cccc(COc2cccc(/C=N/NCc3ccccc3Cl)c2)c1 8811831 FHNMQUMGZYVHPQ-ZMOGYAJESA-N 385.294 5.696 30 40 GKEB CC(C)(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O 9306628 WTDLUEAZNKKYSQ-YVLHZVERSA-N 391.250 5.561 30 40 GKEB N#Cc1c(N)nc(SCc2ccc(Cl)cc2)c(C#N)c1-c1cccs1 20462889 DVHREOQLTPHFBI-UHFFFAOYSA-N 382.901 5.081 30 40 GKEB CCCCCCCSc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCC3 97952575 IZFFOQWCMAAXMH-UHFFFAOYSA-N 399.629 6.914 30 40 GKEB Cc1ccc(C(=O)Oc2ccc(/C=N/c3ccc(F)c([N+](=O)[O-])c3)cc2)cc1 100134786 CJUFHJCSXMROMQ-YDZHTSKRSA-N 378.359 5.012 30 40 GKEB CC(C)(C)c1cc(/C=N\NC(=S)Nc2ccccc2)cc(C(C)(C)C)c1O 104094612 QGSOWXMFJCBIBB-UCQKPKSFSA-N 383.561 5.308 30 40 GKEB CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)cc1C#N 225823956 LPIUXLGDZOTPCZ-UHFFFAOYSA-N 388.552 5.399 30 40 GKEB CCCCN1C(=O)/C(=C\c2ccc(C(C)C)cc2)S/C1=N\c1ccc(C)cc1 408916038 TZLKOPNYXUHQIN-FTJNEJEMSA-N 392.568 6.523 30 40 GKEB C=CCN1C(=O)S/C(=C/c2ccccc2OCc2ccccc2Cl)C1=O 409069565 VYRZAGLXBPOKPF-LDADJPATSA-N 385.872 5.141 30 40 GKEB O=[N+]([O-])c1ccc(/N=C\c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)cc1 409081605 QKGYKWFJBUHYJK-OYKKKHCWSA-N 376.456 5.519 30 40 GKEB C=CCOc1c(Cl)cc(CNc2ccc(Oc3ccccc3)cc2)cc1OC 409119560 PPEIDRUZWVTOAC-UHFFFAOYSA-N 395.886 6.318 30 40 GKEB Fc1cccc(COc2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2)c1 409214766 YPWSWGCYUKESEE-MTDXEUNCSA-N 397.449 6.948 30 40 GKEB COC(=O)c1ccc(C)c(/N=C/c2ccc(Sc3ccc(C)cc3)cc2)c1 409244971 LLXHUETUNZFUCX-BUVRLJJBSA-N 375.493 5.992 30 40 GKEB C=C[C@H](c1ccccc1)N(Sc1ccccc1)N1C(=O)c2ccccc2C1=O 704353 UHFCQLTVBNPPMG-OAQYLSRUSA-N 386.476 5.134 30 40 GKEB Cc1c(C=C2C(=O)c3ccccc3C2=O)cc(-c2ccccc2)n1-c1ccccc1 980630 BBNBKEUAYMGWDK-UHFFFAOYSA-N 389.454 5.915 30 40 GKEB CCCOc1nc(-c2ccccc2)cc(-c2ccc(Br)cc2)c1C#N 2057836 SOTQMPNHKXNLBA-UHFFFAOYSA-N 393.284 5.839 30 40 GKEB CCCCCCCSc1nnc2c(n1)O[C@H](c1ccco1)Nc1ccccc1-2 2113345 MKNKRSSGABOLOZ-LJQANCHMSA-N 396.516 5.697 30 40 GKEB Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc(-c2nc3ccccc3s2)cc1 3022832 JRDQYUKDHDFUGR-FOKLQQMPSA-N 399.302 6.726 30 40 GKEB C=C[C@@](C)(CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)OC(C)=O)OC(C)=O 4082223 JRCDNYSMCYLMMV-RZYYESBJSA-N 392.580 5.839 30 40 GKEB biogenic CCOc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(Cl)cc3Cl)S2)cc1 4502128 FHLPFAKOLQCINF-CXUHLZMHSA-N 393.295 5.284 30 40 GKEB FC(F)(F)c1ccc(Cl)c(N/N=C/c2cccc(Br)c2)c1 4921060 OAOWEPIZIJGBPQ-DNTJNYDQSA-N 377.591 5.567 30 40 GKEB CC/N=c1\scc(-c2ccc(OC(F)F)cc2)n1N=C1CCCCCCC1 6378090 SSTZWRZPVURNGO-ATJXCDBQSA-N 393.503 5.687 30 40 GKEB C=CCn1c(S[C@H](C)c2nnc(-c3ccccc3)o2)nnc1C1CCCCC1 7833449 AMTAKRYOMDPCPT-OAHLLOKOSA-N 395.532 5.415 30 40 GKEB CCc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 8084689 DWLCEDMBJJRURQ-AFUMVMLFSA-N 384.306 6.885 30 40 GKEB CN1/C(=C\C(=O)COc2ccc(Cl)cc2Cl)C(C)(C)c2ccccc21 15911479 YSRPCABGAOBMEB-ODLFYWEKSA-N 376.283 5.253 30 40 GKEB Cc1ccc(/N=C/c2c(C)c(/C=N/c3ccc(C)c(C)c3)n3ccccc23)cc1C 59459726 NAJJNSXCNFESPR-LPHFKDDMSA-N 393.534 6.983 30 40 GKEB COC(=O)c1ccccc1/N=C/c1ccc(N2Cc3cc(C)c(C)cc3C2)cc1 59501493 DAPCXVZKLJQIAM-VULFUBBASA-N 384.479 5.361 30 40 GKEB CCCCCCCCCCS(=O)(=O)c1n[nH]c(-c2ccccc2Cl)n1 97965961 WGYPTWVHNJKMDL-UHFFFAOYSA-N 383.945 5.040 30 40 GKEB CCCCCCCCCCc1ccc(-c2ccc(SCCCCC)cc2)nc1 98045009 VCOCEARQHUVWSU-UHFFFAOYSA-N 397.672 8.714 30 40 GKEB CCN1C(=O)/C(=C\c2ccc(OC(C)C)cc2)S/C1=N\c1ccc(C)cc1 408909445 UJSIOSPVBPNNCE-QNQNADBQSA-N 380.513 5.406 30 40 GKEB CCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccc4ncccc4c32)cc1 718247 NZYNUNRWZJPXAC-QHCPKHFHSA-N 398.506 5.834 30 40 GKEB CCOC(=O)c1c(/N=C/c2c(O)ccc3ccccc23)sc2c1CCCC2 830891 FARFZLRGHSZJQP-YDZHTSKRSA-N 379.481 5.413 30 40 GKEB CCCCCCCCOc1ccc(/N=C/c2ccc(-c3cccs3)s2)cc1 2274623 QRAXMTKORDSZJA-HKOYGPOVSA-N 397.609 7.967 30 40 GKEB C=CCSc1nc2c(c(=O)n1CC(C)C)C1(CCCCC1)Cc1ccccc1-2 2343338 RRPUKARBBDWUKE-UHFFFAOYSA-N 394.584 5.602 30 40 GKEB O=C1CCCC(O)=C1C(C1=C(O)CCCC1=O)c1ccc(Cl)cc1Cl 4903320 PVMFKFUITPHLEC-UHFFFAOYSA-N 381.255 5.207 30 40 GKEB O=C1C[C@@H](c2ccccc2Cl)CC2=C1[C@H](c1ccco1)Nc1ccccc1N2 4973595 ZTSCBIDDEVDIAB-PSLXWICFSA-N 390.870 5.913 30 40 GKEB C/C(=N\Nc1nc2ccccc2s1)c1ccc(NC(=O)c2ccccc2)cc1 4974061 XSALZWDWAAROQM-MFKUBSTISA-N 386.480 5.385 30 40 GKEB Cc1ccc(-n2nc(C)c3c2NC2=C(C(=O)CC(C)(C)C2)[C@H]3c2ccccc2)cc1 5021081 AZOUAMLUASPWAB-QHCPKHFHSA-N 397.522 5.690 30 40 GKEB O=C(/C=C/c1ccccc1)Oc1ccccc1/C=C/C(=O)c1cc2ccccc2o1 6343935 LUSURHMWGBHVGB-QESAQRRWSA-N 394.426 5.948 30 40 GKEB CCN(CC)c1ccc(/N=C2/NC(=O)/C(=C/c3ccc(Cl)cc3)S2)cc1 6869762 DGFRWWQSDQXXRL-AQTBWJFISA-N 385.920 5.078 30 40 GKEB O=C1CCCC2=C1[C@H](c1ccco1)N(Cc1ccc(F)cc1)c1ccccc1N2 15826356 GPMHROIJQCAEIX-DEOSSOPVSA-N 388.442 5.599 30 40 GKEB Brc1ccc(-c2csc(N/N=C/C=C/c3ccccc3)n2)cc1 34804668 AEPHKWDVMBCCFJ-LIJKSJPWSA-N 384.302 5.684 30 40 GKEB C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@@]43C)[C@H]1C/C(=C\c1cccc(F)c1)C2=O 245242041 XTIQNVKIJGLRLG-ODKIPJEMSA-N 380.547 6.821 30 40 GKEB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccccc2C#N)c1Cl 408623369 SWYBGEHAWQNYON-UHFFFAOYSA-N 383.662 5.153 30 40 GKEB CCCCc1ccc(/N=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)cc1 408779658 GZPGEYQOKBGWAG-LFVJCYFKSA-N 375.472 6.096 30 40 GKEB Cc1cccc(/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2)c1C 409209106 FVJLAHBFKLGWMF-DHRITJCHSA-N 384.306 6.940 30 40 GKEB C/C(C=Nn1c(-c2cc3ccccc3o2)nc2ccccc2c1=O)=C\c1ccco1 409289809 IHUBZGRUCOWGIS-DQGFWJSKSA-N 395.418 5.340 30 40 GKEB Cc1ccc(-c2oc(/N=C/c3ccccc3)c(C#N)c2-c2ccc(C)cc2)cc1 409357888 KNPSYORSUBKSMO-OGLMXYFKSA-N 376.459 6.853 30 40 GKEB COC(=O)c1ccc(Cn2cc(/C=N\c3ccc(C)cc3C)c3ccccc32)o1 409392745 NKBBGPXRSHFELZ-MXAYSNPKSA-N 386.451 5.437 30 40 GKEB CC1(C)CC(=O)C2=C(C1)Nc1c(ccc3ccccc13)[C@@H]2c1ccc([N+](=O)[O-])cc1 687143 JLZCVOCDMKGQBT-QFIPXVFZSA-N 398.462 5.949 30 40 GKEB Clc1ccc(-c2ccc(/C=N/c3ccc4oc(-c5ccccc5)nc4c3)o2)cc1 2894784 WWHIVOOETXKPPT-CVKSISIWSA-N 398.849 7.159 30 40 GKEB Cc1ccc(/N=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c(O)c1 3170278 XXWGYVONMFUHJK-CIAFOILYSA-N 393.355 5.060 30 40 GKEB Sc1nnc(-c2ccc(Cl)cc2)n1/N=C\c1ccc(Cl)c(Cl)c1 4680141 ATPKCTQVDWCBLS-UWVJOHFNSA-N 383.691 5.076 30 40 GKEB Cc1c(CCC(C)C)c(N2C[C@@H](C)C[C@H](C)C2)n2c(nc3ccccc32)c1C#N 4869586 PZWQIBGAZCNSMO-ROUUACIJSA-N 388.559 5.739 30 40 GKEB CCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2c(C)cccc2C)cc1 98001403 RFERVOUARFUCAM-UHFFFAOYSA-N 394.559 6.635 30 40 GKEB biogenic C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1C/C(=C\c1cccc(F)c1)C2=O 253497869 XTIQNVKIJGLRLG-LDYJHEOBSA-N 380.547 6.821 30 40 GKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(F)cc3F)c2C)cc1 408771547 JBOQVRSHMPQHSG-DHRITJCHSA-N 382.410 5.300 30 40 GKEB Fc1cccc(-c2ccc(/C=N\c3cccc(I)c3)o2)c1 409018093 XIASSYVNULRPNM-JAIQZWGSSA-N 391.183 5.441 30 40 GKEB Cc1ccc(C(=O)/C=C/Nc2ccc(Br)cc2Br)cc1 409061414 ZOXYWWSYYRYXIC-CMDGGOBGSA-N 395.094 5.329 30 40 GKEB Cc1cc(C)c(NC(=O)CSc2nc3ccc(C)cc3cc2C#N)c(C)c1 1222306 IDAFGMFDSZVSEV-UHFFFAOYSA-N 375.497 5.071 30 40 GKEB CCOc1cccc(/C=N/c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1O 1496774 NNIFCIYMASXHRX-ZVHZXABRSA-N 394.858 5.447 30 40 GKEB Cc1cc(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc(C)c1Cl 1959808 VXPZWQCLQKQEOW-LLVKDONJSA-N 388.920 5.032 30 40 GKEB N#Cc1c(/N=C/C(Cl)=C\c2ccccc2)oc(-c2ccco2)c1-c1ccco1 3229327 MQAMSWHSHUQLCQ-CSPXPSOWSA-N 388.810 6.653 30 40 GKEB COc1ccc(/N=C/C=C2/C=C(c3ccccc3)OC3(CCCCC3)O2)cc1 4832633 FPTFEUSGFOXWSK-BFKYXJSMSA-N 375.468 6.030 30 40 GKEB CCOc1ccc(-c2[nH]/c(=N/N=C3\C[C@H]4CC[C@]3(C)C4(C)C)sc2C)cc1 5475663 YOKLJHCYODIKQE-HCSDUFMDSA-N 383.561 5.553 30 40 GKEB Cc1ccc(N2C(=S)N/C(=N\c3c(C)cccc3C)C23CCCCC3)c(C)c1 5798775 LGADKDJUSZYKPK-UHFFFAOYSA-N 391.584 6.048 30 40 GKEB CC(C)[C@@H]1CC[C@@H](C)c2cc(C#N)c(SCc3nc4ccccc4[nH]3)nc21 6523129 VFUBCZJYTOOWEB-ZBFHGGJFSA-N 376.529 5.759 30 40 GKEB CCOc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OCc1ccccc1 6959908 SYNXLYHUTOTAQY-CVKSISIWSA-N 393.914 6.685 30 40 GKEB Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)c(C)c1 8368518 RAOYLMYOEYCNFI-DHRITJCHSA-N 384.306 6.940 30 40 GKEB Cc1ccc(/N=C/c2ccccc2OS(=O)(=O)c2ccc(Cl)cc2)cc1 8371997 SOYYTUWHGUREMQ-HYARGMPZSA-N 385.872 5.167 30 40 GKEB O=C1[C@H](Cc2ccc(Cl)cc2)S/C(=N\c2nccs2)N1c1ccccc1 16037602 AOKYARRTQMQBMG-VFOOBRQFSA-N 399.928 5.175 30 40 GKEB C=CCn1c(Cc2cccc(Cl)c2)nnc1SCc1ccc(OC)cc1 32604358 NVINSESBTWACMX-UHFFFAOYSA-N 385.920 5.009 30 40 GKEB O=C(/C=C/c1ccco1)c1c(-c2ccc(Cl)cc2)c2ccccc2[nH]c1=O 40158498 IUFVGAIXIFGCKL-VAWYXSNFSA-N 375.811 5.338 30 40 GKEB Clc1ccc(Sc2oc(/C=N/c3ccco3)cc2Br)cc1 59679297 QURQJNKCEXKNJC-GIJQJNRQSA-N 382.666 6.190 30 40 GKEB Cc1ccc(-c2cc(/N=C/c3ccc4c(c3)OCO4)n(-c3ccc(C)cc3)n2)cc1 100138113 NSVZJYNTADTIMY-CVKSISIWSA-N 395.462 5.635 30 40 GKEB CCCCCCCCCCCCCCSCc1ccc(O)c2ncccc12 100935870 TVQXRYAJMBDSKF-UHFFFAOYSA-N 387.633 7.875 30 40 GKEB CCCCCCCCCCCCN[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O 101409834 NIVVQHMBAQAJCU-HXUWFJFHSA-N 392.971 5.482 30 40 GKEB CCC(=O)Nc1ccc(/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1 102481748 HUXNGRZVHUKDHS-MFKUBSTISA-N 392.886 6.018 30 40 GKEB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](/N=C\c3ccccc3)CC[C@@H]12 118917460 PSKHDAPOVCIOJR-LNVNXAEOSA-N 379.588 5.878 30 40 GKEB COc1ccc(Oc2ccc(/N=C/c3cc(C)n(-c4ccccc4)c3C)cc2)cc1 408773883 XVQHLBUYLMQSLY-OVVQPSECSA-N 396.490 6.646 30 40 GKEB O=C1NC(=Nc2ccc(F)cc2)S/C1=C\c1cccn1-c1ccc(Cl)cc1 408852663 MMGHXAPSVYDFFF-PDGQHHTCSA-N 397.862 5.161 30 40 GKEB CC(C)N(/N=C/c1c2ccccc2cc2ccccc12)c1ccc([N+](=O)[O-])cc1 408891902 FBUIZWWFMCDOLI-PCLIKHOPSA-N 383.451 6.150 30 40 GKEB C=CCOc1c(Cl)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OCC 408902137 KRTJMFCABNGPJD-LDADJPATSA-N 396.874 5.110 30 40 GKEB Cc1cc(/C=N\c2ccc(Cl)cc2O)c(C)n1-c1ccc(C(C)(C)C)cc1 408965844 JAGPQLVLJQOGEY-QFEZKATASA-N 380.919 6.501 30 40 GKEB CC[C@H](C)Oc1ccc(/C=N/c2cc(C(=O)OC)ccc2Cl)cc1Cl 409017101 DZFITAWVHGZFIM-JHAVZTMOSA-N 380.271 5.708 30 40 GKEB COC(=O)c1ccc(Cn2cc(/C=N\c3ccccc3Cl)c3ccccc32)o1 409390050 DIHKLAQEHWUANA-MSXFZWOLSA-N 392.842 5.473 30 40 GKEB C=C(C)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCCC3 2271404 YGPVVRVVSCZQJD-UHFFFAOYSA-N 396.581 5.443 30 40 GKEB N#Cc1ccccc1Sc1ccccc1C(=O)NCCCOC1CCCCC1 26217528 KDKUKOXXKYIABS-UHFFFAOYSA-N 394.540 5.179 30 40 GKEB CCOC(=O)c1c(C)oc2c1/C(=C/Nc1cccc(F)c1)C(=O)c1ccccc1-2 100859147 WAQHUUTUNLPXDR-PDGQHHTCSA-N 391.398 5.220 30 40 GKEB FC(F)=CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103531394 CJFQWBLEVRATIS-UHFFFAOYSA-N 396.093 5.896 30 40 GKEB C=CCOc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1OCC 408558796 VUIICKYGGJGKND-UHFFFAOYSA-N 389.451 5.695 30 40 GKEB N#Cc1ccccc1COc1ccccc1[C@H](C[N+](=O)[O-])c1c[nH]c2ccccc12 408565468 CAAOSPKBOVNEBX-QFIPXVFZSA-N 397.434 5.027 30 40 GKEB O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1ccc(-c2ccccc2)o1 409303636 HQOKHIPKJUQTEO-UHFFFAOYSA-N 397.478 5.586 30 40 GKEB Cc1cccc(C)c1NC(=O)CSc1nc(-c2cccs2)ccc1C#N 1279334 KEEHBIKEILQMKR-UHFFFAOYSA-N 379.510 5.029 30 40 GKEB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=N/c1cccc(C(F)(F)F)c1 3257053 PPDXPSGYCICYSC-YSURURNPSA-N 381.760 5.743 30 40 GKEB CN(C)c1ccc(/C=N/CC[C@]2(Cc3ccccc3)CCOC(C)(C)C2)cc1 3999263 FMZIMLQQWZOBBT-LIMMBSDMSA-N 378.560 5.380 30 40 GKEB biogenic CCOc1ccc(-c2csc(/C(C#N)=N/Nc3ccc(C)c(C)c3)n2)cc1 4175536 LNJHGFBVRGGLSC-NCELDCMTSA-N 376.485 5.165 30 40 GKEB Cc1ccc2[nH]c(=O)c(C(=O)/C=C/c3ccc(F)cc3)c(-c3ccccc3)c2c1 4726080 WYHOVDBFCQFRGX-GXDHUFHOSA-N 383.422 5.539 30 40 GKEB CCOc1ccc(-c2n[nH]c(=S)n2/N=C/c2c(Cl)cccc2Cl)cc1 5900390 BGCQSPAYTJUHRP-KEBDBYFISA-N 393.299 5.195 30 40 GKEB N#Cc1ccccc1CSc1nnc(-c2cccs2)n1Cc1ccccc1 6788737 LERWYFKFTDNOIA-UHFFFAOYSA-N 388.521 5.219 30 40 GKEB Cc1ccc(/N=C/c2cc(Cl)ccc2OS(=O)(=O)c2ccccc2)c(C)c1 8368613 YJKONMDOAAMGID-OEAKJJBVSA-N 399.899 5.475 30 40 GKEB O=C1N(c2ccccc2)/C(=N/C2CCCCC2)[C@@H](N2CCCC2)C12CCCCC2 33435806 YGNWNEQAEDFGTD-NJGKLKBPSA-N 393.575 5.179 30 40 GKEB CCOc1ccc2ccccc2c1/C=C1\SC(=N)[C@@H](c2nccs2)C1=O 33684347 SHTQKLJHUJKUKX-OXYLHNFMSA-N 380.494 5.113 30 40 GKEB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)/C(=C\c1ccccc1)C(=O)c1ccccc1 36056603 LHTRLJFFJJYZCU-LMHRODSMSA-N 390.523 5.957 30 40 GKEB CCCCCCCCCCCCCC(=O)c1ccc(Oc2ccccc2)cc1 101475141 KMECDCRJJHVBMP-UHFFFAOYSA-N 380.572 8.363 30 40 GKEB C[C@@H]1CC[C@H]([C@@H]2C[C@@H]3CC[C@@H]2C3)/C(=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 101653235 GAQNEEVUJTXDHR-VGJLZYHUSA-N 386.452 5.143 30 40 GKEB O[C@]1(c2ccccc2)C/C(=N/C2=NN(c3ccccc3)CC2)C=C1c1ccccc1 102943607 BWNMMMCLWUPJQG-NRILKJAUSA-N 393.490 5.026 30 40 GKEB CC1(C)C/C(=N/O)c2c(nc3c(c2-c2ccccc2)/C(=N/O)CC(C)(C)C3)C1 102946874 HLGBYHSWFDSHHO-WTHRLWDASA-N 377.488 5.050 30 40 GKEB COc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)c(C#N)c1 225752598 UUQUCNRUNHFBLZ-UHFFFAOYSA-N 389.282 5.324 30 40 GKEB CCCn1c(C)c(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2cccc(C)c21 409041157 ZITWVWTZZVZYOB-MWYAZZEHSA-N 397.338 5.382 30 40 GKEB C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)C1=O 409101747 XRDTZYDBUWNRMK-XDHOZWIPSA-N 380.513 5.242 30 40 GKEB Cc1cccc(NC(=O)COc2cccc(/C=N\c3ccc(C)c(Cl)c3)c2)c1 409212151 POGCNPVINTYUBU-QFEZKATASA-N 392.886 5.725 30 40 GKEB Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 815762 GXATZACNKRJXHB-MZNJEOGPSA-N 386.520 6.036 30 40 GKEB C=C(C)c1cccc(C(C)(C)NC(=O)NCCOc2cccc3ccccc23)c1 1906218 MUMOQKOQPCJGIP-UHFFFAOYSA-N 388.511 5.486 30 40 GKEB O=C1C2=C(Nc3ccccc3S[C@H]2c2cccc3ccccc23)c2ccccc21 2359445 WUOIUOZZGTZHLE-SANMLTNESA-N 391.495 6.706 30 40 GKEB CCc1ccccc1NC(=O)CSc1nc2c(C)cc(C)cc2cc1C#N 4849149 NHVNEIRFTGEKKA-UHFFFAOYSA-N 375.497 5.017 30 40 GKEB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1C[C@@H]1[C@@H]2C(=O)C=C2CCCC[C@@H]21 4887103 CWLSXLGVSRANSC-FFYPTGFQSA-N 392.583 6.060 30 40 GKEB CCCCCCC(=O)C[C@@H](SCCS)c1ccc(Cl)c(Cl)c1 5497133 FLVMMGCAVATZJZ-QGZVFWFLSA-N 379.418 6.627 30 40 GKEB CCOc1ccc(-c2csc(/C(C#N)=N/Nc3ccc(C)cc3C)n2)cc1 5980462 NTIJJVDRGMABJL-NCELDCMTSA-N 376.485 5.165 30 40 GKEB CCOc1cc(/C=N/c2cccc(C)c2C)ccc1OCc1ccc(F)cc1 6961333 MSPOQDNSYVUENL-CVKSISIWSA-N 377.459 6.171 30 40 GKEB CCOc1ccc(/C=C2\Oc3cc(OC(=O)C4CCCCC4)ccc3C2=O)cc1 9420507 FYJTWEXDXOOWIT-HMAPJEAMSA-N 392.451 5.187 30 40 GKEB O=C(/N=C1\c2ccccc2CN1c1cccc(C(F)(F)F)c1)c1ccccc1F 12576850 QFDZXZJPTUVBFW-NHFJDJAPSA-N 398.359 5.452 30 40 GKEB COc1ccc(Br)c2c1-c1nc(/N=C/c3ccc(C)cc3)sc1C2 20035518 LIFGTBWWNXXOSV-UFFVCSGVSA-N 399.313 5.544 30 40 GKEB CC1(C)CC2=NC3=C(C(=O)CC(C)(C)C3)[C@@H](c3ccc4c(c3)OCO4)C2=C(O)C1 36522122 OOPVWEDAQPUTMZ-FQEVSTJZSA-N 393.483 5.229 30 40 GKEB CC(C)(C)c1ccc(OCCCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 1773525 JSHYYSZUVVLWNR-UHFFFAOYSA-N 396.556 5.594 30 40 GKEB O=C(/C=C/Sc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 2597588 BPELIOLCVLNOOS-VOTSOKGWSA-N 376.321 6.213 30 40 GKEB Cc1c(Cl)cccc1/N=C1\SCCN1C(=O)c1csc2c1CCCC2 3336763 OHYGWQYABMZKAW-VZCXRCSSSA-N 390.961 5.465 30 40 GKEB Cc1ccc(/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2Cl)c(C)c1 4461658 RJOVBVKPRCWBQT-DHRITJCHSA-N 398.289 6.580 30 40 GKEB C/C(=N\Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc2ccccc2c1 4924899 RQZFRMOIDYEMKM-ZVHZXABRSA-N 377.900 6.453 30 40 GKEB C=CCOc1ccccc1/C=C1\SC(=S)N(c2ccc(CC)cc2)C1=O 5371418 BQXIFVXADYRXMG-RGEXLXHISA-N 381.522 5.220 30 40 GKEB Cc1ccccc1/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 8570877 GJVKILBIQBNPAB-YDZHTSKRSA-N 380.831 5.886 30 40 GKEB C[C@H](C#N)Sc1nnc(-c2ccc(Cl)cc2Cl)n1C1CCCCC1 13018024 DHQBILYMWDKISZ-LLVKDONJSA-N 381.332 5.761 30 40 GKEB N#CCc1ccc(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1 13687572 BTUGAEUYHCQVHE-UHFFFAOYSA-N 376.843 5.237 30 40 GKEB COC(=O)c1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 409091618 QOHYZDWHTVNBMX-ANDSAHIGSA-N 380.513 5.308 30 40 GKEB Cc1cccc(NC(=O)COc2ccccc2/C=N/c2cc(Cl)ccc2C)c1 409199812 DXMMAGVIHWPBGU-AFUMVMLFSA-N 392.886 5.725 30 40 GKEB COc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OCc1ccc(F)cc1 409214697 ZZMGOMBDALMGLJ-LGJNPRDNSA-N 397.877 6.434 30 40 GKEB CC(C)c1ccc(Oc2cc(C#N)c(C#N)cc2-n2nnc3ccccc32)cc1 1443161 RYTZGCXFTMJFTI-UHFFFAOYSA-N 379.423 5.080 30 40 GKEB CCCCCCCCCC(=O)NC(=S)Nc1ccc(Br)cc1 1752985 UQGZWEHINXGSQX-UHFFFAOYSA-N 385.371 5.403 30 40 GKEB Oc1cc2ccccc2cc1-c1nc2cc(/N=C/c3ccc(Cl)cc3)ccc2o1 3116428 YRRQKQSQKBTXGP-VULFUBBASA-N 398.849 6.758 30 40 GKEB C=CCNc1nc(SCc2ccc(C)cc2)nc2c1sc1ccccc12 4092636 GBAYOIGDXKIYBS-UHFFFAOYSA-N 377.538 6.043 30 40 GKEB CCc1ccc(/N=C/c2c(OCc3cccc(Cl)c3)ccc3ccccc23)cc1 8084138 PLSZWTGGGOSVOD-OGLMXYFKSA-N 399.921 7.385 30 40 GKEB C=CCn1c(COc2ccccc2Cl)nnc1SCc1ccc(C)cc1 13841958 BBQZJGDQQVPROJ-UHFFFAOYSA-N 385.920 5.297 30 40 GKEB O=[N+]([O-])c1ccc(-c2ccc(/C=N\Nc3cccc(Cl)c3)o2)c(Cl)c1 15133806 CFXDGBODFAHFFQ-JMIUGGIZSA-N 376.199 5.608 30 40 GKEB COc1ccccc1CN/N=C/c1cccc(OCc2ccccc2Cl)c1 20762227 RTIGZTLILZYISM-ZVHZXABRSA-N 380.875 5.051 30 40 GKEB O=C(Oc1ccc(/C=N/c2ccc(O)cc2)cc1)c1ccc(Cl)cc1Cl 28627887 RRALWSJSTPBIJC-FSJBWODESA-N 386.234 5.669 30 40 GKEB Cc1cc(-c2cc(C(=O)Nc3sccc3C#N)c3c(C)noc3n2)c(C)s1 84081903 ARYFXUANYPYBRU-UHFFFAOYSA-N 394.481 5.062 30 40 GKEB CC(C)(C)n1nc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1C1CC1 84325491 OAPPVHGJTPOOQJ-CYBMUJFWSA-N 398.919 5.269 30 40 GKEB CCC[C@@H]1S/C(=N\N=C\c2ccco2)N(Cc2cccc3ccccc23)C1=O 95471660 PWVKRDRWQVOXOX-MJHJUBQXSA-N 391.496 5.067 30 40 GKEB O=C1/C(=N/Nc2ccccc2)c2ccccc2N1Cc1cccc(C(F)(F)F)c1 100327051 YQDQFAUHZYNUOM-NHFJDJAPSA-N 395.384 5.068 30 40 GKEB CCCCCCCCS(=O)(=O)N/N=C(\CCCCC)c1ccc(C)cc1O 100955157 SJOBTFUSAPSWMA-LSDHQDQOSA-N 396.597 5.265 30 40 GKEB O=C1/C(=C/c2ccc(F)cc2)S/C(=N\c2ccccc2F)N1C1CCCCC1 408876609 MQIHZAFYORUUIN-UDGIJHFQSA-N 398.478 5.902 30 40 GKEB CCOc1ccc(/C=N/c2cccc(Cl)c2)cc1I 408906710 JTUISJXEAUZMNP-VCHYOVAHSA-N 385.632 5.094 30 40 GKEB Cc1cc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc(C)c1Cl 575242676 FNGDBZAGAPZROX-UHFFFAOYSA-N 386.641 5.608 30 40 GKEB Cc1cccc(CO/N=C/c2c(-c3ccc(Cl)cc3)nc3c(C)cccn23)c1 4024657 YZJFLIBONPKNHW-AFUMVMLFSA-N 389.886 5.822 30 40 GKEB CCc1ccc2oc(-c3cccc(/N=C/c4c(O)ccc5ccccc45)c3)nc2c1 4603606 OISFBAYYMBBVCE-JVWAILMASA-N 392.458 6.667 30 40 GKEB Cc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(SCC(=O)O)n2)cc1 4952445 NYCPHRWBKROTGA-UHFFFAOYSA-N 394.883 5.426 30 40 GKEB C=CCc1cc([N+](=O)[O-])cc(/C=N/c2cccn3cc(-c4ccccc4)nc23)c1O 12042883 GLWGMKMWGZEHER-ZVHZXABRSA-N 398.422 5.094 30 40 GKEB CC(=O)N(c1nc(/C=C/C(=O)c2ccccc2)cs1)c1ccc(F)cc1F 12760003 SGSUIENACJEFBY-CSKARUKUSA-N 384.407 5.002 30 40 GKEB CCC(=O)N(/C=C1\Sc2ccccc2C1=O)c1cc(Cl)ccc1Cl 100873154 JHQRQKLQCQQMHJ-YBEGLDIGSA-N 378.280 5.566 30 40 GKEB C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@@]43C)[C@H]1CC(=C1Nc3ccccc3N1)C2=O 245015227 LSAJYPFOWSXELJ-PMVAZFITSA-N 390.571 6.347 30 40 GKEB CC(C)N1c2ccc(/C=N/c3ccc(Br)cc3)cc2[C@H](C)CC1(C)C 260565330 IBCZHUIZPNXMEZ-HUSFYUSLSA-N 399.376 6.700 30 40 GKEB Cc1cc(/C=N/c2ccc(C(=O)O)c(Cl)c2)c(C)n1-c1ccc(Cl)cc1 408782917 LDSWTSRRIZRICA-FOKLQQMPSA-N 387.266 5.850 30 40 GKEB CCOC(=O)c1cccc(/N=C\c2cc(C)n(-c3c(C)cccc3CC)c2C)c1 408959587 BLVWKVBABNJEKO-QQXSKIMKSA-N 388.511 5.892 30 40 GKEB O=C(/C=C/Nc1ccc(Br)c(Cl)c1)c1cccc2ccccc12 409179635 SEEIWQOWGCKCKM-ZHACJKMWSA-N 386.676 6.064 30 40 GKEB Cc1ccc(/N=C/c2c(OCc3ccccc3F)ccc3ccccc23)cc1C 409212462 MLNWQHWJYVFAMM-LQKURTRISA-N 383.466 6.925 30 40 GKEB Cc1ccc(Cl)cc1/N=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1 409241589 OTRQVOPZCFHLPJ-WGARJPEWSA-N 376.862 6.541 30 40 GKEB Oc1ccc(Cl)cc1/C=N/c1ccc(-c2nc3cc(Cl)ccc3o2)cc1 802258 HMAFAOOQLQFENL-FOKLQQMPSA-N 383.234 6.258 30 40 GKEB C=CCc1ccc(Oc2nnc(-c3ccc(C)cc3)c3ccccc23)c(OC)c1 1061212 JQHWPLAYDVPCTF-UHFFFAOYSA-N 382.463 6.135 30 40 GKEB CCc1nc(SCc2cc3c(cc2Cl)OCO3)c(C#N)c2c1CCCC2 1240487 JUWPYJHOSDVHNA-UHFFFAOYSA-N 386.904 5.069 30 40 GKEB CCCc1ccc([C@H]2Sc3ccccc3NC3=C2C(=O)c2ccccc23)cc1 2206852 DQYMYDUMXSAAJT-RUZDIDTESA-N 383.516 6.506 30 40 GKEB Cc1cccc(CSc2nsc(SCc3cccc(C)c3)c2C#N)c1 2240098 QRWWDVIXFUUXCS-UHFFFAOYSA-N 382.579 6.216 30 40 GKEB C=CCn1c(SCc2ccccc2Cl)nnc1-c1ccc(Cl)cc1 2453000 HBWFOFCWWKTXCP-UHFFFAOYSA-N 376.312 5.730 30 40 GKEB C=CCn1c(SCc2ccc(C(C)(C)C)cc2)nnc1-c1cccc(C)c1 5500534 AOPQLDNHFONNPQ-UHFFFAOYSA-N 377.557 6.029 30 40 GKEB Cc1ccc(-c2nc(SCc3c(C)noc3C)c(C#N)c3c2CCCC3)cc1 6507288 WHKWBTPTUFGEKP-UHFFFAOYSA-N 389.524 5.705 30 40 GKEB C=CCSc1ncc(-c2ccc(Cl)c(Cl)c2)n1Cc1ccccc1 44085457 OGBQIGZUTIXJHC-UHFFFAOYSA-N 375.324 6.183 30 40 GKEB C=CCOC(=O)/C=C/c1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1 226336056 AGXMITBAYRENOO-CMDGGOBGSA-N 393.266 5.323 30 40 GKEB Cc1cc(/C=N\c2ccccc2Cl)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408950682 UCTGZTGKCONAGR-KSEXSDGBSA-N 387.266 5.850 30 40 GKEB Cc1ccc2[nH]c3c(c2c1)CCC/C3=N\N=C1/CCCc2c1[nH]c1ccc(C)cc21 977869 HMRMFAQIVXFZGW-HCTXVGCHSA-N 394.522 6.132 30 40 GKEB C=CCN(C(=O)c1ccccc1)c1nc(-c2ccccc2)c(-c2ccccc2)s1 3260275 LSRFSQSPWBICJU-UHFFFAOYSA-N 396.515 6.310 30 40 GKEB O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc2ccccc2c1 5214811 JLODBLUMNHZMOL-ZRDIBKRKSA-N 393.269 7.303 30 40 GKEB O=[N+]([O-])c1ccccc1-c1ccc(/C=N/NCc2c(Cl)cccc2Cl)o1 9195526 IIPWIHSSLPWGOA-UFFVCSGVSA-N 390.226 5.285 30 40 GKEB C=CCc1cc(C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)ccc1OC 14400806 FJOKUKTXVZIZHY-UHFFFAOYSA-N 384.479 5.804 30 40 GKEB O=C1N/C(=N/c2ccc(F)cc2)S/C1=C\c1ccc(-c2ccccc2Cl)o1 15015943 HLMPWKIMZCUPMD-WQRHYEAKSA-N 398.846 5.631 30 40 GKEB CCN(CC)/C(C)=N\c1cccc(-c2cc(C(F)(F)F)cnc2N(C)C)c1 100218321 CDNBAMRHHIWMPS-QFEZKATASA-N 378.442 5.225 30 40 GKEB CCCCCCCCCCCCCCCCN1C(=O)[C@H]2CCCC[C@@H]2C1=O 100309817 GRJFMCXINURLLD-VXKWHMMOSA-N 377.613 6.643 30 40 GKEB CC(C)c1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1 408938449 QSXUORRBUWYXHW-OSSRSXBGSA-N 392.546 7.387 30 40 GKEB Fc1cnc(Cl)nc1Oc1cccc(/C=N/Nc2nc3ccccc3s2)c1 409062879 CHJVGNMCDXRZLK-LSFURLLWSA-N 399.838 5.117 30 40 GKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccc(Br)cc2)cc1OC 409375873 QGYAOESEZCYXFO-KIHMUJGBSA-N 396.712 6.039 30 40 GKEB Cc1ccc(-c2nc3cc(/N=C/C=C/c4ccccc4[N+](=O)[O-])ccc3o2)cc1 3162740 ONCNHUQKMBDCDL-UNURKUBWSA-N 383.407 6.127 30 40 GKEB CCO[C@@H]1C[C@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=C(C)O1 4721159 ARJPPIIZDXIWHR-STKMXDQZSA-N 384.560 5.801 30 40 GKEB N#Cc1ccc(-c2ccc(OCC(=O)Nc3cc(Cl)ccc3Cl)cc2)cc1 5407104 VZZFXAPIXOEQIZ-UHFFFAOYSA-N 397.261 5.550 30 40 GKEB CCc1ccc(/N=C/c2ccccc2OCc2ccc(Br)cc2)cc1 8085084 WQQXGXDENBMNLX-BUVRLJJBSA-N 394.312 6.341 30 40 GKEB CCc1cc2c3c(c1)/C(=N\c1cccc(C(F)(F)F)c1)C(=O)N3C(C)(C)C=C2C 16161323 DVINVMUKSXCJLI-ZXVVBBHZSA-N 398.428 5.931 30 40 GKEB C/C(=N\Nc1nc(-c2ccccc2)c2cc(C)ccc2n1)c1ccc2c(c1)OCO2 46085264 PEPKUABWJZSCSD-JVWAILMASA-N 396.450 5.170 30 40 GKEB Brc1ccc2nc(N/N=C/c3ccco3)nc(-c3ccccc3)c2c1 46085343 NWJLZQDOXYVALS-CIAFOILYSA-N 393.244 5.098 30 40 GKEB CCCCCCCCCCCCCCCCCc1nccn1CCOCCO 104333910 ZCMBVRYSEVZTPH-UHFFFAOYSA-N 394.644 6.306 30 40 GKEB Cc1ccc(-c2ccc(/C=N\OCc3ccccc3C#N)o2)c(Br)c1 408589589 DYCVAHKVXCAVBZ-FMCGGJTJSA-N 395.256 5.440 30 40 GKEB COc1cc(/C=N\c2cccc(C)c2)ccc1OCc1cccc(C(=O)O)c1 408851654 LRLDHLYLCKOQJR-OYKKKHCWSA-N 375.424 5.031 30 40 GKEB Cc1nn(-c2cccc3ccccc23)c(C)c1/C=N/Nc1cccc2ccccc12 408997111 REPYHSMHUACPJA-WPWMEQJKSA-N 390.490 6.242 30 40 GKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc4c(c3)OCCO4)c2C#N)C1 409090722 NYRLIEWDQFKYBO-MMTYYTLLSA-N 380.513 5.293 30 40 GKEB C=CCOc1c(Cl)cc(/C=C2\C(=O)N(CCC)c3ccccc32)cc1OCC 409120822 UVADIKYEQJKWLW-AQTBWJFISA-N 397.902 5.601 30 40 GKEB Cc1cccc(/N=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)c1C 409210933 LSIZFTYHAWGVIB-DHRITJCHSA-N 384.306 6.940 30 40 GKEB O=C1ON(c2ccccc2)[C@H](c2ccc(Br)cc2)N1c1ccccc1 2256914 DKTQIRCNWAZZEY-LJQANCHMSA-N 395.256 5.526 30 40 GKEB COc1ccc(Sc2ccc(NC(=O)c3ccccc3Cl)cc2C#N)cc1 3104533 YZMLAJBOSVHFEW-UHFFFAOYSA-N 394.883 5.624 30 40 GKEB aggregator N#Cc1nc(-c2ccc(COc3ccc(Cl)cc3)o2)oc1N1CCCCC1 8654599 BWCZHWKWWPKGHG-UHFFFAOYSA-N 383.835 5.029 30 40 GKEB C=CCN1N=C(c2cccc(C(F)(F)F)c2)SC=C1c1ccc(OC)cc1 28527182 SCILUKNTQPOTPT-UHFFFAOYSA-N 390.430 5.609 30 40 GKEB CCCCCCCCCCCNC(=S)N/N=C\c1ccc(C(C)C)cc1 100355472 NFGGYSDADRDLMN-MOHJPFBDSA-N 375.626 6.139 30 40 GKEB COc1ccc(/C=N/c2c(-c3ccco3)nc3ccccn23)cc1Br 408721329 OWULIFZXCGIFIB-CIAFOILYSA-N 396.244 5.116 30 40 GKEB COc1cc(C)c(/C=C2\SC(=Nc3ccccc3F)NC2=O)cc1C(C)C 408858100 JORSJUJRRWRFSH-ODLFYWEKSA-N 384.476 5.158 30 40 GKEB C=CCOc1ccc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc1 409348314 SCWYMESUTSTVCB-LDADJPATSA-N 399.562 5.379 30 40 GKEB CCC[C@@H](C)c1ccc(O)c(/N=C/c2c(C)c(Cl)c(C)c([N+](=O)[O-])c2O)c1 3115471 JFJZEFDUDJXPOI-WMJRALALSA-N 390.867 5.930 30 40 GKEB Cc1ccc2nc(-c3cc(/N=C\c4ccc([N+](=O)[O-])cc4)ccc3Cl)oc2c1 3184533 BUBVQTABXMNBRX-FMCGGJTJSA-N 391.814 6.115 30 40 GKEB COc1ccc(-c2csc(/N=C(/O)c3cc(Cl)cc(Cl)c3)n2)cc1 5258102 UJCSXYDHXONNJL-UHFFFAOYSA-N 379.268 5.762 30 40 GKEB COc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1 8116480 FWCWKTHMEFNKKT-ZMOGYAJESA-N 386.278 6.332 30 40 GKEB Cc1ccccc1/N=C1\NC(=S)N(c2ccc(Cl)cc2)C12CCCCC2 9434745 SGYOFYYJGOYQGX-UHFFFAOYSA-N 383.948 5.776 30 40 GKEB CCO/C=N/c1c(C#N)c(-c2ccc(Cl)cc2)cn1-c1ccc(Cl)cc1 13410456 JMRMBPJHROLJHN-ZMOGYAJESA-N 384.266 6.019 30 40 GKEB C=CCOc1ccc(C(=O)Nc2ccc(OCCCC)c3ncccc23)cc1 28293282 FAGOLKXYPSEFDC-UHFFFAOYSA-N 376.456 5.231 30 40 GKEB C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\c1ccc(F)cc1 33957382 XZWUGWAIVKGTRA-HABTXOPUSA-N 390.502 5.863 30 40 GKEB C=C1[C@H]2C[C@@H](C(=C(c3ccccc3)c3ccccc3)[C@H]2c2ccccc2)C1(C)C 100365998 KERZPJNYRQANFB-OBDYRVMHSA-N 376.543 7.504 30 40 GKEB CCCCCCCC/C=C\CCCCCCCC1=NC(C)(C)CN1CCO 104326566 SSKYOXIHQFQZRW-QXMHVHEDSA-N 378.645 6.509 30 40 GKEB Cc1cc(/N=C/c2ccc(-c3ccc(C)c(C(=O)O)c3)o2)ccc1Br 408853269 QMXQEGFZUDJDDQ-SSDVNMTOSA-N 398.256 5.775 30 40 GKEB Cc1oc(/N=C/c2ccccc2OCc2cccc3ccccc23)c(C#N)c1C 408958002 XAYLJPVMIPFKTE-JFLMPSFJSA-N 380.447 6.251 30 40 GKEB Cc1[nH]c2ccccc2c1/C=N/c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 409079431 JUEWTJDQWMFTCV-VSRRSJTHSA-N 375.541 6.311 30 40 GKEB CCCCCCCCc1cc(CN(C)C)c(O)c(C(C)(C)CC(C)(C)C)c1 1706400 XVZLXWLOKDUGKB-UHFFFAOYSA-N 375.641 7.071 30 40 GKEB C(=N/Cc1ccccc1)\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 3215414 LSBNRYBNQDMHDG-YZSQISJMSA-N 377.447 5.905 30 40 GKEB C=C(C)COc1ccc2oc(=O)c(-c3ccc(Br)cc3)c(C)c2c1 4340588 FRNJAXIJIQQSBZ-UHFFFAOYSA-N 385.257 5.486 30 40 GKEB biogenic CCCCCC1CCC(c2ccc(C#Cc3ccc(OC(F)F)cc3)cc2)CC1 4592165 LCEJZSKUNJZYTO-UHFFFAOYSA-N 396.521 7.542 30 40 GKEB C=CCC1(O)[C@@H](C)[C@@H](c2ccc(Cl)cc2)N[C@@H](c2ccc(Cl)cc2)[C@H]1C 5101748 AUYAXWJFEBJXAN-MJEKEMRESA-N 390.354 5.958 30 40 GKEB O=C1/C(=C\c2cc(Br)ccc2Br)Sc2ccccc21 5604699 IDJKKTPHACYIGQ-RIYZIHGNSA-N 396.103 5.541 30 40 GKEB Cc1nnc(SCc2ccc(-c3ccccc3C#N)cc2)n1-c1ccccc1 12543825 RERBWOPLDDQHJH-UHFFFAOYSA-N 382.492 5.407 30 40 GKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1cccc(C(F)(F)F)c1 33499214 IXBYZKZLLIWOFB-GZIVZEMBSA-N 377.244 5.078 30 40 GKEB Cc1cc(Oc2ccc(NC(=O)c3ccccc3-c3ccccc3C#N)cc2)n[nH]1 84111480 FKXFURBCGHJXSQ-UHFFFAOYSA-N 394.434 5.301 30 40 GKEB CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC 100069659 VNLRTFSQCPNNIM-UHFFFAOYSA-N 396.700 9.152 30 40 GKEB CCCCCCCCCCc1noc2c1/C(=N\O)C[C@H](C[C@H](C)SCC)C2 103007874 KJKOMIKRFOOAEA-WCJNNELISA-N 394.625 6.630 30 40 GKEB CCCCCCCCCCCCNC(=S)N/N=C/c1cc(Cl)ccc1O 104373368 AHKMBBXJICQCGO-XQNSMLJCSA-N 398.016 5.765 30 40 GKEB CCCCCCCCC/C=N\NC(=S)N/N=C/CCCCCCCCC 104376460 UZHVXCIQANJNCQ-XOODDYIFSA-N 382.662 6.704 30 40 GKEB C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]1CC[C@@H]2/N=C/c1ccccc1O 118918978 KCNVLMLASJSATC-NSJFOMEKSA-N 379.588 6.613 30 40 GKEB biogenic Cc1ccc(/N=C\c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)c(C)c1 408946705 PLCUBXMLYIXGID-MSXFZWOLSA-N 380.875 5.813 30 40 GKEB Cc1cccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(C#N)cc4)o3)S2)c1C 409024386 RRNVYTHRHHNUSQ-MTJSOVHGSA-N 399.475 5.327 30 40 GKEB COc1ccc(Cl)cc1-c1ccc(/C=N/Nc2nc3ccccc3s2)o1 409034285 NLTDIOMRZKEQHO-SRZZPIQSSA-N 383.860 5.664 30 40 GKEB COc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCc1cccc(F)c1 409217660 RGCCNKDPBQSMPR-LGJNPRDNSA-N 397.877 6.434 30 40 GKEB Cc1cccc(/N=C2/NC(=O)/C(=C/c3cccn3-c3ccc(Cl)cc3)S2)c1 5533038 IZVLOUNXVBSKLE-UYRXBGFRSA-N 393.899 5.331 30 40 GKEB Cc1ccccc1N1C(=O)CC[C@@]1(C#N)c1ccc(OCc2ccccc2)cc1 6525587 XFBQOFQZTPIUPA-RUZDIDTESA-N 382.463 5.120 30 40 GKEB N#Cc1ccc(-c2ccc(OC(=O)c3ccccc3Oc3ccccc3)cc2)cc1 6829610 ZWSRSYAHBZLGMH-UHFFFAOYSA-N 391.426 6.237 30 40 GKEB C=CCSc1nnc(NC(=O)c2sc3cc(F)ccc3c2Cl)s1 16008454 KKWHMDDALOLLSC-UHFFFAOYSA-N 385.898 5.076 30 40 GKEB CSc1nc(Nc2ccc(C)c(C)c2)c(C#N)c(-c2ccc(Cl)cc2)n1 19820538 LDIAEYFBZZNVKE-UHFFFAOYSA-N 380.904 5.751 30 40 GKEB N#C/C(=N\Nc1cccc(F)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 33860150 JTCDQTFDCAUVLF-BUVRLJJBSA-N 391.258 5.596 30 40 GKEB CCCCCCCNC(=O)CCCCCCCC(=O)NCCCCCCC 97940266 VMDNWJSYCKURAD-UHFFFAOYSA-N 382.633 5.890 30 40 GKEB CCCCCCCCCCCCCCCC/N=C/c1ccc(Cl)c(Cl)c1 104364176 FZGLRFAINISFGU-LHLOQNFPSA-N 398.462 8.894 30 40 GKEB O=C(/C=C/C=C/c1ccccc1)c1c(O)nc2ccccc2c1-c1ccccc1 226786602 SKIZCMJYWOKKAM-OCQCSWJYSA-N 377.443 6.060 30 40 GKEB CCCOc1ccc(/C=C2/S/C(=N\c3ccccc3CC)N(CC)C2=O)cc1 408915670 QLVJAJVEZGPDRC-RERTVAKNSA-N 394.540 5.662 30 40 GKEB FC(F)(F)c1ccc(N/N=C\c2cccn2-c2cccc(C(F)(F)F)c2)nc1 408931871 RJMOGQRRZVABJE-RAWMCFOBSA-N 398.310 5.356 30 40 GKEB O=C(O/N=C(/Cc1ccccc1)c1cccs1)C12CC3CC(CC(C3)C1)C2 409051926 DONZZNAAVXMNGH-GFMRDNFCSA-N 379.525 5.455 30 40 GKEB CC(C)CN1C(=O)/C(=C/c2cccs2)S/C1=N/c1ccc(Cl)cc1 409090757 QABWBLSGSZBWIC-NIQTYAIASA-N 376.934 5.662 30 40 GKEB Cc1cc(C)c2oc(-c3ccc(C)c(/N=C/c4cc(Cl)ccc4O)c3)nc2c1 2071743 YIERTSZFKCCNKW-BRJLIKDPSA-N 390.870 6.530 30 40 GKEB Clc1ccc(/C=N/C2=N[C@H](c3ccco3)[C@H](c3ccco3)S2)c(Cl)c1 59461325 BYHMDPNBWWCVOH-UTWFGLGRSA-N 391.279 6.184 30 40 GKEB COc1ccc(/C=N/CC[C@@]2(c3ccccc3)CCOC(C)(C)C2)cc1OC 96448096 KTHVRAMBASNPCB-MQHZAWOVSA-N 381.516 5.040 30 40 GKEB biogenic CCCCCCCCCCCCN[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O 97995530 NIVVQHMBAQAJCU-FQEVSTJZSA-N 392.971 5.482 30 40 GKEB F/C(=C\CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 103531293 NKICAISSEJQIBN-IWQZZHSRSA-N 396.093 5.896 30 40 GKEB C=CCN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccc(C)cc1 224691581 ZQXAQVNRLKFPJK-UHFFFAOYSA-N 389.826 5.049 30 40 GKEB C#CCOC(=O)c1cc(Cl)c(OCc2cccc3ccccc23)c(OCC)c1 226325222 SOFVCNFZZCXVKB-UHFFFAOYSA-N 394.854 5.261 30 40 GKEB COc1ccccc1/C=C/C(=O)c1c(-c2ccccc2)c2ccc(C)cc2[nH]c1=O 226775563 PXCAZPBAMCRROI-FYWRMAATSA-N 395.458 5.408 30 40 GKEB CCn1cc(/C=C2/C[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]3(C)C2=O)c(C)n1 245240926 VFYSTCQWVDOPQD-HZVHQFJUSA-N 390.527 5.036 30 40 GKEB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1cccc(F)c1)C2=O 253497830 JPKPGSNREZFIQX-WRPYWOAESA-N 394.530 5.712 30 40 GKEB CCC[P+](CCC)(CCC)C(=Nc1cc(Cl)ccc1Cl)SC 255003916 GLTAMEBMKUSYDQ-UHFFFAOYSA-N 379.357 7.592 30 40 GKEB O=C(Nc1ccccc1)c1c(/N=C\c2ccc(F)cc2)sc2c1CCCC2 408856443 KBTZSCZMSBXGMG-OYKKKHCWSA-N 378.472 5.769 30 40 GKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3cccc(OC)c3)c2C)c1 408968812 ZKBLPYOWHRMXKN-BUVRLJJBSA-N 376.456 5.030 30 40 GKEB COc1cc(N2CCCCC2)ccc1/C=N/c1ccc(Br)c(C)c1 409246816 DVWDOQRLIFOAID-HYARGMPZSA-N 387.321 5.507 30 40 GKEB O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1ccc(F)cc1)Nc1ccccc1N2 710789 GAYJOKKVLXARKJ-CMJOXMDJSA-N 390.483 5.867 30 40 GKEB COC(=O)c1ccc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)cc1 3094758 OLNPYWRMYATVJY-KOEQRZSOSA-N 381.435 5.077 30 40 GKEB CCCCCCOc1ccc(/C=N/NC(=S)Nc2cc(C)ccc2C)cc1 3267466 AXMSGZVOPQKTOJ-XQNSMLJCSA-N 383.561 5.583 30 40 GKEB Cc1cccc(C)c1/N=C1\C2=CC=CC3=CC=C[C@H](\C1=N/c1c(C)cccc1C)[C@@H]32 4293455 YPOGTCIJJHJVON-MPUFMAOJSA-N 390.530 7.004 30 40 GKEB O=C(O/N=C/c1ccc(OCc2ccccc2)cc1)c1ccc(C(F)(F)F)cc1 6223266 LVEYJTCEKJUCDW-VULFUBBASA-N 399.368 5.475 30 40 GKEB COc1ccc(/N=C/c2ccc(OCc3cccc(Cl)c3)c(OC)c2)cc1 8116589 CXWKXKPDVMFQKM-ZVHZXABRSA-N 381.859 5.687 30 40 GKEB C/C(=N\OCCOc1cccc(C(F)(F)F)c1)[C@H]1C[C@H]1c1ccc(F)cc1 12350895 PTXMICIGMHQXQP-TXCGGMSCSA-N 381.369 5.420 30 40 GKEB CCOc1cc2c3c(c1)/C(=N\c1ccc(C(C)C)cc1)C(=O)N3C(C)(C)C=C2C 12406275 YJOQHYAJQALKEG-XTCLZLMSSA-N 388.511 5.872 30 40 GKEB CC/C(C)=N\Nc1nc2cc(C)c(NC(=O)c3ccc(C)c(C)c3)c(C)c2s1 72228650 JFHGTABMTVFULE-MYYYXRDXSA-N 394.544 5.980 30 40 GKEB C/C(=N\Nc1oc(C)nc1C#N)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 98055032 NUGIFXGHBRVJSF-YSURURNPSA-N 390.390 5.438 30 40 GKEB CCC[P+](CCC)(CCC)/C(=N/c1cc(Cl)ccc1Cl)SC 100013813 GLTAMEBMKUSYDQ-JZJYNLBNSA-N 379.357 7.592 30 40 GKEB CN(C)/C=N/c1ncc(C(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)s1 100914854 SZGQZQGLTHEHAB-ZVBGSRNCSA-N 394.283 5.162 30 40 GKEB COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)cc1 408907608 BUAGWKHTFQABBW-DYEBMTOPSA-N 380.513 5.264 30 40 GKEB COc1ccc(Cl)cc1/C=N/c1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 409077371 DWYMZSWZHBYHHK-HZZGJGATSA-N 386.948 6.183 30 40 GKEB Cc1ccccc1C=Nn1c(-c2cc3ccccc3o2)nc2ccccc2c1=O 409306116 PFPUDPGROOIOTE-UHFFFAOYSA-N 379.419 5.000 30 40 GKEB Cc1ccc(NC(=O)COc2cccc(/C=N\c3ccccc3F)c2)cc1C 409370908 VHSNXKWNHMHRRX-QFEZKATASA-N 376.431 5.211 30 40 GKEB O=C(O/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccco1 5716097 OVEJKPNXFULDKP-SSDVNMTOSA-N 390.222 5.356 30 40 GKEB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccsc1/N=C/c1ccccn1 6829959 PTRTZSJBVKUXTE-UFFVCSGVSA-N 376.268 5.453 30 40 GKEB CCOc1c(Br)cc(/C=N/c2cc(Cl)ccc2C)cc1OC 6957959 LKCQKZQVOIHHPQ-KEBDBYFISA-N 382.685 5.569 30 40 GKEB Cc1ccccc1/N=C/c1ccc(OCc2cccc3ccccc23)c(Cl)c1 8570880 RDXPGTNHXJHSON-JVWAILMASA-N 385.894 7.131 30 40 GKEB CCCCC1=NN(c2ccccc2)C(=O)/C1=N\c1ccc(N(CC)CC)cc1 16638654 KMZPRDXYSCIPEI-GYHWCHFESA-N 376.504 5.198 30 40 GKEB CCCCCCCCCCC(=O)CCCC(=O)Nc1cccc2ccccc12 101674687 SHBHGZTZOXWJAD-UHFFFAOYSA-N 381.560 7.049 30 40 GKEB CC1(C)C[C@@H]2C[C@](C)(CN2CC#CCC(O)(c2ccccc2)c2ccccc2)C1 102475506 PBANIAXWFLATDN-RSXGOPAZSA-N 387.567 5.217 30 40 GKEB CCOc1ccc(/C=N\c2ccc(/C=C(\C)C(=O)OCCC(C)C)cc2)cc1 104066809 XUALOKRPDKNKGC-IYWLXYRKSA-N 379.500 5.829 30 40 GKEB CCCCCCCCOc1ccc(Cl)cc1/C=C1/SC(=S)NC1=O 408541209 YKUIZFJGQWUSJX-FOWTUZBSSA-N 383.966 5.568 30 40 GKEB Cc1ccc(/C=C2/S/C(=N\c3ccccc3)N([C@@H](C)c3ccccc3)C2=O)cc1 408907029 FZRYRBCDSOEIEM-BVTQQKMGSA-N 398.531 6.360 30 40 GKEB CCc1ccccc1-n1c(C)cc(/C=N/c2cc(C(=O)O)ccc2Cl)c1C 408963941 BGKRPBKWRKPUFO-ZMOGYAJESA-N 380.875 5.759 30 40 GKEB COc1cccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)c1O 408980122 VFUJNOMUPGHMNT-ZVHZXABRSA-N 392.524 6.323 30 40 GKEB CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=NO)CC[C@@]4(C)[C@@H]3CC[C@@]12C 669678953 QNTASHOAVRSLMD-XUJZTTFYSA-N 399.663 7.858 30 40 GKEB C=C(Br)Cn1c(-c2cccc(Br)c2)nc2ccccc21 1473080 BVCWPJMOPPTQPA-UHFFFAOYSA-N 392.094 5.374 30 40 GKEB CC(=O)Nc1cc(Cl)c(/N=C/c2cccc(Br)c2)cc1Cl 3153829 TYCCFEYNHCXSNQ-UFWORHAWSA-N 386.076 5.465 30 40 GKEB COc1ccc(/C=N/CC[C@@H](c2ccccc2OC)[C@H]2CCOC(C)(C)C2)cc1 4027011 WUVVKZOGORTHGC-UAUYQVLSSA-N 395.543 5.502 30 40 GKEB biogenic COc1ccc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)cc1OC 4544172 LRKVSPGQPQEAGT-KOEQRZSOSA-N 383.451 5.307 30 40 GKEB CCOc1cc([C@@H]2C3=C(CCCC3=O)Nc3ccc4ccccc4c32)ccc1O 4930241 UUTQZXJOZZWFEI-QHCPKHFHSA-N 385.463 5.509 30 40 GKEB Cn1c(S[C@H](C#N)Cc2ccccc2)nnc1-c1ccc(C(C)(C)C)cc1 6850702 FCTPBDRHENHPEA-IBGZPJMESA-N 376.529 5.007 30 40 GKEB CCOc1cc(/C=N/c2ccccc2)cc(Cl)c1OCc1ccc(C)cc1 6959837 ZSZQWTINXGMOIJ-MFKUBSTISA-N 379.887 6.377 30 40 GKEB CCc1ccc(/N=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1 8084736 BNEOMUHBKWZPQL-AFUMVMLFSA-N 384.306 6.885 30 40 GKEB C[C@H](Sc1nc2ccccc2o1)C(=O)Nc1sc2c(c1C#N)CCCCC2 8746074 HMZVYCMARCVULF-LBPRGKRZSA-N 397.525 5.149 30 40 GKEB Cc1ccccc1C[C@H]1S/C(=N/N=C/c2ccccc2)N(c2ccccc2)C1=O 28294296 GVJYKXMMLRULQL-IJGBZFIWSA-N 399.519 5.076 30 40 GKEB COc1cc(/C=N\Nc2cccc(Br)c2)cc(Cl)c1OC(C)C 28632553 BIXAWPPAWVOHLG-JMIUGGIZSA-N 397.700 5.344 30 40 GKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C 38845198 IIPHPVVRBVBREZ-JDIFZLMISA-N 384.648 7.453 30 40 GKEB C(#C[C@](Cc1ccccc1)(c1ccccc1)C1CCCCC1)CN1CCCCC1 96194495 XQEFZYKXDMKSHF-NDEPHWFRSA-N 385.595 6.237 30 40 GKEB CCCCCCCCCCCCCCCCn1/c(=N/C(C)=O)[nH]c2ccccc21 97949677 MFAQIOBLSLPAHE-UHFFFAOYSA-N 399.623 6.898 30 40 GKEB CCCCCCCCCCc1noc2c1/C(=N\O)C[C@H](C[C@@H](C)SCC)C2 103007869 KJKOMIKRFOOAEA-WLUNRTAJSA-N 394.625 6.630 30 40 GKEB CCCN1C(=O)/C(=C\c2ccc(OCc3ccccc3C#N)cc2)c2ccccc21 409116707 LCAZCYGZNOSSHK-JLPGSUDCSA-N 394.474 5.434 30 40 GKEB COc1ccc(/C=C2/S/C(=N/c3ccccc3)N(C3CCCC3)C2=O)cc1 4523855 ZUKJWRRRUZKGSL-MPIQAULUSA-N 378.497 5.242 30 40 GKEB CC(C)Oc1ccc(-c2nc(Oc3ccc(C#N)cc3)c3ccccc3n2)cc1 5478015 LXAUVYUXOQADKY-UHFFFAOYSA-N 381.435 5.748 30 40 GKEB CCOc1ccc(-c2csc(/C(C#N)=N\Nc3cccc(C)c3C)n2)cc1 6355343 KXCKRTKNMJNILM-PLRJNAJWSA-N 376.485 5.165 30 40 GKEB COc1cc(OC)cc(C(=O)/C(=C\c2cccs2)c2nc3ccccc3o2)c1 8990282 FJVSTUJBCWZMDE-QGOAFFKASA-N 391.448 5.330 30 40 GKEB CSC1=N/C(=N\c2cccc(Cl)c2)C2(CCCCC2)N1c1ccc(C)cc1 17241861 KGPSESVYSFQJIU-GFMRDNFCSA-N 397.975 6.621 30 40 GKEB N#C[C@H](C(=O)[C@@H]1C[C@H]1c1cccc(F)c1)c1nc(-c2c(F)cccc2F)cs1 67801430 OYIWMDPQYMJBHT-RRFJBIMHSA-N 398.409 5.207 30 40 GKEB C#Cc1ccc(C#Cc2ccc(OCCCCCCCCCCCC)cc2)cc1 98045087 QPGSWCNYEMJMMD-UHFFFAOYSA-N 386.579 7.367 30 40 GKEB O=C(/C=C\Nc1ccc(OC(F)(F)F)cc1)c1ccc(Br)cc1 100661961 MHXWFNYFANYWOP-KTKRTIGZSA-N 386.167 5.156 30 40 GKEB CCOC(=O)c1c(C)oc2c1/C(=C/Nc1ccccc1F)C(=O)c1ccccc1-2 100752537 UAHJGOOCMOKOIS-VBKFSLOCSA-N 391.398 5.220 30 40 GKEB C=C(C)C[N+]1(CC)CCN=C1CCCCCCCCCCCCCCCCC 104348554 XCBUJSPWXOTQIB-UHFFFAOYSA-N 391.708 8.073 30 40 GKEB O=C(O)c1ccc(Cn2cc(/C=N/c3ccc(F)cc3F)c3ccccc32)o1 408542336 KVDXRRFOWYFHFP-YSURURNPSA-N 380.350 5.010 30 40 GKEB O=C(COc1ccc(/C=N\c2cccc(C(F)(F)F)c2)cc1)Nc1ccccc1 408802151 XDHZALGHAPOUNI-WGARJPEWSA-N 398.384 5.474 30 40 GKEB COc1ccc(Oc2ccc(/N=C/c3ccc(N4CCOCC4)cc3)cc2)cc1 409094945 GTALIIFLSGXHMQ-XIEYBQDHSA-N 388.467 5.075 30 40 GKEB CCOC(=O)c1ccc(/N=C/c2cc(Cl)c(O[C@H](C)CC)c(OC)c2)cc1 409387770 QKFCBUIYUHFXDF-JMKVTYIUSA-N 389.879 5.453 30 40 GKEB CC(C)OC(=O)CSc1nc(-c2cccs2)cc(-c2ccccc2)c1C#N 658613 NCELXEOOVCGSAU-UHFFFAOYSA-N 394.521 5.392 30 40 GKEB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 2740050 OZAGHDQOTXPWIM-ZDUSSCGKSA-N 388.920 5.257 30 40 GKEB CCc1ccccc1NC(=O)CSc1nc2c(C)c(C)ccc2cc1C#N 4849079 CFEQPYLTNSMKMQ-UHFFFAOYSA-N 375.497 5.017 30 40 GKEB CCc1cc2c3c(c1)/C(=N\c1ccc(Cl)c(Cl)c1)C(=O)N3C(C)(C)C=C2C 12406267 OWHABUCRRJRPGX-NCELDCMTSA-N 399.321 6.219 30 40 GKEB Cc1occc1-c1nnc(SCc2ccc(-c3ccccc3C#N)cc2)n1C 12971411 VSLBYOPDQMNKNP-UHFFFAOYSA-N 386.480 5.215 30 40 GKEB CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2 21596075 ZDSJKERYGIMALP-UHFFFAOYSA-N 396.556 5.592 30 40 GKEB CCCCOc1ccc(C(=O)/C=C/Nc2cc(Cl)c(OC)cc2OC)cc1 44843277 WSIFGPBNKUPHDL-ZHACJKMWSA-N 389.879 5.345 30 40 GKEB CCCCCCCCCCCCCCCC(=O)Oc1cccc2ccccc12 59681574 IAKVKXNIMLQHPA-UHFFFAOYSA-N 382.588 8.227 30 40 GKEB in-vitro CCCCCCCC[C@@H]1S[C@@H]1CCCCCCCC(=O)N1CCOCC1 100300037 DPYGHXSTRIZSJD-LEWJYISDSA-N 383.642 5.811 30 40 GKEB C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]1C/C(=C\c1cccc(Cl)c1)C2=O 118922206 TXSSXZKDKQSEAN-GYIWABLXSA-N 397.002 7.335 30 40 GKEB O/N=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1 226339559 JVZFXMCWDKXREE-WSVATBPTSA-N 375.049 5.143 30 40 GKEB CC1=NOC(=O)/C1=C/c1ccc(OCc2cccc3ccccc23)c(Cl)c1 408935045 CCGGQARIGBZFHB-YBFXNURJSA-N 377.827 5.388 30 40 GKEB Cc1cccc(N=C2NC(=O)/C(=C/c3ccc(N4CCCCC4)cc3)S2)c1C 408960685 NTTNUYQARLUYNV-QNGOZBTKSA-N 391.540 5.185 30 40 GKEB C=CCc1cc(CNc2ccc(Oc3ccccc3)cc2)cc(OCC)c1OC 409114931 FCPYFVCTANIXIH-UHFFFAOYSA-N 389.495 6.227 30 40 GKEB CC[C@H](C)Oc1ccc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)cc1 409234426 ZYIBDLRBAPHAAB-CTGMBDDESA-N 398.503 5.627 30 40 GKEB C=CCO[C@@H]1CC2(CCN(Cc3ccc(F)c(F)c3)CC2)c2ccc(C)cc21 2055806622 BAQSGBOQWREHDL-HSZRJFAPSA-N 383.482 5.454 30 40 GKEB COc1ccc(-c2nc3ccccn3c2/N=C/c2cccc3ccccc23)cc1O 1436351 ZMOLLDKPMDLDIX-WGOQTCKBSA-N 393.446 5.619 30 40 GKEB CC[C@H]1CCc2c(sc(NC(=O)c3cc(Cl)ccc3Cl)c2C#N)C1 2737284 UBTJBDOUPQROSP-JTQLQIEISA-N 379.312 5.694 30 40 GKEB CCOc1cc(/C=N/c2cccc(C)c2C)ccc1OCc1cccc(F)c1 6961460 IBVKANWMXGLJOR-CVKSISIWSA-N 377.459 6.171 30 40 GKEB Cc1c(Cl)cccc1/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 8278083 ZECXZXAWQVUUOB-YDZHTSKRSA-N 380.831 5.886 30 40 GKEB C[C@@H]1CCC[C@@](C)(c2ccccc2)/C1=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 8619234 FSNWJVKOOXZFPU-LAHGXWJYSA-N 382.420 5.049 30 40 GKEB Cn1cc(/C=C2/Oc3cc(OC(=O)c4ccccc4)ccc3C2=O)c2ccccc21 9423374 QVIWRXZAWNAKAO-YDZHTSKRSA-N 395.414 5.014 30 40 GKEB Cc1ccc(/C=C/C(=O)c2c(C)nc3ccc(Cl)cc3c2-c2ccccc2)o1 14181562 CIBGPICZZNHDKF-ACCUITESSA-N 387.866 6.661 30 40 GKEB Cc1cc(N/C=C/C(=O)c2ccc(OCCCF)cc2)ccc1Br 100101060 SKHVDTIPGOPWJY-PKNBQFBNSA-N 392.268 5.304 30 40 GKEB CC(C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)c(C#N)c1 225761542 BZFGTDGOIZZAQO-UHFFFAOYSA-N 380.463 5.325 30 40 GKEB Cc1ccc(N2C(=O)CC[C@]2(C#N)c2ccccc2OCc2ccccc2)cc1 987624 SFWZUGZAGUFXGA-VWLOTQADSA-N 382.463 5.120 30 40 GKEB CCCOc1ccc(/C=C2/S/C(=N\c3ccc(C)c(C)c3)N(CC)C2=O)cc1 2176935 MYRQTTJIJBMTOZ-NVZLDUMVSA-N 394.540 5.716 30 40 GKEB C=CCSc1nc2sc3c(c2c(=O)n1CC(=C)C)CC[C@@H](C(C)(C)C)C3 2270747 HRUGGXZFWTVWFP-CQSZACIVSA-N 388.602 5.463 30 40 GKEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(CC)cc1 3094422 HELHPUJNDFALCL-QFIPXVFZSA-N 395.543 5.196 30 40 GKEB CCCOc1ccc([C@@H]2C3=C(CCCC3=O)Nc3ccc4ccccc4c32)cc1 4186054 ADSCEAQKSVLPCI-DEOSSOPVSA-N 383.491 6.193 30 40 GKEB c1ccc([C@@]23c4ccccc4/C(=N\C4CCCCC4)[C@@H]2N3C2CCCCC2)cc1 4877705 SHSOKWPHFHWYHE-UYYLXTPDSA-N 384.567 6.083 30 40 GKEB COc1cc(/C=N/Nc2ccccc2Cl)ccc1OC(=O)c1cccs1 4921897 RFFWSDHGWOTBOR-CIAFOILYSA-N 386.860 5.075 30 40 GKEB CCc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)cc1 8084358 HFUIAAGHVGNYON-VULFUBBASA-N 398.333 7.194 30 40 GKEB Cc1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccccc4)ccc3C2=O)cc1 9302748 YZTYCPVDCNEKPX-TZOKSIDISA-N 382.415 5.230 30 40 GKEB C=CCN(C(=O)c1csc(-c2ccco2)n1)c1nc(-c2ccccc2)cs1 12740493 MWPGAVUUYMMFJA-UHFFFAOYSA-N 393.493 5.359 30 40 GKEB O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1cccc(O)c1)Nc1ccccc1N2 18142517 MNNYYWDJMGQQHK-IQGLISFBSA-N 382.463 5.372 30 40 GKEB CCCC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(C#N)c(F)c3)cc2)CC1 100003441 KVKDTXQRPCOZPE-HDICACEKSA-N 379.475 6.381 30 40 GKEB CCCCCCCCCCCC(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 100302615 FQLBSEGUJXFREL-UHFFFAOYSA-N 394.555 7.000 30 40 GKEB N#Cc1c(/N=C\c2ccc(F)cc2)sc(-c2ccccc2)c1-c1ccccc1 101206711 DHIPRKPWALODEU-YUMHPJSZSA-N 382.463 6.843 30 40 GKEB CCCCCCCCCCCCCCCCCCNc1cc(C)nc(=S)[nH]1 102435900 SVHZGHAEQRTDMN-UHFFFAOYSA-N 393.685 8.121 30 40 GKEB CCOC(=O)c1c(C)oc2c1/C(=C\Nc1ccccc1C)C(=O)c1ccccc1-2 103165151 NAFOHCPKBQCYGN-QGOAFFKASA-N 387.435 5.389 30 40 GKEB O[C@@H]1c2cc(Cl)ccc2-c2c(/N=C\c3ccc4c(c3)OCO4)cc(Cl)cc21 104091529 OTSUYTRWZUVSMX-ZTYSJSEQSA-N 398.245 5.535 30 40 GKEB CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)ccc1OCc1ccccc1 408667106 QBWWFQKHBJQVIY-OQLLNIDSSA-N 388.463 5.569 30 40 GKEB COc1ccc(C(=O)/C=C/Nc2ccccc2Oc2ccccc2)cc1OC 409056342 CXSGJJJJSLCLMX-CCEZHUSRSA-N 375.424 5.305 30 40 GKEB CCOc1ccc(Cl)cc1/C=N\Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409095615 BNDZROQAZURDML-NKVSQWTQSA-N 387.745 5.112 30 40 GKEB CCOc1ccc(-n2c(C)cc(/C=N\c3cc([N+](=O)[O-])ccc3OC)c2C)cc1 409189638 MBNJYOOXIKUFNT-UCQKPKSFSA-N 393.443 5.160 30 40 GKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N\c2cccc(Cl)c2Cl)cc1OC 409383692 ZWHRMCKLJNUIOK-FEJWEZRGSA-N 386.706 6.583 30 40 GKEB F/C(=C/CC(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575330447 MXVNKKQSCPPTLA-HNQUOIGGSA-N 396.093 5.896 30 40 GKEB C=CCSc1nc2nccc(-c3cc4c(cc3C)NC(C)(C)C[C@H]4C)n2n1 618257351 WFPZCXLHXFTYMX-CQSZACIVSA-N 379.533 5.076 30 40 GKEB CC(C)(C)c1cc(/N=C/c2cccc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1 2267750 JYKPRBWZJBAPCC-CVKSISIWSA-N 381.560 6.741 30 40 GKEB Cc1ccccc1/C=N/c1ccc(-c2ccc(/N=C/c3ccccc3C)cc2)cc1 2842481 BMPBLUSPLPGTSG-CZYCKNNWSA-N 388.514 7.472 30 40 GKEB N#Cc1ccc(-c2ccc(OCc3nnc(-c4ccc(Cl)cc4)o3)cc2)cc1 3345708 PUJWHJQVNWTSHX-UHFFFAOYSA-N 387.826 5.508 30 40 GKEB CCOc1ccc(/N=C/c2ccccc2OCc2cccc3ccccc23)cc1 6962628 OOIPMLJJMIZJET-OVVQPSECSA-N 381.475 6.568 30 40 GKEB Cc1ccc(C)c(/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1 8368129 SUAUKSOSSVELNY-DHRITJCHSA-N 384.306 6.940 30 40 GKEB CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccc(F)c1 9015338 OPARSPAKYAGGTC-NRFANRHFSA-N 395.474 5.293 30 40 GKEB COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(Br)c1O 13137525 BIEWGRVKIRIVJZ-RUDMXATFSA-N 375.262 5.183 30 40 GKEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3cc(Cl)ccc3C)c2C)cc1 408741851 LMJVCQPGEMGSIR-ZMOGYAJESA-N 380.875 5.593 30 40 GKEB C=CCc1cc(/C=N/c2ccc([C@@H](C)CC)cc2)cc(OC)c1OCC(=O)O 408854523 HIEAZMZKRPHJPV-GCMSVZMUSA-N 381.472 5.151 30 40 GKEB CCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1 408938984 LMVPMVHULOOKQJ-WMWGNTEASA-N 394.518 6.662 30 40 GKEB CC(C)n1cc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)c2ccccc21 408962757 UNBGKFGECHHHTA-YBFXNURJSA-N 379.460 5.253 30 40 GKEB Cc1cccc(-n2c(C)cc(/C=N\c3sc4c(c3C#N)CCCC4)c2C)c1C 409063092 GTVXIWGLRMWDNJ-WGARJPEWSA-N 387.552 6.274 30 40 GKEB Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(O)c2)cc1 974254 UFGIYFPSYNNRJK-SIBVEZHUSA-N 396.490 5.680 30 40 GKEB N#Cc1ccc(-c2ccc(Cl)cc2)n(Cc2ccc(Cl)cc2Cl)c1=O 1402960 XUVKJUKNAWJOSA-UHFFFAOYSA-N 389.669 5.395 30 40 GKEB CC(C)(C)c1ccc(C(=O)C[n+]2ccc(Cc3ccc(Cl)cc3)cc2)cc1 2684345 CNKDCPFUVYDXGP-UHFFFAOYSA-N 378.923 5.399 30 40 GKEB CCOc1ccc(/C=C2\CC(C)C/C(=C\c3ccc(OCC)cc3)C2=O)cc1 3895013 XRPUTEPIASHXRJ-LPFJTETCSA-N 376.496 5.950 30 40 GKEB Clc1ccc(/C=N/Nc2nc(-c3ccc(Br)cc3)cs2)cc1 4031700 XBUFQOCMKRQGGU-DJKKODMXSA-N 392.709 5.672 30 40 GKEB C/C(=N/Nc1nc2ccccc2s1)c1ccc2c(c1)Sc1ccccc1O2 5412430 YWBRWAVVINBCAK-QRVIBDJDSA-N 389.505 6.389 30 40 GKEB CCCC[C@H]1S/C(=N\N=C\c2ccc(C)cc2)N(Cc2ccccc2C)C1=O 6592791 XAXZJBPFFIGWMZ-LSIOVLHASA-N 393.556 5.328 30 40 GKEB Cc1ccccc1/N=C1\C(=O)N(Cc2cccc3ccccc23)c2ccccc21 12463022 KLCZQKKPTZPARA-RFBIWTDZSA-N 376.459 5.816 30 40 GKEB CCCN1C/C(=C/c2ccc(Cl)cc2)C(=O)/C(=C/c2ccc(Cl)cc2)C1 15938420 YIBFHQFINCNEHO-MGYAYREDSA-N 386.322 5.755 30 40 GKEB CCSC1=C(C(=O)c2ccccc2)C(=O)C[C@H](/C=C/c2ccccc2)S1 26896841 LDGWAQHMLXJDEE-JKGDOXCYSA-N 380.534 5.622 30 40 GKEB FC(F)(F)C(F)(F)C(F)(F)c1c[nH]c(-c2ccccc2)c1Br 64220210 HLPFTOXQDQJKQJ-UHFFFAOYSA-N 390.096 5.734 30 40 GKEB FC(F)(F)C(F)(F)C(F)(F)C(Br)(C(F)(F)F)C(F)(F)F 95707974 LMULIUNHVQIBGA-UHFFFAOYSA-N 398.944 5.078 30 40 GKEB CCCCCCCOc1ccc(NC(=O)[C@H](C)Oc2c(C)cccc2C)cc1 97940385 VZBVEVYNWWHDLX-FQEVSTJZSA-N 383.532 6.059 30 40 GKEB CCCCCCCCCCCCOc1ccc(C(=O)Cc2ccccc2)c(O)c1 100934094 LDYMXJZQOXKOPY-UHFFFAOYSA-N 396.571 7.117 30 40 GKEB CCCCCCCCOc1ccc(/C=C/C(=O)c2ccc(CCCC)cc2)cc1 103012161 MXDFDYUVDBDQEI-LTGZKZEYSA-N 392.583 7.665 30 40 GKEB C[C@H]1CCC[C@@](C)(c2ccccc2)/C1=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 104072555 FSNWJVKOOXZFPU-OHKKSBLSSA-N 382.420 5.049 30 40 GKEB C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]1C/C(=C\c1ccccc1F)C2=O 118916379 OIEOFEFLLYWLLM-VRUTXCIDSA-N 380.547 6.821 30 40 GKEB C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc2ccccc2c1 225049668 UFUKYMSBHBMJPV-UHFFFAOYSA-N 391.414 5.240 30 40 GKEB Cc1cc(/C=N/c2ccc(Nc3ccccc3)cc2)c(C)n1-c1cccc(Cl)c1 408759967 PDOUHJCWIZTXEV-WPWMEQJKSA-N 399.925 7.242 30 40 GKEB CCOc1c(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)cccc1OC 408910270 JHCKXXDGKUBQEG-XGHAMVSDSA-N 396.512 5.106 30 40 GKEB N#Cc1ccc(N2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)cc1 408983815 CVXPUWNKVLJOND-XSFVSMFZSA-N 382.850 5.683 30 40 GKEB O=C1C(=Cc2ccc3c(ccn3Cc3cccc(F)c3)c2)C(=O)c2ccccc21 409232010 NHPCFWLLQDINBN-UHFFFAOYSA-N 381.406 5.291 30 40 GKEB CCCCCCCOc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1 2137266 CTRVGJLPGQGFBE-UHFFFAOYSA-N 394.540 6.412 30 40 GKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COc3ccccc3)c2C#N)C1 2744781 PGCYPNMGUGQHCL-OAHLLOKOSA-N 382.529 5.178 30 40 GKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 4073895 XIWMRKFKSRYSIJ-GYKMGIIDSA-N 382.632 7.373 30 40 GKEB endogenous,in-man CCc1cc2c(cc1/C(C)=N/N=C/c1ccc(OC)cc1)C(C)(C)CCC2(C)C 4837053 VPFUMYUBGPIUKX-XUIWWLCJSA-N 390.571 6.450 30 40 GKEB COc1ccccc1/C=C/C(=O)c1c(-c2ccccc2)c2ccccc2[nH]c1=O 4903633 UBCBJAQTMJGCMY-FOCLMDBBSA-N 381.431 5.100 30 40 GKEB O=C(/C=C/c1ccc2c(c1)OCCO2)c1ccc2c(c1)Nc1ccccc1S2 5692842 LIRFSYSQBOVACH-VMPITWQZSA-N 387.460 5.562 30 40 GKEB COc1ccc(/N=C/c2nc(-c3ccccc3)oc2OC(=O)c2ccccc2)cc1 15985559 MWIJMKYOROBDTE-PCLIKHOPSA-N 398.418 5.320 30 40 GKEB Cc1ccc(OCc2ccc(-c3nc(C#N)c(N4CCC(C)CC4)o3)o2)cc1C 33027161 LTDKGMFCCWBLPL-UHFFFAOYSA-N 391.471 5.238 30 40 GKEB Cc1cc(O)c(C(C)C)cc1/N=C1\NC(=O)S\C1=C\c1ccc(Cl)cc1 35730041 RZBWUHMYWSEBLV-GIJQJNRQSA-N 386.904 6.005 30 40 GKEB Cc1cc(Cl)ccc1OCc1nnc(SCCC#N)n1C1CCCCC1 36220121 SFQVRNPZCBGTEZ-UHFFFAOYSA-N 390.940 5.330 30 40 GKEB CC(C)C(=O)/C(=C/c1ccccc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 38600099 FCQZYAJFAUTKRU-ULJHMMPZSA-N 399.490 5.513 30 40 GKEB in-vitro Cc1nc(/C=C/c2cccc(C#N)c2)sc1C(=O)/C=C/c1cccc(C#N)c1 58367090 WFJGFTZVNVGONM-GFULKKFKSA-N 381.460 5.261 30 40 GKEB O=C(/C=C\c1ccccc1)OCCOc1ccc(/C=C\C(=O)c2ccccc2)cc1 68591982 XWOHHCSZHHLAAJ-JTFWXBGUSA-N 398.458 5.218 30 40 GKEB CCc1ccc(-n2c(C)cc(/C=N/c3cc(C(=O)O)ccc3Cl)c2C)cc1 408753465 ACASKTLVLRLICF-ZMOGYAJESA-N 380.875 5.759 30 40 GKEB CC[C@@H](C)Oc1ccc(Cl)cc1/C=N/NC(F)(F)C(F)(F)C(F)(F)F 409040647 TVUXKWDKFDRRAR-FVYVAXIKSA-N 394.718 5.231 30 40 GKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc4c(c3)OCCO4)c2C#N)C1 409090721 NYRLIEWDQFKYBO-GMJSKMFWSA-N 380.513 5.293 30 40 GKEB COc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C(C)Nc2nc3ccccc3n21 1080703 PSKAORLAFSLYAZ-QHCPKHFHSA-N 395.462 5.217 30 40 GKEB C=C1C(Cl)=C(c2ccc(C)cc2)Oc2ccccc2[C@@H]1c1ccc(OC)cc1 2107643 YRGGHHJUEBPGNT-QHCPKHFHSA-N 388.894 6.692 30 40 GKEB biogenic O=[N+]([O-])c1ccc(N/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1 4348850 AKCUOAXWDGLVBY-KEBDBYFISA-N 376.199 5.608 30 40 GKEB CC(C)[C@H]1CC[C@H](C)c2cc(C#N)c(SCc3nc4ccccc4[nH]3)nc21 6525631 VFUBCZJYTOOWEB-GOEBONIOSA-N 376.529 5.759 30 40 GKEB FC(F)(F)c1cccc(-c2ccc(/C=N/NCc3ccc(Cl)cc3)o2)c1 10118796 JQUKNSUPGQZOMJ-BRJLIKDPSA-N 378.781 5.743 30 40 GKEB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3sc(C)c(C)c3C#N)o2)cc1Cl 17081193 CDXHWEOMJGPNOQ-VQHVLOKHSA-N 396.899 6.110 30 40 GKEB CC(=O)C1=C(C)OC(C)=C[C@@]12Nc1cc(C(C)(C)C)cc(Br)c1O2 40546147 AWPVITASULFTPY-IBGZPJMESA-N 392.293 5.044 30 40 GKEB c1ccc(/N=C2/S[C@@H](c3ccccc3)CN2C23CC4CC(CC(C4)C2)C3)cc1 104313245 KHYPIIHHYPGAMH-AIBCUBSWSA-N 388.580 6.433 30 40 GKEB CC(C)N1c2ccc(/C=N\NC(=S)Nc3ccccc3)cc2[C@@H](C)CC1(C)C 223548184 IWTJTEXMIUGWPN-HZRSJKMUSA-N 394.588 5.508 30 40 GKEB C=CCSc1ccccc1C(=O)Nc1nnc(SCc2ccccc2)s1 223967772 KIVIQCILDQLTPJ-UHFFFAOYSA-N 399.566 5.361 30 40 GKEB Cc1ccc(C(=O)/C=C/c2cc(C)n(-c3ccccc3Br)c2C)cc1 408692812 VZGCDBDNDOWAFQ-OUKQBFOZSA-N 394.312 6.061 30 40 GKEB C=CCc1cc(C=O)cc(Br)c1OCc1cccc2ccccc12 408852619 UXYLYDUNYQZZAE-UHFFFAOYSA-N 381.269 5.722 30 40 GKEB Cc1cccc(-n2cccc2/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 409103672 BAKBDZWARPIZBR-FSJBWODESA-N 388.349 5.159 30 40 GKEB Cc1cccc(NC(=O)COc2cccc(/C=N\c3cccc(Cl)c3C)c2)c1 409214178 RMPXVJYCMGMRMQ-QFEZKATASA-N 392.886 5.725 30 40 GKEB CCOc1cc(-c2nc3ccccn3c2/N=C/c2ccc(Cl)cc2)ccc1O 714052 DINFUCDBVOLTDK-ZVHZXABRSA-N 391.858 5.510 30 40 GKEB CC1=C(C(=O)c2ccccc2)[C@@H](c2ccccc2Cl)n2c(nc3ccccc32)N1 1069468 WBTHSFJGLHKKHS-JOCHJYFZSA-N 399.881 5.862 30 40 GKEB Cc1cccc(/C=N/c2ccc(-c3ccc(/N=C/c4cccc(C)c4)cc3)cc2)c1 2854131 AQQBLBMYFVTIDU-CZYCKNNWSA-N 388.514 7.472 30 40 GKEB COc1ccc(O)c(/C=N/c2cc(-c3nc4cc(Cl)ccc4o3)ccc2C)c1 5417171 ZQUHWWVSUKWHKK-WYMPLXKRSA-N 392.842 5.921 30 40 GKEB C[C@H](/C=N/NC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 5417694 NMYLZOHYVZJUPI-WMJRALALSA-N 385.842 5.435 30 40 GKEB CC/N=C1\S/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)N1CC 5523084 YANNDGZZTDGDJK-NVZUXIBTSA-N 388.577 5.299 30 40 GKEB OC1=N/C(=N\c2cccc(Br)c2)S/C1=C\c1cccc(F)c1 6926041 FSLGYMQLYRIPRQ-ZSOIEALJSA-N 377.238 5.320 30 40 GKEB O=C(Nc1cccc(Cl)c1)O/N=C(/C(=O)c1ccccc1)c1ccccc1 6927187 WXYWFNZYJNUQFC-LYBHJNIJSA-N 378.815 5.176 30 40 GKEB COc1cc(/C=C/C(=O)c2ccc(OCCC(C)C)cc2)cc(Cl)c1OC 13039399 NRSVZJLCFKGFGI-BJMVGYQFSA-N 388.891 5.678 30 40 GKEB O=C(/C=C\Nc1cc(Cl)ccc1C(=O)c1ccccc1)c1ccc(F)cc1 16477013 FKHKFLQEMKGABO-SEYXRHQNSA-N 379.818 5.519 30 40 GKEB CSc1nc(NC2CCCCC2)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 19820373 WTOCLIBBOPYQQJ-UHFFFAOYSA-N 380.561 5.779 30 40 GKEB Cc1ccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CCCC4)no2)cc1C 27582338 QRMWGUDXKSWFRO-UHFFFAOYSA-N 377.469 5.023 30 40 GKEB CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccc(C(=O)O)c(Cl)c2)c1C 408961609 SYAVNGINWJIBRJ-DHRITJCHSA-N 394.902 6.067 30 40 GKEB Cc1cc(/C=N\Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1ccc(Cl)cc1 409067540 FERAUIMCSKWPMD-MRUKODCESA-N 392.812 5.607 30 40 GKEB COc1cccc(Oc2ccc(/N=C/c3ccc(N4CCOCC4)cc3)cc2)c1 409086926 HYICRRNBTUEJDQ-XIEYBQDHSA-N 388.467 5.075 30 40 GKEB O=C1N/C(=N/c2cc(C(F)(F)F)ccc2Cl)S/C1=C\c1ccccc1 5376274 WHXZULRHSFZKAX-ZSOIEALJSA-N 382.794 5.250 30 40 GKEB CN(C)c1ccc(/C=N/Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 5393680 HPPKDVBTBXRSEP-KOEQRZSOSA-N 398.535 5.989 30 40 GKEB Clc1ccccc1CN/N=C/c1ccc(-c2ccc(Br)cc2)o1 8811432 BESLALWRSNAVPX-WSDLNYQXSA-N 389.680 5.486 30 40 GKEB Cc1ccc(C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3o2)cc1 12946472 CQUNDQQCRDSTQT-RGEXLXHISA-N 384.391 5.468 30 40 GKEB Cc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1cccc(C(F)(F)F)c1 16284602 VYJSQICIZLJLJQ-SNBQNJOHSA-N 386.417 5.767 30 40 GKEB N#Cc1ccc(Sc2nc(-c3ccccc3)c(-c3ccccc3)o2)c([N+](=O)[O-])c1 16492268 BWIPSILSDLMMRX-UHFFFAOYSA-N 399.431 5.940 30 40 GKEB CC(C)(C#N)c1ccc(Nc2c(N)cnc3ccc(Br)cc23)cc1 33359413 FVQNIUZKXMCFME-UHFFFAOYSA-N 381.277 5.124 30 40 GKEB in-vitro O=C1/C(=C\c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)COc2ccccc21 35087392 BCNDZVBWORIPGI-PTNGSMBKSA-N 391.354 5.185 30 40 GKEB C=CCOc1ccc(CNc2ccc(Br)c(Cl)c2)cc1OCC 408553747 BCAQLYZSRLMKQQ-UHFFFAOYSA-N 396.712 5.678 30 40 GKEB N#Cc1ccccc1CO/N=C/c1ccc(Sc2ccc(Cl)cc2)s1 408595211 LFTPIJXDQBYDHZ-WSDLNYQXSA-N 384.913 5.975 30 40 GKEB Cc1cc(/C=N/c2ccc(C(=O)O)c(Cl)c2)c(C)n1-c1cccc(Cl)c1 408758995 WFQCPGMGSWQNLF-FOKLQQMPSA-N 387.266 5.850 30 40 GKEB CCc1ccccc1/N=C/c1cc(C)n(-c2ccc(Cl)c(C(=O)O)c2)c1C 408953604 WSYOCTCZLZKEGQ-ZMOGYAJESA-N 380.875 5.759 30 40 GKEB CC(C)(C)c1ccc(/N=C\c2cc(Br)c(Br)o2)cc1 408953872 QJZGYUQSPRDOQS-NVMNQCDNSA-N 385.099 5.853 30 40 GKEB C#CCOc1c(Cl)cc(/C=C2\SC(=O)N(CCCCC)C2=O)cc1Cl 409200184 HJNJAOFBXNLCBL-PTNGSMBKSA-N 398.311 5.232 30 40 GKEB N#C/C(=N\Nc1cc(Cl)cc(Cl)c1)c1nc(-c2ccc(F)cc2)cs1 4175492 LMHWCBYGQDKEJN-BUVRLJJBSA-N 391.258 5.596 30 40 GKEB C=CCOc1ccc(Br)cc1/C=N/Nc1nc2ccccc2s1 4545167 JGIQXKPFWSHWML-YBFXNURJSA-N 388.290 5.070 30 40 GKEB C[C@@H](Oc1ccc(-c2ccc(C#N)cc2)cc1)C(=O)N[C@@H]1CCCc2ccccc21 5406937 BDNHKOIJQCTTKP-IQGLISFBSA-N 396.490 5.186 30 40 GKEB CCOc1cc(/C=N/Nc2ccccc2)ccc1OCc1cccc2ccccc12 5953511 HZJRLVPOWBGGBY-OVVQPSECSA-N 396.490 6.264 30 40 GKEB CC[C@H](C)c1ccc(C(=O)/C(=C(/S)Nc2ccccc2)[n+]2ccccc2)cc1 6566199 GHRGFAPEVRHQNY-SFHVURJKSA-O 389.544 5.539 30 40 GKEB CCc1ccc(/N=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1 8084127 ACVYOYBRVYNDHT-OGLMXYFKSA-N 383.466 6.871 30 40 GKEB C[C@H](Sc1ccc(Cl)c(C(F)(F)F)c1)C(=O)NC1(C#N)CCCCC1 8153672 REQSCMOMDONJCY-NSHDSACASA-N 390.858 5.182 30 40 GKEB Cc1nn2c3ccccc3n(C)c2c1C(=O)/C=C/c1cccc(C(F)(F)F)c1 8337860 VLMYZSOLBAMREF-ZHACJKMWSA-N 383.373 5.049 30 40 GKEB C=CCOc1ccc(/C=N/NCc2c(Cl)cccc2Cl)cc1OCC 9197330 KLRKCKHLCZEHEN-WSDLNYQXSA-N 379.287 5.081 30 40 GKEB O=C1/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)Sc2ccccc21 16524265 MWUKFNSGWRPWGJ-VCHYOVAHSA-N 383.812 5.838 30 40 GKEB C[C@@H](Cc1ccccc1)Nc1nc(-c2ccccc2)c2c(c1C#N)CC(C)(C)OC2 20829000 KNJRUHCYNGBEKK-SFHVURJKSA-N 397.522 5.515 30 40 GKEB C=C1CC[C@@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]12 90450379 QYSXJUFSXHHAJI-FRIDHBBTSA-N 384.648 7.619 30 40 GKEB in-vitro N#Cc1nc([C@H]2C[C@@H]2c2ccccc2)oc1N1CCC(Cc2ccccc2)CC1 96346651 ZTAYBSVDLKTBQJ-YADHBBJMSA-N 383.495 5.276 30 40 GKEB CCCCCCCCCCCCCCCCCCCC(=O)CO[C@@H](O)CO 100503513 GIISRQIHTLIGDA-HSZRJFAPSA-N 386.617 5.925 30 40 GKEB CCCCCCCCCCCCCCCCCCOc1ccc(Cl)cc1 104156313 IHFZJSHZHYNVIT-UHFFFAOYSA-N 381.044 8.980 30 40 GKEB CCC(C)(C)[C@H]1CCC(=O)/C(=C/Nc2ccc(Oc3ccccc3Cl)cc2)C1 408563947 SNNRQDZENOREQK-GVJQPLCZSA-N 397.946 7.234 30 40 GKEB CC[C@@H](C)N1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)S/C1=N\c1ccc(C)cc1 408916237 WJQJVLVYADIWJN-YWRZKIKVSA-N 395.484 5.306 30 40 GKEB CC(C)(C)c1cc(/C=N\Nc2ccc(C(F)(F)F)cc2)cc(C(C)(C)C)c1O 408932243 BRBZHJNIYIMKKN-ZMFRSBBQSA-N 392.465 6.452 30 40 GKEB Cc1ccc(/N=C\c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)cc1[N+](=O)[O-] 409078680 JFYWDNXOBXKVHT-QFEZKATASA-N 390.483 5.827 30 40 GKEB O=[N+]([O-])c1ccc(Sc2ccc(/N=C/c3cc([N+](=O)[O-])ccc3O)cc2)cc1 409095708 IHCPKCKFZVFQIR-UDWIEESQSA-N 395.396 5.110 30 40 GKEB CCOC(=O)c1sc(NC(=O)c2ccccc2C)c(C#N)c1-c1ccccc1 409109731 KAIANAAJYPLHPN-UHFFFAOYSA-N 390.464 5.024 30 40 GKEB CN(C)c1ccc(/C=N/c2nc(-c3ccc(Br)cc3)cs2)cc1 799908 FWKMNDKHBQRWJA-RGVLZGJSSA-N 386.318 5.389 30 40 GKEB C1=C(/C=N/Nc2ncnc3scc(-c4ccccc4)c23)COc2ccccc21 2344377 QCHAUOTXTRVISY-OPEKNORGSA-N 384.464 5.232 30 40 GKEB CCCCOc1ccc(C(C)(C)CC(C)(C)C)cc1/N=C/c1ccccc1O 3018408 ZVINDAMCHNGCIQ-YZSQISJMSA-N 381.560 7.036 30 40 GKEB CCCCCCCc1ccc(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)cc1 3064757 XSQVYEWBLVGAAQ-UHFFFAOYSA-N 397.518 6.957 30 40 GKEB O=C(/C=C/Nc1ccc(OC(F)(F)F)cc1)c1ccc(Br)cc1 5331346 MHXWFNYFANYWOP-MDZDMXLPSA-N 386.167 5.156 30 40 GKEB COc1ccccc1/C=N/c1oc(-c2ccccc2)c(-c2ccccc2)c1C#N 6182567 ADMFXCFUICUHBF-WPWMEQJKSA-N 378.431 6.244 30 40 GKEB CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccc1 6620728 BHLSWCHAQCHCNV-OAQYLSRUSA-N 377.484 5.154 30 40 GKEB Cc1ccccc1[C@H]1C2=C(C[C@H](c3ccco3)CC2=O)Nc2nc3ccccc3n21 7495973 YSCAAUYCTFNRIO-FYSMJZIKSA-N 395.462 5.353 30 40 GKEB C=C(C)CSc1nc2c(c(=O)[nH]1)[C@](C)(C1CCCCC1)Cc1ccccc1-2 9698134 UXUIPHUVIBEZPA-QHCPKHFHSA-N 380.557 5.499 30 40 GKEB COc1ccc(/C=C/C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2)cc1 13406620 FXZNENPOJIKRBN-JYFOCSDGSA-N 384.431 5.210 30 40 GKEB COc1ccccc1N1C(S)=N/C(=N\c2c(C)cccc2C)C12CCCC2 13635236 LBNDWPBDALEETI-UHFFFAOYSA-N 379.529 5.461 30 40 GKEB C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccc(NC(C)=O)cc1 16711491 IERMJVLUJRXSGQ-ATJXCDBQSA-N 383.904 5.247 30 40 GKEB S=C(N/C(=N/C=C(Cl)Cl)c1ccccc1)Nc1ccc(Cl)cc1 17201412 DEFSGJAOXKFHPN-UHFFFAOYSA-N 384.719 5.350 30 40 GKEB C[C@H]1CCCC/C1=N\SC(c1ccccc1)(c1ccccc1)c1ccccc1 17860568 VICRXONXPPCOQD-WOSBWRHYSA-N 385.576 7.278 30 40 GKEB c1ccc(N/N=C(C(=N\Nc2ccccc2)\c2ccccc2)/c2ccccc2)cc1 17995131 ZYBRJAQAIDDAIV-ZUSIYWPSSA-N 390.490 6.019 30 40 GKEB CCCC(C)(C)[C@H]1C/C(=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H](C)C1 36354890 DIYFSYBOKDUFNM-FRQMUMDUSA-N 376.457 5.533 30 40 GKEB COc1ccccc1C(=O)/C(=C/c1c[nH]c2ccccc12)c1nc2ccccc2[nH]1 50647526 RIGOXTCDYMKNEQ-RGEXLXHISA-N 393.446 5.476 30 40 GKEB Cc1cc(/C=N/c2cccc(Cl)c2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 59303461 GDXFVMCNFVPNBI-FOKLQQMPSA-N 387.266 5.850 30 40 GKEB COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)/C(=C/c2ccc(C(C)C)cc2)C1=O 59516324 ZLUMKFWVUOLECA-HYARGMPZSA-N 389.495 5.304 30 40 GKEB C=CCOC(=O)c1cc(-c2ccc(F)cc2)nc2ccc(Br)cc12 226360108 ASSKBZXEZJBHLA-UHFFFAOYSA-N 386.220 5.146 30 40 GKEB Cc1oc(/N=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)c(C#N)c1C 409140763 ILCRMADZOWDACY-OPEKNORGSA-N 399.277 6.405 30 40 GKEB Cc1ccccc1Cn1cc(C=C2C(=O)c3ccccc3C2=O)c2ccccc21 409392979 UNZAYJUOBRTTFD-UHFFFAOYSA-N 377.443 5.461 30 40 GKEB C=C(C)[C@H]1C[C@H](c2ccc(Cl)cc2)[C@H](CC)O[C@@H]1c1ccc(C(=O)O)cc1 2037853936 DZVOSXJYTOKEBI-YUMYIRISSA-N 384.903 6.254 30 40 GKEB O=C(Nc1ccc(SC(F)(F)C(F)(F)C(F)(F)F)cc1)c1cccnc1 1792932 SVFUQAWCYCGOQN-UHFFFAOYSA-N 398.303 5.216 30 40 GKEB COc1cccc(-c2nc3cc(/N=C/C=C/c4ccccc4[N+](=O)[O-])ccc3o2)c1 3169785 IIVXSMVTXXDIAQ-FKORGFIESA-N 399.406 5.827 30 40 GKEB CC(=O)c1ccc(N(C(=O)c2ccc(C#N)cc2)c2nc3ccccc3s2)cc1 3431545 ARFNAQTUNCVXMI-UHFFFAOYSA-N 397.459 5.349 30 40 GKEB S=c1[nH]nc(C2CCCCC2)n1/N=C\c1ccc(OCc2ccccc2)cc1 5543467 OGBFWWWIFVISIH-HAHDFKILSA-N 392.528 5.450 30 40 GKEB C=CCOc1ccc(/C=C2\S/C(=N/c3cccc(Cl)c3C)NC2=O)cc1 15016097 MXEANKLLKZSKMY-PDGQHHTCSA-N 384.888 5.105 30 40 GKEB Cc1c(CCC(C)C)c(N[C@@H](C)c2ccccc2)n2c(nc3ccccc32)c1C#N 16249427 QWEACKPYWGXTHZ-IBGZPJMESA-N 396.538 6.429 30 40 GKEB C=CCOc1ccc(C(=O)N(Cc2cccs2)c2cccc(Cl)c2)cc1 27664007 YQCBHSRBZVROFT-UHFFFAOYSA-N 383.900 5.813 30 40 GKEB C=CCOc1ccc(CN(C)C(=O)c2nc(-c3ccc(Cl)cc3)oc2C)cc1 28418142 XCLGXJDSXFKQJM-UHFFFAOYSA-N 396.874 5.140 30 40 GKEB N#Cc1ccc(/C=C(/Cl)c2nc(O)c3c(-c4cccs4)csc3n2)cc1 33466726 KYWLNSAHDNVCQW-RIYZIHGNSA-N 395.896 5.734 30 40 GKEB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1sc2ccccc2c1C#N 100931058 DNGPBUVAUMLHGY-GZTJUZNOSA-N 392.871 5.145 30 40 GKEB C=CCn1c(C)cc(C(=O)[C@@H](C#N)C(=O)c2cc3c(ccc4ccccc43)[nH]2)c1C 101351868 BELUZYPYTFXHRS-OAQYLSRUSA-N 395.462 5.131 30 40 GKEB CC(C)CCN1C(=O)/C(=N\Nc2ccnc3cc(Cl)ccc23)c2ccccc21 102981257 RDHJAGNSSKFHSS-QLYXXIJNSA-N 392.890 5.097 30 40 GKEB Cc1c(Cl)cccc1NN=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 250886731 IIACFKSYHZBBES-UHFFFAOYSA-N 379.674 6.661 30 40 GKEB COC(=O)c1cccc(Cn2cc(/C=N/c3cccc(OC)c3)c3ccccc32)c1 408542355 LCLUWQVLGBIEBD-CVKSISIWSA-N 398.462 5.235 30 40 GKEB O=C(O/N=C(/Cc1ccc([N+](=O)[O-])cc1)c1ccccc1)c1ccccc1Cl 408723444 UYYFJUURVXCDQK-ATJXCDBQSA-N 394.814 5.052 30 40 GKEB Oc1ccc(/C=N\c2ccc(Cl)c(Cl)c2)cc1I 408963698 OOJDXPROAAFXNU-IDUWFGFVSA-N 392.023 5.054 30 40 GKEB CCc1ccc(/N=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1 408964451 CKSAMKJHFOLMAD-MFKUBSTISA-N 389.451 5.285 30 40 GKEB CC[C@@H](C)c1ccc(/N=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cc1 408965385 GTFFVTHMWAQBFR-AZFHEMCLSA-N 386.583 7.656 30 40 GKEB Fc1ccc(-c2ccc(/C=N/c3ccc4oc(-c5ccccc5)nc4c3)o2)cc1 1021881 WFVOCBBCSRCXAW-CVKSISIWSA-N 382.394 6.645 30 40 GKEB O=[N+]([O-])c1cc(Cl)cc(/C=N/c2cc(C(F)(F)F)ccc2Cl)c1O 5670561 CLVJVOYRNHYYDG-CGOBSMCZSA-N 379.121 5.377 30 40 GKEB C=CCn1c(SCc2nc3ccccc3s2)nc2cc(Cl)ccc2c1=O 9085387 YADANIFZPNJNNP-UHFFFAOYSA-N 399.928 5.138 30 40 GKEB CSC1=N/C(=N\c2c(C)cccc2C)C2(CCCCC2)N1c1ccccc1C 13739299 ZHLZFQGZKZOHGK-LVWGJNHUSA-N 391.584 6.584 30 40 GKEB COc1ccc(-c2nnc(SCc3ccc(-c4ccccc4C#N)cc3)o2)cc1 22409785 QEBXBGCVAKEUAB-UHFFFAOYSA-N 399.475 5.576 30 40 GKEB CCSC1=C(C(=O)c2ccccc2)C(=O)C[C@@H](c2ccc3c(c2)OCO3)S1 26896824 RGBNKSGPGFGAPV-SFHVURJKSA-N 398.505 5.010 30 40 GKEB Brc1cc(/C=N/c2ccc(-c3ccccc3)cc2)oc1N1CCCC1 59248711 IBBWYGBZECZWOP-HZHRSRAPSA-N 395.300 6.060 30 40 GKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc4ccccc4c3)c2C)cc1 100212108 HHAVXVJNFLTBDN-WPWMEQJKSA-N 396.490 6.175 30 40 GKEB CCCCCCCCCC(=O)OC(CC[C@@H]1CCCO1)CC[C@H]1CCCO1 100300356 ZKPYPYMRRDEUDP-CBQGHPETSA-N 382.585 5.957 30 40 GKEB CCCCCCCCCCCCCCCCCC(=O)CC(=O)C(F)(F)F 104214546 ZTJSIHRVPMUYDO-UHFFFAOYSA-N 378.519 7.339 30 40 GKEB CCCCCCCCCCCCCCCC/N=C/c1cc(Cl)ccc1O 104363807 CWMVHMKAKGUVAY-LKUDQCMESA-N 380.016 7.946 30 40 GKEB Cc1cc([N+](=O)[O-])ccc1/N=C/c1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C 146046862 JIBFGGHAYHEXLE-MFKUBSTISA-N 389.499 6.359 30 40 GKEB CCCCCCCCCC/C=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 167875970 RAQFLOSJQUOABH-QXMHVHEDSA-N 386.342 7.542 30 40 GKEB Cc1cc(C)cc(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1 408628870 FLPAWKLSAWEVEJ-MRXNPFEDSA-N 396.556 5.405 30 40 GKEB CCN(CC)c1ccc(/C=N/N=C(/C(=O)c2ccccc2)c2ccccc2)cc1 3374933 KUHYQQZOUIPOOX-LEXLDCMNSA-N 383.495 5.239 30 40 GKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@@H]2c1ccccc1Cl 4044537 QLPRWVNIPWZEEB-QHCPKHFHSA-N 387.910 6.694 30 40 GKEB O=C1N/C(=N/c2ccccc2C(F)(F)F)S/C1=C\c1ccccc1Cl 5550957 NPIJTJVTGQRDPZ-ZROIWOOFSA-N 382.794 5.250 30 40 GKEB COc1ccc2ccccc2c1/C=N/N=C(/C(=O)c1ccccc1)c1ccccc1 5560723 KUYPVYNOWUHZJI-TVLFCFFTSA-N 392.458 5.555 30 40 GKEB N#CCCn1nc(-c2ccccc2)c2c1Nc1ccccc1N[C@H]2c1cccnc1 7778765 DOSBQOVSAZMDHO-QFIPXVFZSA-N 392.466 5.117 30 40 GKEB N#Cc1c(NC(=O)c2ccc(CSc3ccccc3)o2)sc2c1CCCC2 11859872 LQZWCVGTBNWIBE-UHFFFAOYSA-N 394.521 5.636 30 40 GKEB FC(F)(F)c1cccc(-c2ccc(/C=N/Nc3nc4ccccc4s3)o2)c1 15012185 VLIBQVOSMRGKBJ-FOKLQQMPSA-N 387.386 6.021 30 40 GKEB N#Cc1c(C(F)(F)F)cc(-c2ccco2)nc1SCc1ccc(F)cc1 19074812 AIOQTLYPWAVMOF-UHFFFAOYSA-N 378.350 5.663 30 40 GKEB C=CCN(C(=O)c1ccc2ncsc2c1)c1nc(-c2ccccc2)cs1 20915399 UUTGGPPHMQHFPP-UHFFFAOYSA-N 377.494 5.253 30 40 GKEB O=[N+]([O-])c1ccc(N/N=C\c2ccc(OCc3cccc4ccccc34)cc2)nc1 33711901 SFOWSFRAUJGEOT-QFEZKATASA-N 398.422 5.168 30 40 GKEB CCCCCCCCCCC[C@H](O)CC(=O)[C@H](CCCCCC)C(=O)OC 97978735 LCYXCWLJSOHFFX-SFTDATJTSA-N 384.601 5.987 30 40 GKEB in-vitro O=C(NCc1ccccc1)c1c(/N=C\c2ccc(O)cc2)sc2c1CCCC2 100952581 VOKMILHCLAZPNO-MYYYXRDXSA-N 390.508 5.013 30 40 GKEB CCCCCCCCCCCCCCCCCC(=O)NCc1ccccc1F 101672605 HKWHMEKCYXMJFO-UHFFFAOYSA-N 391.615 7.703 30 40 GKEB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@]43C)[C@@H]1C/C(=C\c1ccccc1Cl)C2=O 253499765 ABPLWVLRVBSYHB-KRSKQDQGSA-N 397.002 7.335 30 40 GKEB CCCCCCCc1nnc(SCC(=O)Nc2cccc3ccccc23)n1C 408562939 SKYYZUOWWGCNMT-UHFFFAOYSA-N 396.560 5.212 30 40 GKEB O=C1/C(=C\c2cccc(O)c2)S/C(=N\c2ccccc2)N1Cc1ccccc1 408907059 LIOYQLJSAYMMQH-NVZLDUMVSA-N 386.476 5.196 30 40 GKEB CCCOc1ccc(/C=C2/S/C(=N\c3cc(C)ccc3C)N(CC)C2=O)cc1 408910547 XDLACQHWRHCJLA-NVZLDUMVSA-N 394.540 5.716 30 40 GKEB Cc1ccsc1/C=N\c1sc2c(c1C(=O)NCc1ccco1)CCCC2 409088198 FKEYKVWDDYUNOK-UUYOSTAYSA-N 384.526 5.270 30 40 GKEB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/Sc3ccccc3C2=O)o1 656875 CJNARFWTZFZHOB-YBFXNURJSA-N 379.393 5.193 30 40 GKEB Cc1ccc(N2C(=O)C(O)=C(C(=O)/C=C/c3ccccc3)[C@@H]2c2ccccc2)cc1 721228 AEASYVZYAQJXBT-DTKKNGCVSA-N 395.458 5.178 30 40 GKEB O=C1C(=C(c2ccccc2)c2ccccc2)C(Cl)=C(Cl)c2ccccc21 1782859 MOCGBMCWIYIWHB-UHFFFAOYSA-N 377.270 6.531 30 40 GKEB CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1Nc1ccc(C#N)cc1 5520857 REPQHESMVGYORR-UHFFFAOYSA-N 385.345 5.046 30 40 GKEB N#Cc1oc2ccccc2c1NC(=O)CSc1nc(-c2ccccc2)cs1 7778928 WPBKMVJRJAYBEG-UHFFFAOYSA-N 391.477 5.159 30 40 GKEB C/C=C/Oc1ccc(C(=O)/C(=C\c2ccncc2)c2nc3ccccc3o2)cc1 9422068 NTAVTQYFCKOBOJ-ITIYWKAFSA-N 382.419 5.559 30 40 GKEB CN(Cc1cccc(F)c1)C(=O)c1ccccc1Sc1ccccc1C#N 12901905 XENVTBAXLWHVED-UHFFFAOYSA-N 376.456 5.121 30 40 GKEB COc1c(Cl)cc(Cl)cc1C(=O)/C=C\c1c(Cl)cccc1Cl 33376741 IFUKIGXRDYHSPU-WAYWQWQTSA-N 376.066 6.205 30 40 GKEB CC(C)(C)N(CC#CC[C@](O)(c1ccccc1)C1CCCC1)Cc1ccccc1 96194479 GNVIQKGQOCQHKI-MHZLTWQESA-N 389.583 5.759 30 40 GKEB FC(F)(F)c1c(Cl)c(C(F)(F)F)c(Cl)c(C(F)(F)F)c1Cl 97949842 ZKLBYVLEBIWSAL-UHFFFAOYSA-N 385.440 6.703 30 40 GKEB COc1cccc(/C=N/c2cccc(NC(=O)c3cc4ccccc4o3)c2)c1O 98086855 XZKLLJCSAWYRPJ-ZVHZXABRSA-N 386.407 5.150 30 40 GKEB CC(C)(C)/N=C1\[C@@H](N2CCCCC2)C2(CCCCC2)C(=O)N1c1ccccc1 101377397 BLBUNNYDGLQOCO-YXQDFNCHSA-N 381.564 5.035 30 40 GKEB COc1cccc(/C=N/c2ccc3c(c2)nc(C)n3Cc2ccccc2)c1OC 102232194 UCMWNTPNBDBOKO-MFKUBSTISA-N 385.467 5.161 30 40 GKEB CCCCCCCNCc1ccc(OCc2ccc(Cl)cc2)c(OCC)c1 102568272 IIZNRDGLTPMEHT-UHFFFAOYSA-N 389.967 6.378 30 40 GKEB CCCCCCCOc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1 103557398 BDQMWWHMBRWIMI-PTGBLXJZSA-N 376.500 5.842 30 40 GKEB CCCCCCCCCCCCCCCC[N+](C)(CCO)Cc1c[nH]cn1 104190405 SJZHSQYMIOJPQT-UHFFFAOYSA-N 380.641 5.830 30 40 GKEB N#Cc1c(Cc2cccc3ccccc23)nn(Cc2cccc3ccccc23)c1N 225848856 XVNNXQZTLSCBBI-UHFFFAOYSA-N 388.474 5.282 30 40 GKEB C[C@]12CCCC[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)C(=O)C(=C3Nc4ccccc4N3)C[C@H]12 253499670 LSAJYPFOWSXELJ-ZDVYZBNDSA-N 390.571 6.347 30 40 GKEB COc1ccc(Cl)cc1-n1c(C)cc(/C=C/C(=O)c2ccc(C)cc2)c1C 408692138 FFAAGJDDTCLYKM-PKNBQFBNSA-N 379.887 5.961 30 40 GKEB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/Nc2nc3ccccc3s2)o1 408724840 BMTZLPGTPRAJLL-RGVLZGJSSA-N 378.413 5.219 30 40 GKEB COc1ccc(/C=C/C(=O)c2ccc(N3Cc4cc(C)c(C)cc4C3)cc2)cc1 408733297 XEFASQFTRFYQPA-AWNIVKPZSA-N 383.491 5.728 30 40 GKEB C(=N/c1ccccc1)\c1c(OCc2cccc3ccccc23)ccc2ccccc12 409208960 BBOPLFVYECDAQV-VUTHCHCSSA-N 387.482 7.323 30 40 GKEB O=C(O)c1ccc(-n2cccc2/C=N/c2ccc(Oc3ccccc3)cc2)cc1 409242166 NDXRWSCGWGFGPQ-KOEQRZSOSA-N 382.419 5.718 30 40 GKEB C=CCn1c(Cc2ccccc2)nnc1SCc1ccc(Cl)cc1Cl 409330318 KQWVNUIZLDRGIK-UHFFFAOYSA-N 390.339 5.654 30 40 GKEB N#C[C@@]1(Cc2ccccc2Cl)c2ccccc2C=CN1C(=O)c1ccccc1 629039 XAOLJOPFKCXITG-DEOSSOPVSA-N 384.866 5.428 30 40 GKEB aggregator O=C1[C@@H](Cc2ccc(Cl)cc2)S/C(=N\c2ccccc2)N1c1ccccc1 2671067 SDXCFJFOGRYORC-ZGKFLROHSA-N 392.911 5.719 30 40 GKEB FC(F)(F)c1cccc(N2CCC(/N=C/c3ccccc3C(F)(F)F)=N2)c1 3178828 MLKYFFLNNGGCRF-OPEKNORGSA-N 385.311 5.367 30 40 GKEB Cc1ccc(C(=O)O)cc1-c1ccc(/C=N\Nc2nc3ccccc3s2)o1 4680327 JEHOMYQMKQEVIN-NHDPSOOVSA-N 377.425 5.009 30 40 GKEB Cc1cc(/C=N/c2ccc(Br)cc2)c(C)n1-c1cccc([N+](=O)[O-])c1 4740746 ANBAJXLDDMRABB-CIAFOILYSA-N 398.260 5.515 30 40 GKEB CCCc1sc(N/N=C/c2cccnc2)nc1-c1ccc(Cl)c(Cl)c1 4893261 LIXCHWCJAODSOK-SSDVNMTOSA-N 391.327 5.910 30 40 GKEB CC(=O)Nc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 6295982 CMIQHQDKMCHDJI-ANDSAHIGSA-N 379.529 5.480 30 40 GKEB CCCCCCCCCCOc1ccc(NC(=O)Nc2c(C)cccc2C)cc1 8427387 FYXFRWCADPLNHJ-UHFFFAOYSA-N 396.575 7.467 30 40 GKEB C=CCn1c(COc2cccc(C)c2C)nnc1SCc1ccc(Cl)cc1 14126684 QHQZLRBLHHNOBU-UHFFFAOYSA-N 399.947 5.606 30 40 GKEB COc1ccccc1CN/N=C/c1ccc(OCc2cccc(Cl)c2)cc1 20762836 VBFCDTLEMYQJMY-ZVHZXABRSA-N 380.875 5.051 30 40 GKEB O=[N+]([O-])c1ccc(Cl)c(/C=N/Nc2nc(Cl)c(Cl)cc2Cl)c1 40161329 WYDAVCILNURGLB-YAXRCOADSA-N 380.018 5.049 30 40 GKEB CCCCCCCCNCc1c(OCc2ccc(F)cc2)ccc2ccccc12 102561818 AFUHSXVEPDZJMP-UHFFFAOYSA-N 393.546 7.008 30 40 GKEB Clc1ccc(Sc2ccc(/C=N\c3ccc(Cl)c(Cl)c3)cc2)cc1 409098333 PLUDQTUFHRAPRX-FMCGGJTJSA-N 392.738 7.549 30 40 GKEB Cc1ccccc1Oc1ccc(/N=C/c2cccn2-c2cccc(C(=O)O)c2)cc1 409102566 DHXRFVPZRATNCH-YZSQISJMSA-N 396.446 6.027 30 40 GKEB Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2cccc3ccccc23)cc1 409212209 NYNJQHFLLPPFRM-JVWAILMASA-N 385.894 7.131 30 40 GKEB C=CCN(Cc1cc2cc(C)cc(C)c2nc1Cl)C(=O)Nc1ccccc1C 1378601 KDCLNYJWAUGPRY-UHFFFAOYSA-N 393.918 6.034 30 40 GKEB CCOC(=O)c1c(/N=C/c2cc(Br)ccc2F)sc2c1CCC2 1436711 RVNQGRMUVUDYEM-AWQFTUOYSA-N 396.281 5.066 30 40 GKEB COc1ccc(-c2nc3cc(/N=C/C=C/c4ccccc4[N+](=O)[O-])ccc3o2)cc1 3162537 IQSRPVYNVDMCRC-UNURKUBWSA-N 399.406 5.827 30 40 GKEB CC(C)[C@@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(O)C#Cc1ccccc1 4866072 YXGCKQSCISYXIL-KUXCXQDQSA-N 395.546 5.517 30 40 GKEB CN(c1ccccc1)c1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 5692729 RZNXYIOQMQAQOP-RIYZIHGNSA-N 392.842 5.912 30 40 GKEB Cc1ccc(C(C)C)c(OCCn2cc(/C=N/c3nc[nH]n3)c3ccccc32)c1 6613500 QYPWBLLADDHJQR-ZMOGYAJESA-N 387.487 5.021 30 40 GKEB CCOc1cc(Cl)cc(/C=N/c2cccc(-c3nc4ccccc4[nH]3)c2)c1O 6693802 CYJDJTOHKXONQB-ZMOGYAJESA-N 391.858 5.738 30 40 GKEB O=C(N/C(=N/c1ccccc1)Nc1ccccc1)c1ccc(Cl)c(Cl)c1 6923345 DKLZKUJHCAFYMN-UHFFFAOYSA-N 384.266 5.523 30 40 GKEB Cc1ccccc1/N=C/c1ccc(OCc2ccccc2F)c(Br)c1 8570866 HDQIRGIHRLUKIK-ZMOGYAJESA-N 398.275 6.226 30 40 GKEB CCn1cc(/C=C2\Oc3c(ccc(OCC=C(C)C)c3C)C2=O)c2ccccc21 28182682 KAKMSOCEWQNFNC-UCQKPKSFSA-N 387.479 5.931 30 40 GKEB COc1ccc(NC(=O)COc2ccc(/C=N\c3ccc(Cl)cc3)cc2)cc1 100362475 FUXWTPKILOPRRI-OYKKKHCWSA-N 394.858 5.117 30 40 GKEB CCCCc1c(C)c(C#N)c2[nH]c3ccccc3n2/c1=N\c1ccc(N(C)C)cc1 102799189 SPFRDNDKHUJSEX-PNHLSOANSA-N 397.526 5.242 30 40 GKEB CCOc1ccc(-n2c(C)cc(/C=N/c3cc(C(=O)OC)ccc3C)c2C)cc1 409187799 UKSXMHUYFGNQDT-MFKUBSTISA-N 390.483 5.338 30 40 GKEB Cc1ccc(Cl)cc1/N=C/c1ccccc1OCC(=O)Nc1ccccc1 409218597 VZALMXUJPQFUSF-ZVHZXABRSA-N 378.859 5.417 30 40 GKEB Fc1cc(F)c(Br)c(Oc2c(F)cc(C(F)(F)F)cc2F)c1 1504250180 CCUPJHRURWKZHD-UHFFFAOYSA-N 389.064 5.817 30 40 GKEB O=C1CCCC2=C1[C@H](c1c(F)cccc1Cl)Nc1ccc3ccccc3c12 659170 LTRJUGXFTYVBLO-HSZRJFAPSA-N 377.846 6.306 30 40 GKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@@H]2c1cccc([N+](=O)[O-])c1 1441350 IONJAPBGVQCVFD-NRFANRHFSA-N 399.450 5.344 30 40 GKEB Cc1cc(C)cc(-c2nc3cc(/N=C/c4cccc([N+](=O)[O-])c4O)ccc3o2)c1 3034016 PNYAUOXSMRLVIP-FSJBWODESA-N 387.395 5.476 30 40 GKEB O=C1C[C@@H](c2ccco2)CC2=C1[C@@H](c1ccc(F)cc1)n1c(nc3ccccc31)N2 4386433 XCMUYWXEEBJOJC-NPMXOYFQSA-N 399.425 5.184 30 40 GKEB O=c1oc2ccccc2cc1-c1cnc(N/N=C/c2cccc(Cl)c2)s1 4672104 FUJHHLZTFSOMSH-LSHDLFTRSA-N 381.844 5.016 30 40 GKEB CN(C)c1ccc(/C=N/CC[C@@H](Cc2ccccc2)[C@@H]2CCOC(C)(C)C2)cc1 5377639 WLIRZHQCAMPRQX-VFXQFALTSA-N 392.587 5.626 30 40 GKEB Cc1ccc(Cc2c(C)c(C#N)c3nc4ccccc4n3c2NCCC(C)C)cc1 5454154 RHMWMRYAPAQVBX-UHFFFAOYSA-N 396.538 6.025 30 40 GKEB CCCCCCCOC(=O)C1[C@@H](c2ccccc2)C(C(=O)O)[C@@H]1c1ccccc1 49784562 ZCPGURXHGYKDDY-SIYKVTCMSA-N 394.511 5.398 30 40 GKEB COc1cccc(C(=O)/C(=C/c2c[nH]c3ccccc23)c2nc3ccccc3[nH]2)c1 50647523 VZHBLBGSKFCAGF-ZHZULCJRSA-N 393.446 5.476 30 40 GKEB C=CCn1c(S[C@H](C)Cc2nc3ccccc3s2)nnc1-c1ccco1 79024309 GXAMBYHLUMNSPE-CYBMUJFWSA-N 382.514 5.057 30 40 GKEB CCCCCCCCc1cnc(-c2ccc(OC(=O)CCCCCC)cc2)nc1 100073858 PYMMEHPLFYFSIW-UHFFFAOYSA-N 396.575 6.922 30 40 GKEB CCn1cccc1/C=C1\S/C(=N\C2CCCCC2)N(C2CCCCC2)C1=O 107857573 GZCBTTITEHOJOP-GAADFGEESA-N 385.577 5.446 30 40 GKEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)C#Cc1ccccc1 118914978 XROIWEWUVSAKIJ-KZPPUNKBSA-N 390.567 5.093 30 40 GKEB Cc1oc(/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c(C#N)c1C 408592602 ZREGRDIAKKUZBO-YSURURNPSA-N 386.282 6.233 30 40 GKEB CCOc1ccc(/C=C2\SC(=Nc3cccc(C)c3C)NC2=O)cc1Cl 408776220 VNOACHXKHTWUTE-WQRHYEAKSA-N 386.904 5.247 30 40 GKEB C=CCOc1ccc2ccccc2c1/C=C1/SC(=O)N(c2ccccc2)C1=O 408901214 CCOYOEXRWQWTGY-RCCKNPSSSA-N 387.460 5.646 30 40 GKEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/c2ccc(C(=O)O)c(Cl)c2)o1 408962453 SHDWVVSWPDJMRH-LSHDLFTRSA-N 383.787 5.055 30 40 GKEB CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2ccc(CC)cc2)NC1=O 409107428 POPVWJJZHSKGAY-PDGQHHTCSA-N 386.904 5.193 30 40 GKEB C#CCOc1c(Cl)cc(/C=C2\C(=O)N(CCC)c3ccccc32)cc1Cl 409119587 SWUNVMNUFNVHIM-WJDWOHSUSA-N 386.278 5.303 30 40 GKEB CCOC(=O)CSc1nc(-c2cccs2)cc(-c2cccs2)c1C#N 1085927 RSWBPIZCEFOQQM-UHFFFAOYSA-N 386.523 5.065 30 40 GKEB CCOc1cc(/C=N/c2cc(C)ccc2C)ccc1OCc1cccc(F)c1 6961441 QTPDFPGMDZEMLC-CVKSISIWSA-N 377.459 6.171 30 40 GKEB C(=N/SC(c1ccccc1)(c1ccccc1)c1ccccc1)\c1ccccc1 17142743 OEHDEUIEMOJWIW-SZXQPVLSSA-N 379.528 6.746 30 40 GKEB CCCCCCCCCC1CCC(c2ccc(C(=O)CCN(C)C)cc2)CC1 98044718 AMVVOAHHTZLLKG-UHFFFAOYSA-N 385.636 7.236 30 40 GKEB CCCCCCCCCC[C@@H](C(=O)OCCCC)P(=O)(OCC)OCC 100301960 DPMMIQOIKGZYCD-IBGZPJMESA-N 392.517 6.495 30 40 GKEB CCCCCCCCCCCCCC(=O)OCCOCCSCCCC 100931389 URVAYSYXMXMUNX-UHFFFAOYSA-N 388.658 6.781 30 40 GKEB O/N=C1/CCCCCCCCCC[C@H]1N1CCN(c2ccccc2F)CC1 100964707 VWJRSVMGHLTASD-JZBNPYPUSA-N 375.532 5.061 30 40 GKEB COc1ccc(-c2csc(N/N=C3/C[C@H]4CC[C@@]3(C)C4(C)C)n2)cc1OC 102947407 ZRHNAWSYXPVSQK-VJFJWEFOSA-N 385.533 5.441 30 40 GKEB CCCCCCCCCCCCCCCCCC/C=C/C(F)(F)C(F)(F)F 103531050 OYBNYEZZZGMNPJ-FMQUCBEESA-N 398.544 9.392 30 40 GKEB CCCCCCCOc1ccc(/C=C2\N=C(c3ccccc3Cl)OC2=O)cc1 105043221 GQUJCFNBPKYHJR-PGMHBOJBSA-N 397.902 6.034 30 40 GKEB CC[C@H](C)Oc1ccc(/C=N/OCc2ccccc2C#N)cc1Br 408595707 MNUZZXRSNOTMPZ-OFJBCHTGSA-N 387.277 5.049 30 40 GKEB O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C/c1ccc(Cl)s1 408964056 FNMNPDXTKOUKBY-UXBLZVDNSA-N 389.716 5.600 30 40 GKEB CCc1ccccc1/N=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(OC)c1 408968416 YSHLXXHNTKGZOV-MFKUBSTISA-N 389.451 5.285 30 40 GKEB C/C(=N\N=c1/sc(C)c(-c2ccccc2)n1Cc1ccco1)c1ccccc1 1466241 MXMVABFBIVQHJH-WWSMBHJHSA-N 387.508 5.491 30 40 GKEB Cc1ccc(-c2c(C#N)c(SC/C=C/c3ccccc3)nc3c2CCCC3)cc1 2185038 YFQFJPHPSZJAIT-JXMROGBWSA-N 396.559 6.613 30 40 GKEB CCCCSc1nc(-c2ccc(C)cc2)cc(-c2ccc(Cl)cc2)c1C#N 3079463 SKHQOWNRTUXGEX-UHFFFAOYSA-N 392.955 7.141 30 40 GKEB C[C@@H](Oc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1)c1ccccc1 4083338 FKUJUFQESFXFAY-BXDFRRGMSA-N 375.497 5.147 30 40 GKEB C=CCN1C(=O)/C(=C/c2c(-c3ccccc3)[nH]c3ccccc23)SC1=S 4713693 CYPRLVSURUZVKO-AQTBWJFISA-N 376.506 5.222 30 40 GKEB CCc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(Cl)cc2Cl)S1 5551051 QHVWUVNYLUIXIX-SXGWCWSVSA-N 377.296 5.447 30 40 GKEB CN1C/C(=C/c2cccc3ccccc23)C(=O)/C(=C/c2cccc3ccccc23)C1 12603372 OEDJFAJIJMSAON-DRPBVWSQSA-N 389.498 5.975 30 40 GKEB CC/N=C1\C=C/C(=C(/c2ccc(NCC)c(C)c2)c2ccccc2Cl)C=C1C 17315505 TVKGDNHBYVWSOH-TWCYPEEPSA-N 390.958 6.859 30 40 GKEB CC(C)c1ccc(/C=N/CCCCCC/N=C/c2ccc(C(C)C)cc2)cc1 18168436 SAZMIRRSBLZPLF-MKYUKRCKSA-N 376.588 7.032 30 40 GKEB CCCCCCCCCC(=O)O[C@@H](C)c1ccc(OCc2ccccc2)cc1 100040213 TYNKIFVKBNHITE-NRFANRHFSA-N 382.544 7.011 30 40 GKEB C=CCOc1cccc(NC(=O)c2cc(Cl)ccc2OCc2ccccc2)c1 219766669 NVIJIZKXLDBRHV-UHFFFAOYSA-N 393.870 5.736 30 40 GKEB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C/C(=O)c2ccc(C)cc2)c1C 408692378 LETANHBDZYAJRF-FMIVXFBMSA-N 390.439 5.215 30 40 GKEB CCn1c(C)c(/C=N\Nc2c(F)c(F)c(F)c(F)c2F)c2cccc(C)c21 409035876 UOABYFGDXBPAGL-JAHAZDFLSA-N 381.348 5.420 30 40 GKEB O=[N+]([O-])c1ccc(-c2csc(N/N=C/c3ccccc3C(F)(F)F)n2)cc1 409052541 URHPIPAQPXNIOE-ZVBGSRNCSA-N 392.362 5.183 30 40 GKEB Cc1ccc(-c2c(C#N)c(SCC(=O)c3ccccc3)nc3c2CCCC3)o1 841845 UASNJVUGFHWBKK-UHFFFAOYSA-N 388.492 5.376 30 40 GKEB CCOc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc([N+](=O)[O-])c1O 6959001 MVGBXLLOCOKEMA-HYARGMPZSA-N 378.384 5.242 30 40 GKEB C#CCOc1c(Br)cc(CNc2ccccc2Cl)cc1OCC 6959252 LDMQQFKUBVIFNF-UHFFFAOYSA-N 394.696 5.125 30 40 GKEB Cc1cccc(OCc2ccc(-c3nc(C#N)c(N4C[C@H](C)C[C@@H](C)C4)o3)o2)c1 12418983 VRXMTDGHWUMJFA-IAGOWNOFSA-N 391.471 5.176 30 40 GKEB O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(-c2ccc(Cl)cc2)o1 59105746 XQDLGNUUWYDSRI-WOJGMQOQSA-N 398.846 5.631 30 40 GKEB CCCCCCCCCCNC(=S)Nc1ccc(C(F)(F)F)cc1Cl 59662569 KDJMVAROCPIRLJ-UHFFFAOYSA-N 394.934 6.786 30 40 GKEB COc1ccc(-c2csc(N/N=C3\C[C@@H]4CC[C@]3(C)C4(C)C)n2)cc1OC 100929805 ZRHNAWSYXPVSQK-UGXKTRSLSA-N 385.533 5.441 30 40 GKEB Clc1ccc(Sc2ccc(/C=N/Nc3ccc4ccccc4n3)o2)cc1 107580748 RBSKSLBQAOAAMO-LPYMAVHISA-N 379.872 6.078 30 40 GKEB C=CCN1C(=O)S/C(=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)C1=O 223565030 AJADIHRBHGYOLM-VUFYJBQKSA-N 384.545 5.410 30 40 GKEB O=C1ON=C(c2ccccc2)/C1=C\c1cccc(OCc2cccc(Cl)c2)c1 409082304 SECKMIKURJQFMM-KGENOOAVSA-N 389.838 5.264 30 40 GKEB Cc1ccc(/N=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)cc1C 409203361 XLJKJXAQRMYKKN-LQKURTRISA-N 399.921 7.440 30 40 GKEB COc1cccc(/N=C/c2c(O)c(C(=O)Nc3ccccc3)cc3ccccc23)c1 721859 JTLGUPZTFNVZHJ-WGOQTCKBSA-N 396.446 5.557 30 40 GKEB C[C@@H]1CC2=CCCC(C)(C)[C@@H]2C[C@@H]1/C=N/Nc1nnc2c(n1)[nH]c1ccccc12 725725 ZJMNWWOSWJJSTK-UTUNKPCOSA-N 388.519 5.313 30 40 GKEB biogenic N#Cc1c(-c2cccs2)cc(C2CC2)nc1SCC(=O)c1ccccc1 3164268 BSDWXRPTSNIAMF-UHFFFAOYSA-N 376.506 5.534 30 40 GKEB C=CCn1c(SCc2ccc(F)cc2)nnc1-c1ccc(C(C)(C)C)cc1 5500685 CDGOKFDKTLMGPO-UHFFFAOYSA-N 381.520 5.860 30 40 GKEB Cc1ccccc1Cn1cc(/C=N/NCc2ccccc2Cl)c2ccccc21 8811567 KKAWOEQPJAQTQU-JFLMPSFJSA-N 387.914 5.775 30 40 GKEB Cc1cccc(OCc2ccc(-c3nc(C#N)c(N[C@@H](C)c4ccccc4)o3)o2)c1 39404133 VKJBCPBXQOLCIY-KRWDZBQOSA-N 399.450 5.867 30 40 GKEB COc1ccc(/C=C2\S/C(=N/c3ccccc3)N(C3CCCC3)C2=O)cc1 100353101 ZUKJWRRRUZKGSL-PKEPYMRNSA-N 378.497 5.242 30 40 GKEB COc1ccc(/N=C/c2cc3c(cc2Cl)N(C)C(C)(C)C[C@H]3C)cc1Cl 198081832 KLQGJLZHNCFMIB-LFWZTCNZSA-N 391.342 6.475 30 40 GKEB Cc1nn(C)cc1/C=C1\C[C@@H]2[C@H]3CC[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]2(C)C1=O 253508449 KVDDTNQRMJYZPQ-UUCWIQCOSA-N 380.576 5.724 30 40 GKEB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(O)C#Cc1ccccc1 253617432 LZYLYVQWNIUJNH-XNEGRAJQSA-N 392.583 5.173 30 40 GKEB S=c1[nH]nc(-c2ccccc2)n1N=Cc1ccc(OCc2ccccc2)cc1 254758113 CEGHOOAUAWVFGV-UHFFFAOYSA-N 386.480 5.069 30 40 GKEB CCOc1ccccc1/C=C1/S/C(=N\c2ccc(C)cc2)N([C@@H](C)CC)C1=O 408907917 CLOLGTNBGJSJCZ-OTKAWYOPSA-N 394.540 5.796 30 40 GKEB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N\c2ccc(C)c([N+](=O)[O-])c2)c1C 408912520 HZZHJAFIZFWSAT-FMCGGJTJSA-N 391.427 5.068 30 40 GKEB COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1 408939429 MLZDFEZCSWUXSD-PCVHLMMSSA-N 380.491 6.272 30 40 GKEB COc1ccc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)c(OC)c1 409375829 PRZRULFQQPYYRQ-ZMOGYAJESA-N 388.379 5.439 30 40 GKEB C=CCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)SC1=S 2053217 YAUYCPRAZZEAFT-DHDCSXOGSA-N 396.320 5.641 30 40 GKEB C=CCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccccc2)C2=C1CC(C)(C)CC2=O 2273429 GBDSBWHTSNOSOV-UHFFFAOYSA-N 389.539 5.558 30 40 GKEB COC(=O)c1ccc(/C=N\c2ccc(O)c(-c3nc4ccc(C)cc4o3)c2)cc1 3113215 JNXSRPDGSSWNDD-CFRMEGHHSA-N 386.407 5.046 30 40 GKEB biogenic COc1ccc(/C=N/CC[C@H](c2ccccc2)[C@H]2CCOC(C)(C)C2)cc1OC 4027132 NATKEWUCHCEYAD-GGIRWFOVSA-N 395.543 5.502 30 40 GKEB biogenic N#CCCn1c2ccc(Br)cc2c2cc(Br)ccc21 4718351 BVGRMVJKBLBHQL-UHFFFAOYSA-N 378.067 5.233 30 40 GKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1cc2ccccc2nc1Cl 5781370 MVWVGOZEZCAFDI-LSFURLLWSA-N 394.740 5.261 30 40 GKEB Cc1ccc2oc(-c3ccc(C)c(/N=C\c4cccc([N+](=O)[O-])c4O)c3)nc2c1 6216598 JIEREVHGPWPPAW-FMCGGJTJSA-N 387.395 5.476 30 40 GKEB O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1cccs1)n1c(nc3ccccc31)N2 18266711 SRGMCGJVUINXLM-WAIKUNEKSA-N 397.503 5.514 30 40 GKEB Fc1ccc(COc2ccc(/C=N\c3ccc(F)cc3F)cc2Cl)cc1 100415573 QSFMSAQEICAYQT-GATIEOLUSA-N 375.777 6.087 30 40 GKEB CC(C)c1ccc(/C=N\CCCCCC/N=C/c2ccc(C(C)C)cc2)cc1 104063574 SAZMIRRSBLZPLF-RIRMOVKSSA-N 376.588 7.032 30 40 GKEB C=C(C)[C@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@H]3CC(=O)CC[C@]34C)[C@H]12 118915834 JMNNBGGLFDJNBE-GGDGGGGRSA-N 396.659 7.597 30 40 GKEB Cc1ccc(Oc2ccc(/N=C/c3ccc4c(c3)[C@H](C)CC(C)(C)N4C)cc2)cc1 198074565 NNGVKCOVSFVESU-CLCAUBNZSA-N 398.550 7.260 30 40 GKEB Cc1sc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)c(C#N)c1C 408628640 VTYLQEPVQKUXTL-UHFFFAOYSA-N 399.928 5.170 30 40 GKEB Cc1ccc(/C=N/Nc2nc(-c3ccc(C)c(C)c3)c(-c3ccccc3)s2)cc1 408976133 PMDWHBRYXXFGIA-WGOQTCKBSA-N 397.547 6.848 30 40 GKEB CC(C)COc1ccc(/C=N\c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 409080279 MQZXQDZNQRLDLK-SJJYNHATSA-N 394.584 6.556 30 40 GKEB Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2ccc(C(=O)O)cc2)cc1 409214174 RMNGMIBOYPJEBG-ZMOGYAJESA-N 379.843 5.676 30 40 GKEB COc1cc(/C=N\c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc(OC)c1 409215914 CCKQPXMORSXBHU-IZVPMIMASA-N 382.529 5.539 30 40 GKEB O=C1/C(=C/c2ccco2)Oc2cc(OCc3ccc(Br)cc3)ccc21 2421501 KBLCNZFYPSLNOK-ODLFYWEKSA-N 397.224 5.237 30 40 GKEB N#Cc1c(-c2ccco2)cc(-c2cccs2)nc1OCC(=O)c1cccs1 2506061 OICNUJRUTWVGLJ-UHFFFAOYSA-N 392.461 5.265 30 40 GKEB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/c1ccc2c(c1)oc1ccccc12 3664323 DTFYVQAKQQVUND-AFUMVMLFSA-N 385.854 6.484 30 40 GKEB N#Cc1c(-c2ccc(Cl)cc2)cc(-c2cccc(Br)c2)nc1O 4024969 XROCBPZZJMUWHD-UHFFFAOYSA-N 385.648 5.409 30 40 GKEB N#CCSc1nc(C23CC4CC(CC(C4)C2)C3)cc(C(F)(F)F)c1C#N 4620215 JGBUCCYXKPIQSV-UHFFFAOYSA-N 377.435 5.056 30 40 GKEB Cc1ccc(C)c(NC(=O)CSc2nc3c(C)cc(C)cc3cc2C#N)c1 4849174 VSUFXQASMNPWKH-UHFFFAOYSA-N 375.497 5.071 30 40 GKEB COc1ccc(/C=C2\S/C(=N/c3ccccc3)N(c3ccccc3)C2=O)cc1 5320658 HLTRECGCSIBKCT-RDHMHZQQSA-N 386.476 5.504 30 40 GKEB Clc1ccc(CN/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1 10118786 MIWHLIJLVNAKNQ-FOKLQQMPSA-N 379.674 6.031 30 40 GKEB CCCCCCCC/C=C\CCCCCCCC(=O)OCCCCCC(C)C 80274253 SAUIGQBKPDQYHL-QXMHVHEDSA-N 394.684 8.784 30 40 GKEB CCCCCCCCCCCCCCCCCC(=O)NC[n+]1ccccc1 95891001 NVUBFYYOVIBBBL-UHFFFAOYSA-O 375.621 6.309 30 40 GKEB N#Cc1nc([C@@H]2C[C@@H]2c2ccccc2)oc1N1CCC(Cc2ccccc2)CC1 96346649 ZTAYBSVDLKTBQJ-FGZHOGPDSA-N 383.495 5.276 30 40 GKEB CC(C)(C)C1=C/C(=C2\C=C(C(C)(C)C)C(=O)c3ccccc32)c2ccccc2C1=O 100050349 YTCVAKHNDNQNSA-DQRAZIAOSA-N 396.530 6.935 30 40 GKEB CCCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)c(C#N)c1 225759129 KOPABHGYTVALOV-UHFFFAOYSA-N 390.527 5.886 30 40 GKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(C(C)(C)C)cc2)C(=O)N1CC 408909167 GJYCKWTZEIIRDT-DXWKDWEQSA-N 392.568 6.170 30 40 GKEB Cc1cccc(NC(=O)COc2ccc(/C=N/c3ccccc3C)cc2Cl)c1 409211945 OUAJBJWQBGCMQM-AFUMVMLFSA-N 392.886 5.725 30 40 GKEB COc1cc(/C=N/c2ccccc2SC)ccc1OCc1ccc(C(=O)O)o1 409386247 RQWGMAPALRNFDY-WSDLNYQXSA-N 397.452 5.038 30 40 GKEB Cc1cccc(C)c1NC(=O)[C@@H](C#N)Cc1cc2c(C)ccc(C)c2nc1Cl 883116 AMIYONDZTRWRBL-GOSISDBHSA-N 391.902 5.443 30 40 GKEB COC(=O)c1ccc(/C=N/c2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)cc1 1435014 UDMMGWXVRBPAJV-AFUMVMLFSA-N 384.435 5.649 30 40 GKEB CC(C)(C)c1ccc(Cn2c(/N=C/c3ccc(O)cc3)nc3ccccc32)cc1 2054418 ZALDKJKVJSSEFL-WGOQTCKBSA-N 383.495 5.838 30 40 GKEB O=c1cc(C(F)(F)C(F)(F)C(F)(F)C(F)F)oc2ccc(Cl)cc12 2248953 JYUHJQGQPOLTRG-UHFFFAOYSA-N 380.618 5.074 30 40 GKEB N#Cc1ccc(CSc2ncnc3scc(-c4ccc(Cl)cc4)c23)cc1 2368520 QNSPIBRWGGIIMY-UHFFFAOYSA-N 393.924 6.176 30 40 GKEB ON=C(Nc1ccc(Cl)cc1Cl)c1cnc(Cl)cc1C(F)(F)F 2576658 HVFJAZWCDCCWEL-UHFFFAOYSA-N 384.572 5.309 30 40 GKEB C=CCNC(=O)c1cc(-c2ccc(CC)cc2)nc2ccc(Br)cc12 2773912 UADCYSAIXLRIQS-UHFFFAOYSA-N 395.300 5.143 30 40 GKEB O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc3nc(-c4ccc(Cl)cc4)oc3c2)c1 3102938 FEIXMGVYPKCWLH-SSDVNMTOSA-N 393.786 5.513 30 40 GKEB CCC[C@H](C)c1ccc(O)c(/N=C/c2cc(Br)cc(Cl)c2O)c1 3114646 NUGBPKFJXHUKHK-JYQBEENSSA-N 396.712 6.168 30 40 GKEB Clc1ccc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)c(Cl)c1 4544170 NEURAPAARFYXMI-MFKUBSTISA-N 392.289 6.597 30 40 GKEB CCc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccc(C#N)cc4)o3)S2)cc1 6555755 GPBQPHUUONSPNX-FYJGNVAPSA-N 399.475 5.272 30 40 GKEB CCOc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(Cl)cc2Cl)S1 6870639 IFYPLERNANXBGL-SXGWCWSVSA-N 393.295 5.284 30 40 GKEB COc1cc(/C=C/C(=O)c2cc(F)c(Cl)cc2Cl)cc(OC)c1OC 8322564 FUPRFHKOAGSTLA-SNAWJCMRSA-N 385.218 5.054 30 40 GKEB Cc1ccccc1/N=C/c1cc(Cl)ccc1OS(=O)(=O)c1ccccc1 8570859 ADJVVRBZWWDOMF-HYARGMPZSA-N 385.872 5.167 30 40 GKEB CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccccc1 9264266 FKJISGVXKYVBPV-BVZFJXPGSA-N 398.462 5.200 30 40 GKEB O=C(/C(=N\Nc1ccccc1)Sc1cccc2cccnc12)c1ccccc1 16451229 KCJYOOXZECEDHV-WNAAXNPUSA-N 383.476 5.635 30 40 GKEB CC1(C)CC2=NC3=C(C(=O)c4ccccc43)[C@H](c3ccc(Cl)cc3)C2=C(O)C1 18067291 IIBJLMRIIFWZGD-LJQANCHMSA-N 389.882 6.118 30 40 GKEB C=CCc1ccccc1OC(c1ccccc1)(c1ccccc1)c1ccccc1 18194624 LOCYNVGSSKNVNR-UHFFFAOYSA-N 376.499 6.786 30 40 GKEB CCCCCCCCCCC[C@@H](O)CC(=O)[C@H](CCCCCC)C(=O)OC 97978736 LCYXCWLJSOHFFX-RTWAWAEBSA-N 384.601 5.987 30 40 GKEB in-vitro CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103525230 AIJWFGORIRMPIJ-UHFFFAOYSA-N 398.109 5.771 30 40 GKEB FC(F)(F)CCCOC(OCCCC(F)(F)F)OCCCC(F)(F)F 103539450 IKZLCNPBVFWSJK-UHFFFAOYSA-N 394.274 5.347 30 40 GKEB C=CCN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc2ccccc2c1 225058172 FRCZTDLDMARMAN-UHFFFAOYSA-N 375.852 5.014 30 40 GKEB C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1C/C(=C\c1ccccc1F)C2=O 253497843 OIEOFEFLLYWLLM-KERXOGEUSA-N 380.547 6.821 30 40 GKEB CCCCCCCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1CC 408560815 PHFFROZTDZPCNO-UHFFFAOYSA-N 388.581 5.159 30 40 GKEB C(=N/c1cccc2ccccc12)\c1ccc(Sc2nnnn2-c2ccccc2)o1 1433968 RYLUOBRVRWSCHD-HZHRSRAPSA-N 397.463 5.310 30 40 GKEB Clc1ccc(/C=C/C=N/c2ccc3oc(-c4ccccc4)nc3c2)c(Cl)c1 2756765 YPIJZUIYLBKYHI-CGKKIJBTSA-N 393.273 7.217 30 40 GKEB Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)Nc3ccccc3C#N)cc12 3306210 UFBPJKWASXTAMX-UHFFFAOYSA-N 392.871 5.173 30 40 GKEB Cc1nc2c(c3[nH]c4ccccc4c13)/C(=N/N(C)c1ccccc1)CC(C)(C)C2 4729432 XCNRTRKIBSNHBT-SGWCAAJKSA-N 382.511 5.837 30 40 GKEB biogenic Cc1ccc(N/N=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1 4867324 MPXJGDRMJXXAIZ-NHFJDJAPSA-N 377.491 6.911 30 40 GKEB C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccs2)cc1 4879682 VKZRSHLBGQBFCS-NZQKXSOJSA-N 388.492 5.555 30 40 GKEB N#CCSc1nc(-c2ccc(Cl)cc2)cc(-c2ccccc2Cl)c1C#N 5009327 JJDPNTIGSOJAGB-UHFFFAOYSA-N 396.302 6.210 30 40 GKEB Cc1cccc(/C=C2\Oc3c(ccc(O)c3CN(CC(C)C)CC(C)C)C2=O)c1 8991258 GQVKCXQMGXXIBL-FMCGGJTJSA-N 393.527 5.431 30 40 GKEB OC1=Nc2ccccc2/C1=N/c1scc(-c2ccccc2)[n+]1-c1ccccc1 17207526 ZHGMTULIUZFCEP-UHFFFAOYSA-O 382.468 5.414 30 40 GKEB Cc1ccc(C(=O)/N=C2\c3ccccc3CN2c2cc(Cl)cc(Cl)c2)cc1 102934864 QFEHFPDAGXWTPX-NJNXFGOHSA-N 395.289 5.909 30 40 GKEB CCC(C)(C)[C@@H]1CCC(=O)/C(=C/Nc2ccc(N=Nc3ccccc3)cc2)C1 408563544 NAPWWOWRACQRCG-GJAOAPHZSA-N 375.516 7.203 30 40 GKEB COc1c(Cl)cc(Cl)cc1C(=O)Nc1sc2c(c1C#N)CCCC2 408629318 WVZNONWTTGXQOM-UHFFFAOYSA-N 381.284 5.066 30 40 GKEB C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccncc2)S/C1=N\c1ccccc1 408850495 OCTCQWCMLNVXAR-ZUPRSBLPSA-N 377.513 5.264 30 40 GKEB Cc1cccc(-n2c(C)cc(/C=N/c3ccc(N4CCOCC4)cc3)c2C)c1C 408932637 YMUFTTNLDXELOC-YZSQISJMSA-N 387.527 5.298 30 40 GKEB Clc1ccc(/N=C\c2cccn2-c2cccc(Br)c2)c(Cl)c1 409009420 FNRCQNGQLCLSFV-NHDPSOOVSA-N 394.099 6.297 30 40 GKEB N#Cc1c(/N=C/c2cccc3ccccc23)oc(-c2ccco2)c1-c1ccco1 409375352 JKRAYXRBXREABC-CVKSISIWSA-N 378.387 6.575 30 40 GKEB CCCCCCCCCCCCCCCCCCCC/C=C\C(F)(F)F 575330573 XWZRKIROWQYHDQ-DQRAZIAOSA-N 376.591 9.537 30 40 GKEB O=C(Oc1ccc2oc3c(c2c1/C=N/c1ccccc1)CCCC3)c1ccccc1 2290151 GQPKQROCJNUNCO-WPWMEQJKSA-N 395.458 6.281 30 40 GKEB Cc1cc(O)c(/C=N/c2cccc(-c3nc4ccccc4o3)c2)c(C)c1Cl 3082935 ZOGDNOICSFJTKY-WYMPLXKRSA-N 376.843 6.221 30 40 GKEB O=C1/C(=C/Nc2ccccc2)S/C(=N\c2ccccc2)N1C1CCCCC1 4124706 GHMTYVFBGKDIGJ-QSLYDIHDSA-N 377.513 5.536 30 40 GKEB Cc1cccc(C[C@@H]2S/C(=N/N=C/c3ccccc3)N(c3ccccc3)C2=O)c1 4712939 IPDOZXNMKSRPHL-VDSIAQTOSA-N 399.519 5.076 30 40 GKEB COc1ccc(CCNc2oc(-c3cccc4ccccc34)nc2C#N)cc1OC 5180250 UYEBUEQAMLRRAA-UHFFFAOYSA-N 399.450 5.038 30 40 GKEB O=C1N/C(=N\c2ccc(Cl)cc2C(F)(F)F)S/C1=C\c1cccs1 5478384 XAMZRKKJCUBBCM-GHXNOFRVSA-N 388.823 5.312 30 40 GKEB CCc1ccc(/N=C2\NC(=O)[C@H](Cc3cc(Cl)ccc3Cl)S2)cc1 5809633 FFPNZQMJEHZIDU-INIZCTEOSA-N 379.312 5.018 30 40 GKEB CCOc1cc(Br)cc(/C=N/c2cc(Cl)ccc2Cl)c1O 6207179 IYZJTAGECDHNMK-UFWORHAWSA-N 389.076 5.611 30 40 GKEB Cc1ccc(-c2cs/c(=N\N=C\c3ccccc3OCc3ccccc3)[nH]2)cc1 11991715 TZFXUFQAPNVDCR-MFKUBSTISA-N 399.519 5.565 30 40 GKEB CCCCCCCCCCOc1ccc(NC(=O)Nc2ccc(F)cc2)cc1 102454715 JFBFXQJBJBLWAE-UHFFFAOYSA-N 386.511 6.989 30 40 GKEB CCCCc1c(C)c(C#N)c2[nH]c3ccccc3n2/c1=N\c1ccc(Cl)cc1 102594466 JOYOCTZHTLTCBO-ROMGYVFFSA-N 388.902 5.829 30 40 GKEB CCCCCCCCCCC/C(C)=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 104183175 ZPNJCPMKFBBQHB-CAPFRKAQSA-N 378.473 6.212 30 40 GKEB CCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3c(C)cccc3CC)c2C)cc1 137516615 NXDHHLYFFDHXMU-WGOQTCKBSA-N 388.511 5.892 30 40 GKEB Cc1ccc(/N=C2\S/C(=C/c3cccc4ccccc34)C(=O)N2C(C)C)cc1 408912041 KMPFSLLRYCFUCL-LBMUFILHSA-N 386.520 6.161 30 40 GKEB COc1cc2ccccc2cc1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 4690747 IHSWNSKDCHNRRF-CYBMUJFWSA-N 376.481 5.159 30 40 GKEB N#C[C@]12CCCC[C@H]1C(c1ccccc1)[C@H]1CCCC[C@]1(C#N)N2c1ccccc1 4729006 KTRYHAULWNUHQF-OLUVAWKJSA-N 395.550 6.196 30 40 GKEB O=C1/C(=C/c2cc3ccccc3o2)Oc2c1ccc(O)c2CN1CCCCCC1 8991919 UORZDSFYBKHZSX-HMAPJEAMSA-N 389.451 5.131 30 40 GKEB Cc1nc(-c2ccccc2)sc1C(=O)Nc1cccc(C#Cc2ccccn2)c1 12536860 DPKRUILYDBQRDK-UHFFFAOYSA-N 395.487 5.166 30 40 GKEB Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)S2)cc1 18272325 JNSGUJLZQTZVGY-UNOMPAQXSA-N 394.883 5.800 30 40 GKEB CC(=O)c1cc(C#N)c(SCc2coc(-c3ccc(C)cc3C)n2)nc1C 23078657 SGDOGMLNSOOZAA-UHFFFAOYSA-N 377.469 5.028 30 40 GKEB C=CCOc1ccc(CNc2ccc(Cl)cc2Cl)cc1Br 408609935 PNUIDRBCKVLHPA-UHFFFAOYSA-N 387.104 5.933 30 40 GKEB C#CCN1C(=O)S/C(=C/c2ccccc2OCc2ccc3ccccc3c2)C1=O 408917676 ZRWPIXBLWDIMJK-PXLXIMEGSA-N 399.471 5.088 30 40 GKEB CCCn1c(C)c(/C=N/CCNc2cccc3ccccc23)c2cc(C)ccc21 409048355 OBAKLXFXEOXMHS-OVVQPSECSA-N 383.539 6.352 30 40 GKEB Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/c3ccccc3C)cc2Cl)cc1 409211768 ODNGYGBJDWLGNQ-OEAKJJBVSA-N 399.899 5.475 30 40 GKEB O=C(c1ccc(Cl)cc1F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575243153 OISKNFFRTRQYSR-UHFFFAOYSA-N 376.577 5.130 30 40 GKEB C=CCSc1nc(Oc2cccc(C)c2)c2sc3nc(C)cc(C)c3c2n1 4053160 NIMGMJMLRVWDRG-UHFFFAOYSA-N 393.537 6.235 30 40 GKEB Cc1ccc(Nc2c3c(c(C#N)c4nc5ccccc5n24)CCCC3)cc1Cl 4674903 KZJRFTNAKSMYBF-UHFFFAOYSA-N 386.886 5.943 30 40 GKEB COc1cccc(/C=N/c2nc(-c3ccccc3)c(-c3ccccc3)s2)c1O 4699536 ZDUGSCABSPGWFG-BUVRLJJBSA-N 386.476 5.942 30 40 GKEB Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)Sc1nc(C)c(C)c(C)c1C#N 7059729 LRMUJHWAFBVVGJ-QGZVFWFLSA-N 381.545 5.430 30 40 GKEB C[C@H](C#N)CSc1nnc(-c2ccc(Cl)cc2Cl)n1C1CCCCC1 7202057 RAQZIWOOUIVYCP-GFCCVEGCSA-N 395.359 6.009 30 40 GKEB CCc1ccc(/N=C/c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)cc1 8084711 VDYIBJUKMKEIMY-AFUMVMLFSA-N 384.306 6.885 30 40 GKEB O/C(Cc1c(Cl)cccc1Cl)=N\c1nc(SCc2ccccc2)n[nH]1 12974508 UQOZGBKSTQIQLL-UHFFFAOYSA-N 393.299 5.235 30 40 GKEB O=[N+]([O-])c1ccc(Cl)cc1/C=N/Nc1c2ccccc2nc2ccccc12 13284006 SRSKCFIPUCWZFU-WSDLNYQXSA-N 376.803 5.396 30 40 GKEB CCOC(=O)c1ccc(/N=C/c2ccccc2Oc2ccc(Cl)cc2)cc1 100216166 ZMRHXCUXGNWXIW-BUVRLJJBSA-N 379.843 6.060 30 40 GKEB CC(=O)Nc1ccc(/N=C/c2cc3c(cc2Cl)N(C)C(C)(C)C[C@H]3C)cc1 198085461 VWVSBZSMLIQVQJ-FIKYGGOLSA-N 383.923 5.771 30 40 GKEB C=CCOC(=O)c1cc(Cl)c(OCc2ccccc2C)c(Br)c1 226340424 PXIWFOSMCNNYQC-UHFFFAOYSA-N 395.680 5.333 30 40 GKEB C=C1[C@@H]2C[C@@H]3[C@@H](c4ccc(OC)c(CN5CCCCC5)c4)OCC[C@@]3(C2)[C@@H]1C 257271076 MWSGCEXXGIAODY-JAMNZMSNSA-N 381.560 5.361 30 40 GKEB Cc1c(/N=C/c2ccc(Sc3ccc(Cl)cc3)s2)cccc1C(=O)O 409022780 SNEIGLSHDNYZOD-SRZZPIQSSA-N 387.913 6.310 30 40 GKEB COC(=O)c1ccc(/N=C\c2cc([N+](=O)[O-])ccc2Sc2ccccc2)cc1 409109468 FOIIPHKDINCJAY-HMAPJEAMSA-N 392.436 5.283 30 40 GKEB C=C(C)[C@H]1C[C@@H](c2ccc(Cl)cc2)[C@H](CC)O[C@@H]1c1ccc(C(=O)O)cc1 618016782 DZVOSXJYTOKEBI-CLAROIROSA-N 384.903 6.254 30 40 GKEB CCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1Cl 1443407 HIWVCCKGKBMCSA-QFIPXVFZSA-N 396.918 5.961 30 40 GKEB Cc1ccc(/N=C/c2c(Nc3ccc(C)cc3)nc3ccc(C)cn3c2=O)cc1 2289175 ZMNRZQJIWHJKKD-AFUMVMLFSA-N 382.467 5.114 30 40 GKEB COc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1OCc1cccc(F)c1 8371779 VFMGOPCJCHPHBD-DHRITJCHSA-N 383.850 6.126 30 40 GKEB Clc1ccccc1CN/N=C/c1ccccc1OCc1ccccc1Cl 8811281 RLKSLPQCOHWYFD-AFUMVMLFSA-N 385.294 5.696 30 40 GKEB Cc1ccsc1/C=C1\Oc2c(ccc(O)c2CN(CC(C)C)CC(C)C)C1=O 8990847 XYOKXWHJEAVYKT-JMIUGGIZSA-N 399.556 5.492 30 40 GKEB Oc1ccc(Br)cc1/C=N\N=C1c2ccccc2-c2ccccc21 13739106 YUAUIPHIWKOMRY-UUYOSTAYSA-N 377.241 5.007 30 40 GKEB CCN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OC 21722451 HZYHHNHWMRSWLX-QHCPKHFHSA-N 376.500 5.332 30 40 GKEB CCCCCCCCOc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1 136934413 DSJUXGJIWLLFOQ-UHFFFAOYSA-N 394.342 6.985 30 40 GKEB COc1ccc(/N=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@@H]3C)cc1Cl 223600714 QBHDXHVEVOTQIF-HSOLMKNUSA-N 398.978 6.908 30 40 GKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(OC)cc2C)C(=O)N1CC 408914470 NZHYFNSYZLZEIH-QNQNADBQSA-N 380.513 5.190 30 40 GKEB Cc1cc(/C=N\c2ccc(C(C)(C)C)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1 408968565 XIBOQDOFMDEICY-VEILYXNESA-N 386.583 7.440 30 40 GKEB COc1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)s2)cc1Cl 409017652 GKDPYDCBAHCEKT-SRZZPIQSSA-N 394.348 6.965 30 40 GKEB COc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCc1ccccc1F 409213118 OPEYGJIMVWUCIQ-DHRITJCHSA-N 383.850 6.126 30 40 GKEB N#Cc1c(NC(=O)c2ccc(Cl)cc2Cl)sc2c1CCCCCC2 2085490 DDDCJRLXQVIHRA-UHFFFAOYSA-N 379.312 5.838 30 40 GKEB Cc1ccc(-c2c(C#N)c(SCC(=O)OC(C)(C)C)nc3c2CCCC3)cc1 2479568 LXDSQDKGAXQJOL-UHFFFAOYSA-N 394.540 5.241 30 40 GKEB C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc(SC(F)F)cc2)c1 3166520 XHVHCNWIYIEKNM-UHFFFAOYSA-N 376.472 6.091 30 40 GKEB O=C1/C(=C/c2ccc(OCc3ccccc3Cl)cc2)Sc2ccccc21 3666973 WPRPOAYTWGIHIJ-BKUYFWCQSA-N 378.880 6.249 30 40 GKEB C/C(=N\Nc1ccc(Br)cc1)c1ccc2c(c1)Cc1ccccc1-2 4615030 FNSLDWSQRWZXHR-OEAKJJBVSA-N 377.285 5.856 30 40 GKEB C=CCN1C(=O)c2ccccc2[C@@H]1c1c(-c2cccc(OC)c2)[nH]c2ccccc12 4739560 FTSHXRVYOXDJDD-RUZDIDTESA-N 394.474 5.575 30 40 GKEB CCOc1ncccc1C(=O)N1/C(=N/c2ccccc2)SCc2ccccc21 6862387 UPKZKSIYSGNJMO-GYHWCHFESA-N 389.480 5.062 30 40 GKEB COc1ccc(C(=O)/C=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc1 7939571 MZRMTHBAQISVAA-VGOFMYFVSA-N 378.855 5.824 30 40 GKEB Cc1ccc(NC(=O)COc2ccccc2/C=N/c2ccccc2C)cc1Cl 8570922 BEIOPMSCUHTHQL-AFUMVMLFSA-N 392.886 5.725 30 40 GKEB C[C@H](Sc1nc(-c2ccc(C(C)(C)C)cc2)c(C#N)c(=O)[nH]1)c1ccccc1 11999928 QVPWIUGAMJDZFB-HNNXBMFYSA-N 389.524 5.459 30 40 GKEB C=CCOc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)c2ccccc12 225931491 WKOLMXZBRHVBBW-UHFFFAOYSA-N 387.479 5.092 30 40 GKEB CCC(C)(C)[C@H]1CCC(=O)/C(=C/Nc2ccc(Br)c(Cl)c2)C1 408562994 HMABLDDTKXANLB-YLSINNKHSA-N 384.745 6.204 30 40 GKEB Cc1sc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c(C#N)c1C 408628818 BLKOVKVGVRVMFV-UHFFFAOYSA-N 391.279 6.056 30 40 GKEB CC(C)NC(=O)COc1ccc(/C=N\c2ccc(Cl)c(C(F)(F)F)c2)cc1 408806166 AYSRSZNWCJJVBD-VROXFSQNSA-N 398.812 5.013 30 40 GKEB CCN1C(=O)/C(=C\c2cc(Cl)ccc2O)S/C1=N\c1cc(C)ccc1C 408912866 RTCUMUPMNVRHLQ-AUCMGLCLSA-N 386.904 5.286 30 40 GKEB CCCCN1C(=O)/C(=C\c2ccc(Cl)cc2)S/C1=N\c1ccc(C)cc1 408915624 QGXOBVVMYXLRLU-ZIGJTDFESA-N 384.932 6.053 30 40 GKEB C=CCSc1nc2sc(CCC)c(C)c2c(=O)n1-c1ccc(Cl)cc1 409131299 IUAJTFZYKQKLJT-UHFFFAOYSA-N 390.961 5.640 30 40 GKEB COc1cc(/C=N/c2ccccc2C)ccc1OCC(=O)Nc1cccc(C)c1 409199046 BDKRYHPJCMWQEJ-MFKUBSTISA-N 388.467 5.080 30 40 GKEB CCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)S/C1=N/c1ccc(F)cc1 409221216 MTRIYOICYSJHTG-XHUOSBLBSA-N 395.286 5.756 30 40 GKEB O=[N+]([O-])c1ccc(N/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1 409245883 AJXCJJIZOQDSBK-OYKKKHCWSA-N 388.402 5.183 30 40 GKEB O=C1C(c2ccccc2)=C(c2ccccc2)[C@H](c2ccccc2)[C@H]1c1ccccc1 1719563 OYJPHCIJQKVSSN-AHKZPQOWSA-N 386.494 6.748 30 40 GKEB CCC(C)(C)[C@@H]1CCc2c(sc(/N=C(O)/C=C/c3ccccc3)c2C#N)C1 2737047 JHGZZOIPVDZGLB-JIIJFUIFSA-N 378.541 6.462 30 40 GKEB FC(F)(F)c1cccc(OCCO/N=C/c2sc3ccccc3c2Cl)c1 3104922 PXVAQTAGFNZCEB-FOKLQQMPSA-N 399.821 6.003 30 40 GKEB N#Cc1cc(-c2cccc(C(F)(F)F)c2)cnc1Sc1cccc(Cl)c1 3133678 HNNAMOVPWFQJEO-UHFFFAOYSA-N 390.817 6.444 30 40 GKEB C/C(=N\OC(=O)c1ccc(C)cc1)c1sc(-c2ccc(Cl)cc2)nc1C 4085475 RLKMKKLZAREJED-OEAKJJBVSA-N 384.888 5.661 30 40 GKEB O=C(/C=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1cccc([N+](=O)[O-])c1 4158526 FRPHLXHXTDZZLD-VMPITWQZSA-N 388.206 6.058 30 40 GKEB CN(c1ccccc1)c1ccc(C(=O)/C=C/c2ccc(Br)cc2)cc1 4193538 URVDYFRLRUSUPW-CXUHLZMHSA-N 392.296 6.113 30 40 GKEB COc1ccc(/C=C/C(=O)c2c(-c3ccccc3)cc3ccccn23)cc1OC 5577340 ZMSSUAATQZAEJM-ACCUITESSA-N 383.447 5.520 30 40 GKEB O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc(Cl)c(-c3nc4ccccc4o3)c2)c1 6244181 BVJVRGCASVKFOM-SSDVNMTOSA-N 393.786 5.513 30 40 GKEB CCc1ccc(/N=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 8085141 UOETVMIEFFTDFU-HYARGMPZSA-N 391.383 5.608 30 40 GKEB Cc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 8371955 DPGCTNUFIFJOOX-HYARGMPZSA-N 385.872 5.167 30 40 GKEB COc1ccccc1N(C(=O)c1cccc(C#N)c1)c1nc2ccccc2s1 12799660 DGBRAHOXQQWLBE-UHFFFAOYSA-N 385.448 5.155 30 40 GKEB COc1ccc(/C=N/Nc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)n2)cc1 12851035 BRGRSZBUTNUMAK-WGOQTCKBSA-N 398.441 5.404 30 40 GKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(C(C)(C)C)cc3)S2)cc1Cl 408737988 HGAIVNJXSOFWJX-WQRHYEAKSA-N 384.932 5.838 30 40 GKEB CCCN1C(=O)/C(=C\c2cc(Cl)ccc2O)S/C1=N\c1ccc(C)cc1 408916104 UUKJXMKVZDHSHX-FTIPTLOASA-N 386.904 5.368 30 40 GKEB CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1 408943960 SWEHTJWOVUMFOE-KFGBLUBXSA-N 394.518 6.662 30 40 GKEB CC[C@H](C)Oc1ccc(/C=N/c2ccc(Cl)c(C(=O)OC)c2)cc1Cl 409019584 ZTACPEHEBPSENX-JHAVZTMOSA-N 380.271 5.708 30 40 GKEB CCCCc1ccc(/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)cc1 409099268 PTULJLMSVPIQOM-YBFXNURJSA-N 377.238 5.156 30 40 GKEB Cc1ccc(Sc2ccc(/C=N\c3ccccc3Br)cc2)cc1 409241157 RQUJJTPMLCTJBP-HMAPJEAMSA-N 382.326 6.659 30 40 GKEB Cc1cc(C)c2nc(SCC(=O)Nc3ccccc3Cl)c(C#N)cc2c1 4849167 SBXFHCXIEPZYFN-UHFFFAOYSA-N 381.888 5.108 30 40 GKEB CCCc1[nH]n(-c2nc3ccccc3s2)c(=O)c1/C(C)=N/c1ccc(C)cc1 13841721 JKIUBZHPOINRPD-HZHRSRAPSA-N 390.512 5.177 30 40 GKEB Cc1ccsc1/C=N\c1sc2c(c1C(=O)NC1CCCCC1)CCCC2 17167345 JJYQYCVZTMFVCR-XKZIYDEJSA-N 386.586 5.810 30 40 GKEB FC(F)(F)c1ccnc(-c2ccc(/C=N/OCc3ccccc3Cl)cc2)c1 22996421 WKZWVIJTZPIPFA-RPPGKUMJSA-N 390.792 5.972 30 40 GKEB Cc1cccc(NC(=O)CSc2nc3ccc(C(C)C)cc3cc2C#N)c1C 35315971 OQSIGVOYHWWBGH-UHFFFAOYSA-N 389.524 5.578 30 40 GKEB CCCCCCCC(=O)OCCCCCCCOC(=O)CCCCCCC 104053504 CPLXAFDSIDPNEC-UHFFFAOYSA-N 384.601 6.744 30 40 GKEB CCCCCC/C=C\CCCCCCCCCc1cc(O)cc(OC)c1O 104272332 BDWQNYPENCTULP-HJWRWDBZSA-N 376.581 7.296 30 40 GKEB C=CCN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(Cl)cc1 224717106 AQHJKYXQYJVNNX-UHFFFAOYSA-N 376.692 5.028 30 40 GKEB COc1ccc2nc(N=C3c4ccccc4-c4cccc(C(=O)O)c43)sc2c1 257173452 NVLKERLRXMYUTP-UHFFFAOYSA-N 386.432 5.153 30 40 GKEB Cc1ccc(C(=O)/C=C/c2c(C)n(Cc3ccc(F)cc3)c3ccccc23)cc1 408692276 IZDKPZYWWNNLEV-FOCLMDBBSA-N 383.466 6.342 30 40 GKEB O=C1NC(=Nc2ccccc2F)S/C1=C\c1ccc(-c2ccc(F)cc2)o1 408876509 LQJMVAAFBQLQLM-WQRHYEAKSA-N 382.391 5.116 30 40 GKEB Cc1c(/C=N\Nc2ccc([N+](=O)[O-])cc2)c2ccccc2n1Cc1ccccc1 408908797 DEYBEZRATKSOBC-IWIPYMOSSA-N 384.439 5.352 30 40 GKEB Cc1ccc(/N=C\c2ccc(Sc3ccc(Cl)cc3)cc2)cc1[N+](=O)[O-] 409075565 RVFBGAJVZKKHIM-XKZIYDEJSA-N 382.872 6.458 30 40 GKEB CC(C)(C)c1ccc(/N=C\c2ccc(Sc3ccc(Cl)cc3)cc2)cc1 409083487 AWKNSVRGVVCVDZ-XYGWBWBKSA-N 379.956 7.539 30 40 GKEB COc1cc(N2CCCCC2)ccc1/C=N/c1ccc(Oc2ccccc2)cc1 409247185 CJAJHYIKSKSPKN-LGUFXXKBSA-N 386.495 6.228 30 40 GKEB F[C@@H](C(F)(F)F)C(F)(F)OCCCC(F)(F)C(F)(F)C(F)(F)F 1772820734 CTXVGPWIGPSGAM-BYPYZUCNSA-N 378.128 5.109 30 40 GKEB CCN(CC)c1ccc(/C=N/c2ccc(Br)c(Cl)c2)c(O)c1 647446 NJOUARIADKLPQL-RGVLZGJSSA-N 381.701 5.405 30 40 GKEB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N/c2ccc(Cl)cc2O)c1C 1101711 BLWGUAFUHKKRKS-FOKLQQMPSA-N 382.847 5.210 30 40 GKEB C[C@H]1[C@@H](c2ccccc2)N(C)[C@@H](c2ccccc2)[C@@H](C)C1(O)C#Cc1ccccc1 4477936 HMVLFUWQWMPWKQ-LDPVYDQSSA-N 395.546 5.469 30 40 GKEB Cc1ccc(/C=N/N=C2/S[C@@H](C)C(=O)N2Cc2cccc3ccccc23)cc1 4953988 AYUAGQVQJFONOG-SVJCCZHLSA-N 387.508 5.002 30 40 GKEB C=Cc1ccc(COc2ccc3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)cc1 5253602 RLRSPNZZKZSOFX-QRVIBDJDSA-N 399.402 5.433 30 40 GKEB COc1ccc2cc(-c3cc(C(=O)O[C@H](C)C#N)c4ccccc4n3)ccc2c1 6586789 ULNCJWMQOOISAM-OAHLLOKOSA-N 382.419 5.132 30 40 GKEB C=CCn1c(-c2ccccc2)cs/c1=N\N=C(/O)C12CC3CC(CC(C3)C1)C2 6996063 VLTQKFIFFXAQTK-LVWGJNHUSA-N 393.556 5.391 30 40 GKEB Cc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc2)c(C)c1 8368773 DYYISNLBQJTCCW-OEAKJJBVSA-N 399.899 5.475 30 40 GKEB O=C1/C(=C/c2cccs2)CN(Cc2ccccc2)C/C1=C\c1cccs1 20432552 VEWNBLZJGWFBIR-KLCVKJMQSA-N 377.534 5.362 30 40 GKEB CCCCC(=O)Nc1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1OC 32115596 RJCRHJRNWIVEPU-SSDVNMTOSA-N 395.286 5.587 30 40 GKEB C=CCn1c(-c2ccc(OC)cc2)c(C)s/c1=N/c1cccc2ccccc12 100793001 YQULCUBIXHLKGV-OCOZRVBESA-N 386.520 6.105 30 40 GKEB CCN1c2cc(C)c(/C=N\NC(=S)Nc3ccccc3)cc2[C@@H](C)CC1(C)C 223576373 IRPXKJWXYNHDPP-HZRSJKMUSA-N 394.588 5.428 30 40 GKEB Fc1ccccc1COc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1 409216037 DKOBERQTDJNSQG-MTDXEUNCSA-N 397.449 6.948 30 40 GKEB C/C(=N\OCc1c(Cl)cccc1Cl)[C@H]1C[C@@H]1c1ccc(C(C)C)cc1 4084883 AWHIOBRWISNHCM-AGDBUHOPSA-N 376.327 6.813 30 40 GKEB C(=N/Nc1nc(-c2ccccc2)cs1)\c1c2ccccc2cc2ccccc12 4475327 LQCSFUFHRNBLEU-MFKUBSTISA-N 379.488 6.563 30 40 GKEB COc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OCc1ccc(F)cc1 8368512 SNEKHXVZWZOIRK-LGJNPRDNSA-N 397.877 6.434 30 40 GKEB CC(C)c1ccc(/C=C2\Oc3cc(OC(=O)C4CCCCC4)ccc3C2=O)cc1 9530518 PXMIWXXTRJZZTN-UCQKPKSFSA-N 390.479 5.912 30 40 GKEB C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc(F)cc1 14088252 SJOUJIMIFYOVSM-UHFFFAOYSA-N 389.883 5.128 30 40 GKEB Cc1ccc(NC(=O)CSc2nc3cc(C)c(C)cc3cc2C#N)cc1C 34791498 ZQHGPOFWILJAJQ-UHFFFAOYSA-N 375.497 5.071 30 40 GKEB C=CCn1c(S[C@@H](C)Cc2nc3ccccc3s2)nnc1-c1ccco1 79024308 GXAMBYHLUMNSPE-ZDUSSCGKSA-N 382.514 5.057 30 40 GKEB CCCCCCCCCCCCCCCCSc1ccncc1NN=O 104235436 MVHIZQPKGXAGRU-UHFFFAOYSA-N 379.614 7.748 30 40 GKEB CCCCCCCCCCCCNC(=S)N/N=C\c1cc(Cl)ccc1O 104373364 AHKMBBXJICQCGO-KQWNVCNZSA-N 398.016 5.765 30 40 GKEB Cc1cccc(C2(C(=O)Nc3ccc(OCC(C)C)cc3C#N)CCCCC2)c1 225759215 RQNJUBIIWUCRLL-UHFFFAOYSA-N 390.527 5.742 30 40 GKEB C=CCc1cc(C(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)ccc1OC 260455483 WOHPAJTZOPBLTE-RBUKOAKNSA-N 392.543 5.151 30 40 GKEB CC(C)Oc1ccc2ccccc2c1/C=C1\SC(=Nc2ccccc2)NC1=O 408529482 IGAQEKLYQIEQPU-STZFKDTASA-N 388.492 5.519 30 40 GKEB CCOc1ccc(-n2c(C)cc(/C=N\c3ccc(Cl)c(Cl)c3)c2C)cc1 409187021 KXOXACTXKGJFPW-CFRMEGHHSA-N 387.310 6.550 30 40 GKEB Cc1ccc(O)c(/N=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c1 3170270 GCMIDMRKJWXXQN-CIAFOILYSA-N 393.355 5.060 30 40 GKEB CC(=O)c1ccc(-c2ccc(/C=N/Nc3c(F)c(F)c(F)c(F)c3F)o2)cc1 4544198 HVLDQIOMPRGCOU-ZNLRHDTNSA-N 394.299 5.291 30 40 GKEB CC(C)[C@H](Sc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N)C(=O)O 4852998 SFXNLOPHCQYBNS-NRFANRHFSA-N 388.492 5.489 30 40 GKEB CC1=C(/C=C\C(C)=N\N=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1 4974722 SQYSFXIDGKWUEA-OXNPOLRYSA-N 380.620 7.989 30 40 GKEB Cc1cc(N2CCCC2)c(F)cc1/C=N/c1ccc(Br)c(Cl)c1 6389950 OUXZAEUHMBUSTC-SSDVNMTOSA-N 395.703 5.901 30 40 GKEB CSC1=N/C(=N\c2ccccc2C)[C@@]2(CCOC(C)(C)C2)N1c1ccccc1 13777090 QESDNDNVNAZGHV-ODMPFRHRSA-N 393.556 5.592 30 40 GKEB CC(/C=C1\S/C(=N\c2ccc(Br)cc2)NC1=O)=C\c1ccccc1 15015629 PDIFRSZLSURBJJ-YMGXUNRSSA-N 399.313 5.287 30 40 GKEB N#Cc1c(/N=C/c2cccc(F)c2)sc2c1CCN(Cc1ccccc1)C2 16479905 JBNRKLHIIYNOEE-DHRITJCHSA-N 375.472 5.068 30 40 GKEB C(=N/c1ccc(/N=N\c2ccccc2)cc1)\c1c2ccccc2cc2ccccc12 100211987 FEHMVYCMCCHJNH-YKECJIMTSA-N 385.470 8.159 30 40 GKEB Cc1ccc(/C(=N/C(=O)/C=C2\N(C)c3ccccc3C2(C)C)C(F)(F)F)cc1 105924016 DSZZDHWAYUMENA-ASVIBXAOSA-N 386.417 5.185 30 40 GKEB CC/N=C1\S/C(=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3CC)C(=O)N1CC 223534851 CCXNFXAURXBWHK-VGSCUOFZSA-N 385.577 5.111 30 40 GKEB CC(C)COc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1C#N 225751137 KIKVGSFBBASGJD-UHFFFAOYSA-N 396.918 5.697 30 40 GKEB Cc1ccc(Cl)cc1/N=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12 408542889 OKOIWDAKXDDNGU-BHGWPJFGSA-N 392.842 5.693 30 40 GKEB COC(=O)c1ccc(C)c(/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1 408778473 UZCSXTVIWLESRV-ZMOGYAJESA-N 380.875 5.593 30 40 GKEB CCCN1C(=O)/C(=C\c2ccc(C)c(OC)c2)S/C1=N\c1ccc(C)cc1 408907606 BTZINMIDRPDOSR-QNQNADBQSA-N 380.513 5.326 30 40 GKEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(N4CCCCC4)cc3)S2)cc1 408962201 XFGXTYGXGNXOGY-PGMHBOJBSA-N 391.540 5.131 30 40 GKEB Cc1ccc(-c2ccc(/C=N/c3ccc(C(C)C)cc3)o2)c(Br)c1 409233138 QUZLYLSTKQWIND-YDZHTSKRSA-N 382.301 6.892 30 40 GKEB O=C(c1ccccc1C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575242602 AALCQLITVKRFRM-UHFFFAOYSA-N 392.139 5.356 30 40 GKEB CC[C@@H](Oc1ccccc1)C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 2742043 LXQXBWXQJRISQD-HNAYVOBHSA-N 396.556 5.567 30 40 GKEB Cc1cc(/C=N/Nc2nc3ccccc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 6314965 RGIKGRHZEPUGQD-FOKLQQMPSA-N 398.297 5.723 30 40 GKEB COc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3Cl)cc2)cc1 7939537 HTNFVQOARBADIS-OVCLIPMQSA-N 378.855 5.824 30 40 GKEB CCOC(=O)c1ccc(/N=C(\CCSc2ccccc2)NC(C)(C)C)cc1 17123205 PSQADHADUSKUIY-UHFFFAOYSA-N 384.545 5.464 30 40 GKEB CCCCCCCCCCCCCCOc1ccc(C2=NC[C@H](C)N2)c(O)c1 100934000 AYZLAIJRVSRSBJ-FQEVSTJZSA-N 388.596 6.210 30 40 GKEB COc1cc(/C=N\c2ccc(C)c(Cl)c2)ccc1OC(=O)c1ccccc1 104160203 VAPQJLSTGSTPPE-OYKKKHCWSA-N 379.843 5.627 30 40 GKEB COC(=O)c1cccc(Cn2cc(/C=N\c3ccc(C)cc3C)c3ccccc32)c1 408540752 BNCSXFPMGHNDST-DICXZTSXSA-N 396.490 5.844 30 40 GKEB COc1ccc([N+](=O)[O-])cc1/N=C\c1cc(C)n(-c2ccc(Cl)cc2)c1C 408774919 DMDFJJZEWIFJIA-UUYOSTAYSA-N 383.835 5.415 30 40 GKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(F)c(C)c3)c2C)cc1 408781906 CWOOHTQNZCBCLY-AFUMVMLFSA-N 378.447 5.469 30 40 GKEB Cc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1ccccc1F 409095876 INOKCEFGJHRPQJ-KIBLKLHPSA-N 376.357 5.093 30 40 GKEB C=CCn1c(COc2c(C)cccc2C)nnc1SCc1ccc(Cl)cc1 409341831 CAUOAACHUIGDNF-UHFFFAOYSA-N 399.947 5.606 30 40 GKEB C=C(C)[C@H]1C[C@H](c2cccc(C)c2)[C@H](C)O[C@@H]1c1cccc(F)c1OCC(=O)O 2037875523 SRRZCWZAPJSJMH-YLTWVVNKSA-N 398.474 5.424 30 40 GKEB CCCOc1ccc(-c2nc(Oc3ccc(C#N)cc3)c3ccccc3n2)cc1 1743498 KNDBCFLZLFLTFX-UHFFFAOYSA-N 381.435 5.750 30 40 GKEB C[C@@]12OC(c3ccccc3)=CC(c3ccccc3)=C1C(c1ccccc1)=CC2=O 2146331 HGPNGXFIZUYUNC-MHZLTWQESA-N 376.455 5.937 30 40 GKEB CC(C)Sc1ccc(/C=N/OCc2c(Cl)cccc2Cl)cc1[N+](=O)[O-] 3028687 LDANJEBFFAKTNX-AWQFTUOYSA-N 399.299 5.953 30 40 GKEB Cc1c(CCC(C)C)c(N2C[C@H](C)C[C@@H](C)C2)n2c(nc3ccccc32)c1C#N 4869587 PZWQIBGAZCNSMO-QZTJIDSGSA-N 388.559 5.739 30 40 GKEB O=C1C(=Cc2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)C(=O)c2ccccc21 13208223 PNVHZFNRJVJAMC-UHFFFAOYSA-N 395.336 5.355 30 40 GKEB CCCCCC#CCN1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1 13691353 VJGDSKFJZDMIPO-UHFFFAOYSA-N 387.527 5.072 30 40 GKEB N#Cc1ccc(Cl)cc1/N=C(\O)CN(Cc1ccc(F)cc1)CC(F)(F)F 78970163 BJRUVPPCZJAJLZ-UHFFFAOYSA-N 399.775 5.003 30 40 GKEB CCCCCCCCCCCCCCCC[C@@H](O)CNCc1ccccc1 100238808 FLRODRGUDQRRAY-RUZDIDTESA-N 375.641 7.009 30 40 GKEB CCn1c(=O)c(/C(C)=N/c2cc(Cl)ccc2Cl)c(O)c2ccccc21 100357660 SVJWSTNQRGHXEV-SSDVNMTOSA-N 375.255 5.175 30 40 GKEB O=C(COc1ccc(/C=N\c2ccc(Cl)cc2)cc1)Nc1ccc(F)cc1 100416820 QWILZEPHULGRML-CFRMEGHHSA-N 382.822 5.247 30 40 GKEB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](/N=C\c3ccccc3)CC[C@@H]12 118917459 PSKHDAPOVCIOJR-XEEOAIRGSA-N 379.588 5.878 30 40 GKEB Cc1ccc(COc2ccc3ccccc3c2/C=N/c2cccc(C)c2C)cc1 409201418 MVSWGUZEEBBHQY-OGLMXYFKSA-N 379.503 7.095 30 40 GKEB CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@@H]2c1ccc(Cl)cc1 663005 NNGLOGDPJVKHKT-CTNGQTDRSA-N 389.882 5.382 30 40 GKEB C=C(C)Cc1cc([C@H](CC)[C@@H](CC)c2ccc(O)c(CC(=C)C)c2)ccc1O 1677712 WQKVOILCLLTXIZ-ZEQRLZLVSA-N 378.556 7.022 30 40 GKEB CC(C)c1ccc(NC(=S)N/N=C/c2cccc(Oc3ccccc3)c2)cc1 3267422 VYNBAYFAYXJARC-LFVJCYFKSA-N 389.524 5.923 30 40 GKEB Fc1cccc(CO/N=C/c2c(-c3ccccc3)nc3ccc(Cl)cn23)c1 4024649 DWQMQFLGZFVXNS-WYMPLXKRSA-N 379.822 5.345 30 40 GKEB COc1ccccc1/C=N/Nc1nc(-c2ccccc2Cl)nc2ccccc12 4828134 JXIXYXDKIBWQJB-ZVHZXABRSA-N 388.858 5.405 30 40 GKEB CCCCCC[C@@H](/C=N\N=C1c2ccccc2-c2ccccc21)Cc1ccccc1 5031730 HRLITXPCTNOQNH-WEHFJGPMSA-N 394.562 7.320 30 40 GKEB C=C(C)CSc1nc2c(c(=O)[nH]1)[C@](CC)(C1CCCCC1)Cc1ccccc1-2 5093644 RWILDBCFHCQHIZ-DEOSSOPVSA-N 394.584 5.889 30 40 GKEB Cc1ccc(/C=C2\S/C(=N\c3ccc(Cl)c(C(F)(F)F)c3)NC2=O)cc1 5376308 YYEHOVUHRDJOES-NVNXTCNLSA-N 396.821 5.559 30 40 GKEB Cc1cccc(N2CCN(C3=C(c4ccccc4)C(=O)c4ccccc43)CC2)c1C 6793650 UJZMGFQAUOBCSJ-UHFFFAOYSA-N 394.518 5.190 30 40 GKEB Cc1ccsc1/C=C1\Oc2c(ccc(O)c2CN(C)Cc2ccccc2)C1=O 9048791 HAZFCVGPBUQMKX-NDENLUEZSA-N 391.492 5.010 30 40 GKEB COc1ccc(C2=NN([C@H](C#N)c3ccc(OC)cc3)[C@@H](c3ccccc3)C2)cc1 12630533 PQOONWXYKHRVJH-JWQCQUIFSA-N 397.478 5.120 30 40 GKEB aggregator N#Cc1c(N)nc2c(c1N)[C@H](c1ccc(Cl)cc1)c1ccc3ccccc3c1O2 22145488 ZWFCJBALHHWLJY-GOSISDBHSA-N 398.853 5.210 30 40 GKEB C/C(=C\C(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)c(Br)c1 32100581 VHGCKKHGRQVFDK-CSKARUKUSA-N 385.088 5.955 30 40 GKEB Cc1cccc(/N=N/c2ccc(N/N=C3\C(=O)C=Cc4ccccc43)cc2C)c1 104852194 KYBXDARFBVNOIN-ICDOYBSHSA-N 380.451 6.131 30 40 GKEB C[C@@H]1CC[C@@H]([C@@H]2C[C@H]3CC[C@H]2C3)/C(=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 108234413 GAQNEEVUJTXDHR-BXBVPPHZSA-N 386.452 5.143 30 40 GKEB C=CCSc1ccccc1C(=O)N[C@@H]1CC(CC)(CC)Oc2ccccc21 225748666 IVIBNROYAJQNED-LJQANCHMSA-N 381.541 5.777 30 40 GKEB C=CCOc1ccc(NC(=O)CSCc2c(Cl)cccc2Cl)cc1 408573340 BPOHFTVKEZSFEU-UHFFFAOYSA-N 382.312 5.430 30 40 GKEB O=C1/C(=C/c2cc(Cl)ccc2OCc2ccccc2)Sc2ccccc21 408846383 SDTOFTNCSJUXKP-BKUYFWCQSA-N 378.880 6.249 30 40 GKEB CCOC(=O)c1ccc(/N=C/c2cccn2-c2cccc(Br)c2)cc1 409016090 SFIUNCNEAAZTDM-HYARGMPZSA-N 397.272 5.167 30 40 GKEB Cc1ccc(-c2ccc(/C=N\c3ccc(Cl)cc3O)o2)c(Br)c1 409233094 KBWNBJAYUAEYBP-FBHDLOMBSA-N 390.664 6.127 30 40 GKEB O=C(/C(Br)=C/c1ccccc1)/C(Br)=C/c1ccccc1 1707162 SJEVIRRLNSMNAS-NFLUSIDLSA-N 392.090 5.428 30 40 GKEB C#CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc(Cl)cc(Cl)c1 3051159 FPJAVPQVTBHSAP-UHFFFAOYSA-N 386.200 5.288 30 40 GKEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1 3202642 BXJWAXXOIRYUKP-NRFANRHFSA-N 381.516 5.024 30 40 GKEB C=CCn1c(SCc2nc3ccccc3nc2C)nnc1C1CCCCC1 3476937 BMCSRLTZJFLQAM-UHFFFAOYSA-N 379.533 5.056 30 40 GKEB COc1cc2c(cc1C)/C(=N\OC(=O)c1cc(SC)ccc1Cl)CCC2 4459118 LKJAZZBUMIZHSK-PYCFMQQDSA-N 389.904 5.276 30 40 GKEB COc1c(Br)cc(Br)cc1/C=C/C(=O)c1ccccc1 4657357 ZTFLBHITSKNOCF-BQYQJAHWSA-N 396.078 5.116 30 40 GKEB C[C@H](Oc1ccc(-c2ccc(C#N)cc2)cc1)C(=O)N[C@@H]1CCCc2ccccc21 5406933 BDNHKOIJQCTTKP-AVRWGWEMSA-N 396.490 5.186 30 40 GKEB CCOc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 5475526 QPRWVZGGTABDGQ-OAHLLOKOSA-N 382.529 5.422 30 40 GKEB Cc1ccc(/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)c(C)c1 8368731 VFJOOYHMBBNZSZ-ZVHZXABRSA-N 394.312 6.396 30 40 GKEB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\Sc3ccccc3C2=O)o1 13550063 YHDHJVYRFZIIGO-ODLFYWEKSA-N 379.393 5.193 30 40 GKEB COc1ccc(-c2ccc(/C=C3\Sc4ccccc4C3=O)o2)c([N+](=O)[O-])c1 13577004 SACRILLVUKWISK-ODLFYWEKSA-N 379.393 5.193 30 40 GKEB CSc1nc(C2CC2)cc(C(=O)Nc2c(C(C)C)cccc2C(C)C)c1C#N 14120306 UNALZSOZEMFZNZ-UHFFFAOYSA-N 393.556 6.052 30 40 GKEB Cc1nn2c(c1-c1ccccc1)NC1=C(C(=O)C[C@@H](C)C1)[C@H]2c1ccc(F)cc1 14163634 SLVPOGYBKJKAAY-LFVRLGFBSA-N 387.458 5.266 30 40 GKEB Cc1cc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)nc2ccccc12 23410115 LJJQLUSGQLGWDM-CYBMUJFWSA-N 393.537 5.084 30 40 GKEB CCOc1ccc(-c2csc(/C(C#N)=N/Nc3cccc(Cl)c3)n2)cc1 44827488 WGXFMVGCYRAWHI-JJIBRWJFSA-N 382.876 5.202 30 40 GKEB CCCCOc1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 59387402 UFVHORIVEOQJND-LPYMAVHISA-N 385.920 6.088 30 40 GKEB Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2 69372824 DSYKZZSJNICPPN-WMQCIHAUSA-N 376.475 5.365 30 40 GKEB CCCCCCCCCCCCSc1ccc(C(=O)OC)cc1[N+](=O)[O-] 96022808 ANERJTMKGMFYBF-UHFFFAOYSA-N 381.538 6.394 30 40 GKEB O=C1C(Cl)=C(Cl)C=COc2c1ccc1c2ccc2cc3ccccc3cc21 98088200 QDPSZYNJYJMHNC-UHFFFAOYSA-N 391.253 6.924 30 40 GKEB CCCCCCCCCCCCSC(=O)c1ccc(Cl)c(Cl)c1 104357538 QTGPKGZRZQXQQZ-UHFFFAOYSA-N 375.405 7.788 30 40 GKEB CC[C@@H](C)N1C(=O)/C(=C\c2ccc(Cl)cc2)S/C1=N\c1ccc(C)cc1 408912089 KXGDESZLJPWHTB-XNGCSZICSA-N 384.932 6.051 30 40 GKEB COc1ccc(/N=C/c2cc(Br)c(Br)o2)cc1Cl 408951152 HWMPSLQJFBMEBJ-OMCISZLKSA-N 393.462 5.217 30 40 GKEB C=CCO[C@H]1CC2(CCN(Cc3cccc(OC)c3)CC2)c2ccc(C)cc21 2055806684 VJPZIZFPXRZPMJ-DEOSSOPVSA-N 377.528 5.185 30 40 GKEB CCOc1cccc(/C=N/c2ccc(Br)c(C(F)(F)F)c2)c1O 2067713 ATQVTCHONHKJFB-ZVBGSRNCSA-N 388.183 5.323 30 40 GKEB COc1ccccc1/C=C/C=C1\Oc2cc(OC(=O)c3ccccc3)ccc2C1=O 2153127 HJQXXYFIBFMMDE-QWQNUTRASA-N 398.414 5.087 30 40 GKEB biogenic O=C(/C(=C(\S)Nc1cccc2ccccc12)[n+]1ccccc1)c1cccs1 5156441 OZEFAMBSYYPBJZ-UHFFFAOYSA-O 389.525 5.240 30 40 GKEB N#C/N=C(\S/C=C/C(=O)c1cccc2ccccc12)SCc1ccccc1 5683347 BUBGMJBBEOPMGX-IMSUJZNUSA-N 388.517 6.040 30 40 GKEB CCc1ccc(/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 5954355 KFUOKSGHJUTXAN-HYARGMPZSA-N 391.383 5.608 30 40 GKEB O=C(/C=C/c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 6346582 RAWCYAWKOAEDET-OQLLNIDSSA-N 398.462 5.758 30 40 GKEB CC[C@H](C)c1ccc(-c2c(C)sc(NC(=O)c3ccnn3C)c2C#N)cc1 6791485 JJXNYXMBEHHMOS-ZDUSSCGKSA-N 378.501 5.095 30 40 GKEB C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccc(C(C)C)cc3)c12 8342536 QBDANGFWMPZGQM-NTCAYCPXSA-N 383.495 5.803 30 40 GKEB O=[N+]([O-])c1cc(-c2ccc(/C=N/NCc3ccc(Cl)cc3)o2)ccc1Cl 10118816 ZCBCHFNGUIFYOY-SSDVNMTOSA-N 390.226 5.285 30 40 GKEB COc1ccc(OCc2ccc(-c3nc(C#N)c(NC4CCCCC4)o3)o2)cc1 12418967 DZMOJLHVCGLVPF-UHFFFAOYSA-N 393.443 5.138 30 40 GKEB COc1cc(/C=N/Nc2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1O 13713340 NNTFEPBTWLRMFD-DNTJNYDQSA-N 394.283 5.277 30 40 GKEB COc1ccc(/N=C(\O)[C@H](/N=C(\O)C2CCC(C)CC2)C(C)C)cc1OC 59515135 HVRFVRMUVMBHPS-JFIBYHEFSA-N 376.497 5.099 30 40 GKEB CC/C(C)=N\Nc1nc2cc(C)c(NC(=O)c3cccc(F)c3)c(C)c2s1 72228601 TWKPGCGHFPWUKZ-MSXFZWOLSA-N 384.480 5.502 30 40 GKEB CCCCCCCCCCCCCCC[C@@H](O)[C@@H](CO)NC(=O)CCCCC 78215305 VUMHYWBWYSPQMM-DHIUTWEWSA-N 399.660 5.886 30 40 GKEB Cc1cc(O)ccc1N/C=C/c1onc(-c2c(Cl)cccc2Cl)c1C#N 100108085 BSCPRQHWIHHHEX-BQYQJAHWSA-N 386.238 5.617 30 40 GKEB C[C@@]1(c2ccccc2)CCCCC/C1=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 104234909 MULHDGTUHCRWOZ-UUZBPDLYSA-N 382.420 5.193 30 40 GKEB C=CCSc1ccccc1C(=O)Nc1ccc(OCc2ccccc2)cc1 219801481 SAOGGWUUSKLTQI-UHFFFAOYSA-N 375.493 5.796 30 40 GKEB Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2ccc(F)cc2)c(Cl)c1 409218790 KUUULQJEGUIGOQ-BRJLIKDPSA-N 388.269 6.771 30 40 GKEB C/C(=N\N=c1sc(C)c(-c2ccccc2)n1Cc1ccco1)c1ccccc1 504522889 MXMVABFBIVQHJH-DJBLSUFVSA-N 387.508 5.491 30 40 GKEB CC(C)C[C@H]1CC(=O)Oc2ccc3c(c21)O/C(=C\c1ccc(C(C)C)cc1)C3=O 524731746 JFSROBHDDNXKNU-UMUMUWHJSA-N 390.479 5.865 30 40 GKEB biogenic C[C@H]1CCc2c(sc(NC(=O)COc3ccccc3C(C)(C)C)c2C#N)C1 947398 JYYDKIXRNQJWQU-AWEZNQCLSA-N 382.529 5.060 30 40 GKEB C/C(=N\OC(=O)c1cccs1)c1sc(-c2ccc(Cl)cc2)nc1C 1406833 OQPMWFNNNOCVSO-RGVLZGJSSA-N 376.890 5.414 30 40 GKEB Cc1cc(/C=N/N=c2/[nH]c3ccccc3s2)c(C)n1-c1cccc2ccccc12 2594520 NJJZWKLVDRBBJT-MFKUBSTISA-N 396.519 5.725 30 40 GKEB CCCCCCCCCCOc1ccc(N(C)C(=O)C#Cc2ccccc2)cc1 3109458 WBMCTCJZHNXQAZ-UHFFFAOYSA-N 391.555 6.221 30 40 GKEB CC[C@H](C)c1ccccc1/N=C/c1cc(Cc2ccccc2Cl)ccc1O 6449795 NXORVGSQDDWVKG-GNYKCMPYSA-N 377.915 6.901 30 40 GKEB Cc1cccc(N2C(S)=N/C(=N\c3ccccc3C)[C@@]23CCOC(C)(C)C3)c1 17147270 OFSZASWJBNBWLR-QHCPKHFHSA-N 393.556 5.467 30 40 GKEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc2ccccc12 19791863 HASWDZYUGLTPMB-JOCHJYFZSA-N 389.495 5.007 30 40 GKEB CC(C)CN(Cc1c(O)ccc2c1O/C(=C\c1cccs1)C2=O)CC(C)C 20650174 MEIBAONGYLVCOT-JMIUGGIZSA-N 385.529 5.184 30 40 GKEB CCCCOc1ccc(/C=N\Nc2ccc(Br)cc2)cc1OCC 30753569 NNUHPBPRJFMFOE-STZFKDTASA-N 391.309 5.473 30 40 GKEB CC(C)(C)C(=O)Nc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1 42032581 WDKIHJNPUNDPRA-UHFFFAOYSA-N 397.478 5.462 30 40 GKEB CC/N=C1\S/C(=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)C(=O)N1CC 59104870 SZOWSNXOLCQAFD-JDJFWADASA-N 381.545 5.023 30 40 GKEB CCN1c2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2C(C)=CC1(C)C 198160612 GFONSTTZFKKQKN-TURZUDJPSA-N 396.534 7.251 30 40 GKEB C=CCN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc2ccccc2c1 225062254 DAORNLVAIIZVQM-UHFFFAOYSA-N 391.414 5.240 30 40 GKEB Cc1c(Cl)cccc1-n1c(C)cc(/C=N/OCc2ccccc2C#N)c1C 408592257 MAGLCDOTFRCRNI-DHRITJCHSA-N 377.875 5.478 30 40 GKEB C=CCc1cc(CNc2ccc(C)cc2)cc(OC)c1OCc1ccccc1F 409110137 SFWSDWBPYYFNAW-UHFFFAOYSA-N 391.486 6.062 30 40 GKEB COc1cccc(/C=N/c2ccc(C)c(C)c2)c1OCc1ccc(C(=O)O)cc1 409188373 YQUYSPCXNVXNKL-AFUMVMLFSA-N 389.451 5.340 30 40 GKEB Cc1c(Cl)c(C)c(/C=N/c2ccc(F)c(Cl)c2)c(O)c1Br 3114143 SERBNTGERMSOGC-CGOBSMCZSA-N 391.067 5.968 30 40 GKEB Cc1ccc(/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 3190413 ZDRYUVZOHMMZRK-FYJGNVAPSA-N 377.356 5.354 30 40 GKEB N#Cc1ccccc1COc1ccc(/C=N/c2sc3c(c2C#N)CCCC3)cc1 4739266 QFJWHUKZSGYDQU-JFLMPSFJSA-N 397.503 5.700 30 40 GKEB COc1cccc(/C=N/Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c1 4980097 NIYSXYUPJAVFDR-AWQFTUOYSA-N 378.284 5.572 30 40 GKEB N#Cc1ccc(/C=C/c2cc(-c3ccccc3)n3c(nc4ccccc43)c2C#N)cc1 6648487 GEVXDINXBVIQTO-CCEZHUSRSA-N 396.453 6.068 30 40 GKEB CSc1ccc([C@H]2Sc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1 7449903 SVVZQWOQBBNXTH-OAQYLSRUSA-N 381.566 6.311 30 40 GKEB O/N=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 11797447 IAXPTSBUVJQXPS-WSVATBPTSA-N 375.049 5.143 30 40 GKEB O=C1/C(=C/c2ccc(Cl)cc2Cl)[C@H](c2ccccc2)Oc2ccccc21 12339533 LXKBGZGYHRXSIO-VWOYCULZSA-N 381.258 6.393 30 40 GKEB CC(C)c1ccc(/C=N/Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1 26841229 VVOREZWSNVXNOO-FSJBWODESA-N 389.480 5.486 30 40 GKEB C=CCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(C)cc4)=NN23)cc1 36352198 RMEPKQWWVDQZPC-RSXGOPAZSA-N 396.490 5.802 30 40 GKEB CCCCCCCNCc1cccc(OC)c1OCc1ccccc1Cl 102568323 YPDVREZZOJPINS-UHFFFAOYSA-N 375.940 5.988 30 40 GKEB CC(C)COc1ccc(/C=N\c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 409080277 MQZXQDZNQRLDLK-GFEOOXAPSA-N 394.584 6.556 30 40 GKEB C=CCOc1c(Br)cc(CNc2ccccc2CC)cc1OCC 409114174 CZDOUUPFVZNRDN-UHFFFAOYSA-N 390.321 5.587 30 40 GKEB C=CCc1cc(CNc2ccccc2)cc(OC)c1OCc1cccc(F)c1 409115372 MAYZKLWZCKIJJV-UHFFFAOYSA-N 377.459 5.754 30 40 GKEB C#CCOc1cccc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)c1 409381211 SJFUECQZFWAWBL-MFKUBSTISA-N 382.375 5.434 30 40 GKEB COc1ccc(C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1 972441 ZSHRQTMHUDGULD-UHFFFAOYSA-N 394.430 5.746 30 40 GKEB CCOc1ccccc1[C@H]1C2=C(CC(C)(C)CC2=O)N=C2C1=C(O)c1ccccc12 1268346 CTZQOXBYLRRAIB-NRFANRHFSA-N 399.490 5.598 30 40 GKEB Cc1cc([C@H]2Sc3ccccc3NC3=C2C(=O)c2ccccc23)c(C)c(C)c1C 2444917 DQTHXMFGUFCFDV-AREMUKBSSA-N 397.543 6.787 30 40 GKEB COc1ccc(-c2nc3cc(/N=C/c4c(O)ccc5ccccc45)ccc3o2)cc1 3162544 GOIRSYRJLSQMSW-CVKSISIWSA-N 394.430 6.113 30 40 GKEB CCC[C@@H]1S/C(=N/N=C/c2ccc(C)cc2C)N(Cc2ccc(F)cc2)C1=O 4888982 IRFCVDGQBCNITL-USZBFOJCSA-N 397.519 5.077 30 40 GKEB COc1cccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2cccs2)c1 7140925 JIOCEHJFDORJBK-OUKQBFOZSA-N 386.476 5.506 30 40 GKEB Oc1c(Cl)cc(Cl)cc1/C=N/c1cccc2c(-c3ccccc3)ccnc12 13227886 ZLLMKXDQRLPXBW-LGJNPRDNSA-N 393.273 6.665 30 40 GKEB N#Cc1ccccc1-c1ccc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)o1 214049163 BOGHGQCZRDPJBJ-UDWIEESQSA-N 386.432 5.055 30 40 GKEB CSC(=Nc1ccccc1)c1c(-c2ccccc2)cc2n(C)c3ccccc3n12 334141694 UDAMVUHIIJDUGC-UHFFFAOYSA-N 395.531 6.539 30 40 GKEB CCCN1C(=O)/C(=C\c2ccc(OC(C)C)cc2)S/C1=N\c1ccccc1 408905503 AYGQUALRFQGTMM-OCIPIQTLSA-N 380.513 5.488 30 40 GKEB O=C1C(=Cc2ccc(-c3cccc(Br)c3)o2)C(=O)c2ccccc21 408911794 DKCLWOUWNHYMSG-UHFFFAOYSA-N 379.209 5.172 30 40 GKEB Cc1cc(C)c(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)c(C)c1 408967028 RRDZNICWZZCCRZ-CXUHLZMHSA-N 391.323 5.810 30 40 GKEB C=CCOc1ccc2ccccc2c1/C=N/NC(F)(F)C(F)(F)C(F)(F)F 409031903 BIQSNZMGPZSQJG-KIBLKLHPSA-N 394.290 5.119 30 40 GKEB C#CCOc1c(CC=C)cc(CNc2ccc(Oc3ccccc3)cc2)cc1OC 409116836 LYPOYHMEIDSMSO-UHFFFAOYSA-N 399.490 5.840 30 40 GKEB C=CCN1C(=O)/C(=C/c2ccc(-c3ccccc3C(F)(F)F)o2)SC1=S 409212849 RBSNVIXUNOZLBM-GDNBJRDFSA-N 395.427 5.353 30 40 GKEB Cc1cccc(C(=O)Nc2cc(C#N)ccc2Sc2ccc(Cl)cc2)c1 1383054 GVPIVYRZPSJDRY-UHFFFAOYSA-N 378.884 5.924 30 40 GKEB N#Cc1c(NC(=O)c2ccc(Cl)cc2Cl)sc(=S)c2c1CCCC2 1522191 WGZQNMNNFCRUHR-UHFFFAOYSA-N 395.336 5.787 30 40 GKEB C=C(C)CSc1nc2c(c(=O)n1CCC)C1(CCCCC1)Cc1ccccc1-2 2329676 RAXZFSKEZXOOTQ-UHFFFAOYSA-N 394.584 5.747 30 40 GKEB O=[N+]([O-])c1ccc(N/N=C/c2ccccc2OCc2ccc(Cl)cc2)cc1 4359481 QPFNLCIPCHWOKA-LPYMAVHISA-N 381.819 5.273 30 40 GKEB CCCC/N=C1\S/C(=C\c2ccc(Cl)cc2Cl)C(=O)N1CCCC 5552235 FFKNPSLMPBRCBQ-HWYZMAPZSA-N 385.360 5.866 30 40 GKEB C/C(=C\C(=O)C(F)(F)F)Nc1c(C(=O)c2cccs2)oc2ccccc12 8718085 BRLPQNQDPQRYIL-MDZDMXLPSA-N 379.359 5.172 30 40 GKEB Cc1nc(C)c(C#N)c(SCc2cn(-c3ccccc3)nc2-c2ccccc2)n1 22524619 NNBTTYXMTDMADQ-UHFFFAOYSA-N 397.507 5.110 30 40 GKEB Cc1ccc2[nH]c(=O)c(C(=O)/C=C/c3cccc(F)c3)c(-c3ccccc3)c2c1 79112352 WAECCQUMQRNPRB-ACCUITESSA-N 383.422 5.539 30 40 GKEB O=C(NCc1ccccc1)c1c(/N=C/c2ccccc2O)sc2c1CCCC2 98086342 YTTZCXWVUPTNBQ-MFKUBSTISA-N 390.508 5.013 30 40 GKEB Cc1ccccc1NC1=C(c2ccc(C(F)(F)F)cc2)C(=O)c2ccccc21 101091669 VKBQBGUJQOHOGM-UHFFFAOYSA-N 379.381 6.191 30 40 GKEB COc1ccc(-c2csc(N/N=C3/C[C@@H]4CC[C@]3(C)C4(C)C)n2)cc1OC 102956626 ZRHNAWSYXPVSQK-LCCCLELUSA-N 385.533 5.441 30 40 GKEB CCCCCCOc1ccccc1/C=C1\SC(=Nc2ccc(C)cc2)NC1=O 408886945 MYGLEHKENRPFBH-PGMHBOJBSA-N 394.540 5.846 30 40 GKEB COCCCN1C(=O)/C(=C/c2c(C)cc(C)cc2C)S/C1=N\c1ccccc1 408937310 QHQZYWKOPLHZAK-YACCPEJUSA-N 394.540 5.252 30 40 GKEB CN(C)c1ccc(/C=N/c2oc(-c3ccccc3)c(-c3ccco3)c2C#N)cc1 408975489 MFXLSZOFKHOMRM-WGOQTCKBSA-N 381.435 5.895 30 40 GKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(C#N)cc4)o3)S2)cc1C 409023221 YOMMBMBGAAZTAF-MTJSOVHGSA-N 399.475 5.327 30 40 GKEB CC(C)(C)c1ccccc1/N=C/c1cccc(/C=N/c2ccccc2C(C)(C)C)c1 2182778 AEJWHDBPSBJVMC-CZYCKNNWSA-N 396.578 7.783 30 40 GKEB Cc1cccc(C)c1/N=C1\C2=CC=CC3=CC=C[C@H](\C1=N/c1c(C)cccc1C)[C@H]32 4293453 YPOGTCIJJHJVON-CWOQOCGBSA-N 390.530 7.004 30 40 GKEB CC(C)(C)c1ccc(-c2n[nH]c(=S)n2/N=C\c2c(F)cccc2Cl)cc1 4480047 ZCCZZDMVFOBRAM-JJFYIABZSA-N 388.899 5.580 30 40 GKEB CCOC(=O)c1cc(-c2ccc(/N=C\c3cccs3)cc2)nc2ccccc12 4821861 ZPVWDUSWTISIBQ-IWIPYMOSSA-N 386.476 5.891 30 40 GKEB CCn1c2ccccc2c2cc(/C=N/Nc3ccc(C(F)(F)F)cn3)ccc21 5174376 LSAIIGMRMSUXQT-RPPGKUMJSA-N 382.389 5.674 30 40 GKEB Cc1ccccc1NC(=O)CSc1nc2ccc(C(C)C)cc2cc1C#N 35288884 ATBNYQSGUXLHRC-UHFFFAOYSA-N 375.497 5.269 30 40 GKEB COc1ccc(Br)c(/C=N/c2ccc(Nc3ccccc3)cc2)c1O 100933755 LXKHRQKSOJVHLO-LPYMAVHISA-N 397.272 5.658 30 40 GKEB CCCCCCCCN1C(=O)c2cc([N+](=O)[O-])ccc2Oc2cc(C)ccc21 100939322 XCNHAGGXBIKEMX-UHFFFAOYSA-N 382.460 6.016 30 40 GKEB CCOC(=O)c1c(-c2ccccc2Cl)csc1/N=C\c1ccccc1O 105854646 WRZQBQYTYBBXIY-JJFYIABZSA-N 385.872 5.701 30 40 GKEB CC(=O)/C(Sc1ccccc1[N+](=O)[O-])=C(\C)OC(=O)c1ccc(Cl)cc1 105919309 LJZLTLMFOAKWRI-ATVHPVEESA-N 391.832 5.018 30 40 GKEB COC(=O)c1cccc(Cn2cc(/C=N/c3ccc(C#N)cc3)c3ccccc32)c1 408544391 VVWXXNMOWLWZED-JFLMPSFJSA-N 393.446 5.098 30 40 GKEB Cc1ccc(-c2ccc(/C=N\c3sc4c(c3C#N)CCCC4)o2)c([N+](=O)[O-])c1 409217611 QTHCLSDDGWCVQV-FMCGGJTJSA-N 391.452 5.726 30 40 GKEB C=C1[C@H](C(=O)Nc2cccc3ccccc23)[C@H]1C(=O)Nc1cccc2ccccc12 1462539 NRVBVXXCCOBZLH-ZEQRLZLVSA-N 392.458 5.372 30 40 GKEB O=C(O/N=C(/c1ccccc1)c1cccs1)N(c1ccccc1)c1ccccc1 1705032 ZJNOKVLUHFRMDX-BZZOAKBMSA-N 398.487 6.475 30 40 GKEB O=c1oc2ccccc2cc1-c1ccc(/N=C/C=C/c2ccccc2Cl)cc1 1884406 UAVVTYYLWBWDCD-GUFLCCFCSA-N 385.850 6.529 30 40 GKEB COc1cc(/C=N/c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccccc1 8110823 MLYQGMRIXQHOHM-ZVHZXABRSA-N 394.858 5.117 30 40 GKEB COc1ccc(/C=N/c2nc(-c3ccccc3)c(-c3ccccc3)s2)c(O)c1 19894552 JORHOOBWCJNPMS-BUVRLJJBSA-N 386.476 5.942 30 40 GKEB COc1ccccc1CN/N=C/c1c(OCc2ccccc2)ccc2ccccc12 20763428 VMHVZZWLAFTBEZ-MTDXEUNCSA-N 396.490 5.551 30 40 GKEB CC/C(C)=N\Nc1nc2cc(C)c(NC(=O)c3ccc(F)cc3)c(C)c2s1 72228606 IWXMSUJQRVCNRE-MSXFZWOLSA-N 384.480 5.502 30 40 GKEB CCCCCCCCCCCCCCCCCCNC(=O)Nc1nccs1 104163522 JXXDJYOVWKPFFY-UHFFFAOYSA-N 395.657 7.526 30 40 GKEB Cc1cccc(C)c1-n1c(C)cc(/C=N/Nc2ccc(C(F)(F)F)cn2)c1C 409074410 QYEVOQAWGKPPTR-KBKYJPHKSA-N 386.421 5.571 30 40 GKEB O=C1CCCC2=C1[C@@H](c1ccsc1)CC(=O)N2c1ccc(C(F)(F)F)cc1 1079526 XPMWCWZZJFBEMV-OAHLLOKOSA-N 391.414 5.295 30 40 GKEB O=C1/C(=C/N(C(=O)c2ccco2)c2ccc(Cl)cc2)Sc2ccccc21 1103124 YIJRSDWBIRIQQS-PDGQHHTCSA-N 381.840 5.410 30 40 GKEB aggregator CC[C@H](Oc1ccccc1)C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 2742042 LXQXBWXQJRISQD-KXBFYZLASA-N 396.556 5.567 30 40 GKEB C=C1/C(=C\C=C2/CCC[C@H]3[C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C[C@@H](O)C[C@@H]1O 3825930 YNRMJJMMKPGYHI-HRNNAXOASA-N 386.620 6.200 30 40 GKEB Cc1ccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)N=C2S[C@H](C)C#N)cc1 4462812 JQKFEGYITFLGMZ-OJSPLJLUSA-N 389.524 5.507 30 40 GKEB Cc1ccc(C(=O)/C(=C\c2ccc(C(C)C)cc2)c2nc3ccccc3o2)cc1 4898599 JOLYXZFJPFEAQZ-CJLVFECKSA-N 381.475 6.683 30 40 GKEB CC(C)(C)c1ccc(/C=C2\CCC/C(=C\c3ccc(C(C)(C)C)cc3)C2=O)cc1 5055007 YMZSPONKQSNRRU-DPIBHUQISA-N 386.579 7.502 30 40 GKEB O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1cccc(Cl)c1Cl 5201304 DQDSGENVZVTPRQ-MDWZMJQESA-N 383.687 5.538 30 40 GKEB COc1cc(/C=C2\Cc3ccccc3C2=O)ccc1OCc1ccccc1Cl 6340241 IBLARYMCHHFFLM-XDHOZWIPSA-N 390.866 5.750 30 40 GKEB O=C1/C(=C/c2cccnc2)Oc2cc(OCc3ccc(F)cc3Cl)ccc21 8642976 IKKHPYQPPHUNAQ-ZBKNUEDVSA-N 381.790 5.069 30 40 GKEB CCn1cc(/C=C2/Oc3c(ccc(OCC=C(C)C)c3C)C2=O)c2ccccc21 8764983 KAKMSOCEWQNFNC-OEAKJJBVSA-N 387.479 5.931 30 40 GKEB biogenic Cc1c(/C=N/NCc2ccccc2Cl)c2ccccc2n1Cc1ccccc1 8812005 RECQRVKWIGWVAI-JVWAILMASA-N 387.914 5.775 30 40 GKEB C=CCN1C(=O)/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S 13976523 SKJHALSNYVENCQ-XNTDXEJSSA-N 395.427 5.353 30 40 GKEB CSc1ccc(/C=C2/C[N+](C)(C)C/C(=C\c3ccc(SC)cc3)C2=O)cc1 17197003 JUWJTPALTAZIPS-LRVMPXQBSA-N 396.601 5.257 30 40 GKEB Cc1ccc(NC(=S)N/N=C2/C[C@H](c3ccccc3)Oc3ccccc32)cc1 33959887 NAYAALVSYGLVLV-IVYNLYIOSA-N 387.508 5.210 30 40 GKEB CCCCCCCOc1ccc(C(=O)Nc2cc(-c3ccc(F)cc3)no2)cc1 59691130 OQDXLUNVYVKCQK-UHFFFAOYSA-N 396.462 6.082 30 40 GKEB CC/C(C)=N\Nc1nc2cc(C)c(NC(=O)c3ccc(CC)cc3)c(C)c2s1 72228591 WOZDFKNLAOHYDV-QFEZKATASA-N 394.544 5.926 30 40 GKEB CCCCCCCCCCCCCCCCCc1nc(N)nc(N(C)C)n1 97954034 HCYHXCFZMYCJBC-UHFFFAOYSA-N 377.621 5.934 30 40 GKEB CCCCCCCCS(=O)(=O)N/N=C(\CCCC)c1cc(C)cc(C)c1O 100955155 UXFWVOZAGPSACL-LSDHQDQOSA-N 396.597 5.183 30 40 GKEB C=CCOc1cccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)c1 219840413 LDHVINLZMFWTOR-UHFFFAOYSA-N 393.870 5.736 30 40 GKEB CC(C)Oc1cccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1 408628850 DKZYVWDFGPZXHQ-INIZCTEOSA-N 396.556 5.810 30 40 GKEB CC(C)c1ccc(/C=C2/SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)cc1 408749791 UJHMFEVGXZINJW-RQZCQDPDSA-N 391.323 6.008 30 40 GKEB Cc1cccc(Cn2cc(/C=N/Nc3ccc4ccccc4n3)c3ccccc32)c1 408996680 MLJCZEPXEIWZKV-JVWAILMASA-N 390.490 5.992 30 40 GKEB CC(C)c1nc2cc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)ccc2o1 520336835 XVDZMRHDGHGPHZ-UHFFFAOYSA-N 398.422 5.262 30 40 GKEB COc1ccccc1[C@@H]1C(C(=O)c2ccccc2)=C(C)Nc2nc3ccccc3n21 1080702 PSKAORLAFSLYAZ-HSZRJFAPSA-N 395.462 5.217 30 40 GKEB O=[N+]([O-])c1cc(/C=N/c2ccc3oc(-c4cccnc4)nc3c2)ccc1Cl 1433850 JYWOLILVDTVWQL-LSHDLFTRSA-N 378.775 5.202 30 40 GKEB CCCCCCCCCCC(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C)C2 2751642 NJNWOMYMHKYDBI-HNNXBMFYSA-N 378.582 5.441 30 40 GKEB O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccc3c4c(cccc24)CC3)c1O 3096868 HCDSDSOYILCPMB-UFFVCSGVSA-N 397.228 5.065 30 40 GKEB Cc1ccc(Oc2ncccc2/C=N/OCc2ccc(Cl)cc2Cl)cc1 3105126 SXGGDNPWDSAJCZ-WYMPLXKRSA-N 387.266 6.040 30 40 GKEB OC1=N/C(=N\c2cccc(Br)c2)S/C1=C\c1c[nH]c2ccccc12 6931997 OUMVWNZVRDEBFS-PXNMLYILSA-N 398.285 5.662 30 40 GKEB C=CCOc1c(Cl)cc(CNc2ccc(Br)cc2)cc1OC 6951534 MJZDCDNOPPKUTM-UHFFFAOYSA-N 382.685 5.288 30 40 GKEB Clc1ccc(-c2sc(N/N=C/c3ccccn3)nc2-c2ccccc2)cc1 8381622 XTEPZILEZWBPKU-ZVHZXABRSA-N 390.899 5.972 30 40 GKEB Cc1cc2cc(C#N)c(SCC(=O)Nc3ccc(Cl)cc3)nc2cc1C 34791530 IKNIZNBBBPFWND-UHFFFAOYSA-N 381.888 5.108 30 40 GKEB Cc1ccc(/N=C/c2c(O)c(Br)cc3oc4c(c23)CCCC4)nc1 100146948 WHOLQGFWSUVHTE-LSHDLFTRSA-N 385.261 5.234 30 40 GKEB CCCCCCCCOc1ccc(/C=C2/SC(=O)N(CC)C2=O)cc1OC 109597374 FHCGPFWSJLZXPS-XDJHFCHBSA-N 391.533 5.491 30 40 GKEB CCn1ccc(/C=C2/C[C@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)n1 118916109 ILNJYEIJHGACFY-JBAKOBNASA-N 380.576 5.898 30 40 GKEB C=CCSc1ccccc1C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 219817864 YVNXFJARRWLTHZ-SFHVURJKSA-N 383.513 5.006 30 40 GKEB C=CCOc1c(Br)cc(CNc2cc(C)ccc2C)cc1OCC 409120535 WHIUEGGAXGDQJN-UHFFFAOYSA-N 390.321 5.642 30 40 GKEB COc1cccc(/C=N/c2ccc3oc(-c4ccc(Cl)cc4)nc3c2)c1O 847937 VZSACJFUTLAGNH-FSJBWODESA-N 378.815 5.613 30 40 GKEB CCCOc1ccc(C(=O)/C(=C/c2cccs2)c2nc3ccccc3o2)cc1 5547980 QCXMBTFKHJEHDY-CYVLTUHYSA-N 389.476 6.102 30 40 GKEB C/C(=N\OC(=O)Nc1cccc(C(F)(F)F)c1)c1ccc2ccccc2c1O 5612731 KJEFAYUVUVRTDD-BRJLIKDPSA-N 388.345 5.537 30 40 GKEB CC(C)(C)c1ccc(-c2n[nH]c(=S)n2/N=C/C(Cl)=C\c2ccccc2)cc1 5833497 KULJHHVXYYYLFI-NXUONHHFSA-N 396.947 6.019 30 40 GKEB Cc1ccc(Sc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2[N+](=O)[O-])cc1 6788094 XWUAIFLPDYHDKQ-NTUHNPAUSA-N 389.476 6.259 30 40 GKEB Cc1ccc(C(=O)Oc2ccccc2/C=C2/Oc3ccc(Cl)cc3C2=O)cc1 16806180 JYXIMQBPDCKACB-CIAFOILYSA-N 390.822 5.484 30 40 GKEB C=C(C)Cc1cc([C@@H](CC)[C@@H](CC)c2ccc(O)c(CC(=C)C)c2)ccc1O 17303449 WQKVOILCLLTXIZ-PSWAGMNNSA-N 378.556 7.022 30 40 GKEB FC(F)(F)c1ccnc(-c2ccc(/C=N/OCc3ccc(Cl)cc3)cc2)c1 22996427 HJHSRTAJBSNLTI-RPPGKUMJSA-N 390.792 5.972 30 40 GKEB C=C(CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 34270552 INDVLXYUCBVVKW-VTJNYFSKSA-N 398.675 7.555 30 40 GKEB CCC(C)(C)[C@@H]1CCc2sc3ncnc(N/N=C\c4ccc(O)cc4)c3c2C1 36476350 JYOOGSJNUSSGLU-WWPWHYENSA-N 394.544 5.384 30 40 GKEB O=C(Oc1ccc(/C=N/c2ccccc2)cc1)c1sc2ccccc2c1Cl 59500694 ITHVDOLYCHWTQF-ZVHZXABRSA-N 391.879 6.525 30 40 GKEB C=C1[C@@H]2C[C@@H](C(=C(c3ccccc3)c3ccccc3)[C@H]2c2ccccc2)C1(C)C 68564066 KERZPJNYRQANFB-KLJDGLGGSA-N 376.543 7.504 30 40 GKEB CCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2ccccc2O)cc1 98001388 KNPPLFMOKZELGZ-UHFFFAOYSA-N 382.504 5.724 30 40 GKEB biogenic COc1ccccc1/C=C1/S/C(=N\c2ccccc2)N(c2ccccc2)C1=O 100502440 FDRCOMCBXNHQEH-RERTVAKNSA-N 386.476 5.504 30 40 GKEB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)C#Cc1ccccc1 118915114 LZYLYVQWNIUJNH-GLUAJHGWSA-N 392.583 5.173 30 40 GKEB C=C1CC[C@H]2[C@H](OC)c3cc(C(C)C)ccc3O[C@]2(C)CC[C@@H]2[C@@H]1CC2(C)C 257292543 QMAJVEVCPPJDDG-GUDBEXGGSA-N 382.588 7.057 30 40 GKEB C=C[C@@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccccc3CC)c2C)C1=O 408964195 BURQKDRRSMCLQT-KELUXRKGSA-N 380.513 5.267 30 40 GKEB COc1cc(/C=N\c2ccccc2C)ccc1OCc1ccc(C(=O)O)cc1 408968256 XPRDSLBUTWDYBA-OYKKKHCWSA-N 375.424 5.031 30 40 GKEB Fc1cccc(-c2ccc(/C=N/c3ccc(-c4cc5ccccc5o4)cc3)o2)c1 409012187 JLXLJYIMVXMAMB-JVWAILMASA-N 381.406 7.250 30 40 GKEB Cc1ccc(-c2oc(/N=C/c3ccc(C)o3)c(C#N)c2-c2ccc(C)cc2)cc1 409349557 QUZVVOXKRKDZQV-JFLMPSFJSA-N 380.447 6.754 30 40 GKEB C=C(C)Cn1c(SC(C)C)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 1822711 KVAOLEAOXZYCGQ-UHFFFAOYSA-N 394.584 5.745 30 40 GKEB Cc1cc(C)c2oc(-c3ccc(/N=C/c4cccc([N+](=O)[O-])c4O)cc3)nc2c1 3032347 NLXLQPLLTLITJC-FSJBWODESA-N 387.395 5.476 30 40 GKEB Cc1cc(O)c(/C=N/c2ccc3oc(-c4ccc5ccccc5c4)nc3c2)cc1C 3170318 DWRYECMHIOCQOU-JFLMPSFJSA-N 392.458 6.721 30 40 GKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@H]2c1ccc(Cl)cc1 4044533 GTDAMOQWZBCSDN-JOCHJYFZSA-N 387.910 6.694 30 40 GKEB CC1=C(/C=C\C(C)=N/N=C(C)/C=C\C2=C(C)CCCC2(C)C)C(C)(C)CCC1 17379441 SQYSFXIDGKWUEA-GTJULLIQSA-N 380.620 7.989 30 40 GKEB CCCCCCCOc1ccc(NC(=O)[C@H](C)Oc2ccc(C(C)C)cc2)cc1 97940383 ULISTWRQPPOKIQ-FQEVSTJZSA-N 397.559 6.565 30 40 GKEB F/C(=C\CC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F 103531201 MOLMVKRZPILYLA-IWQZZHSRSA-N 396.093 5.896 30 40 GKEB CCCCCCCCCCCCOc1ccc(/C=N\c2ccc(C)cc2)cc1 104149530 ICXAHLHYIPLYOQ-QYQHSDTDSA-N 379.588 8.045 30 40 GKEB C=CCN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc2ccccc2c1 225051105 RADJVGBAUCRADM-UHFFFAOYSA-N 392.307 5.528 30 40 GKEB CCCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1C#N 225683537 SSOWIDXEZMOXNN-UHFFFAOYSA-N 380.463 5.327 30 40 GKEB Ic1cccc(/N=C\c2ccc(N3CCCCC3)cc2)c1 408961035 QCKIIKGBWLBLBO-ZHZULCJRSA-N 390.268 5.032 30 40 GKEB O=C1c2ccccc2C(=O)N1/N=C/c1ccc(Sc2ccc(Cl)cc2)s1 409021846 BTSQIHRIRFBVDZ-SRZZPIQSSA-N 398.896 5.183 30 40 GKEB CCCCCCN(CCCCCC)C1=C(Cl)C(=O)c2ccccc2C1=O 1697998 XHFSZGDIDZIAEA-UHFFFAOYSA-N 375.940 5.979 30 40 GKEB O=C1C2=C(Nc3ccccc3S[C@@H]2c2ccc([N+](=O)[O-])cc2)c2ccccc21 2200680 DYBGTOGVAYUSGH-JOCHJYFZSA-N 386.432 5.461 30 40 GKEB Cc1ccc2nc(-c3ccc(/N=C/c4ccc(O)c(O)c4O)cc3)sc2c1 3235187 ICUUPIFOFHFNJV-SSDVNMTOSA-N 376.437 5.139 30 40 GKEB CCc1ccc([C@H]2C3=C(CCCC3=O)Nc3c(-c4ccccc4)c(C)nn32)cc1 4736637 AGVGFWUCZCIWPJ-DEOSSOPVSA-N 383.495 5.443 30 40 GKEB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NCc2ccccc2Cl)o1 8811659 HCTSOYSFKFCJSM-AFUMVMLFSA-N 390.874 5.218 30 40 GKEB CCOc1cc(/C=N/NCc2c(Cl)cccc2Cl)ccc1OC(C)C 9197305 VNXMXEKDCSKHDJ-SSDVNMTOSA-N 381.303 5.303 30 40 GKEB C/C(=N\N=C(/C)c1ccc(C(C)(C)C)cc1N)c1ccc(C(C)(C)C)cc1N 15083085 OXIJVUIDYKHELL-DPCVLPDWSA-N 378.564 5.679 30 40 GKEB N#Cc1c(C(F)(F)C(F)(F)F)nc2ccc(Oc3ccccc3)cc2c1N 20064784 DGDDOKUWCDFLSL-UHFFFAOYSA-N 379.288 5.135 30 40 GKEB Oc1c(Br)cc(Br)cc1/C=N/C1CCCCCC1 100331234 KVIHZFBRIGZKDB-RQZCQDPDSA-N 375.104 5.059 30 40 GKEB C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H](OC(=O)c3ccccc3)CC[C@H]12 253530722 RZJSCADWIWNGKI-CUWWELFJSA-N 392.539 5.744 30 40 GKEB biogenic Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2ccc(OC(C)C)cc2)S1 408858048 IPYOUTRRNMIXLL-WQRHYEAKSA-N 386.904 5.327 30 40 GKEB COC(=O)c1ccc(/N=C/c2ccc(-c3ccc(C(=O)O)cc3C)o2)cc1Cl 408962473 SLXFGGFLBNNYHQ-FOKLQQMPSA-N 397.814 5.144 30 40 GKEB Cc1ccc(N=Nc2ccc(N/C=C/C(=O)c3cccc4ccccc34)cc2)cc1 409183872 UJDHNAATTOAOAZ-HOEFDXFSSA-N 391.474 7.372 30 40 GKEB CC[C@H](C)c1ccc(/N=C/c2ccc(-c3ccc(C)cc3Br)o2)cc1 409250848 OGYAFIGGVZIESK-GCMSVZMUSA-N 396.328 7.282 30 40 GKEB Oc1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1-c1nc2ccccc2[nH]1 1433842 DSCOXVLKZAHHHO-AUEPDCJTSA-N 398.249 5.699 30 40 GKEB Oc1ccc2ccccc2c1/C=N/c1ccc(-c2nnc(-c3ccccc3)o2)cc1 2793023 AZRRHDBUVSWYDW-WGOQTCKBSA-N 391.430 6.013 30 40 GKEB CCc1cc2c(cc1/C(C)=N/N=C/c1ccc(O)cc1O)C(C)(C)CCC2(C)C 4670585 WNGSQEPFPWOSIW-JQMRRPHZSA-N 392.543 5.852 30 40 GKEB CC(C)[C@@H](Sc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N)C(=O)O 4852999 SFXNLOPHCQYBNS-OAQYLSRUSA-N 388.492 5.489 30 40 GKEB Cc1cc(/N=C/Nc2ccc(Br)c(C)c2)ccc1Br 5394228 VTCHRRQXAOWJBQ-UHFFFAOYSA-N 382.099 5.600 30 40 GKEB COc1ccccc1CN/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 20761322 VTXMPZYSWWAWEM-ZVHZXABRSA-N 380.875 5.051 30 40 GKEB CC(C)C1=C[C@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@@H]1[C@H](C#N)[C@@H]3C#N 104371874 ASMKAMXVVIUEAB-MEDYVKONSA-N 380.532 5.176 30 40 GKEB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1cccc(F)c1)C2=O 245228951 JPKPGSNREZFIQX-AYDOMQLQSA-N 394.530 5.712 30 40 GKEB C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccccc1F)C2=O 253498422 GEMAOHATSXXMSE-AVLFTBCPSA-N 394.530 5.712 30 40 GKEB C=C(C(F)(F)F)[Sn](C(C)(C)C)(C(C)(C)C)C(C)(C)C 265540599 IXBUKPXDWLBVHC-UHFFFAOYSA-N 385.102 6.493 30 40 GKEB Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1ccc(Cl)cc1Cl 408911694 CFZNKUDOQFXSFH-UHFFFAOYSA-N 396.273 5.864 30 40 GKEB Cc1cccc2c(/C=N/CCNc3cccc4ccccc34)c(C)n(C(C)C)c12 409029473 AFKLYMNLUCNFAX-WPWMEQJKSA-N 383.539 6.523 30 40 GKEB CCN1C(=O)/C(=C\c2cn(C(C)C)c3ccccc23)S/C1=N/c1ccccc1 409156418 FSLXQYVWRPGPAD-IZSQXYTLSA-N 389.524 5.846 30 40 GKEB C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@H]2[C@H]1CC[C@@H]2[C@H](C)CCCC(C)(C)O 3825931 JXLBFUAMWGAZJR-BDCHWYRZSA-N 386.620 6.344 30 40 GKEB N#Cc1c(SCc2ccc(Cl)cc2)nc(-c2cccs2)c2c1CCCC2 4598884 OAKYEYASMUODFK-UHFFFAOYSA-N 396.968 6.506 30 40 GKEB CCCCCOc1ccc(/C=N/n2c(-c3ccc(OC)cc3)n[nH]c2=S)cc1 5825013 IHINMRMEUWBSNH-PXLXIMEGSA-N 396.516 5.067 30 40 GKEB C=CCN1C(=O)S/C(=C/c2ccc(-c3ccc(-c4ccccc4)cc3)o2)C1=O 6295727 AZQBNGYOHQFOOC-RCCKNPSSSA-N 387.460 5.836 30 40 GKEB O/N=C(\c1ccc(Br)cc1)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl 8656026 UXPGXJRXNXZJNI-SGFPKLHMSA-N 385.088 5.738 30 40 GKEB COc1cc(C#N)ccc1Oc1ncnc2cc(-c3ccc(F)cc3)sc12 8728460 WZUVFMITCKRPAL-UHFFFAOYSA-N 377.400 5.170 30 40 GKEB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\Sc3ccccc3C2=O)o1 12371418 CJNARFWTZFZHOB-ODLFYWEKSA-N 379.393 5.193 30 40 GKEB C[C@H]1CCCCN1Cc1c(O)ccc2c1O/C(=C\c1cc3ccccc3o1)C2=O 20647372 BCLDHZFTYVFEKU-PXNCGERRSA-N 389.451 5.129 30 40 GKEB biogenic C(=N/Nc1nc2ccccc2[nH]1)\c1c(OCc2ccccc2)ccc2ccccc12 59417074 YDGDXFQBPBATFN-WGOQTCKBSA-N 392.462 5.741 30 40 GKEB COc1cccc(/C=C/C(=O)c2c(C)nc3ccccc3c2-c2ccccc2)c1 95115936 BRIDRVWSAPQPTA-FOCLMDBBSA-N 379.459 6.115 30 40 GKEB CCC(=O)Nc1ccc(/N=C/c2cccc(OCc3ccccc3Cl)c2)cc1 100384285 DYGQFTKBEJSJAL-MFKUBSTISA-N 392.886 6.018 30 40 GKEB CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](C)CC(=O)N(C)C 104109703 YPGHOOFZSDFRBX-OTDUKCBNSA-N 395.628 6.434 30 40 GKEB CC(C)(O)C#CC[C@@H]1C[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 104832924 FSEWYBKECRKVOT-MKCWBWRRSA-N 396.956 5.003 30 40 GKEB CCN1C(=O)/C(=C\c2c(C)[nH]c3ccccc23)S/C1=N\c1cc(C)ccc1C 408909251 GXLVFIAMQKDOID-RRJMXWIWSA-N 389.524 5.717 30 40 GKEB Cc1sc(NC(=O)c2ccc(Br)cc2)c(C#N)c1-c1ccccc1 2761879 DLZPBCCOUVOFQX-UHFFFAOYSA-N 397.297 5.610 30 40 GKEB CCCCCCCc1c2c(C)c(C(=O)OCC)nc-2cc2n1[C@H](C)C(C)=C2C 3671347 KKMTVJSSINAMEO-GOSISDBHSA-N 382.548 6.354 30 40 GKEB Cc1ccc2c(c1)NC(=C\C(=O)c1ccccc1)/C(=C/C(=O)c1ccccc1)N2 4706745 ODGMZRIQXXTZFU-OZKZUFLSSA-N 380.447 5.366 30 40 GKEB O=C(/C=C/c1ccc(Oc2ccccc2)cc1)c1ccc(Br)cc1 4898698 BGKXKNMOSPRRKN-OVCLIPMQSA-N 379.253 6.138 30 40 GKEB Cc1cc(/C=N/c2ccc(Cl)c(C(=O)O)c2)c(C)n1-c1ccc([N+](=O)[O-])cc1 5336801 WQXAKVJCGFRPNC-SSDVNMTOSA-N 397.818 5.105 30 40 GKEB O=C(/C(=C(/C(=O)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 8652298 BNSSPRIZPRPVAS-OCEACIFDSA-N 388.466 6.363 30 40 GKEB CCCCC[C@H](/C=N/N=C1c2ccccc2-c2ccccc21)Cc1ccccc1 16920989 GMIJPKCLNGTASU-YZMYJVHESA-N 380.535 6.929 30 40 GKEB Oc1ccccc1/C=N/c1ccc2nc(SCc3ccccc3)sc2c1 17125656 ODJHYWOPWSOUPI-LPYMAVHISA-N 376.506 6.045 30 40 GKEB CC(C)=NNc1nc2c(Cl)cc(Br)c(C(F)(F)F)c2s1 57327659 QTSUHXFHSOOGRK-UHFFFAOYSA-N 386.624 5.539 30 40 GKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc4c(c3)COC4)c2C#N)C1 64383404 MSDAFKLPEKXMMV-INIZCTEOSA-N 380.513 5.053 30 40 GKEB CN(C)[C@H](CNc1oc(-c2cccs2)nc1C#N)c1ccc(C(C)(C)C)cc1 96346217 VEMFCJKFYQKBPT-GOSISDBHSA-N 394.544 5.287 30 40 GKEB COc1ccc([C@H](CC/N=C/c2ccccc2O)[C@@H]2CCOC(C)(C)C2)cc1 100340399 MFJRMYNIXYXNOJ-GPEALGBWSA-N 381.516 5.199 30 40 GKEB biogenic FC(F)(F)C1(C(F)(F)F)[C@@H]2CC[C@@]3(CC(F)(F)C(F)(F)S3)[C@@H]1C2 103013718 UHMGZMSZRULRFR-DSYKOEDSSA-N 376.259 5.631 30 40 GKEB CCCCCCCCCCC[C@H](c1ccccc1)[N+](C)(C)Cc1ccccc1 104392433 SGSMZZVXYQWOME-HHHXNRCGSA-N 380.640 7.925 30 40 GKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@@H]2c1ccc([N+](=O)[O-])cc1 1441346 DVIFPBLFBQYOIO-NRFANRHFSA-N 399.450 5.344 30 40 GKEB CCCCCCCc1ccc(-c2ccc(Br)c([N+](=O)[O-])c2)nc1 3108568 RPEKJTRMQDQMQL-UHFFFAOYSA-N 377.282 5.932 30 40 GKEB Cc1cc(N/N=C/c2ccc(Cl)cc2Cl)nc(NCc2ccccc2)n1 4860343 BOZKDGCBYCTNAJ-FSJBWODESA-N 386.286 5.150 30 40 GKEB C=CCn1c(SCc2cccc(F)c2)nnc1[C@H](C)Oc1ccc(C)cc1 13866867 BJORMEIHBJGBKK-INIZCTEOSA-N 383.492 5.344 30 40 GKEB COc1ccc(/C=C2/CCC/C(=C/c3ccc(-c4ccccc4)cc3)C2=O)cc1 33402028 HVKCBNUPZFNZJJ-GJEUYDLNSA-N 380.487 6.582 30 40 GKEB CC(C)=N/N=C1\c2ccccc2C(=O)[C@H]1C(=O)C(c1ccccc1)c1ccccc1 100080607 AGSDZTBXEYDVJT-OSQOMCJFSA-N 394.474 5.085 30 40 GKEB C=CCOc1cccc(NC(=S)N[C@H](c2ccccc2)c2ccc(C)cc2)c1 225511913 BKJUJYDLHWAYIX-HSZRJFAPSA-N 388.536 5.636 30 40 GKEB CCc1ccc(-n2c(C)cc(/C=N\c3cc(C)c(C)c([N+](=O)[O-])c3)c2C)cc1 408758281 IEVHIRBJTWVFAX-OYKKKHCWSA-N 375.472 5.932 30 40 GKEB Cc1ccc(N=C2NC(=O)/C(=C/c3c4ccccc4cc4ccccc34)S2)cc1 408889065 DFDLPMHMISLIOM-HAHDFKILSA-N 394.499 6.193 30 40 GKEB CCCCN1C(=O)/C(=C\c2ccc(C)c(OC)c2)S/C1=N\c1ccc(C)cc1 408908498 FIEXVFNWIMFLEN-NVZLDUMVSA-N 394.540 5.716 30 40 GKEB Cc1ccc(/N=C2\S/C(=C/c3ccccc3O)C(=O)N2C2CCCCC2)cc1 408912860 LZIRTBCMOLOAQQ-NVZLDUMVSA-N 392.524 5.637 30 40 GKEB N#Cc1c(/N=C/c2ccc3c(c2)OCO3)oc(-c2ccccc2)c1-c1ccccc1 826207 XWSQTBLWWQTBPW-JFLMPSFJSA-N 392.414 5.965 30 40 GKEB C(=N/c1ccc(N2CCOCC2)cc1)\c1cn(Cc2ccccc2)c2ccccc12 1085324 FHAVXGAPHHERQB-OVVQPSECSA-N 395.506 5.277 30 40 GKEB Clc1ccc(/C=C/C=N/c2ccc3oc(-c4ccccc4Cl)nc3c2)cc1 2894821 IFDOSXKEZUNPDI-DFJXIDDLSA-N 393.273 7.217 30 40 GKEB CC1=CC(C)=NC2=C(c3ccccc3)SC(=C3C(=O)c4ccccc4C3=O)N12 4263375 CJRVWVCGWXKIJX-UHFFFAOYSA-N 384.460 5.031 30 40 GKEB C=CCn1c(SCc2ccccc2)nnc1-c1ccc(Br)cc1 9145689 QWSVGGBRDLHCMR-UHFFFAOYSA-N 386.318 5.186 30 40 GKEB CCOc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OCc1ccccc1 9234241 ZPEBNEPTPIVKKF-UHFFFAOYSA-N 384.431 5.127 30 40 GKEB CC(=O)N(c1nc(/C=C/C(=O)c2ccc(C)o2)cs1)c1c(C)cccc1C 24836773 KBOFEXJCYGRHGU-MDZDMXLPSA-N 380.469 5.242 30 40 GKEB CCCCCCCCC(=O)Oc1ccc(/N=N/c2ccc(CCCC)cc2)cc1 68568987 NHGDLUVNXOPKDQ-CYYJNZCTSA-N 394.559 8.101 30 40 GKEB CCCCCCCC[C@H]1S[C@@H]1CCCCCCCC(=O)N1CCOCC1 100300034 DPYGHXSTRIZSJD-NHCUHLMSSA-N 383.642 5.811 30 40 GKEB Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1/N=C/c1ccc([N+](=O)[O-])cc1 100524159 YBVQUADAQOLARY-FSJBWODESA-N 391.814 6.115 30 40 GKEB CCCCCCCCCCCCCCCCCCO[C@H]1CCS(=O)(=O)C1 100747836 MVFKZKKZEDBEOF-QFIPXVFZSA-N 388.658 6.452 30 40 GKEB CC(=O)O[C@H]1CC[C@H]2[C@@H]3C[C@@H](C(F)(F)F)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 118930610 UJAUIJIBACQMCG-UKSDXMLSSA-N 398.465 5.238 30 40 GKEB CC1(C)[C@H]2CC[C@]1(C)C(=O)/C2=C\[C@H](Cc1ccccc1)C(=O)Oc1ccccc1 245240882 UTUGYCPSXHQSSU-ZCGKHYAMSA-N 388.507 5.403 30 40 GKEB COc1ccc(/N=C\c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1Cl 408802870 IOSYKYMBZRWPSB-OYKKKHCWSA-N 394.858 5.117 30 40 GKEB CC[C@H](C)N1C(=O)/C(=C\c2ccc(OC)cc2C)S/C1=N\c1ccc(C)cc1 408913522 MUMWDRNNMJFOMF-ZEGZONJGSA-N 394.540 5.715 30 40 GKEB F[C@H](C(F)(F)F)C(F)(F)OCCCC(F)(F)C(F)(F)C(F)(F)F 1565659619 CTXVGPWIGPSGAM-SCSAIBSYSA-N 378.128 5.109 30 40 GKEB COc1ccc(Br)cc1/C=N/c1c(-c2ccco2)nc2ccccn12 1105977 QPTWHSMJFJMJIK-CIAFOILYSA-N 396.244 5.116 30 40 GKEB Cc1ccc(CSc2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)cc1 1912924 YCVIPXFQMAGEOH-UHFFFAOYSA-N 392.527 6.888 30 40 GKEB C=CC[n+]1c(-c2ccc(Br)cc2)csc1Nc1ccc(C)cc1 2676578 BMHAAUBGOJEXFJ-UHFFFAOYSA-O 386.338 5.703 30 40 GKEB N#Cc1ccc(-c2ccc(Cl)c(Cl)c2)n(Cc2ccccc2Cl)c1=O 3128254 HQHWLKWDTIGLBV-UHFFFAOYSA-N 389.669 5.395 30 40 GKEB CCCC/N=C1/Sc2nc3cc(C)c(C)cc3cc2CN1Cc1cccs1 4858990 DWRJFPHIHQMYPY-GHVJWSGMSA-N 395.597 6.177 30 40 GKEB O=C(O/N=C/c1cc2ccccc2nc1SCc1ccc(Cl)cc1)C1CC1 5904467 FJVQTBWTVDMQAV-FSJBWODESA-N 396.899 5.468 30 40 GKEB Cc1ccc(Cl)cc1-c1ccc(/C=N\c2ccc(N3CCOCC3)cc2)o1 15938963 SCIAMNQLJKDEMQ-IWIPYMOSSA-N 380.875 5.496 30 40 GKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(/N=C/c3ccccc3C)cc1)N2 253563721 FTINJCLLUCBYNR-ABRLSNCNSA-N 378.519 6.881 30 40 GKEB COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)cc1OC 408907262 AIABUOZEHBNNJA-DYEBMTOPSA-N 396.512 5.025 30 40 GKEB Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1/N=C/c1ccc(Cl)cc1Cl 408978141 YIUADMLAJKGWIX-UFFVCSGVSA-N 389.242 5.455 30 40 GKEB Cc1ccc(COc2ccc3ccccc3c2/C=N/c2ccc(C)c(Cl)c2)cc1 409199949 FZIMRYWFPMSIDK-LQKURTRISA-N 399.921 7.440 30 40 GKEB N#Cc1c(/N=C/c2ccc([N+](=O)[O-])cc2)oc(-c2ccccc2)c1-c1ccccc1 1952341 IKQZCHVMMIOODJ-WGOQTCKBSA-N 393.402 6.144 30 40 GKEB CCOc1ccc(C(=O)CC[C@H]2CCC(c3ccc(OCC)cc3)=CC2=O)cc1 3195459 BGFRADOFOSVVHD-HXUWFJFHSA-N 392.495 5.510 30 40 GKEB CCCCC(=O)C1=C(Nc2ccc3ccccc3c2)C[C@@H](c2ccccc2)CC1=O 4406336 YCEPSSZBPMWNCO-JOCHJYFZSA-N 397.518 6.412 30 40 GKEB Oc1ccc(/N=N/c2cccc(Cl)c2)cc1/C=N/c1cc(Cl)ccc1O 4596668 ROVWWTOOFWGQGV-YRDALPOASA-N 386.238 6.571 30 40 GKEB COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3c2ccc2ncccc32)cc1 4710548 VAEWZBUYISPXMC-QFIPXVFZSA-N 384.479 5.444 30 40 GKEB CCCC[C@@H]1S/C(=N/N=C/c2ccc(C)cc2)N(Cc2ccccc2)C1=O 4899219 NGSNJSSGLRAOBF-IQZBWDKASA-N 379.529 5.019 30 40 GKEB COc1ccc([C@H]2C[C@H]2/C(=N/OC(=O)c2ccc(C)cc2)c2ccccc2)cc1 5540825 JAWNGGCVNXIWKM-HPLNABNRSA-N 385.463 5.368 30 40 GKEB O=C1N/C(=N/c2ccc(Cl)c(Cl)c2)S/C1=C\c1ccc(Cl)cc1 5551038 NKBFVZSMDNZQQC-AUWJEWJLSA-N 383.687 5.538 30 40 GKEB COc1cc(/C=N/Nc2ccnc3cc(Cl)ccc23)ccc1OCCC(C)C 6245519 BYIUEYZUTGJAIG-AFUMVMLFSA-N 397.906 5.768 30 40 GKEB Clc1cccc(Cl)c1CN/N=C/c1cccc(OCc2ccccc2)c1 9196140 HHLGURODOOKGRP-ZMOGYAJESA-N 385.294 5.696 30 40 GKEB CCCCCCCCNc1ncnc2c1sc1nc3c(cc12)COC(C)(C)C3 97952303 RTCSIKXDALCTLY-UHFFFAOYSA-N 398.576 5.863 30 40 GKEB Oc1ccc(Br)cc1/C=N/CC12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 102433436 URIAUAWDUKLXLK-QELILTGPSA-N 382.729 5.151 30 40 GKEB CCCCCCCCCCCCCCCCCC1=NCC[N+]1(CC)CCCC 104345568 GUWJCLXVWAYYDO-UHFFFAOYSA-N 393.724 8.297 30 40 GKEB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)c(C#N)c1 225682207 MCEHGKMNAYZHQF-MRXNPFEDSA-N 380.463 5.325 30 40 GKEB Cc1cc(/C=N\OCc2ccccc2C#N)c(C)n1-c1ccc(Cl)c(Cl)c1 408594668 URVDYLJTKINIHE-ROTLSHHCSA-N 398.293 5.823 30 40 GKEB COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)c2ccccc12 408912392 QBVXFZIQDCSDOR-NFEGURHZSA-N 388.492 5.391 30 40 GKEB CC(C)(C)c1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(C(C)(C)C)c1O 408931071 GSYZCZBHWXQTTA-YZSQISJMSA-N 394.559 5.574 30 40 GKEB C=CCOc1ccc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)cc1OCC 409120788 UBKFRQJKLUSPOX-ZHZULCJRSA-N 377.484 5.193 30 40 GKEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccc(F)cc1)Nc1ccccc1N2 710791 GAYJOKKVLXARKJ-WNSKOXEYSA-N 390.483 5.867 30 40 GKEB C=CCSc1nc2c(c(=O)n1CC(=C)C)C1(CCCC1)Cc1ccccc1-2 2361967 WRIWQWZKCIDTPW-UHFFFAOYSA-N 378.541 5.132 30 40 GKEB biogenic O=C(/C=C/c1ccc(-c2c(Cl)cccc2Cl)o1)c1ccc(Cl)cc1 4537202 AWPDUBJSFFASPU-CSKARUKUSA-N 377.654 6.803 30 40 GKEB O=C1/C(=C\c2ccccc2Cl)S/C(=N\c2ccccc2)N1c1ccccc1 4595455 WFJWVZZIJGJNSK-ADGFTTEDSA-N 390.895 6.149 30 40 GKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(C(F)(F)F)cc1 4817155 KGIANOGIIUBHBP-HXUWFJFHSA-N 386.417 5.927 30 40 GKEB Cc1ccc(N[P@@+](c2ccncc2)(N2CCCC2)C(C)(C)C)cc1Cl 5614494 VZMMYHRUNPTZHO-VWLOTQADSA-N 376.892 5.523 30 40 GKEB N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc2c1CCCC2 15228021 ZZBDKAXYSBPGTP-UHFFFAOYSA-N 384.504 5.841 30 40 GKEB O=C1CCCC2=C1[C@H](c1c(Cl)cccc1Cl)c1cc3c(cc1N2)OCO3 18196713 HTVHGQHWECTRCU-SFHVURJKSA-N 388.250 5.287 30 40 GKEB COc1ccccc1CN/N=C/c1ccc(OCc2cccc3ccccc23)cc1 20761341 JNLIYMJQYAXPGE-WPWMEQJKSA-N 396.490 5.551 30 40 GKEB CCCCCCCC1CCC(c2ccc(C(=O)COC(=O)CCC)cc2)CC1 100499363 CLFJQJHKNYTVCY-UHFFFAOYSA-N 386.576 6.847 30 40 GKEB C=CCn1/c(=N\C(=O)Cc2ccccc2Cl)sc2cc(C(C)C)ccc21 100875972 LJDDCHGHEHEWTK-XTQSDGFTSA-N 384.932 5.336 30 40 GKEB COc1ccc2c(c1)C(=O)/C(=N/Nc1nc3c(ccc4ccccc43)s1)S2 102131522 WHLRXASFQCMNKJ-QOCHGBHMSA-N 391.477 5.172 30 40 GKEB CC(C)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1C#N 225751053 GIQATYQKKMBLGG-UHFFFAOYSA-N 382.891 5.449 30 40 GKEB C=CCOc1cccc(NC(=O)CSCc2c(Cl)cccc2Cl)c1 408579321 ZZILPZAJMARSHW-UHFFFAOYSA-N 382.312 5.430 30 40 GKEB CCc1ccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 408628849 DJHUYRWORWBOLR-MRXNPFEDSA-N 396.556 5.351 30 40 GKEB N#Cc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccc3c4c(cccc14)CC3)[C@H]1CC=C[C@@H]21 408754121 IOSJXXGMYREQJY-KNOQFWTLSA-N 393.446 5.545 30 40 GKEB CC(C)COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)cc1 408906316 IHUJTZBLJHUHLS-NFEGURHZSA-N 394.540 5.734 30 40 GKEB CCOCCN1C(=O)/C(=C/c2ccc(C(C)C)cc2)S/C1=N/c1ccccc1 408929965 QDXUSEVEBRDHDF-RDHMHZQQSA-N 394.540 5.451 30 40 GKEB C=CCc1cc(CNc2ccccc2CC)cc(OC)c1OCc1ccccc1 409119092 QNENSKSAXNBBDK-UHFFFAOYSA-N 387.523 6.177 30 40 GKEB CC[C@H](C)Oc1c(Cl)cc(/C=N/c2cccc(Br)c2)cc1OC 409382284 MNTJYSRJKAEPMQ-OVMKCGGTSA-N 396.712 6.039 30 40 GKEB C[C@@H]1CCc2c(sc(NC(=O)CSc3nc4ccccc4s3)c2C#N)C1 873391 SDNQKJHTVYZODT-LLVKDONJSA-N 399.566 5.085 30 40 GKEB COc1cc2c(cc1/N=C/c1cc(Br)ccc1O)oc1ccccc12 1099813 BPWOIDNTXCBGOT-SSDVNMTOSA-N 396.240 5.813 30 40 GKEB CN(C)/C=C(/C(=O)c1ccccc1)n1nc(-c2ccccc2)cc1-c1ccccc1 1638205 AUNHDDKRLIDOBH-PLRJNAJWSA-N 393.490 5.460 30 40 GKEB COc1ccc(-c2nc3ccccn3c2/N=C\c2ccc(Cl)cc2Cl)cc1 4567997 KKMYAGCDXPHZSS-CFRMEGHHSA-N 396.277 6.067 30 40 GKEB Fc1ccccc1/C=N/Nc1nc(-c2ccc(Cl)cc2)nc2ccccc12 4828777 BWFJILOSEIKYSX-ZMOGYAJESA-N 376.822 5.535 30 40 GKEB FC(F)(F)c1ccc(Cl)c(N/N=C/c2cccc(Oc3ccccc3)c2)c1 6982536 OXGGZCVSZUKHNW-DHRITJCHSA-N 390.792 6.597 30 40 GKEB N#CCSc1nc2nc(-c3ccc4ccccc4c3)cc(-c3ccccc3)n2n1 13637438 GXIIZUCRKIULFR-UHFFFAOYSA-N 393.475 5.227 30 40 GKEB COc1cc2c(cc1OC)[C@@H](c1ccc(C(C)C)cc1)C1=C(CCCC1=O)N2 18197206 VSLXGABPRQSZIQ-HSZRJFAPSA-N 377.484 5.392 30 40 GKEB O=C(/C=C\c1c2ccccc2cc2ccccc12)c1ccc(Br)cc1 33374030 RGDZKKSHJCIXGN-YPKPFQOOSA-N 387.276 6.652 30 40 GKEB CCCCCCCCOC(=O)c1c(N)n([C@@H](C)CC)c2nc3ccccc3nc12 97998519 FFRZEFYWIIISFV-INIZCTEOSA-N 396.535 5.655 30 40 GKEB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(O)C#Cc1ccccc1 118915134 LZYLYVQWNIUJNH-KAGRPROJSA-N 392.583 5.173 30 40 GKEB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=S)Nc3ccc(CC#N)cc3)cc2)C1 225668778 QAEAVLIAYRBSER-QZTJIDSGSA-N 392.572 5.037 30 40 GKEB CC(=O)Nc1ccc(/N=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@H]3C)cc1 260569520 QSAHNYHIDIZZIV-GTPWMTBTSA-N 391.559 6.205 30 40 GKEB C#CCOc1ccc2ccccc2c1CNc1ccc(Br)cc1C 408605356 GRVVXCVBQRBKLR-UHFFFAOYSA-N 380.285 5.535 30 40 GKEB Cc1cc(/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)ccc1F 408737174 ABGTZVKLJLYKRE-FSJBWODESA-N 385.280 6.055 30 40 GKEB CCN1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2)SC1=Nc1ccccc1 408962524 YWPAPEPAUQSBMT-LJUQQBLGSA-N 391.540 5.301 30 40 GKEB CCOc1ccc(/N=C\c2cccc(OCc3cccc4ccccc34)c2)cc1 409217593 QKPZDGLTTGCNKP-IMRQLAEWSA-N 381.475 6.568 30 40 GKEB CC1(C)CC(=O)C2=C(C1)[C@@H](c1cccc([N+](=O)[O-])c1)Nc1ccc3ccccc3c12 677601 SHTYSHOXAUNRQQ-XMMPIXPASA-N 398.462 6.058 30 40 GKEB COc1cc(/C=N/c2cc(C(F)(F)F)ccc2Oc2ccccc2)ccc1O 1436296 DPBHVUDFPSRJGR-DHRITJCHSA-N 387.357 5.963 30 40 GKEB Cc1ccc(CSc2nc(-c3ccc(C)cc3)c3c(c2C#N)CCCC3)cc1 2256933 BVPSVGANNBSQIK-UHFFFAOYSA-N 384.548 6.408 30 40 GKEB C#CCOc1ccc(-c2nnc(Nc3ccc(Cl)cc3)c3ccccc23)cc1 2376303 FMJAMRJKJXRYRX-UHFFFAOYSA-N 385.854 5.706 30 40 GKEB Clc1cc(Cl)c(NN=C2CCCCCCCCCCC2)c(Cl)c1 5713136 PFYXMYCPXCKHQG-UHFFFAOYSA-N 375.771 7.719 30 40 GKEB O=C1c2ccccc2-c2ccc(/N=C/c3c4ccccc4cc4ccccc34)cc21 5777171 YDDKLNGDRGAWTQ-STBIYBPSSA-N 383.450 6.955 30 40 GKEB Oc1ccc(/N=N/c2ccccc2)cc1/C=N/N=C1\C[C@@H](c2ccccc2)N=N1 6283006 WFZXSWGTGMEMMZ-WZVZEWKISA-N 382.427 6.137 30 40 GKEB CCCCC(=O)Nc1cccc(/N=C/c2cc(Br)ccc2O)c1 6396826 NPJQWZQFQAIAEJ-UDWIEESQSA-N 375.266 5.034 30 40 GKEB CSc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)cc1 6820417 KGFOCYOQBRGEIA-YOEHRIQHSA-N 397.927 5.066 30 40 GKEB CCOc1cc(/C=N/c2ccccc2C)ccc1OCc1ccc(Cl)cc1 6961286 IYMZXSPTJIYWDK-MFKUBSTISA-N 379.887 6.377 30 40 GKEB CCOc1cc(/C=N/c2ccc(OC)cc2)ccc1OCc1ccccc1Cl 6961578 XEZONFXFGYWXAC-MFKUBSTISA-N 395.886 6.077 30 40 GKEB COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1 7939539 WYBAFXHPJVOHQE-GIDUJCDVSA-N 389.407 5.079 30 40 GKEB Cc1nn2c3ccccc3n(C)c2c1C(=O)/C=C/c1c(Cl)cccc1Cl 8337851 MQBXCHZASLNGPF-ZHACJKMWSA-N 384.266 5.337 30 40 GKEB Cc1ccc(C)c(/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)c1 8368035 YAKWHTGLTNFFLL-ZMOGYAJESA-N 394.858 6.195 30 40 GKEB O=C1/C(=C/c2ccc(Cl)cc2)Oc2cc(OC/C=C/c3ccccc3)ccc21 8990397 GCPBWELYZBFXPO-MOURARDWSA-N 388.850 6.048 30 40 GKEB N#Cc1ccsc1NC(=O)CSc1nc2ccccc2n1C1CCCCC1 9375925 KXKTXVIYVHFWHX-UHFFFAOYSA-N 396.541 5.205 30 40 GKEB Brc1cccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 20242202 NUDPGDFQXPQYPY-MFKUBSTISA-N 394.356 6.668 30 40 GKEB C=CCOc1ccccc1/C=C1/SC(=S)N(c2ccc(CC)cc2)C1=O 35039146 BQXIFVXADYRXMG-XMHGGMMESA-N 381.522 5.220 30 40 GKEB O=C(/C=C/Nc1ccc(Br)cc1)c1cc(Cl)sc1Cl 100392507 DGYAELYGPDVABV-AATRIKPKSA-N 377.090 5.626 30 40 GKEB CCCCCCCOC(=O)c1cc(-c2ccc(C)cc2)nc2c(Cl)cccc12 102079627 ULYMBUCRPNJLNV-UHFFFAOYSA-N 395.930 6.991 30 40 GKEB O=C1NC(=Nc2cc(Cl)ccc2Cl)S/C1=C/c1ccccc1Cl 408750018 WGMJMFJORFTKGH-VGOFMYFVSA-N 383.687 5.538 30 40 GKEB Clc1ccc(/N=C\c2cc(Br)c(Br)o2)c(Cl)c1 408857638 VMLXAOKQJBAIDI-BNCCVWRVSA-N 397.881 5.862 30 40 GKEB C=C(C)[C@H]1C[C@H](c2ccccc2C)[C@H](C)O[C@@H]1c1cccc(F)c1OCC(=O)O 2037875468 QYWVRKLZOCWHSL-YLTWVVNKSA-N 398.474 5.424 30 40 GKEB N#Cc1c(/N=C/c2cc(Cl)cc(Br)c2O)sc2c1CCCC2 974416 QMMOOTDNFYJRTH-DNTJNYDQSA-N 395.709 5.371 30 40 GKEB C=C[C@H](C)c1cc(Cl)c(C)c(Cl)c1OC(=O)c1ccc([N+](=O)[O-])cc1 1657228 ROEFQJMTTQIFFO-JTQLQIEISA-N 380.227 5.719 30 40 GKEB CC(C)c1cc(Nc2ccc(Cl)c(Cl)c2)n2c(nc3ccccc32)c1C#N 5051374 CFSMNSJMOLODHD-UHFFFAOYSA-N 395.293 6.533 30 40 GKEB Clc1ccc(CO/N=C/c2cccnc2Sc2ccccc2)c(Cl)c1 5485951 LHVNIODOQFRJJR-FSJBWODESA-N 389.307 6.090 30 40 GKEB COC(=O)c1cc(-c2ccc(/C=C3\Sc4ccccc4C3=O)o2)ccc1Cl 12417750 RKZHFENLUOCLLN-ODLFYWEKSA-N 396.851 5.716 30 40 GKEB CCN(CC)CCN(/C(=N\c1ccccc1)N1CCCCC1)c1ccccc1 17255438 LKPUWIZUBWPXIH-IZHYLOQSSA-N 378.564 5.008 30 40 GKEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2)cc1 18123015 LVFBSAHSTUIEHZ-NIYFSFCBSA-N 396.490 5.675 30 40 GKEB Cc1ccc(OCc2ccc(-c3nc(C#N)c(N4CCC[C@@H](C)C4)o3)o2)cc1C 33027150 OVMBMNYEYLMRES-OAHLLOKOSA-N 391.471 5.238 30 40 GKEB CCOc1ccccc1/C=N/Nc1nc(-c2ccccc2)c2cc(C)ccc2n1 46085276 YTXPSEIUPLVGKN-PCLIKHOPSA-N 382.467 5.450 30 40 GKEB CC(C)CC(=O)C1=C(N)[C@@H]2C(c3ccccc3)=CC(c3ccccc3)=N[C@@H]2S1 95117474 OTSZEYQCHPHPKW-XUZZJYLKSA-N 388.536 5.048 30 40 GKEB CCCCCCCCCCCNc1cc(C)nc2c(-c3ccccc3)c(C)nn12 98048083 LFGLBICIDNLQQF-UHFFFAOYSA-N 392.591 6.956 30 40 GKEB O=C(/C=C\Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)cc1 100661956 LHTFXOBLFBUHPY-WAYWQWQTSA-N 393.714 6.186 30 40 GKEB CC1(C)[C@@H]2C[C@@H]1CC=C2/C=N/NC(=S)Nc1ccc(SC(F)F)cc1 103207411 PXUAVPICMYRWHS-GRNKCENMSA-N 381.517 5.266 30 40 GKEB N#Cc1cc(N)c(Cc2cccc(Cl)c2)n1Cc1ccc(Cl)cc1Cl 225856637 VAHBTCHOGYYRSR-UHFFFAOYSA-N 390.701 5.541 30 40 GKEB C=C(C)COc1nc(-c2ccccc2)cc(C)c1S(=O)(=O)c1ccccc1C 1397525 VMWPZPHQXLYHKT-UHFFFAOYSA-N 393.508 5.153 30 40 GKEB O=C(C/C=N/OCc1ccc(Cl)cc1Cl)c1cc(-c2ccccc2)no1 4084980 UXIGGBLXRSGGCW-LSFURLLWSA-N 389.238 5.424 30 40 GKEB Oc1ccc(/N=N/c2cccc(Cl)c2)cc1/C=N/c1cccc2ccccc12 4548473 PFCASCOSTZVEME-RVTFTXCGSA-N 385.854 7.365 30 40 GKEB CCCC[C@@H]1S/C(=N/N=C/c2ccc(C)cc2)N(Cc2ccc(F)cc2)C1=O 4898414 MZEUQPDYXQTRDH-HHKSSKBBSA-N 397.519 5.158 30 40 GKEB O/N=C(\c1ccc(Br)cc1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl 5671472 UXPGXJRXNXZJNI-FUGRWSRWSA-N 385.088 5.738 30 40 GKEB O=C(/C=C/c1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(O)cc1 6338499 IVSYWRJGVPHONJ-MDWZMJQESA-N 377.827 5.194 30 40 GKEB CC[C@@H](C)c1ccccc1/N=C/c1cc(Cc2ccccc2)cc([N+](=O)[O-])c1O 6440241 FRLLGZOBVPGYLQ-GZPJKGAFSA-N 388.467 6.155 30 40 GKEB CCOc1cc(/C=N/c2cccc(Cl)c2C)cc(Br)c1OCC 6959603 HEFBLKFVVOJWRU-SRZZPIQSSA-N 396.712 5.959 30 40 GKEB CCc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 8085018 MDQITLGTACNUOB-HZHRSRAPSA-N 399.899 5.421 30 40 GKEB CCCCCOc1ccccc1/C=N/Nc1nc(-c2ccc(Cl)cc2)cs1 11992241 DKDJFGLQMGDASW-OEAKJJBVSA-N 399.947 6.479 30 40 GKEB CCCCCCCCCCCCNC(=O)c1sc2ccccc2c1Cl 97942933 GOKJCJZOHXKLST-UHFFFAOYSA-N 379.997 7.205 30 40 GKEB CCc1ccc(-c2nc3ccc(/N=C/c4c(O)ccc5ccccc45)cc3o2)cc1 98086894 FWLCVYGAFJONBP-JVWAILMASA-N 392.458 6.667 30 40 GKEB C[C@@H](NC(=O)c1ccccc1N/C=C1\C(=O)C=Cc2ccccc21)c1ccccc1 100477395 YUGODMKHHCZZOI-CNGOPUHISA-N 394.474 5.227 30 40 GKEB C/C(CC(=O)c1ccccc1)=N/CCCCC/N=C(\C)CC(=O)c1ccccc1 101811620 FNNLPTYQRNVYRT-QRNPONQASA-N 390.527 5.625 30 40 GKEB C=CCNC(=O)c1ccc(OCC)c(COc2ccc(-c3ccccc3)cc2)c1 224551087 BJOBXPARXWJICG-UHFFFAOYSA-N 387.479 5.247 30 40 GKEB Cc1cccc(COc2ccc(-c3c(-c4ccccc4)c[nH]c(=N)c3C#N)cc2)c1 408979525 MPOZAGNKASFHKF-UHFFFAOYSA-N 391.474 5.587 30 40 GKEB CCN1C(=O)/C(=C\c2ccc(OC(C)C)cc2)S/C1=N/c1ccc(F)cc1 409254306 WRUWUMFKVVOWKH-TZIVZOBOSA-N 384.476 5.237 30 40 GKEB CCn1cc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)c2ccccc21 409369731 FNCUULHQPQJSGH-VULFUBBASA-N 395.418 6.396 30 40 GKEB Cc1ccccc1/N=C1/NC(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)S1 5376578 JXRWGXZWWRDOPG-XDHOZWIPSA-N 394.883 5.800 30 40 GKEB Cc1ccc(C(=O)OCc2c(C#N)oc3ccc(Br)cc23)cc1C 6051821 FCACATMWAJLWIP-UHFFFAOYSA-N 384.229 5.041 30 40 GKEB CCCOc1c(Br)cc(/C=N/c2ccc(CC)cc2)cc1OC 6880621 WPALXNRTJQZWNW-FYJGNVAPSA-N 376.294 5.560 30 40 GKEB N#CCSc1ccccc1C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 7778303 URVHUHVRYLYRNT-OAQYLSRUSA-N 392.911 5.475 30 40 GKEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cccc2ccccc12 20633271 UJHIMNZDCFYXHP-HSZRJFAPSA-N 395.462 5.208 30 40 GKEB Brc1ccccc1N/N=C(\C=C\c1ccccc1)c1ccccc1 38321411 ZHGFVRLNWNOACK-RKQLCQROSA-N 377.285 5.979 30 40 GKEB CCCCCCCCCCCCCCCCC#CC#Cc1cccc(C(=O)O)c1 59333707 PZWVSBHYAZLYAZ-UHFFFAOYSA-N 394.599 7.611 30 40 GKEB Cc1cc(/C=N/c2ccccc2C(C)C)c(C)n1-c1ccc(Br)cc1 408773683 WJUALALUQYIZLR-ZVHZXABRSA-N 395.344 6.731 30 40 GKEB COc1cc(/C=N/c2oc(C)c(C)c2C#N)ccc1OCc1ccc(Cl)cc1 408918674 NOUNTYIJOJPSHL-BRJLIKDPSA-N 394.858 5.760 30 40 GKEB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)C(=C3Nc4ccccc4N3)C[C@@H]12 1889191928 LSAJYPFOWSXELJ-UHZDCHJWSA-N 390.571 6.347 30 40 GKEB CCn1c(C)nc2cc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)ccc21 1894721 RBBZVTKWXLDSGB-UHFFFAOYSA-N 378.238 5.289 30 40 GKEB C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\c1cccc(F)c1 4651568 UJLUQXYREFDZQR-HABTXOPUSA-N 390.502 5.863 30 40 GKEB N#C[C@H]1S[C@H](C#N)[C@H](c2ccc(Cl)cc2)O[C@H]1c1ccc(Cl)cc1 5495896 IHIYKSDCXKJPOG-BDXSIMOUSA-N 375.280 5.324 30 40 GKEB Clc1ccc(COc2ccccc2/C=N/Nc2nc3ccccc3s2)cc1 5770508 OJTORVJBEHYOSA-YDZHTSKRSA-N 393.899 5.975 30 40 GKEB Cc1ccccc1/N=C/c1ccc(OCc2ccccc2)c(Br)c1 8570865 YVDXWUIRJGOMIB-OEAKJJBVSA-N 380.285 6.087 30 40 GKEB CCN(CC)c1ccc(/N=C2\C(C)=Nn3c2nc2ccc(Cl)cc23)c(C)c1 16678175 UGWKBHLZWLXDAW-BSYVCWPDSA-N 379.895 5.203 30 40 GKEB O=C1/C(=C\c2csc(-c3ccco3)n2)CCc2nc(-c3ccccc3)sc21 96298194 WKJZZMTYRVCTBY-KAMYIIQDSA-N 390.489 5.739 30 40 GKEB CC/N=C1\S/C(=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)C(=O)N1CC 223555538 JJMRYIZKEBEJAI-ASFKSJPFSA-N 399.604 5.499 30 40 GKEB Cc1ccc(/N=C/c2ccc(OCc3ccc(C(=O)O)cc3)cc2)cc1Cl 409213432 VBVPNJIKTIUVNV-ZMOGYAJESA-N 379.843 5.676 30 40 GKEB C=C(C)Cn1c(SC(C)C)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 1817382 KTAVYRNYCGIPAW-UHFFFAOYSA-N 380.557 5.355 30 40 GKEB biogenic Cc1cccc(C)c1NC(=O)CSc1nc2ccc(C(C)C)cc2cc1C#N 4848978 SSRYEINIFSQHFD-UHFFFAOYSA-N 389.524 5.578 30 40 GKEB N#C[C@@H]1S[C@H](C#N)[C@H](c2ccc(Cl)cc2)O[C@@H]1c1ccc(Cl)cc1 5495893 IHIYKSDCXKJPOG-FZDBZEDMSA-N 375.280 5.324 30 40 GKEB COc1ccccc1/N=c1\scc(-c2ccccc2)n1/N=C(\C)c1ccco1 6312689 CQTSBRVAXOMXHD-HGQKLARCSA-N 389.480 5.323 30 40 GKEB Oc1c(Cl)cc(Br)cc1/C=N/c1cccc(C(F)(F)F)c1 6321426 DJEGPNKRLSWTHX-IFRROFPPSA-N 378.575 5.578 30 40 GKEB Cc1ccc([C@@H](C)C2=C(c3c(N)ccc4ccccc34)CC(C)(C)CC2=O)cc1 6546554 AVVRBCNVADNXFH-GOSISDBHSA-N 383.535 6.677 30 40 GKEB Cc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccccc3)c(Cl)c2)c(C)c1 8368676 ZLOGEYFCNKWHKN-OEAKJJBVSA-N 399.899 5.475 30 40 GKEB Clc1ccc(-c2ccc(/C=N\Nc3nc4ccccc4s3)o2)cc1Cl 16545403 YDBBOFRBATYFAV-FBHDLOMBSA-N 388.279 6.309 30 40 GKEB CCCCCCCOc1cccc(NCc2ccccc2OCCOCC)c1 100039139 HERLBHGYKSRISZ-UHFFFAOYSA-N 385.548 6.063 30 40 GKEB O=C(/C=C(/c1ccccc1)[C@@H]1[C@@H](c2ccccc2)[C@H]2C=C[C@H]1C2)c1ccccc1 104146772 LBHWEQWBWMJLLL-ZKBWOAFCSA-N 376.499 6.559 30 40 GKEB CCN1c2cc(C)c(/C=N\Nc3ccc(C(=O)O)cc3)cc2[C@H](C)CC1(C)C 208317037 JXVNSACVOUZEET-DNPFKWNUSA-N 379.504 5.251 30 40 GKEB Cc1cc(/C=N/c2ccc(-c3ccccc3)cc2)c(C)n1-c1ccc(Cl)cc1 408738148 QPKLYCLJAABRBL-WPWMEQJKSA-N 384.910 7.165 30 40 GKEB Cc1ccccc1N=C1NC(=O)/C(=C/c2cc(C)n(-c3ccccc3)c2C)S1 408771760 IQONYLYHZOOHGC-STZFKDTASA-N 387.508 5.294 30 40 GKEB CCCN1C(=O)/C(=C\c2ccccc2OCC(C)C)S/C1=N\c1ccccc1 408916367 WSHIAGDVFOUQQO-NVZLDUMVSA-N 394.540 5.735 30 40 GKEB Cc1ccc(N2C(=O)C(O)=C(C(=O)/C=C/c3ccccc3)[C@H]2c2ccccc2)cc1 721230 AEASYVZYAQJXBT-CQLKWFSRSA-N 395.458 5.178 30 40 GKEB CCN(CC)c1ccc([C@H]2C3=C(CCCC3=O)Nc3ccc4ncccc4c32)cc1 1441349 KUROJJZWNBRSBA-XMMPIXPASA-N 397.522 5.646 30 40 GKEB CCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cccc(C)c1)C2=O 3196324 OVJVMRZBYBGNBP-UHFFFAOYSA-N 393.483 5.313 30 40 GKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc(C(F)(F)F)cc1 4817154 KGIANOGIIUBHBP-FQEVSTJZSA-N 386.417 5.927 30 40 GKEB C=C(C)CSc1nc2c(c(=O)[nH]1)[C@@](CC)(C1CCCCC1)Cc1ccccc1-2 5093643 RWILDBCFHCQHIZ-XMMPIXPASA-N 394.584 5.889 30 40 GKEB C=CCn1c(Cc2ccc(OC)cc2)nnc1SCc1ccc(Cl)cc1 6441535 PIRLIZORMVCDJY-UHFFFAOYSA-N 385.920 5.009 30 40 GKEB Cc1c(Cl)cccc1/N=C/c1ccc(OCc2ccc(F)cc2)c(Cl)c1 8277900 WJOMPCZARWSCNO-BRJLIKDPSA-N 388.269 6.771 30 40 GKEB Cc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)cc1 12652231 ZFMNNFWNWPSLHG-DEOSSOPVSA-N 398.462 5.409 30 40 GKEB C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=S)Nc1cccc(C)c1 12654272 RXFXYJQTRRETMI-UHFFFAOYSA-N 398.919 5.083 30 40 GKEB O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccccc1Cc1ccccc1 32905215 YOBGBTVFMBMLHZ-UHFFFAOYSA-N 388.470 5.325 30 40 GKEB O=[N+]([O-])c1ccc(N/N=C\c2cn(Cc3ccccc3F)c3ccccc23)cc1 38193592 QUNPHRGMSDRFJU-CFRMEGHHSA-N 388.402 5.183 30 40 GKEB CCCCCCCOc1ccccc1/C=C1/C(=O)ON=C1c1ccc(Cl)cc1 100730169 DTLQCFPILXHNTQ-CAPFRKAQSA-N 397.902 6.034 30 40 GKEB CCOc1cccc(/C=N/c2ccc(NC(=O)c3ccco3)c(Cl)c2)c1O 102417321 WDTAOMPYMUGBCO-WSDLNYQXSA-N 384.819 5.040 30 40 GKEB COc1ccccc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 103583445 HEHYCANMEPRJBY-BUVRLJJBSA-N 390.508 5.638 30 40 GKEB CCCCCCCCCCCCOc1ccc(C(=O)CC(=O)OCC)cc1 104131697 QQDSFCLBGPZSQQ-UHFFFAOYSA-N 376.537 6.122 30 40 GKEB CCCCCCCCCCCCCCCCCCNC(=O)N1CCCC[C@H]1C 104165102 HJKSQYHELAKUJY-XMMPIXPASA-N 394.688 7.832 30 40 GKEB CCCCCCCCCCCCNC(=S)N/N=C/c1ccccc1C(=O)O 104380333 GDRUPLBFCZJQAB-HAVVHWLPSA-N 391.581 5.104 30 40 GKEB C=CCOc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCCCC3)cc2)cc1 225665957 CBMCJHUWBVGOIY-GOSISDBHSA-N 395.572 5.289 30 40 GKEB Cc1cc(C)c2oc(-c3cccc(N=Cc4cc(Cl)ccc4O)c3)nc2c1 254303231 KCXYEAYODRRRCK-UHFFFAOYSA-N 376.843 6.221 30 40 GKEB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=S)Nc3ccc(CC#N)cc3)cc2)C1 260739845 QAEAVLIAYRBSER-ZWKOTPCHSA-N 392.572 5.037 30 40 GKEB C=CCOc1ccc(/C=C2/S/C(=N\c3c(C)cccc3C)N(CC)C2=O)cc1 408906145 HTQMICZUHKQGSU-MIIQOVFOSA-N 392.524 5.492 30 40 GKEB Cc1ccc(Sc2oc(/C=N/c3cccc(F)c3)cc2Br)cc1 408911942 PAKNFRGCDNROKA-SRZZPIQSSA-N 390.277 6.391 30 40 GKEB Cc1ccc(S(=O)(=O)Oc2cccc(/C=N\c3cc(Cl)ccc3C)c2)cc1 409202136 PDYZBIJUTLYOSZ-UCQKPKSFSA-N 399.899 5.475 30 40 GKEB COc1cc(N2CCCCC2)ccc1/C=N\c1ccc(C)cc1Br 409230192 CIFNIMZBDKWOAE-HMAPJEAMSA-N 387.321 5.507 30 40 GKEB Fc1cccc(Cn2ccc3cc(/C=N\c4cccc5ccccc45)ccc32)c1 409239197 CJVSNSUDXVCYIF-QRQIAZFYSA-N 378.450 6.733 30 40 GKEB CCOc1cc([C@@H]2Nc3c(ccc4ccccc34)C3=C2C(=O)CCC3)ccc1O 795919 OVJACKOHZAOKAB-DEOSSOPVSA-N 385.463 5.618 30 40 GKEB Cc1oc(/N=C/c2cc(Br)c(C)c(Br)c2)c(C#N)c1C 1093556 BZEANQSGRVJJGH-FBCYGCLPSA-N 396.082 5.352 30 40 GKEB CC1(C)CC(=O)C2=C(C1)OC1=C(CC(C)(C)CC1=O)[C@H]2c1ccccc1Cl 1639279 VNMFPHPGMWWBLM-LJQANCHMSA-N 384.903 5.740 30 40 GKEB CCn1c2ccccc2c2cc(/C=N/c3ccc(Br)cc3)ccc21 3161948 KCIOMYVQBGSFHL-OEAKJJBVSA-N 377.285 6.328 30 40 GKEB C/C(=N\OC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc2ccccc2c1O 5612726 UAZZFXBKSITJTD-FOKLQQMPSA-N 389.238 5.825 30 40 GKEB Cc1cc(Br)c(O)c(/C=N/c2ccc(Cc3ccncc3)cc2)c1 6571349 JFDBFUWQYQCAOI-YDZHTSKRSA-N 381.273 5.200 30 40 GKEB COc1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1 8116434 QHRARSHJKQEVIV-ZVHZXABRSA-N 381.859 5.687 30 40 GKEB C=C(C)COc1cccc(C(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)c1 8570642 UKKNUBHOQDYPSE-UHFFFAOYSA-N 399.512 5.011 30 40 GKEB C=CCOc1ccc(/C=C2/SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc1 12032502 MESAXWLEEXTUOR-FHHIAAGZSA-N 381.522 5.214 30 40 GKEB C=CCN(C(=O)c1ccc(N(C)CC)cc1)c1nc(-c2ccccc2)cs1 58160282 KYSLSUIRELHZHT-UHFFFAOYSA-N 377.513 5.099 30 40 GKEB CCOc1ccc(CN(C)C/C(O)=N/c2ccc(Cl)c(Cl)c2)cc1OC 82093330 QXXOOPJCZHYDNT-UHFFFAOYSA-N 397.302 5.121 30 40 GKEB N#CCc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)cc1 95465130 BWWGEWCVJYNQOR-ZWKOTPCHSA-N 392.890 5.195 30 40 GKEB C[C@@H](NC(=O)COc1ccc(/C=N\c2ccc(Cl)cc2)cc1)c1ccccc1 100093546 FATXRWZGZVPDSR-WZJLVRHISA-N 392.886 5.347 30 40 GKEB CC[C@H](C)c1ccc(O)c(/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)c1 100507076 OGKHBQUHYBMLRK-XPAGJJBOSA-N 393.237 5.033 30 40 GKEB O/N=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1 226339587 XGPREQWPZMENDK-WSVATBPTSA-N 375.049 5.143 30 40 GKEB C=CCOc1ccc(Br)cc1CNc1ccc(Cl)cc1Cl 408610605 QNRKKCLSFXRDGI-UHFFFAOYSA-N 387.104 5.933 30 40 GKEB C=CCOc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1OCC 408901014 BMPDSWSVHFKHGV-XMHGGMMESA-N 397.521 5.056 30 40 GKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N\c2ccc(Cl)cc2Cl)cc1OC 409384541 CXYYNWKCNUZRAB-FEJWEZRGSA-N 386.706 6.583 30 40 GKEB COc1ccc([C@H]2Nc3cc4ccccc4cc3C3=C2CC(C)(C)CC3=O)cc1 727157 WFXURIQNKPWBCE-RUZDIDTESA-N 383.491 6.158 30 40 GKEB Cc1ccc(Sc2ccc(C#N)cc2NC(=O)c2ccc(Cl)cc2)cc1 1383032 XKYMYQOBWDEAMJ-UHFFFAOYSA-N 378.884 5.924 30 40 GKEB CCCCCCCNC(=O)c1c(C)c(-c2ccc(Cl)cc2)nc2ccccc12 2082081 DTDPIIRGRBZQTJ-UHFFFAOYSA-N 394.946 6.564 30 40 GKEB N#C[C@@H](C(=O)CSc1cc(Cl)ccc1Cl)c1nc2ccccc2s1 2633089 LKCFHBMOPKBYNO-NSHDSACASA-N 393.320 5.572 30 40 GKEB Oc1c(Cl)cccc1/C=N/c1cc(C(F)(F)F)ccc1Oc1ccccc1 3095306 YSCJAKKQKIHXRE-BRJLIKDPSA-N 391.776 6.607 30 40 GKEB CC[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(C(C)(C)C)cc3)c2C#N)C1 4628568 LJMNUDDGSQWHON-WQMJKPAKSA-N 392.568 6.084 30 40 GKEB C=CCOc1ccc(/C=C2\N=C(c3ccc4ccccc4c3)OC2=O)cc1OCC 4832973 WDTLXAZIECTVDF-STZFKDTASA-N 399.446 5.148 30 40 GKEB O=C1/C(=C/c2c(F)cccc2Cl)Oc2cc(OCc3ccccc3F)ccc21 5216145 YUZXHHFYWZDLQX-NHDPSOOVSA-N 398.792 5.813 30 40 GKEB Cc1ccc(O)c(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c1 8367784 HVKAIQMJWBHRDD-JVWAILMASA-N 378.431 6.250 30 40 GKEB Cc1nn2c(c1-c1ccc(F)cc1)NC1=C(C(=O)C[C@H](C)C1)[C@@H]2c1ccccc1 14163748 BQZFEPXVQWSTGD-FATZIPQQSA-N 387.458 5.266 30 40 GKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1S[C@@H]2c1ccc2c(c1)OCO2 14671914 FSSUYOUFHOFOSK-OAQYLSRUSA-N 379.481 5.317 30 40 GKEB C(=N\Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1)\c1c[nH]c2ccccc12 15015676 FIJQOFAWVBRYMZ-QQXSKIMKSA-N 390.450 5.133 30 40 GKEB C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)N1CCC(c3noc4cc(F)ccc34)CC1)C2 19460725 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Cc1ccsc1[C@@H]1C2=C(C[C@@H](c3cccs3)CC2=O)Nc2[nH]nc(C)c21 18200080 VAZIIDINXXEBRI-XIKOKIGWSA-N 381.526 5.108 30 40 GKEB CCc1ccc(-c2cc(-c3ccc(Br)cc3)c(C#N)c(N)n2)cc1 34953727 VAMJURJGOZHHER-UHFFFAOYSA-N 378.273 5.194 30 40 GKEB Cc1cc(C)cc(-n2c(C)cc(/C=N/c3sc4c(c3C#N)CCCC4)c2C)c1 59426959 NTVBZXXPCOSEFG-VULFUBBASA-N 387.552 6.274 30 40 GKEB CCCCCCCCOc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 97949443 QZICWAUCWDKKPN-UHFFFAOYSA-N 398.550 7.871 30 40 GKEB CCCCCCCCCCCCCCCC[C@]1(C)OCO/C1=C\C[N+](C)(C)C 100470955 RQDSIGHZPNJXSR-MKEBKOIESA-N 396.680 7.211 30 40 GKEB CCCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)c(C#N)c1 225682166 REFXMUAHZAPGRX-UHFFFAOYSA-N 380.463 5.327 30 40 GKEB CC(C)CCC(=O)O[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 253499850 PPYHLSBUTAPNGT-LQUXEAIISA-N 386.576 5.866 30 40 GKEB biogenic CCOc1ccccc1/N=C/c1cc(C)n(-c2ccc(Br)cc2)c1C 408737345 CCIQXOJFVOXADR-OEAKJJBVSA-N 397.316 6.006 30 40 GKEB FC(F)(F)c1cccc(-n2cccc2/C=N\c2ccc(Cl)cc2Cl)c1 408942203 WRPNHUKPHDASKG-MYKKPKGFSA-N 383.200 6.554 30 40 GKEB Cc1cc(/N=C/c2c#ccc(OCc3ccc(F)cc3)c2)n(-c2ccccc2)n1 409069686 XANKJSOYANOBHI-WGOQTCKBSA-N 383.426 5.250 30 40 GKEB Fc1ccc(COc2cccc(/C=N/Nc3ccc(C(F)(F)F)cn3)c2)cc1 409106865 PQSHOYDMKCIZGG-KBKYJPHKSA-N 389.352 5.265 30 40 GKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N\c2ccccc2Br)cc1OC 409380070 GUPWSYIOKWBNHZ-UORWWSPDSA-N 396.712 6.039 30 40 GKEB CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1F)C(=O)C[C@H]2c1ccsc1 1079628 BZHFHROMCYTTOB-AWEZNQCLSA-N 387.451 5.190 30 40 GKEB COc1ccc(Cl)cc1N/N=C(\C#N)c1nc(-c2ccc(C)cc2)cs1 4175547 GQQFWQRZFSXDBQ-LFVJCYFKSA-N 382.876 5.120 30 40 GKEB CC(=O)Nc1sc(N/N=C/c2ccc(Cl)cc2)nc1-c1ccc(C)cc1 4995425 CBKXHKWBBJSDSD-SRZZPIQSSA-N 384.892 5.176 30 40 GKEB CC1(C)CC(=O)C(=C(SCc2ccccc2)SCc2ccccc2)C(=O)C1 5424051 UIHVPDTXXZBGHT-UHFFFAOYSA-N 396.577 6.023 30 40 GKEB Cc1cccc(C)c1/N=C1\NC(=S)N(c2cccc(Cl)c2)C12CCCC2 5427330 QTSRADJSEDGFML-UHFFFAOYSA-N 383.948 5.694 30 40 GKEB CC(C)Oc1ccc(C(=O)/C=C/Nc2ccc(Br)cc2Cl)cc1 6616721 NENJYOXBZLDQLX-MDZDMXLPSA-N 394.696 5.698 30 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40 GKEB C=CCn1c(SCc2ccc(C(C)(C)C)cc2)nnc1-c1ccccc1OC 3323458 GYLLPCGTIYWMLV-UHFFFAOYSA-N 393.556 5.730 30 40 GKEB O=[N+]([O-])c1ccc(/C=N/Nc2cc(-c3ccccc3)c3cc(Cl)ccc3n2)o1 4321090 QUOTZBQYNRPJIC-WSDLNYQXSA-N 392.802 5.502 30 40 GKEB COc1ccc(C2=CC(=C3C(=O)c4ccccc4C3=O)c3cc(C)ccc3O2)cc1 5937324 VMNWDMPAYDUBFE-UHFFFAOYSA-N 394.426 5.270 30 40 GKEB C=CCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OCC 6439555 FOZABNSYLRQESQ-UHFFFAOYSA-N 389.451 5.695 30 40 GKEB C[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@H]2c1ccco1 9317495 CDCCTBKHXGWFTL-FYSMJZIKSA-N 398.462 5.346 30 40 GKEB Cc1ccccc1NC(=O)CSc1nc(-c2ccc(Cl)cc2)ccc1C#N 12250950 ZVQNTJVTRRCQBL-UHFFFAOYSA-N 393.899 5.313 30 40 GKEB CN(c1ccccc1)c1ccc(/C=C2/C(=O)ON=C2c2ccc(Cl)cc2)cc1 13615357 BORCCJZOODXSLN-RCCKNPSSSA-N 388.854 5.452 30 40 GKEB Brc1ccc(/N=C/c2nc(-c3ccccc3)n3ccccc23)cc1 15441586 CAJYEMGEECHNDU-HYARGMPZSA-N 376.257 5.514 30 40 GKEB CCN(CC)Cc1c(O)ccc2c1O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 20647013 YEHUFHAZXZICFI-STZFKDTASA-N 379.500 5.148 30 40 GKEB N#CCCn1cc(-c2csc(NCCc3cccs3)n2)c2ccccc21 32885563 SVJIAMGMPGIXAO-UHFFFAOYSA-N 378.526 5.395 30 40 GKEB Cc1ccc(OCc2ccc(-c3nc(C#N)c(N4CCC[C@H](C)C4)o3)o2)cc1C 33027153 OVMBMNYEYLMRES-HNNXBMFYSA-N 391.471 5.238 30 40 GKEB O=[N+]([O-])c1ccc(-c2ccc(/N=C/c3cc(Br)ccc3O)cc2)cc1 101057680 JCUXFFHIALBGGI-CIAFOILYSA-N 397.228 5.481 30 40 GKEB Clc1ccccc1COc1cccc(/C=N\Nc2nc3ccccc3s2)c1 208909708 FOFIAHMJUZMLFZ-QRVIBDJDSA-N 393.899 5.975 30 40 GKEB C=CCOc1ccc(NC(=S)NC2(c3ccccc3Cl)CCCC2)cc1 225868080 JGJXTATZHVOTTB-UHFFFAOYSA-N 386.948 5.661 30 40 GKEB COc1ccc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)cc1OC 408976129 PLMMIHDKOXDCKL-ZMOGYAJESA-N 388.379 5.439 30 40 GKEB C=CCn1cc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc21 409104023 CVSHIJLODMNCPM-FOKLQQMPSA-N 388.349 5.200 30 40 GKEB Cc1ccc([C@H]2CC(=O)N(c3ccc(F)cc3F)C3=C2C(=O)CC(C)(C)C3)cc1 1079608 VARHKNLJRWRLBV-QGZVFWFLSA-N 395.449 5.437 30 40 GKEB C=CCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S 1197439 NSEMICSSQWZYLN-DHDCSXOGSA-N 396.320 5.641 30 40 GKEB C=C1CC[C@@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)C 3947571 QYSXJUFSXHHAJI-YHJXBONMSA-N 384.648 7.619 30 40 GKEB biogenic,in-vitro C=C(C)Cn1c([C@@H]2CC(=O)N(c3ccc(CCCC)cc3)C2)nc2ccccc21 4033320 YRRZWUDEMFZILJ-HXUWFJFHSA-N 387.527 5.476 30 40 GKEB C[C@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H](C)C1(O)C#Cc1ccccc1 4133149 JVERHSPATOGMGT-YXGPKXJVSA-N 381.519 5.127 30 40 GKEB CCc1ccc2nc(SCC(=O)Nc3cc(C)ccc3C)c(C#N)cc2c1 4848945 WIFXGERNGJQXRV-UHFFFAOYSA-N 375.497 5.017 30 40 GKEB CCCC(=O)Nc1ccc(/N=C/c2cc(Br)cc(Cl)c2O)cc1 5501733 IUZIWRRBAVLZEX-KEBDBYFISA-N 395.684 5.297 30 40 GKEB O=C1N/C(=N/c2ccc(F)c(Cl)c2)S/C1=C/c1cccc2ccccc12 5551546 QBTWBKVPCUHIOI-VCHYOVAHSA-N 382.847 5.524 30 40 GKEB N#Cc1nc(-c2ccccc2)oc1N/N=C/c1cccc(Oc2ccccc2)c1 26963288 FXOFJQMJNNBWCU-PCLIKHOPSA-N 380.407 5.452 30 40 GKEB CCCCCCCCCCSCC(=O)Nc1ccc(Br)cc1 98023182 MEWRLJLWRRARRS-UHFFFAOYSA-N 386.399 6.262 30 40 GKEB CCCCCCCCCCCCCCSC/C(=N\O)c1cc(C)ccc1O 100933972 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CCCCCCCCCCCCCCCCCCCCC[C@@H](O)CC(=O)O 85913249 DVDLWGAAEYKXSB-HSZRJFAPSA-N 384.645 7.644 30 40 GKEB biogenic,in-vitro CCCCCCCOc1ccc(/C=C2\N=C(c3cccc(F)c3)OC2=O)cc1 101476687 FMAHUZQBMYRPCQ-QNGOZBTKSA-N 381.447 5.519 30 40 GKEB O=C(/C=C(\c1ccccc1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1c1ccccc1)c1ccccc1 104146766 LBHWEQWBWMJLLL-WYFGQIIPSA-N 376.499 6.559 30 40 GKEB CCCCCCCCCCCCNC(=S)N/N=C/c1cccc2ccccc12 104380321 ZULJURZPKSKYIC-LHLOQNFPSA-N 397.632 6.559 30 40 GKEB Sc1nnc(C2CCCCC2)n1N=Cc1ccc(OCc2ccccc2)cc1 253616993 OGBFWWWIFVISIH-UHFFFAOYSA-N 392.528 5.076 30 40 GKEB CCN1C(=O)/C(=C\c2ccc(C)c([N+](=O)[O-])c2)S/C1=N\c1c(C)cccc1C 408905475 AOJNLNWZJMJMRR-WBCKRXDOSA-N 395.484 5.144 30 40 GKEB COC(=O)c1cc(/N=C/c2cccn2-c2ccc(C)c(Cl)c2)ccc1Cl 409010491 KRVVEHWWBAARAD-FSJBWODESA-N 387.266 5.630 30 40 GKEB O=[N+]([O-])c1cc(Br)c(O)c(/C=N\c2ccc(Cl)cc2Cl)c1 409069947 BRWBXZNFVBDSCX-FMQZQXMHSA-N 390.020 5.120 30 40 GKEB Cc1cc(C)cc(-n2c(C)cc(/C=N/Nc3ccc(C(F)(F)F)cn3)c2C)c1 409100579 UZQSTJNXYBGLHV-KBKYJPHKSA-N 386.421 5.571 30 40 GKEB COc1ccccc1C1C2=C(CC(C)(C)CC2=O)N(C)C2=C1C(=O)CC(C)(C)C2 1461722 UEVZWABIUGWGHL-UHFFFAOYSA-N 393.527 5.011 30 40 GKEB O=C1ON=C(c2ccccc2)/C1=C\c1ccc(OCc2ccc(Cl)cc2)cc1 3178011 WZUBGMPGGBKGEB-KGENOOAVSA-N 389.838 5.264 30 40 GKEB Cn1c(-c2ccccc2)c(/C=N/N=c2/sc3ccccc3n2C)c2ccccc21 3351363 UMXOSJPVBIGGIO-DSOIMHBNSA-N 396.519 5.333 30 40 GKEB CC(=O)Oc1cc([N+](=O)[O-])ccc1N=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1 4832618 WQJQQPYNHKWCQQ-UHFFFAOYSA-N 398.459 5.120 30 40 GKEB CCOc1cc(-c2nc3ccccc3s2)ccc1OCc1ccccc1C#N 6961554 CBCMFAMPZNTPMS-UHFFFAOYSA-N 386.476 5.813 30 40 GKEB C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@@H]1c1cccs1 9578852 BZHDWIGTAULBAA-WMLDXEAASA-N 399.585 5.114 30 40 GKEB N#Cc1ccc(Cn2cc(/C=N/NCc3ccc(Cl)cc3)c3ccccc32)cc1 9879483 ALHONHUZPIYNFY-RWPZCVJISA-N 398.897 5.338 30 40 GKEB O=C(/C=C/c1cccc(NC(=O)c2ccccc2Cl)c1)c1cccc(O)c1 23165160 UYHNHWIKUJGCFN-VAWYXSNFSA-N 377.827 5.194 30 40 GKEB Cn1cc(/C=C2\Oc3cc(OCc4ccccc4F)ccc3C2=O)c2ccccc21 28182412 RJLCZZMIYZZRLL-MSXFZWOLSA-N 399.421 5.513 30 40 GKEB C=CCc1cc(OCC)cc(CN2CCC(c3nc4ccccc4o3)CC2)c1O 40149262 DHSPWCJJELPGMS-UHFFFAOYSA-N 392.499 5.040 30 40 GKEB CCCCCCCCCCCOC(=O)c1cccc2c1-c1ccccc1/C2=N\O 100782251 DAUJZNKMWMMXCE-SHHOIMCASA-N 393.527 6.581 30 40 GKEB CC(C)c1ccc(N2Cc3ccccc3/C2=N\C(=O)c2ccc(Cl)nc2)cc1 102923845 GRFMOSKXYNZJMD-XTCLZLMSSA-N 389.886 5.466 30 40 GKEB CC/N=c1/scc(-c2ccc(-c3ccccc3)cc2)n1/N=C/c1ccccn1 102960668 MPOCIWOCVCOTQB-JGWVSIEUSA-N 384.508 5.081 30 40 GKEB N#CCc1ccc(NC(=S)NCCCSCc2ccccc2Cl)cc1 225606542 HNFXQQIOKGVKFI-UHFFFAOYSA-N 389.977 5.016 30 40 GKEB CC[C@@H](C)Oc1ccc(/C=N/OCc2ccccc2C#N)cc1Br 408595703 MNUZZXRSNOTMPZ-LVCXCXRVSA-N 387.277 5.049 30 40 GKEB CC[C@H](C)N1C(=O)/C(=C\c2cccc(OC)c2O)S/C1=N\c1ccc(C)cc1 408915944 SEUADHGJCKIBFS-XQJJTOTJSA-N 396.512 5.112 30 40 GKEB COc1ccccc1/C=N/c1nc(-c2ccc(C3CCCCC3)cc2)cs1 408978207 LGALKPQNWSIFOJ-BUVRLJJBSA-N 376.525 6.617 30 40 GKEB Cc1cccc(-n2c(C)cc(/C=N/Nc3ccc(C(F)(F)F)cn3)c2C)c1C 409074495 MDBVHMNGMPOHIP-KBKYJPHKSA-N 386.421 5.571 30 40 GKEB CC1=NOC(=O)/C1=C\c1cc(Cl)cc(Cl)c1OCc1cccc(Cl)c1 409087730 ZLDGAULIXGXTTP-CHHVJCJISA-N 396.657 5.542 30 40 GKEB C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc4ccccc34)c2C)C1=O 409095969 JFOFJSMPPRQMIZ-KGENOOAVSA-N 388.492 5.470 30 40 GKEB CCCCCCCCCC(=O)Oc1ccc(N2C(=O)c3ccccc3C2=O)cc1 2067947 MILOIPFCVXHSDY-UHFFFAOYSA-N 393.483 5.533 30 40 GKEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccsc2)cc1 20732266 FCNAYAICRQMOHO-YWZLYKJASA-N 392.480 5.011 30 40 GKEB C=CCn1c(-c2ccc(C)cc2)cnc1SCC(=O)Nc1ccc(Cl)cc1 44085721 YWXHAVLUDWOVGA-UHFFFAOYSA-N 397.931 5.429 30 40 GKEB CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 57316116 XDZIAVNHIOUJLW-UHFFFAOYSA-N 382.529 5.202 30 40 GKEB CCCCCCCCC(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2 97942932 XEJTUYLFPHAGHX-UHFFFAOYSA-N 379.566 5.881 30 40 GKEB CCOc1ccc(-n2c(C)cc(/C=N/c3cccc(Br)c3)c2C)cc1 137833174 LIXMOPZJRCYCOR-OEAKJJBVSA-N 397.316 6.006 30 40 GKEB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3)cc21 223474712 GDXCYETVDNQCLW-OEAKJJBVSA-N 378.476 5.451 30 40 GKEB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1cccs1)C2=O 253497827 IWWSCPLMANPYFX-GPQLGGQCSA-N 382.569 5.634 30 40 GKEB Clc1ccc(N2CCN(N=Cc3c4ccccc4cc4ccccc34)CC2)cc1 254438608 AXNCNOYVDRYBPE-UHFFFAOYSA-N 399.925 5.803 30 40 GKEB CC[C@@H](C)N1C(=O)/C(=C\c2ccccc2OC)S/C1=N\c1ccc(C)cc1 408907328 BCNNYQMBPCNVJH-SGOKGXKRSA-N 380.513 5.406 30 40 GKEB Cc1cc(/C=N\c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408939897 IVDBWQJIPYLJCJ-JJFYIABZSA-N 397.818 5.105 30 40 GKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc(Cl)cc3Cl)c2C#N)C1 409078751 IAQNXRJCWBNCLP-DKZNWEEVSA-N 391.367 6.828 30 40 GKEB O=[N+]([O-])c1ccc(N/N=C/c2c3ccccc3cc3ccccc23)c([N+](=O)[O-])c1 4016169 NUMAOWIOKLXBNM-LPYMAVHISA-N 386.367 5.255 30 40 GKEB Cc1ccc2cc(C)c(N/N=C/c3c(C)nn(-c4ccccc4)c3Cl)nc2c1 5447227 SKVLYMVNEAIWMP-ZMOGYAJESA-N 389.890 5.445 30 40 GKEB COc1ccc(CS/C(S)=N/c2ccc(Cl)c(C(F)(F)F)c2)cc1 6411219 PCDLCPXKJFVDIG-UHFFFAOYSA-N 391.867 6.218 30 40 GKEB Cn1c(N/N=C/c2cccc(OCc3ccccc3Cl)c2)nc2ccccc21 7343410 BCZROLIYTCTGLX-ZVHZXABRSA-N 390.874 5.252 30 40 GKEB C#CCOc1c(Br)cc(/C=N/c2ccc(CC)cc2)cc1OCC 8084222 ZEYMJTTVGXIGMV-HYARGMPZSA-N 386.289 5.173 30 40 GKEB Clc1ccc(C/N=C2\N/C(=N\Cc3ccc(Cl)cc3)c3ccccc32)cc1 12576598 AOLSOEGKJBDQIR-UHFFFAOYSA-N 394.305 5.490 30 40 GKEB C=CCn1c(=S)[nH]c2cc(C(=O)Nc3ccc([C@H](C)CC)cc3)ccc2c1=O 12610076 UQNVNAITFQNMCG-CQSZACIVSA-N 393.512 5.011 30 40 GKEB COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1 12662874 IIBQFFHPXRVWFA-UPFJJGCZSA-N 398.414 5.087 30 40 GKEB biogenic COc1ccc(OC)c(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 33696811 BGEQJYJDTSKNSI-WGOQTCKBSA-N 375.512 5.922 30 40 GKEB CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)C 96906286 QSFBUDDTFXACIS-UHFFFAOYSA-O 383.685 6.460 30 40 GKEB CCc1cccc(C)c1/N=C1\N=C(SC)N(c2cccc(O)c2)C12CCCC2 100689181 GFUXOVXUWBEPSP-FLFQWRMESA-N 393.556 5.845 30 40 GKEB CCCCCCCCC(=O)O[C@@H](COCc1ccccc1)CN(CC)CC 100709308 BXXFJVPQOJZQEU-JOCHJYFZSA-N 377.569 5.207 30 40 GKEB CCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103525336 MXWAWYKEMQNBBF-UHFFFAOYSA-N 390.183 6.306 30 40 GKEB CCCCCC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103530481 VRMZFXFVOGMABR-BQYQJAHWSA-N 380.241 6.617 30 40 GKEB CC(=O)Nc1ccc(/N=C/c2cc3c(cc2Cl)N(C)C(C)(C)C[C@@H]3C)cc1 198085468 VWVSBZSMLIQVQJ-KIQCMGJBSA-N 383.923 5.771 30 40 GKEB CCC(C)(C)[C@@H]1CCC(=O)/C(=C/Nc2ccc(Br)c(Cl)c2)C1 408562992 HMABLDDTKXANLB-XZHRJIJLSA-N 384.745 6.204 30 40 GKEB CCCOc1ccccc1/C=C1/S/C(=N\c2ccccc2)N(CCC)C1=O 408913459 MMEFQMNVGATHTD-SUJVXMJXSA-N 380.513 5.489 30 40 GKEB O=[N+]([O-])c1cccnc1N/N=C/c1ccc(OCc2cccc3ccccc23)cc1 409089065 MUACJMFATHTYKZ-MFKUBSTISA-N 398.422 5.168 30 40 GKEB CC(C)Oc1cccc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1 575242961 MKUDTQZHMSAJKU-UHFFFAOYSA-N 382.222 5.125 30 40 GKEB Cc1cc(-c2ccc(/N=C/c3ccccc3)c(C)c2)ccc1/N=C/c1ccccc1 2831986 PRHMEWBJVZJBEX-CZYCKNNWSA-N 388.514 7.472 30 40 GKEB C[C@@H](Oc1ccc(-c2ccc(C#N)cc2)cc1)C(=O)C12CC3CC(CC(C3)C1)C2 6087690 HJQVWAADMBIHEZ-GWKODMSMSA-N 385.507 5.778 30 40 GKEB COc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCc1ccccc1F 8367888 ZCMFGECAYHFAIQ-LGJNPRDNSA-N 397.877 6.434 30 40 GKEB N#Cc1c(-c2ccccc2)c[nH]c1Sc1ccccc1C(=O)NCc1ccco1 12879303 WDLKKHQEQISXHA-UHFFFAOYSA-N 399.475 5.228 30 40 GKEB Cc1cccc(COc2ccc(/C=N/c3ccc(N4CCOCC4)cc3)cc2)c1 408932048 SLVLJUFZOGUINS-NLRVBDNBSA-N 386.495 5.161 30 40 GKEB N#Cc1ccccc1/C=N/Nc1nc(-c2ccccc2)c2cc(Cl)ccc2n1 4183559 LUNWNQNBJRCYJU-AFUMVMLFSA-N 383.842 5.268 30 40 GKEB O=[N+]([O-])c1cc(Br)cc(/C=N/c2cc(Cl)ccc2Cl)c1O 6220042 WZCSBVRLXDFIAE-UBKPWBPPSA-N 390.020 5.120 30 40 GKEB COc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCc1ccc(C)cc1 8372956 CRFQZDFXLHRDLG-VULFUBBASA-N 393.914 6.603 30 40 GKEB CCOc1ccc(-n2c(C)cc(/C=N/NCc3ccccc3Cl)c2C)cc1 8811729 HACPCIJFSNDWNO-MFKUBSTISA-N 381.907 5.270 30 40 GKEB Clc1ccc(-c2ccc(/C=N/NCc3c(Cl)cccc3Cl)o2)cc1 9195488 GWXDILPRZMWYNM-LSHDLFTRSA-N 379.674 6.031 30 40 GKEB Cc1ccc(/N=C2/N[C@](c3ccccc3)(C(F)(F)F)Oc3ccccc3O2)cc1 17186065 FJFQTWNUMOLOMV-NRFANRHFSA-N 398.384 5.459 30 40 GKEB CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1sccc1C 18244471 MCUZOIXXLQXJBK-NRFANRHFSA-N 394.540 5.610 30 40 GKEB O=C1/C(=C\c2ccccc2Cl)S/C(=N/c2ccccc2)N1c1ccccc1 19892446 WFJWVZZIJGJNSK-WJGQKVTCSA-N 390.895 6.149 30 40 GKEB COc1ccccc1CN/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 20761726 IDPZTXKTZMGCIY-FSJBWODESA-N 375.255 5.386 30 40 GKEB Oc1ccc(Br)cc1/C=N/c1ccc(Cl)c(C(F)(F)F)c1 44835894 BTIUQSZHFDKMJX-IFRROFPPSA-N 378.575 5.578 30 40 GKEB Cc1cc(/C=N/c2ccc(C#N)cc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 59248628 GKEFMKNQFUCNOF-WYMPLXKRSA-N 377.831 5.068 30 40 GKEB O=C1/C(=C/c2cccc(O)c2)S/C(=N\c2ccccc2)N1C1CCCCC1 100463497 HJFFNDSQWBELRM-BLFRMDKKSA-N 378.497 5.329 30 40 GKEB Cc1ccc(/N=c2/c(CCC(C)C)c(C)c(C#N)c3[nH]c4ccccc4n23)cc1 102644370 SIDHQZRAAYSLAQ-PNHLSOANSA-N 382.511 5.730 30 40 GKEB CC/N=C1/S/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N1CC 109596602 PFADUZPOVZPLJH-XSGZQOPMSA-N 395.311 5.566 30 40 GKEB O=C1NC(=Nc2ccc(Cl)c(Cl)c2)S/C1=C\c1ccc(O)c(Cl)c1 408767534 MCEYVKDEXMXHSR-NSIKDUERSA-N 399.686 5.244 30 40 GKEB CCOc1ccc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc1Cl 408772276 NLILMFAYYWKVKO-PDGQHHTCSA-N 386.904 5.193 30 40 GKEB CC[C@@H](C)Oc1ccc(/C=N/c2ccc(Cl)c(C(=O)OC)c2)cc1Cl 409019587 ZTACPEHEBPSENX-VTGBELTLSA-N 380.271 5.708 30 40 GKEB COc1ccc(Oc2ccc(N/C=C/C(=O)c3cccc(OC)c3)cc2)cc1 409085584 DUVAUIWGUQGBJV-CCEZHUSRSA-N 375.424 5.305 30 40 GKEB Cc1ccc(COc2ccc3ccccc3c2/C=N/c2cccc(Cl)c2C)cc1 409207891 CCUMYGGBGMWPER-LQKURTRISA-N 399.921 7.440 30 40 GKEB Cc1cccc(/N=C/c2ccccc2OCc2ccc(Br)cc2)c1C 409212030 LKZUSNCNUKPLGP-ZVHZXABRSA-N 394.312 6.396 30 40 GKEB Cc1cc(/C=N\c2ccccc2F)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 409386036 NKWJJLYSRHBUJK-MSXFZWOLSA-N 396.487 5.622 30 40 GKEB CN1C=C/C(=C\C2=CC(=C3C(=O)c4ccccc4C3=O)CCC2)c2ccccc21 685944569 NAJGPEAOWUKNPT-OBGWFSINSA-N 379.459 5.520 30 40 GKEB O=C1CCCC2=C1[C@@H](c1c(F)cccc1Cl)Nc1ccc3ccccc3c12 659169 LTRJUGXFTYVBLO-QHCPKHFHSA-N 377.846 6.306 30 40 GKEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C)cc1 2795938 TZXXNLOXQXDXPM-JOCHJYFZSA-N 395.543 5.332 30 40 GKEB Cc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2ccccc2)cc1C 3329514 MNUAGUGXGFPXCS-UHFFFAOYSA-N 396.519 5.715 30 40 GKEB COc1cc(/C=N/c2ccc(C)cc2C)ccc1OCc1ccc(Cl)cc1 8368692 MZWPWEIOSKTXRW-AFUMVMLFSA-N 379.887 6.295 30 40 GKEB CCCCCCCCCCOc1ccc(NC(=O)N2CCCC[C@@H]2CC)cc1 8427388 SGODZTPFTSTQAC-QFIPXVFZSA-N 388.596 7.003 30 40 GKEB CC(=C\c1ccccc1)/C=C1/S/C(=N/c2cccc(Cl)c2Cl)NC1=O 12032479 TZMNEYHQUPRDSV-SKZWUVKFSA-N 389.307 5.831 30 40 GKEB Clc1ccc(-c2csc(N/N=C/c3c(Cl)cccc3Cl)n2)cc1 14257469 KHLAKIKEZPUBJS-DNTJNYDQSA-N 382.703 6.216 30 40 GKEB Cc1cc(Br)c(O)c(/C=N/c2ccc3c(c2)Cc2ccccc2-3)c1 16267131 KBMRFCWALGQALE-FSJBWODESA-N 378.269 5.785 30 40 GKEB C/C(CC(=O)c1ccccc1)=N/CCCC/N=C(/C)CC(=O)c1ccccc1 17120123 DEOSFAQXYILCQW-DQIQZUARSA-N 376.500 5.234 30 40 GKEB CCCCOc1cccc([C@@H]2C(C(C)=O)=C(C)Nc3nc4ccccc4n32)c1 20797246 AXJFJLTXSCASKF-JOCHJYFZSA-N 375.472 5.093 30 40 GKEB CCCCCCCCCCCCC/C(=N\O)c1ccc(OCCCC)cc1O 100930280 ODGKWBAHAXRRNP-WJTDDFOZSA-N 391.596 7.451 30 40 GKEB CCCCCCCCCCc1noc2c1/C(=N\O)C[C@@H](C[C@@H](C)SCC)C2 103007866 KJKOMIKRFOOAEA-XUYQAASISA-N 394.625 6.630 30 40 GKEB O=[N+]([O-])c1cc(Br)ccc1-c1ccc(/C=N/Nc2ccccc2)o1 409254062 CQMZVADOKGVZSS-YBFXNURJSA-N 386.205 5.063 30 40 GKEB CCc1ccc(/N=C/c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)cc1 409382672 NECCMXCBHPVDGO-WGOQTCKBSA-N 386.495 5.634 30 40 GKEB COC(=O)c1ccc(Cn2cc(/C=N\c3cc(C)ccc3C)c3ccccc32)o1 409393630 RNYCLIBORQBKJB-MXAYSNPKSA-N 386.451 5.437 30 40 GKEB CC[C@@H](C)Oc1ccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1 409406761 YSBVLBUGSFZBIL-GOSISDBHSA-N 397.478 5.123 30 40 GKEB CCCCCCCCNC(=O)c1ccc(Br)cc1Br 2061872 VPALKDSAWSOEQS-UHFFFAOYSA-N 391.147 5.302 30 40 GKEB CCOC(=O)c1c(/N=C/c2sc3ccccc3c2OC)sc2c1CCCC2 2277521 XJAJLLZSVKGEFV-WSDLNYQXSA-N 399.537 5.778 30 40 GKEB Oc1ccc(/C=N/c2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)c(O)c1 3066512 QHTYAMFUOAFPNJ-AUEPDCJTSA-N 399.233 5.963 30 40 GKEB CCC[C@H](C)c1ccc(O)c(/N=C/c2c(C)c(Cl)c(C)c([N+](=O)[O-])c2O)c1 3115473 JFJZEFDUDJXPOI-ZOCVZFIWSA-N 390.867 5.930 30 40 GKEB CC(C)(C)c1ccc(-c2nc3cc(/N=C/c4ccccc4[N+](=O)[O-])ccc3o2)cc1 3162689 DQSQHWLBIDDEPF-MFKUBSTISA-N 399.450 6.451 30 40 GKEB N#C[C@H](C(=O)c1ccc2ccccc2c1)c1nc2ccc(C(F)(F)F)cc2s1 3268666 QLBJPCVLNUAUMN-MRXNPFEDSA-N 396.393 5.958 30 40 GKEB CCOc1ccc2ccc(OCC)c(/C=N/Nc3nc4ccccc4s3)c2c1 4544242 LNZCESNITGGWKK-OEAKJJBVSA-N 391.496 5.693 30 40 GKEB O=C(Nc1ccc(-c2csc(N/N=C/c3ccco3)n2)cc1)c1ccccc1 4763211 NAJCZGTYNHIIFZ-LPYMAVHISA-N 388.452 5.101 30 40 GKEB CC[C@@H](C)c1ccccc1/N=C/c1cc([N+](=O)[O-])cc(Br)c1O 6440236 PYCSKZQKDIKAKR-VURRPDKYSA-N 377.238 5.327 30 40 GKEB CCc1ccc(-c2cs/c(=N\c3ccccc3)n2N=C2CCCCC2)cc1 6489967 BOCORKCFAPLSNY-VHXPQNKSSA-N 375.541 6.180 30 40 GKEB CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Br)c1OC 6959082 CHCGPKHPFOYIDM-KEBDBYFISA-N 382.685 5.569 30 40 GKEB C=CCOc1c(Br)cc(/C=N/c2cc(C)ccc2C)cc1OCC 6959724 DNNWVSAKUBMGHN-LPYMAVHISA-N 388.305 5.780 30 40 GKEB CCc1cccc(CC)c1/N=C(\S)N1CCn2cccc2[C@H]1c1ccncc1 13543274 NNDPKTKIDYCHIA-JOCHJYFZSA-N 390.556 5.030 30 40 GKEB CC1(C)CS/C(=N\c2cccc(C(F)(F)F)c2)N1C(=O)/C=C/c1ccco1 14358881 FQPJSSZTKXVZOQ-SCGVMHMESA-N 394.418 5.353 30 40 GKEB COc1cccc(NC(=S)/N=C(\Nc2ccccc2)c2ccc(C)cc2)c1 16319423 IKTHIJMCPLSZOM-UHFFFAOYSA-N 375.497 5.259 30 40 GKEB CN(C)[C@@H](CNC1CCC(C#N)(c2ccccc2)CC1)c1c(F)cccc1Cl 22912763 UWAFIJSXKYTOEJ-STDCAVTESA-N 399.941 5.076 30 40 GKEB CCCCCCCCOC(=O)CSc1nc2ccc(NC(C)=O)cc2s1 68564939 KMDMRNAKIUGONG-UHFFFAOYSA-N 394.562 5.251 30 40 GKEB biogenic Cc1c(/N=N/c2cc(-c3ccccc3)n[nH]2)c(O)n2c(nc3ccccc32)c1C#N 101629869 XCQZHOLZEAKCNI-BYYHNAKLSA-N 393.410 5.179 30 40 GKEB CCCCCc1c(C)c(C#N)c2[nH]c3ccccc3n2/c1=N\c1ccc(OC)cc1 102594472 PIWVVGMAFBPSRT-PNHLSOANSA-N 398.510 5.574 30 40 GKEB CCOC(=O)c1cccc(/N=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)c1 408762035 CEOAXRCPBMONMO-OYKKKHCWSA-N 380.875 5.675 30 40 GKEB Cc1cc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1-c1cccc(Cl)c1 408762347 AQIOWJCRPBUBQE-SSDVNMTOSA-N 388.254 6.060 30 40 GKEB Cc1cc(/C=N/Nc2ccc(C(F)(F)F)cc2)c(C)n1-c1ccc(Cl)cc1 408932907 FQTIVJOZWZBOLP-BRJLIKDPSA-N 391.824 6.212 30 40 GKEB CCOc1ccc(-n2c(C)cc(/C=N/c3ccc(C(=O)OC)cc3)c2C)cc1 409186406 BSDUIHKHWMOROQ-BUVRLJJBSA-N 376.456 5.030 30 40 GKEB CCCCCCCCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CCCCCCCC 1857793977 JYHWGZCLHKMQMC-FGZHOGPDSA-N 394.644 6.031 30 40 GKEB C=CCn1c(C)c(/C=C2\SC(Nc3ccc(C)cc3)=NC2=O)c2ccccc21 654934 FYIPNABTPRWGLB-STZFKDTASA-N 387.508 5.527 30 40 GKEB CC1=C(C)C(=O)c2cc3c(-c4ccccc4)oc(-c4ccccc4)c3cc2C1=O 1581892 VQPZBGCVGJXMAL-UHFFFAOYSA-N 378.427 6.482 30 40 GKEB C=C(C)C(=O)Nc1sc(C)c(-c2ccc(C(C)(C)C)cc2)c1C(=O)OC(C)C 2775221 FISKMLOSTAFNDJ-UHFFFAOYSA-N 399.556 6.101 30 40 GKEB C(=N/Nc1nc2ccccc2s1)\C1=C(c2ccccc2)Oc2ccccc2O1 3194740 JLLAYDHWOPMADN-OEAKJJBVSA-N 385.448 5.534 30 40 GKEB FC(F)(F)c1nc2ccccc2nc1N/N=C/c1ccc(Cl)cc1Cl 4090975 NXQOFSCFMTYQOJ-GZIVZEMBSA-N 385.176 5.401 30 40 GKEB C/C(=N\NC(=S)NC1CCCCC1)c1ccc2c(c1)Nc1ccccc1S2 5659488 GUUZDHSAOVHAEP-ZVHZXABRSA-N 396.585 5.416 30 40 GKEB CC(C)[C@H](c1ccc(Cl)cc1)[C@@H](C#N)c1cccc(Oc2ccccc2)c1 5761394 XTIPCTXNTSRYDV-BJKOFHAPSA-N 375.899 7.179 30 40 GKEB O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1)c1ccc(Cl)cc1 6188350 YRVXOSOINMTCFR-FQEVSTJZSA-N 389.838 5.123 30 40 GKEB CC1(C)[C@@H]2CC=C(/C=N/NC(=S)Nc3ccc(SC(F)F)cc3)[C@H]1C2 8025574 PXUAVPICMYRWHS-OSMTUGCCSA-N 381.517 5.266 30 40 GKEB COc1ccc(Br)c(/C=N\c2cc(-c3ccccc3)ccc2O)c1O 16215703 KGCKSSIEWITCDJ-UUYOSTAYSA-N 398.256 5.287 30 40 GKEB COc1ccc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)cc1 59949072 RTEAXKKVOVJRJR-DJOYVXLESA-N 390.464 5.092 30 40 GKEB CCCCCCCC/C=C/CCCCCCCC(=O)NCCN1CCCCC1 104110106 CXQLAPZPEQBSGL-MDZDMXLPSA-N 392.672 6.626 30 40 GKEB Cc1ccc(/C=C2\C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)o1 118916234 MWZAYFFYSWKEHF-OVHVHYDJSA-N 380.528 5.474 30 40 GKEB CC(C)Oc1cccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1 408628851 DKZYVWDFGPZXHQ-MRXNPFEDSA-N 396.556 5.810 30 40 GKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1ccc(N2CCCCC2)cc1 409104813 FRNSSRGOWGNBTO-YDZHTSKRSA-N 392.381 5.050 30 40 GKEB O=C1CCCC2=C1[C@@H](c1cccs1)CC(=O)N2c1cccc(C(F)(F)F)c1 1080466 BVZPIVSRDJTARG-CQSZACIVSA-N 391.414 5.295 30 40 GKEB O=C1N/C(=N/c2ccccc2)S/C1=C\c1ccc(OCc2ccccc2)cc1 3030040 MJPNOISTGWSNBA-QNGOZBTKSA-N 386.476 5.157 30 40 GKEB O=C(O)c1cc(N/N=C/c2cccc(OCc3ccccc3)c2)ccc1Cl 4920129 AFCKKWWMOMCCBZ-YDZHTSKRSA-N 380.831 5.063 30 40 GKEB Cc1ccccc1/N=C(\c1ccccc1)N(Cc1ccccc1)c1ccccc1 5589902 NVQXWXDZFROXJK-BYYHNAKLSA-N 376.503 6.780 30 40 GKEB Clc1cccc(-c2ccc(/C=N/c3c(-c4ccco4)nc4ccccn34)o2)c1 5642883 YFKIGYITYKRPAR-ZVHZXABRSA-N 387.826 6.258 30 40 GKEB CCc1ccc(/N=C2\NC(=O)[C@@H](Cc3cccc(Cl)c3Cl)S2)cc1 5809672 GNXWTWCQPJJQKS-OAHLLOKOSA-N 379.312 5.018 30 40 GKEB CCc1ccc(/N=C/c2cc(Br)c(O)c(Br)c2)cc1 8084188 AAZICHZKUOSMDA-GIJQJNRQSA-N 383.083 5.230 30 40 GKEB C[C@@H](CN(C)C)C(/C=C/c1ccc(Cl)c(Cl)c1)=N\Nc1ccccc1 17174870 MHXJNMINLOJZPT-KUJPKONESA-N 376.331 5.672 30 40 GKEB CSC1=N/C(=N/c2c(C)cccc2C)C2(CCCCC2)N1c1cccc(C)c1 18116099 CVMNVPYCYBBXNQ-YYDJUVGSSA-N 391.584 6.584 30 40 GKEB Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2)cc1 18126221 PKETZANZSOHIEC-IBVKSMDESA-N 380.491 5.975 30 40 GKEB O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(-c2ccc(F)cc2)o1 59105823 PMTPCOQGTWJNFZ-WOJGMQOQSA-N 382.391 5.116 30 40 GKEB CO[C@H](C)c1nc(CN(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cs1 72311042 QPZZLEOVUBXRFR-MRXNPFEDSA-N 395.503 5.064 30 40 GKEB CCCCCCCCCCCC(=O)NCCC[N+](C)(C)Cc1ccccc1 100552769 HZGSAOOKKTWOMX-UHFFFAOYSA-O 375.621 5.690 30 40 GKEB C=CCOc1c(Cl)cc(Cl)cc1/N=N/c1ccc(Br)cc1 101056576 GKSHXFKTOZJFON-FMQUCBEESA-N 386.076 6.736 30 40 GKEB CCCCCCCOc1ccccc1/C=C1\N=C(c2cccc(Cl)c2)OC1=O 101387334 SFRWWNJHFMEVIQ-SILNSSARSA-N 397.902 6.034 30 40 GKEB COC(=O)c1cc(/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)ccc1Cl 408738039 MIZSGPKMNKTLCL-WYMPLXKRSA-N 384.838 5.424 30 40 GKEB Cc1ccc(-n2c(C)cc(/C=N\c3ccc(Cl)c([N+](=O)[O-])c3)c2C)cc1C 408742792 YEKIKBALLOCWPB-FMCGGJTJSA-N 381.863 6.023 30 40 GKEB Cc1c(C=C2C(=O)c3ccccc3C2=O)c2ccccc2n1Cc1ccccc1F 408914388 PSHVJDGNASFHSL-UHFFFAOYSA-N 395.433 5.600 30 40 GKEB Oc1ccc(/C=N/c2ccc(-c3ccccc3)cc2)cc1I 408963792 PJIAYQJNOGFFRN-FYJGNVAPSA-N 399.231 5.414 30 40 GKEB CCCCCCCCNC(=O)c1ccc2sc3nc4ccccc4nc3c2c1 408976741 SXBXTZRRFCVAAS-UHFFFAOYSA-N 391.540 6.088 30 40 GKEB FC(F)(F)c1ccc(N/N=C/c2ccc(Sc3ccc(Cl)cc3)o2)nc1 409104393 YVKWLNPELAHEEJ-AUEPDCJTSA-N 397.809 5.944 30 40 GKEB C=CCc1cc(CNc2ccccc2)cc(OC)c1OCc1ccccc1Cl 409109841 MMUKRTGRVPBUFL-UHFFFAOYSA-N 393.914 6.268 30 40 GKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)c2C#N)C1 2741608 XKBWWNIDMNDCKU-UHOSZYNNSA-N 392.568 5.903 30 40 GKEB COc1ccccc1/C=N/Nc1nc(-c2ccccc2)c2cc(Cl)ccc2n1 4078903 ZEQDYEPGMPABEY-ZVHZXABRSA-N 388.858 5.405 30 40 GKEB N#Cc1ccc(CSc2nnc(Cc3ccccc3)n2C2CCCCC2)cc1 4130543 LXSLLIDLJIKLRJ-UHFFFAOYSA-N 388.540 5.538 30 40 GKEB Cc1nn(-c2ccccc2)c2c1[C@H](c1cccs1)C1=C(CC(C)(C)CC1=O)N2 4180673 RKVUDPYXSDNHIF-NRFANRHFSA-N 389.524 5.443 30 40 GKEB CCOc1ccccc1NC(=O)c1c(/N=C/c2ccncc2)sc2c1CCC2 4545643 BMMYGZIBTIUNMQ-ZVHZXABRSA-N 391.496 5.033 30 40 GKEB O=C(O)c1ccc(-c2ccc(/C=N/Nc3nc4ccccc4s3)o2)cc1Cl 4679921 RRQRURQQXMBXMD-UFFVCSGVSA-N 397.843 5.354 30 40 GKEB Fc1ccccc1/C=N/Nc1nc(-c2ccccc2)c2cc(Cl)ccc2n1 4812307 TZNQDFJRURZXPQ-ZMOGYAJESA-N 376.822 5.535 30 40 GKEB COc1c(Cl)cc(Cl)cc1/C=N/Nc1c(F)c(F)c(F)c(F)c1F 5511910 HZXFQRFBZFLVSZ-LKNXVUQUSA-N 385.119 5.144 30 40 GKEB N#Cc1ccccc1CSCC(=O)N(Cc1ccccc1)Cc1ccccc1 6508887 QVVOQCHCILEZLN-UHFFFAOYSA-N 386.520 5.020 30 40 GKEB CCOc1ccc(/N=C/c2ccc(OCc3cccc4ccccc34)cc2)cc1 6962582 IDHUBVFELUVEDE-OVVQPSECSA-N 381.475 6.568 30 40 GKEB COc1cc(/C=N/c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 8111104 KPBZSTRNOTWARS-ZMOGYAJESA-N 386.278 6.332 30 40 GKEB O=C1NC(=Nc2cccc(Cl)c2)S/C1=C\c1ccc(N2CCCCC2)cc1 408962227 XLCGSNIOZICBJF-UYRXBGFRSA-N 397.931 5.222 30 40 GKEB COc1ccc(Cl)cc1/N=C/c1cccn1-c1cccc(Br)c1 409017070 DXHKUMONNYECCN-CIAFOILYSA-N 389.680 5.652 30 40 GKEB O=C(C1=C(N2CCCC2)CCc2ccccc21)c1cccc(Br)c1 721426 IIRJQWDJKLERDY-UHFFFAOYSA-N 382.301 5.085 30 40 GKEB Cc1ccc(/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2Cl)cc1 3117312 CPBNBQGNFKLBRU-ZMOGYAJESA-N 384.262 6.272 30 40 GKEB N#Cc1cc2c(nc1SCC(=O)c1ccc(Cl)cc1Cl)CCCCC2 4116222 KNYJCTLHKGBHOV-UHFFFAOYSA-N 391.323 5.504 30 40 GKEB C/C(=N\Nc1nc(-c2ccc(C)cc2C)cs1)c1cc2ccccc2oc1=O 4957179 ZGEGWWROZRMOKM-BUVRLJJBSA-N 389.480 5.369 30 40 GKEB CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccccc1 5003049 IBRKKOLUEFQTNT-QHQVFXOCSA-N 395.553 5.461 30 40 GKEB C=C1CC[C@@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@@H](C)CCCC(C)C 5380451 QYSXJUFSXHHAJI-RYANTQFCSA-N 384.648 7.619 30 40 GKEB biogenic,in-vitro O=C(/C=C\c1ccccc1)Oc1ccc(C(=O)/C=C\c2ccc(Cl)cc2)cc1 5843048 USUVUSDICXDFMW-JCDHFMOQSA-N 388.850 5.855 30 40 GKEB CC(=O)c1ccc(N(C(=O)c2cccc(C#N)c2)c2nc3ccccc3s2)cc1 7593655 KDMCZQTVVPOOIZ-UHFFFAOYSA-N 397.459 5.349 30 40 GKEB CCOc1cc(/C=N/c2ccc(CC)cc2)ccc1OCc1cccc(F)c1 8084912 NEHYZOXAXDSNBF-WGOQTCKBSA-N 377.459 6.116 30 40 GKEB N#Cc1c(CSc2nn(-c3ccc(F)cc3)c(=S)s2)cn2ccccc12 48300345 ZVHOQMFUZZDMCN-UHFFFAOYSA-N 398.513 5.219 30 40 GKEB CCOC(=O)c1ccc(/N=C/c2cccn2-c2ccc(Br)cc2)cc1 59678182 BHHCVXSKLCYOHV-HYARGMPZSA-N 397.272 5.167 30 40 GKEB CCCCCCCCCCOc1ccc(NC(=O)NCc2ccccn2)cc1 100284915 JJIVEKUOLZQJJR-UHFFFAOYSA-N 383.536 5.923 30 40 GKEB COc1ccc([C@H](CC/N=C/c2ccccc2O)[C@H]2CCOC(C)(C)C2)cc1 100744435 MFJRMYNIXYXNOJ-YXNQUENUSA-N 381.516 5.199 30 40 GKEB biogenic C=CCOc1cccc(NC(=S)NCCCc2cccc3ccccc23)c1 225809279 OYSYBRJTXKHLSK-UHFFFAOYSA-N 376.525 5.324 30 40 GKEB O=C(Nc1cccc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1)c1ccc(F)cc1 3140527 KRMWTDIKSRHMND-FSJBWODESA-N 397.793 5.390 30 40 GKEB N#Cc1ccccc1Sc1ccccc1C(=O)NCc1ccc(Cl)cc1 3278493 CAVPWNSVTNSRMV-UHFFFAOYSA-N 378.884 5.293 30 40 GKEB O=C1/C(=C\c2ccc(C(F)(F)F)cc2)[C@H](c2ccccc2)Oc2ccccc21 3324115 UEQXYDVCJHDGTP-SLTDHEAWSA-N 380.365 6.105 30 40 GKEB O=C1C=CC2=N[C@]34CCCC[C@H]3[C@@H](c3ccccc3)C=C(c3ccccc3)N4C2=C1 4024541 LHJUMCYFYYQTPP-KHVXQDHOSA-N 392.502 5.491 30 40 GKEB biogenic C[C@@H]1CCc2sc(NC(=O)c3sc4ccccc4c3Cl)c(C#N)c2C1 5193544 HQESKPKTNOQWLT-SNVBAGLBSA-N 386.929 5.865 30 40 GKEB CCN(Cc1ccccc1)c1ccc(/C=N/Nc2ccc(C)c(Cl)c2)cc1 5609593 XVPFIZRCBBFIHA-PCLIKHOPSA-N 377.919 6.121 30 40 GKEB O=C(O/N=C(\c1ccc(F)cc1)c1cccnc1)c1ccc(Cl)c(Cl)c1 5769329 XGQNOJWXYPXUPM-HKOYGPOVSA-N 389.213 5.137 30 40 GKEB CCc1cccc(C)c1/N=C1\NC(=S)N(c2cccc(O)c2)C12CCCCC2 5794879 OMIGZCVGTMUFKK-UHFFFAOYSA-N 393.556 5.391 30 40 GKEB C=CCOc1c(Cl)cc(CNc2ccc(Br)cc2)cc1OCC 6630752 NUBYPAZBVKCBAF-UHFFFAOYSA-N 396.712 5.678 30 40 GKEB CCOc1cc(/C=N/c2cccc(Cl)c2C)ccc1OCc1ccc(F)cc1 6961335 PCLXZZYROKSUOM-VULFUBBASA-N 397.877 6.516 30 40 GKEB CC[C@@H](C)c1ccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 7072892 JGYHBIJQEKLTSK-HUUCEWRRSA-N 382.529 5.276 30 40 GKEB COc1cc(/C=N/c2ccccc2-c2nc3ccccc3[nH]2)cc(OC)c1OC 12970043 VLIRGSJVCILXKY-ZVHZXABRSA-N 387.439 5.006 30 40 GKEB CCOc1ccc(/N=C\c2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1 104160282 GHGGYFYWDPXANK-JLPGSUDCSA-N 375.424 5.064 30 40 GKEB Cc1ccc(N=C2NC(=O)/C(=C/c3cccc(Cl)c3Cl)S2)cc1Cl 408738750 NQEZAAAWHFNAAX-AUWJEWJLSA-N 397.714 5.847 30 40 GKEB O=C(/C=C/Nc1ccccc1Oc1ccccc1)c1ccc(Cl)cc1Cl 409060493 WJDCBCPOLVAFIV-OUKQBFOZSA-N 384.262 6.594 30 40 GKEB CC1=NOC(=O)/C1=C\c1cc(Cl)c(OCc2cccc(Cl)c2)c(Cl)c1 409083076 RWFUMLGSCOCVFD-NSIKDUERSA-N 396.657 5.542 30 40 GKEB CCCN1C(=O)/C(=C/c2ccc(CC)cc2)S/C1=N/c1ccc(Cl)cc1 409092753 WGHHYFULTYYKMY-QUUARBKMSA-N 384.932 5.916 30 40 GKEB COc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccccc1F 409210036 KMXPSLABNQNYQQ-LGJNPRDNSA-N 397.877 6.434 30 40 GKEB C=CCn1c(-c2ccc(Cl)cc2)csc1=Nc1ccc(C(=O)OCC)cc1 584906148 PAXHAZFTNSSBJA-UHFFFAOYSA-N 398.915 5.465 30 40 GKEB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@@]2(O)C#Cc1ccccc1 2049238364 LZYLYVQWNIUJNH-HBQDWTMMSA-N 392.583 5.173 30 40 GKEB C=C1CC[C@@H](O)C/C1=C\C=C1/CCC[C@]2(C)[C@H]([C@@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]12 4492865 MECHNRXZTMCUDQ-ZXMITPPBSA-N 396.659 7.641 30 40 GKEB Clc1ccc2nc(N/N=C/c3ccc(Cl)o3)nc(-c3ccccc3)c2c1 4595243 CHAALQARKBBWSV-SSDVNMTOSA-N 383.238 5.643 30 40 GKEB Cc1ccc(-c2ccc(/C=C/C(=O)c3ccc(-c4ccccc4Cl)o3)o2)cc1 4668763 MMYYYYWSJCEAQM-ZRDIBKRKSA-N 388.850 7.065 30 40 GKEB N#Cc1ccc(C23CC4CC(CC(C4)C2)C3)nc1SCC(=O)c1ccccc1 4734527 XSDUJTDZEMJZAT-UHFFFAOYSA-N 388.536 5.396 30 40 GKEB Cc1cc(/C=N/Nc2nc(-c3ccc(F)cc3)cs2)c(C)n1-c1ccccc1 5578275 YIXZCTUBKZORTR-ZMOGYAJESA-N 390.487 5.803 30 40 GKEB Clc1ccc(-c2ccc(/C=N/Nc3nc4ccccc4s3)o2)c(Cl)c1 5605075 UFABFIHNEVKSRH-UFFVCSGVSA-N 388.279 6.309 30 40 GKEB CCN1c2ccc(/C=N/c3ccc(Br)cc3)cc2C(C)=CC1(C)C 198159776 AGCIYUVEWGQIDP-OEAKJJBVSA-N 383.333 6.222 30 40 GKEB C=CCSc1ccccc1C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219817408 SSGQRRSVAKQLHJ-RTBURBONSA-N 394.584 5.692 30 40 GKEB N#Cc1cn(C(=O)c2cccc3c(Br)cccc23)c2ccccc12 226361506 NBEVJOPRJYHKBJ-UHFFFAOYSA-N 375.225 5.117 30 40 GKEB COc1ccccc1CCC(O)=Nc1ccc2c(c1)nc(C)n2-c1ccccc1 328590320 DHYRANWUNHBHAF-UHFFFAOYSA-N 385.467 5.563 30 40 GKEB Cc1ccc(C(=O)/C=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1 408692282 JASQEZHMEMJZBZ-DHZHZOJOSA-N 384.306 6.605 30 40 GKEB Cc1cc(/C=N/c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(Br)cc1 408738536 LQJIQYVVZFZTRC-CIAFOILYSA-N 398.260 5.515 30 40 GKEB Cc1ccc(/N=C\c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1C 408799995 MMNXDBCTAWUKKQ-QFEZKATASA-N 376.431 5.211 30 40 GKEB C=CCOc1c(Br)cc(Br)cc1CNc1ccccc1 409112004 AIJXNBXZPLBORB-UHFFFAOYSA-N 397.110 5.389 30 40 GKEB CCn1c(/C=N/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2ccccc21 2157312 FSGFUVJKHXYHAO-MFKUBSTISA-N 377.532 6.107 30 40 GKEB CCCCCCCCn1cc(OC(C)=O)c2c1nc(C)n1c3ccccc3nc21 2442619 PERXHYXYGDFZNE-UHFFFAOYSA-N 392.503 5.431 30 40 GKEB CCOC(=O)/C(=C\c1ccc(-c2ccccc2Cl)o1)C(=O)c1ccccc1 5247263 WGKJIKKLDHIBMM-JXAWBTAJSA-N 380.827 5.429 30 40 GKEB C=CCn1c(SCc2ccc(C)cc2)nnc1-c1ccc(C(C)(C)C)cc1 5478438 XZBFUJZJDSXGNF-UHFFFAOYSA-N 377.557 6.029 30 40 GKEB CC1=C(C(=O)c2ccc(Cl)cc2)[C@@H](c2c(Cl)cccc2Cl)NC(=O)N1 5870101 NHFWTXVWFHYANN-INIZCTEOSA-N 395.673 5.158 30 40 GKEB COc1cc(/C=N/c2ccccc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 8111142 ZWEIRPCOZNOPKL-YDZHTSKRSA-N 396.830 5.586 30 40 GKEB CC(C)CC(=O)C1=C(N)[C@H]2C(c3ccccc3)=CC(c3ccccc3)=N[C@@H]2S1 95117473 OTSZEYQCHPHPKW-ZJSXRUAMSA-N 388.536 5.048 30 40 GKEB CCCCCC1CCC(C(=O)ON2C(=O)c3cccc4cccc(c34)C2=O)CC1 104417088 UIGUFRHGPDMYIZ-UHFFFAOYSA-N 393.483 5.281 30 40 GKEB CCCCCCCC[Si](C)(CCCCCCCC)CCCCCCCC 195761304 BFDGJEUDNIUNFM-UHFFFAOYSA-N 382.793 10.147 30 40 GKEB CCn1c2ccccc2c2cc(C=NN(c3ccccc3)c3ccccc3)ccc21 299888269 CEAPHJPESODIQL-UHFFFAOYSA-N 389.502 6.987 30 40 GKEB CCCN1C(=O)/C(=C\c2ccc(OC)c(C)c2)S/C1=N\c1ccc(C)cc1 408910627 ITROFEGKNLPLMC-QNQNADBQSA-N 380.513 5.326 30 40 GKEB Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1C 409211873 OKQAWUJJJIRWDL-DHRITJCHSA-N 384.306 6.940 30 40 GKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N\c2ccc(Cl)c(C(=O)O)c2)cc1OC 409380497 FRRDKTJQZARSGX-FEJWEZRGSA-N 396.270 5.628 30 40 GKEB C=C1CC[C@@H](O)C/C1=C\C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C\[C@H](C)C(C)C 1772490891 MECHNRXZTMCUDQ-IJMRUNDYSA-N 396.659 7.641 30 40 GKEB N#Cc1c(Nc2ccccc2)sc(C(=O)c2ccc(-c3ccccc3)cc2)c1N 688329 HGNULFKGCATAPQ-UHFFFAOYSA-N 395.487 5.844 30 40 GKEB CC(C)c1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccccc2)cc1 1438432 JLXLNEWDOQBMDW-OAQYLSRUSA-N 387.435 5.186 30 40 GKEB CCCCCCCOc1ccc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)cc1 3042561 JOSKOCXPTDUTKR-PGMHBOJBSA-N 397.902 6.034 30 40 GKEB O=C(/C=C/c1ccc(Br)cc1)c1ccccc1OCc1ccccc1 5279080 VCACIBSDCCBXGX-NTCAYCPXSA-N 393.280 5.924 30 40 GKEB COc1ccc(/C=N/CC[C@H](c2ccc(OC)cc2)[C@@H]2CCOC(C)(C)C2)cc1 5425134 YNWBONWELXGPNC-DDAJKSLGSA-N 395.543 5.502 30 40 GKEB O=C1CCCC2=C1[C@@H](c1ccc(Cl)c(Cl)c1)Sc1ccccc1N2 7449812 NFYDECGOKIQGMC-LJQANCHMSA-N 376.308 6.259 30 40 GKEB Cc1ccc(/N=C/c2cc(Br)ccc2OCc2cccc(F)c2)cc1 8371830 JZNYUSIPMLJGPD-ZMOGYAJESA-N 398.275 6.226 30 40 GKEB CC(C)CC(=O)C[C@@H](c1ccccc1)[C@H](C(=O)/C=C/c1ccccc1)C(C)C 17128646 GXELYPUYAMBBKI-TXZXEOSYSA-N 376.540 6.330 30 40 GKEB COc1ccc(/C(=C/Nc2ccc(Oc3ccccc3)cc2)C(C)=O)cc1OC 100301558 DJQBUTCVNIUKOJ-CJLVFECKSA-N 389.451 5.538 30 40 GKEB Cc1ccc(Sc2oc(/C=N\c3ccccc3O)cc2Br)cc1 101751497 NJCDQSBLTRMBDD-JAIQZWGSSA-N 388.286 5.958 30 40 GKEB N#Cc1ccccc1CO/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1 408594510 HQDQCHQCVPSZLY-ZVHZXABRSA-N 378.884 5.914 30 40 GKEB N#Cc1nc(-c2cccc3ccccc23)oc1NCc1cccc2ccccc12 526052518 WYZLDCJRXRSLRG-UHFFFAOYSA-N 375.431 6.132 30 40 GKEB CN(CC#C[C@@]1(C)CC[C@H]2[C@@H](O1)c1ccccc1OC2(C)C)Cc1ccccc1 2100938 VSJACZVSLVSJHV-GVUKDKGQSA-N 389.539 5.219 30 40 GKEB C=CCN1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S 2282638 VIMFBPZAZJQDSI-DHDCSXOGSA-N 396.320 5.641 30 40 GKEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4C[C@]5(C)C[C@H]4CC(C)(C)C5)[C@H]3C[C@@H]12 4026852 VXTVLBRGOQKEPU-CFJIYAGKSA-N 385.592 5.201 30 40 GKEB COc1ccc(/N=N/c2sc(/C(C#N)=N/Nc3ccc(F)cc3)nc2C)cc1 4292809 DODZUSIOXRIEBS-RUKUNDOWSA-N 394.435 5.354 30 40 GKEB O=C(O)c1ccc(N/N=C/c2cccc(OCc3cccc4ccccc34)c2)cc1 5531248 NBUFBNMUFSNSDU-WGOQTCKBSA-N 396.446 5.563 30 40 GKEB CCCCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(OCC)cc3)S2)cc1 5551646 CMWTTZNRCJWLCR-HKWRFOASSA-N 380.513 5.320 30 40 GKEB COc1ccc([N+](=O)[O-])cc1-c1nc(-c2ccc(C#N)cc2)[nH]c1-c1ccccc1 6282488 OFWNWCHXWHNREV-UHFFFAOYSA-N 396.406 5.199 30 40 GKEB C(=N/c1cccc(/N=C/c2ccc3ncccc3c2)c1)\c1ccc2ncccc2c1 9443461 MFAXSPUTYSKJEO-YAGSLNJISA-N 386.458 6.284 30 40 GKEB O=[N+]([O-])c1cc(Cc2ccccc2)cc(/C=N/C23CC4CC(CC(C4)C2)C3)c1O 36005103 AQXCYDUGFAOTOS-MFKUBSTISA-N 390.483 5.279 30 40 GKEB CCCCCCCCCCNC(=O)[C@@H](Sc1ccccc1)c1ccccc1 97942936 XSHJYPYTGUBQSQ-QHCPKHFHSA-N 383.601 6.777 30 40 GKEB C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)N(Cc1cccnc1)Cc1ccccc1OC)C2 100731370 FZSILBDNDZMALB-SQJMNOBHSA-N 390.527 5.002 30 40 GKEB CCCCCCCCCC[C@H](SCCCC)C(=O)c1cc(C)ccc1O 100931370 OVPFYYUKBGMDTI-QFIPXVFZSA-N 378.622 7.316 30 40 GKEB CCCCCCCCCCCCCCCCCCSC1=NCCCN1C 102596756 NJZRRKHTWJGZEZ-UHFFFAOYSA-N 382.702 7.673 30 40 GKEB C=CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)Cc3ccccc3C2)cc1 225933525 WFVWGACSWJKRDK-UHFFFAOYSA-N 383.491 5.235 30 40 GKEB Cc1ccc(/C=C2/C[C@@H]3[C@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)o1 252515704 MWZAYFFYSWKEHF-CRPCKSDGSA-N 380.528 5.474 30 40 GKEB CCCCCCOc1ccccc1/C=C1\SC(=Nc2ccccc2)NC1=O 408880293 HDHLDZRWWTVYPE-SILNSSARSA-N 380.513 5.537 30 40 GKEB N#Cc1c(/N=C/c2c(O)ccc3ccccc23)oc(-c2ccoc2)c1-c1ccco1 712464 MYVMFZZNOVAZOS-LGJNPRDNSA-N 394.386 6.281 30 40 GKEB COc1ccc(/C=C2\CCc3ccccc3C2=O)cc1COc1cccc(C)c1C 2233173 CMIXPQABZKOAKB-PXLXIMEGSA-N 398.502 6.104 30 40 GKEB Cc1ccccc1/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1Cl 3117315 JHCJVLGLFUXWGL-ZMOGYAJESA-N 384.262 6.272 30 40 GKEB CCc1ccc2c(CC(C#N)(c3ccccc3)c3ccccc3)cc(=O)oc2c1 3323979 MLUKFLWNRDHSHR-UHFFFAOYSA-N 379.459 5.408 30 40 GKEB COc1ccc(Cl)cc1N/N=C(\C#N)c1nc(-c2ccc(C)cc2C)cs1 4175550 SCWXZLXHBVABGA-KOEQRZSOSA-N 396.903 5.429 30 40 GKEB CC(C)(C)c1cc(C2CCCCC2)cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)c1O 5481498 VINIYDHKZRKNGL-BUVRLJJBSA-N 395.503 6.092 30 40 GKEB COc1cccc(NC(=S)N/N=C(/C)c2ccc(C3CCCCC3)cc2)c1 5975731 KZZZLRCGQBOQNC-JLPGSUDCSA-N 381.545 5.454 30 40 GKEB CCCCCOc1ccccc1/C=N/N=c1/[nH]c(-c2ccc(C)cc2)cs1 11992243 ATOJLEAZHYIJAD-HZHRSRAPSA-N 379.529 5.555 30 40 GKEB CCN(CC)c1ccc(N=C(C(=O)c2ccccc2)C(=O)c2ccccc2)cc1 16678538 YMODFEMBYRRTTH-UHFFFAOYSA-N 384.479 5.371 30 40 GKEB COc1ccc(/C=C\C(=O)c2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1 33376543 FJPBIFLQMLXVKN-GDNBJRDFSA-N 389.407 5.079 30 40 GKEB CC(C)N(CC#CC[C@@](O)(c1ccccc1)C1CCCC1)Cc1ccccc1 57284714 KKXBTQQZUDEKSQ-AREMUKBSSA-N 375.556 5.369 30 40 GKEB Cc1c(/C=C/C(=O)c2ccccc2)c2ccccc2n1Cc1ccccc1Cl 408620880 KLNZSHNKRFSODC-FOCLMDBBSA-N 385.894 6.548 30 40 GKEB C/C(=N\Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc(C)cc1 408924513 OXMAHHZVPFIEPE-WSDLNYQXSA-N 376.312 6.261 30 40 GKEB C=CCn1c(COc2c(C)cccc2C)nnc1SCc1ccc(F)cc1 409350334 XXZWEVUWTKVXBD-UHFFFAOYSA-N 383.492 5.091 30 40 GKEB COc1ccccc1/C=N/Nc1nc(-c2ccc(Cl)cc2Cl)cs1 4980088 SZUVIKQUDGSFAU-AWQFTUOYSA-N 378.284 5.572 30 40 GKEB C#CCSc1nc2c(c(=O)n1CC(C)C)C1(CCCCC1)Cc1ccccc1-2 5111328 MSMZMEDBVQNSAA-UHFFFAOYSA-N 392.568 5.050 30 40 GKEB C#CCOc1c(Cl)cc(CNc2ccc(Br)cc2)cc1Cl 6295355 XJNJHJKWJOSTHK-UHFFFAOYSA-N 385.088 5.380 30 40 GKEB O=C(Nc1ccccc1)Oc1ccc(/C=N/Sc2cccc([N+](=O)[O-])c2)cc1 17062368 GTEIUCQTEBXUQR-KGENOOAVSA-N 393.424 5.332 30 40 GKEB CC(C)c1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3cc4c(cc32)OCO4)cc1 18197525 TWBGMXNEADDIOW-HSZRJFAPSA-N 389.495 5.739 30 40 GKEB CC(C)=N/N=C1\c2ccccc2C(=O)[C@@H]1C(=O)C(c1ccccc1)c1ccccc1 100080604 AGSDZTBXEYDVJT-LCQNATCMSA-N 394.474 5.085 30 40 GKEB Cc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1 408866582 HEZXUUVVKVTWGX-SOMZIKAXSA-N 390.552 6.178 30 40 GKEB CCc1ccc(/N=C/c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)cc1 408940981 JFALCQBHILXGLG-ZMOGYAJESA-N 380.875 5.759 30 40 GKEB Fc1ccccc1COc1ccccc1/C=N/c1ccc(Oc2ccccc2)cc1 409200630 JAMGCPSNBPVFJS-MTDXEUNCSA-N 397.449 6.948 30 40 GKEB CCOC(=O)c1cccc(/N=C\c2cc(Cl)c(O[C@H](C)CC)c(OC)c2)c1 409378981 TWMMMFMZTNDKCX-CIKLGQITSA-N 389.879 5.453 30 40 GKEB CCCCCCCC(=O)Oc1ccc2c3c(cccc13)C(=O)N(CCC)C2=O 575449257 UHPZBBSXNMQEFY-UHFFFAOYSA-N 381.472 5.112 30 40 GKEB in-vitro CC1=C(C(=O)c2ccccc2)[C@@H](c2cccc(C)c2)n2c(nc3ccccc32)N1 1431396 GLOXFZMAFBALMA-HSZRJFAPSA-N 379.463 5.517 30 40 GKEB O=C1C2=C(Nc3ccccc3S[C@H]2c2cccc([N+](=O)[O-])c2)c2ccccc21 2431045 OLHPSNSBRINYRU-QFIPXVFZSA-N 386.432 5.461 30 40 GKEB O=C(/C=C/Nc1ccc(F)cc1Br)c1ccc(-c2ccccc2)cc1 4544697 JLQSVWXZVAEWBV-OUKQBFOZSA-N 396.259 6.064 30 40 GKEB Cc1ccc(-c2nc3cc(/N=C/c4cc(Cl)cc(C)c4O)ccc3o2)cc1C 6503790 SMDCEAISPPWFPF-BRJLIKDPSA-N 390.870 6.530 30 40 GKEB Cc1noc2c1[C@H](c1ccc(Cl)cc1Cl)C1=C(CC(C)(C)CC1=O)N2 21660300 HGEDOJKAJDKNKU-INIZCTEOSA-N 377.271 5.490 30 40 GKEB CCCCCCCCc1ccc(Nc2ccc(CCCCCCCC)cc2)cc1 95866665 QAPVYZRWKDXNDK-UHFFFAOYSA-N 393.659 9.236 30 40 GKEB in-vitro CCCCCCCCCCCCCCOC(=O)C[N+](C)(C)Cc1ccccc1 100923968 FMWOTXOPCSROSI-UHFFFAOYSA-N 390.632 6.507 30 40 GKEB CCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1C#N 225685177 ZIAMSRSTGDGWMX-UHFFFAOYSA-N 396.918 5.841 30 40 GKEB Cc1ccc(S(=O)(=O)Oc2cccc(/C=N\c3cc(C)ccc3C)c2)cc1 409217109 RTABHQHWMQIMJP-HAHDFKILSA-N 379.481 5.130 30 40 GKEB Cc1ccc(/C=N/c2oc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c2C#N)cc1 409357887 KOJFXDNYWUOFPE-STBIYBPSSA-N 390.486 7.161 30 40 GKEB Cc1ccccc1/N=C1\S[C@@H](C)CN1C(=O)Nc1ccc(Cl)c(Cl)c1 855924 APVRCLTWNMVBFB-PLGGJAHISA-N 394.327 5.959 30 40 GKEB COc1ccc(/C=C/C(=O)c2ccc(O)cc2)cc1COc1cccc(C)c1C 4812798 QSNSYONOAUIYGL-NTUHNPAUSA-N 388.463 5.493 30 40 GKEB O=[N+]([O-])c1ccc(N/N=C2\CCC[C@@H]3CC=C4CCCC[C@H]4[C@H]23)c([N+](=O)[O-])c1 5002488 RFHIUHRDJRIZSE-LYUVOZDBSA-N 384.436 5.208 30 40 GKEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccc(O)cc1)Nc1ccccc1N2 5092440 WWAVCBOISREDOL-BVZFJXPGSA-N 382.463 5.372 30 40 GKEB Cc1ccc(N/N=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)cc1Cl 5173488 FZOKBYHCDDINQT-LSHDLFTRSA-N 389.238 5.706 30 40 GKEB N#Cc1cccc(CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c1 5990044 DRKZLARLWOCNRE-UHFFFAOYSA-N 380.476 5.370 30 40 GKEB N#Cc1ccc(C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1 14604159 LENICMIVHFIVAL-UHFFFAOYSA-N 388.279 5.165 30 40 GKEB CC(=O)n1nc(-c2ccccc2)c(Cl)c1C(F)(F)C(F)(F)C(F)(F)F 16158394 MAMHGNWPTBTGQD-UHFFFAOYSA-N 388.670 5.153 30 40 GKEB C=CCOc1c(Br)cc(CNc2ccc(Cl)cc2)cc1OCC 33642033 VURPQYNXGUQPMC-UHFFFAOYSA-N 396.712 5.678 30 40 GKEB CC[C@H](C)c1ccc(/N=C/c2cc(Br)c(N3CCOCC3)o2)cc1 59248731 NXJXBJSISZMIQN-HADWXUJASA-N 391.309 5.143 30 40 GKEB C#CCOc1ccc(CNc2ccc(Br)c(Cl)c2)cc1OCC 408558624 RZOIEUGIYDGECC-UHFFFAOYSA-N 394.696 5.125 30 40 GKEB CCC(C)(C)[C@H]1CCC(=O)/C(=C/Nc2ccc(N=Nc3ccc(C)cc3)cc2)C1 408563616 QGFQSUJAFPXTKE-CJLBSHFLSA-N 389.543 7.512 30 40 GKEB Cc1cc(/C=N\c2ccc(N(C)C)cc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 408853312 RAEDHOZKYXLXLZ-CFRMEGHHSA-N 395.890 5.262 30 40 GKEB CCOc1cc(/C=N/c2oc(C)c(C)c2C#N)cc(Br)c1OCC 408918031 FJLCVOYRBWONKI-UFFVCSGVSA-N 391.265 5.079 30 40 GKEB C=CCc1cc(CNc2ccc(C)cc2C)cc(OC)c1OCc1ccccc1 409121321 WDJUYENSVXTOCD-UHFFFAOYSA-N 387.523 6.232 30 40 GKEB O=C(/C=C/Nc1ccc(Oc2ccccc2Cl)cc1)c1cccc2ccccc12 409183236 SWRNXBHCBUYFON-WUKNDPDISA-N 399.877 7.094 30 40 GKEB C#CCSc1nc2c(c(=O)n1C1CCCC1)C1(CCCC1)Cc1ccccc1-2 2183050 QPNZWJPETPYSLD-UHFFFAOYSA-N 390.552 5.119 30 40 GKEB biogenic CC[C@H]1S/C(=N\N=C\c2cccs2)N(Cc2cccc3ccccc23)C1=O 2372697 WZFBIWBNUYIZAU-HTIXJGPSSA-N 393.537 5.145 30 40 GKEB CCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O 3195418 IEIJXLZPNPQBOU-UHFFFAOYSA-N 379.456 5.005 30 40 GKEB O=C(/C=C/c1ccccc1)Oc1ccc(C(=O)/C=C/c2cccc(Cl)c2)cc1 4118386 IKRDGGIYNRHLAI-KAVGSWPWSA-N 388.850 5.855 30 40 GKEB CCCCOc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 6651105 NUQSYEQGINLOEV-PMFZIYJTSA-N 394.584 6.700 30 40 GKEB N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2c(F)cccc2F)cc1Cl 6864491 BDECDZCACHPQGM-INIZCTEOSA-N 382.797 5.526 30 40 GKEB COc1ccc([C@@H]2C[C@@H]2/C(C)=N/OC(=O)c2c(Cl)cccc2Cl)cc1 12350569 XRJJONMYLWJZHS-LSICZSIJSA-N 378.255 5.338 30 40 GKEB COc1ccc([C@@H]2C[C@@H]2/C(C)=N/Oc2ncc(C(F)(F)F)cc2Cl)cc1 12351067 NQYRSCSHZVNIEC-RDQFQMJXSA-N 384.785 5.321 30 40 GKEB CSc1nc(N[C@@H]2CCCC[C@H]2C)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 19820430 SIQKRTXMYGQOET-DNVCBOLYSA-N 394.588 6.025 30 40 GKEB CC/C(C)=N\Nc1nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2s1 72229778 SBMQKBZTVKBVOI-QFEZKATASA-N 394.544 6.044 30 40 GKEB CCCCCCCC[C@@H]1O[C@H]1CCCCCCCC(=O)N1CCN(C)CC1 104109792 NSJGDYUFCVUWFO-VXKWHMMOSA-N 380.617 5.009 30 40 GKEB Cc1ccc(N=C2S/C(=C\c3ccc(N4CCCC4)cc3)C(=O)N2C)cc1C 408959566 BBMUGQYWLZZDLZ-IRZHRRCCSA-N 391.540 5.137 30 40 GKEB C=CCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCCC3 2066421 UOHSKAPTWAMYST-UHFFFAOYSA-N 382.554 5.303 30 40 GKEB CC[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(C(C)C)cc3)c2C#N)C1 2736586 WUOWSLGLIVTSAF-OQRGYWNNSA-N 378.541 5.910 30 40 GKEB Cc1cccc(/N=C/c2c(O)c(C(=O)Nc3ccccc3C)cc3ccccc23)c1 3067681 WMEYMZGTVSNUOY-JVWAILMASA-N 394.474 6.165 30 40 GKEB Ic1ccc(N=C2c3ccccc3-c3ccccc32)cc1 3170209 SNJZNPTUNGMSDG-UHFFFAOYSA-N 381.216 5.441 30 40 GKEB CCOc1ccccc1/N=C/c1ccc(OCc2ccc(C(=O)OC)cc2)cc1 3525874 UKWXXIDZTDIEGY-PCLIKHOPSA-N 389.451 5.202 30 40 GKEB CC1(C)CC(=O)C2=C(C1)Nc1c(ccc3ccccc13)[C@H]2c1ccc2c(c1)OCO2 4141577 HMHYLSJUZAKNBC-HSZRJFAPSA-N 397.474 5.769 30 40 GKEB COc1cc(OC)cc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1 5383757 BAFHAARFUDTCRG-AWEZNQCLSA-N 398.528 5.040 30 40 GKEB N#Cc1ccc(Oc2cc(Br)c(Cl)c(Br)c2)cc1 7004472 UURDKHMRHOVSKQ-UHFFFAOYSA-N 387.458 5.529 30 40 GKEB S=C(N/N=C/c1c2ccccc2c(Cl)c2ccccc12)Nc1cccnc1 7026644 OKPUQPLKOQBCDT-ZMOGYAJESA-N 390.899 5.362 30 40 GKEB CC[C@@H](C)Cc1c(C)sc2nc(CSCc3ccc(C#N)cc3)[nH]c(=O)c12 7809598 DBCVGLONRFJFCY-CYBMUJFWSA-N 397.569 5.187 30 40 GKEB COc1cc(/C=C/C(=O)Oc2ccc(-c3ccc(C)cc3)cc2)ccc1OCC#N 12602085 JGYUPIBKRQJFPX-MKMNVTDBSA-N 399.446 5.192 30 40 GKEB Cc1nn2c(c1-c1ccccc1)NC1=C(C(=O)C[C@@H](C)C1)[C@@H]2c1ccc(F)cc1 14163642 SLVPOGYBKJKAAY-PSLXWICFSA-N 387.458 5.266 30 40 GKEB O=C(/C=C/c1ccccc1)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(F)cc1 18043153 AIXXTYSNQRMLAS-UUFSLDAJSA-N 399.421 5.008 30 40 GKEB O=C1C2=C(Nc3ccccc3S[C@H]2c2cccc(Cl)c2)c2ccccc21 18179652 ILHKFPUGXJCVJH-QFIPXVFZSA-N 375.880 6.207 30 40 GKEB Cc1nn(C)cc1/C=N/N=C1/CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]12C 98087409 XKGJSFZJELCKIZ-HVSWWIODSA-N 394.607 5.936 30 40 GKEB CCCCCCCCCCOC(=O)/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 100558007 UCKAPJOONJVAKC-JQIJEIRASA-N 399.487 6.552 30 40 GKEB Cc1ccc(C23C[C@@H]4C[C@H](CC(C/N=C\c5ccc([N+](=O)[O-])cc5)(C4)C2)C3)cc1 100846467 IQPOULBKFWKOFY-XNWBBXQYSA-N 388.511 5.860 30 40 GKEB COc1ccc(Oc2ccc(/N=C/c3ccc(O[C@H](C)C(=O)O)cc3)cc2)cc1 408851999 PDGGIEDEBPMVAT-DTVDJLOLSA-N 391.423 5.090 30 40 GKEB C/C(=N/Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1cc(O)ccc1O 409052455 SVAFISMINWJAAM-NKVSQWTQSA-N 394.283 5.364 30 40 GKEB C=CCSc1nc2c(c(=O)n1CC(=C)C)C1(CCCCC1)Cc1ccccc1-2 2372114 XRMSFWDCAARFGG-UHFFFAOYSA-N 392.568 5.523 30 40 GKEB biogenic C[C@H]1CCc2sc(NC(=O)c3cccc(Oc4ccccc4)c3)c(C#N)c2C1 4070083 KSGPIIIFUOBXII-HNNXBMFYSA-N 388.492 5.789 30 40 GKEB N#CCSc1nnc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc23)o1 4325760 GBVOIDSCVMUDFK-UHFFFAOYSA-N 378.844 5.221 30 40 GKEB CCOc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1ccc(OC)cc1OC 6464254 AIMFYWSLRHSUHS-SOFGYWHQSA-N 381.255 5.305 30 40 GKEB CCCn1c(/N=C(\O)c2cc(Br)ccc2Cl)nc2ccccc21 12563886 IKKJJFCLSQUEGO-UHFFFAOYSA-N 392.684 5.499 30 40 GKEB C=CCn1c(SCc2ccccc2Cl)nnc1[C@@H](C)Oc1ccccc1 13850310 QJUFTMYREHAJPP-OAHLLOKOSA-N 385.920 5.550 30 40 GKEB CCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)O 14254121 GFNNQTYRJPFJGX-NRFANRHFSA-N 375.553 5.500 30 40 GKEB Cc1ccc(OCc2ccc(-c3nc(C#N)c(NC4CCCCC4)o3)o2)cc1C 33027064 NTSJPDWNJXBBOL-UHFFFAOYSA-N 391.471 5.747 30 40 GKEB O=[N+]([O-])c1ccc(-c2sc(/N=C/c3ccccc3)nc2-c2ccccc2)cc1 59463651 XKBXGYZWPSAOOI-HZHRSRAPSA-N 385.448 6.136 30 40 GKEB CCCCCCCCCCCC(=O)Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 98001457 BQRRIYFBCQUFGQ-UHFFFAOYSA-N 396.531 7.121 30 40 GKEB biogenic CCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)OC 100308138 CVDOLGNPMWRXBI-HSZRJFAPSA-N 384.645 7.342 30 40 GKEB CCCCCCCCCCCCCCSC(=S)N(CCC#N)CCC#N 100932697 MKLSQASAKUNSGG-UHFFFAOYSA-N 395.682 6.835 30 40 GKEB Cc1cccc(-c2nc3ccc(/N=C/c4ccc(Br)cc4)cc3o2)c1 102417490 WRDRISVQWITOBY-YDZHTSKRSA-N 391.268 6.316 30 40 GKEB CCCCCCCCCCCCCCCCCCOC(=O)[C@@H](N)CCCCN 104268352 QTPSKWKTARMYJI-QHCPKHFHSA-N 398.676 6.247 30 40 GKEB CCn1cc(/C=C2/C[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cn1 118916077 BLUXDDQLXIXNPG-QNLMREQKSA-N 380.576 5.898 30 40 GKEB Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N/c1ccc(F)c(Cl)c1 409090647 MVUKIODPGAFSIG-LGJNPRDNSA-N 383.894 6.403 30 40 GKEB CCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1OC 861126 GVMNFIUECYQYIJ-HSZRJFAPSA-N 392.499 5.316 30 40 GKEB CCCCCCCCCCCCNC1=C(Cl)C(=O)C(=O)c2cccnc21 1726815 ZDZLKMLYWBLEHZ-UHFFFAOYSA-N 376.928 5.265 30 40 GKEB O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(/C=N/NCc2ccccc2Cl)o1 8811465 FJEOQXYMLLHXTL-SSDVNMTOSA-N 390.226 5.285 30 40 GKEB C/C(=N\c1c(Cl)cc([N+](=O)[O-])cc1Cl)c1cc2ccccc2oc1=O 13407015 SQQVAVAEVTVUJQ-AWQFTUOYSA-N 377.183 5.149 30 40 GKEB C=CCc1ccccc1OCc1ccc(C(=O)Nc2ccccc2OCC)o1 28236788 PWVJMNIABAKKRT-UHFFFAOYSA-N 377.440 5.238 30 40 GKEB CC(C)c1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)cc1 36517089 BHNGKGLYGZDJSD-JOCHJYFZSA-N 391.555 6.624 30 40 GKEB CCCCCCCCCCC/C(=N\NC(N)=S)c1c(O)ccc2ccccc12 100166607 NPKNEGOMLQLTSY-LKUDQCMESA-N 399.604 6.004 30 40 GKEB F/C(=C\CC(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103531124 MXVNKKQSCPPTLA-IWQZZHSRSA-N 396.093 5.896 30 40 GKEB C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]1CC(=C1Nc3ccccc3N1)C2=O 118917016 LSAJYPFOWSXELJ-ZVRFXKKLSA-N 390.571 6.347 30 40 GKEB CC(=O)Nc1ccc(/N=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@@H]3C)cc1 223618066 QSAHNYHIDIZZIV-CMPFEXHJSA-N 391.559 6.205 30 40 GKEB CCCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)c(C#N)c1 225680558 LRLJMMZJBKTOKE-UHFFFAOYSA-N 376.500 5.496 30 40 GKEB Cc1cc(/C=N/c2cccc(Cl)c2)c(C)n1-c1ccc(Br)cc1 408738960 QMFMQWOSLJLZHL-WSDLNYQXSA-N 387.708 6.261 30 40 GKEB COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2c(F)cccc2Cl)S1 408862435 YVJXVHPFMXJKNC-NVNXTCNLSA-N 397.258 5.033 30 40 GKEB Cc1cc(C)c2cc(C#N)c(SCC(=O)Nc3ccccc3Cl)nc2c1 1354422 YETIXALZHSTLKC-UHFFFAOYSA-N 381.888 5.108 30 40 GKEB Cc1ccc(C)n1-c1ccc(C(=O)/C=C/Nc2ccc(Br)cc2)cc1 1386319 VHYSLIDOPSULHY-BUHFOSPRSA-N 395.300 5.665 30 40 GKEB C=CCn1c(SC(C)C)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 1747173 HRNBQGFNDQKUED-UHFFFAOYSA-N 380.557 5.355 30 40 GKEB biogenic C=CCn1c(SCc2cccc3ccccc23)nnc1-c1cccc(OC)c1 2450774 MJTWLAUOYAXURK-UHFFFAOYSA-N 387.508 5.585 30 40 GKEB O=C1C[C@H](c2ccco2)CC2=C1[C@@H](c1ccc(F)cc1)n1c(nc3ccccc31)N2 4386435 XCMUYWXEEBJOJC-IQMFZBJNSA-N 399.425 5.184 30 40 GKEB COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=C/c3ccccc3)CC[C@@H]12 4533310 CZUYRYFVJAOCAN-MLJUWFEFSA-N 386.535 6.204 30 40 GKEB Cc1ccsc1/C=C1\Oc2cc(OCc3ccc(Cl)cc3)ccc2C1=O 5215468 QIYNQIQVHIILQR-ODLFYWEKSA-N 382.868 5.905 30 40 GKEB COc1ccc(-c2csc(NN=C3c4ccccc4-c4ccccc43)n2)cc1 6182120 HIMRJPINLUWCEX-UHFFFAOYSA-N 383.476 5.664 30 40 GKEB COc1ccc2c(c1)O[C@H](C)C/C2=N/OC(=O)c1ccccc1-c1ccccc1 8221913 CRWNELKCHHRIQM-WGJYXZIMSA-N 387.435 5.094 30 40 GKEB C=CCn1c(COc2cccc(C)c2)nnc1SCc1ccc(Cl)cc1 8320846 LTJXHMPNOQHCDC-UHFFFAOYSA-N 385.920 5.297 30 40 GKEB Cc1cc(/N=C/c2c(C)n(C)c3ccccc23)ccc1I 59249205 DHEUZEYIJPDIHB-RGVLZGJSSA-N 388.252 5.150 30 40 GKEB CCCCCCCCCCCCCCCCCc1cc(Cl)nc(Cl)n1 73257157 IXTUHBQNGLUUBO-UHFFFAOYSA-N 387.439 8.197 30 40 GKEB C=CCOc1cccc(-c2nn3c(-c4oc5ccccc5c4C)nnc3s2)c1 96194213 BTOWWVSNTMQSQI-UHFFFAOYSA-N 388.452 5.139 30 40 GKEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(C)cc2)C[C@H]1c1ccc(Cl)c(F)c1 97105038 PPBRODYKQVLJPV-LAUBAEHRSA-N 386.850 5.107 30 40 GKEB C[C@@H]1CC[C@@H]([C@@H]2C[C@@H]3CC[C@@H]2C3)/C(=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 101653244 GAQNEEVUJTXDHR-ZKTIVRMSSA-N 386.452 5.143 30 40 GKEB CCCCN1C(=O)/C(=C\c2ccc(OC)cc2C)S/C1=N\c1ccc(C)cc1 408916177 VPMPTXRFGNFZKM-NVZLDUMVSA-N 394.540 5.716 30 40 GKEB C=CCN1C(=O)S/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C1=O 409068550 BAICBPQRJLLKCQ-ZROIWOOFSA-N 380.252 5.476 30 40 GKEB Cc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccccc3)c(Cl)c2)cc1C 409199900 FGIDBCWFTFHPTR-OEAKJJBVSA-N 399.899 5.475 30 40 GKEB O=C(Nc1cccc(Cl)c1)c1cccc(/N=C/c2ccccc2[N+](=O)[O-])c1 670304 ZCOQQWDQDOFGFZ-LPYMAVHISA-N 379.803 5.251 30 40 GKEB CN(C)CCSc1nc(-c2cccs2)cc(-c2ccc(Cl)cc2)c1C#N 705799 AKNVEBYOMSTHKP-UHFFFAOYSA-N 399.972 5.656 30 40 GKEB Cc1cccc2oc(-c3cc(/N=C/c4c(O)ccc5ccccc45)ccc3O)nc12 3114122 MRJGWKMWLPYYOR-VULFUBBASA-N 394.430 6.118 30 40 GKEB C(#Cc1ccc(/N=C/c2ccccc2)cc1)c1ccc(/N=C/c2ccccc2)cc1 4266563 DKWMYOLNZFJCLD-VFIVCBTMSA-N 384.482 6.588 30 40 GKEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/c2ccc(Cl)c(C(=O)O)c2)o1 4740765 CHKOBUNNGAKQJO-LSHDLFTRSA-N 383.787 5.055 30 40 GKEB CN(C)c1ccc(/C=N/CC[C@H](c2ccccc2)[C@H]2CCOC(C)(C)C2)cc1 4785753 XWCIXZHNWBURHK-VEQVQPBUSA-N 378.560 5.551 30 40 GKEB O=C(/C=C/N1C=CC(=Cc2ccc([N+](=O)[O-])cc2)C=C1)c1cccc2ccccc12 6345281 SBRCDFPSFXPGAO-SAPNQHFASA-N 394.430 5.871 30 40 GKEB CCN(CC)c1ccc(/N=C2/NC(=O)/C(=C/C(C)=C/c3ccccc3)S2)cc1 6869725 YTPZRPHRGGINJQ-AMQBKCJUSA-N 391.540 5.371 30 40 GKEB O=C(/C=C\Nc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)c(Cl)c1 6896326 GCKMXNGMWGLMHE-FPLPWBNLSA-N 376.161 5.701 30 40 GKEB CC/N=C1\S/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1CC 9264657 UDOREUNXLSZNTF-NFEGURHZSA-N 389.524 5.002 30 40 GKEB COc1ccc(/C=C2\C[C@H]3[C@H]4CCc5cc(O)ccc5[C@H]4CC[C@]3(C)C2=O)cc1 10272247 QMUTWRBFFVDYDU-IPZCSDAYSA-N 388.507 5.520 30 40 GKEB CCCCOc1ccc(/C=N/Nc2ccc(Br)cc2)cc1OCC 15008872 NNUHPBPRJFMFOE-KGENOOAVSA-N 391.309 5.473 30 40 GKEB Brc1cccc(N/N=C\c2ccccc2OCc2ccccc2)c1 36624117 BDOHLYNJCWXDBZ-HMAPJEAMSA-N 381.273 5.474 30 40 GKEB N#Cc1ccccc1-c1ccccc1C(=O)N1CCC(Nc2ccc(F)cc2)CC1 63584221 CJWOYSUGJOWWDZ-UHFFFAOYSA-N 399.469 5.081 30 40 GKEB CCCCCCCCOc1ccc(/C=N/c2ccc(C(=O)OCC)cc2)cc1 68569023 HEHSIUWUXKPFCK-NCELDCMTSA-N 381.516 6.353 30 40 GKEB CCCCCCCCCCCCCC(=O)Nc1cc(N(C)C)nc2ccccc12 97949447 PPCWEQPWTDFZKK-UHFFFAOYSA-N 397.607 6.940 30 40 GKEB CCCCCCCCCC1CCC(c2ccc(-c3ccc(CC)cn3)cc2)CC1 100566244 YLMYYPBJWDYNHT-UHFFFAOYSA-N 391.643 8.726 30 40 GKEB C=C1CC[C@H](O)C/C1=C\C=C1/CCC[C@]2(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]12 100622510 QYSXJUFSXHHAJI-VKUJWBEVSA-N 384.648 7.619 30 40 GKEB biogenic C=CCOc1cccc(NC(=S)NCCCSCc2ccc(F)cc2)c1 225616290 OGUYQILGCNEIJL-UHFFFAOYSA-N 390.549 5.000 30 40 GKEB Cc1ccc(C(=O)/C=C/c2ccccc2OCc2cccc3ccccc23)cc1 408691539 CVGCCFPHPFYHKD-ISLYRVAYSA-N 378.471 6.623 30 40 GKEB CSc1ccccc1/N=C/c1ccccc1OCc1ccc(C(=O)O)cc1 408961041 QFLNTFQEIXVUTD-OEAKJJBVSA-N 377.465 5.436 30 40 GKEB Cc1cc(N2CCCC2)ccc1/C=C1\SC(=Nc2cccc(Cl)c2)NC1=O 408961312 RJJVNCGPINDARX-UNOMPAQXSA-N 397.931 5.140 30 40 GKEB CC(C)Oc1cccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)c1 409289890 IUFRSWWAVQDSFL-UHFFFAOYSA-N 389.499 5.114 30 40 GKEB N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCC[C@H]2CC2(F)F)cc1Cl 598649231 KXUZEXXKBKGRLV-YOEHRIQHSA-N 389.833 5.162 30 40 GKEB C=CCn1c(SCc2ccccc2Cl)nc2scc(C3CC3)c2c1=O 2623092 ZVRVJVDMYJAYNG-UHFFFAOYSA-N 388.945 5.467 30 40 GKEB COc1ccc(C(=O)/C(=C/c2ccc(N(C)C)cc2)c2nc3ccccc3o2)cc1 4747012 KCYXSOSKZYDTGH-PGMHBOJBSA-N 398.462 5.326 30 40 GKEB O=c1c(/C=N/c2cccc(Cl)c2)c(Sc2ccccc2)nc2ccccn12 4750961 FAUGMUWZCWUWFW-OEAKJJBVSA-N 391.883 5.250 30 40 GKEB Cc1ccc(Cc2c(C)c(C#N)c3nc4ccccc4n3c2N2CCCCC2)cc1 5249163 WMUGZCSVEPKCCJ-UHFFFAOYSA-N 394.522 5.557 30 40 GKEB Cc1ccc(-c2cc(-c3nnc(SCCC#N)n3C)c3ccccc3n2)cc1 7236060 JICYVFPBHPZJQQ-UHFFFAOYSA-N 385.496 5.012 30 40 GKEB COc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(C)cc1 8372961 IXMJMXKOQRZZOC-VULFUBBASA-N 393.914 6.603 30 40 GKEB COc1ccccc1/C=N/Nc1nc(-c2ccc(C)cc2)c(-c2ccccc2)s1 59484296 GGQKJFHSVVMKOF-PCLIKHOPSA-N 399.519 6.240 30 40 GKEB COc1ccc(-n2cnc(Cl)c2/C=N/c2ccc(OC(F)(F)F)cc2)cc1 71195247 IBUFOBVPQWQWMX-AUEPDCJTSA-N 395.768 5.184 30 40 GKEB CCCCCCCCCCCC(=O)c1cc(OCCCCCC)ccc1O 100922053 UXMXTTKOIHKLIH-UHFFFAOYSA-N 376.581 7.455 30 40 GKEB C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)C#Cc1ccccc1 118915116 LZYLYVQWNIUJNH-AKAKXLQSSA-N 392.583 5.173 30 40 GKEB COc1cc(/C=N/c2cccc(Cl)c2)ccc1OCc1cccc(C(=O)O)c1 408843242 CUYXKOZLDPJRAC-ZMOGYAJESA-N 395.842 5.376 30 40 GKEB Cc1cc(/C=N\Nc2ccc(C(F)(F)F)cc2)c(C)n1-c1ccc(C#N)cc1 408932498 CPFLZCHCXBTPLN-ZMFRSBBQSA-N 382.389 5.431 30 40 GKEB CCOc1ccc(-n2c(C)cc(/C=N\c3ccc(Cl)c(C(=O)O)c3)c2C)cc1 409190690 VDHWTPIOTYAJPJ-CFRMEGHHSA-N 396.874 5.595 30 40 GKEB CCN1C(=O)/C(=C\c2ccc(C(F)(F)F)cc2)S/C1=N/c1ccc(F)cc1 409236225 SATQXXBDRKHTNO-CULIXBNTSA-N 394.393 5.468 30 40 GKEB Cc1ccc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2ccccc12 575243200 XGIBHURSKLKYDR-UHFFFAOYSA-N 388.229 5.799 30 40 GKEB Cc1ccc(Sc2ccc(NC(=O)c3ccccc3Cl)cc2C#N)cc1 3104508 MVFUSCWQRSTCMP-UHFFFAOYSA-N 378.884 5.924 30 40 GKEB C=CCn1c(SCc2ccccc2)nc(-c2ccccc2)c1-c1ccccc1 3135090 ZFFMVHWUOLXPPV-UHFFFAOYSA-N 382.532 6.695 30 40 GKEB C=CCN(C(=O)c1ccccc1C(F)(F)F)c1nc(-c2ccccc2)cs1 3435731 RNQLGOOXVLUVAU-UHFFFAOYSA-N 388.414 5.662 30 40 GKEB N#Cc1c(-c2ccccc2)c2cc(Cl)ccc2n1Cc1ccc([N+](=O)[O-])cc1 4053691 KLULEILRNYCKTA-UHFFFAOYSA-N 387.826 5.790 30 40 GKEB C/C(=N\N=C\c1cc(Cl)cc(Cl)c1O)c1cc([N+](=O)[O-])ccc1Cl 4277570 WRPSBCXQTOKNSF-OKXCLTPOSA-N 386.622 5.104 30 40 GKEB Cc1ccc(C)c(/N=C/c2cc(Br)c(O)c(Br)c2)c1 5541920 PFGXEXDLUIWMBV-QGMBQPNBSA-N 383.083 5.285 30 40 GKEB Cc1ccc(O)c(/C(CCCCCCC/C(=N\O)c2cc(C)ccc2O)=N/O)c1 6189435 RPNPFNBXESCWCL-CTWPWMDCSA-N 398.503 5.502 30 40 GKEB Cc1ccc(/N=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)cc1 8371857 QMCPUGDYAYVKCR-ZMOGYAJESA-N 398.275 6.226 30 40 GKEB C=CCN1C(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)SC1=S 33329953 CIWRGAYFVJSDPT-GXDHUFHOSA-N 393.942 5.471 30 40 GKEB CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)cc1OCC 135988889 JVFONPDLSQCSBG-QNQNADBQSA-N 396.512 5.026 30 40 GKEB Cc1cccc(-n2c(C)cc(/C=C3\SC(=Nc4ccccc4)NC3=O)c2C)c1 408765135 WRCMBTNGQDOPCW-STZFKDTASA-N 387.508 5.294 30 40 GKEB C=CCOc1c(Br)cc(CNc2cccc(C)c2)cc1OCC 409116120 UBZCTZHYQBYXSR-UHFFFAOYSA-N 376.294 5.333 30 40 GKEB COc1cc(/C=N/c2cccc(C)c2C)ccc1OCc1ccc([N+](=O)[O-])cc1 409214350 XCEYQDSOAGPUSY-ZVHZXABRSA-N 390.439 5.550 30 40 GKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N\c2ccc(Cl)c(Cl)c2)cc1OC 409380140 JAJLZCPSAYNQNG-FEJWEZRGSA-N 386.706 6.583 30 40 GKEB O=C(c1c(Cl)cccc1Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575242684 CDTJHLVEUBSNJX-UHFFFAOYSA-N 393.032 5.644 30 40 GKEB C[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(Cl)c(Cl)c3)c2C#N)C1 956421 BIEVWKDJSKJEMH-ZPMKCOPCSA-N 391.323 5.703 30 40 GKEB CC(C)c1ccc(NC(=S)N/N=C/c2c3ccccc3cc3ccccc23)cc1 3250291 AYXVCKIHILAVEH-WGOQTCKBSA-N 397.547 6.437 30 40 GKEB C=CCn1c(SCc2csc(-c3ccccc3)n2)nnc1-c1ccccc1 4285472 QYZYBDZLNPQUHW-UHFFFAOYSA-N 390.537 5.547 30 40 GKEB CC1(C)C[C@@H]2C[C@@](C)(CN2/C=N/c2sc3c(c2C#N)CC(C)(C)NC3(C)C)C1 5069877 KOPQVOOZGXDPKL-NWOQJERHSA-N 398.620 5.340 30 40 GKEB CCc1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2)[n+]2ccccc2)cc1 6566349 UOCZZQHUOKXZGK-UHFFFAOYSA-O 395.935 5.241 30 40 GKEB COc1ccc(C(=O)/C=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)cc1 7939551 CIGCIENBJSCWFE-JXMROGBWSA-N 382.799 5.203 30 40 GKEB CCCc1cc(SCc2ccccc2Cl)n2c(nc3ccccc32)c1C#N 12689808 XUVPWORIJVLIAX-UHFFFAOYSA-N 391.927 6.257 30 40 GKEB Clc1ccc(Sc2ccccc2/C=N\Nc2nc3ccccc3s2)cc1 33789380 ZLPDCGJUOIWMIB-XKZIYDEJSA-N 395.940 6.547 30 40 GKEB N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCc1ccccc1F 37866290 WDEXFBYGGJIMHH-UHFFFAOYSA-N 394.418 6.132 30 40 GKEB CCCCCCCOc1ccc(-c2ccc(CCCCCCC)cn2)cc1F 80784159 HMZSTBKKRIYVGU-UHFFFAOYSA-N 385.567 7.750 30 40 GKEB CCCCCCCOc1cccc(NC[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c1 100039124 YYIFHWLSOGXYDL-OAQYLSRUSA-N 397.603 7.213 30 40 GKEB C=CCSc1nc2ccc(/N=C/c3ccc(N(C)C)c([N+](=O)[O-])c3)cc2s1 100252172 AYUUBORVHQGLEZ-UDWIEESQSA-N 398.513 5.299 30 40 GKEB CCC(C)(C)[C@H]1CCC(=O)/C(=C/Nc2ccc(Oc3cccc(OC)c3)cc2)C1 408563381 LKHCUTGLYDCDJP-QZZNQRLBSA-N 393.527 6.589 30 40 GKEB Cc1sc(/N=C/c2cn(Cc3ccccc3C#N)c3ccccc23)c(C#N)c1C 408818207 PFAOTJWDOAYOND-UVHMKAGCSA-N 394.503 5.862 30 40 GKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(Cl)cc3Cl)C(=O)N2C)cc1 408914845 XZRXQRQOFQJIGB-DROWFBKHSA-N 377.296 5.536 30 40 GKEB CCOc1ccc(-c2c(-c3ccccc3)c(C)[nH]c(=N)c2C#N)c2ccccc12 408981157 UYCQTFVOGYXOJY-UHFFFAOYSA-N 379.463 5.560 30 40 GKEB CC[C@H](C)n1c(C)c(/C=N/CCNc2cccc3ccccc23)c2cccc(C)c21 409033283 KQUOAKILXBHVTK-FNVGFWRISA-N 397.566 6.913 30 40 GKEB CC(C)(C)[C@@H]1CCc2c(sc(N=C3C(=O)Nc4ccc(Cl)cc43)c2C#N)C1 409122234 ZHMHXGNKXBPHLO-LLVKDONJSA-N 397.931 5.497 30 40 GKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC 409379608 YKJRFTYAVGEFPH-OHBSIKEHSA-N 397.258 5.838 30 40 GKEB COc1cccc(/C=N/c2ccc(NC(C)=O)cc2)c1OCc1ccc(F)cc1 681043 PPDCUEFGHQJDMT-AFUMVMLFSA-N 392.430 5.122 30 40 GKEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@H]2c1ccc(F)cc1F 5129481 XPANWPVQGUZCHQ-DEOSSOPVSA-N 389.445 6.428 30 40 GKEB O=C1C[C@@H](c2ccco2)CC2=C1[C@@H](c1ccccc1)n1c(nc3ccccc31)N2 5343535 AWLBFHSWHGXHLM-QMHKHESXSA-N 381.435 5.045 30 40 GKEB OC1=N/C(=N\c2ccc(Br)cc2)S/C1=C\c1ccc(F)cc1 6926215 UAABFXYFOFIKCH-ZROIWOOFSA-N 377.238 5.320 30 40 GKEB CCOc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCc1cccc(Cl)c1 6961409 STYCMHVQRGPGHY-CVKSISIWSA-N 393.914 6.685 30 40 GKEB Cc1ccc([C@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3nc4ccccc4n32)cc1 7495936 BKZHMKTYFVEVJV-XDHUDOTRSA-N 395.462 5.353 30 40 GKEB CCCCCCCCCC(=O)Nc1c(C(=O)OCC)[nH]c2ccc(OC)cc12 97951349 HRCFKLUULDTGQN-UHFFFAOYSA-N 388.508 5.432 30 40 GKEB Fc1ccc(N2C(=S)SC(=N\c3ccccc3)/C2=N/c2ccccc2)cc1 102817878 BHEHJBMUWWKGNG-SRPFLQSCSA-N 391.496 6.124 30 40 GKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(C)c(Cl)c3)c2C)cc1 408772767 FONXALNKJMMBCM-AFUMVMLFSA-N 394.902 5.983 30 40 GKEB Cc1cc(C)cc(-n2c(C)cc(/C=N/c3ccc(N4CCOCC4)cc3)c2C)c1 408930684 AQRSSJXAZYKFIR-YZSQISJMSA-N 387.527 5.298 30 40 GKEB O=[N+]([O-])c1cccc(/C=N\Nc2nc(-c3ccco3)c(-c3ccco3)s2)c1 408974251 DOTGBVRLGZJXCZ-ODLFYWEKSA-N 380.385 5.017 30 40 GKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc(OC(F)F)cc3)c2C#N)C1 409155256 QFOQAWWBBPJUBX-KWRYHKOTSA-N 388.483 6.123 30 40 GKEB Fc1cc(F)c(F)c(SCSc2c(F)c(F)cc(F)c2F)c1F 2362803753 GUJNBPRRQFFJSX-UHFFFAOYSA-N 376.293 5.641 30 40 GKEB O=[N+]([O-])c1ccc(Cl)c(-c2ccc(/C=N/c3cccc(Cl)c3Cl)o2)c1 793533 SVRYNSKCQVOSOG-ZVBGSRNCSA-N 395.629 6.566 30 40 GKEB COc1ccc(OC)c(/N=C/c2c(C)c(Cl)c(C)c(Br)c2O)c1 1435275 QTNLQEHNQFHTMK-DNTJNYDQSA-N 398.684 5.193 30 40 GKEB CSc1nc2ccc(/N=C/c3cc(Br)ccc3O)cc2s1 3079908 MIHMTSJIVUXIPU-CAOOACKPSA-N 379.304 5.237 30 40 GKEB Cc1cc(C)c2c(c1)C(=O)/C(=C/c1ccc(OC(F)F)cc1OC(F)F)CC2 3301150 IDMJDUCLKMKEAP-NTEUORMPSA-N 394.364 5.719 30 40 GKEB CCC(=O)Oc1ccc(/C=N/c2ccc(C(=O)/C=C/c3ccccc3)cc2)cc1 4460298 CIOKZIAEFQCOJV-HNJVETBBSA-N 383.447 5.649 30 40 GKEB C=CCOc1cccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)c1 4660136 DIMHTAWAUASSCM-UHFFFAOYSA-N 378.475 6.394 30 40 GKEB C/C(=N\N=c1/[nH]c2ccccc2s1)c1ccc2c(c1)Sc1ccccc1O2 5052260 YWBRWAVVINBCAK-YDZHTSKRSA-N 389.505 5.811 30 40 GKEB O=C(/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1cccnc1 5659167 IVDXEPITUWEUJD-OBGWFSINSA-N 376.459 6.448 30 40 GKEB O=C(/C=C/Nc1cccc(Br)c1)c1ccc(-c2ccccc2)cc1 32100196 SXUUZINDRAHSOW-BUHFOSPRSA-N 378.269 5.925 30 40 GKEB CCCCCOc1ccccc1/C=N/N=c1/[nH]c(-c2ccccc2)c(C)s1 59193820 IBRLUVAEJUZTLC-XQNSMLJCSA-N 379.529 5.555 30 40 GKEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(C)cc2)C[C@@H]1c1ccc(Cl)c(F)c1 97105042 PPBRODYKQVLJPV-DYESRHJHSA-N 386.850 5.107 30 40 GKEB C=C(C)[C@@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@H]4[C@]3(C)CC[C@H]3CC(=O)CC[C@]34C)[C@H]12 118915831 JMNNBGGLFDJNBE-GHTPSREBSA-N 396.659 7.597 30 40 GKEB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@H]1C/C(=C\c1ccccc1)C2=O 118916174 XVNNBSPKVRWTLT-WWVKRORJSA-N 378.556 5.653 30 40 GKEB COC(=O)c1cccc(/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c1C 408767381 WJGQQQMOHBYWTL-ZMOGYAJESA-N 380.875 5.593 30 40 GKEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(F)cc3F)c2C)c(C)c1 408931222 IPJQPLLNCZVBBM-BRJLIKDPSA-N 382.410 5.218 30 40 GKEB CC[C@@H](C)c1ccc(/N=C/c2cc(Br)c(Br)o2)cc1 408956033 ZPFIJHCJTQDEHD-SVXRXWARSA-N 385.099 6.069 30 40 GKEB CC1(C)CC(=O)C2=C(C1)[C@H](c1ccc3c(c1)OCO3)Nc1ccc3ccccc3c12 708552 LHXPQLNFYQHLEE-VWLOTQADSA-N 397.474 5.878 30 40 GKEB Cc1ccc2nc(SCC(=O)Nc3cccc4ccccc34)c(C#N)cc2c1 1222317 QMMMPAHWMPLHBN-UHFFFAOYSA-N 383.476 5.299 30 40 GKEB CCCCOc1ccc(C(=O)Nc2sc3c(c2C#N)C[C@H](CCC)OC3)cc1 2213682 WJCDKOCMGFQQJZ-KRWDZBQOSA-N 398.528 5.292 30 40 GKEB C=CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccc(C)cc1 2453657 PPOAFOJNKFMAIS-UHFFFAOYSA-N 390.339 6.039 30 40 GKEB CCCc1ccc(O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 3671197 XDQQVUDIOGXBDB-HNNXBMFYSA-N 382.529 5.247 30 40 GKEB C=C[C@@H]1CN2CC[C@@H]1C[C@@H]2[C@@H](OC(=O)c1ccccc1)c1ccnc2ccccc12 3999920 XOEFQGQIXMPRIN-KAORUIQYSA-N 398.506 5.029 30 40 GKEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C[C@H]1[C@@H]2C(=O)C=C2CCCC[C@@H]21 4804598 RWSNWUWVSNWYPS-NUGDDEJLSA-N 394.599 5.852 30 40 GKEB C(=N/Nc1nc(-c2ccccc2)cs1)\c1ccc(OCc2ccccc2)cc1 4975307 ABNNCULCSWFMDB-BUVRLJJBSA-N 385.492 5.835 30 40 GKEB C=CCOc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3C2CCCCC2)cc1 5477597 DJPOFNXKCQOATH-NRFANRHFSA-N 397.544 5.036 30 40 GKEB Cc1ccccc1COc1ccc2c(c1)O/C(=C/c1cn(C)c3ccccc13)C2=O 8993567 GEIUQPAZNKHPED-DHRITJCHSA-N 395.458 5.682 30 40 GKEB Cc1ccc(/N=C(\Nc2ccc(C)cc2)c2ccccc2Br)cc1 16292626 VPSQYQDGZWLNGS-UHFFFAOYSA-N 379.301 6.256 30 40 GKEB CC(/C=N\n1c(S)nnc1-c1ccc(Cl)cc1Cl)=C\c1ccccc1 30743157 JQXDYQFTWGWCPV-CNXORRMTSA-N 389.311 5.478 30 40 GKEB Cc1ccccc1OCc1ccc(-c2nc(C#N)c(NC3CCCCC3)o2)o1 32999864 BPWOZAAUECIJAK-UHFFFAOYSA-N 377.444 5.438 30 40 GKEB CN(C)c1oc(/C=N/N(c2ccccc2)c2ccccc2)cc1Br 59104637 CUVJLKXCYTUXJZ-KGENOOAVSA-N 384.277 5.280 30 40 GKEB COc1ccc([C@H]2CC(=O)C=C(NCc3ccc(Cl)c(Cl)c3)C2)cc1 100424126 OWNGHCKLXSGQCR-OAHLLOKOSA-N 376.283 5.122 30 40 GKEB CC1=CC(C)(C)N(C)c2cc(C)c(/C=N/c3ccc(N4CCOCC4)cc3)cc21 198148934 JEVXOQHOYPBVRI-YZSQISJMSA-N 389.543 5.214 30 40 GKEB C=C1[C@H](C)[C@@]23CCO[C@H](c4ccc(OC)c(OCc5ccncc5)c4)[C@H]2C[C@@H]1C3 257325867 WUTVPTIHDPVXBQ-DUUGZRKFSA-N 391.511 5.349 30 40 GKEB CCn1c(C)cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)c1C 408960109 BVAQTVMOKVGRNH-OQLLNIDSSA-N 394.327 5.323 30 40 GKEB COc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c(OC)c1 409079175 KXLVQQBUDUPODC-GMJSKMFWSA-N 382.529 5.539 30 40 GKEB N#C[C@@H](c1ccccc1)c1nc2cc(Cl)c(Cl)cc2nc1C(F)(F)F 1389999 UDMZOHBYSQKRPJ-JTQLQIEISA-N 382.172 5.611 30 40 GKEB N#Cc1ccc(-c2ccc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)cc1 3321363 YBLRMSNQLBIZGQ-UHFFFAOYSA-N 378.771 5.006 30 40 GKEB CCCOc1ccc([C@@H]2C3=C(CCCC3=O)Nc3ccc4ncccc4c32)cc1 4184833 MESQCURKPISADT-QHCPKHFHSA-N 384.479 5.588 30 40 GKEB Brc1ccc2nc(N/N=C/c3ccco3)cc(-c3ccccc3)c2c1 4817125 GFBIBLNKJMLQDX-LPYMAVHISA-N 392.256 5.703 30 40 GKEB CC(C)Oc1ccc(-c2nc(N/N=C/c3ccccc3O)c3ccccc3n2)cc1 5024438 BWUCXQGQBJXGPT-MFKUBSTISA-N 398.466 5.236 30 40 GKEB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccc(Br)cc1 5214615 BCGNBWAHJLZDRW-PKNBQFBNSA-N 387.660 6.259 30 40 GKEB COc1ccccc1N1C(=S)N/C(=N\c2c(C)cccc2C)C12CCCCC2 13764533 ZVFYTRIAFOXKQV-UHFFFAOYSA-N 393.556 5.440 30 40 GKEB COc1ccccc1CN/N=C/c1cccc(OCc2cccc3ccccc23)c1 20762252 FSWSGWHCUZMFGH-WPWMEQJKSA-N 396.490 5.551 30 40 GKEB Clc1cc(Cl)c(N/N=C/c2c(Cl)nc3sccn23)c(Cl)c1 21187595 VCQLNTGDSGQIRH-YAXRCOADSA-N 380.087 5.455 30 40 GKEB CCCCCCCCCCCCNC(=S)N/N=C/c1ccc(OC)cc1 104373409 ROGWSZCTHAYZAM-PTGBLXJZSA-N 377.598 5.414 30 40 GKEB FC(F)(F)C(F)(F)CCCCCCCCCCC(F)(F)C(F)(F)F 169795154 ANWCYIIEMZUINM-UHFFFAOYSA-N 378.294 7.283 30 40 GKEB CCc1ccc(-n2c(C)cc(/C=N\c3ccc(C)cc3Br)c2C)cc1 408758625 OATHUOWOABADMK-OYKKKHCWSA-N 395.344 6.478 30 40 GKEB CCCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)cc1OC 408914335 NVNUZEKWHIFRJU-QNQNADBQSA-N 396.512 5.026 30 40 GKEB Cc1ccc(Cl)cc1/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 409210893 LLFCDADOACDKMN-ZVHZXABRSA-N 378.859 5.417 30 40 GKEB Cc1ccc(Sc2ccc(/C=N\c3ccc(Cl)c(C(=O)O)c3)cc2)cc1 409240972 VWUVZNYHGHYVAQ-QRVIBDJDSA-N 381.884 6.248 30 40 GKEB Cc1ccccc1[C@H]1CC(=O)N(c2ccc(C(F)(F)F)cc2)C2=C1C(=O)CCC2 1079915 WGVRRRLPPOKTEQ-GOSISDBHSA-N 399.412 5.541 30 40 GKEB N#Cc1c(NC(=O)C(Cc2ccccc2)Cc2ccccc2)sc2c1CCC2 1088175 DJDKILSILYCDFG-UHFFFAOYSA-N 386.520 5.149 30 40 GKEB N#Cc1ccc(-c2csc(NC(=O)c3cccc(Oc4ccccc4)c3)n2)cc1 1506421 VBZYHTWFRMIKFD-UHFFFAOYSA-N 397.459 5.726 30 40 GKEB CCC(C)(C)[C@H]1CCc2c(sc(/N=C(O)/C=C/c3ccccc3)c2C#N)C1 2737045 JHGZZOIPVDZGLB-RTGRKSDTSA-N 378.541 6.462 30 40 GKEB Cc1sc(/N=C(\O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(C#N)c1C 2738402 SOLDBBZJVXUWCV-UHFFFAOYSA-N 398.250 5.293 30 40 GKEB O=[N+]([O-])c1cc(Cl)cc(/C=N/c2cccc(-c3nc4ccccc4o3)c2)c1O 3084540 UCWMQHYTKFLKBF-SSDVNMTOSA-N 393.786 5.513 30 40 GKEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(C)cc2)C[C@H]1c1ccc(C(C)C)cc1 4119648 LNMJNVLTQYLSMM-UPVQGACJSA-N 376.496 5.438 30 40 GKEB CCN(CC)CCN(/C(=N/c1ccccc1)N1CCCCC1)c1ccccc1 5499373 LKPUWIZUBWPXIH-OCOZRVBESA-N 378.564 5.008 30 40 GKEB N#Cc1c(-c2ccccc2)cc(-c2ccc(Cl)cc2)nc1SC[C@@H]1CO1 5900029 WRTAGFKFVXDIJD-KRWDZBQOSA-N 378.884 5.432 30 40 GKEB CCCCCCCCOP(=O)(OCCCCCCCC)Oc1ccccc1 6921192 QHGRPTNUHWYCEN-UHFFFAOYSA-N 398.524 7.928 30 40 GKEB CCOc1cc(/C=N/c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 6961274 YMEJGEAMTLSPCJ-MFKUBSTISA-N 379.887 6.377 30 40 GKEB CC[C@H](C)/N=C(Nc1ccc(C)cc1)/C(=N/c1ccc(C)cc1)N[C@@H](C)CC 17154946 FMGGNWIDZMOMJX-PMACEKPBSA-N 378.564 6.031 30 40 GKEB CSc1nc(-c2ccc(C(C)(C)C)cc2)c(C#N)c(N2CCCCCC2)n1 19820375 BGYIYGRAPLRMOU-UHFFFAOYSA-N 380.561 5.415 30 40 GKEB C/C(=C\C(=O)c1ccc(Br)cc1)Nc1cccc(Cl)c1Cl 32100508 CMEJLZYLQHNWIJ-MDZDMXLPSA-N 385.088 5.955 30 40 GKEB Cc1ccc2cc(C#N)c(SCC(=O)Nc3ccc(C(C)C)cc3)nc2c1 35311879 WSVXBEMICPYDOI-UHFFFAOYSA-N 375.497 5.269 30 40 GKEB Cc1cc(C)c(C#N)c(SCC(=O)N2c3ccccc3C=Cc3ccccc32)n1 35327595 ROGKVDNUHUFXSF-UHFFFAOYSA-N 397.503 5.511 30 40 GKEB O=C1/C(=C\c2ccc(Cl)cc2)S/C(=N/c2ccccc2)N1c1ccccc1 48860911 VKTOKRISKHJKSQ-WJGQKVTCSA-N 390.895 6.149 30 40 GKEB C=CCc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(OC)c1OCCC 409067866 RNDLLKSNLKGTKH-RCCKNPSSSA-N 390.483 5.019 30 40 GKEB Cc1[nH]c2ccccc2c1/C=N/c1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 409079429 JUEWTJDQWMFTCV-SQAVSUBZSA-N 375.541 6.311 30 40 GKEB CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccc(C(=O)OC)cc2C)cc1OC 409385114 HOTXSMVQLZSGFU-XMTZNVEYSA-N 389.879 5.372 30 40 GKEB Cc1cccc(/N=C\c2cc(C)n(-c3sc4c(c3C(=O)O)CCCC4)c2C)c1 409387124 UAQBAMXDSURLBY-CFRMEGHHSA-N 392.524 5.792 30 40 GKEB O=C1CCCC2=C1[C@@H](c1ccc(C(F)(F)F)cc1)C1=C(O)c3ccccc3C1=N2 801865 KCVYURKCDSZROI-GOSISDBHSA-N 395.380 5.582 30 40 GKEB Oc1ccc2ccccc2c1/C=N/c1cccc(-c2nc3cc(Cl)ccc3o2)c1 1881337 ZBSDLCJYPZKZBN-VULFUBBASA-N 398.849 6.758 30 40 GKEB COc1ccc(/C=C/C(=O)C[C@H](Nc2ccc(Cl)cc2)c2ccccc2)cc1 2257299 RPYXTXTWHYNJBZ-YYSDWVBWSA-N 391.898 6.174 30 40 GKEB Cc1ccc2nc(-c3ccc(/N=C/c4cc(Cl)ccc4Cl)cc3O)oc2c1 3049810 WEPMZEZWKKFKAN-BHGWPJFGSA-N 397.261 6.566 30 40 GKEB Cc1ccc(-c2ccc(C#N)c(SCc3c(Cl)cccc3Cl)n2)cc1 4116538 DNOKCLHWHDAVEJ-UHFFFAOYSA-N 385.319 6.528 30 40 GKEB Cc1ccc(C)c(NC(=O)CSc2nc3c(C)c(C)ccc3cc2C#N)c1 4849108 UYDUTRHNJBEZLT-UHFFFAOYSA-N 375.497 5.071 30 40 GKEB C/C(=N\Nc1nc2ccccc2s1)c1ccc2ccccc2c1OC(F)F 4964235 WQCAOFNOLLDKPY-WYMPLXKRSA-N 383.423 5.887 30 40 GKEB COc1ccc(/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 8116556 UNESIEKJHUSWPU-YDZHTSKRSA-N 396.830 5.586 30 40 GKEB Cc1ccc(/N=C/c2ccccc2OCc2ccc(Br)cc2)c(C)c1 8368803 SBYJMQCPPKXMSL-ZVHZXABRSA-N 394.312 6.396 30 40 GKEB CCc1ccc2oc(-c3cc(/N=C\c4ccc([N+](=O)[O-])cc4)ccc3O)nc2c1 18068981 HPHNHRZLSQLOTM-QRVIBDJDSA-N 387.395 5.422 30 40 GKEB C/C(=N/N1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1 20102802 SPHNQPCBXMOEGX-BWAHOGKJSA-N 377.919 5.035 30 40 GKEB COc1ccc2c(c1)-c1nc(/N=C/c3c(O)ccc4ccccc34)sc1CC2 100179891 OMXLJPJHRBQBCC-ZMOGYAJESA-N 386.476 5.527 30 40 GKEB CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3C#N)cc2)c2ccccc21 409109754 KRJLVWFJDULPLI-HAHDFKILSA-N 380.447 5.044 30 40 GKEB C=CCOc1c(Br)cc(CNc2cccc(Cl)c2C)cc1OC 409122271 ZXAULCXJOKTQCE-UHFFFAOYSA-N 396.712 5.596 30 40 GKEB C=CCc1cc(CNc2ccc(C)cc2)cc(OC)c1OCc1ccc(C)cc1 409132661 LFRMYQHCBLJXSQ-UHFFFAOYSA-N 387.523 6.232 30 40 GKEB O=C1/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)Cc2ccccc21 409369089 BESHBJQWAHJVBV-XMHGGMMESA-N 383.878 6.165 30 40 GKEB FC(F)(F)CNc1cccc(OCCC(F)(C(F)(F)F)C(F)(F)F)c1 1083811700 FWVPPRXDIGIVSX-UHFFFAOYSA-N 387.217 5.263 30 40 GKEB Cc1ccc(-n2nc(C)c(CNc3sc4c(c3C#N)CCCC4)c2Cl)cc1 2254245 GDQRTAWIZWAUDG-UHFFFAOYSA-N 396.947 5.567 30 40 GKEB CC1(C)CC(=O)C2=C(C1)Nc1c(ccc3ccccc13)[C@H]2c1ccc(Cl)cc1 4235648 LPCQXRIEZWGTFA-JOCHJYFZSA-N 387.910 6.694 30 40 GKEB biogenic COc1cc2ccccc2cc1C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 4690748 IHSWNSKDCHNRRF-ZDUSSCGKSA-N 376.481 5.159 30 40 GKEB Cc1ccc([C@@H]2C[C@H]2/C(=N/OC(=O)c2ccc(F)cc2)c2ccc(F)cc2)cc1 5617816 KNKPFWPHMRAHPE-CWGARUPCSA-N 391.417 5.638 30 40 GKEB Cc1ccc(/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 8371879 XMKSLAMBDVLRRO-YDZHTSKRSA-N 380.831 5.886 30 40 GKEB C=C(C)COc1ccc2c(c1C)O/C(=C/c1cn(C)c3ccc(OC)cc13)C2=O 8765498 KCQGVJAOHYWTPL-LSHDLFTRSA-N 389.451 5.066 30 40 GKEB biogenic C/N=C1\S/C(=C\c2ccc(C(C)C)cc2)C(=O)N1/N=C/c1ccc(C)cc1 12447490 UCGUIIIWDIAQOG-HFNVMPMKSA-N 377.513 5.055 30 40 GKEB FC(F)(F)/C(=N/Sc1c(-c2ccccc2)nc2ccccn12)c1ccccc1 12523628 SZWFRWPBYPGIMK-LGUFXXKBSA-N 397.425 6.060 30 40 GKEB CC1=Cc2c(C#N)c(N)c(C#N)c(-c3ccc(Cl)cc3Cl)c2C(C)(C)C1 16607292 ZTECTNWGAMZPEV-UHFFFAOYSA-N 382.294 6.071 30 40 GKEB CCCCCC/C(C[C@@H](SCC)c1ccccc1Cl)=N/NC(N)=S 17141702 AJBTYTVSUDZURP-RHTHQAGFSA-N 386.030 5.684 30 40 GKEB Cc1ccc(COc2ccc3c(c2)O/C(=C\c2cn(C)c4ccccc24)C3=O)cc1 28182481 ABRHDVKNMZUEGS-MXAYSNPKSA-N 395.458 5.682 30 40 GKEB C/C(=C\C(=O)c1ccc(C)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 32100400 SFIMIFVAYHJMJT-KPKJPENVSA-N 387.323 6.231 30 40 GKEB C(=N\c1cccc(N(Cc2ccccc2)Cc2ccccc2)c1)\c1ccccc1 104058466 XPCLIJWBFYCJLR-RRAHZORUSA-N 376.503 6.644 30 40 GKEB CCCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)cc1C#N 225758928 ZRKBXLXDRIEKMG-UHFFFAOYSA-N 390.527 5.886 30 40 GKEB C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@H](/N=C\c3ccccc3)CC[C@H]12 253501214 PSKHDAPOVCIOJR-VPUYDUJLSA-N 379.588 5.878 30 40 GKEB COc1cc(C)c(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1OC 408548375 HBGWBLWLQOUNQZ-JVWAILMASA-N 389.539 6.231 30 40 GKEB Cc1cccc(C(=O)Oc2ccc(/C=N/Nc3nc4ccccc4s3)cc2)c1 408737491 SHWJDLSSWCIWKY-OEAKJJBVSA-N 387.464 5.270 30 40 GKEB O=C(NCc1ccccc1)c1c(/N=C\c2ccc(F)cc2)sc2c1CCCC2 408785705 AXMONKKRBOZNGT-YSMPRRRNSA-N 392.499 5.447 30 40 GKEB CCCN1C(=O)/C(=C\c2ccc(C)c([N+](=O)[O-])c2)S/C1=N\c1ccc(C)cc1 408916045 UDOJFZNYWCUZHO-NFYBBCHUSA-N 395.484 5.226 30 40 GKEB C=CCn1c(C)c(/C=N\Nc2c(F)c(F)c(F)c(F)c2F)c2cccc(C)c21 409036242 BCGAEWUDBRTQTH-WMDMUMDLSA-N 393.359 5.586 30 40 GKEB CCOC(=O)c1c(/N=C/c2c(O)ccc3ccccc23)sc2c1CC[C@H](C)C2 677174 NGHQBVPSTMZGGA-KIQCMGJBSA-N 393.508 5.659 30 40 GKEB O=C1/C(=C/C=C/c2ccccc2)S/C(=N\c2ccccc2)N1C1CCCCC1 3668134 QHCZRSGURVBKRT-RCDGQAJGSA-N 388.536 6.180 30 40 GKEB CCCC[C@@H](CC)COc1cc(C#N)c(OC[C@H](CC)CCCC)cc1C#N 4664689 CKCPPOLWIZCTAL-WOJBJXKFSA-N 384.564 6.620 30 40 GKEB O=C1C[C@H](c2ccco2)CC2=C1[C@H](c1ccccc1)n1c(nc3ccccc31)N2 5343539 AWLBFHSWHGXHLM-MWTRTKDXSA-N 381.435 5.045 30 40 GKEB C#CCOc1c(Cl)cc(CNc2ccc(Br)cc2)cc1OCC 6630746 NEEXFXUMEVSEFC-UHFFFAOYSA-N 394.696 5.125 30 40 GKEB CCc1cccc2c(/C=N/c3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)c[nH]c12 8088018 GSDHQGJCBKTMFO-MAFAOTQISA-N 389.568 6.565 30 40 GKEB O=C(Nc1ccccc1)Oc1ccc(/C=N\Sc2cccc([N+](=O)[O-])c2)cc1 104191042 GTEIUCQTEBXUQR-STZFKDTASA-N 393.424 5.332 30 40 GKEB O=c1sc(-c2nc3ccccc3[nH]2)c(/N=C\c2ccccc2)n1-c1ccccc1 104284207 BEMABGSRTGXYOF-IWIPYMOSSA-N 396.475 5.193 30 40 GKEB N#Cc1ccccc1CO/N=C/c1ccc(OCc2cccc3ccccc23)cc1 408587875 AKQRCHOXERDSKX-OGLMXYFKSA-N 392.458 5.841 30 40 GKEB Cc1ccc(C(=O)/C=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 408692297 JGMUABJAZIURMP-MDWZMJQESA-N 394.312 6.061 30 40 GKEB COc1ccc([N+](=O)[O-])cc1/N=C\c1cc(C)n(-c2cccc(Cl)c2)c1C 408759625 IDESCKIKDLTCDO-UUYOSTAYSA-N 383.835 5.415 30 40 GKEB COc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 409199304 CETATOFNFIBXCK-ZVHZXABRSA-N 390.439 5.550 30 40 GKEB Cc1cccc(/N=C/c2cc(Br)c(O)c(Br)c2)c1C 409200121 GUFMFLNDQUMCLZ-QGMBQPNBSA-N 383.083 5.285 30 40 GKEB C/C(=C\C(=O)c1ccc(C)o1)Nc1ccc(Br)cc1Br 409362268 TUKZEGXBNDHQGE-VQHVLOKHSA-N 399.082 5.312 30 40 GKEB Cc1cc2c(cc1C(=O)/C=C/N(C)C)N(C(=O)c1ccccc1)C(C)(C)C[C@@H]2C 1554503627 VLQSYBAYWZOGAP-HHNLSAEISA-N 390.527 5.186 30 40 GKEB O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1Cl)Nc1ccc3ncccc3c12 848749 NRPGYVCZRGAYHM-QFIPXVFZSA-N 395.289 6.215 30 40 GKEB N#Cc1ccc(Oc2nc(-c3ccc(Cl)c(Cl)c3)nc3ccccc23)cc1 2289665 ZTGATMYEIJCTKG-UHFFFAOYSA-N 392.245 6.268 30 40 GKEB COc1ccc(/C=N/OCc2ccc(F)cc2Cl)cc1OCc1ccccc1 3341213 WYXOMJICRDLMOV-DHRITJCHSA-N 399.849 5.617 30 40 GKEB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/c1ccc2c(c1)oc1ccccc12 4359589 ITRUQIZYFTVJTD-BUVRLJJBSA-N 387.439 6.091 30 40 GKEB CCOc1cc(/C=N/c2ccccc2)cc(Cl)c1OCc1ccc(F)cc1 6959851 HZFUBBKMMASHGI-AFUMVMLFSA-N 383.850 6.207 30 40 GKEB CC[C@@H](C)c1ccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 7072902 JGYHBIJQEKLTSK-LSDHHAIUSA-N 382.529 5.276 30 40 GKEB N#Cc1ccc(-c2cc(-c3ccccc3Cl)c3cc(Cl)ccc3n2)cc1 8159997 YTBGKRSTSMRVTC-UHFFFAOYSA-N 375.258 6.747 30 40 GKEB CCC(C)(C)[C@@H]1CCc2sc3ncnc(N/N=C\c4ccc(F)cc4)c3c2C1 34106267 JWXYOWBUMUDXNB-RNSPVEPZSA-N 396.535 5.818 30 40 GKEB COc1cccc(/C=N/c2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)c1 59463815 ICJQGDRORFILDN-PCLIKHOPSA-N 384.504 6.545 30 40 GKEB CCCCCCCCCCCC[N+]1(C)CCN(c2ccc(/C=N/O)cc2)CC1 97971819 RDJSNRJUYRMACV-YYDJUVGSSA-O 388.620 5.682 30 40 GKEB CN1/C(=C\C=C\C=N\c2ccc([N+](=O)[O-])cc2)Sc2ccc3ccccc3c21 100933004 OGHQTFBDOYJOSW-VFQRANFRSA-N 387.464 6.090 30 40 GKEB COc1ccc(/N=c2/scc(-c3ccccc3)n2/N=C/C2CCCCC2)cc1 103372037 BOZFVPPNJJCJJH-HWFUBKEOSA-N 391.540 5.872 30 40 GKEB CCCCCCCCCCC(=O)N([C@@H](C)CC(C)C)[C@H]1C[C@@H](C)CC(C)(C)C1 104359773 HGOJUIFXBFNCIA-SGNDLWITSA-N 393.700 7.995 30 40 GKEB CCN1c2cc(C)c(/C=N/c3ccc(OC)c(Cl)c3)cc2[C@H](C)CC1(C)C 198098646 RWTUXPXDKSBVMC-FRQJIFLKSA-N 384.951 6.520 30 40 GKEB CCN1c2cc(C)c(/C=N/Nc3ccc([N+](=O)[O-])cc3)cc2C(C)=CC1(C)C 208510420 NCEMYYOSOACCBF-OEAKJJBVSA-N 378.476 5.371 30 40 GKEB C=CCOc1ccc(NC(=S)NCCSCc2cccc(Cl)c2)cc1 225300651 KATQSRRFQQKBBY-UHFFFAOYSA-N 392.977 5.125 30 40 GKEB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)c(C#N)c1 225763060 YSCLKIBWMSWEHP-QGZVFWFLSA-N 394.490 5.715 30 40 GKEB CCn1cc(/C=C2\C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)cn1 253508283 BLUXDDQLXIXNPG-HJVUXWOYSA-N 380.576 5.898 30 40 GKEB CCCCCCCCCCCC(=O)Nc1cccc(NC(=O)c2ccco2)c1 408683181 MHXCTQDNYSHBRS-UHFFFAOYSA-N 384.520 6.391 30 40 GKEB Fc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1N1CCOCC1 409138489 COVVRQIZDQAOIL-KOEQRZSOSA-N 376.431 5.205 30 40 GKEB C=CCn1c(SCc2ccc(C(C)(C)C)cc2)nnc1-c1ccc(F)cc1 2359623 PNDGJCCLGNDABC-UHFFFAOYSA-N 381.520 5.860 30 40 GKEB C(=N/Nc1ccc2ccccc2c1)\C1=C(Sc2nc3ccccc3o2)CCCC1 3191361 RTJCLAVGEMAIPV-PCLIKHOPSA-N 399.519 6.999 30 40 GKEB CN(C)c1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3c2ccc2ccccc32)cc1 4235623 SFGOOSWDDPIWLN-XMMPIXPASA-N 396.534 6.106 30 40 GKEB biogenic N#Cc1c(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)sc2c1CCCC2 5034784 FCLPFCKTMZWQBQ-UHFFFAOYSA-N 399.475 5.559 30 40 GKEB O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C/c1cccc2ccccc12 5551548 NOJVCKZURSGVNU-GZTJUZNOSA-N 399.302 6.038 30 40 GKEB COc1ccc2c(CC(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)coc2c1 5966312 NBYGBYYPIVSHGJ-UHFFFAOYSA-N 383.403 5.128 30 40 GKEB CCOc1ccc(/N=C/c2cc(Br)c(OCC)c(OCC)c2)cc1 6962125 CHXITVBXIQXMIT-FYJGNVAPSA-N 392.293 5.396 30 40 GKEB Cc1ccc(C)c2sc(N(Cc3ccncc3)C(=O)c3ccc(C#N)cc3)nc12 9317676 YRHWHRXVQAARDF-UHFFFAOYSA-N 398.491 5.027 30 40 GKEB CC(=O)O/N=C(\C)CC/C=C(/C)CC[C@@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@@]12C 9635657 NQRNQFVQINDGPA-MDJSHABJSA-N 387.608 7.231 30 40 GKEB C=CCn1c(C)cc(C(=O)COC(=O)c2ccccc2Oc2ccccc2)c1C 12600712 AWPBJVOFHVRTRV-UHFFFAOYSA-N 389.451 5.123 30 40 GKEB O=C1/C(=C\c2ccccc2)CCC/C1=C\c1ccc(O)c(CN2CCCCC2)c1 31872016 KQXDRRPPRVKAFE-SWRBISBUSA-N 387.523 5.598 30 40 GKEB C=C(C)C[C@@H]1N[C@@H]2CC(C)(C)[C@@H]1c1c(Br)ccc(Br)c12 102571095 LQZVTORZIAYQLZ-ZENOOKHLSA-N 399.170 5.704 30 40 GKEB CCCCCCCCCCNP(=O)(Oc1ccccc1)Oc1ccccc1 104362065 NYOQCHVVZYGZLF-UHFFFAOYSA-N 389.476 6.983 30 40 GKEB COc1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1 118916192 LJUDTXPEYPVAHO-IAFCJSLHSA-N 392.583 6.690 30 40 GKEB N=C1S/C(=C\c2ccccc2OCc2ccccc2)C(=O)[C@H]1c1nccs1 137970245 AYQNIHBOKHFKRB-NQQPCKHTSA-N 392.505 5.140 30 40 GKEB Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2cccc(Cl)c2Cl)S1 408849506 WJEWVCJTIVYALY-ZSOIEALJSA-N 397.714 5.847 30 40 GKEB C=CCc1cc(CNc2ccccc2)cc(OCC)c1OCc1cccc(F)c1 409118681 PLAGCOMTRKQLPV-UHFFFAOYSA-N 391.486 6.144 30 40 GKEB Cc1cc(/N=C/c2c(O)ccc3ccccc23)ccc1I 3232392 JFAGBDDVYUGNSX-RGVLZGJSSA-N 387.220 5.209 30 40 GKEB C/C(=N/OC(=O)c1ccccc1Br)c1ccc(Cl)c(Cl)c1 4199403 ZSHVBVNJRWBZEV-OCKHKDLRSA-N 387.060 5.337 30 40 GKEB CCOc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1OCc1ccc(F)cc1 6959847 FATLORATFUMGEY-VULFUBBASA-N 397.877 6.516 30 40 GKEB CCOc1ccc(/N=C/c2ccccc2OCC(=O)Nc2cccc(C)c2)cc1 6962604 PJYJWUOKXVWFFF-PCLIKHOPSA-N 388.467 5.162 30 40 GKEB CC[C@H](C)c1ccc([C@@H]2Sc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1 7449705 QTYJQCGTHBREMA-FYSMJZIKSA-N 391.580 7.102 30 40 GKEB COc1ccc(/C=C2\Oc3cc(OCc4ccc(Cl)cc4)ccc3C2=O)cc1 12374182 VODYDYAQZYSKKD-UUYOSTAYSA-N 392.838 5.544 30 40 GKEB biogenic CC(=O)N(c1nc(/C=C/C(=O)c2cccc(O)c2)cs1)c1c(C)cccc1C 12793768 BHMCLJPTUDFDEC-ZHACJKMWSA-N 392.480 5.046 30 40 GKEB O=C1/C(=C\c2cccs2)S/C(=N/c2ccccc2)N1CCc1ccccc1 13425471 YCLHWJHRABQPON-NXFOLNHESA-N 390.533 5.595 30 40 GKEB O/N=C/c1ccccc1OCc1nc2ccccc2nc1-c1ccc(Cl)cc1 16449072 MIEQCILXORJOSQ-ZMOGYAJESA-N 389.842 5.337 30 40 GKEB CCC(=O)Nc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1C 44660477 TYIJLLFOQCMEJW-UHFFFAOYSA-N 383.451 5.135 30 40 GKEB COc1ccccc1[C@H](CC/N=C/c1ccccc1O)[C@@H]1CCOC(C)(C)C1 100289353 RFBQGXKIZQGLDS-FYSVRGLLSA-N 381.516 5.199 30 40 GKEB biogenic CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)c(C#N)c1 225685433 TYGWYVGXOCTQPE-MRXNPFEDSA-N 396.918 5.839 30 40 GKEB Cc1cccc(-n2c(C)cc(/C=N/N(c3ccccc3)c3ccccc3)c2C)c1 408753206 FEJWMKPDVPRXTQ-ZXVVBBHZSA-N 379.507 6.575 30 40 GKEB CCc1cccc(C)c1-n1c(C)cc(/C=N\NC(=S)Nc2ccccc2)c1C 408960372 LGNZHSFXBZWYAV-IWIPYMOSSA-N 390.556 5.285 30 40 GKEB Oc1c(Cl)cc(Cl)cc1/C=N/c1ccccc1OCC(F)(F)C(F)F 1055372 PVKKSYQSZFWESR-HCGXMYGOSA-N 396.167 5.729 30 40 GKEB C=C(C)Cn1c(SCC)nc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 2275948 AKSJXQCUUIWGNY-CYBMUJFWSA-N 376.591 5.297 30 40 GKEB Fc1ccccc1-c1cn2c(ccc3c(C(F)(F)F)cc(C(F)(F)F)nc32)n1 4002742 YSHISWVQYBJHEK-UHFFFAOYSA-N 399.269 5.726 30 40 GKEB CCCCOc1ccc(C(=O)O/N=C2/CCCc3c2ccc(OC)c3C)cc1 5298427 DTNIPLUIUOYPPK-FLFQWRMESA-N 381.472 5.080 30 40 GKEB Cc1nc(-c2ccc(Cl)cc2)sc1/C(O)=N/c1nnc(C2CC2)s1 22738677 CMNIXVFGNVYJMD-UHFFFAOYSA-N 376.894 5.137 30 40 GKEB CCCCCCCCOc1ccc(C(=O)Oc2ccc(/C(C)=N/O)cc2)cc1 59663661 FAMKDYMGLREJOA-HKOYGPOVSA-N 383.488 5.843 30 40 GKEB COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3c(-c4ccccc4)cnn32)cc1 72333076 ISOQFAIBTNAITN-QHCPKHFHSA-N 399.494 5.217 30 40 GKEB CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@@H]1[C@@H]2c1ccccc1Cl 95482960 WOUVTKDIPNMELY-TZIWHRDSSA-N 389.882 5.382 30 40 GKEB CCCOc1ccc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)cc1 408863513 SJFOOCXVHVNIGE-WQRHYEAKSA-N 386.904 5.329 30 40 GKEB O=[N+]([O-])c1ccc(N/N=C/c2ccccc2OCc2cccc3ccccc23)nc1 408879960 GHFWBHXXMCAXDZ-AFUMVMLFSA-N 398.422 5.168 30 40 GKEB Oc1ccc(-c2ccccc2)cc1/N=C/c1cc2c(cc1Br)OCO2 3033601 LQIGADNAGKTLAH-SSDVNMTOSA-N 396.240 5.301 30 40 GKEB Cc1ccc(-c2nc3cc(/N=C/c4ccc(Cl)cc4Cl)ccc3o2)cc1 3087147 IRRCVAFDUOYSBX-WYMPLXKRSA-N 381.262 6.861 30 40 GKEB C/C(=N\Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1)c1ccc(N)cc1 4595647 MTHLDRAOIYXJGW-OGLMXYFKSA-N 379.467 5.229 30 40 GKEB CCC[C@H]1S/C(=N/N=C/c2ccc(Cl)cc2)N(Cc2ccccc2C)C1=O 4973885 OHQOLFYVGAZDOH-LXYRJJAWSA-N 399.947 5.283 30 40 GKEB C=CCN(CC=C)Cc1c(O)ccc2oc(C)c(C(=O)Nc3ccccc3C)c12 5182766 AYZRRYAALQGXSE-UHFFFAOYSA-N 390.483 5.182 30 40 GKEB COc1c(Br)cc(/C=N/c2ccccc2C)cc1Br 5548987 ACBNQCGTQYTSKF-GIJQJNRQSA-N 383.083 5.279 30 40 GKEB CCCOC(=O)Nc1ccccc1/N=C1\CCC\C1=C\c1ccc(Cl)cc1 6593348 XWQOGTZBSYDUHU-QENAVDQESA-N 382.891 6.639 30 40 GKEB CC(C)(C)c1ccc(C(=O)Oc2ccc(/C=C\C(=O)c3ccccc3)cc2)cc1 12855957 DRCUYOHCSHEMBA-WQRHYEAKSA-N 384.475 6.099 30 40 GKEB CCCCCCCC/C=C/CCCCCCCC(=O)NCCCOC(C)C 104109886 QXRJLSIDXTWQBF-VAWYXSNFSA-N 381.645 6.955 30 40 GKEB C=CCSc1nnc(NC(=O)c2ccccc2SCc2ccccc2)s1 224192849 YJJIBAIHRXUPOT-UHFFFAOYSA-N 399.566 5.361 30 40 GKEB C=CCOc1ccc(NC(=S)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cc1 225679790 WVLMVCUKUHIPIR-IBGZPJMESA-N 382.529 5.149 30 40 GKEB COc1ccc(/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cn1 408738548 LUJREIPMZVNAGX-SRZZPIQSSA-N 384.277 5.011 30 40 GKEB O=C1C(=Cc2ccc(OCc3ccc4ccccc4c3)cc2)C(=O)c2ccccc21 408915540 XLQLJFFRAPTMMX-UHFFFAOYSA-N 390.438 5.881 30 40 GKEB Cc1cc(C)cc(N=C2NC(=O)/C(=C/c3ccc(-c4cccc(F)c4)o3)S2)c1 409012360 JLHKQSSPMQKSFQ-NDENLUEZSA-N 392.455 5.594 30 40 GKEB COc1cc(Br)cc(/C=N/c2ccc3c(c2)oc2ccccc23)c1O 826561 SQSSZOGVURMJKU-SSDVNMTOSA-N 396.240 5.813 30 40 GKEB Cc1cc(-c2ccc(/C=C3/Sc4ccccc4C3=O)o2)c(C)c([N+](=O)[O-])c1 1438860 ZHXJJMYTUNIQPF-RGVLZGJSSA-N 377.421 5.801 30 40 GKEB CSc1nc(Cl)c(/C=N/Nc2ccc(Cl)cc2Cl)c(Cl)n1 4280853 VZYSLEJHGLODIK-YAXRCOADSA-N 382.103 5.258 30 40 GKEB C/C(=N\Nc1ccc(Br)cc1)c1ccc2c(c1)c1ccccc1n2C 4561491 SHKVEAOETGNVPO-OEAKJJBVSA-N 392.300 5.930 30 40 GKEB CCCCCCOc1ccc(/C=N/c2ccc(C(=O)OCCCC)cc2)cc1 6130005 MKPUCYFWMJISAK-NCELDCMTSA-N 381.516 6.353 30 40 GKEB C[C@@H]1C[C@H](N(CCC#N)/C(S)=N/c2cccc3ccccc23)CC(C)(C)C1 6437951 RUODPUXJTGTBHK-MJGOQNOKSA-N 379.573 6.188 30 40 GKEB C[C@H](c1ccccc1)n1c(SCc2cccc(C#N)c2)nc2ccccc2c1=O 7251658 ADAMMVZLPADFIV-QGZVFWFLSA-N 397.503 5.170 30 40 GKEB O=C(C/C=N/OCc1ccccc1F)c1cnc(-c2ccc(Cl)cc2)s1 8672057 ZDLXZQRPOYJVSL-AUEPDCJTSA-N 388.851 5.378 30 40 GKEB CC(C)(C)c1ccc([C@H]2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1 17511198 AJARYOILHGIRID-NRFANRHFSA-N 383.491 5.286 30 40 GKEB C/C(=N\N1CCN(Cc2ccccc2Cl)CC1)c1ccc2ccccc2c1 19835464 VCUKDRZZVYKYKN-XIEYBQDHSA-N 377.919 5.035 30 40 GKEB CCCSc1nnc(/N=C(\O)c2sc3cc(F)ccc3c2Cl)s1 27748519 MZHRRNDURDDFOR-UHFFFAOYSA-N 387.914 5.684 30 40 GKEB CCCCCCCCCCCc1nnc(NC(=O)Nc2ccccc2F)s1 97951618 RVMQYPIISHOYNH-UHFFFAOYSA-N 392.544 6.395 30 40 GKEB Cc1ccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 408629326 XBDXVKJXLWZIMD-OAHLLOKOSA-N 382.529 5.097 30 40 GKEB Cc1ccc(-n2c(C)cc(/C=N\c3ccc(-c4ccccc4)cc3)c2C)cc1C 408739917 GNHFYJAGFQSJET-VEILYXNESA-N 378.519 7.129 30 40 GKEB CC[C@H](C)N1C(=O)/C(=C\c2ccc3c(c2)OCO3)S/C1=N\c1ccc(C)cc1 408916348 WMTWKZKHWPSWNR-VDFQJZMXSA-N 394.496 5.126 30 40 GKEB COc1ccccc1/C=N/c1ncnc2oc(-c3ccco3)c(-c3ccco3)c12 408975263 LMPBSTOVWWYQOY-FSJBWODESA-N 385.379 5.502 30 40 GKEB O=[N+]([O-])c1cccnc1N/N=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 409073392 HIYSTPLPSPKZET-UKWGHVSLSA-N 377.187 5.003 30 40 GKEB Cc1cc(N2CCC(Cc3ccccc3)CC2)n2c(nc3ccccc32)c1C#N 1472956 RTEQVSKCAATGJK-UHFFFAOYSA-N 380.495 5.127 30 40 GKEB Cc1c2c(c(C)c3c1[nH]c1ccccc13)[C@@H](C#N)N(C(=O)c1ccccc1)C=C2 1572300 JGENIMKZFTZVGX-OAQYLSRUSA-N 377.447 5.629 30 40 GKEB C[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)c2C#N)C1 1959688 OOZSJLJJJNSWMP-TZOMUSMUSA-N 391.323 5.703 30 40 GKEB C=C1C(Cl)=C(c2ccc(C)cc2)Oc2ccccc2[C@H]1c1ccc(OC)cc1 2107645 YRGGHHJUEBPGNT-HSZRJFAPSA-N 388.894 6.692 30 40 GKEB biogenic CCCCCCCc1c(C)nc(Nc2nc(C)c3cc(C)c(C)cc3n2)[nH]c1=O 2215088 OIIOXFHQZHSGJH-UHFFFAOYSA-N 393.535 5.203 30 40 GKEB C=CCn1c(SCC(=O)c2ccccc2)nnc1-c1ccc(C(C)(C)C)cc1 2454283 BMKRHMAPWQRRPT-UHFFFAOYSA-N 391.540 5.404 30 40 GKEB CSc1ccc([C@H]2C3=C(CCCC3=O)Nc3c2c(C)nn3C(C)(C)C)cc1 4979874 GZUNOPLXDJFHMZ-LJQANCHMSA-N 381.545 5.233 30 40 GKEB C=CCn1c(-c2ccc(Cl)c(Cl)c2)cs/c1=N/c1ccc(C)cc1 27028522 SWLXSUXRKZXQSJ-ZBJSNUHESA-N 375.324 6.250 30 40 GKEB Cc1sc(NC(=O)c2ccc(COc3ccccc3Cl)o2)c(C#N)c1C 28230903 NFBCINWBIJAVNY-UHFFFAOYSA-N 386.860 5.314 30 40 GKEB Cc1ccc(-c2nc(N/N=C/c3cccc4ncccc34)nc3ccccc23)cc1 46085390 MAMTVQSYXRREIW-JVWAILMASA-N 389.462 5.599 30 40 GKEB COc1cccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccccc2)c1 89467207 RHPODUSZPDMSOD-FOCLMDBBSA-N 380.447 5.444 30 40 GKEB O=C1/C(=C/c2ccc(O)cc2)S/C(=N\c2ccccc2)N1C1CCCCC1 100462557 LBWGCWVCUQCEBL-BLFRMDKKSA-N 378.497 5.329 30 40 GKEB CN(C)c1ccc(/C=C/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)cc1 100912845 NTEJKIVCTIFADD-JKOOEIKCSA-N 397.434 6.153 30 40 GKEB C[C@@H]1CCc2c(sc(/N=C/C(Br)=C/c3ccccc3)c2C#N)C1 102931628 NJOWNWZHZWXHSL-DIBITZMBSA-N 385.330 5.883 30 40 GKEB CCCCCCCCCCCCCCCCCC1=NC(C)(C)CN1C[C@H](C)O 104326587 BTAJSNVXTOHSCD-QHCPKHFHSA-N 394.688 7.121 30 40 GKEB C[C@@]12CCC(=O)C=C1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(O)C#Cc1ccccc1 253617510 RRBUVKVCPPYRAS-IRCHXDIHSA-N 388.551 5.301 30 40 GKEB CC(C)N(CCCON=C1CCCC/C1=C/c1ccc(Cl)cc1)C(C)C 299888260 BURFYXOPVVMBNO-SDHVLHHJSA-N 376.972 6.179 30 40 GKEB CCc1cccc(C)c1-n1c(C)cc(/C=N/c2cc(C(=O)O)ccc2Cl)c1C 408845097 FESVYTBBNJPQTC-DHRITJCHSA-N 394.902 6.067 30 40 GKEB CCOc1cccc(/C=C2/S/C(=N\c3cc(C)ccc3C)N(CC)C2=O)c1 408905638 BUONTWOGEVBVJW-QNQNADBQSA-N 380.513 5.326 30 40 GKEB CCOc1ccccc1/C=C1/S/C(=N\c2ccc(C)cc2)N(CC(C)C)C1=O 408907540 BEWZFUBTBNECPH-NFEGURHZSA-N 394.540 5.654 30 40 GKEB COC(=O)c1ccccc1/N=C\c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O 409080455 IADLTLDVLNPZNM-YSMPRRRNSA-N 389.495 5.397 30 40 GKEB COc1ccc(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)cc1Cl 409092275 UZTVCJKKJALTEU-VULFUBBASA-N 395.930 6.273 30 40 GKEB C=CCc1cc(CNc2ccc(OC)cc2)cc(OC)c1OCc1ccccc1 409120200 UZRSPVLPNWDXBR-UHFFFAOYSA-N 389.495 5.623 30 40 GKEB CCOC(=O)c1ccc(/N=C/c2cc(Cl)c(O[C@@H](C)CC)c(OC)c2)cc1 409387773 QKFCBUIYUHFXDF-WQEJZQBCSA-N 389.879 5.453 30 40 GKEB O=C1c2ccccc2N[C@H](c2cccc(Cl)c2)N1/N=C/c1cccc(Cl)c1 2098457 ZAVZPRHISGHJFE-AFEQLLIESA-N 396.277 5.594 30 40 GKEB COc1c(Cl)cc(Cl)cc1/C=N/Nc1nc(C)cc(-c2ccccc2)n1 4154987 JPUVWXWIDILDFV-SSDVNMTOSA-N 387.270 5.213 30 40 GKEB Clc1cccc(N/N=C/c2ccc(/C=N/Nc3cccc(Cl)c3)cc2)c1 4924640 MSTDXMJHXSFISA-RNIAWFEPSA-N 383.282 5.885 30 40 GKEB Brc1ccc(-c2ccc(/C=N/Nc3nc4ccccc4[nH]3)o2)cc1 5457924 HIWHPSBBUHMBJI-RGVLZGJSSA-N 381.233 5.031 30 40 GKEB CCOc1cc(/C=N/c2ccc(CC)cc2)ccc1OCc1ccc(Cl)cc1 8084891 IFMYUPITIHIHGK-WGOQTCKBSA-N 393.914 6.631 30 40 GKEB Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2ccc(N3CCCC3)cc2)S1 59224418 DPOIBLRWLGFCIF-UNOMPAQXSA-N 397.931 5.140 30 40 GKEB CCCCCCCCSc1cc(C(N)=O)cc(SCCCCCC)n1 68569540 AIQUNHBOHRZYRY-UHFFFAOYSA-N 382.639 6.306 30 40 GKEB biogenic C[C@H](Oc1ccc(-c2ccccc2)c(F)c1)C(=O)/C=C/Nc1ccc(Cl)cc1 100096491 MIGPSMVPSKDBFH-VUSFMPOISA-N 395.861 6.108 30 40 GKEB C=CCOC(=O)/C=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 226336680 OSRACOHWDPHKNG-RMKNXTFCSA-N 393.266 5.323 30 40 GKEB Cc1ccc(Cn2cc(/C=N/OCc3cccc([N+](=O)[O-])c3)c3ccccc32)cc1 408593089 OXUZQNHEPZVZLM-AFUMVMLFSA-N 399.450 5.457 30 40 GKEB O=C(COc1ccc(/C=N\c2cc(Cl)cc(Cl)c2)cc1)Nc1ccccc1 408802561 YUCXPSCPNAXSAL-CFRMEGHHSA-N 399.277 5.762 30 40 GKEB CC[C@@H](C)N1C(=O)/C(=C\C=C\c2ccccc2)S/C1=N\c1ccc(C)cc1 408916350 WNZBISBEYNUOOQ-GCNRAEFBSA-N 376.525 5.954 30 40 GKEB C#CCn1c(C)c(/C=N\Nc2c(F)c(F)c(F)c(F)c2F)c2cccc(C)c21 409034714 NWSMJUAQLUERLL-WMDMUMDLSA-N 391.343 5.033 30 40 GKEB Cc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)cc1 409090025 OEHQKNTWAKJDFW-RSXNERHXSA-N 384.932 5.908 30 40 GKEB CC(C)COc1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 409092432 YCECSNBKUDZCIO-LSHDLFTRSA-N 381.354 5.094 30 40 GKEB O=C1CCCC2=C1[C@H](c1ccccc1)CC(=O)N2c1cccc(C(F)(F)F)c1 1079922 BNQZKWVYYGOLQV-KRWDZBQOSA-N 385.385 5.233 30 40 GKEB O=C1CCCC2=C1[C@H](c1ccsc1)CC(=O)N2c1cccc(C(F)(F)F)c1 1080483 IQRDANKRWOULMV-HNNXBMFYSA-N 391.414 5.295 30 40 GKEB CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@@H]2c1ccc(Cl)cc1)OCCO3 4794469 HRQGHUYOZKFBSZ-NRFANRHFSA-N 395.886 5.312 30 40 GKEB CCOc1c(Br)cc(Br)cc1/C=N/c1ccccc1 5335970 GHPZGRASTFZMRS-VCHYOVAHSA-N 383.083 5.361 30 40 GKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSc3ccccc3N)c2C#N)C1 9273620 IORXZRNLJHDKSS-ZDUSSCGKSA-N 399.585 5.084 30 40 GKEB CCOc1ccc(-n2c(C)cc(/C=N/NCc3ccc(Cl)cc3)c2C)cc1 10118975 YURIJRGKJSTGOB-MFKUBSTISA-N 381.907 5.270 30 40 GKEB CCN1C/C(=C/c2ccc(SC)cc2)C(=O)/C(=C/c2ccc(SC)cc2)C1 12604476 SFORYGQDOYEGTA-LRVMPXQBSA-N 395.593 5.502 30 40 GKEB O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1cccc(C#Cc2ccccn2)c1 32908452 MFQGHKWNNMMONW-ACCUITESSA-N 392.380 5.152 30 40 GKEB CC1CCN(CC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)CC1 408526471 BMSXFUQQSIJXBT-UHFFFAOYSA-N 399.494 5.156 30 40 GKEB CCN1C(=O)/C(=C\c2c(C)[nH]c3ccccc23)S/C1=N\c1c(C)cccc1C 408910782 KUQAEICPEFLYQB-UHCYRAGWSA-N 389.524 5.717 30 40 GKEB Cc1cc(/N=C/c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)ccc1F 408942787 LGSHSOWMOHPWLK-BHGWPJFGSA-N 384.838 5.644 30 40 GKEB CCOc1ccccc1/N=C\c1ccccc1OCc1ccc(C(=O)O)cc1 408959880 HJBCUQZJEOEEGT-IWIPYMOSSA-N 375.424 5.113 30 40 GKEB COc1ccc(/C=N/c2ncnc3oc(-c4ccco4)c(-c4ccco4)c23)cc1 408974263 DQNTYYWINRTJHG-FSJBWODESA-N 385.379 5.502 30 40 GKEB Oc1ccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)c(O)c1 408979660 ROFZQBIQZBYWGH-YDZHTSKRSA-N 378.497 6.020 30 40 GKEB CC(C)OC(=O)COc1ccc(/C=N/c2ccc(Nc3ccccc3)cc2)cc1 409186747 HJMXOGGUYHCPJH-PCLIKHOPSA-N 388.467 5.511 30 40 GKEB Cc1cccc(/N=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(Cl)c2)c1C 409216904 MFKCJGJSFFXNST-DHRITJCHSA-N 393.870 5.985 30 40 GKEB C(=N/Nc1nc(-c2ccccc2)cs1)\c1ccccc1OCc1ccccc1 4975306 DEQRMEWGZFRELP-BUVRLJJBSA-N 385.492 5.835 30 40 GKEB CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1sccc1C 5452225 BEWGLMAZVOCWGG-FQEVSTJZSA-N 380.513 5.219 30 40 GKEB COc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OCc1ccc(C)cc1 8372974 VIUFZGDHKHNVCT-VULFUBBASA-N 393.914 6.603 30 40 GKEB CCCCCCCCCC(=O)Nc1nc(-c2ccccn2)cc2ccccc12 8451284 VOTKZOYATSERIT-UHFFFAOYSA-N 375.516 6.376 30 40 GKEB O=S(=O)(/N=C(/Sc1ccccc1)c1ccccc1)c1ccc(Cl)cc1 12729613 ZJRAJXNBOUSIOE-XUTLUUPISA-N 387.913 5.268 30 40 GKEB BrC(/C=N/N(c1ccccc1)c1ccccc1)=C/c1ccccc1 33611853 ACRGHOUKDZLELR-MRDIXRINSA-N 377.285 6.247 30 40 GKEB Cc1cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)sc1C 55823544 UXLQAEJCYOHWNG-UHFFFAOYSA-N 376.481 5.262 30 40 GKEB Cc1ccccc1/N=C1\C=C(N2CCCC2)c2noc3c2c1c(O)c1ccccc13 95481560 QSGRQHSTNJLVBJ-LGUFXXKBSA-N 395.462 5.566 30 40 GKEB CCc1cccc(NC2=C(c3ccc(C(F)(F)F)cc3)C(=O)c3ccccc32)c1 101092725 ZZLJCYGUMYJWDX-UHFFFAOYSA-N 393.408 6.445 30 40 GKEB Cc1ccc(-c2nc3ccc(/N=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3o2)cc1 102417477 DFZBMNDNIYMQEJ-FSJBWODESA-N 391.814 6.115 30 40 GKEB O=[N+]([O-])c1ccc(N/N=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 408912712 RSGXWDSSVXPEAD-JMIUGGIZSA-N 376.199 5.608 30 40 GKEB Clc1ccc(COc2ccc(Cl)cc2/C=N/c2ccccc2)c(Cl)c1 409215061 ZKMVWZOIUZSZBH-WYMPLXKRSA-N 390.697 6.976 30 40 GKEB C=CCO[C@H]1CC2(CCN(Cc3ccc(F)c(F)c3)CC2)c2ccc(C)cc21 2055806623 BAQSGBOQWREHDL-QHCPKHFHSA-N 383.482 5.454 30 40 GKEB COc1cc(/C=N/c2ccc(-c3ccc(O)cc3)cc2)cc(Br)c1O 1085060 FQLRNFUXWOPYGV-WSDLNYQXSA-N 398.256 5.287 30 40 GKEB CCCCCCCc1ccc(-c2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 2027982 YKBCFEUIUICTLQ-UHFFFAOYSA-N 381.501 6.293 30 40 GKEB CCCCc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 2742334 QCFXCLHNYBCFKE-UHFFFAOYSA-N 395.265 5.436 30 40 GKEB COc1cc(C(=O)Oc2ccccc2C#N)ccc1OCc1ccc(Cl)cc1 3425101 ACZXPCBDGHCBNC-UHFFFAOYSA-N 393.826 5.018 30 40 GKEB Cc1cc(C#N)c(SCC(=O)c2cccc(Cl)c2)nc1-c1cccs1 4702705 ZYKNEWCXCAHATH-UHFFFAOYSA-N 384.913 5.619 30 40 GKEB Clc1cccc(/C=N/Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)c1 5052116 NHRCBJUUWOQQDC-ZMOGYAJESA-N 393.277 6.050 30 40 GKEB Cc1c(C(=O)/C=C/c2cccs2)c(C)c([N+](=O)[O-])c(C(C)(C)C)c1[N+](=O)[O-] 5212027 CBBIVEJXKUKUDY-CMDGGOBGSA-N 388.445 5.375 30 40 GKEB Cc1c(Cl)cccc1/N=C\c1cccc(OCC(=O)Nc2ccccc2)c1 8278139 AYTQQDLFPAYWDW-OYKKKHCWSA-N 378.859 5.417 30 40 GKEB O=C1/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)Sc2ccccc21 12377207 OBTDTAYVYODUTL-FYJGNVAPSA-N 389.432 5.503 30 40 GKEB CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C)cc1 21722403 BJNVBMHFWMJYEZ-XMMPIXPASA-N 388.511 5.548 30 40 GKEB CCCCCCCCC1(CCCCCCCC)N=C(c2ccccc2)C=[N+]1[O-] 102997169 WEOXHYFXULCJIT-UHFFFAOYSA-N 384.608 7.268 30 40 GKEB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N\Nc3ccc(C(=O)O)cc3)cc21 208249555 CDPOQTXZGMZOAY-JFVYAULHSA-N 385.895 5.206 30 40 GKEB C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccccc1)C2=O 253617265 PORULZDRKHXBSZ-GKMYNCETSA-N 376.540 5.573 30 40 GKEB N#Cc1ccccc1COc1ccc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc1 408565045 BBNDEUFZJCMTOG-HSZRJFAPSA-N 397.434 5.027 30 40 GKEB CCOC(=O)c1ccc(/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)cc1 408732430 RIBPFIIWWMXAMK-WSDLNYQXSA-N 398.802 5.436 30 40 GKEB C=CCOc1ccc(-n2c(C)cc(/C=N\Nc3ccc([N+](=O)[O-])cc3)c2C)cc1 408911454 NJVHIUHWAXTLIG-HAHDFKILSA-N 390.443 5.013 30 40 GKEB COC(=O)c1ccc(/N=C/c2cccn2-c2cccc(C(F)(F)F)c2)c(C)c1 408931355 KNAKSLAUWDECKI-DHRITJCHSA-N 386.373 5.342 30 40 GKEB CCc1cccc(C)c1-n1c(C)cc(/C=N\c2ccc(O)c(C(=O)O)c2)c1C 408960845 ORJXGVGUSRDAOK-CFRMEGHHSA-N 376.456 5.119 30 40 GKEB CCCCCCCCCn1c(NCc2c[nH]c3ccccc23)nc2ccccc21 2260180 YRMZMYYHOABTBE-UHFFFAOYSA-N 388.559 6.880 30 40 GKEB CC(C)Oc1ccc(/C=N/CC[C@@]2(c3ccccc3)CCOC(C)(C)C2)cc1 2277241 FSNLOUKHIGYNAU-SUOUMBACSA-N 379.544 5.810 30 40 GKEB Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1/C=N/Nc1ccc(Cl)cc1 4927945 OZVUYZGVMINJRS-UFFVCSGVSA-N 379.678 5.587 30 40 GKEB O=[N+]([O-])c1ccc(-c2ccc(/C=N/Nc3ncc(Cl)cc3Cl)o2)cc1 6753869 ZVSTVPFJBULVHA-AWQFTUOYSA-N 377.187 5.003 30 40 GKEB C=CCn1c(SCCCC#N)nc2sc(-c3ccccc3)c(C)c2c1=O 7060694 SZRIFGMQIARJTL-UHFFFAOYSA-N 381.526 5.015 30 40 GKEB Cc1ccccc1/N=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 8570827 IUSPJYRGPMHTMT-BRJLIKDPSA-N 388.269 6.771 30 40 GKEB Clc1ccc(CN/N=C/c2cccc(OCc3cccc(Cl)c3)c2)cc1 10119032 RFCXUGCAURDLSS-AFUMVMLFSA-N 385.294 5.696 30 40 GKEB C=C(CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 30729666 INDVLXYUCBVVKW-VOWOZTGGSA-N 398.675 7.555 30 40 GKEB Cc1ccc(C)c(OCc2ccc(-c3nc(C#N)c(NCc4ccco4)o3)o2)c1 33027056 SASCOKPBRDGEAD-UHFFFAOYSA-N 389.411 5.207 30 40 GKEB CCCCCCCNCc1c(OCc2ccccc2Cl)ccc2ccccc12 102568314 ZHWQVAILVSSQSN-UHFFFAOYSA-N 395.974 7.132 30 40 GKEB CCN1/C(=C\C(=O)C(Cl)(Cl)Cl)C(C)(C)c2c1ccc1ccccc21 102933630 FLRUEXUFMPRZOI-PTNGSMBKSA-N 382.718 5.781 30 40 GKEB CCCCCCCC[C@H]1O[C@@H]1CCCCCCCC(=O)N1CCN(C)CC1 104109797 NSJGDYUFCVUWFO-FGZHOGPDSA-N 380.617 5.009 30 40 GKEB C=CCN1C(=O)/C(=C/c2ccc3c(c2)C(C)=CC(C)(C)N3C(C)C)SC1=S 223493210 WXYJAUGZSVGRTN-UNOMPAQXSA-N 398.597 5.484 30 40 GKEB C=CCOc1ccc(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1 408568803 URLPWBHNPYFJDQ-OQKWZONESA-N 389.882 6.084 30 40 GKEB C=CCOc1ccc([C@@H]2Nc3ccc(Oc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1 408736226 MNJGRHNZOXRUPG-DXBVXKBHSA-N 395.502 6.870 30 40 GKEB Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 408753766 CKKLPSIADRJEPH-UHFFFAOYSA-N 396.273 5.864 30 40 GKEB COc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)ccc1O 408939260 MDLUVSUEKKPUQK-ORHZYQNESA-N 396.490 5.978 30 40 GKEB C#CCOc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 409079497 GIECAUDAUNDBMU-STPJHCLOSA-N 376.525 5.533 30 40 GKEB Cc1cccc(/N=C/c2cc(Cl)ccc2OS(=O)(=O)c2ccccc2)c1C 409212559 QQXFPCDLTOADKB-OEAKJJBVSA-N 399.899 5.475 30 40 GKEB N#Cc1ccccc1-c1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)o1 409348977 TYNNHZDBMJGYDD-XDHOZWIPSA-N 388.473 5.224 30 40 GKEB CC[C@H](C)Oc1c(Cl)cc(/C=N\c2cccc(C(=O)OC)c2)cc1OC 409387854 SEQUQPCNEVQYJN-QGNWGPJTSA-N 375.852 5.063 30 40 GKEB CCOc1ccc(/N=C2/C(=O)N3c4c2cc(OCC)cc4[C@@H](C)CC3(C)C)cc1 1409958 NYNRNYMZNADYAA-UVWSQDQSSA-N 392.499 5.237 30 40 GKEB C=CC[n+]1c(-c2ccc(C)cc2)csc1Nc1cccc(C(F)(F)F)c1 3333007 TVYFGKIFTHUNBE-UHFFFAOYSA-O 375.439 5.959 30 40 GKEB CCCCCCOc1ccc(/C=N/c2ccc(CCCCCC)cc2)c(O)c1 3894678 SRDBXBLEAALBRE-LHLOQNFPSA-N 381.560 7.225 30 40 GKEB C[C@@H]1CCc2sc(NC(=O)c3ccccc3Oc3ccccc3)c(C#N)c2C1 4069988 MTGYTNWTPRGVJN-OAHLLOKOSA-N 388.492 5.789 30 40 GKEB C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\c1cccc(F)c1 4651566 UJLUQXYREFDZQR-FEUOJKLQSA-N 390.502 5.863 30 40 GKEB Cc1cccc2cc(C#N)c(SCC(=O)Nc3cccc4ccccc34)nc12 4849041 WKNZGLTVAOXKHQ-UHFFFAOYSA-N 383.476 5.299 30 40 GKEB O=C(/C(=C/c1ccc2ncccc2c1)c1nc2ccccc2s1)c1ccccc1 5447263 UOFCHTCVGFXOSX-SILNSSARSA-N 392.483 6.268 30 40 GKEB CCc1ccc(/N=C2\NC(=O)[C@@H](Cc3cc(Cl)ccc3Cl)S2)cc1 5809655 FFPNZQMJEHZIDU-MRXNPFEDSA-N 379.312 5.018 30 40 GKEB Cc1c(Cl)cccc1/N=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1 8278028 GUIMATUHEFQHOP-HYARGMPZSA-N 385.872 5.167 30 40 GKEB CC(=O)N(c1nc(COc2ccc(C#N)cc2)cs1)c1c(C)cc(C)cc1C 12934843 YXKNFAWBAJWRHH-UHFFFAOYSA-N 391.496 5.204 30 40 GKEB Cc1cc(Br)ccc1N/C=C/C(=O)c1ccc(Br)cc1 44975016 SZEVAMWZIXSBPC-CMDGGOBGSA-N 395.094 5.329 30 40 GKEB CCCCCCCCCCOc1ccc(NC(=O)Nc2cc(C)ccc2C)cc1 98001313 RAZHCVNVPIVGIT-UHFFFAOYSA-N 396.575 7.467 30 40 GKEB CCCCCCCCCCCCCCCCn1cnc2c(S)ncnc21 104189474 XGATUUOKWZMARW-UHFFFAOYSA-N 376.614 6.596 30 40 GKEB COc1cccc(C(=O)/C=C/Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 107650864 SWKPCOBKFCUKBG-AATRIKPKSA-N 389.295 5.541 30 40 GKEB Cc1ccc(/N=C2/S/C(=C/c3cn(C(C)C)c4ccccc34)C(=O)N2C)cc1 409160063 PKBXPXXFJPSQGI-XDDJCLIKSA-N 389.524 5.764 30 40 GKEB Cc1ccc(/N=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1[N+](=O)[O-] 409245354 RJJSVUOQQSQESP-AFUMVMLFSA-N 387.414 5.796 30 40 GKEB Cc1ccc(Cl)cc1-n1c(C)cc(C=C2C(=O)c3ccccc3C2=O)c1C 1014920 AWPYYZPHKNWAHT-UHFFFAOYSA-N 375.855 5.519 30 40 GKEB CCCOc1ccc(/C=N/NC(=S)Nc2cccc(C)c2C)c(OCCC)c1 3266217 KZFYTRVYWKOEDX-HZHRSRAPSA-N 399.560 5.202 30 40 GKEB C=CCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(C)cc4)=NN32)cc1 4281983 RMEPKQWWVDQZPC-AOYPEHQESA-N 396.490 5.802 30 40 GKEB COc1ccc(N/N=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)cc1 4996062 CHOSCUCUYNRMOT-LHLOQNFPSA-N 384.464 5.312 30 40 GKEB C=C(Cl)CSc1nnc(-c2ccc(OC)c(OC)c2)n1C1CCCCC1 6140815 KDYYVOQWCWFRHA-UHFFFAOYSA-N 393.940 5.312 30 40 GKEB C/C(=N/Nc1ncnc2sc3c(c12)CCCC3)c1ccc(Cl)c(Cl)c1 13305982 VJJBYTQWZQIUSX-RMORIDSASA-N 391.327 5.713 30 40 GKEB COc1ccccc1CN/N=C/c1c(C)n(Cc2ccc(C)cc2)c2ccccc12 20763579 DVMIKYCFSXNBOE-OGLMXYFKSA-N 397.522 5.439 30 40 GKEB C[C@]12CCCC[C@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(O)C#Cc1ccccc1 245241030 WMAFYLBLTLVKOY-PDCWIZPSSA-N 376.584 6.202 30 40 GKEB C[C@H]1CCc2c(sc(NC(=O)c3ccc(-c4cccc(Cl)c4)o3)c2C#N)C1 408628802 AQLCVOCHAWVUGS-LBPRGKRZSA-N 396.899 5.910 30 40 GKEB O=[N+]([O-])c1ccc(N/N=C\c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)cc1 409092620 XKAVMWHRUGOBLJ-OYKKKHCWSA-N 391.471 5.214 30 40 GKEB Cc1ccc(-c2ccc(/C=N\c3ccc([N+](=O)[O-])cc3)o2)c(Br)c1 409239916 OJOOZZXFJRCSHY-JAIQZWGSSA-N 385.217 5.676 30 40 GKEB Clc1ccc(-c2cs/c(=N\N=C\c3ccccc3)n2Cc2ccco2)cc1 1466394 OSYQYWSAJYXGJL-CPMJGDOVSA-N 393.899 5.446 30 40 GKEB Cc1cc(O)c(/C=N/c2ccc3oc(-c4ccc(C(C)(C)C)cc4)nc3c2)cc1C 3170310 NOPYPSSPSPZWCK-JFLMPSFJSA-N 398.506 6.865 30 40 GKEB C=CCn1c(SC(c2ccccc2)c2ccccc2)nnc1-c1ccccc1 3319557 ABZMGYWKWVKWRZ-UHFFFAOYSA-N 383.520 6.013 30 40 GKEB CCc1ccc2nc(SCC(=O)Nc3c(C)cccc3C)c(C#N)cc2c1 4848920 XDNFMQKQMNWGNH-UHFFFAOYSA-N 375.497 5.017 30 40 GKEB O=[N+]([O-])c1ccc(Cl)c(-c2ccc(/C=N/Nc3ccc(Cl)cc3)o2)c1 5569750 DDVNFKFRUPNQBG-KEBDBYFISA-N 376.199 5.608 30 40 GKEB Cc1cc(/C=N/Nc2nc3ccccc3n2C)c(C)n1-c1ccc(Cl)cc1 7343439 KBAVSQZQRSYBSI-YDZHTSKRSA-N 377.879 5.080 30 40 GKEB CCN1C(=O)/C(=C\c2cc(Cl)ccc2OC)S/C1=N\c1ccc(C)cc1 8362904 KTXRBHBPVSXNTI-FTIPTLOASA-N 386.904 5.281 30 40 GKEB Cc1ccc(-c2c(C#N)cnc3c(/N=N\c4ccccc4Cl)c(N)nn23)cc1 13147204 LPCOESHABCJBQS-QPLCGJKRSA-N 387.834 5.227 30 40 GKEB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC/C2=N\N=C\C=C\c1ccccc1 20572595 CNATZRJRPIOVRF-JIQHNTDUSA-N 398.550 6.389 30 40 GKEB CCCN(CCC)Cc1c(O)ccc2c1O/C(=C\c1ccccc1OCC)C2=O 20647283 AJQRVJWBVAKTAL-JCMHNJIXSA-N 395.499 5.029 30 40 GKEB CC(C)c1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 33377772 POENUGCOMBBZNU-LSHDLFTRSA-N 390.339 6.686 30 40 GKEB COc1ccc(/C=C/C(=O)c2cccc(N3Cc4cc(C)c(C)cc4C3)c2)cc1 59503644 NOXYGOAUUWTFPE-FMIVXFBMSA-N 383.491 5.728 30 40 GKEB Fc1ccc(C(F)(F)F)cc1/C=N/Nc1c(Cl)cc(Cl)cc1Cl 66088700 MWASSOBZBHIHRU-GEVRCRHISA-N 385.575 6.251 30 40 GKEB CCCCCCCCCCOc1ccc(NC(=O)N2CCSCC2)cc1 100033758 HYHORASRRMYBIL-UHFFFAOYSA-N 378.582 5.787 30 40 GKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccccc3OC)c2C)cc1 100212031 KNWMYACGBAZJEL-BUVRLJJBSA-N 376.456 5.030 30 40 GKEB CC1=CC(C)(C)N(C)c2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc21 198147053 QVXPIDLAOHTTRY-OVVQPSECSA-N 382.507 6.861 30 40 GKEB CCn1c(N/N=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)nc2ccccc21 408692655 RRIOUZCDUWTLSD-YDZHTSKRSA-N 378.863 5.724 30 40 GKEB CCCCCCCCCCCCNC(=O)C(=O)NC1CCC(C(C)(C)C)CC1 408710181 RLBLYTSHQARABT-UHFFFAOYSA-N 394.644 5.745 30 40 GKEB O=[N+]([O-])c1ccc(Sc2ccc(/N=C/c3ccc(O)c([N+](=O)[O-])c3)cc2)cc1 408904575 LQINXXHKAUZJRC-UDWIEESQSA-N 395.396 5.110 30 40 GKEB CCCCOc1ccc(-c2c(-c3ccccc3)c(C)[nH]c(=N)c2C#N)cc1OC 408978260 HKRKYVVYPMKHJZ-UHFFFAOYSA-N 387.483 5.196 30 40 GKEB O/N=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Br)cc1 409047799 PMXZRYYIRSZZEQ-CNHKJKLMSA-N 375.049 5.143 30 40 GKEB CCOC(=O)/C(=C/C(=O)c1ccc(Cl)cc1)Nc1cccc(C(F)(F)F)c1 409190984 XPXXBBQGMIDKIA-WJDWOHSUSA-N 397.780 5.101 30 40 GKEB C=CCN1C(=O)S/C(=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)C1=O 409225788 LBGWMPRWVKNCPS-DEDYPNTBSA-N 392.455 5.051 30 40 GKEB N#CCOc1ccccc1/C=N/c1oc(-c2ccco2)c(-c2ccco2)c1C#N 409383007 QKGLROVCZOGDSD-AFUMVMLFSA-N 383.363 5.324 30 40 GKEB CCOc1cccc(/C=N/c2cc(-c3nc4ccc(C)cc4o3)ccc2C)c1O 975853 OOMBROPYBDJFCQ-AFUMVMLFSA-N 386.451 5.967 30 40 GKEB COc1ccc(/N=C/c2cccn2-c2ccc(Br)cc2)cc1Cl 1101707 HNRLSCBDDJHNDW-CIAFOILYSA-N 389.680 5.652 30 40 GKEB C=C(C)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)C[C@@H](C)CC3 1269098 SVKGDDRLWYATID-HNNXBMFYSA-N 396.581 5.299 30 40 GKEB C=CCc1cccc(CNc2nc3ccccc3n2CCCCCCC)c1O 2255102 BZSINQDAMZZZOC-UHFFFAOYSA-N 377.532 6.053 30 40 GKEB Cc1ccc2cc(C#N)c(SCC(=O)Nc3cc(Cl)ccc3C)nc2c1 4124985 LKGJSFMVRHGRDF-UHFFFAOYSA-N 381.888 5.108 30 40 GKEB N#Cc1ccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1 4926754 IORICTPBOYGVCR-UHFFFAOYSA-N 395.512 6.367 30 40 GKEB Cc1cccc(/C=N/c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)c1O 5419564 WDVXLFHKAUWIEF-WYMPLXKRSA-N 399.277 6.010 30 40 GKEB CNc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2Cl)cc1[N+](=O)[O-] 6319989 ZTMBRZNBSJVOEQ-XVNBXDOJSA-N 385.634 5.493 30 40 GKEB COc1ccc(-n2c(C)cc(/C=N/c3sc4c(c3C#N)CCCC4)c2C)cc1 6961814 VIAXMQAHMYTCDF-AFUMVMLFSA-N 389.524 5.665 30 40 GKEB Cc1ccccc1/N=C/c1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 8570939 USAOJHKSARKQPD-FYJGNVAPSA-N 377.356 5.354 30 40 GKEB CCCCCCCCOc1cc(S(=O)(=O)NCc2ccco2)ccc1Cl 97977098 VCGUPYWIMNMCFT-UHFFFAOYSA-N 399.940 5.151 30 40 GKEB CCCCC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(C#N)cc3)cc2)CC1 100003707 IPGHZWGLMSBNAV-TYKWCNGQSA-N 375.512 6.632 30 40 GKEB CCCCCCCNCc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 102568351 XJFMOIQCPQIOAL-UHFFFAOYSA-N 375.940 5.988 30 40 GKEB CCCCCCCCCCCCCCCC[C@@H](O)CCCCCCCCC 103661157 SQPREXYCBSQGDO-SANMLTNESA-N 382.717 9.359 30 40 GKEB CCOc1cc(-c2c(-c3ccccc3)cnc(N)c2C#N)ccc1OCC(C)C 107809966 SEYXRJPFEXHMJI-UHFFFAOYSA-N 387.483 5.303 30 40 GKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118913012 GPXIDAWDPZQTOS-CZRUWHASSA-N 384.648 7.597 30 40 GKEB COc1ccc(C(=O)/C=C/c2cccc(OCc3ccccc3Cl)c2)cc1 408652933 IQDZEKMDGXJNMV-NTEUORMPSA-N 378.855 5.824 30 40 GKEB COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)ccc1OC(C)C 408906986 FQFNIZFDBHWTSU-DYEBMTOPSA-N 396.512 5.025 30 40 GKEB Cc1ccc(/C=C2/S/C(=N\c3ccccc3)N([C@H](C)c3ccccc3)C2=O)cc1 408907032 FZRYRBCDSOEIEM-SVWHORKESA-N 398.531 6.360 30 40 GKEB Cc1cc(/C=N/c2ccccc2S)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408938215 HJGGIZYYUCAZBX-SSDVNMTOSA-N 384.888 5.485 30 40 GKEB Cc1ccc(/N=C/c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)cc1C 409213053 SAUNFCZDKYVNAT-DHRITJCHSA-N 384.306 6.940 30 40 GKEB Clc1cc(/N=C/c2ccc(Br)s2)ccc1Br 670287 JXYDFKCTAYNTII-GIDUJCDVSA-N 379.504 5.677 30 40 GKEB Cc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(SCC(C)C)n2)cc1 4321394 DMRUVCFLEGFISI-UHFFFAOYSA-N 392.955 6.997 30 40 GKEB COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccco2)c1 4973605 BOFLPTBJGFKEOZ-UPCLLVRISA-N 386.451 5.268 30 40 GKEB Cn1c(N/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)nc2ccccc21 7343356 QPSPVVTVHUYZAA-SSDVNMTOSA-N 385.254 5.586 30 40 GKEB COc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OCc1ccccc1F 8368522 TXCUEQYTIONWPZ-LGJNPRDNSA-N 397.877 6.434 30 40 GKEB Cc1ccc(/N=C/c2ccc(OCc3ccccc3)c(Br)c2)c(C)c1 8368628 KWFDFSYYETXLJT-ZVHZXABRSA-N 394.312 6.396 30 40 GKEB O=C1N/C(=N\c2ccc(Cl)cc2)S[C@H]1Cc1cccc(Cl)c1Cl 13564516 LPFXTJFIRLVDEP-ZDUSSCGKSA-N 385.703 5.109 30 40 GKEB aggregator CSc1nc(NCCc2ccccc2)c(C#N)c(-c2ccc(Cl)cc2)n1 19794125 HLEBLJTUZANGDX-UHFFFAOYSA-N 380.904 5.045 30 40 GKEB N#C[C@@H](C(=O)c1cc2c(ccc3ccccc32)[nH]1)c1ccc(C(F)(F)F)cn1 41552885 YOMFHRZZZDVKPX-MRXNPFEDSA-N 379.341 5.225 30 40 GKEB O[C@@H](CON=C1c2ccccc2-c2ccccc21)COc1cccc2ccccc12 95117271 UKEIUSNPUATYQR-LJQANCHMSA-N 395.458 5.029 30 40 GKEB CCCCCCCCCCCC(=O)[C@H](CCCCCCCCCC)C(=O)OC 100302352 MPNOPEYAQGNQJY-QHCPKHFHSA-N 396.656 7.796 30 40 GKEB CSc1ccccc1/N=C/c1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C 408967777 SAMGJJDHZOAPFY-PCLIKHOPSA-N 376.569 6.864 30 40 GKEB COc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccccc1 409200847 JOUMMBWUGLLIIR-MFKUBSTISA-N 388.467 5.080 30 40 GKEB CSc1ccccc1[C@H]1CCCCC[C@H]1OS(=O)(=O)c1ccc(C)cc1 1715750 WNCLJWDPZQUUAG-UYAOXDASSA-N 390.570 5.539 30 40 GKEB CCc1c(C#N)c(SCC(=O)OCc2ccccc2)nc2c1CCCCCC2 4543795 LQBGSZWYVPWCLA-UHFFFAOYSA-N 394.540 5.010 30 40 GKEB C=C(C)CSc1nc(SCCC)nc2sc3c(c12)CC(C)(C)OC3 5047234 QLVZOPVUOBNNCO-UHFFFAOYSA-N 380.604 5.713 30 40 GKEB CCCOc1c(Br)cc(/C=N/c2cc(C)ccc2C)cc1OC 6880607 MAIPSAISPNGFHI-CIAFOILYSA-N 376.294 5.614 30 40 GKEB N#Cc1c(SCc2cccc3ccccc23)nc2c(c1C(F)(F)F)CCCC2 8993418 KOIKRRUVHZVUAA-UHFFFAOYSA-N 398.453 6.296 30 40 GKEB N#CCCn1cc(/C=C/c2ccc3ccccc3n2)c(-c2ccc(F)c(F)c2)n1 9368158 VSQQFLNDINDXCM-JXMROGBWSA-N 386.405 5.461 30 40 GKEB O=C1/C(=C/c2ccc(Cl)cc2)S/C(=N\c2ccccc2)N1C1CCCC1 13536866 QJHGBQKMCMTSOX-IVTNFPRSSA-N 382.916 5.887 30 40 GKEB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N\Nc2nc3ccccc3s2)o1 33926737 KJGJKAJOJUIJAQ-JAIQZWGSSA-N 378.413 5.219 30 40 GKEB CCCCCCCCCCCCC(CO)CCCCCCCCCCCC 97978581 VPKOJRLFKZGIJD-UHFFFAOYSA-N 382.717 9.217 30 40 GKEB in-vitro CCCCCCCCCCCCNC(=S)N/N=C/c1ccccc1Cl 100355235 ZZMCBVREEMYMJO-HAVVHWLPSA-N 382.017 6.059 30 40 GKEB O=C(/C(=C(\O)c1ccccc1)[n+]1ccc2ccccc2c1)c1ccc(Cl)cc1 100486837 RJQZZETUEWXOLB-UHFFFAOYSA-O 386.858 5.547 30 40 GKEB CCCCCCCCCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)F 100494979 LPRIRBYFWTWHQE-UHFFFAOYSA-N 399.366 5.804 30 40 GKEB CCCN1C(=O)/C(=C/c2ccc(Cl)cc2)S/C1=N/c1ccc(OC)cc1 101080565 JUXGZNYLTLMSHE-YISMEOAQSA-N 386.904 5.363 30 40 GKEB COc1cc(/N=C/c2ccc(Br)cc2)ccc1NC(=O)c1ccco1 102417347 SUUANSPOIUROIG-CIAFOILYSA-N 399.244 5.054 30 40 GKEB CCCCCCCCNCc1cc(Cl)ccc1OCc1ccc(F)cc1 102561857 ZTEWCLKFHNALHW-UHFFFAOYSA-N 377.931 6.508 30 40 GKEB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N/Nc3ncccc3[N+](=O)[O-])cc21 223500537 YLHQIBXOHNWSBR-ZMOGYAJESA-N 393.491 5.155 30 40 GKEB CCCCCCCCCOc1ccc(C=Nc2ccc(CCCC)cc2)cc1 256707116 CJGFFRVFUUEUNN-UHFFFAOYSA-N 379.588 7.909 30 40 GKEB CCCCCCCCCCCC(=O)Nc1ccc(N2C(=O)CCCC2=O)cc1 408673476 SLUQZLBPNJMZMI-UHFFFAOYSA-N 386.536 5.590 30 40 GKEB COc1cc(/C=N/c2ccccc2S)ccc1OCc1cccc(C(=O)O)c1 408847846 VZDZDUARZDXLJO-YDZHTSKRSA-N 393.464 5.012 30 40 GKEB CCOc1ccc(/C=C2/S/C(=N\c3c(C)cccc3C)N(CC)C2=O)cc1 408907091 LSICOQORVQJCJH-XGHAMVSDSA-N 380.513 5.326 30 40 GKEB COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)cc1C 408915996 SUFAOSHBQIXXRB-GRUKXCDCSA-N 394.540 5.572 30 40 GKEB CCOc1cc2c(cc1/C=N\c1ccc(Oc3cccc(OC)c3)cc1)OCO2 409100166 SURIXUMPGARIEI-OYKKKHCWSA-N 391.423 5.366 30 40 GKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccccc3OC(F)F)c2C#N)C1 409172373 CZWVSSKVUDKPAP-KWRYHKOTSA-N 388.483 6.123 30 40 GKEB C=CCn1c(SCc2ccc(Cl)cc2)nnc1-c1cc2ccccc2o1 409351474 UWCOCCSVUQTHAT-UHFFFAOYSA-N 381.888 5.823 30 40 GKEB Clc1ccc(/C=N/c2ccc3oc(-c4cccc5ccccc45)nc3c2)cc1 3102917 LJEOGPBKUWXPJY-CVKSISIWSA-N 382.850 7.052 30 40 GKEB C=CCn1c(C)cc(C(=O)COC(=O)c2sc3ccccc3c2Cl)c1C 3294866 YIRYAGONQBFYGD-UHFFFAOYSA-N 387.888 5.199 30 40 GKEB CCCCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(O)c(OCC)c3)S2)cc1 5551265 HKAWKVFAEMMJNY-ZHZULCJRSA-N 396.512 5.025 30 40 GKEB Cc1cccc(C)c1/N=C1\NC(=S)N(c2cccc(Cl)c2)C12CCCCC2 5705439 LSXKUBOSSYXLOU-UHFFFAOYSA-N 397.975 6.084 30 40 GKEB C=CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(CCCC)cc1 6241034 QMVJIJRBTGFIRT-UHFFFAOYSA-N 394.522 6.482 30 40 GKEB C=CCOc1ccc(C2=NN3[C@H](c4ccc(C)cc4)Oc4ccccc4[C@H]3C2)cc1 12194167 AWANRNLPVLXUCH-RSXGOPAZSA-N 396.490 5.802 30 40 GKEB C=C(C)COc1ccc(-c2ncncc2-c2ccc(Br)cc2)c(O)c1 13122738 TZLFTCPTHNRJAC-UHFFFAOYSA-N 397.272 5.234 30 40 GKEB C(=N/c1ccc(/N=C/c2cccc3ccccc23)cc1)\c1cccc2ccccc12 16526173 XXCNFQLLXIAUEP-CZYCKNNWSA-N 384.482 7.494 30 40 GKEB CCCCCCCCCc1ccc(/N=C/c2ccc(OCCCCC)cc2)cc1 68569017 UKVBQGFFXRJMRT-WEMUOSSPSA-N 393.615 8.299 30 40 GKEB CC1(C)C[C@](C)(c2ccccc2)c2cccc3c2N1C(=O)/C3=N/Nc1ccccc1 100117949 BLBMZKLWBHYTBG-BMNAXSRBSA-N 395.506 5.338 30 40 GKEB O/C(=N\C12CC3CC(CC(C3)C1)C2)C12C[C@@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 103736666 KBDOHEHFVZMXIF-GNXADCCCSA-N 389.583 6.450 30 40 GKEB O=[N+]([O-])c1cccc(CO/N=C/c2ccccc2OCc2ccc(Cl)cc2)c1 408590270 HBPQSFHPRGQOFI-YDZHTSKRSA-N 396.830 5.378 30 40 GKEB COc1ccc(Cl)cc1-n1c(C)cc(/C=N/c2oc(C)c(C)c2C#N)c1C 408592374 XXGWMEOAFBNQCI-BHGWPJFGSA-N 381.863 5.588 30 40 GKEB C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2cccs2)S/C1=N\c1ccccc1 408868769 BGTDDASQEUGZTG-HLPMKXTMSA-N 382.554 5.931 30 40 GKEB Cc1c(C=C2C(=O)c3ccccc3C2=O)c2ccccc2n1Cc1ccccc1 408914296 PCJHLSIDXSEIIZ-UHFFFAOYSA-N 377.443 5.461 30 40 GKEB Cc1cccc(/N=C/c2cc(Cl)ccc2OCc2ccccc2Cl)c1C 409203377 XPJFWYQYQYQELD-DHRITJCHSA-N 384.306 6.940 30 40 GKEB Cc1ccccc1/N=C1\S/C(=C\c2cccs2)C(=O)N1c1ccccc1C 4611541 YKLARJXXKNCLDY-DJOYVXLESA-N 390.533 6.174 30 40 GKEB C/C(=N\Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(N2CCOCC2)cc1 4867141 ZDSZEHQTPHVWTR-ZMOGYAJESA-N 397.828 5.032 30 40 GKEB C=CCOc1ccc(/C=C2\SC(=S)N(c3ccccc3CC)C2=O)cc1 5372119 OZRUNYYHJIBNKD-RGEXLXHISA-N 381.522 5.220 30 40 GKEB Cc1[nH]c2ccccc2c1C1=CCN(Cc2ncc(-c3ccc(C#N)cc3)o2)CC1 72308178 RUQUQXZKRCTUGK-UHFFFAOYSA-N 394.478 5.292 30 40 GKEB C[C@H]1C/C(=C/c2ccccc2)c2nc3ccccc3c(C(=O)O[C@@H](C)C#N)c2C1 97653139 JEXWBLFHMKTLOH-GJNQCVPDSA-N 382.463 5.427 30 40 GKEB CCCCCCCCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1 100168081 NIINHJAYONGWSD-CLCOLTQESA-N 390.527 6.232 30 40 GKEB CCCCCCCCCCCCCCCCCCC1C(=O)NC(=S)NC1=O 100724842 JCGYZANVRACSRZ-UHFFFAOYSA-N 396.641 5.785 30 40 GKEB COc1ccc(C(=O)/C=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1 106897516 NAPMFEQZKSODNJ-JXMROGBWSA-N 383.787 5.413 30 40 GKEB CCN1c2ccc(/C=N\NC(=S)Nc3ccccc3)cc2[C@H](C)CC1(C)C 208311514 LCRNWCMFHHSZHG-AJIWAEEYSA-N 380.561 5.119 30 40 GKEB Cc1cccc(-n2c(C)cc(/C=N\c3ccc(Br)cc3C)c2C)c1 408755659 RUZPSRHRHAIJKS-QRVIBDJDSA-N 381.317 6.224 30 40 GKEB O=C1NC(=Nc2ccccc2F)S/C1=C\c1c2ccccc2cc2ccccc12 408869203 RSAAQLBIRIGNQZ-HMAPJEAMSA-N 398.462 6.024 30 40 GKEB CCN1C(=O)/C(=C/c2ccccc2)S/C1=N/c1ccc(N2CCCCC2)cc1 408930078 RUWQICMQGSTNIL-AVBTWHCCSA-N 391.540 5.301 30 40 GKEB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccc(Cl)cc1Cl 1740155 KJGLJIKARHIRBG-ZMOGYAJESA-N 394.261 5.253 30 40 GKEB CCCCc1ccc(/N=C/c2ccc(Sc3nc4ccccc4s3)o2)cc1 3082873 USNIOVARSSLOLH-HZHRSRAPSA-N 392.549 7.134 30 40 GKEB Cn1c2ccccc2c2cc(C(=O)/C=C/c3ccc(Br)cc3)ccc21 5174143 RXIZSFFQUJQXLP-MDWZMJQESA-N 390.280 5.990 30 40 GKEB C=C(C)COc1ccc(-c2onc(C(F)(F)F)c2-c2ccccc2)c(O)c1 5427255 IRKUSWLOHBYRBT-UHFFFAOYSA-N 375.346 5.688 30 40 GKEB biogenic O=[N+]([O-])c1ccc(-c2ccc(/C=N/Nc3nc4ccccc4s3)o2)c(Cl)c1 5605076 ZDYCSQDMYPWULG-KEBDBYFISA-N 398.831 5.564 30 40 GKEB COc1cccc(OC)c1C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 5902638 LFLKRQYPOMOHAY-ZDUSSCGKSA-N 398.528 5.040 30 40 GKEB CCCCc1ccc(NC(=O)CSc2nc3ccccc3n2CCC#N)cc1 7985124 QPDXURDZYOBYRF-UHFFFAOYSA-N 392.528 5.023 30 40 GKEB N#C[C@@H](c1ccc(Cl)cc1)c1cccc([C@H](C#N)c2ccc(Cl)cc2)n1 18323937 HDHWCVHVEDSRTI-KDURUIRLSA-N 378.262 5.699 30 40 GKEB COc1cccc(C(=O)CSc2nc3ccc(C(C)C)cc3cc2C#N)c1 35314359 MXNIETDDHAQJJT-UHFFFAOYSA-N 376.481 5.213 30 40 GKEB CCc1ccc(C(=O)C[C@@H](C(C(=O)c2ccc(CC)cc2)=C(C)C)C(C)C)cc1 39436321 TXUGZJORHPHIEA-XMMPIXPASA-N 390.567 6.876 30 40 GKEB FC(F)(F)C1(C(F)(F)F)[C@@H]2C[C@H]1CC[C@]21CC(F)(F)C(F)(F)S1 73417456 UHMGZMSZRULRFR-QYNIQEEDSA-N 376.259 5.631 30 40 GKEB CCCCCCCCCc1ccc(OC[C@H](O)CNCc2ccccc2)cc1 100238905 XHMIOILEHDOMQX-XMMPIXPASA-N 383.576 5.509 30 40 GKEB C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccccc1)C2=O 245242046 XVNNBSPKVRWTLT-LMECWRNYSA-N 378.556 5.653 30 40 GKEB biogenic CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3oc(C)c(C)c3C#N)c2C)c1 408592464 YHZQARFROQBVQD-DHRITJCHSA-N 389.455 5.103 30 40 GKEB Clc1ccccc1COc1c(Cl)cc(/C=N/c2ccccc2)cc1Cl 409202045 OGVDOXNCZOYWLT-WYMPLXKRSA-N 390.697 6.976 30 40 GKEB Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1C 409203825 ZBKJHWBQMVHZJQ-DHRITJCHSA-N 384.306 6.940 30 40 GKEB CC[C@@H](C)c1ccc(/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1 409249526 JMPGOTFUYGUDLT-BKBIYGFMSA-N 384.498 7.093 30 40 GKEB Cc1cc2cc(C[C@@H](C#N)C(=O)Nc3c(C)cccc3C)c(Cl)nc2cc1C 883117 WCPJIGOTZHZCGC-IBGZPJMESA-N 391.902 5.443 30 40 GKEB N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCc1cccs1 2334151 BADOTJULOAYBLN-UHFFFAOYSA-N 376.428 5.993 30 40 GKEB CC(C)CC[C@]1(CC/N=C/c2ccc(OC(C)C)cc2)CCO[C@@H](C(C)C)C1 4065029 HLDDUVJWECTGLW-SGHNDEBBSA-N 387.608 6.540 30 40 GKEB biogenic C/C(=N\OCc1ccc(Cl)cc1Cl)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1 4084784 NKJQOSOOQQJMDY-MJEARJAWSA-N 376.327 6.813 30 40 GKEB O=C(O)c1ccc(N/N=C/c2c(OCc3ccccc3)ccc3ccccc23)cc1 4137350 NOMOMBPGIWNZPU-WGOQTCKBSA-N 396.446 5.563 30 40 GKEB COc1ccc(C(=O)/C(=C\c2sccc2C)c2nc3ccccc3o2)cc1 4302699 UJIXBSFPZDTALY-GHRIWEEISA-N 375.449 5.630 30 40 GKEB CCCOc1nc(-c2ccc(Br)cc2)cc(-c2ccccc2)c1C#N 4719761 ZOZBAEXELWJZNA-UHFFFAOYSA-N 393.284 5.839 30 40 GKEB N#Cc1ccc(Oc2cccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2)cc1 5860637 BTIIMIRDCJSFGY-UHFFFAOYSA-N 393.786 5.164 30 40 GKEB CCc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)cc1 8084374 VLUJKFUIPSKEKL-VULFUBBASA-N 397.877 6.380 30 40 GKEB N#Cc1ccc(-c2csc(NC(=O)CCCSc3ccccc3)n2)cc1 10217806 HJOFXZCYXDAPGG-UHFFFAOYSA-N 379.510 5.193 30 40 GKEB CCOc1ccc2ccc(OCC)c(/C=N\Nc3nc4ccccc4s3)c2c1 38190297 LNZCESNITGGWKK-UCQKPKSFSA-N 391.496 5.693 30 40 GKEB COC(=O)c1cccc(/N=C/c2ccc(N3Cc4cc(C)c(C)cc4C3)cc2)c1 59501501 REIXVKOBZHBMPX-VULFUBBASA-N 384.479 5.361 30 40 GKEB CCCCCCCCCCCCCCCC(=O)Oc1ccc2ccccc2c1 100305967 KTCOXWREQWKNAA-UHFFFAOYSA-N 382.588 8.227 30 40 GKEB CCOc1cc(/C=N/c2ccc(C)c(-n3cccc3)c2)cc(Br)c1O 100344568 KMKFVTISJXNMBO-LPYMAVHISA-N 399.288 5.403 30 40 GKEB CCCCCCCCCCc1nc2c(o1)C[C@@H](C[C@H](C)SCC)CC2=O 103007856 XPMUBDVPBVNGDZ-ROUUACIJSA-N 379.610 6.635 30 40 GKEB Cc1cc2c(cc1/C=N/c1ccc(Br)cc1)[C@H](C)CC(C)(C)N2C 198083087 IBAFFRHQARZTGF-LJGKHRNASA-N 385.349 6.230 30 40 GKEB O=C(COc1ccc(/C=N\c2ccccc2Cl)cc1)Nc1ccc(F)cc1 408803147 LSMDDNXDXRTIRP-CFRMEGHHSA-N 382.822 5.247 30 40 GKEB Cc1ccccc1/N=C\c1cccc(OS(=O)(=O)c2ccc(Cl)cc2)c1 409203458 YBYHUDHSFYEWCY-HMAPJEAMSA-N 385.872 5.167 30 40 GKEB O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1Cl)Nc1ccc3ncccc3c12 848748 NRPGYVCZRGAYHM-JOCHJYFZSA-N 395.289 6.215 30 40 GKEB Oc1c(Cl)cc(Br)cc1/C=N/c1ccc(Cl)c(Cl)c1 1051287 NJWQFIHPWRUDJU-NGYBGAFCSA-N 379.468 5.866 30 40 GKEB Cc1ccc(/C=N/N=C2\S[C@H](C)C(=O)N2Cc2cccc3ccccc23)cc1 2353795 AYUAGQVQJFONOG-NWWUUNPESA-N 387.508 5.002 30 40 GKEB N#Cc1c(F)c(Sc2ccccc2)c(Sc2ccccc2)c(F)c1C#N 2371924 DVKWVSFMYSGZCO-UHFFFAOYSA-N 380.444 6.011 30 40 GKEB CCC(C)(C)[C@H]1CCc2sc3ncnc(N/N=C\c4ccccn4)c3c2C1 4953887 GDKLXWFRLSVLEU-NDUKVXLSSA-N 379.533 5.073 30 40 GKEB O=C1N/C(=N\c2ccccc2)S/C1=C/c1cccc(OCc2ccccc2)c1 6446324 GOVLMAITRUNKFF-RCCKNPSSSA-N 386.476 5.157 30 40 GKEB CCCC[C@H]1S/C(=N\N=C\c2ccc(C)cc2)N(Cc2ccc(F)cc2)C1=O 6592790 MZEUQPDYXQTRDH-DJJQPEHWSA-N 397.519 5.158 30 40 GKEB COc1cc(/C=N/c2ccccc2)ccc1OCc1ccc(Br)cc1 8113470 QWPGZNXTRYQWNO-OEAKJJBVSA-N 396.284 5.787 30 40 GKEB COc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 8116624 IXBKBTAYTXXNLD-ZMOGYAJESA-N 386.278 6.332 30 40 GKEB Cc1cccc(C)c1/N=C1\NC(=S)N(Cc2ccccc2)C12CCCCC2 13739574 DWDLGELYAIBMMJ-UHFFFAOYSA-N 377.557 5.427 30 40 GKEB COc1ccc(-c2cc(CO/N=C/c3c(OC)ccc4ccccc34)on2)cc1 29375237 LKCKRSDODAIQCL-ZVHZXABRSA-N 388.423 5.063 30 40 GKEB CCCCOc1ccc(C(=O)/C=C/Nc2cccc(OC(F)(F)F)c2)cc1 44843207 RIHKVWKUMLPEDF-VAWYXSNFSA-N 379.378 5.573 30 40 GKEB Cc1ccc(N/C=C/C(=O)c2ccc(OCc3c(F)cccc3Cl)cc2)cc1 100142941 ISUPTYHJNJBYAJ-BUHFOSPRSA-N 395.861 6.175 30 40 GKEB O=C(/C(=C/Nc1cccc(C(F)(F)F)c1)C(=O)C(F)(F)F)c1cccs1 100862368 UMHANRAMWJCWNG-FLIBITNWSA-N 393.308 5.077 30 40 GKEB CCCCCCCOc1ccccc1/C=C1\N=C(c2ccccc2Cl)OC1=O 408737371 MYAORPVKMHTCBO-SILNSSARSA-N 397.902 6.034 30 40 GKEB Clc1cccc(/N=C\c2cc(Br)c(Br)o2)c1Cl 408955070 VVPSKHKAZMRLEV-BNCCVWRVSA-N 397.881 5.862 30 40 GKEB O=C(c1ccc(OCc2ccccc2)cc1)C(F)(F)C(F)(F)C(F)(F)F 575357476 FJLHXBYWHWPDLJ-UHFFFAOYSA-N 380.259 5.281 30 40 GKEB CCCCCCCC[C@@H](CCCCCC)Cc1ccc(Br)cc1 1776010992 OAOWDHHAGVEXFC-HXUWFJFHSA-N 381.442 8.329 30 40 GKEB C=CCSc1nc2sc3c(c2c(=O)n1CC(=C)C)CC[C@H](C(C)(C)C)C3 2270746 HRUGGXZFWTVWFP-AWEZNQCLSA-N 388.602 5.463 30 40 GKEB Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/c3cccc(Cl)c3C)cc2)cc1 3061001 PPPCGUKBNOCKKL-OEAKJJBVSA-N 399.899 5.475 30 40 GKEB COc1ccc(C(=O)/C(=C\c2ccc(Cl)cc2)c2nc3ccccc3o2)cc1 4898658 SSJLHXSXPBJFGF-XMHGGMMESA-N 389.838 5.913 30 40 GKEB CCCCCCOc1ccc(/C=N/Nc2cc(C(F)(F)F)ccc2Cl)cc1 5502372 NXFYINYOTBSHHO-AFUMVMLFSA-N 398.856 6.764 30 40 GKEB N#Cc1sc2nc3c(c(-c4cccs4)c2c1N)CC/C3=C\c1cccs1 6269309 DXFAYSJWJAOFBV-PKNBQFBNSA-N 391.546 6.027 30 40 GKEB O=C1N/C(=N\N=C\c2ccco2)S/C1=C\c1c2ccccc2cc2ccccc12 6890584 YUULBRHHOXSNRT-HWENWYDHSA-N 397.459 5.180 30 40 GKEB COc1ccc(C(=O)/C=C(\C)Nc2ccc(Cl)cc2Br)cc1 32100371 SMCQBLJGWFORHH-PKNBQFBNSA-N 380.669 5.310 30 40 GKEB CCCCCCCOc1ccc(/C=C2/N=C(c3cccc(C)c3)OC2=O)cc1 97958126 TUTSGPHHAARZLU-OQKWZONESA-N 377.484 5.689 30 40 GKEB CCCCCCCCCC(=O)OC(CC[C@@H]1CCCO1)CC[C@@H]1CCCO1 100300354 ZKPYPYMRRDEUDP-SFTDATJTSA-N 382.585 5.957 30 40 GKEB CCCCCCCCOc1ccc(-c2nccc(-c3ccc(F)cc3)n2)cc1 100912621 IHNFXXMSWPTTGV-UHFFFAOYSA-N 378.491 6.689 30 40 GKEB C=CC[N+]1(CC)CCN=C1CCCCCCCCCCCCCCCCC 104344601 JIRALHJZQPTPKB-UHFFFAOYSA-N 377.681 7.683 30 40 GKEB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccccc1F)C2=O 253497817 GEMAOHATSXXMSE-QGYVJOKISA-N 394.530 5.712 30 40 GKEB COC(=O)c1ccc(/N=C\c2c(-c3ccccc3)[nH]c3c(OC)cccc23)cc1 408839484 SZYMJANJJNOYJW-MYYYXRDXSA-N 384.435 5.381 30 40 GKEB CCOc1ccccc1/C=C1/S/C(=N\c2ccc(C)cc2)N(C(C)C)C1=O 408913454 MLRVFPGBKRBGQW-QNQNADBQSA-N 380.513 5.406 30 40 GKEB Cc1cccc(COc2c#cc(/C=N/c3cc(C)nn3-c3ccccc3)cc2)c1 409025392 QPOKSJSXRZWPRE-YZSQISJMSA-N 379.463 5.419 30 40 GKEB CCCN1C(=O)/C(=C/c2ccc(C(C)C)cc2)S/C1=N/c1ccc(Cl)cc1 409091190 QGXUYRQMZWBFPG-POHHJLCXSA-N 398.959 6.477 30 40 GKEB N#Cc1ccc(-c2csc([C@H](C#N)C(=O)C[C@]34CCCC[C@@H]3C4(F)F)n2)cc1 585094031 YEWZIIFKKKRKNB-MOXGXCLJSA-N 397.450 5.074 30 40 GKEB Cc1ccc(O)c(/C=N/c2ccc3oc(-c4ccc(F)cc4Cl)nc3c2)c1 1435194 OPNMBFQRPUXGKZ-BHGWPJFGSA-N 380.806 6.052 30 40 GKEB CN(C)c1ccc(/C=N\[C@@H]2CCCc3c2[nH]c2ccc(Br)cc32)cc1 2075198 UMMJACWZDFKUBM-XBPUZACXSA-N 396.332 5.493 30 40 GKEB Clc1ccc(/C=C/C=N/c2cccc(-c3nc4cc(Cl)ccc4o3)c2)cc1 2895659 HOLLYLNGWYTHII-JRUCXRJDSA-N 393.273 7.217 30 40 GKEB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2cccs2)cc1 4176803 TUNJGROALSIXSH-SDNWHVSQSA-N 386.476 5.506 30 40 GKEB Cc1ccc(NC(=O)CSc2nc3c(C)c(C)ccc3cc2C#N)c(C)c1 4849083 YGRCLYWFDMHXMV-UHFFFAOYSA-N 375.497 5.071 30 40 GKEB Cc1ccsc1/C=C1\Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2C1=O 5155830 HJZFZOUXMNRMMG-WQRHYEAKSA-N 396.851 5.545 30 40 GKEB CC/C=N/c1cc2c(cc1C)nc1cc(C)c(/N=C/CC)cc1[n+]2-c1ccccc1 5414785 OWCOKQAHAXXMSC-UHFFFAOYSA-N 395.530 6.506 30 40 GKEB Cc1c(/C=N/c2cccc(C(F)(F)F)c2)c(O)n2c(nc3ccccc32)c1C#N 6694153 DMHCWCVHMQINGW-KBKYJPHKSA-N 394.356 5.143 30 40 GKEB CCOC(=O)c1c(/N=C/c2c(O)ccc3ccccc23)sc(C(C)=O)c1C 13126029 SXYIZYLIGDAJOC-SSDVNMTOSA-N 381.453 5.045 30 40 GKEB O=[N+]([O-])c1cccc(/C=N/c2ccc(O)c(-c3nc4ccccc4s3)c2)c1 103612672 PKEKGCFVVWWNNF-CIAFOILYSA-N 375.409 5.328 30 40 GKEB Cc1ccc(C(=O)C2=C(Sc3ccccc3)[C@H]3CC[C@@H](C3)C2=O)c(Cl)c1 103642940 GXIBSEUJNVVETO-GJZGRUSLSA-N 382.912 5.877 30 40 GKEB CCCCCCCC[C@@]1(CCCCCCCCC(=O)O)OCC(C)(C)N1[O] 138558871 DFHFGMNGBOGGPV-QFIPXVFZSA-N 384.581 6.095 30 40 GKEB CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(O[C@H](C)CC)cc1C#N 225823927 MRANFDSXOONIHS-GOSISDBHSA-N 388.552 5.542 30 40 GKEB CC(C)Oc1ccc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)cc1 408905897 GEDNXCHYEMWWPF-QNQNADBQSA-N 380.513 5.486 30 40 GKEB CCc1ccccc1-n1c(C)cc(/C=N/c2ccc(C(=O)O)c(Cl)c2)c1C 408966491 LXTQVEKQULPCRO-ZMOGYAJESA-N 380.875 5.759 30 40 GKEB Cc1cccc(/N=C/c2ccccc2OS(=O)(=O)c2ccc(Cl)cc2)c1C 409202181 PPQNQYBPUJFRKW-OEAKJJBVSA-N 399.899 5.475 30 40 GKEB CC(C)CC/N=C1/NCCCCCCOc2ccccc2Nc2ncccc21 643588762 KQMXBIKOYSBDKK-UHFFFAOYSA-N 380.536 5.160 30 40 GKEB N#Cc1c(/N=C/c2ccc(-c3ccccc3C(=O)O)o2)sc2c1CCCC2 2310846 PXBBOCOIIMEWCS-FSJBWODESA-N 376.437 5.207 30 40 GKEB CC[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(C(C)C)cc3)c2C#N)C1 2736584 WUOWSLGLIVTSAF-RCLKMUNOSA-N 378.541 5.910 30 40 GKEB CN(CC#C[C@]1(C)CC[C@@H]2[C@H](O1)c1ccccc1OC2(C)C)Cc1ccccc1 4027752 VSJACZVSLVSJHV-QIGHUWCUSA-N 389.539 5.219 30 40 GKEB biogenic Fc1ccc(/C=N/Nc2nc(C(Cl)(Cl)Cl)nc3ccccc23)cc1 5257554 SKPZEWBYXFOFTH-ZVBGSRNCSA-N 383.641 5.042 30 40 GKEB Cc1ccc(C)c(/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c1 5337120 BZJLFCLCLUYZKB-YDZHTSKRSA-N 381.317 6.224 30 40 GKEB O=C1N/C(=N\c2ccccc2Cl)S/C1=C\c1c(O)ccc2ccccc12 18996437 BYVFOSNQBIBSGD-WQRHYEAKSA-N 380.856 5.090 30 40 GKEB CCCCCCCCn1c([C@@H](C)c2ccc(CC(C)C)cc2)nc2ccccc21 50704983 UYZCJMMDLYUBIX-QFIPXVFZSA-N 390.615 7.747 30 40 GKEB O=C(/C=C\c1ccc(Cl)c(Cl)c1)c1ccccc1OCc1ccccc1 95930989 ABGDRYIAWNIEIO-QBFSEMIESA-N 383.274 6.469 30 40 GKEB Cc1nn(C)cc1/C=N/N=C1\CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 118916368 XKGJSFZJELCKIZ-WNWCJGFDSA-N 394.607 5.936 30 40 GKEB Cc1c(/N=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cccc1C(=O)O 144020939 HANOGDDLRVDXJS-CVKSISIWSA-N 388.511 6.149 30 40 GKEB CCCCOC(=O)c1ccc(/N=C/c2cccn2-c2ccc(OC)cc2)cc1 408955645 XZUJEVZLGGNMKL-JJIBRWJFSA-N 376.456 5.193 30 40 GKEB C=CCn1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c2ccccc21 408972281 OTPAYNUMBUPLCO-AQTBWJFISA-N 395.384 5.176 30 40 GKEB CC[C@@H](C)c1ccc(/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)cc1 409068388 RCFRJZVKEHCHCD-VURRPDKYSA-N 377.238 5.327 30 40 GKEB CCN1C(=O)/C(=C\c2ccc(OC)c(Cl)c2)S/C1=N/c1ccc(F)cc1 409241731 UHVWFOCQIUXTFT-CKAZZZDQSA-N 390.867 5.112 30 40 GKEB FC(F)(F)CNc1ccccc1OCCC(F)(F)C(F)(F)Br 1083811771 NVIKCHWPCLSQTN-UHFFFAOYSA-N 398.116 5.053 30 40 GKEB COc1cc(/C=N/c2oc(C)c(C)c2C#N)ccc1OCc1ccccc1Cl 1098522 ZMAQVYQQDPCLOW-BRJLIKDPSA-N 394.858 5.760 30 40 GKEB Cc1cc([N+](=O)[O-])c(Cl)cc1-c1ccc(/C=C2\C(=O)C(C)(C)OC2(C)C)o1 1428926 SIMFARLSWNJRBR-NTEUORMPSA-N 389.835 5.357 30 40 GKEB CCOC(=O)c1c(-c2ccc(C)cc2)csc1/N=C/c1cc(OC)ccc1O 2359233 KDGRUQQNDLKHRZ-FSJBWODESA-N 395.480 5.365 30 40 GKEB C(=N/c1ccccc1)\C1=C(c2ccccc2)Oc2ccccc2[C@H]1c1ccccc1 2902862 SXVUZNJHWGLXJY-GMDQVSJLSA-N 387.482 7.025 30 40 GKEB COc1cc(/C=C/C(=O)Oc2ccc(Cl)c3ccccc23)ccc1OCC#N 3335915 CCLKGULFXMZSOL-YRNVUSSQSA-N 393.826 5.023 30 40 GKEB Cc1cccn2c(/C=N/OCc3ccc(F)cc3)c(-c3ccc(Cl)cc3)nc12 4024661 GPCSHVDANKFUHN-DHRITJCHSA-N 393.849 5.653 30 40 GKEB O=C(/C=C/c1nc(-c2ccccc2)cs1)c1ccccc1OCc1ccccc1 4193807 JGWCRYINLGVOEW-FOCLMDBBSA-N 397.499 6.285 30 40 GKEB O=[N+]([O-])c1ccc(/C=N/c2nc(-c3ccccc3)c(-c3ccccc3)s2)o1 4698718 UYUGDBUKYBGSHO-FYJGNVAPSA-N 375.409 5.729 30 40 GKEB CCCCCC(=C/c1ccco1)/C=N/N=C/C(=C/c1ccco1)CCCCC 4900975 PQWFCXHFSZVONA-JLKPBJCMSA-N 380.532 7.557 30 40 GKEB N#Cc1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)o2)cc1 5647374 GATNLKUOHAKGBZ-UNOMPAQXSA-N 388.473 5.224 30 40 GKEB CSc1nc(-c2ccc(Cl)cc2)c(C#N)c(N2CCCc3ccccc32)n1 19820506 VXICQEYIDGNPJF-UHFFFAOYSA-N 392.915 5.475 30 40 GKEB CCN(CC)Cc1c(O)ccc2c1O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 20647074 WPGRHIFPVZLYIY-JLPGSUDCSA-N 399.490 5.517 30 40 GKEB C=CC[n+]1c(-c2ccc(Cl)cc2)csc1Nc1ccc(NC(C)=O)cc1 26570121 IERMJVLUJRXSGQ-UHFFFAOYSA-O 384.912 5.244 30 40 GKEB Cc1cc(-c2ccccc2)sc1C(=O)/C=C1/Nc2cc(Cl)ccc2OC1=O 100820675 VKXCBGPLYZVKQW-LFIBNONCSA-N 395.867 5.475 30 40 GKEB CCCCCCCCCCCCCCCCCCNC(=O)[C@H](C)OC(C)=O 104394568 DPRXJIQKNUUUQG-NRFANRHFSA-N 383.617 6.316 30 40 GKEB C=CCOc1ccc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1OCC 408559844 WUOGLNVCNXBDBC-FQEVSTJZSA-N 389.904 5.082 30 40 GKEB Cc1cc(/C=N/c2ccc(-c3ccccc3)cc2)c(C)n1-c1cccc(Cl)c1 408751879 DHTWTUBYUXWWTM-WPWMEQJKSA-N 384.910 7.165 30 40 GKEB Cc1cc(/C=N\c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(C(C)(C)C)cc1 408968592 XSAXHNBOVCZRKT-IWIPYMOSSA-N 375.472 6.050 30 40 GKEB Cc1ccc(/N=C\c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)cc1 409111335 IDIYYLAUQYNQCZ-XKZIYDEJSA-N 382.872 6.458 30 40 GKEB O=C1/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)Cc2ccccc21 409372647 OKCKQTZSIXOKSR-LDADJPATSA-N 395.285 6.395 30 40 GKEB CC1(C)CC(=O)C2=C(C1)c1cc3ccccc3cc1N[C@@H]2c1ccc2c(c1)OCO2 793767 BTGXDGANSHWTGI-RUZDIDTESA-N 397.474 5.878 30 40 GKEB C=C(C)CSc1ncnc2c1sc1nc(CCC)c3c(c12)CC(C)(C)OC3 2295185 GCKCKOWDNHVSGD-UHFFFAOYSA-N 399.585 5.712 30 40 GKEB C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccccc2Cc2ccccc2)c1 3227687 ZSGZJVRWROHCFP-UHFFFAOYSA-N 384.523 6.367 30 40 GKEB C=CCOc1ccc(C(=O)NCCSCc2c(Cl)cccc2Cl)cc1 8558410 QOYQPJLUTGXHHZ-UHFFFAOYSA-N 396.339 5.221 30 40 GKEB Cc1cc(-c2csc(CC#N)n2)c(C)n1C(c1ccccc1)c1ccccc1 14092900 JRARUFGQQPLSLF-UHFFFAOYSA-N 383.520 5.932 30 40 GKEB Cc1ccc(-c2ccc(/C=N/Nc3nc4ccccc4[nH]3)o2)cc1Br 14134293 WBPOCOADOYGQII-SRZZPIQSSA-N 395.260 5.340 30 40 GKEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2)cc1 18123019 LVFBSAHSTUIEHZ-BCHFMIIMSA-N 396.490 5.675 30 40 GKEB CCCCCCCCCCCCCCCCC/C(=N/O)c1ccc(Cl)cc1 95740464 CBFANXZBYHRDSV-LCUIJRPUSA-N 394.043 8.780 30 40 GKEB CCCCCCCCCC(=O)c1ccc(OCC(=O)N2CCCCC2)cc1O 100925771 KDNDUWXIYNZOTE-UHFFFAOYSA-N 389.536 5.107 30 40 GKEB CCCCCCCCCCC(=O)N([C@@H](C)CC(C)C)[C@@H]1C[C@@H](C)CC(C)(C)C1 104359768 HGOJUIFXBFNCIA-TZRRMPRUSA-N 393.700 7.995 30 40 GKEB CC(C)COc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1C#N 225761413 DOWVDEJWAYHNEL-UHFFFAOYSA-N 394.490 5.573 30 40 GKEB Cc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c(Cl)c1 408629046 JQMZEICCBKOHTG-CYBMUJFWSA-N 386.948 5.985 30 40 GKEB CSc1ccccc1[C@H]1CCCCC[C@@H]1OS(=O)(=O)c1ccc(C)cc1 1715749 WNCLJWDPZQUUAG-QUCCMNQESA-N 390.570 5.539 30 40 GKEB CCCCCCCCCC(=O)Oc1cccc(N2C(=O)c3ccccc3C2=O)c1 2062990 DUXHNZHPUCTOSF-UHFFFAOYSA-N 393.483 5.533 30 40 GKEB CCCCOC(=O)CCCCCCC/C=C/[C@@H]1C=C[C@H](CCCC)C[C@@H]1C#N 4416942 WGKZWDKWFFLRAI-VVBYAVMISA-N 387.608 7.139 30 40 GKEB N#CCCN(CCC#N)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2Cl)cc1 5420676 ZXXVVTBKBDDTSE-GHVJWSGMSA-N 382.811 5.297 30 40 GKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1ccc(Cl)cc1Cl 5426996 SQNQTNVVTFXEDW-IFRROFPPSA-N 378.137 5.366 30 40 GKEB CC(C)(C)c1ccc(/C=N/OCC(=O)N(Cc2ccccc2)C(C)(C)C)cc1 5752702 JWWHOCCOIRFFLM-PCLIKHOPSA-N 380.532 5.162 30 40 GKEB Cc1ccc(C)c(/N=C/c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)c1 8367975 UMICRCLKRJIOOF-ZMOGYAJESA-N 394.858 6.195 30 40 GKEB O=C(Nc1ccccc1)c1c(/N=C/c2ccccc2Cl)sc2c1CCCC2 59720357 ISOGYDVZKMVVEX-ZVHZXABRSA-N 394.927 6.283 30 40 GKEB CCCCCCCCCCCCCCCCNCc1cccc(OC(C)C)c1 100023707 VHONFOJLJLCJGK-UHFFFAOYSA-N 389.668 8.045 30 40 GKEB CC(C)(C)/[N+]([O-])=C/[C@@H](c1ccccc1)[C@@H](/C=[N+](/[O-])C(C)(C)C)c1ccccc1 104241737 CILLGYSYGQMQPA-JRMHWZTDSA-N 380.532 5.313 30 40 GKEB FC(F)(F)c1cccc(-n2cccc2/C=N/c2ccc(-c3ccccc3)cc2)c1 408931464 MBEOOJHWNDFRGF-OGLMXYFKSA-N 390.408 6.914 30 40 GKEB CC(C)(C)[C@H]1CCc2c(sc(N=C3C(=O)Nc4ccc(Cl)cc43)c2C#N)C1 409122235 ZHMHXGNKXBPHLO-NSHDSACASA-N 397.931 5.497 30 40 GKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccc(N(CC)CC)cc2)cc1OC 409376145 VCAFBKBKOYOVNL-DTVDJLOLSA-N 388.939 6.123 30 40 GKEB C[C@@H]1CCc2c(sc(NC(=O)CSc3ccc(Cl)cc3)c2C#N)C1 710291 FPTXRQTZSMLROP-LLVKDONJSA-N 376.934 5.129 30 40 GKEB CCCCCCCCCCOC(=O)NC1c2ccccc2Oc2ccccc21 1865418 MARKPUQARGCNOV-UHFFFAOYSA-N 381.516 6.749 30 40 GKEB CCn1c2ccccc2c2cc(/C=N/c3ccc(OC(F)(F)F)cc3)ccc21 2266378 YFOFRESAOAIJBL-VULFUBBASA-N 382.385 6.464 30 40 GKEB COCCN1C(=O)/C(=C/c2ccc(C(C)C)cc2)S/C1=N\c1ccccc1 4660383 PESYGBTYPWDHEG-BLFRMDKKSA-N 380.513 5.060 30 40 GKEB Clc1ccc(/C=N/Nc2nc(-c3ccccc3Cl)nc3ccccc23)cc1 4828700 MKBYDBHGRQPQGO-ZMOGYAJESA-N 393.277 6.050 30 40 GKEB CCOc1ccc(C(=O)/C(C)=N/OC(=O)Nc2cccc3ccccc23)cc1 4836776 ZSKQFIZHHGJWAL-BUVRLJJBSA-N 376.412 5.046 30 40 GKEB CN(C(=O)CSc1ccc(Cl)c(C(F)(F)F)c1)C1(C#N)CCCCC1 7679871 DCLFONXNSBYXSY-UHFFFAOYSA-N 390.858 5.136 30 40 GKEB COc1ccc(/N=C/c2ccccc2OCc2ccc(Br)cc2)cc1 8116658 IJLLIYZKQZGMMH-OEAKJJBVSA-N 396.284 5.787 30 40 GKEB CC(C)Oc1ccc2ccccc2c1/C=N/NCc1c(Cl)cccc1Cl 9196120 KODCXXQGKGMNBP-WYMPLXKRSA-N 387.310 6.058 30 40 GKEB Cc1ccc(-c2nc(N/N=C/c3cccc(O)c3)sc2-c2ccccc2)cc1 59484245 DGPYFNHJTPXNLB-BUVRLJJBSA-N 385.492 5.937 30 40 GKEB Cc1cc2c(cc1/C=N/c1ccc(C(C)C)cc1)[C@H](C)CC(C)(C)N2C(C)C 223617983 BVWZPRBOJFGJMU-CSWGWEJPSA-N 376.588 7.370 30 40 GKEB Cc1sc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)c(C#N)c1C 1001274 XGOVAMWIADETSQ-UHFFFAOYSA-N 389.505 5.766 30 40 GKEB N#Cc1c(SCC(=O)c2ccccc2F)nc(-c2ccccc2)c2c1CCC2 1390264 CRLLMVLBEIPSIA-UHFFFAOYSA-N 388.467 5.223 30 40 GKEB Cc1ccc2oc(-c3ccc(C)c(/N=C/C=C/c4ccc(Cl)cc4)c3)nc2c1 2896622 SVJOMSVKDAPOMH-DWOGBDTMSA-N 386.882 7.181 30 40 GKEB COc1c(N/C(=C/C(=O)c2ccccc2)c2ccccc2)ccc2c(C)c(C)[nH]c12 4186710 QEOUWVQPXWLRFA-XQNSMLJCSA-N 396.490 6.129 30 40 GKEB Cc1cc(/C=N/c2ccc(C(=O)O)cc2)c(C)n1-c1ccc(-c2ccccc2)cc1 4797827 ICHZUTGBSSOTGW-WPWMEQJKSA-N 394.474 6.210 30 40 GKEB Cc1ccc(/N=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2)cc1 8371813 DVMZHAAEWZBSKK-ZVHZXABRSA-N 378.859 5.417 30 40 GKEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1cccc(O)c1)Nc1ccccc1N2 18142511 MNNYYWDJMGQQHK-BVZFJXPGSA-N 382.463 5.372 30 40 GKEB C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)N(Cc1cccnc1)Cc1ccccc1OC)C2 19460713 FZSILBDNDZMALB-OFVILXPXSA-N 390.527 5.002 30 40 GKEB CCCCCCCCOc1ccc(/C=C/C(=O)Oc2ccc(C=O)cc2)cc1 101005026 XBAYHRNANLJPNZ-SFQUDFHCSA-N 380.484 5.857 30 40 GKEB CCN(CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2)c1ccccc1 408546977 HZHCLXWMIKXDKV-MRXNPFEDSA-N 395.572 5.236 30 40 GKEB N#Cc1ccccc1CO/N=C/c1ccccc1OCc1ccccc1Cl 408593708 COFHWZQTQCYHAP-AFUMVMLFSA-N 376.843 5.341 30 40 GKEB C[C@H](NC(=O)COc1ccc(/C=N\c2ccccc2Cl)cc1)c1ccccc1 408808011 IRXHQFNYLNFGTH-HAWKZNDISA-N 392.886 5.347 30 40 GKEB CCCN1C(=O)/C(=C\c2ccccc2OCC)S/C1=N\c1ccc(C)cc1 408915758 QYOKIUGAWLFJNC-OCIPIQTLSA-N 380.513 5.408 30 40 GKEB CCN1C(=O)/C(=C\c2c(F)cccc2Cl)S/C1=N/c1ccc(F)cc1 409236382 FQMUWZTYBQYYBA-UGUJKLNUSA-N 378.831 5.242 30 40 GKEB Cc1ccc(OCCCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c(C)c1 1914037 ADKFGXMZPJUGST-OAHLLOKOSA-N 382.529 5.159 30 40 GKEB C=CCSc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 2374437 JPGSGUTXUYBWGY-UHFFFAOYSA-N 375.522 5.673 30 40 GKEB Cc1cccc(/C=N/c2ccc3oc(-c4ccc(C(C)(C)C)cc4)nc3c2)c1O 4603376 UMHCPIKMPCGDJH-CVKSISIWSA-N 384.479 6.557 30 40 GKEB O=C(Oc1ccc(F)cc1C(=O)/C=C/c1cccs1)c1ccc(Cl)cc1 4954206 KDUKONGLEVWFKT-CMDGGOBGSA-N 386.831 5.656 30 40 GKEB COc1cccc(/C=N/Nc2nc(-c3ccc(Br)cc3)cs2)c1 4980095 NRNHXOAMDRYFJJ-VXLYETTFSA-N 388.290 5.027 30 40 GKEB CCCCCCC(=O)/C=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1 5430555 VAKQPAWUSSIBFA-DTQAZKPQSA-N 381.428 5.367 30 40 GKEB Cc1cccc(-c2ccc(/C=N\c3ccc(O)c(-c4nc5ccccc5o4)c3)o2)c1 5548620 JUPSSBXZADYTKW-YSMPRRRNSA-N 394.430 6.519 30 40 GKEB C=CCn1c(SCCCCC#N)nc2sc(-c3ccccc3)c(C)c2c1=O 7060698 RMIJGBRLVYIWGK-UHFFFAOYSA-N 395.553 5.405 30 40 GKEB Cc1cc(/C=N/NCc2ccc(Cl)cc2)c(C)n1-c1cccc2ccccc12 10118937 ZLDWVNYIVCXMHB-JVWAILMASA-N 387.914 6.024 30 40 GKEB Cc1cc(O)c(CN2CCCCC2)c2c1C(=O)/C(=C/c1cc3ccccc3o1)O2 20647353 BKYICNAMRARSCT-BKUYFWCQSA-N 389.451 5.049 30 40 GKEB biogenic N#Cc1c(/N=C/c2cccc3ccccc23)oc(-c2ccccc2)c1-c1ccccc1 40148045 SJRAGWPUUXUXDI-NDZAJKAJSA-N 398.465 7.389 30 40 GKEB CCO/C=N\c1c(C#N)c(-c2ccc(Cl)cc2)cn1-c1ccc(Cl)cc1 100350652 JMRMBPJHROLJHN-CFRMEGHHSA-N 384.266 6.019 30 40 GKEB Cc1cc2c(cc1C=C1C(=O)c3ccccc3C1=O)[C@@H](C)CC(C)(C)N2C(C)C 223600061 VJDWJNDSUHCZMH-KRWDZBQOSA-N 387.523 5.958 30 40 GKEB C=CCNC(=O)c1c(NC(=O)c2ccccc2)sc2c1CC[C@@H](C(C)(C)C)C2 2182365 FIZZJFKZCIZORT-MRXNPFEDSA-N 396.556 5.067 30 40 GKEB CC(C)(C)c1cc(/N=C/c2cc(Cl)cc(Cl)c2O)cc(C(C)(C)C)c1O 4154954 CRYWTFPRJLPGPF-BHGWPJFGSA-N 394.342 6.750 30 40 GKEB CC(C)Oc1nc(-c2cccc(Br)c2)cc(-c2ccccc2)c1C#N 5260935 WEVGRVZKVGMECG-UHFFFAOYSA-N 393.284 5.837 30 40 GKEB C/C=C/Oc1ccc(C(=O)/C(=C\c2ccccc2)c2nc3ccccc3o2)cc1 11614471 LZLNHLFRHBRJCY-UXHLKONMSA-N 381.431 6.164 30 40 GKEB CCCCc1nc(N[C@H](C)Cc2ccccc2)c(C#N)c2c1CSC(C)(C)C2 13763436 OMNVFEYZWVJZJC-QGZVFWFLSA-N 393.600 5.907 30 40 GKEB Cc1cccc2c1Oc1nn(-c3ccccc3)c(/N=C/c3ccc(F)cc3)c1C2 20849556 CGGCLASRDYIDLA-CVKSISIWSA-N 383.426 5.767 30 40 GKEB C=CCOc1ccc(C2=NN3[C@H](c4ccccc4)Oc4ccccc4[C@H]3C2)cc1 36352196 OWXHCAALULOPQF-NOZRDPDXSA-N 382.463 5.494 30 40 GKEB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N\c3ccc(N(C)C)cc3)cc21 223521596 JPGRXHFJBJAYNC-QQXSKIMKSA-N 375.560 6.222 30 40 GKEB CCOc1ccc(/C=N\Nc2ccc(C(F)(F)F)cc2)cc1Br 408933027 GUKWANATGXTVMO-FBHDLOMBSA-N 387.199 5.313 30 40 GKEB COc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCc1ccccc1Cl 409213113 SJDHFSVHRILMPH-AFUMVMLFSA-N 379.887 6.295 30 40 GKEB O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1c(O)ccc2ccccc12 409275976 NMJVXPYQTMEELI-UHFFFAOYSA-N 397.478 5.185 30 40 GKEB N#Cc1c(NC(=O)/C=C/c2ccccc2)oc(-c2ccccc2)c1-c1ccccc1 4853912 BLCUTXQRKNXCIH-WUKNDPDISA-N 390.442 6.137 30 40 GKEB CCc1cccc(C)c1/N=C1\NC(=S)N(c2ccccc2C)C12CCCC2 5794856 VTAMSDFFCRDFOY-UHFFFAOYSA-N 377.557 5.603 30 40 GKEB Cc1c(Cl)cccc1/N=C/c1ccccc1OCC(=O)Nc1ccccc1 8278059 SLQIPQQNIQHXKL-ZVHZXABRSA-N 378.859 5.417 30 40 GKEB O=C1[C@H](Cc2ccc(F)cc2)S/C(=N\c2ccccc2)N1c1ccccc1 13142721 UEYFPZXCVSZFMI-HNWIBAKRSA-N 376.456 5.205 30 40 GKEB Cc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(Cl)cc3Cl)S2)cc1C 35647450 PTUSSFZBGVWYNP-LZYBPNLTSA-N 377.296 5.502 30 40 GKEB CCCCCCOc1ccc(/C=N/c2ccc(OCC3=CCOCC3)cc2)cc1 98086190 RNKOEKIXRXJNMK-LGUFXXKBSA-N 393.527 6.122 30 40 GKEB CCCCCCCCCCCC(=O)C1=C(OC)CC(C)(C)[C@@H](C(=O)OC)C1=O 100740664 IYDDVEFHLYPXJZ-HXUWFJFHSA-N 394.552 5.165 30 40 GKEB biogenic CC(C)(C)/N=C1\[C@H](N2CCCCC2)C2(CCCCC2)C(=O)N1c1ccccc1 101377394 BLBUNNYDGLQOCO-MEQARESCSA-N 381.564 5.035 30 40 GKEB O=[N+]([O-])c1ccc(/C=N\c2ccc3c(c2)sc2sc4ccccc4c23)cc1 101672129 YPSWEWZMQWKDRR-UUYOSTAYSA-N 388.473 6.928 30 40 GKEB CCC(=O)N(/C=C1\Sc2ccccc2C1=O)c1cccc(Br)c1 102785409 XIXJTNWZHXSFNA-WJDWOHSUSA-N 388.286 5.022 30 40 GKEB CCCCCCCCCC(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1OC 102998367 LNQZLMNUJHLYNP-UHFFFAOYSA-N 396.531 6.027 30 40 GKEB C=CCOc1ccc(NC(=S)N[C@H](CC(C)C)c2ccc(OC)cc2)cc1 225500924 DDVOICQJRLZTNA-OAQYLSRUSA-N 384.545 5.334 30 40 GKEB Cc1ccc(-c2nc(N/N=C/c3ccccc3O)sc2-c2ccccc2)cc1C 408976338 QQIDTTOUGOJLTR-MFKUBSTISA-N 399.519 6.246 30 40 GKEB Cc1cc(/C=N\c2sc3c(c2C#N)CCCC3)c(C)n1-c1cccc(Cl)c1 409067452 YEWCDZWMPRCOSI-MXAYSNPKSA-N 393.943 6.310 30 40 GKEB CC[C@@H](C)Oc1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 409069382 XLQQBGFZWONXIO-VTGBELTLSA-N 381.354 5.237 30 40 GKEB Cc1cccc(NC(=O)COc2ccc(/C=N/c3ccc(C)c(Cl)c3)cc2)c1 409217293 OSTIJBRTFQZAIZ-AFUMVMLFSA-N 392.886 5.725 30 40 GKEB Oc1ccccc1/C=N/c1ccc2oc(-c3ccc(Br)cc3)nc2c1 847929 QZMSVOGYADFPNZ-WSDLNYQXSA-N 393.240 5.714 30 40 GKEB Cc1ccccc1/N=C1\S[C@@H](C)CN1C(=O)Nc1cccc(C(F)(F)F)c1 851686 UMLIEDAAUGOEKV-ZBIUUBHZSA-N 393.434 5.671 30 40 GKEB CSc1ccc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc1 1025780 BSMUCANIKIIEPV-HSZRJFAPSA-N 392.568 6.247 30 40 GKEB Clc1ccc(/C=N/c2ccc(-c3nc4ccccc4s3)cc2)cc1Cl 3113881 BPADUBGOOGMRJA-FSJBWODESA-N 383.303 7.021 30 40 GKEB Cc1ccc(/N=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)cc1 8371742 BOAOBPWJKDNTRW-JVWAILMASA-N 385.894 7.131 30 40 GKEB CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1 12652092 RIMQJJWQKLWGME-QHCPKHFHSA-N 388.511 5.486 30 40 GKEB Clc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1 59471637 KELVDCOUUNGIGF-IJOHZJHPSA-N 384.910 6.917 30 40 GKEB C[C@H]1CC[C@@H]([C@@H]2C[C@@H]3CC[C@@H]2C3)/C(=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 101653249 GAQNEEVUJTXDHR-BQPOXKAISA-N 386.452 5.143 30 40 GKEB CCN1c2cc(C)c(/C=N\NC(=S)Nc3ccccc3)cc2C(C)=CC1(C)C 208522524 XRJNGFOHNNMMRY-IWIPYMOSSA-N 392.572 5.337 30 40 GKEB C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H](/N=C\c3ccccc3)CC[C@H]12 253501213 PSKHDAPOVCIOJR-RLTJIONGSA-N 379.588 5.878 30 40 GKEB N#Cc1ccccc1CO/N=C\c1ccccc1Sc1ccc(Cl)cc1 408593543 BDSCPIFTPCGGEM-OYKKKHCWSA-N 378.884 5.914 30 40 GKEB CC[C@H](C)Oc1ccccc1/C=C1\SC(=Nc2ccccc2Cl)NC1=O 408602484 OPQHUXBFZOCGNJ-CYUIRQCWSA-N 386.904 5.409 30 40 GKEB COc1ccc(C(=O)/C=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)cc1 408660454 QABLDWAJPIDSQC-VGOFMYFVSA-N 389.407 5.079 30 40 GKEB Cc1ccc(/N=C/c2ccc(OCc3ccccc3)c(C(=O)O)c2)cc1Cl 409208132 BEIZFWFCHKKIHI-ZMOGYAJESA-N 379.843 5.676 30 40 GKEB CC1(C)CC(=O)C2=C(C1)N(c1ccccc1F)C(=O)C[C@H]2c1ccc(Cl)cc1 1079515 OHZNTVBPOCWQDK-INIZCTEOSA-N 397.877 5.643 30 40 GKEB CCCCCCCC[n+]1c(C)n(-c2ccccc2)c2ccc(NC(C)=O)cc21 1881849 OIPAZXPEORXZGH-UHFFFAOYSA-O 378.540 5.545 30 40 GKEB Fc1ccc(-c2nc3cc(/N=C/c4cc5c(cc4Cl)OCO5)ccc3o2)cc1 3202495 UFMROSXLENROMP-YSURURNPSA-N 394.789 5.767 30 40 GKEB Cc1ccccc1OCc1ccc(-c2nc(C#N)c(N(C)Cc3ccccc3)o2)o1 8844558 ZNNWXZLRHXDFLA-UHFFFAOYSA-N 399.450 5.330 30 40 GKEB Cc1ccc(/C=C2\Oc3c(ccc(O)c3CN(CC(C)C)CC(C)C)C2=O)o1 13655344 SMCDVRYDLMUPIG-FBHDLOMBSA-N 383.488 5.024 30 40 GKEB Cc1ccsc1/C=C1\Oc2cc(OC(=O)c3ccccc3F)ccc2C1=O 13769593 RXYQOEYNDBROMQ-WQRHYEAKSA-N 380.396 5.031 30 40 GKEB O=C(/C=C/Nc1ccc(Oc2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 32100214 UAQHUFSYIRTAOJ-FMQUCBEESA-N 391.470 6.954 30 40 GKEB CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1ccc(Cl)cc1 100563543 XJHGLZJWGACNPS-IBGZPJMESA-N 389.882 5.278 30 40 GKEB CCCCCCCCCCCCN(C(C)=O)c1ccc(C(=O)C(F)(F)F)cc1 103645800 GPXFKRMUGRAQRX-UHFFFAOYSA-N 399.497 6.705 30 40 GKEB CCCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1C#N 225681939 IDSNGXHKYGGSNQ-UHFFFAOYSA-N 380.463 5.327 30 40 GKEB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C/C=C\c1ccccc1 225694664 CNATZRJRPIOVRF-BDHXSDMVSA-N 398.550 6.389 30 40 GKEB O=[N+]([O-])c1cccc(CO/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)c1 408590804 IADBIDXLSWAHPO-LPYMAVHISA-N 398.871 5.950 30 40 GKEB Cc1cccc(Cn2cc(/C=N/OCc3cccc([N+](=O)[O-])c3)c3ccccc32)c1 408595630 XNNVIQRJSZRTSL-AFUMVMLFSA-N 399.450 5.457 30 40 GKEB Cc1ccc(/N=C/c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)cc1C 408850718 CYSFTYQCVPQABT-WYMPLXKRSA-N 380.875 5.813 30 40 GKEB Cc1ccc(/N=C\c2cccc(OCc3ccc(Br)cc3)c2)cc1C 409208083 ARZKNWBUMOIDCB-OYKKKHCWSA-N 394.312 6.396 30 40 GKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccc(C(=O)OC)cc2C)cc1OC 409385111 HOTXSMVQLZSGFU-CHOFVFFHSA-N 389.879 5.372 30 40 GKEB Cc1ccc2nc(-c3ccc(/N=C/c4ccc([N+](=O)[O-])s4)cc3)sc2c1 912831 ICZBSGVYJMJLLH-RGVLZGJSSA-N 379.466 5.992 30 40 GKEB Cc1ccc(-c2nc3cc(/N=C/c4c(O)ccc5ccccc45)ccc3o2)cc1C 3114023 INVFNRASJSYOKJ-JFLMPSFJSA-N 392.458 6.721 30 40 GKEB O=C(Cc1c(Cl)cccc1Cl)N1CCCS/C1=N\Cc1ccccc1 6474769 NXVPPMOPTGIEHM-QOCHGBHMSA-N 393.339 5.058 30 40 GKEB CC(C)[C@@H]1CC[C@H](C)c2cc(C#N)c(SCc3nc4ccccc4[nH]3)nc21 6525641 VFUBCZJYTOOWEB-HOCLYGCPSA-N 376.529 5.759 30 40 GKEB O=C(/C(=C/c1ccc(Cl)cc1Cl)n1cncn1)c1ccc(Cl)cc1 8775305 PNNJERKRRKSTDO-APSNUPSMSA-N 378.646 5.119 30 40 GKEB CCCCN(C)Cc1c(O)ccc2c1O/C(=C\c1c(F)cccc1Cl)C2=O 20648802 PQMCCXGFFXYBIU-ODLFYWEKSA-N 389.854 5.033 30 40 GKEB O=[N+]([O-])c1ccc(N/N=C\c2ccc(OCc3ccc4ccccc4c3)cc2)nc1 33749516 ONLDZOIMRUZXIG-QFEZKATASA-N 398.422 5.168 30 40 GKEB Oc1ccc(Br)cc1/C=N/c1ccc2nc(-c3ccccc3)oc2c1 102419316 HIQVZTMPKZRNSK-WSDLNYQXSA-N 393.240 5.714 30 40 GKEB C=CCSc1ccccc1C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 224307800 GZEHBCFKZJWEMI-UHFFFAOYSA-N 387.917 5.389 30 40 GKEB CC(=NNc1nc(-c2ccccc2)cc(-c2ccc(F)cc2)n1)c1ccc(O)cc1 252394463 NPQUCFHFRGLVNT-UHFFFAOYSA-N 398.441 5.491 30 40 GKEB Cc1ccc(-c2c(C#N)c(C(=O)c3cccs3)nn2-c2ccc(C)cc2)cc1 667771 NBEOTITYKOXCAO-UHFFFAOYSA-N 383.476 5.320 30 40 GKEB CCN(CC)c1ccc([C@@H]2C3=C(CCCC3=O)Nc3ccc4ncccc4c32)cc1 1441348 KUROJJZWNBRSBA-DEOSSOPVSA-N 397.522 5.646 30 40 GKEB CCCCCCCSc1nc2ccc(/N=C/c3ccccc3O)cc2s1 1573737 HNAXJCKXMHRJEX-PXLXIMEGSA-N 384.570 6.815 30 40 GKEB COc1ccc(NC(=S)/N=C(\Nc2ccc(C)cc2)c2ccccc2)cc1 4063612 FYPUTZKSYZAYPL-UHFFFAOYSA-N 375.497 5.259 30 40 GKEB C=CCSC1=N[C@]2(C[C@@H](c3ccccc3)Oc3cc(O)ccc32)CC(C)(C)N1 4535710 PEDQZAYYCYICDC-NZQKXSOJSA-N 394.540 5.158 30 40 GKEB O=C(/C(=C/c1cccc([N+](=O)[O-])c1)c1nc2ccccc2s1)c1ccccc1 5735013 KLGWFMOKJUOZKV-JXAWBTAJSA-N 386.432 5.628 30 40 GKEB Clc1ccc(CO/N=C/Nc2nccc(-c3cccs3)n2)c(Cl)c1 6926718 DRMRSJCZQVCIQM-UHFFFAOYSA-N 379.272 5.084 30 40 GKEB CC(C)c1ccc(C(=O)/C=C(O)/C(O)=C/C(=O)c2ccc(C(C)C)cc2)cc1 18115942 WKQHRMWIKFUUPP-GACBQCINSA-N 378.468 5.883 30 40 GKEB COc1ccc(/N=C2/S/C(=C\c3ccc(C)cc3)C(=O)N2CC(C)C)cc1 32107138 JZKZXUMBEFSGTI-GSSCTWANSA-N 380.513 5.264 30 40 GKEB C/C(=N\OC(=O)Nc1cc(Cl)nc(Cl)c1)c1cc(-c2ccccc2)no1 33381029 XVVGUEKZESMHIZ-LSHDLFTRSA-N 391.214 5.016 30 40 GKEB OCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 79880822 SUBCOGZKZCCKOV-UHFFFAOYSA-N 390.330 6.348 30 40 GKEB C=CCOc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCCCC3)cc2)cc1 225665929 CBMCJHUWBVGOIY-SFHVURJKSA-N 395.572 5.289 30 40 GKEB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@]2(O)C#Cc1ccccc1 253618232 LZYLYVQWNIUJNH-WGTHHJMWSA-N 392.583 5.173 30 40 GKEB C=CCn1c(-c2ccc(Cl)cc2Cl)csc1=Nc1ccccc1C 254590663 CEYRYKYEWSKRCZ-UHFFFAOYSA-N 375.324 6.250 30 40 GKEB C=CCc1cc(CNc2cccc(C)c2)cc(OC)c1OCc1ccc(F)cc1 409120651 RNJDOMATJMCMJS-UHFFFAOYSA-N 391.486 6.062 30 40 GKEB COc1ccc(-c2cc(C(=O)Oc3ccc(C#N)cc3)c3ccccc3n2)cc1 679095 YCWFJVBLQWRRAP-UHFFFAOYSA-N 380.403 5.001 30 40 GKEB COc1ccc(CCNc2oc(-c3ccc(C(C)(C)C)cc3)nc2C#N)cc1 5156466 DOXUSAXJZZXYEV-UHFFFAOYSA-N 375.472 5.174 30 40 GKEB O=C1/C(=C/c2ccccc2)CN(C(=O)Oc2ccccc2)C/C1=C\c1ccccc1 5889690 XLDMFJRQWIVEPX-LKNRODPVSA-N 395.458 5.237 30 40 GKEB COc1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)cc1 8116437 BMDQEZDEJRAPRN-DHRITJCHSA-N 399.849 5.826 30 40 GKEB CC1=C(C(=O)OC2CCCCCC2)[C@H](c2ccccc2F)C2=C(CCCC2=O)N1 19972795 RUWJXLLHZUAYQC-QFIPXVFZSA-N 397.490 5.060 30 40 GKEB Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(Cl)cc(Cl)c1 58773065 RKINWGFJTVSTPY-UHFFFAOYSA-N 398.249 5.613 30 40 GKEB CCC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103530274 XCJFRJNJPFVEKW-SNAWJCMRSA-N 388.167 6.082 30 40 GKEB CC/N=C1/C=C/C(=C(/c2ccc(NCC)c(C)c2)c2ccccc2Cl)C=C1C 104380945 TVKGDNHBYVWSOH-LNOIIBRLSA-N 390.958 6.859 30 40 GKEB CCCCCCCCCCC[C@]1(CCCCCC(=O)O)OCC(C)(C)N1[O] 138558658 XWYVCMZFJHKGRC-JOCHJYFZSA-N 384.581 6.095 30 40 GKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 252694658 NYOXRYYXRWJDKP-RIZDQLMDSA-N 384.648 7.597 30 40 GKEB biogenic C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(F)cc2)S/C1=N\c1ccccc1 408847532 NIPGJSLXMAQHAR-MNUWZKAXSA-N 394.515 6.008 30 40 GKEB COc1ccc(/N=C/c2cc(C)n(-c3ccc4ncccc4c3)c2C)cc1Cl 408965116 GSTIWLNWBGJMSX-VULFUBBASA-N 389.886 6.055 30 40 GKEB Cc1cccc(/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1C 409215268 WLIJFFAVKGJHJD-DHRITJCHSA-N 384.306 6.940 30 40 GKEB O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1ccc(Cl)cc1 409281024 CKKHZEKIJHAPDS-UHFFFAOYSA-N 399.837 5.345 30 40 GKEB O=[N+]([O-])c1ccc(N2CCCCC2)c(/C=N/c2ccc3c(c2)oc2ccccc23)c1 4180744 UQHPOXVFBBJISY-PCLIKHOPSA-N 399.450 6.235 30 40 GKEB COc1ccccc1-n1cnc2cc(/N=C/c3cccc4ccccc34)ccc21 4663580 CZLKDHIKIJTXSR-WGOQTCKBSA-N 377.447 5.938 30 40 GKEB COc1ccc(OC)c(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3o2)c1 4811401 ZDENFGIODJUVSQ-CYVLTUHYSA-N 385.419 5.269 30 40 GKEB O=C(C[n+]1ccccc1-c1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1 8844858 XERVVJSEARAPOQ-UHFFFAOYSA-N 391.903 5.301 30 40 GKEB Cc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3ccc(C)c(C)c3)n2)cc1 33011094 PIEOXSMZPALQDX-UHFFFAOYSA-N 387.508 5.276 30 40 GKEB COc1ccc(/N=C2/S/C(=C\c3ccc(C)s3)C(=O)N2CC(C)C)cc1 33294026 GDSLTYMPFOSGQT-HVEIJDALSA-N 386.542 5.325 30 40 GKEB Cc1ccc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)cc1 83319170 XKOGDOZZAMWFMI-BLOQEJBCSA-N 376.525 5.932 30 40 GKEB O=C1c2ccccc2C(=O)C1/C(=N\c1cccc(C(F)(F)F)c1)c1ccccc1 100406860 BIDCPHJNRBEJQX-OOAXWGSJSA-N 393.364 5.522 30 40 GKEB CCCCCCCCCCCCCCCCCC[n+]1ccc([C@@H](C)CC)cc1 104328937 IIDXBRLNGUITGP-SANMLTNESA-N 388.704 8.749 30 40 GKEB CCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OCCC)c(C#N)c1 225845027 KGORXPKRQMKAAM-UHFFFAOYSA-N 388.552 5.543 30 40 GKEB CCOC(=O)c1ccc(-n2c(C)cc(C=Nc3cccc4cccnc34)c2C)cc1 408737753 GJRGVADNFFXQRU-UHFFFAOYSA-N 397.478 5.570 30 40 GKEB CCOc1ccccc1/N=C\c1cc(C)n(-c2ccc(C(=O)O)c(Cl)c2)c1C 408853586 PYPVEFNFVFJXDJ-CFRMEGHHSA-N 396.874 5.595 30 40 GKEB O=C(Nc1ccccc1)c1c(/N=C/c2cccs2)sc2c1CCCCCC2 408972769 XAHDJRCDNBVWON-HZHRSRAPSA-N 394.565 6.472 30 40 GKEB Fc1cccc(COc2ccccc2/C=N/c2ccc(Oc3ccccc3)cc2)c1 409216258 JHERZPMEYJOKCB-MTDXEUNCSA-N 397.449 6.948 30 40 GKEB CC[C@H](C)Oc1c(Cl)cc(/C=N/c2cccc(C(=O)O)c2C)cc1OC 409374881 AWILFGCAAYFJOP-JHAVZTMOSA-N 375.852 5.283 30 40 GKEB CCc1cccc(C)c1NC(=O)CSc1nc2c(C)cc(C)cc2cc1C#N 4849154 CJEZLQXOUGZKMZ-UHFFFAOYSA-N 389.524 5.325 30 40 GKEB CCOc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(Cl)c(Cl)c2)cc1 5900406 ONGOWUNTCGULTL-KEBDBYFISA-N 393.299 5.195 30 40 GKEB C=CCOc1cccc(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)c1 13687805 UAONOGUOMDSDNO-UHFFFAOYSA-N 393.870 5.736 30 40 GKEB O=C(/C(=C/c1ccc(Cl)cc1)c1nc2ccccc2[nH]c1=O)c1ccccc1 35681662 CLNILSDRXISBER-NBVRZTHBSA-N 386.838 5.000 30 40 GKEB Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2cn(C)c3ccccc23)S1 59224375 ISVWDPZXUHAQNU-NVMNQCDNSA-N 381.888 5.032 30 40 GKEB CCCCCCCCCC(=O)Oc1ccc(C(=O)/C=C/c2ccc(F)cc2)cc1 100166424 QWDOOIJUANDFFW-XDHOZWIPSA-N 396.502 6.768 30 40 GKEB C/C(=C\C(=O)c1ccc(Cl)cc1)Nc1ccc(/N=N\c2ccccc2)cc1 100237732 ZTWDWSYAOREHIN-JXXUREIGSA-N 375.859 6.954 30 40 GKEB CCCCCCCCCCCC[N+](C)(CCS(=O)(=O)O)Cc1ccccc1 104242218 XPGKXGKYEQDKKA-UHFFFAOYSA-O 398.633 5.442 30 40 GKEB Cc1cc2c(cc1/C=N/c1ccc(Oc3ccccc3)cc1)[C@H](C)CC(C)(C)N2C 198080577 YIYGTOGVENTODQ-CLCAUBNZSA-N 398.550 7.260 30 40 GKEB Cc1ccc(C(=O)/C=C/c2cc(Br)c(C)c(Br)c2)cc1 408691504 AZJPLEORXYCIOU-VMPITWQZSA-N 394.106 5.725 30 40 GKEB Cc1ccc(/N=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(Cl)c2)cc1C 409203884 ZPCNZIUHIXHESR-DHRITJCHSA-N 393.870 5.985 30 40 GKEB O=C(c1cccc(OCc2cccc(F)c2)c1)C(F)(F)C(F)(F)C(F)(F)F 575357720 UCTFMBIGZIRFMH-UHFFFAOYSA-N 398.249 5.420 30 40 GKEB O=C(ON=C1c2ccccc2-c2ccccc21)c1ccc(Br)cc1 2061502 VZUDIADIMJEGSR-UHFFFAOYSA-N 378.225 5.039 30 40 GKEB CCCCCCCNC(=O)c1cc(-c2cccc(OC)c2)nc2ccccc12 2081797 YXXMZUGHWUNODC-UHFFFAOYSA-N 376.500 5.611 30 40 GKEB N#Cc1c(SC/C=C/c2ccccc2)nc2c(c1-c1cccs1)CCCC2 2262007 NMEZHYKFZRNWPK-UXBLZVDNSA-N 388.561 6.366 30 40 GKEB Fc1ccc(-c2cn3c(ccc4c(C(F)(F)F)cc(C(F)(F)F)nc43)n2)cc1 4002527 YVGVPKLTMGMCPC-UHFFFAOYSA-N 399.269 5.726 30 40 GKEB O=C1/C(=C\c2cccc(F)c2)S/C(=N/c2ccccc2)N1C1CCCCC1 4649267 WTIWVDGXRANPFB-WJGQKVTCSA-N 380.488 5.762 30 40 GKEB CCOC(=O)c1sc2c(c1C)[C@H](c1ccccc1)C1=C(CC(C)(C)CC1=O)N2 4948559 IUVKXIHZVQAMMP-SFHVURJKSA-N 395.524 5.434 30 40 GKEB C[C@H]1CCc2sc(NC(=O)c3sc4ccccc4c3Cl)c(C#N)c2C1 5193556 HQESKPKTNOQWLT-JTQLQIEISA-N 386.929 5.865 30 40 GKEB COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/N2[C@@H](C)CCC[C@H]2C)cc1 12648275 HRMBZKUVEURQED-MDICVUOZSA-N 388.515 5.145 30 40 GKEB CCC1C/C(=C/c2ccc(SC)cc2)C(=O)/C(=C/c2ccc(SC)cc2)C1 16636754 ILFHXODWIJSRCM-MEDLQYOTSA-N 394.605 6.987 30 40 GKEB CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)ON1C(=O)CCC1=O 97978801 XKYAGMPCFLOGLR-QNEBEIHSSA-N 375.509 5.183 30 40 GKEB in-vitro CCOc1ccccc1/C=C1/S/C(=N\c2ccccc2CC)N(CC)C1=O 408911163 JGWSNGDTGHSVTQ-OCIPIQTLSA-N 380.513 5.272 30 40 GKEB C=CCOc1ccc(-c2nc(O)c3c4c(sc3n2)CCCCCC4)cc1OC 408989402 KOUPGSZRAXIELG-UHFFFAOYSA-N 396.512 5.296 30 40 GKEB O=C1/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)Sc2ccccc21 3666952 GGPZJUQRRBXKAB-BKUYFWCQSA-N 378.880 6.249 30 40 GKEB C=C(C)[C@@H]1CC=C(C)[C@H](COc2ccc3ccc(=O)oc3c2)[C@@]1(C)CCC(=O)O 4027596 DRASTJFRZGDAQT-SKPFHBQLSA-N 396.483 5.201 30 40 GKEB biogenic,in-vitro C/C(=N\OC(=O)c1ccc(F)cc1)c1sc(-c2ccc(Cl)cc2)nc1C 4085472 IAQYZTHTHVIENO-FSJBWODESA-N 388.851 5.492 30 40 GKEB C/C(=N\Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccc2c(c1)CCC2 4652640 ROKGMMXSQCGJMA-LPYMAVHISA-N 378.457 5.043 30 40 GKEB C/C(=N\Nc1sc(C)c(-c2ccccc2)[n+]1Cc1ccco1)c1ccccc1 5578515 MXMVABFBIVQHJH-JJIBRWJFSA-O 388.516 5.488 30 40 GKEB CC(C)c1ccc2c(c1)/C(=N/Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(O)=N2 6377482 WUXHOFWNTISIHD-UHFFFAOYSA-N 392.337 5.155 30 40 GKEB C[C@@H](C#N)Sc1nnc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc23)o1 6839765 QGADZCBUVUMSJM-LBPRGKRZSA-N 392.871 5.609 30 40 GKEB CCOc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(C)c(C)c1 12406432 PPTBTHDPEDHAPX-WDGPBFJASA-N 376.500 5.455 30 40 GKEB CCCCOc1ccc(C(=O)/C=C/Nc2ccc(Br)cc2C)cc1 44843237 YKSWRJFIISYDRQ-VAWYXSNFSA-N 388.305 5.745 30 40 GKEB Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1sc2ccccc2c1C 57089634 VPBKNZJNDQNEKA-UHFFFAOYSA-N 399.475 5.829 30 40 GKEB COc1ccc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCC3)C2=O)cc1 100353097 ZUKJWRRRUZKGSL-BLFRMDKKSA-N 378.497 5.242 30 40 GKEB N#Cc1c(/N=C\c2ccc(Cl)cc2)oc(-c2ccccc2)c1-c1ccccc1 102644160 VQOVOQANRHDVIF-YUMHPJSZSA-N 382.850 6.889 30 40 GKEB C[C@]12CCCC[C@H]1CC[C@H]1[C@H]2CC[C@@]2(C)C(=O)/C(=C/c3ccc(Cl)cc3)C[C@H]12 253500700 HKMPOVRTHIXEAQ-ZXJFKYCISA-N 397.002 7.335 30 40 GKEB COc1cc(N2CCCC2)c(OC)cc1/C=N/c1ccc(-c2ccccc2)cc1 409101519 XYHNUOXVWUAKSF-NLRVBDNBSA-N 386.495 5.722 30 40 GKEB Oc1ccc2ccccc2c1/C=N/c1ccc2oc(-c3ccccc3F)nc2c1 793517 SPNPHQCAGHWSBO-VULFUBBASA-N 382.394 6.243 30 40 GKEB Cc1oc(/N=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)c(C#N)c1C 1093116 JLHVAEUWKFDXHL-RPPGKUMJSA-N 387.870 6.175 30 40 GKEB C=CCn1c(SCCCC)nc2sc3c(c2c1=O)CCc1ccccc1-3 2304736 RKGUGNMCAXZPQK-UHFFFAOYSA-N 382.554 5.302 30 40 GKEB C[C@@H](/N=C1\SCCN1C(=O)c1ccccc1C(F)(F)F)c1ccccc1 2643223 MXSRUJVIXSDGHK-JJDWYLCDSA-N 378.419 5.012 30 40 GKEB O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(-c2ccccc2Cl)o1 5637004 HLMPWKIMZCUPMD-WOJGMQOQSA-N 398.846 5.631 30 40 GKEB C/C(=N\N=c1\[nH]c(-c2ccccc2)c(C)s1)c1ccc(-c2ccccc2)cc1 59193784 ACBPGDAOIBQGNL-YZSQISJMSA-N 383.520 6.044 30 40 GKEB CCCCCCCCc1ccc(/N=N/c2ccc(OCCCCC)cc2)cc1 68568993 PFGSKSLPLRCIHN-CYYJNZCTSA-N 380.576 8.574 30 40 GKEB CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccc([N+](=O)[O-])cc2C)c1C 197827283 ILSRXAIZZNLAAL-ZVHZXABRSA-N 375.472 5.932 30 40 GKEB C=C(C)COc1cccc(C(=O)Nc2ccc(CSc3ccccc3)cc2)c1 219779050 IEYBKANNXUELAU-UHFFFAOYSA-N 389.520 6.186 30 40 GKEB C=CCSc1ccccc1C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 219817801 YVNXFJARRWLTHZ-GOSISDBHSA-N 383.513 5.006 30 40 GKEB C=CCOc1c(Br)cc(CNc2ccc(C)c(C)c2)cc1OC 409113947 JTDAXYMRTXYWSC-UHFFFAOYSA-N 376.294 5.251 30 40 GKEB COc1ccccc1/C=C/C=C1\Oc2cc(OCc3ccccc3)ccc2C1=O 2097112 UQSNFABSTCLOKT-ORSAQNTLSA-N 384.431 5.447 30 40 GKEB biogenic O=C(/C=C/Sc1c(Cl)c(Cl)nc(Cl)c1Cl)c1ccc(F)cc1 2556114 KNMJBZZTSLGPNW-AATRIKPKSA-N 397.085 6.323 30 40 GKEB Cc1ccc(/N=C/c2cccc([N+](=O)[O-])c2)cc1/N=C/c1cccc([N+](=O)[O-])c1 3158686 BBZNDBILDPBLHH-MSKUYSOUSA-N 388.383 5.313 30 40 GKEB CCCCOc1ccc(C(=O)/C(=C\c2cccnc2)c2nc3ccccc3o2)cc1 12377889 BJTYIMFOJHJXQS-LTGZKZEYSA-N 398.462 5.825 30 40 GKEB CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1cccc2ccccc12 19418918 CSNXGZLETIFIIU-UHFFFAOYSA-N 399.534 5.813 30 40 GKEB O=C1/C(=C/c2cnc(-c3ccccc3)nc2)CCOc2c1ccc(Cl)c2Cl 84564838 FEAWOCGPGDEUBG-XNTDXEJSSA-N 397.261 5.499 30 40 GKEB CN(C)[C@H](CNc1oc(-c2ccccc2)nc1C#N)c1ccc(C(C)(C)C)cc1 96346532 OPOPTVYYTHHVQL-OAQYLSRUSA-N 388.515 5.226 30 40 GKEB CCCCC(NCCc1c(C)[nH]c2ccccc12)=C1C(=O)CC(C)(C)CC1=O 100146920 MXKKWOUVXWEXNF-UHFFFAOYSA-N 380.532 5.011 30 40 GKEB CCCCCCCCCCCCCCCCCC1=NCCN1C(=O)OCCO 104356460 OMZAMCAGPDORCB-UHFFFAOYSA-N 396.616 6.091 30 40 GKEB CCCCCCCc1nnc(SCC(=O)Nc2ccc(Cl)cc2)n1CC 408561384 IPLDAAKTACLGBQ-UHFFFAOYSA-N 394.972 5.195 30 40 GKEB CCCOc1ccc2ccccc2c1/C=C1/SC(=Nc2ccccc2)NC1=O 409007607 PTQBHMCEBWLHJX-RCCKNPSSSA-N 388.492 5.520 30 40 GKEB Cc1cc(C)nc(Sc2ccc([N+](=O)[O-])cc2/C=N\c2cccc(Cl)c2)n1 409116444 VAUVSSKODAUSLN-NHDPSOOVSA-N 398.875 5.557 30 40 GKEB O=C1/C(=C/c2ccccc2OCc2cccc3ccccc23)Cc2ccccc21 409368389 SWVWWRYPMJCHTN-HAVVHWLPSA-N 376.455 6.241 30 40 GKEB Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccs2)cc1 729493 WCLSGIZZZLWDOK-MZNJEOGPSA-N 386.520 6.036 30 40 GKEB CCc1ccc(OCCCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 1773461 FHSNXVYYTLWBFY-HNNXBMFYSA-N 382.529 5.105 30 40 GKEB Cc1cc(Cl)ccc1OCCCC(=O)Nc1sc2c(c1C#N)CCCC2 2080192 ZYLBCRVNXFIHHJ-UHFFFAOYSA-N 388.920 5.258 30 40 GKEB O=C(/C(=C(/S)Nc1ccccc1)[n+]1ccccc1)c1ccc2ccccc2c1 3261666 CIBOBRUCFVLZGF-UHFFFAOYSA-O 383.496 5.178 30 40 GKEB Cc1ccccc1COc1ccccc1/C=N/N=C(\S)Nc1ccccc1 4136686 VPYKGOWEUZENAE-HZHRSRAPSA-N 375.497 5.306 30 40 GKEB O=[N+]([O-])c1ccc(Cl)c(-c2ccc(/C=N/Nc3nc4ccccc4s3)o2)c1 4180198 CNYOJBMDNWFCRS-KEBDBYFISA-N 398.831 5.564 30 40 GKEB CCC[C@H]1S/C(=N/N=C/c2ccc(C)cc2C)N(Cc2ccc(F)cc2)C1=O 4888981 IRFCVDGQBCNITL-BVCNIUJDSA-N 397.519 5.077 30 40 GKEB Clc1ccc(-c2csc(N/N=C/c3ccccc3Cl)n2)cc1Cl 5234213 VBSDBXNHTMXXHM-DNTJNYDQSA-N 382.703 6.216 30 40 GKEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3cccn3-c3ccc(Cl)cc3)S2)cc1 5531893 JTBOJYLQZMIXQH-UYRXBGFRSA-N 393.899 5.331 30 40 GKEB Fc1ccccc1-c1n[nH]c(=S)n1/N=C/c1ccc(-c2ccccc2Cl)o1 6547435 WJRREYRQVPJVGN-SSDVNMTOSA-N 398.850 5.542 30 40 GKEB COc1cc(/C=N/c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 8113588 YXWRWNBGYBBCIU-ZMOGYAJESA-N 386.278 6.332 30 40 GKEB C=CCn1c(SCc2ccccc2Cl)nnc1[C@H](C)Oc1ccccc1 13850312 QJUFTMYREHAJPP-HNNXBMFYSA-N 385.920 5.550 30 40 GKEB O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1cccs1)n1c(nc3ccccc31)N2 18266716 SRGMCGJVUINXLM-MWTRTKDXSA-N 397.503 5.514 30 40 GKEB O=C(Nc1ccccc1SC(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F 97950365 HCGJTBMHDVMMCB-UHFFFAOYSA-N 389.214 5.070 30 40 GKEB CCCCCCCCCCCC1=C(O)C(=O)C=C(NCCc2ccccc2)C1=O 100393410 HJIKTVPEZAEHRZ-UHFFFAOYSA-N 397.559 5.587 30 40 GKEB biogenic,in-vitro CCCCCCCCCCCCCCCC(=O)Nc1cccc(C(F)(F)F)c1 100503808 APLTVRSEHVESIR-UHFFFAOYSA-N 399.541 8.125 30 40 GKEB Cc1c(CCC(C)C)/c(=N\c2ccc(F)cc2)n2c([nH]c3ccccc32)c1C#N 102594414 FXBMVSHYBWBJRF-SLEBQGDGSA-N 386.474 5.561 30 40 GKEB C(#Cc1c2ccccc2c(C#Cc2ccncc2)c2ccccc12)c1ccncc1 168201145 YRDFKGXHYKIWQV-UHFFFAOYSA-N 380.450 5.583 30 40 GKEB C=CCOC(=O)/C=C/c1ccc(OCc2cccc3ccccc23)c(Cl)c1 226334878 VTSUPTYSPUISLW-ACCUITESSA-N 378.855 5.815 30 40 GKEB Cc1ccc(NC(=O)COc2ccc(/C=N\c3cccc(Cl)c3)cc2)cc1 408803596 QWLDJFYOWKJRIY-OYKKKHCWSA-N 378.859 5.417 30 40 GKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(/C=N/c2ccccc2)cc1 3095294 UCTUBUUTCZLPGX-ZMOGYAJESA-N 386.329 6.157 30 40 GKEB C=CCn1c(SC/C=C/c2ccccc2)nnc1-c1ccc(C(C)(C)C)cc1 5296021 JKHPTBXFZXOFTR-FMIVXFBMSA-N 389.568 6.234 30 40 GKEB CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Oc3ccc(C#N)cc3)ccc21 6038062 IZCWAINUQHDTMY-MRXNPFEDSA-N 383.451 5.092 30 40 GKEB CCOc1cc(/C=N/c2ccc(OC)cc2)ccc1OCc1cccc(Cl)c1 6961415 XWNCECJDGPTENS-MFKUBSTISA-N 395.886 6.077 30 40 GKEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccco1)n1c(nc3ccccc31)N2 9110470 DJCDGSVNDVIMCJ-HJPURHCSSA-N 381.435 5.045 30 40 GKEB CC(C)(C)C1CCC(C(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)CC1 12823403 CDAHLXMBMPAYND-UHFFFAOYSA-N 394.515 5.133 30 40 GKEB CCc1ccc(/C=C2\Oc3cc(OC(=O)C4CCCCC4)ccc3C2=O)cc1 13653893 PGBUNMITQBAQFW-HMAPJEAMSA-N 376.452 5.351 30 40 GKEB N#Cc1c(NC(=O)c2cc3c(ccc4ccccc43)oc2=N)sc2c1CCCC2 17081705 TYHNMIFSORCGOT-UHFFFAOYSA-N 399.475 5.130 30 40 GKEB CCN(CC)CC/N=C(\O)C(Cl)=C1C(Cl)=C(Cl)C(Cl)=C1Cl 31702825 LPAJESSSQHVIDM-UHFFFAOYSA-N 392.541 5.170 30 40 GKEB CCCOc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1OCC 32109280 YGQDMJHSVMAIGC-CSKARUKUSA-N 389.289 5.533 30 40 GKEB Cc1cccc(/C=C/C(=O)c2c(-c3ccccc3)c3ccccc3n(C)c2=O)c1 95946325 FGVONEASXNSRSC-FOCLMDBBSA-N 379.459 5.410 30 40 GKEB COc1ccc(/C(CCCCCCC/C(=N/O)c2ccc(OC)cc2)=N\O)cc1 100709069 CNGMHIHKRSWRMO-HKOLQMFGSA-N 398.503 5.491 30 40 GKEB COc1cc(/N=C/c2ccccc2O)ccc1NC(=O)c1cc2ccccc2o1 102422516 WMCKRAPVOQGZLC-ZVHZXABRSA-N 386.407 5.150 30 40 GKEB CN(C)c1ccc(/N=C2/NC(=N/c3ccccc3)/C(=N\c3ccccc3)S2)cc1 103711377 ZVDZXGJOEJSOLX-YYDJUVGSSA-N 399.523 5.537 30 40 GKEB C=CCSc1ccccc1C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C 225168529 RHHJFUNDGYEGEN-UHFFFAOYSA-N 384.526 5.174 30 40 GKEB Cc1ccc(-n2c(C)cc(/C=N\c3ccc(Cl)c(C(=O)O)c3)c2C)cc1C 408740794 MMACRIWLXSIWHV-MSXFZWOLSA-N 380.875 5.813 30 40 GKEB O=C(Nc1ccccc1)c1c(/N=C\c2c[nH]c3ccccc23)sc2c1CCCC2 408852399 KGYMUXQNINDZMW-YSMPRRRNSA-N 399.519 6.111 30 40 GKEB O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1ccc(N2CCCCC2)cc1 408959650 COAURSDOESEQOZ-RGEXLXHISA-N 397.931 5.222 30 40 GKEB C=CCSc1nc2sc(CCC)c(C)c2c(=O)n1-c1ccc(C)c(C)c1 409111199 BGPKSNUGACYYKI-UHFFFAOYSA-N 384.570 5.603 30 40 GKEB Cc1cc(C#N)ccc1-c1nc(C(F)(F)c2ccc(Cl)c(Cl)c2)no1 545845393 UZWNDPLJBRVNJC-UHFFFAOYSA-N 380.181 5.364 30 40 GKEB Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)s1 718192 UWXHPTUWIKXTFX-JLCFBVMHSA-N 392.549 6.098 30 40 GKEB Cc1ccc(NC(=O)CSc2nc3c(C)ccc(C)c3cc2C#N)cc1C 1223961 HOHJYCSEJQDCKP-UHFFFAOYSA-N 375.497 5.071 30 40 GKEB C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC(Cc3ccccc3)CC2)c1 2309038 RDSRDRWWDVEJCO-UHFFFAOYSA-N 376.544 5.619 30 40 GKEB COc1ccc(/C=N\c2ccc(O)c(-c3nc4ccccc4s3)c2)cc1Cl 4414170 MJFWCOVVNCVQFG-FMCGGJTJSA-N 394.883 6.082 30 40 GKEB COc1ccc(/C(C)=N\Nc2nc(-c3ccccc3F)nc3ccccc23)cc1 5032680 VUEJJNYVIQGERX-DICXZTSXSA-N 386.430 5.281 30 40 GKEB C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccncc1 6908041 XZSWMRHBUCDQGX-UHFFFAOYSA-N 377.300 5.125 30 40 GKEB N#Cc1ccc(-c2ccccc2)nc1SCC(=O)Nc1ccccc1Cl 8783534 ZUJYCWGHZUDXFG-UHFFFAOYSA-N 379.872 5.004 30 40 GKEB O=C1/C(=C/c2ccc(Cl)cc2Cl)[C@@H](c2ccccc2)Oc2ccccc21 12339532 LXKBGZGYHRXSIO-OFFMQOAPSA-N 381.258 6.393 30 40 GKEB Brc1cc2c(cc1/N=C/c1ccc3c(c1)OCO3)Cc1ccccc1-2 18056151 JMWYUKICEHBDMA-FOKLQQMPSA-N 392.252 5.500 30 40 GKEB CCCCCCCCCCCNC(=S)N/N=C/c1ccc(C(C)C)cc1 100355474 NFGGYSDADRDLMN-HKOYGPOVSA-N 375.626 6.139 30 40 GKEB CC(C)COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)c(C#N)c1 225763112 RPIRYXGQEIZGPW-UHFFFAOYSA-N 394.490 5.573 30 40 GKEB COc1ccc(Oc2ccc(/N=C/c3cc([N+](=O)[O-])ccc3Cl)cc2)cc1 409104561 JTRMHPFEZUBFED-LPYMAVHISA-N 382.803 5.800 30 40 GKEB Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc(F)cc2)cc1Cl 409207825 ATFIPKLZLRZYGY-BRJLIKDPSA-N 388.269 6.771 30 40 GKEB COc1cc(C)c(/C=C/C(=O)/C=C/c2c(C)cc(OC)c(C)c2C)c(C)c1C 2105862 IQSMUGLYXYXCNO-WGDLNXRISA-N 378.512 5.850 30 40 GKEB biogenic Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/c2ccc(C)c(C)c2)cc1 3088609 WVPYUGUOZADPRU-OGLMXYFKSA-N 393.486 6.735 30 40 GKEB COc1ccc(-c2c(C#N)c(SCc3ccccc3)nc3c2CCCC3)cc1 4619414 DYYZUDDZOBZOEO-UHFFFAOYSA-N 386.520 5.800 30 40 GKEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccc(O)cc1)Nc1ccccc1N2 5092448 WWAVCBOISREDOL-AVRWGWEMSA-N 382.463 5.372 30 40 GKEB CC(C)c1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 5912700 SSIMOFOAFCFFJX-QGZVFWFLSA-N 380.557 6.146 30 40 GKEB CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(Br)c1OCC 6959578 IREPXQJYDCKVKW-CIAFOILYSA-N 376.294 5.614 30 40 GKEB CCCCCCCCCCCCCC(=O)Nc1c2c(nc3c1CCC3)CCCC2 8397405 BCWBDPOIAMHLRD-UHFFFAOYSA-N 398.635 7.089 30 40 GKEB Cc1ccc(/C(N=S(c2ccccc2)c2ccccc2)=N/c2ccccc2)cc1 17109367 DOSYZPWPZZNCRS-RQZHXJHFSA-N 394.543 6.993 30 40 GKEB C=CCN(C(=O)Cc1csc(COc2ccc(Cl)cc2)n1)c1ccccc1 58642340 MNOHWNWSWFESAH-UHFFFAOYSA-N 398.915 5.137 30 40 GKEB Clc1ccc(-c2csc(N/N=C/c3cccc(Br)c3)n2)cc1 59503445 OUJQVKWPCGUUKR-DJKKODMXSA-N 392.709 5.672 30 40 GKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3cccc(OCC)c3)c2C)cc1 100212103 RYXKREINSJBHQO-PCLIKHOPSA-N 390.483 5.420 30 40 GKEB C1=C/C(=N\C2CCCCC2)C=C2C1=N[C@]13CCCC[C@@H]1CC1=C(CCCC1)N23 100668400 SVPQRBCSONEAHF-LOUJSXQKSA-N 375.560 6.089 30 40 GKEB CCOc1ccc(/N=N\c2ccc(O)c(/C=N/c3cccc(C(=O)O)c3)c2)cc1 102035642 YAAXREKOHBXGHB-HVNIOBLQSA-N 389.411 5.655 30 40 GKEB CCCC[C@]12CC/C(=C(/O)c3ccccc3F)C(O)=C1C(=O)c1ccccc1O2 102979710 UWAGNZXVKTWZGB-DEZPSGRBSA-N 394.442 5.905 30 40 GKEB Cc1ccc(/N=C2\S/C(=C/c3ccccc3)C(=O)N2C2CCCCC2)cc1 408907594 BQDUABQZENWYGC-RERTVAKNSA-N 376.525 5.932 30 40 GKEB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCCS/C1=N\c1ccccc1 850573 LFRFBJYMAGGQOZ-FXBPSFAMSA-N 380.300 5.652 30 40 GKEB Cc1ccc(C(=O)O/N=C(\c2ccc(F)cc2)[C@@H]2C[C@@H]2c2ccc(C)cc2)cc1 5617849 FDJQKCHTNAWAAI-AGIZDPOVSA-N 387.454 5.807 30 40 GKEB Cc1cc(Oc2cc(C#N)c(C#N)cc2N2CCCCCC2)cc(C)c1Cl 16269439 MSFUULRYKMWHCB-UHFFFAOYSA-N 379.891 5.873 30 40 GKEB Cc1ccc(C(=O)/C=C\Nc2cc(Cl)ccc2C(=O)c2ccccc2)cc1 16291714 QMISOLKEWSAOEC-YPKPFQOOSA-N 375.855 5.688 30 40 GKEB O=C(/C=C1/Sc2ccccc2N1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 17201439 HGKRQOPIZBKJFX-HYARGMPZSA-N 388.448 5.431 30 40 GKEB Clc1ccccc1COc1ccc(/C=N/Nc2nc3ccccc3[nH]2)cc1 59417071 HQNPZIHQYCNPKN-YDZHTSKRSA-N 376.847 5.241 30 40 GKEB Cc1cccc(/N=C2\NC(=O)/C(=C/c3cc(C)n(-c4ccccc4)c3C)S2)c1 83309923 LJEDCRGSXFOWLW-STZFKDTASA-N 387.508 5.294 30 40 GKEB CCCCCCCCCCCCCC[N+](C)(CC(=O)O)Cc1ccccc1 104242231 DKXZDCZUCUSNGY-UHFFFAOYSA-O 376.605 6.419 30 40 GKEB O=C(O)c1ccccc1-c1ccc(/C=N/c2c(-c3ccco3)nc3ccccn23)o1 408721789 YNWTVLOCFAUYHF-ZVHZXABRSA-N 397.390 5.303 30 40 GKEB COc1ccccc1Oc1ccccc1N/C=C/C(=O)c1cccc2ccccc12 409179149 KKNVHXMNJUZOCR-ISLYRVAYSA-N 395.458 6.449 30 40 GKEB Cc1ccc(Cl)cc1/N=C\c1cccc(OCC(=O)Nc2ccccc2)c1 409213730 VBKUAGJTAHXPLS-OYKKKHCWSA-N 378.859 5.417 30 40 GKEB Cc1c(C)c(C)c(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(C)c1C 575243145 SYVAJEYDCVVCEK-UHFFFAOYSA-N 394.277 5.880 30 40 GKEB N#CCOc1ccc2c(=O)c(-c3ccccc3Cl)c(C(F)(F)F)oc2c1 1915086 QOUAEDBWRXPODP-UHFFFAOYSA-N 379.721 5.035 30 40 GKEB C=C1C(Cl)=C(c2ccc(C)cc2)Oc2ccccc2[C@H]1c1ccc(F)cc1 2373492 PFOBAAIARNFSDM-JOCHJYFZSA-N 376.858 6.822 30 40 GKEB N#Cc1cc(C(=O)C(F)(F)F)c(-c2ccccc2)nc1SCc1ccccc1 3174860 ALFTXLAHSZZNHW-UHFFFAOYSA-N 398.409 5.658 30 40 GKEB CCOc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1cccc(Cl)c1 4740369 OFHUNHYLXSHYJE-QOVDMSNSSA-N 382.891 5.492 30 40 GKEB ClC(/C=N/N1CCN(Cc2cccc3ccccc23)CC1)=C/c1ccccc1 13617479 UDYPPZIJZOYFEZ-KWCUAYMTSA-N 389.930 5.223 30 40 GKEB Cc1ccc(-n2nc(C)c3c2NC2=C(C(=O)CC(C)(C)C2)[C@H]3c2ccccn2)cc1 18199307 UESOHZFNLOWQFW-QHCPKHFHSA-N 398.510 5.085 30 40 GKEB C/C(=N\Nc1nc(Cl)c(Cl)cc1Cl)c1ccc(OC(F)F)cc1 25422998 RYWXRPQYEDRNMM-QPSGOUHRSA-N 380.609 5.479 30 40 GKEB C=CCN(C(=O)c1ccc2sc3nc4ccccc4nc3c2c1)c1ccccc1 33658671 WJADYFBTYVCVLH-UHFFFAOYSA-N 395.487 5.831 30 40 GKEB CCCCCCCCCCc1nc2c(o1)C[C@@H](C[C@@H](C)SCC)CC2=O 103007853 XPMUBDVPBVNGDZ-MSOLQXFVSA-N 379.610 6.635 30 40 GKEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)C#Cc1ccccc1 118914977 XROIWEWUVSAKIJ-ICQXFURSSA-N 390.567 5.093 30 40 GKEB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1CC/C2=N\N=C\c1ccc(F)cc1 245229440 XZWUGWAIVKGTRA-HECRVTJKSA-N 390.502 5.863 30 40 GKEB N#Cc1ccccc1COc1ccc(/C=C2\C(=O)Nc3ccccc32)cc1Cl 409111336 IDJQJQGWLITRNU-ODLFYWEKSA-N 386.838 5.283 30 40 GKEB COc1cccc(Oc2ccc(N/C=C/C(=O)c3cccc4ccccc34)cc2)c1 409181875 GEQZYRWIQCOWHQ-WUKNDPDISA-N 395.458 6.449 30 40 GKEB O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1cccs1)Nc1ccccc1N2 883422 DWQCXGIDZWLKIY-LRTDBIEQSA-N 378.522 5.789 30 40 GKEB Cc1cc(-c2csc(/N=C3\CCCCCN3)n2)c(C)n1Cc1ccccc1 2659786 TTZGNSRKWXOYHO-UHFFFAOYSA-N 378.545 5.470 30 40 GKEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc2ccccc12 2757986 XMLOYNXBDRUVBX-HSZRJFAPSA-N 389.495 5.151 30 40 GKEB CCCOc1ccccc1/C=C1\CC/C(=C\c2ccccc2OCCC)C1=O 4614246 QVWQOFSDUSHGBP-KSTNYAOJSA-N 376.496 6.094 30 40 GKEB COc1ccccc1Oc1ccc(N/C=C/C(=O)c2ccc(Cl)cc2)cc1 4663668 PSMYQHLUDTUDEI-CCEZHUSRSA-N 379.843 5.949 30 40 GKEB CCCC(=O)Nc1ccc(Cl)c(/N=C/c2cc(Cl)cc(Cl)c2O)c1 6263824 QCVPRHKIOGDIJT-ZVBGSRNCSA-N 385.678 5.842 30 40 GKEB N#Cc1ccc(-c2csc(NC(=O)c3cc(Cl)nc4ccccc34)n2)cc1 7735323 ALDGMVZBZYPVHV-UHFFFAOYSA-N 390.855 5.136 30 40 GKEB COc1ccccc1/C=C1\Oc2cc(OC/C=C/c3ccccc3)ccc2C1=O 13655907 RWMBNZATWATJRT-IRDHKZPBSA-N 384.431 5.404 30 40 GKEB N#Cc1ccccc1-c1ccc(Cn2cc(C(F)(F)F)cc(Cl)c2=O)cc1 22410043 PMCMHDHCNLCUAT-UHFFFAOYSA-N 388.776 5.107 30 40 GKEB CN(C)[C@@H](CNc1oc(-c2cccc3ccccc23)nc1C#N)c1cccs1 27793355 UDERINRHSXQZHP-IBGZPJMESA-N 388.496 5.143 30 40 GKEB N#CCc1ccc(NC(=O)[C@H]2CCCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)cc1 95465133 BWWGEWCVJYNQOR-MSOLQXFVSA-N 392.890 5.195 30 40 GKEB CCCCCCCCCNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 98001253 XFSSJWTVYUMDOP-UHFFFAOYSA-N 380.532 5.728 30 40 GKEB C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@@H](C[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@@]43C)N2C1 122614530 XRXKXXULHUCVCA-LAWTUVKMSA-N 395.631 5.863 30 40 GKEB CCc1ccccc1/N=C/c1cc(C)n(-c2ccc(Br)cc2)c1C 408774867 NNRKEZXRMFCZHP-OEAKJJBVSA-N 381.317 6.170 30 40 GKEB O=C(COc1ccc(/C=N\c2ccccc2Cl)cc1)Nc1ccccc1Cl 408807580 DEMGHEBTEMBOEI-CFRMEGHHSA-N 399.277 5.762 30 40 GKEB Cc1ccc(Sc2ccc(/C=N/c3ccc(Nc4ccccc4)cc3)cc2)cc1 409240009 JAGOAUJVDUNHMK-ZXVVBBHZSA-N 394.543 7.640 30 40 GKEB C=CCO[C@@H]1CC2(CCN(Cc3cccc(OC)c3)CC2)c2ccc(C)cc21 2055806685 VJPZIZFPXRZPMJ-XMMPIXPASA-N 377.528 5.185 30 40 GKEB CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@@H]2c1ccc(Cl)cc1)OCO3 816102 PWIFEWLCUISRPA-FQEVSTJZSA-N 381.859 5.269 30 40 GKEB Cc1ccc(C(=O)C(C(=O)/C=C/c2ccccc2)=C2SCCCS2)cc1 2049022 XITBDTBJAXNHOO-JLHYYAGUSA-N 380.534 5.542 30 40 GKEB Cc1cc([C@@H]2Sc3ccccc3NC3=C2C(=O)c2ccccc23)c(C)c(C)c1C 2444916 DQTHXMFGUFCFDV-SANMLTNESA-N 397.543 6.787 30 40 GKEB N#Cc1ccc(CSc2nnc(-c3ccc(F)cc3)n2-c2ccccc2)cc1 2663046 YAPYLKVAOHAWQD-UHFFFAOYSA-N 386.455 5.237 30 40 GKEB CCCCCCCc1ccc(-c2nnc(-c3ccc(OCCCC)cc3)o2)cc1 3022772 QPQSFHJNAVRBSK-UHFFFAOYSA-N 392.543 7.095 30 40 GKEB N#C[C@@H](c1cccc([N+](=O)[O-])c1)N1N=C(c2ccccc2)C[C@H]1c1ccccc1 4723603 TYZHIEMLQKJQDI-GOTSBHOMSA-N 382.423 5.011 30 40 GKEB N#Cc1ccccc1-c1ccccc1C(=O)NCCOc1ccc2ccccc2c1 8266546 JVSMOSSZOVVSDP-UHFFFAOYSA-N 392.458 5.187 30 40 GKEB CC1(C)C/C(=N\O)c2c(nc3c(c2-c2ccccc2)/C(=N/O)CC(C)(C)C3)C1 18142418 HLGBYHSWFDSHHO-RPCRKUJJSA-N 377.488 5.050 30 40 GKEB CCOc1ccc2nc(SCC(=O)c3ccc(Cl)cc3)c(C#N)cc2c1 35289109 DJJGBCIRCMBLDQ-UHFFFAOYSA-N 382.872 5.134 30 40 GKEB C[C@@H](C#N)OC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(F)cc1)CCC2 97656625 VLJTYITVMGWZEF-SUCHYCSPSA-N 386.426 5.320 30 40 GKEB CCOc1ccc(-c2nc(N/N=C3\C[C@H]4CC[C@@]3(C)C4(C)C)sc2C)cc1 100929632 YOKLJHCYODIKQE-PZNBMUFHSA-N 383.561 6.131 30 40 GKEB CCCCCCCCCC[C@@H](SCCCC)C(=O)c1cc(C)ccc1O 100931372 OVPFYYUKBGMDTI-JOCHJYFZSA-N 378.622 7.316 30 40 GKEB CC[C@@H]1CS/C(=N\c2cccc(OC)c2)N1Cc1ccc(Cl)cc1Cl 102887182 NTKJMGYXVPIHBW-BWORXHKJSA-N 395.355 6.017 30 40 GKEB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N\Nc3ccc(C(=O)O)cc3)cc21 208462402 KRQDANOGYOYCPQ-FMCGGJTJSA-N 383.879 5.116 30 40 GKEB C=CCOc1ccc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)cc1 408737119 KCVQERNKFMCDNA-LGUFXXKBSA-N 379.463 5.855 30 40 GKEB C=CCOc1c(Br)cc(/C=N/c2ccc(C)c(Cl)c2)cc1OC 409208970 BFXQDSWNESEIRL-SRZZPIQSSA-N 394.696 5.735 30 40 GKEB O=C(c1cccc(C(F)(F)F)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575242848 KSLYSTXRWJCPAT-UHFFFAOYSA-N 392.139 5.356 30 40 GKEB COc1cccc(-c2nc3cc(/N=C/c4cc(Cl)ccc4O)ccc3o2)c1 859626 ISQWMERJYVAWAZ-FSJBWODESA-N 378.815 5.613 30 40 GKEB CCCC[C@H]1S/C(=N\N=C\c2ccccc2)N(Cc2ccccc2C)C1=O 2325760 HIZMJNVAYKEKLE-NAZSODNNSA-N 379.529 5.019 30 40 GKEB Cc1sc(Nc2nc3ccccc3nc2N2CCC(C)CC2)c(C#N)c1C 2345605 DUEOMEQIWWTWDD-UHFFFAOYSA-N 377.517 5.160 30 40 GKEB Cc1ccc(/N=C/c2cc(Br)c(O)c(Br)c2)cc1C 3024832 NZONJNXZENSCOU-QGMBQPNBSA-N 383.083 5.285 30 40 GKEB N#Cc1c(Sc2ccccc2)nc(-c2ccccc2)nc1-c1ccc(Cl)cc1 3041118 IXFXJQQMGUNKHV-UHFFFAOYSA-N 399.906 6.487 30 40 GKEB CCCC[C@@H]1S/C(=N/N=C/c2ccc(C)cc2)N(Cc2ccccc2C)C1=O 4899354 XAXZJBPFFIGWMZ-PTHMFHIQSA-N 393.556 5.328 30 40 GKEB C/C(=N\NC(=S)Nc1ccc(C(C)C)cc1)c1ccc(-c2ccccc2)cc1 6307505 SWVVDOCOGXLNHY-NLRVBDNBSA-N 387.552 6.188 30 40 GKEB C=CCn1c(COc2ccc(CC)cc2)nnc1SCc1ccc(C)cc1 8201037 KKVZXJBVZIDZGT-UHFFFAOYSA-N 379.529 5.206 30 40 GKEB O=[N+]([O-])c1ccc(/C=C\c2ccccc2/C=N/Nc2ccccc2)c([N+](=O)[O-])c1 13403180 FLJIBYMNFLZBJD-WFUMQVDCSA-N 388.383 5.119 30 40 GKEB CCCCCCCC/C=C\CCCCCCCCNCCCNCCCN 82030978 ZXUXEWRICDHNKF-KTKRTIGZSA-N 381.693 5.942 30 40 GKEB COc1ccc(/C(CCCCCCC/C(=N\O)c2ccc(OC)cc2)=N/O)cc1 100709066 CNGMHIHKRSWRMO-BQASJOSNSA-N 398.503 5.491 30 40 GKEB CCN(CC)[P+](/N=N/c1ccc(N(C)C)cc1)(N(CC)CC)N(CC)CC 103541971 OQJVGJAMMCWEFG-QURGRASLSA-N 395.556 5.539 30 40 GKEB CCCCCCCCCCCCCCCCNC(=O)Nc1ccccc1OC 104358998 GNWSCZVFICFGJT-UHFFFAOYSA-N 390.612 7.298 30 40 GKEB CC(C)(C)c1ccc(/N=C\c2cccn2-c2ccc(Br)cc2)cc1 408848130 PWENLCBKRGWGLT-HAHDFKILSA-N 381.317 6.288 30 40 GKEB Cc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)cc1 409370095 KXZBRALPWQATLH-DHRITJCHSA-N 396.849 5.556 30 40 GKEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc4ccccc4c3)c2C)cc1 1091620 LPLWWJKASFUWPW-WGOQTCKBSA-N 382.463 5.785 30 40 GKEB CSC1=N/C(=N\c2c(C)cccc2C)C2(CCCC2)N1c1cccc(O)c1 2197181 GQEAQVYOCHGIPE-ATJXCDBQSA-N 379.529 5.591 30 40 GKEB CSc1nc(C)c(C(=O)Nc2ccccc2)c(-c2ccc(Cl)cc2)c1C#N 2312144 KAAZKAOQGSVEBH-UHFFFAOYSA-N 393.899 5.556 30 40 GKEB O=C(Oc1ccc(/C=N/c2ccc(Cl)cc2)cc1)c1cccc2ccccc12 3112644 LWKATLFPEFALTL-WGOQTCKBSA-N 385.850 6.463 30 40 GKEB Cc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(SC(C)C)n2)cc1 4321395 PYDCXROZLBYZLO-UHFFFAOYSA-N 378.928 6.750 30 40 GKEB C[C@H]1C/C(=C\c2ccccc2)c2nc3ccccc3c(C(=O)O[C@H](C)C#N)c2C1 4340753 JEXWBLFHMKTLOH-XSIYCUCZSA-N 382.463 5.427 30 40 GKEB Cc1ccc(/C(COc2ccc3c(-c4ccccc4)cc(=O)oc3c2)=N\O)cc1 4877697 WRLBBFUHVLGWIG-LVWGJNHUSA-N 385.419 5.026 30 40 GKEB biogenic Cc1ccc2oc(-c3ccc(/N=C\c4cc(Cl)cc(Cl)c4O)cc3)nc2c1 5547812 DHAPIENYWSEKJB-MYKKPKGFSA-N 397.261 6.566 30 40 GKEB CCCCOC(=O)CCCCCCC/C=C\[C@@H]1C=C[C@H](CCCC)C[C@@H]1C#N 5553992 WGKZWDKWFFLRAI-PMBYIKTASA-N 387.608 7.139 30 40 GKEB CCOc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1OCc1ccccc1F 6959930 HQWJRKGCRMBJSJ-VULFUBBASA-N 397.877 6.516 30 40 GKEB COc1ccc(Nc2oc(-c3ccc(COc4ccccc4)o3)nc2C#N)cc1 8614913 IRGBHIJAEIHSKH-UHFFFAOYSA-N 387.395 5.137 30 40 GKEB aggregator C[C@@H](Sc1nc2ccccc2o1)C(=O)Nc1sc2c(c1C#N)CCCCC2 12689886 HMZVYCMARCVULF-GFCCVEGCSA-N 397.525 5.149 30 40 GKEB N#Cc1cccc(/C=C(\Cl)c2nc3scc(-c4ccccc4)c3c(=O)[nH]2)c1 12804026 VLXVYXCUGHHEKF-YVLHZVERSA-N 389.867 5.260 30 40 GKEB O=C1CCCC2=C1[C@@H](c1ccco1)N(Cc1ccccc1F)c1ccccc1N2 15826346 RYGNOYMIFMAPTR-XMMPIXPASA-N 388.442 5.599 30 40 GKEB O=C(/C=C\c1ccc(C2CCCCC2)cc1)c1ccccc1OCc1ccccc1 33376649 SGDZFXQJVTWGTJ-JZJYNLBNSA-N 396.530 7.209 30 40 GKEB C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\c1ccc(F)cc1 33957383 XZWUGWAIVKGTRA-INCSKIAMSA-N 390.502 5.863 30 40 GKEB Cc1cc(N2CCCC2)c(F)cc1/C=N\c1ccc(Br)cc1C 106575045 GANBNJHDDLXEMP-UUYOSTAYSA-N 375.285 5.556 30 40 GKEB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1CC/C2=N\N=C\C=C\c1ccccc1 245227335 CNATZRJRPIOVRF-KJPRTNOASA-N 398.550 6.389 30 40 GKEB O=C(/C=C/c1ccccc1OCc1ccc(Cl)cc1Cl)c1ccccc1 408625016 WCCJHMUAOSNFIN-ACCUITESSA-N 383.274 6.469 30 40 GKEB C=CCc1cc(C(=O)Nc2ccc(Br)c(Cl)c2)ccc1OC 408703134 NMCPGHGPFGLGCH-UHFFFAOYSA-N 380.669 5.092 30 40 GKEB C=CCn1c(C)c(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2cc(C)ccc21 409037108 SLIBJKPZJUABME-MWYAZZEHSA-N 395.322 5.158 30 40 GKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CSc3ccccc3)c2C#N)C1 409109492 FYONHMOHCZMOTQ-CQSZACIVSA-N 384.570 5.502 30 40 GKEB C=CCOc1c(Br)cc(CNc2ccc(C)cc2)cc1OCC 409122278 XCWJPCMRFNOEKM-UHFFFAOYSA-N 376.294 5.333 30 40 GKEB O=C1/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)Cc2ccccc21 409371590 IJJCUPYLLHUDHG-XMHGGMMESA-N 383.878 6.165 30 40 GKEB CCOc1cc([C@H]2Nc3c(ccc4ccccc34)C3=C2C(=O)CCC3)ccc1O 795920 OVJACKOHZAOKAB-XMMPIXPASA-N 385.463 5.618 30 40 GKEB C[C@H]1CCc2c(sc(NC(=O)/C(=C/c3ccccc3)c3ccccc3)c2C#N)C1 1771081 FLASGAYKZUMCHQ-LBSLPOPVSA-N 398.531 5.924 30 40 GKEB Cc1cc(/C=N/N=c2/[nH]c3ccccc3s2)c(C)n1-c1ccc(Cl)cc1 1858057 FCNPMQHWCMAXPZ-WSDLNYQXSA-N 380.904 5.225 30 40 GKEB N#C/C(=N\Nc1ccccc1F)c1nc(-c2ccc(Cl)cc2Cl)cs1 4175398 QVQBNIOMQWPQQX-BUVRLJJBSA-N 391.258 5.596 30 40 GKEB Clc1ccc(/C=N/Nc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 4646457 XSJPJSDDBHODRT-BUVRLJJBSA-N 385.858 5.305 30 40 GKEB Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2)cc1 4663372 PKETZANZSOHIEC-FNZWTVRRSA-N 380.491 5.975 30 40 GKEB CC(C)n1cc(/C=N/Nc2ncnc3sc4c(c23)CCCC4)c2ccccc21 5516347 IJCIBPKIUXZGJJ-OPEKNORGSA-N 389.528 5.552 30 40 GKEB C=CCn1c(SCCCC(=O)c2ccc(F)cc2)nnc1C1CCCCC1 8071752 UPSCKBHSMIYXRE-UHFFFAOYSA-N 387.524 5.406 30 40 GKEB CC(C)=CCOc1ccc2c(c1)O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O 9486738 ZHASXNHTLPFRPD-UKWGHVSLSA-N 398.842 5.168 30 40 GKEB O=C1[C@@H](Cc2ccc(F)cc2)S/C(=N\c2ccccc2)N1c1ccccc1 13142722 UEYFPZXCVSZFMI-ZGKFLROHSA-N 376.456 5.205 30 40 GKEB CCCCCCCCCCCCCCCCCCCCC[C@H](O)CC(=O)O 85913247 DVDLWGAAEYKXSB-QHCPKHFHSA-N 384.645 7.644 30 40 GKEB biogenic,in-vitro CC(C)(C)c1ccc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 101470884 UEMFDAVUQGMCBA-UHFFFAOYSA-N 380.250 5.635 30 40 GKEB CO/N=C1/C=C2CC[C@H]3[C@@H]4C[C@H]5CCCC[C@@]5(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 118913475 CTVOPPAULYUILQ-GZKDOEDLSA-N 397.603 6.327 30 40 GKEB C=CCc1cc(C(=O)N[C@@H]2CC(CC)(CC)Oc3ccccc32)ccc1OC 224262722 HBVMEASIMOSVET-HXUWFJFHSA-N 379.500 5.236 30 40 GKEB CCOc1ccc(/C=N/c2cccc(Cl)c2C)cc1I 408905301 WUQVUXGJWZTSRS-VXLYETTFSA-N 399.659 5.402 30 40 GKEB O=C(Nc1ccccc1)c1c(/N=C/c2cccnc2)sc2c1CCCCCC2 408969009 FRXTUDWVHSAFLC-PCLIKHOPSA-N 389.524 5.805 30 40 GKEB C=CCOc1c(Br)cc(CNc2ccc(OCC)cc2)cc1OC 409110350 UZWIGHPAIMGYFL-UHFFFAOYSA-N 392.293 5.033 30 40 GKEB COc1cc(/C=N/c2ccc(C(C)C)cc2)ccc1OCc1ccc(C(=O)O)o1 409385414 LGTJWHMPPXPCPD-ZMOGYAJESA-N 393.439 5.439 30 40 GKEB Cc1cc2c(cc1C)N[C@H](c1cccc([N+](=O)[O-])c1)C1=C(CC(C)(C)CC1=O)N2 1438842 BXUVNJVUYJUPTC-JOCHJYFZSA-N 391.471 5.434 30 40 GKEB N#Cc1c(Cl)c(Cl)c2nnc(-c3c(Cl)cccc3Cl)n2c1Cl 3091011 OXYQGUBTLVFIQS-UHFFFAOYSA-N 392.460 5.535 30 40 GKEB CC(C)[C@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(O)C#Cc1ccccc1 4866071 YXGCKQSCISYXIL-LAJGZZDBSA-N 395.546 5.517 30 40 GKEB C[C@@H](Nc1oc(-c2ccc(COc3ccccc3)o2)nc1C#N)c1ccccc1 8654588 LGRVWJGSDAOWFU-MRXNPFEDSA-N 385.423 5.558 30 40 GKEB C[C@H]1CCc2c(sc(NC(=O)CCCSCc3ccccc3)c2C#N)C1 10616706 YHTWDXSSXIRTBP-HNNXBMFYSA-N 384.570 5.397 30 40 GKEB O=C1N/C(=N/c2ccccc2)S/C1=C\c1c2ccccc2cc2ccccc12 13635235 LMSIZDUBSBTGNW-JCMHNJIXSA-N 380.472 5.885 30 40 GKEB CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(Cl)cc2)n2c(nc3ccccc32)N1 20512731 PTWCLLFWLYIZJT-JOCHJYFZSA-N 399.881 5.862 30 40 GKEB CCCCCCCn1c([C@H]2CC(=O)N(c3cccc(C)c3)C2)nc2ccccc21 50860570 JASBJZUHPSCMIG-FQEVSTJZSA-N 389.543 5.836 30 40 GKEB Cc1ccc(Sc2[nH]c(-c3ccccc3)nc2/C=N/c2ccc(C)c(C)c2)cc1 100143797 JYYFHUAVQCGTHB-WGOQTCKBSA-N 397.547 6.904 30 40 GKEB CCCCCCCCOC(=O)C[N+](C)(C)CCO[C@H]1C[C@H]2CC[C@]1(C)C2(C)C 100724133 KTMOLWBNBDAXBS-DPLHUUCSSA-N 396.636 5.198 30 40 GKEB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(O)C#Cc1ccccc1 118915133 LZYLYVQWNIUJNH-ONMDTXNYSA-N 392.583 5.173 30 40 GKEB N#Cc1ccccc1CO/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12 408589737 FUQOAOSRZIZULA-MZJWZYIUSA-N 399.881 5.765 30 40 GKEB CC(C)COc1ccc(/C=C2\SC(=Nc3ccccc3Cl)NC2=O)cc1 408604121 SPLIVYAPRDUNGP-WQRHYEAKSA-N 386.904 5.266 30 40 GKEB COC(=O)c1cc(-c2ccc(/C=C/C(=O)c3ccc(C)cc3)o2)ccc1Cl 408691859 UTMBHCBGJVDTCP-DHZHZOJOSA-N 380.827 5.591 30 40 GKEB CCCCc1ccc(/N=C/c2cc(Br)c(N3CCCC3)o2)cc1 408857613 OUDXNSIMIUGKIQ-KGENOOAVSA-N 375.310 5.736 30 40 GKEB Cc1ccc(-n2c(C)cc(/C=N/c3ccc(N4CCOCC4)cc3)c2C)c(C)c1 408932391 WPDDIWAKVAEDLZ-YZSQISJMSA-N 387.527 5.298 30 40 GKEB Cc1cc(C(=O)O)ccc1/N=C/c1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C 408966601 MKXAQKVXSABRRI-CVKSISIWSA-N 388.511 6.149 30 40 GKEB COc1cc(/C=N\c2ccc(C)cc2C)ccc1OCc1ccc(C(=O)O)cc1 408967556 UCKGKOYVJCHWLR-QFEZKATASA-N 389.451 5.340 30 40 GKEB CCCCCCCCSc1nc2ccc(/N=C/c3ccccc3O)cc2s1 1573738 HBBKXEBKTZSHIP-XQNSMLJCSA-N 398.597 7.205 30 40 GKEB C=CCSc1ncnc2c1sc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 2297679 GTJRFBCEBJKWMB-UHFFFAOYSA-N 385.558 5.492 30 40 GKEB CCCCCCCCNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 2744988 IYHYXDMNTJEWAF-UHFFFAOYSA-N 394.946 6.646 30 40 GKEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc2ccccc12 2757985 XMLOYNXBDRUVBX-QHCPKHFHSA-N 389.495 5.151 30 40 GKEB CC1(C)CC2=NC3=C(C(=O)CC(C)(C)C3)[C@H](c3ccc(Cl)cc3)C2=C(O)C1 5013145 OGVHDJVOGWECJE-LJQANCHMSA-N 383.919 6.154 30 40 GKEB N#Cc1cccc(C(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)c1 6208583 RZFMONJYONAJRO-HXUWFJFHSA-N 399.881 5.255 30 40 GKEB C/C(=N\n1c(-c2cccc(Cl)c2)cs/c1=N\c1ccccc1)c1ccco1 6312688 SJIOVFUKVOJYDT-IILZJKCVSA-N 393.899 5.968 30 40 GKEB CC(C)c1ccc(/C=N/c2c(-c3ccc(C(C)C)cc3)nc3n2CCS3)cc1 12382919 VMOHFEPMFAMKRR-MFKUBSTISA-N 389.568 6.653 30 40 GKEB O/C(CCc1ncc(-c2ccc(Cl)cc2)o1)=N\c1ccc2ccccc2c1 14208031 GHFPJKAEUSDEJQ-UHFFFAOYSA-N 376.843 6.369 30 40 GKEB CN(C)[C@H](CNc1oc(-c2cccc3ccccc23)nc1C#N)c1ccccc1 27991210 CJUBMZMTPXBZHA-JOCHJYFZSA-N 382.467 5.081 30 40 GKEB Cn1ccnc1COc1ccc(C(=O)/C=C/c2c(Cl)cccc2Cl)cc1 59324434 DKKIAUNVCZCUBW-MDZDMXLPSA-N 387.266 5.202 30 40 GKEB CCCCCCCCCCCCCCCCCCNC1=CC(=O)CC(C)(C)C1 97949773 JQWRPHBAJWZYBD-UHFFFAOYSA-N 391.684 8.111 30 40 GKEB Cc1cc([N+](=O)[O-])cc(/C=N\c2ccc(-c3nc4ccccc4s3)cc2)c1O 100926135 UTSODLVWCAIESI-UUYOSTAYSA-N 389.436 5.636 30 40 GKEB COC(=O)c1ccc(C)c(/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c1 408752367 AEJHXVCRLHUEBN-ZMOGYAJESA-N 380.875 5.593 30 40 GKEB CC[C@H](C)Oc1c(Cl)cc(/C=N\c2cc(C(=O)O)ccc2C)cc1OC 409382473 MSUXFRNDSLXZSS-BTXKWLAHSA-N 375.852 5.283 30 40 GKEB Cc1cc([N+](=O)[O-])c(C)cc1-c1ccc(/C=C2/Sc3ccccc3C2=O)o1 809288 UFBJUBPYXAEIBH-RGVLZGJSSA-N 377.421 5.801 30 40 GKEB COc1cccc(/C=N/c2ccc3[nH]c(-c4ccc(Cl)cc4Cl)nc3c2)c1 2816603 QEHHPXIRYCLHNX-WYMPLXKRSA-N 396.277 6.296 30 40 GKEB CN1[C@H](c2ccccc2)CC(=NOC(=O)c2ccccc2)C[C@H]1c1ccccc1 4963746 XMEJIFOWMQOPDN-ZEQRLZLVSA-N 384.479 5.408 30 40 GKEB Cc1c(Cc2ccc(Cl)cc2)c(NC(C)C)n2c(nc3ccccc32)c1C#N 5248778 GUUDFRZXQPNAOY-UHFFFAOYSA-N 388.902 5.732 30 40 GKEB CN1/C(=C/C=C/C=C\C=C2C(=O)c3ccccc3C2=O)C(C)(C)c2ccccc21 5549417 MGZOKNHCACVLNG-IMPVHPJMSA-N 381.475 5.416 30 40 GKEB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(N2CCCCCC2)cc1 5687616 WZVQZUJKXKBICA-WUXMJOGZSA-N 384.863 5.525 30 40 GKEB COc1ccc(/N=C/c2c(OCc3cccc(F)c3)ccc3ccccc23)cc1 8116371 ZAXBBDPDVCZAQS-JVWAILMASA-N 385.438 6.317 30 40 GKEB O=C(/C(=N/N=C\c1cc(Cl)cc(Cl)c1O)c1ccccc1)c1ccccc1 25693215 YKJLNWKJYMGYQV-UUDJFVIOSA-N 397.261 5.405 30 40 GKEB CC(C)(C)c1cc(/C=N\N=c2\[nH]c3ccccc3s2)cc(C(C)(C)C)c1O 83261938 ZMGGMOYACNGKQH-QRVIBDJDSA-N 381.545 5.465 30 40 GKEB CCCCCCCCCCNC[C@@H](O)Cn1c2ccccc2c2ccccc21 97951638 KYYAPXZJZGMFBS-OAQYLSRUSA-N 380.576 5.886 30 40 GKEB Cc1cc2c(cc1/C=N/c1ccc(N3CCOCC3)cc1)[C@@H](C)CC(C)(C)N2C 198077018 LIDHNBAZUMMQPR-OJWZXOLNSA-N 391.559 5.304 30 40 GKEB N#CCOc1ccc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@@H]32)cc1 408736100 FHHBBHZHWIOMHO-UWVAXJGDSA-N 381.273 5.178 30 40 GKEB CCOc1cccc(/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c1 408738231 JJLOPXAOPSQFRZ-OEAKJJBVSA-N 397.316 6.006 30 40 GKEB Cc1cc(/C=N\c2ccc(N(C)C)cc2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408942715 LATFKCWXIAAJNT-CFRMEGHHSA-N 395.890 5.262 30 40 GKEB Fc1cccc(COc2ccccc2/C=N/Nc2ccc(C(F)(F)F)cn2)c1 409100691 WHDUNCVDHYKLAP-KBKYJPHKSA-N 389.352 5.265 30 40 GKEB Cc1[nH]c2ccccc2c1/C=N/c1ccc(/N=C/c2c(C)[nH]c3ccccc23)cc1 943141 NZPYYLPFEUETNP-DPCVLPDWSA-N 390.490 6.767 30 40 GKEB CC1=C(C(=O)c2ccccc2)[C@H](c2cccc(F)c2)n2c(nc3ccccc32)N1 1427850 OVBHDIVYNCLQEK-QFIPXVFZSA-N 383.426 5.347 30 40 GKEB CCCOc1ccccc1/C=C1\S/C(=N/c2cccc(Cl)c2C)NC1=O 4660120 WOJBJAWPDSSTMH-PDGQHHTCSA-N 386.904 5.329 30 40 GKEB CCCCCCOc1cc(CC#N)c(OCCCCCC)cc1Br 4664692 RQESUENQBJYKGI-UHFFFAOYSA-N 396.369 6.433 30 40 GKEB CCCCc1ccc(/N=C/c2c(C)c(C#N)c3nc4ccccc4n3c2O)cc1 4678134 FFFGJONPSFPKAE-CVKSISIWSA-N 382.467 5.466 30 40 GKEB COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1 6441299 ZWDNYGGNTDNCMO-NTUHNPAUSA-N 378.855 5.824 30 40 GKEB Cc1cc(/N=C/c2cc(F)c(N3CCCC3)cc2C)ccc1Br 6613138 GYTLVEHQPQIAJU-WSDLNYQXSA-N 375.285 5.556 30 40 GKEB CCCOc1c(Br)cc(/C=N/c2cc(Cl)ccc2C)cc1OC 6880610 DXSPDBCDPFQQAV-SRZZPIQSSA-N 396.712 5.959 30 40 GKEB CCOc1cc(/C=N/c2ccccc2C)ccc1OCc1cccc2ccccc12 6961502 YHMRJTKRXPLCGD-MTDXEUNCSA-N 395.502 6.877 30 40 GKEB Cc1cc(-c2cc(C(=O)Nc3ccc(C#N)cc3)c3c(C)noc3n2)c(C)s1 12781334 PVNDBMBBHSCXQY-UHFFFAOYSA-N 388.452 5.001 30 40 GKEB O[C@H]1c2cc(Cl)ccc2-c2c(/N=C/c3ccc4c(c3)OCO4)cc(Cl)cc21 18056141 OTSUYTRWZUVSMX-OXDFUUKTSA-N 398.245 5.535 30 40 GKEB CN1/C(=C\C(=O)CSc2cc(Cl)ccc2Cl)C(C)(C)c2ccccc21 32957374 UGQRQQKVDOZEHI-ODLFYWEKSA-N 392.351 5.966 30 40 GKEB Cc1nc(N)c(C#N)c(-c2ccc(OCc3ccccc3)cc2)c1-c1ccccc1 34953998 AGUOXAPAYVWFTI-UHFFFAOYSA-N 391.474 5.757 30 40 GKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1S[C@@H]2c1cc([N+](=O)[O-])ccc1F 39921293 HYVMWUZODZJCGC-HXUWFJFHSA-N 398.459 5.636 30 40 GKEB COc1ccc2c(c1)c(C(=O)N(C)c1cccc(C#N)c1)c(C)n2C1CCCC1 84026938 XMFGOQWAQOGWTD-UHFFFAOYSA-N 387.483 5.222 30 40 GKEB CCCCCCCCCCCCCCOc1ccc(C2=NC[C@@H](C)N2)c(O)c1 100934001 AYZLAIJRVSRSBJ-HXUWFJFHSA-N 388.596 6.210 30 40 GKEB CCOc1ccc2c(c1)C(=O)/C(=C\NCc1ccc(Cl)c(Cl)c1)S2 101537562 SAJLIVKYDCPKLA-LICLKQGHSA-N 380.296 5.312 30 40 GKEB O=C1NC(=Nc2ccccc2F)S/C1=C\c1ccc2[nH]c3ccccc3c2c1 408850449 NUXRFGHYGPGNNO-NDENLUEZSA-N 387.439 5.352 30 40 GKEB Cc1ccc(C(=O)Nc2scc(-c3ccc(Cl)cc3Cl)c2C#N)s1 1003161 HNXOGWNUZZUWTE-UHFFFAOYSA-N 393.320 6.216 30 40 GKEB CN(CCC(=O)/C(=C/c1ccc(Cl)cc1)c1ccccc1)Cc1ccccc1 1569712 VMCRRXOQEAHYJD-HKOYGPOVSA-N 389.926 5.972 30 40 GKEB N#Cc1sc2nc(C34CC5CC(CC(C5)C3)C4)cc(C(F)(F)F)c2c1N 4620156 OOMBYDNWGVMELR-UHFFFAOYSA-N 377.435 5.237 30 40 GKEB Clc1cc(Cl)c(N/N=C/c2ccc(N3CCCCC3)s2)c(Cl)c1 8150745 GNMWLJNWSWNPLD-KEBDBYFISA-N 388.751 6.145 30 40 GKEB CC(=O)O/N=C(\C)CC/C=C(/C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)CCC[C@@]12C 9886066 NQRNQFVQINDGPA-BWPWHQNLSA-N 387.608 7.231 30 40 GKEB COc1ccc([C@H]2C[C@@H]2/C(C)=N/Oc2ncc(C(F)(F)F)cc2Cl)cc1 12351049 NQYRSCSHZVNIEC-BAMVQPFASA-N 384.785 5.321 30 40 GKEB C=C1C[C@@]2(C)[C@@H](CC[C@H]2OC(C)=O)[C@@H]2CC[C@H]3C[C@@H](OC(C)=O)CC[C@]3(C)[C@@H]12 25544243 ACOZANUSWBYJDV-FFSLYTIQSA-N 388.548 5.059 30 40 GKEB CCc1ccc(C(=O)C[C@H](C(C(=O)c2ccc(CC)cc2)=C(C)C)C(C)C)cc1 39436319 TXUGZJORHPHIEA-DEOSSOPVSA-N 390.567 6.876 30 40 GKEB CC/C(C)=N\Nc1nc2cc(C)c(NC(=O)c3ccccc3F)c(C)c2s1 72228594 CLRGWJAMWSDXMC-MSXFZWOLSA-N 384.480 5.502 30 40 GKEB COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 78062104 WDIPFMUQXPGENA-RYVXGLMXSA-N 386.576 5.724 30 40 GKEB biogenic O=C1/C(=C\C=C\c2ccccc2)S/C(=N/c2ccccc2)N1C1CCCCC1 97020886 QHCZRSGURVBKRT-VXBDJUPTSA-N 388.536 6.180 30 40 GKEB CCOc1cccc(/C=C/C(=O)c2c(C)nc3ccccc3c2-c2ccccc2)c1 97165211 JGYFMXVVUOJULX-WUKNDPDISA-N 393.486 6.505 30 40 GKEB N#CC(/N=N/c1ccc(C(F)(F)F)cc1)=N\Nc1ccc(C(F)(F)F)cc1 100328755 IAXHFRVHDQLUHE-KLNRJUIRSA-N 385.271 5.757 30 40 GKEB C/C(=N/Nc1nc(-c2ccccc2)c2ccccc2n1)c1nc2ccccc2n1C 102771570 HKZVAMOHVUMRQY-NTFVMDSBSA-N 392.466 5.020 30 40 GKEB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118912998 GWOSBUGZGFVDDS-OCVQCAINSA-N 398.631 6.776 30 40 GKEB COC(=O)c1ccc(-n2c(C)cc(/C=N\c3ccc(N(C)C)cc3)c2C)c(C)c1 408932068 SRRPPASVQWXHIV-MYYYXRDXSA-N 389.499 5.006 30 40 GKEB Oc1ccc(/N=C/c2c(O)ccc3ccccc23)cc1-c1nc2ccccc2s1 1782933 RJMOCCPFIMOART-AFUMVMLFSA-N 396.471 6.278 30 40 GKEB Cc1ccccc1/N=C/c1c(OC(=O)c2ccc(Cl)cc2)ccc2ccccc12 3168204 ZMZFTDULCBLNEN-JVWAILMASA-N 399.877 6.771 30 40 GKEB CCc1cccc(CC)c1NC(=O)CSc1nc2c(C)cccc2cc1C#N 4849027 SKWAULAIMGIIHG-UHFFFAOYSA-N 389.524 5.271 30 40 GKEB CCCC[C@H]1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2ccccc2)C1=O 4889304 QLLCMZWNKQTBTK-LSIOVLHASA-N 393.556 5.328 30 40 GKEB CC(C)(C)[C@H]1N(C#Cc2ccccc2)C(c2ccccc2)=NN1c1ccccc1 5379759 AOAYNIJFIGETMV-VWLOTQADSA-N 379.507 5.552 30 40 GKEB C=C(C)CNC(=S)N(/N=C/C1=C(Cl)CCCCC1)c1ccc(C)cc1 5543954 LIZDOQOSOSQBRC-OEAKJJBVSA-N 375.969 5.695 30 40 GKEB C=CCOc1ccccc1/C=C1/SC(Nc2ccc3ccccc3c2)=NC1=O 6856122 QYMWGJWBZJUTLR-RCCKNPSSSA-N 386.476 5.487 30 40 GKEB COc1ccc(/N=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1 8116566 OBZUCFZLHUGJKN-ZMOGYAJESA-N 386.278 6.332 30 40 GKEB CCCOc1ccc2ccccc2c1/C=N/NCc1c(Cl)cccc1Cl 9196115 GHIAUFLKRLRKAI-ZMOGYAJESA-N 387.310 6.059 30 40 GKEB CC(=O)N(c1cccc(Cl)c1)c1nc(/C=C/C(=O)c2ccc(C)cc2)cs1 15187866 BSFGUOYNHUDPMV-ZHACJKMWSA-N 396.899 5.686 30 40 GKEB C=CCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)S/C1=N\c1ccccc1 59426404 FTVONIAQVXWWKL-AVJLYGTLSA-N 389.307 5.783 30 40 GKEB CCCCCCCCCCSc1nc(-c2ccc(OC)c(OC)c2)n[nH]1 97954100 UXMVGSMPLBOWQH-UHFFFAOYSA-N 377.554 5.722 30 40 GKEB CCCC(C)(C)[C@@H]1C[C@@H](C)CC/C1=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 101673112 VYVCOPUKBOFTDG-CTKJFBEOSA-N 376.457 5.533 30 40 GKEB O=C1C(=O)N(c2ccccc2)[C@@H](c2ccc(F)cc2)/C1=C(O)/C=C/c1ccccc1 102889076 CKWXBRIQICOTIP-VCLBYKBQSA-N 399.421 5.008 30 40 GKEB CCc1cccc(C)c1-n1c(C)cc(/C=N/c2cc(Cl)ccc2OC)c1C 197847933 YBQMPLKQAGCSAN-AFUMVMLFSA-N 380.919 6.378 30 40 GKEB CCN1C(=O)/C(=C\c2ccc(OC(C)C)cc2)S/C1=N\c1cc(C)ccc1C 408906439 JKNPFSYUMGCCBK-NFEGURHZSA-N 394.540 5.715 30 40 GKEB Cc1ccc(N=C2NC(=O)/C(=C\c3cccn3-c3cccc(C)c3C)S2)cc1 408965354 KOUNBKPIZHZUEP-KGENOOAVSA-N 387.508 5.294 30 40 GKEB C=CCc1cc(CNc2ccccc2C)cc(OC)c1OCc1ccccc1F 409117699 QASDIEMLXLMKLJ-UHFFFAOYSA-N 391.486 6.062 30 40 GKEB COc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)cc1 409200626 IZZULSJBPMWSDK-AFUMVMLFSA-N 379.887 6.295 30 40 GKEB N#CC(C#N)[C@@H](CC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl 984248 UQKUMXHJHSSGAI-MRXNPFEDSA-N 377.658 5.667 30 40 GKEB COc1ccccc1-n1c(SCc2ccc(C#N)cc2)nnc1-c1ccccc1 1223806 KLNSFVNMHYGATQ-UHFFFAOYSA-N 398.491 5.107 30 40 GKEB CCCCCCCCCCCc1n(Cc2ccccc2)c2ccccc2[n+]1C 1683098 MRTREVUAWQZTEV-UHFFFAOYSA-N 377.596 6.587 30 40 GKEB CCCCCCCCCCCCN1C(=O)c2ccc(Br)cc2C1=O 3188536 AKNYABPTAIYLMI-UHFFFAOYSA-N 394.353 5.966 30 40 GKEB O=[N+]([O-])c1ccc(-c2ccc(/C=N/NCc3c(Cl)cccc3Cl)o2)cc1 9195537 CRJQWBRZRSDUIH-UFFVCSGVSA-N 390.226 5.285 30 40 GKEB c1ccc(/N=C2\S[C@@H](c3ccccc3)CN2C23CC4CC(CC(C4)C2)C3)cc1 18089066 KHYPIIHHYPGAMH-JQXYUCDVSA-N 388.580 6.433 30 40 GKEB FC(F)(F)c1ccccc1N/N=C1/C[C@H](c2ccccc2)Oc2ccccc21 33958810 JSDZJJJXTWEHDH-OSWZSTQVSA-N 382.385 6.045 30 40 GKEB Cc1ccc(-n2c(-c3ccc(Br)cc3)cnc2SCC#N)cc1 44085558 GNTZZXQPZOZNTH-UHFFFAOYSA-N 384.302 5.226 30 40 GKEB CCc1cccc(C)c1-n1c(C)cc(/C=N\c2ccc(C)c([N+](=O)[O-])c2)c1C 59104922 KUTYFTWQUFXUBF-OYKKKHCWSA-N 375.472 5.932 30 40 GKEB O=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1ccc(Cl)c(Cl)c1 71977069 VUAYEZIUJQKMBX-MDWZMJQESA-N 383.274 6.469 30 40 GKEB N#Cc1cccnc1Oc1ccccc1NCc1cc2ccccc2nc1Cl 84594816 BNEMSLYOYZTDKP-UHFFFAOYSA-N 386.842 5.559 30 40 GKEB Cc1ccc(-c2nc(/N=C/c3cccc(Cl)c3)sc2-c2ccccc2)cc1 408723636 YOXLYQAIRVAAKY-MFKUBSTISA-N 388.923 7.190 30 40 GKEB COc1ccc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc1Cl 408771215 DYIKAOQOUARGJP-CXUHLZMHSA-N 393.295 5.202 30 40 GKEB C=CCN1C(=O)S/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)C1=O 409074501 MGNCUKXIXFXITR-UDWIEESQSA-N 392.455 5.051 30 40 GKEB COc1cc(/C=N/c2cccc(C)c2C)ccc1OCc1ccc(Cl)cc1 409209906 JSIYTZBPHITGCN-AFUMVMLFSA-N 379.887 6.295 30 40 GKEB CC[C@H](C)c1ccc(/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1 409249528 JMPGOTFUYGUDLT-JTOGBTRBSA-N 384.498 7.093 30 40 GKEB CC(C)Cc1ccc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 575242624 BLKFUWXGUBZVHW-UHFFFAOYSA-N 380.250 5.536 30 40 GKEB Cc1ccc2nc(SCC(=O)Nc3c(C)ccc4ccccc34)c(C#N)cc2c1 976912 DVCZGOOCMSYCSJ-UHFFFAOYSA-N 397.503 5.607 30 40 GKEB Fc1ccccc1/N=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 3239960 OHDYQXRAPWMQIN-CVKSISIWSA-N 381.410 6.175 30 40 GKEB CC(C)CCOc1ccc(/C=N/N=C(/C(=O)c2ccccc2)c2ccccc2)cc1 3374954 VCRSQOZFNAGGTQ-HWZRWFQHSA-N 398.506 5.818 30 40 GKEB O=C1/C(=C/c2ccccc2)CC[C@]12C[C@H]1CCCC[C@]1(O)O[C@@H]2c1ccccc1 4023611 NKLXMIJMKFCEFM-CFQKGTOKSA-N 388.507 5.460 30 40 GKEB C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C/C(=C/c1ccc(Cl)cc1)C2=O 4061144 WCHUABIOEGJTRD-RNZJQPOUSA-N 392.926 6.164 30 40 GKEB Fc1ccc(/C=N/c2ccc(C3c4ccccc4Oc4ccccc43)cc2)cc1 4772879 ULCDSMYUHZIZEE-OGLMXYFKSA-N 379.434 6.862 30 40 GKEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(C)cc2)C[C@H]1c1c(F)cccc1Cl 4919996 BDBNDHWIWLHYRZ-HRAATJIYSA-N 386.850 5.107 30 40 GKEB Cc1[nH]c(=S)c(C#N)c2c1[C@]1(C)CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C2 5259345 FTBSKEZGWHIGHJ-CCIVLXNRSA-N 394.584 5.262 30 40 GKEB C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)[C@H](CC)c1ccccc1 5484251 GWXNVIAESRWXJF-LJQANCHMSA-N 395.890 5.098 30 40 GKEB COc1ccc(N/C(=N/c2ccc([N+](=O)[O-])cc2)c2cccc3ccccc23)cc1 5586461 AFVWBKIZHNHQCR-UHFFFAOYSA-N 397.434 5.947 30 40 GKEB C/C(=N\N1C(=O)c2ccccc2N[C@@H]1c1cccc(Cl)c1)c1ccccc1O 5975556 FSGZUKVYUMFMOF-NFCNUSAFSA-N 391.858 5.036 30 40 GKEB CCCN(CCC)Cc1c(O)ccc2c1O/C(=C\c1c[nH]c3ccccc13)C2=O 20648695 LTCZIJNKNFYTOJ-XKZIYDEJSA-N 390.483 5.112 30 40 GKEB C=CCSc1ncc(-c2ccc(OC)cc2)n1-c1cccc(C(F)(F)F)c1 44087716 ZJCFSIYFFWCDNR-UHFFFAOYSA-N 390.430 5.845 30 40 GKEB CC1(C)C=C([C@H](c2cccc([N+](=O)[O-])c2)N2CCCCC2)C(=O)c2ccccc21 90646803 XECQFPXFFZRZDV-QFIPXVFZSA-N 390.483 5.222 30 40 GKEB CCOC(=O)c1ccc(/N=C/c2ccc(N3Cc4cc(C)c(C)cc4C3)cc2)cc1 100216199 OIXFQOBACQXRBO-JFLMPSFJSA-N 398.506 5.751 30 40 GKEB Oc1ccccc1/C=N/[C@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1 103547541 NUGMMURPTOZEGE-FTJHDQQKSA-N 393.486 5.489 30 40 GKEB CCC(C)(C)[C@H]1CCC(=O)/C(=C/Nc2ccc(Oc3ccccc3OC)cc2)C1 408563550 NFDQEJNOGMQBDH-QZZNQRLBSA-N 393.527 6.589 30 40 GKEB COc1ccc(Oc2ccc(/N=C\c3ccc(N4CCCCC4)cc3)cc2)cc1 408851808 AAXOTQNBCAOUCN-XHPQRKPJSA-N 386.495 6.228 30 40 GKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N\c2cccc(C(=O)OC)c2)cc1OC 409387853 SEQUQPCNEVQYJN-IKTNTUJMSA-N 375.852 5.063 30 40 GKEB C[C@@H]1CC2=CCCC(C)(C)[C@H]2C[C@@H]1/C=N/Nc1nnc2c(n1)[nH]c1ccccc12 1004857 ZJMNWWOSWJJSTK-MMQHEBMJSA-N 388.519 5.313 30 40 GKEB biogenic CCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1C)C2=O 2062751 RIJFGXXSMNPISE-UHFFFAOYSA-N 393.483 5.313 30 40 GKEB Cc1ccc2nc(/N=C/c3cn(-c4ccccc4)nc3-c3ccccc3)sc2c1 2208329 ZYZWDUUUTWFRTP-MFKUBSTISA-N 394.503 6.208 30 40 GKEB C=CCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(C)cc4)=NN32)cc1 4281982 RMEPKQWWVDQZPC-AZGAKELHSA-N 396.490 5.802 30 40 GKEB N#Cc1c(Nc2ccccc2)sc(C(=O)C23CC4CC(CC(C4)C2)C3)c1N 4543789 FPNYJDRMIDQJQE-UHFFFAOYSA-N 377.513 5.345 30 40 GKEB N#Cc1cc(C#N)c(C23CC4CC(CC(C4)C2)C3)nc1C12CC3CC(CC(C3)C1)C2 4661758 GWAOGKGAMCVPNW-UHFFFAOYSA-N 397.566 5.761 30 40 GKEB Cc1cccc(C(=O)/C=C/Sc2c(Cl)c(Cl)nc(Cl)c2Cl)c1 6924199 UNFREHSLINKHMR-AATRIKPKSA-N 393.122 6.492 30 40 GKEB CCOc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1OCc1ccccc1 6959900 LMSJOPWHFOTUMS-MFKUBSTISA-N 379.887 6.377 30 40 GKEB Clc1ccc(CN/N=C/c2ccccc2OCc2cccc(Cl)c2)cc1 10118683 NDWHEBJVSXSDHQ-AFUMVMLFSA-N 385.294 5.696 30 40 GKEB C(=N\Nc1nnc(N/N=C/C2CCCCC2)c2ccccc12)\C1CCCCC1 17418703 DEIUFPGNYMZUAV-REPVBDINSA-N 378.524 5.586 30 40 GKEB CCNC(=O)/C=C\CCC#Cc1ccc(-c2ccc(-c3cccs3)s2)s1 31852113 MJQKFFOBZMKGQM-POHAHGRESA-N 397.590 6.029 30 40 GKEB Fc1ccc(/C=N/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1 59483119 JJAIOIYDOIGDOW-AFUMVMLFSA-N 375.834 6.082 30 40 GKEB CC(C)(C)/N=C1\[C@@H](N2CCCCC2)C2(CCCCC2)C(=S)N1c1ccccc1 71405900 SIMQAUWXKXXKMB-YXQDFNCHSA-N 397.632 5.836 30 40 GKEB CCn1ccc(/C=C2\C[C@@H]3[C@H]4CC[C@@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)n1 98087402 ILNJYEIJHGACFY-GCPVRLOQSA-N 380.576 5.898 30 40 GKEB CCCCCCCCOc1c(Br)cc(CO)cc1Br 105981319 ACROBCKFXYAOLR-UHFFFAOYSA-N 394.147 5.443 30 40 GKEB C=CCOc1ccc(NC(=O)C(C)(C)Cc2ccc(Cl)cc2)c2ccccc12 225943496 LWQMEVGPASPCHD-UHFFFAOYSA-N 393.914 6.265 30 40 GKEB CC(C)c1ccc(/C=C2\SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1 408772292 NSXTZNSAIKJOBP-YBEGLDIGSA-N 391.323 6.008 30 40 GKEB N#Cc1ccccc1COc1ccccc1/C=C1\Sc2ccccc2NC1=O 409088890 MCQOHYHXVZLDBW-XKZIYDEJSA-N 384.460 5.223 30 40 GKEB Cc1ccc(-c2ccc(/C=N/c3ccc(F)c(Cl)c3)o2)c(Br)c1 409243838 UYXKSKVFKBIRCQ-LSHDLFTRSA-N 392.655 6.561 30 40 GKEB C=C1CC[C@H](O)C/C1=C/C=C1/CCC[C@]2(C)[C@@H]1CC[C@@H]2[C@@H](C)/C=C/[C@H](C)C(C)C 503915934 MECHNRXZTMCUDQ-MMIIJUDKSA-N 396.659 7.641 30 40 GKEB CC(=O)Nc1ccc(/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc1 680932 CYUIGZQXTLLILM-ZVHZXABRSA-N 378.859 5.628 30 40 GKEB COc1ccc(/C=N/c2ccc3oc(-c4ccc(C)cc4)nc3c2)cc1Cl 1424032 RXBBQMYKZZHXEZ-ZMOGYAJESA-N 376.843 6.216 30 40 GKEB CC(C)c1ccc(C[C@@H](C)C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1 2299253 TZUMUGLNHNZAKZ-MRXNPFEDSA-N 378.512 5.649 30 40 GKEB C#CCOc1ccc(-c2nnc(Nc3ccc(OC)cc3)c3ccccc23)cc1 2375846 IFFQRMIEWZKVCM-UHFFFAOYSA-N 381.435 5.061 30 40 GKEB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1C[C@H]1[C@@H]3CCCCC3=CC(=O)[C@@H]12 4887105 CWLSXLGVSRANSC-WWJIMDIASA-N 392.583 6.060 30 40 GKEB O=C1/C(=C\c2cccc3ccccc23)CCCC/C1=C\c1cccc2ccccc12 18087521 KGAYCWQUIINRDE-GAHATOAQSA-N 388.510 7.603 30 40 GKEB CC(C)CN(Cc1c(O)ccc2c1O/C(=C\c1ccccc1F)C2=O)CC(C)C 20663782 HKXORXUAKBKVTL-JJFYIABZSA-N 397.490 5.262 30 40 GKEB O=C(Nc1ccc(/N=C/c2cc(Cl)ccc2O)cc1Cl)c1ccco1 102417318 USJXYWRTFHSORP-UFFVCSGVSA-N 375.211 5.295 30 40 GKEB CCCCCCCCCCCCCCCCSC(=S)N1CCCCC1 104351191 LFIVRXSUJMJQTD-UHFFFAOYSA-N 385.727 7.972 30 40 GKEB C=CCOC(=O)c1ccc(OCc2cccc(Br)c2)c(Cl)c1 226326058 JMPQOQWOKJQEHC-UHFFFAOYSA-N 381.653 5.024 30 40 GKEB Cc1ccc(-c2ccc(/C=C/C(=O)n3cc(C#N)c4ccccc43)o2)c([N+](=O)[O-])c1 226362355 CYXCPHLBNSSZBV-DHZHZOJOSA-N 397.390 5.343 30 40 GKEB Cc1ccccc1/N=C\c1cc(C)n(-c2sc3c(c2C(=O)O)CCCC3)c1C 409386063 NYZFHOWNWBUMPF-CFRMEGHHSA-N 392.524 5.792 30 40 GKEB CCOC(=O)CSc1nc(-c2ccc(C)cc2)cc(-c2ccccc2)c1C#N 2063999 DCMCVIAOZNORSR-UHFFFAOYSA-N 388.492 5.251 30 40 GKEB C=CCOc1cccc([C@H](Nc2ccccn2)c2ccc3cccnc3c2O)c1 2470426 KIEUZMGIGVLZNF-QFIPXVFZSA-N 383.451 5.102 30 40 GKEB Cc1ccc(OCc2occc2C(=O)Nc2sc3c(c2C#N)CCCC3)cc1 5059620 MBUIZALHAHXNNE-UHFFFAOYSA-N 392.480 5.231 30 40 GKEB Cn1c(-c2ccccc2)c(/C=N/c2sc3c(c2C#N)CCCC3)c2ccccc21 6898458 RDFUYBRIWNCGBU-JVWAILMASA-N 395.531 6.408 30 40 GKEB Cc1cccc(OCc2ccc(-c3nc(C#N)c(NCCc4ccccc4)o3)o2)c1 8844539 BVHQGESFEUBUAU-UHFFFAOYSA-N 399.450 5.348 30 40 GKEB C=CCn1c(COc2ccc(CC)cc2)nnc1SCc1ccc(Cl)cc1 13842309 VGSXZJDSQPFBCR-UHFFFAOYSA-N 399.947 5.551 30 40 GKEB CC(/C=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1)=C\c1ccccc1 30750401 CUYZFUYCEZRIGY-YYOSOVAVSA-N 393.534 5.463 30 40 GKEB N=C1S/C(=C\c2c3ccccc3cc3ccccc23)C(=O)[C@@H]1c1nccs1 33778972 XOZXQVPQVBCLGZ-GYDHSEMCSA-N 386.501 5.867 30 40 GKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1S[C@H]2c1cc([N+](=O)[O-])ccc1F 39921292 HYVMWUZODZJCGC-FQEVSTJZSA-N 398.459 5.636 30 40 GKEB COc1cccc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)c1 83295109 LBPJJSKSSFWZCO-BLOQEJBCSA-N 392.524 5.632 30 40 GKEB COc1ccc(-c2coc3cc(OCCCC(C)(C)C#N)ccc3c2=O)cc1 95457392 FBYGWMVPTBNPEV-UHFFFAOYSA-N 377.440 5.177 30 40 GKEB O=C1C(c2ccc(C(F)(F)F)cc2)=C(Nc2ccc(F)cc2)c2ccccc21 101091680 XSSVJPWIOJAUSO-UHFFFAOYSA-N 383.344 6.021 30 40 GKEB Cc1ccc(/C(N=S(c2ccccc2)c2ccccc2)=N\c2ccccc2)cc1 104204330 DOSYZPWPZZNCRS-CYYJNZCTSA-N 394.543 6.993 30 40 GKEB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C/C(=O)n2cc(C#N)c3ccccc32)o1 226362424 WSAZRUAOIBFKNP-DHZHZOJOSA-N 397.390 5.343 30 40 GKEB Clc1ccc(Cn2cc(/C=N/Nc3ccccc3)c3ccccc32)c(Cl)c1 408818260 ZVFQOOZEDWQYHL-DHRITJCHSA-N 394.305 6.442 30 40 GKEB C=CCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(CCC)C2=O)cc1 408907878 PTXSEHYXKIRTNT-SUJVXMJXSA-N 378.497 5.265 30 40 GKEB CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccc(N(CC)CC)cc2)cc1OC 409376146 VCAFBKBKOYOVNL-WTJYETQFSA-N 388.939 6.123 30 40 GKEB CSc1cc(-c2ccccc2)n(Cc2ccc(C(C)(C)C)cc2)c(=O)c1C#N 3105317 YCKWESGPRCBDSS-UHFFFAOYSA-N 388.536 5.455 30 40 GKEB Cc1cc2c(cc1C)N[C@H](c1ccc(Br)cc1)C1=C(CCCC1=O)N2 4051985 KHIMHQJIJWYOSX-OAQYLSRUSA-N 397.316 5.652 30 40 GKEB CCc1cc2ccccc2nc1SCC(=O)Nc1sc(C)c(C)c1C#N 4849234 YQEPGWSFIJUNJG-UHFFFAOYSA-N 381.526 5.078 30 40 GKEB Oc1ccc(Br)cc1/C=N/Nc1cc(C(F)(F)F)ccc1Cl 6982521 UTVDLEJBEBTKKJ-IFRROFPPSA-N 393.590 5.273 30 40 GKEB Cc1ccccc1Cn1cc(/C=N/Nc2nc3ccccc3n2C)c2ccccc21 7343405 QGXROPIFHBNJTB-CVKSISIWSA-N 393.494 5.331 30 40 GKEB O=C1N/C(=N\c2cc(Cl)cc(Cl)c2)S/C1=C\c1c[nH]c2ccccc12 16946582 YPGKAUICNLTEKA-BNCCVWRVSA-N 388.279 5.366 30 40 GKEB Cc1c(C(=O)/C=C\c2cccs2)c(C)c([N+](=O)[O-])c(C(C)(C)C)c1[N+](=O)[O-] 33374235 CBBIVEJXKUKUDY-HJWRWDBZSA-N 388.445 5.375 30 40 GKEB Cc1ccc(/N=C\c2cn(C)c(=O)c3cc4ccc(C(F)(F)F)cc4nc23)cc1 36624743 CGWHGLPDJRBIEP-RAWMCFOBSA-N 395.384 5.165 30 40 GKEB O=[N+]([O-])c1ccc(/C=N/c2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 59463572 JRPHOAAFGFBABY-HZHRSRAPSA-N 385.448 6.136 30 40 GKEB Cc1cccc(/C=C/C(=O)c2c(C)nc3ccccc3c2-c2ccc(Cl)cc2)c1 95945283 KMGKETGYYVCICS-XNTDXEJSSA-N 397.905 7.068 30 40 GKEB COc1ccc(/N=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 100366143 HRWNMGORJZEJNE-ZVHZXABRSA-N 381.859 5.687 30 40 GKEB C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)N1CCC(c3noc4cc(F)ccc34)CC1)C2 100773759 ZWMZPOYFNBNECF-QMHKHESXSA-N 382.479 5.055 30 40 GKEB COc1cc(/C=N/c2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 103748304 BWDYFOHUIDKRJG-FYJGNVAPSA-N 393.355 5.055 30 40 GKEB CCCCCCCC/C=C/CCCCCCCC(=O)OCCOCCCC 109455366 LBUOSVPOVIEPLJ-OUKQBFOZSA-N 382.629 7.384 30 40 GKEB C=CCOC(=O)c1cc(Cl)c(-c2cc3ccccc3oc2=O)c(Cl)c1 226357427 BHOHYTBZIWQGBR-UHFFFAOYSA-N 375.207 5.110 30 40 GKEB COc1ccc(C(=O)/C=C/c2ccc(-c3ccc(C)c(Br)c3)o2)cc1 408652422 IBQZLPFWKKGYDW-PKNBQFBNSA-N 397.268 5.922 30 40 GKEB Cc1cc(/C=N/c2ccc(F)cc2F)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408953507 WNWFTPIMZPTLDW-YSURURNPSA-N 388.801 5.475 30 40 GKEB O=[N+]([O-])c1cccc(/N=C\c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)c1 409091452 QRIFZHWLMZTABU-OYKKKHCWSA-N 376.456 5.519 30 40 GKEB CCOc1ccc(-n2c(C)cc(/C=N\c3ccc(Cl)cc3Cl)c2C)cc1 409187416 QDBZOSILLDGNOU-CFRMEGHHSA-N 387.310 6.550 30 40 GKEB CCN(CC)c1ccc(/C=N/c2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 2839574 QVOFARWMWCRZRH-YZSQISJMSA-N 399.563 6.869 30 40 GKEB Clc1cccc(Cl)c1CO/N=C/c1ccc(OCc2ccccc2)cc1 3330476 JLLPBQHBOALHCJ-ZMOGYAJESA-N 386.278 6.123 30 40 GKEB C(=C\c1ccc(/N=C/c2ccccc2)cc1)\c1ccc(/N=C/c2ccccc2)cc1 4701368 YOOGCVVZLJISDY-DJLMYIGMSA-N 386.498 7.358 30 40 GKEB CC[C@@H]1S/C(=N\N=C\c2cccs2)N(Cc2cccc3ccccc23)C1=O 4889073 WZFBIWBNUYIZAU-JIIKEMMSSA-N 393.537 5.145 30 40 GKEB Cc1cc(C(F)(F)F)c(C#N)c(SCc2ccc(Cl)c(Cl)c2)n1 9306857 FSUMIHKYZZTHQC-UHFFFAOYSA-N 377.218 5.880 30 40 GKEB COc1ccc(/C=C2\Oc3cc(OCc4ccccc4Cl)ccc3C2=O)cc1 12374181 WOPQTLVTEBZTEA-UUYOSTAYSA-N 392.838 5.544 30 40 GKEB biogenic Cc1ccc(NC(=O)c2c(/N=C\c3ccc(O)cc3)sc3c2CCCC3)cc1 15013351 XPCWRZBZHKMQEM-OYKKKHCWSA-N 390.508 5.644 30 40 GKEB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C=CCC[C@]4(C)[C@H]3CC[C@@]21C 118925600 TTXJJFWWNDJDNR-STUZMOOUSA-N 382.632 7.373 30 40 GKEB O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccc(Cl)cc1Cl 263600773 KJGLJIKARHIRBG-UHFFFAOYSA-N 394.261 5.253 30 40 GKEB CCC(C)(C)[C@H]1CCC(=O)/C(=C/Nc2ccc(N=Nc3ccccc3)cc2)C1 408563545 NAPWWOWRACQRCG-XSOADTTBSA-N 375.516 7.203 30 40 GKEB CCOc1ccc(/N=C2/C(=O)N3c4c(cc(OCC)cc42)C(C)=CC3(C)C)cc1 2235878 GYRUULCYBXKZOR-NJNXFGOHSA-N 390.483 5.147 30 40 GKEB Sc1nnc(-c2ccc(Cl)cc2Cl)n1/N=C\c1ccccc1Cl 2695862 KRNKMNMHCNTKFH-UWVJOHFNSA-N 383.691 5.076 30 40 GKEB CCCCCCCc1ccc(-c2noc(-c3ccc(CCCC)cc3)n2)cc1 3022791 HKNRACFINYKKGH-UHFFFAOYSA-N 376.544 7.259 30 40 GKEB C=CCNC(=O)c1ccc(-c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 3069997 KISPWBYSMDMDOK-UHFFFAOYSA-N 389.307 5.700 30 40 GKEB COc1ccc(Oc2ccc(N/C=C/C(=O)c3ccc(Cl)cc3)cc2)cc1 4607932 ONOZTOJBINNGDC-CCEZHUSRSA-N 379.843 5.949 30 40 GKEB Cc1[nH]c(=S)c(C#N)c2c1[C@@]1(C)CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C2 5259332 FTBSKEZGWHIGHJ-CANUWGANSA-N 394.584 5.262 30 40 GKEB CN(C)c1ccc(/C=N/CC[C@@H](Cc2ccccc2)[C@H]2CCOC(C)(C)C2)cc1 5377641 WLIRZHQCAMPRQX-QGITZFTESA-N 392.587 5.626 30 40 GKEB Cc1cccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3c2c(C)nn3-c2ccccc2)c1 5603776 BKOJHXYGZLYFDK-HSZRJFAPSA-N 397.522 5.690 30 40 GKEB C=CCN(Cc1ccc(Cl)s1)c1ncnc2sc(-c3ccccc3)cc12 6904834 DUENHSVARJUJDI-UHFFFAOYSA-N 397.956 6.266 30 40 GKEB Cn1c(N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)nc2ccccc21 7343355 GVMYMGMESUNVJX-SSDVNMTOSA-N 385.254 5.586 30 40 GKEB CC1(C)[C@@H]2CC[C@@]1(C)C(=O)/C2=C\[C@@H](Cc1ccccc1)C(=O)Oc1ccccc1 13404095 UTUGYCPSXHQSSU-FCECYZBOSA-N 388.507 5.403 30 40 GKEB Cc1ccc(-c2nc(N/N=C/c3ccc(N(C)C)cc3)nc3ccccc23)cc1 46085411 KLAGNTPCLJSWIE-PCLIKHOPSA-N 381.483 5.117 30 40 GKEB N#Cc1c(-c2ccccc2Cl)noc1/C=C/Nc1ccc(C(F)(F)F)cc1 100406370 GZTVHGDKBDAHCX-MDZDMXLPSA-N 389.764 5.968 30 40 GKEB C=CCN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccc2ccccc2c1 225064500 FKXULTYWPZESJW-UHFFFAOYSA-N 399.515 5.888 30 40 GKEB N#Cc1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 226339682 LLUFBKDJLWWOCS-UHFFFAOYSA-N 391.479 5.860 30 40 GKEB Cc1cc(/C=N/c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)c(C)n1C 408861379 RELMQFAXZJRFAM-ZVHZXABRSA-N 397.588 5.395 30 40 GKEB CCN1C(=O)/C(=C\c2ccc(C(C)C)cc2)S/C1=N\c1c(C)cccc1C 408914184 WAXJRXPRUXHJBW-ZSICUCBDSA-N 378.541 6.051 30 40 GKEB CC[C@@H](C)N1C(=O)/C(=C\c2ccccc2Cl)S/C1=N\c1ccc(C)cc1 408914961 OLKMJSKCLIUWKJ-XNGCSZICSA-N 384.932 6.051 30 40 GKEB CCCCOC(=O)c1ccc(/N=C/c2ccc(O[C@@H](C)CC)c(Cl)c2)cc1 409021062 XJTZTPDBHWRUHZ-WTJYETQFSA-N 387.907 6.225 30 40 GKEB Cc1ccc(/N=C/c2ccc(OCc3cccc4ccccc34)c(Cl)c2)cc1C 409203396 XTLGOBNYCJMMAI-LQKURTRISA-N 399.921 7.440 30 40 GKEB O=C1/C(=C/c2cccc(OCc3c(F)cccc3Cl)c2)Sc2ccccc21 409310650 BXTSOXIZYPQMJZ-MTJSOVHGSA-N 396.870 6.388 30 40 GKEB COc1ccc(/C=N/c2ccc(/N=C/c3ccc(OC)cc3)c(Cl)c2)cc1 2170389 KWCWSEUAQYYHCC-KOJZRSEWSA-N 378.859 5.858 30 40 GKEB O=C1/C(=C/c2c(F)cccc2Cl)Oc2cc(OCc3ccc(F)cc3)ccc21 2211539 KNPMJOMWOKAUOZ-NHDPSOOVSA-N 398.792 5.813 30 40 GKEB O=C1/C(=C/c2ccc(Br)o2)CC/C1=C\c1ccc(Br)o1 4263967 FQSAMZBXONCPIY-FIFLTTCUSA-N 398.050 5.228 30 40 GKEB Cc1ccc([C@H]2C3=C(CCCC3=O)Nc3c2c(C)nn3-c2cccc(Cl)c2)o1 4948551 MQTRBUFBLCVKKZ-OAQYLSRUSA-N 393.874 5.300 30 40 GKEB Cc1ccccc1/N=C1\N=C(S)N(Cc2ccccc2)[C@]12CCOC(C)(C)C2 5854926 KWPAIRRIOJMPBO-QHCPKHFHSA-N 393.556 5.154 30 40 GKEB CCN(CC)c1oc(-c2ccc(COc3ccc4ccccc4c3)o2)nc1C#N 33027198 JSRLDXWULOEFTE-UHFFFAOYSA-N 387.439 5.385 30 40 GKEB CCCCCCCCCCCCNC(=S)N/N=C\c1cccc2ccccc12 104380317 ZULJURZPKSKYIC-QOMWVZHYSA-N 397.632 6.559 30 40 GKEB CO/N=C1/C=C2CC[C@H]3[C@@H]4C[C@H]5CCCC[C@]5(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 118913476 CTVOPPAULYUILQ-KPAFXHQGSA-N 397.603 6.327 30 40 GKEB C=CCOC(=O)/C=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 226336363 CYBMNVVAOSDWFA-RMKNXTFCSA-N 393.266 5.323 30 40 GKEB N#Cc1cn(C(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c2ccccc12 226361788 VENCIZZGCBALKR-UHFFFAOYSA-N 381.218 5.768 30 40 GKEB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=C/c3ccccc3F)C[C@@H]12 1889191815 OIEOFEFLLYWLLM-CDLOMRASSA-N 380.547 6.821 30 40 GKEB CCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccc4ncccc4c32)cc1 718248 NZYNUNRWZJPXAC-HSZRJFAPSA-N 398.506 5.834 30 40 GKEB O=C1C[C@H](c2ccc(Cl)cc2)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)O1 1390828 KIZZGYPNLVSPQY-WMLDXEAASA-N 387.262 5.425 30 40 GKEB C=CCn1c(SCC(=O)C(C)(C)C)nc2scc(-c3ccccc3)c2c1=O 3221168 FAJWSLCDQBQUHH-UHFFFAOYSA-N 398.553 5.018 30 40 GKEB N#Cc1c(/N=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)sc2c1CCCCC2 4807409 UVOBLNMRGPRIFM-OEAKJJBVSA-N 390.468 5.338 30 40 GKEB COc1ccc2cc(/C(C)=N/Nc3ncc(C(F)(F)F)cc3Cl)ccc2c1 5494708 BLXIKRKPXFGYLN-OPEKNORGSA-N 393.796 5.752 30 40 GKEB CCOc1ccc(/N=C/c2cc(Cl)ccc2OCc2cccc(F)c2)cc1 6962413 QDELMPVYGPAKSD-AFUMVMLFSA-N 383.850 6.207 30 40 GKEB O=C(O)c1ccc(-c2ccc(/C=N/NCc3c(Cl)cccc3Cl)o2)cc1 9195549 MFWARHKEFMSFOH-LSHDLFTRSA-N 389.238 5.075 30 40 GKEB COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)c1 12662990 HPUKMMWKEJWFSJ-LUIQNUNFSA-N 398.414 5.087 30 40 GKEB biogenic CN(C)/C=C(\C(=O)c1ccccc1)n1nc(-c2ccccc2)cc1-c1ccccc1 16958497 AUNHDDKRLIDOBH-NCELDCMTSA-N 393.490 5.460 30 40 GKEB C=CCN(C(=O)c1csc(-c2ccsc2)n1)c1nc2c(s1)CCCC2 21598039 FWDRGFUYBPDUPY-UHFFFAOYSA-N 387.555 5.040 30 40 GKEB C[C@H]1CCC[C@@](C)(c2ccccc2)/C1=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 31667424 FSNWJVKOOXZFPU-WFFHQBRWSA-N 382.420 5.049 30 40 GKEB C=C(C)C(=O)Oc1ccc(/N=N/c2ccc(Br)cc2)c2ccccc12 102947194 NEVNKKFKCOYJNN-GHVJWSGMSA-N 395.256 6.499 30 40 GKEB CC(C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)c(C#N)c1 225764479 KLKPKIVXHYVAPA-UHFFFAOYSA-N 396.918 5.839 30 40 GKEB Brc1ccc(COc2cccc(/C=N/Nc3ccccc3)c2)cc1 408567644 PDEDZZPJRAKVDR-HYARGMPZSA-N 381.273 5.474 30 40 GKEB Clc1ccc(COc2ccc3ccccc3c2/C=N/Nc2ccccc2)cc1 408818291 NNNLFTHOVIKLEV-WGOQTCKBSA-N 386.882 6.518 30 40 GKEB Cc1cc(C)cc(NC(=O)c2c(/N=C/c3ccncc3)sc3c2CCCC3)c1 408818892 ZEOVAVNRNOMBLM-AFUMVMLFSA-N 389.524 5.642 30 40 GKEB CCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1 408938969 LMVPMVHULOOKQJ-IJTPSOPVSA-N 394.518 6.662 30 40 GKEB CCOc1c(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cccc1OC 409087093 GGGXOWOYWYQLEJ-FRQJIFLKSA-N 396.556 5.929 30 40 GKEB COC(=O)c1cccc(/N=C\c2ccc(Sc3ccc(Cl)cc3)cc2)c1 409090076 QHZPNEBSKQSADB-UCQKPKSFSA-N 381.884 6.028 30 40 GKEB N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCC[C@H]2CC2(F)F)cc1Cl 598649230 KXUZEXXKBKGRLV-WMLDXEAASA-N 389.833 5.162 30 40 GKEB CCCc1ccc(-c2c(C)sc(NC(=O)c3ccc(C)s3)c2C#N)cc1 2770496 OGFCMMHUEAJCBZ-UHFFFAOYSA-N 380.538 6.170 30 40 GKEB FC(F)(F)c1cnc(C/C=N\OCc2ccc(Cl)cc2Cl)c(Cl)c1 5248743 MDBRXQADGBMRJH-WVHIBCRRSA-N 397.611 5.806 30 40 GKEB C=CCSc1ncc(-c2ccc(OC)cc2)n1-c1ccc(OC(F)F)cc1 44088115 HXCFPESSGPMRSL-UHFFFAOYSA-N 388.439 5.427 30 40 GKEB C=C1CC[C@H](O)C/C1=C/C=C1/CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C/[C@@H](C)C(C)C 71618083 MECHNRXZTMCUDQ-SGIZJPNPSA-N 396.659 7.641 30 40 GKEB Oc1ccc(Cl)cc1/C=N\CCCCCC/N=C/c1cc(Cl)ccc1O 104063609 MJEDAFLTUJSUIS-NQGGHMMCSA-N 393.314 5.503 30 40 GKEB CCCCCCCCCCCCNC(=S)N/N=C/c1ccc(N(C)C)cc1 104380348 WJPIPSIPUPMPDI-LYBHJNIJSA-N 390.641 5.472 30 40 GKEB CC/N=C1\S/C(=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)C(=O)N1CC 223555476 JJMRYIZKEBEJAI-YLSUVZQESA-N 399.604 5.499 30 40 GKEB Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c1C 408587932 APVQQZROTXYTBQ-FSJBWODESA-N 397.862 5.515 30 40 GKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(OC(C)C)cc2)C(=O)N1C 408913452 MLGAIOUFORSUEY-QNQNADBQSA-N 380.513 5.270 30 40 GKEB CCn1nc(C)c(/N=C/c2c(OC)ccc3cc(Br)ccc23)c1C 408977123 UIZLRCVXDMZOSS-SRZZPIQSSA-N 386.293 5.195 30 40 GKEB COc1ccc(C(=O)/C=C/Nc2ccc(Oc3ccccc3Cl)cc2)cc1 409091568 VGFMTEFPLJDHJJ-CCEZHUSRSA-N 379.843 5.949 30 40 GKEB Cc1c(C(=O)OC(C)C)sc(NC(=O)c2cc(Cl)ccc2Cl)c1C#N 995677 SEROFXUJLNDFJJ-UHFFFAOYSA-N 397.283 5.053 30 40 GKEB Cc1cc2c(cc1C)N[C@H](c1ccc([N+](=O)[O-])s1)C1=C(CC(C)(C)CC1=O)N2 1067230 YQUXWNJXUAXPHQ-HXUWFJFHSA-N 397.500 5.495 30 40 GKEB Cc1cc(C)c(C#N)c(Oc2cccc(NC(=O)c3ccccc3Cl)c2)n1 1072427 UAZMHNSSVCZPBU-UHFFFAOYSA-N 377.831 5.268 30 40 GKEB Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc2sc(-c3ccccc3)nc2c1 3190900 YSFGKEMWHORHNQ-FOKLQQMPSA-N 399.302 6.726 30 40 GKEB CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccccc1 9264264 FKJISGVXKYVBPV-CJAUYULYSA-N 398.462 5.200 30 40 GKEB COc1cccc(/C=N/c2ccc(-c3nc4c(ccc5ccccc54)o3)cc2)c1O 18094214 KOUAJUMMCBXFLO-CVKSISIWSA-N 394.430 6.113 30 40 GKEB O=C(/C(=N/N=C/c1cc(Cl)cc(Cl)c1O)c1ccccc1)c1ccccc1 25693218 YKJLNWKJYMGYQV-YNRWYYTJSA-N 397.261 5.405 30 40 GKEB CCCCCCCCCCCCCCCC1=C(O)C(=O)c2ccccc2C1=O 43328149 PLJIPVAIZHEILC-UHFFFAOYSA-N 384.560 7.359 30 40 GKEB O=C1/C(=C\c2ccc(OC(F)F)cc2)[C@H](c2ccccc2)Oc2ccccc21 97993100 QUIMJEXSOJCBLC-SLTDHEAWSA-N 378.374 5.688 30 40 GKEB Cc1ccc(-c2cc(C(F)(F)F)nc(N/N=C/c3ccc(F)s3)n2)s1 252509602 YRFIXSBPKHDUIA-IFRROFPPSA-N 386.399 5.179 30 40 GKEB Cc1ccc(/C=C2/S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)cc1 408914846 XZVOGDJHZGYGPT-LVCNHQDNSA-N 398.531 5.842 30 40 GKEB C/C(=N/Nc1nc(-c2ccccc2)c(C)s1)c1ccc(C2CCCCC2)cc1 409052500 UEUBRTQKUZDGKP-ONUIUJJFSA-N 389.568 7.002 30 40 GKEB O=C(/C=C/Nc1ccc(Oc2ccccc2Cl)cc1)c1ccc(Cl)cc1 409097185 LPQGJQGRMSSTNR-BUHFOSPRSA-N 384.262 6.594 30 40 GKEB Cc1ccc(Cl)cc1/N=C\c1cccc(OCc2ccc(C(=O)O)cc2)c1 409218138 YWHWUPXFCGSAKP-CFRMEGHHSA-N 379.843 5.676 30 40 GKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)c2C#N)C1 5428531 XKBWWNIDMNDCKU-QRQLOZEOSA-N 392.568 5.903 30 40 GKEB CSc1nc2ccccc2cc1/C=N/OC(=O)c1ccc(Cl)c(Cl)c1 6182758 NSERMDBDNSRTLB-UFFVCSGVSA-N 391.279 5.454 30 40 GKEB O=C1/C(=C/c2ccc(Br)cc2)[C@H](c2ccccc2)Oc2ccccc21 12339531 BOYUWRVHTCLLJC-DJAVKIJBSA-N 391.264 5.849 30 40 GKEB N#Cc1c(NC(=O)CSc2ccc3ccccc3n2)sc2c1CCCCC2 12542418 LSLXAMNYPURKQM-UHFFFAOYSA-N 393.537 5.168 30 40 GKEB C#Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2F)c1 12942776 UAXHVUUJKRJEMH-UHFFFAOYSA-N 392.411 5.119 30 40 GKEB Cc1cc(/N=C/c2ccc(Br)cc2)ccc1NC(=O)c1ccco1 102422497 ULPLYLQJDAHNPH-CIAFOILYSA-N 383.245 5.353 30 40 GKEB C=CCOC(=O)c1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1 226340155 HZZUOFWNKDXWTD-UHFFFAOYSA-N 399.643 5.163 30 40 GKEB Oc1ccc2ccccc2c1C=Nn1c(-c2ccc(Cl)cc2)n[nH]c1=S 254622288 HQHJNSCPLSXPPK-UHFFFAOYSA-N 380.860 5.002 30 40 GKEB Cc1ccc(/C=C2\S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1 408726556 SWIYOXNEZLOYGH-JTUXUYRKSA-N 398.531 6.420 30 40 GKEB Cc1cc(N=C2NC(=O)/C(=C/c3cccs3)S2)cc(C)c1Br 408764849 VUQQZOAEDJMQLI-JYRVWZFOSA-N 393.331 5.019 30 40 GKEB Cc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc(C)c1OCc1ccc(F)cc1 408856850 RJJQGZBHAAQILX-CFRMEGHHSA-N 393.418 5.376 30 40 GKEB Cc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccccc1C(C)C 408913095 SMAXPBSRPIXATA-UCQKPKSFSA-N 376.460 5.572 30 40 GKEB C=CCc1cc(CNc2ccc(C)cc2)cc(OCC)c1OCc1ccccc1 409111144 AMMCSPOQHGFQKD-UHFFFAOYSA-N 387.523 6.313 30 40 GKEB COc1ccc(/N=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 409216953 MPLUDWOGHXAKIT-CFRMEGHHSA-N 386.278 6.332 30 40 GKEB Cc1ccc(-c2oc(/N=C/c3cccc(O)c3)c(C#N)c2-c2ccc(C)cc2)cc1 409363954 KFXOBENVZTXMKW-LQKURTRISA-N 392.458 6.558 30 40 GKEB CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@@H]1[C@H]2c1ccccc1Cl 647688 WOUVTKDIPNMELY-PZJWPPBQSA-N 389.882 5.382 30 40 GKEB CC(C)(C)c1ccccc1NC(=O)CO/N=C/c1ccc(Cl)cc1Cl 3312514 WMRXKSZKSDAYNW-SSDVNMTOSA-N 379.287 5.280 30 40 GKEB O=[N+]([O-])c1ccccc1SN(/C=N/Cc1ccccc1)Cc1ccccc1 5772773 GOHHZFQXUXSSGR-OQKWZONESA-N 377.469 5.333 30 40 GKEB Cn1c([C@@H](C#N)C(=O)[C@H](Sc2ccccc2)c2ccccc2)nc2ccccc21 6567057 QRPPVVILVWRKMT-WMZHIEFXSA-N 397.503 5.283 30 40 GKEB CCOc1ccccc1CN1C[C@@H](C)S/C1=N\c1ccc(Cl)cc1Cl 7699112 UJUMIRMKVAKWJY-AIZVWQMJSA-N 395.355 6.017 30 40 GKEB C[C@@H]1CC2=CCCC(C)(C)[C@@H]2C[C@H]1/C=N/Nc1nnc2c(n1)[nH]c1ccccc12 96585985 ZJMNWWOSWJJSTK-KEMAUFSWSA-N 388.519 5.313 30 40 GKEB biogenic CCCCCCCCCCCC(=O)O[C@@H](C)C(=O)N(CCCC)CCCC 100302512 NPYDRNCLCMUULA-NRFANRHFSA-N 383.617 6.268 30 40 GKEB Cc1cccc(/N=C/c2c(C)c(C(=O)c3ccc(F)cc3)n3ccccc23)c1C 102939330 WSOCQQKKYAGXTE-JFLMPSFJSA-N 384.454 5.985 30 40 GKEB CC/N=C1\S/C(=C\c2ccc3c(c2)C(C)=CC(C)(C)N3CC)C(=O)N1CC 223473133 HWKIIBZKVZFNTP-QFGKFHJGSA-N 383.561 5.021 30 40 GKEB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 225844897 WSHNOQKQOZMEFG-UHFFFAOYSA-N 388.552 5.542 30 40 GKEB C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2cccc(O)c2)S/C1=N\c1ccccc1 408862564 HGWVHFCUGGZIPY-QGEXOZEFSA-N 392.524 5.575 30 40 GKEB CCN1C(=O)/C(=C\c2ccc(OC)c(C)c2)S/C1=N\c1cc(C)ccc1C 408906179 ASVJUCJGGLGWJU-DYEBMTOPSA-N 380.513 5.244 30 40 GKEB Cc1ccc(/N=C2\S/C(=C/c3ccccc3)C(=O)N2CCc2ccccc2)cc1 408914273 NQOMSZHBHCCODX-LVCNHQDNSA-N 398.531 5.842 30 40 GKEB COC(=O)c1ccc(/N=C\c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)cc1 409116154 KYXTZEZOCMYQGP-HMAPJEAMSA-N 392.436 5.283 30 40 GKEB Cc1cc(C)nc(Sc2ccc(/C=N/c3sc4c(c3C#N)CCCC4)o2)n1 409140649 LCGCZXOXTDEBOK-SSDVNMTOSA-N 394.525 5.400 30 40 GKEB C[C@@H]1CCc2sc(NC(=O)COc3ccc(Cl)cc3Cl)c(C#N)c2C1 998702 QDKKLDZPRHRQHR-SNVBAGLBSA-N 395.311 5.069 30 40 GKEB Clc1ccc(/C=N/c2ccc3nc(-c4ccc5ccccc5c4)oc3c2)cc1 3102973 AHHZGKCAMPEVFI-CVKSISIWSA-N 382.850 7.052 30 40 GKEB N#CCCSc1ccccc1NC(=O)c1ccc(C(=O)c2ccccc2)cc1 4176922 UNEWQSQYPKLNJR-UHFFFAOYSA-N 386.476 5.176 30 40 GKEB Cc1ccc(C(C)C)c(OCc2ccccc2C(=O)Nc2ccc(CC#N)cc2)c1 4761537 VEMSYPZPKDPLHL-UHFFFAOYSA-N 398.506 6.016 30 40 GKEB Cc1ccc([C@@H]2C[C@H]2/C(=N/OCc2ccccc2F)c2ccc(F)cc2)cc1 5617819 OJHCWLGHNUBRQP-HHNUCZQDSA-N 377.434 5.998 30 40 GKEB COc1cc(/C=N/Nc2nc(C)cs2)ccc1OCc1ccccc1Cl 5756457 NQWZGYMGZYWLLO-UFFVCSGVSA-N 387.892 5.139 30 40 GKEB COc1cccc(Oc2ccc(N/C(C)=C/C(=O)c3ccc(Cl)cc3)cc2)c1 6021296 QQECFUPSZJNCGJ-JQIJEIRASA-N 393.870 6.340 30 40 GKEB CC(=O)/C(=C\c1ccc(C(F)(F)F)cc1)C(=O)Nc1cc(Cl)ccc1C 6937769 DLDNVPYUPIMXQK-CXUHLZMHSA-N 381.781 5.278 30 40 GKEB N#CCSc1nnc(CNc2cccc(C(F)(F)F)c2)n1C1CCCCC1 7147603 JCDKLOBQNDOMAN-UHFFFAOYSA-N 395.454 5.030 30 40 GKEB N#CCOc1ccc(C(=O)/C=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 13010992 MBLGMVDLLSSQJV-RMKNXTFCSA-N 398.245 6.052 30 40 GKEB N#Cc1c(NC(=O)c2ccc(COc3ccc(F)cc3)o2)sc2c1CCCC2 28233810 OSWOKKBNWFFEBF-UHFFFAOYSA-N 396.443 5.062 30 40 GKEB O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C\c1ccc(O)c(Cl)c1 96483367 CIBPGCYQAWWYAH-QPEQYQDCSA-N 399.686 5.244 30 40 GKEB CCCCCCCC/C=C\CCCCCCCC(=O)N1CC[N+](C)(C)CC1 104119576 MRMFXYUQQIAQJY-QXMHVHEDSA-N 379.653 5.943 30 40 GKEB CCCCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 147427888 DQQCDAVESUVSSH-UHFFFAOYSA-N 388.192 5.245 30 40 GKEB O=C(O)c1ccc(Cn2cc(/C=N\c3ccc(Cl)cc3O)c3ccccc32)o1 408542770 NUNMSDMBMNHALY-RMORIDSASA-N 394.814 5.090 30 40 GKEB CCc1ccc(-n2c(C)cc(/C=N/c3ccc(Br)cc3)c2C)cc1 408760751 FKSQDLALDKUXNG-OEAKJJBVSA-N 381.317 6.170 30 40 GKEB C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccccc2)S/C1=N\c1ccccc1 408862075 IARFEJBQUWEFDR-ICGSIJDTSA-N 376.525 5.869 30 40 GKEB C#CCOc1c(Cl)cc(Cl)cc1CNc1ccc(Oc2ccccc2)cc1 409117961 RTZXAICNRMEPLJ-UHFFFAOYSA-N 398.289 6.410 30 40 GKEB C=CCOc1cccc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)c1 409342120 CBOSMBUKGDMQJD-UYRXBGFRSA-N 381.522 5.274 30 40 GKEB CCN1c2ccccc2C=C(c2ccc3ccccc3n2)[C@H]1C#Cc1ccccc1 4043712 HUARWLYNUUIUIX-MUUNZHRXSA-N 386.498 6.036 30 40 GKEB Cc1ccc(-c2nnc(SCc3ccc(C#N)cc3)n2-c2ccc(C)cc2)cc1 4541236 VMELIVROZKHWDW-UHFFFAOYSA-N 396.519 5.715 30 40 GKEB N#Cc1c(NC(=O)c2cccc(OCc3ccccc3)c2)sc2c1CCCC2 6282339 JLQPPAWFCWVGRJ-UHFFFAOYSA-N 388.492 5.330 30 40 GKEB O=[N+]([O-])c1cccc(CO/N=C/c2ccccc2OCc2ccccc2Cl)c1 408591648 JUQFHNGBHJXZPC-YDZHTSKRSA-N 396.830 5.378 30 40 GKEB C=CCOc1ccc(NC(=O)C(=O)NCCCCCCCCCCCC)cc1 408709636 VUDJZYPLLXMXEZ-UHFFFAOYSA-N 388.552 5.227 30 40 GKEB CCCCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 408781215 AZRPODJSHSOQHV-WGOQTCKBSA-N 392.474 5.941 30 40 GKEB COc1cc(/C=N\c2cc(C)ccc2C)ccc1OCc1cccc(C(=O)O)c1 408820055 UUISNTPQPJAWCI-QFEZKATASA-N 389.451 5.340 30 40 GKEB COC(=O)c1ccccc1/N=C\c1ccc(Sc2ccc(Cl)cc2)s1 409018860 VZCAECUCTMRENE-MTJSOVHGSA-N 387.913 6.090 30 40 GKEB Cc1oc(/N=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)c(C#N)c1C 409147483 YIMICDBOOJSAKP-OPEKNORGSA-N 399.277 6.405 30 40 GKEB C[C@@H]1Cc2c(sc(NC(=O)c3cscc3C(F)(F)F)c2C#N)[C@H](C)C1 598837374 DBENFMKBTUUTNH-DTWKUNHWSA-N 384.448 5.638 30 40 GKEB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/Sc3ccccc3C2=O)o1 820935 YHDHJVYRFZIIGO-YBFXNURJSA-N 379.393 5.193 30 40 GKEB C[C@@H](Oc1ccc(-c2ccc(C#N)cc2)cc1)C(=O)c1ccc(C(C)(C)C)cc1 2622336 IPNAPLAENTZEOP-GOSISDBHSA-N 383.491 6.173 30 40 GKEB O=C(/C=C/c1c(Cl)cccc1Cl)c1ccc2ccc3ccccc3c2c1 4280540 LSEMFSDVMQCSKD-OUKQBFOZSA-N 377.270 7.196 30 40 GKEB CC1(C)CC(=O)C2=C(C1)N(c1cccc([N+](=O)[O-])c1)C1=C(C2)C(=O)CC(C)(C)C1 4311289 VRAJYRQNTAYANN-UHFFFAOYSA-N 394.471 5.091 30 40 GKEB COC(=O)c1ccc(COc2ccccc2/C=N/Nc2ccccc2Cl)cc1 5781517 XKCRVZBWVPQIMH-ZVHZXABRSA-N 394.858 5.152 30 40 GKEB CC(=O)c1cccc(/N=C(\O)[C@@H](C)Oc2ccc3c(C(C)C)cc(=O)oc3c2)c1 21327378 SOPFRBMEHMWWKE-OAHLLOKOSA-N 393.439 5.175 30 40 GKEB CCCCCCCC/C=C/CCCCCCCC1=NCC[N+]1(CCO)CCO 59255616 KZKBTHQFURSSHW-MDZDMXLPSA-N 395.652 5.237 30 40 GKEB Cc1ccc(-n2c(C)cc(/C=C3\S/C(=N\c4ccccc4)NC3=O)c2C)cc1 83309959 XCTPMKNSBDOHRB-STZFKDTASA-N 387.508 5.294 30 40 GKEB CCCCCCCCCC(=O)Nc1c(C(=O)OCC)[nH]c2ccc(F)cc12 97951286 RURAUZRXNGGSTE-UHFFFAOYSA-N 376.472 5.563 30 40 GKEB CCCCCCCCCCOc1ccc(C(=O)c2cccc([N+](=O)[O-])c2)cc1 97983137 HNGJMQIITXGAOO-UHFFFAOYSA-N 383.488 6.345 30 40 GKEB Cc1cc2c(cc1C)CN(c1ccc(/C=N/c3ccccc3C(F)(F)F)cc1)C2 100102551 INYGDOAUDFNJHN-XODNFHPESA-N 394.440 6.593 30 40 GKEB O=C(COc1ccc(/C=N\c2ccc(F)cc2)cc1)Nc1cccc(Cl)c1 100413144 KZJCREHCYHQKRS-CFRMEGHHSA-N 382.822 5.247 30 40 GKEB Cc1ccc(-n2c(C)cc(/C=N/c3sc4c(c3C#N)CCCC4)c2C)cc1C 408739400 BLVUEDXWJQFFDF-VULFUBBASA-N 387.552 6.274 30 40 GKEB CC(C)(C)c1cc(-c2c3c([nH]c(=N)c2C#N)CCCC3)cc(C(C)(C)C)c1O 408984343 GZQABFJOFBKGEX-UHFFFAOYSA-N 377.532 5.212 30 40 GKEB CC[C@H](C)c1ccc(/N=C/c2cccn2-c2cccc(Br)c2)cc1 409010808 LOBQJBDPLCDGHV-PFRBSUFTSA-N 381.317 6.504 30 40 GKEB CCCN1C(=O)/C(=C/c2ccccc2OC)S/C1=N/c1ccc(Cl)cc1 409084980 YOTCLLMDSUXDSR-YISMEOAQSA-N 386.904 5.363 30 40 GKEB CCOc1ccc(-n2c(C)cc(/C=N/c3ccc(C(=O)OC)cc3C)c2C)cc1 409187110 MEIXEBSCCHZOSC-MFKUBSTISA-N 390.483 5.338 30 40 GKEB O=C(Oc1ccc(/C=N/c2ccccc2)cc1[N+](=O)[O-])c1cccc2ccccc12 1444712 JEOARMADUMMRHJ-PCLIKHOPSA-N 396.402 5.718 30 40 GKEB Clc1ccc(/C=N/c2nc3ccccc3n2Cc2ccccc2)cc1Cl 4561863 KBFFTZHKHJRYFG-ZMOGYAJESA-N 380.278 6.142 30 40 GKEB CCOc1cc(/C=N/c2cccc(C)c2C)ccc1OCc1cccc(Cl)c1 6961420 AXKSXCANGUFWHB-CVKSISIWSA-N 393.914 6.685 30 40 GKEB C=CCOc1c(Br)cc(/C=N/c2ccc(OCC)cc2)cc1OC 6962132 MXMGMKRKQAYUDC-FYJGNVAPSA-N 390.277 5.172 30 40 GKEB C[C@@H](CN(C)C)C(/C=C\c1ccc(Cl)c(Cl)c1)=N/Nc1ccccc1 8652512 MHXJNMINLOJZPT-WWVHJOKWSA-N 376.331 5.672 30 40 GKEB Cc1c(C(=O)Nc2ccccc2)sc2c1[C@@H](c1ccc(C#N)cc1)CC(O)=N2 32100216 IXHAFOBPSISVCV-QGZVFWFLSA-N 387.464 5.304 30 40 GKEB Clc1nc2ccccc2nc1N/N=C/c1ccc(OCc2ccccc2)cc1 32647141 KUDZJEOVBQXCGR-ZVHZXABRSA-N 388.858 5.308 30 40 GKEB Brc1ccc(/C=N/c2ccc(N3Cc4ccccc4C3)cc2)cc1 100056018 SSKUJZQNGKAZCK-YDZHTSKRSA-N 377.285 5.720 30 40 GKEB C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)C#Cc1ccccc1 118915117 LZYLYVQWNIUJNH-RPWQORLESA-N 392.583 5.173 30 40 GKEB C=CCC(C(=O)Nc1ccc(OC(C)C)cc1)(c1ccccc1)c1ccccc1 225935473 UTDAIVOVFXBVEC-UHFFFAOYSA-N 385.507 5.975 30 40 GKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N\c2cc(C(=O)O)ccc2C)cc1OC 409382475 MSUXFRNDSLXZSS-MYSNOUKZSA-N 375.852 5.283 30 40 GKEB CCOc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)cc1 868871 IJECQMWOPSFMFV-OAQYLSRUSA-N 393.527 5.899 30 40 GKEB Cc1ccc2oc(-c3cccc(/N=C/c4ccc(Br)cc4)c3)nc2c1 2147807 JAKATQGITOYPNW-YDZHTSKRSA-N 391.268 6.316 30 40 GKEB O=C1ON=C(c2ccccc2)/C1=C/c1cccc(OCc2ccc(Cl)cc2)c1 4520973 QAJXXEOBZRJIBV-STZFKDTASA-N 389.838 5.264 30 40 GKEB C/C(=N/N=c1\scc(-c2ccccc2)n1Cc1ccccc1)c1ccccc1 5494365 LZUZXHIKNBOARF-ZBNGHAHYSA-N 383.520 5.590 30 40 GKEB CCCOc1c(Br)cc(/C=N/c2ccc(C)cc2)cc1OCC 6880620 CYLPDEFKFZRFPR-FYJGNVAPSA-N 376.294 5.696 30 40 GKEB C[C@@H]1CCc2c(sc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)c2C#N)C1 12617509 BUZNDDFEFGDSGA-GFCCVEGCSA-N 388.920 5.194 30 40 GKEB Cc1sc(NC(=O)c2cc(-c3cccs3)nc3onc(C)c23)c(C#N)c1C 13642051 HCDMCPGRMZBBGU-UHFFFAOYSA-N 394.481 5.062 30 40 GKEB CC/C(=N\Nc1nc(C)nc2sc3c(c12)CCCC3)c1ccc(Cl)cc1 25394469 BANQAODHBBDMLL-LFVJCYFKSA-N 384.936 5.758 30 40 GKEB C[C@H]1CCCC/C1=N/SC(c1ccccc1)(c1ccccc1)c1ccccc1 104244805 VICRXONXPPCOQD-ZJJRIXMCSA-N 385.576 7.278 30 40 GKEB N#CCc1ccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1 219837985 NMSNELQNLAFHEF-UHFFFAOYSA-N 376.843 5.237 30 40 GKEB Cc1cccc(-n2c(C)cc(/C=N\c3ccc(C)cc3Br)c2C)c1 408765334 VJWRGJPIWOHTHS-QRVIBDJDSA-N 381.317 6.224 30 40 GKEB COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2c(C)[nH]c3ccccc23)S1 408883938 SHYRFHZTVIAXBR-ZDLGFXPLSA-N 397.887 5.030 30 40 GKEB O=C1/C(=C\c2ccsc2)S/C(=N/Cc2ccccc2)N1Cc1ccccc1 408989323 TYJVMTIVNTWAAL-SAPPFYIZSA-N 390.533 5.421 30 40 GKEB CCn1c(C)c(/C=N\Nc2c(F)c(F)c(F)c(F)c2F)c2cc(C)ccc21 409050667 YILGHAVUPRMIJT-JAHAZDFLSA-N 381.348 5.420 30 40 GKEB CCCN1C(=O)/C(=C\c2ccccc2OCc2ccccc2C#N)c2ccccc21 409116776 LRLYEENUXWTHTJ-KQWNVCNZSA-N 394.474 5.434 30 40 GKEB C=CCN(C[C@H](O)CN1c2ccccc2Sc2ccccc21)c1ccccc1 2083432 BALXTILGWDXKMW-FQEVSTJZSA-N 388.536 5.343 30 40 GKEB biogenic CCCCC(=O)Nc1cccc(/N=C/c2cc(C)cc(Br)c2O)c1 6396793 XNHONGIAMXTDSR-CIAFOILYSA-N 389.293 5.342 30 40 GKEB Cc1cccc(C(C)C)c1NC(=O)[C@H](C)Sc1nc(C)c(C)c(C)c1C#N 7059738 LRMUJHWAFBVVGJ-KRWDZBQOSA-N 381.545 5.430 30 40 GKEB O=S(=O)(C(=C/c1ccccc1)/N=C(\Cl)c1ccccc1)c1ccccc1 32634088 MNENQEXEEPQTDR-MVINRXBHSA-N 381.884 5.145 30 40 GKEB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2/N=C\c1ccccc1 118917461 PSKHDAPOVCIOJR-IANWGLDUSA-N 379.588 5.878 30 40 GKEB CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(O[C@@H](C)CC)cc1C#N 225823906 MRANFDSXOONIHS-SFHVURJKSA-N 388.552 5.542 30 40 GKEB C=CCOC(=O)c1cc(Cl)c(OCc2ccccc2F)c(Br)c1 226340177 ZMROTOLXFDNTSS-UHFFFAOYSA-N 399.643 5.163 30 40 GKEB C=CCn1c(SCc2ccc(F)cc2)nnc1-c1cc2cc(Cl)ccc2o1 409343374 HCJQMHLGTANACA-UHFFFAOYSA-N 399.878 5.962 30 40 GKEB Cc1ccc2nc(/N=C/c3cc(Cl)cc(Br)c3O)sc2c1 826463 JZHNAMUCGMPRNT-CNHKJKLMSA-N 381.682 5.477 30 40 GKEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccccc1F)Nc1ccccc1N2 856585 SZRHPNBUNPFIFI-GKVSMKOHSA-N 384.454 5.805 30 40 GKEB C[C@H]1Oc2ccccc2C=C1/C=N/Nc1ncnc2scc(-c3ccccc3)c12 2216606 XWOJXJNIRZDCOF-ZXGJNYTGSA-N 398.491 5.621 30 40 GKEB C=CCc1cc(OC)ccc1Oc1ncnc2scc(-c3ccc(C)cc3)c12 3416888 CBNVFKXKYRXWAZ-UHFFFAOYSA-N 388.492 6.196 30 40 GKEB COc1cc(/C=N/Nc2nc(C)cs2)ccc1OCc1ccc(Cl)cc1 3958998 ADWHLPGNBBFRII-UFFVCSGVSA-N 387.892 5.139 30 40 GKEB COc1c(Br)cc(/C=N/c2ccc(C)c(C)c2)cc1Br 5417191 INLQXLNMVQWYGI-DJKKODMXSA-N 397.110 5.588 30 40 GKEB CCCCCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 28538109 MTYLJFSVEPZMIY-NRFANRHFSA-N 386.536 5.201 30 40 GKEB biogenic C=CCOc1ccc(/C=C2/SC(=S)N(c3ccc(CC)cc3)C2=O)cc1 35040842 FUQJKPWZCXRUBB-XMHGGMMESA-N 381.522 5.220 30 40 GKEB C=CCSc1ncc(-c2ccc(Br)cc2)n1-c1ccccc1C 44086897 WIFHZYRAFIWMBF-UHFFFAOYSA-N 385.330 5.888 30 40 GKEB O=C(/C=C/c1ccccc1)OCCOc1ccc(/C=C\C(=O)c2ccccc2)cc1 68591986 XWOHHCSZHHLAAJ-SIJTWYJSSA-N 398.458 5.218 30 40 GKEB CO[C@@H](C)c1nc(CN(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cs1 72311041 QPZZLEOVUBXRFR-INIZCTEOSA-N 395.503 5.064 30 40 GKEB C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccccc1SCCC#N 78668907 ZOJNVTWRHMWTSI-GFCCVEGCSA-N 395.311 5.405 30 40 GKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@]4(C)[C@H]3CC[C@@]21C 100657483 QNTASHOAVRSLMD-SIWSWZRQSA-N 399.663 7.858 30 40 GKEB C=CCn1c(-c2ccc(Cl)cc2Cl)cs/c1=N/c1ccccc1F 102962789 PEPWPVLOKDTMPB-RELWKKBWSA-N 379.287 6.081 30 40 GKEB CCCCCCCC/C=C/CCCCCCCC1=NC(C)(C)CN1CCO 104326569 SSKYOXIHQFQZRW-VAWYXSNFSA-N 378.645 6.509 30 40 GKEB O=C(O)c1ccc(Cn2cc(/C=N/c3ccc(F)c(Cl)c3)c3ccccc32)o1 408541458 CRXNJAKVYKGHTB-YSURURNPSA-N 396.805 5.524 30 40 GKEB Cc1cc(C)c(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1C 408720648 BAEBKDJZQKGXIR-JTUXUYRKSA-N 398.531 6.420 30 40 GKEB Fc1cccc(COc2ccccc2/C=N\Nc2ccc(C(F)(F)F)cc2)c1 408931162 HWQQSFIRFBQEPJ-ZMFRSBBQSA-N 388.364 5.870 30 40 GKEB COc1cccc(Oc2ccc(/N=C/c3ccc(N4CCCC4)c(F)c3)cc2)c1 409068188 SZVNLRPJKZBHBK-YZSQISJMSA-N 390.458 5.977 30 40 GKEB CN(C)c1ccc(/N=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)cc1 1437726 MJYCMEPNVSXOMW-BUVRLJJBSA-N 378.859 5.376 30 40 GKEB FC(F)(F)c1ccc(C(=Nc2ccccc2)c2ccc(C(F)(F)F)cc2)cc1 3184480 AMSPEPRIBOWIRU-UHFFFAOYSA-N 393.330 6.893 30 40 GKEB O=C(/C(=C\c1cccc2ccccc12)c1nc2ccccc2o1)c1ccccc1 4747028 YOPUPRQGLKUWKF-OQKWZONESA-N 375.427 6.405 30 40 GKEB Clc1cc(Cl)c(N/N=C/c2ccccc2Br)c(Cl)c1 5785645 XREKREPGKUOVTC-CNHKJKLMSA-N 378.484 5.855 30 40 GKEB CCN(/C(=N/c1ccc(OC)cc1)SCc1ccc(C)cc1)c1ccccc1 6318717 HFDLTVGCJPZHEW-IZHYLOQSSA-N 390.552 6.451 30 40 GKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)Cn3ccc4ccccc43)c2C#N)C1 6323092 ILOQEEDJVBOOKB-MRXNPFEDSA-N 391.540 5.364 30 40 GKEB Cc1cc(/C=N/Nc2nc(-c3ccc(F)cc3)cs2)c(C)n1C1CCCC1 6962468 SBBFZBKHPYWELP-FSJBWODESA-N 382.508 5.929 30 40 GKEB CCc1ccc(/N=C/c2c(OCc3cccc(F)c3)ccc3ccccc23)cc1 8084150 JJPLKIZJQHKCJX-OGLMXYFKSA-N 383.466 6.871 30 40 GKEB Cc1ccc(CNc2oc(-c3ccc(COc4ccccc4)o3)nc2C#N)cc1 12418860 MLOJJWRLDITRPK-UHFFFAOYSA-N 385.423 5.306 30 40 GKEB O=C(/C=C/c1ccc(-c2ccccc2F)o1)c1ccc(N2CCCC2=O)cc1 12774489 NNCNAGWMTWVFON-ACCUITESSA-N 375.399 5.109 30 40 GKEB CC(C)N(CC#CC[C@](O)(c1ccccc1)C1CCCC1)Cc1ccccc1 57284716 KKXBTQQZUDEKSQ-SANMLTNESA-N 375.556 5.369 30 40 GKEB Cc1ccc(/C=C2/C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1 122116192 YMSNYXZYNBOINX-WYQYDEJJSA-N 390.567 5.881 30 40 GKEB CCOC(=O)c1sc(NC(=O)c2cccc3c(Cl)cccc23)c(C#N)c1C 408629273 UIUKEPWNWDLXQK-UHFFFAOYSA-N 398.871 5.164 30 40 GKEB CCOC(=O)c1cccc(/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1 408738088 NKQCTQKNCUKMET-ZVHZXABRSA-N 380.875 5.675 30 40 GKEB C[C@H]1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)/C(=N/c2ccc(F)cc2)S1 1772768768 SHKNIJKASRGSEG-MNAVYHJGSA-N 398.290 5.789 30 40 GKEB COc1cc(Cl)cc(/C=N/c2ccc(-c3nc4cc(C)ccc4o3)cc2)c1O 973707 BNEXHICVPXWYLE-WYMPLXKRSA-N 392.842 5.921 30 40 GKEB Cc1cc(=O)oc2c1ccc1oc(/C(=N/O)c3ccccc3)c(-c3ccccc3)c12 2240820 YHXRZQHNXHLRMK-WNAAXNPUSA-N 395.414 5.741 30 40 GKEB C(/C=C/N(c1ccccc1)c1ccccc1)=[N+](c1ccccc1)c1ccccc1 2380651 AXEAYSGJVLEVER-UHFFFAOYSA-N 375.495 6.944 30 40 GKEB CCCCCCCCCCCn1c2nc3ccccc3nc2c2cccc(C)c21 2396337 YLZPNEKEPDGWKB-UHFFFAOYSA-N 387.571 7.577 30 40 GKEB COc1ccc(Sc2ccc(NC(=O)c3cccc(Cl)c3)cc2C#N)cc1 3104534 XJMZRHHWZAOCMJ-UHFFFAOYSA-N 394.883 5.624 30 40 GKEB CCOc1cc(/C=N/c2ccc(CC)cc2)ccc1OCc1cccc(Cl)c1 8084905 BSQNNWHXIGOMRM-WGOQTCKBSA-N 393.914 6.631 30 40 GKEB Cc1n[nH]c2c1[C@H](c1ccc(Cl)cc1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 18197794 AQQLIJICJLICLL-YJYMSZOUSA-N 395.915 5.391 30 40 GKEB CCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103525628 BAPCLWAMFFPRML-UHFFFAOYSA-N 396.284 7.231 30 40 GKEB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H]5O[C@@H]5C[C@]4(C)[C@H]3CC[C@@]21C 118914069 AKTPAJMBVLOPJG-BZYDGCPMSA-N 386.664 7.485 30 40 GKEB Cc1cc(C=C2C(=O)c3ccccc3C2=O)cc(C)c1OCc1ccc(F)cc1 408859588 VIZWBKNXWAEXBU-UHFFFAOYSA-N 386.422 5.484 30 40 GKEB Fc1ccc(COc2cccc(/C=N\c3ccc(Oc4ccccc4)cc3)c2)cc1 409202130 PBLXBTWEQZIXHQ-VEILYXNESA-N 397.449 6.948 30 40 GKEB C/C(=C\C(=O)c1ccc(C)o1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 409363021 SUEJWGSMBFGFAZ-WEVVVXLNSA-N 377.284 5.824 30 40 GKEB CC(C)(C)c1ccc(C(/N=C(\O)c2ccccc2)/N=C(\O)c2ccccc2)cc1 3305565 JEXXCIQRPCCCCG-UHFFFAOYSA-N 386.495 5.992 30 40 GKEB C[C@@H]1CCc2sc(NC(=O)c3ccc(Oc4ccccc4)cc3)c(C#N)c2C1 4070080 FRSSLBAWTIXZQW-OAHLLOKOSA-N 388.492 5.789 30 40 GKEB Cc1ccc(C(=O)O/N=C(\c2ccc(F)cc2)[C@@H]2C[C@H]2c2ccc(C)cc2)cc1 5617815 FDJQKCHTNAWAAI-MIHXGWCRSA-N 387.454 5.807 30 40 GKEB CC/N=c1\scc(-c2cc(OC)ccc2OC)n1N=C1CCCCCCC1 6378032 XFLRUIYUJHAJGO-DQRAZIAOSA-N 387.549 5.103 30 40 GKEB C=CCn1c(SCc2nc3ccccc3o2)nnc1-c1ccc(Cl)cc1 7784831 HTFPKNMOBSIWMS-UHFFFAOYSA-N 382.876 5.218 30 40 GKEB Cc1ccc2sc(N(Cc3ccccc3)C(=O)c3ccc(C#N)cc3)nc2c1C 8395076 NENQWOSLMHOUAA-UHFFFAOYSA-N 397.503 5.632 30 40 GKEB C/C(=N\Nc1nc(Cl)c(Cl)cc1Cl)c1ccc2ccccc2c1O 13524910 UGJSMDJRUFZCDN-LSFURLLWSA-N 380.662 5.737 30 40 GKEB O=C(Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O)c1ccccc1Cl 13778067 JYOXJKVPYCGPRT-JAIQZWGSSA-N 394.785 5.315 30 40 GKEB CN(C)c1ccc(/C=C2\C(=O)/C(=C/c3ccc(N(C)C)cc3)c3ccccc32)cc1 17355114 LBXCRCFJZWEKDF-WTHRLWDASA-N 394.518 5.483 30 40 GKEB CCN1C(=O)/C(=C\Nc2ccc(C)cc2)S/C1=N\c1ccc(C)c(Cl)c1 17837905 PAGWUPVXCHQLTB-INNVFMJMSA-N 385.920 5.493 30 40 GKEB CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(F)cc(F)c1 18172865 FJWVRMSGWBVEOK-QFIPXVFZSA-N 396.437 5.128 30 40 GKEB Cc1cccc(CSc2nc3c(c(-c4cccs4)c2C#N)CN(C)CC3)c1 19852719 QCENJIAYKQQEPC-UHFFFAOYSA-N 391.565 5.270 30 40 GKEB C=CCOc1cccc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)c1 44883949 ADGNOMSWHAPVSY-UHFFFAOYSA-N 382.312 5.430 30 40 GKEB C=C(C)COc1ccc([C@@H]2SC(C)=Nc3c2c(O)nn3C(C)C)cc1OC 71284080 YPOSAKULRXPOCZ-SFHVURJKSA-N 387.505 5.019 30 40 GKEB CC(C)=NNc1nc2cc(NC(=O)c3ccc(Cl)cc3Cl)ccc2s1 72229804 XGKXTKHEJBFDHX-UHFFFAOYSA-N 393.299 5.663 30 40 GKEB Cc1cc(C)c(/N=C(\O)CN(C)Cc2ncc(-c3ccc(F)cc3)o2)c(C)c1 82111805 BWHYWSKENLRYDG-UHFFFAOYSA-N 381.451 5.126 30 40 GKEB Cc1cccc(/C=N\c2ccc3oc(-c4ccc5ccccc5c4)nc3c2)c1O 100108633 URXAHYOQAWYPDC-YSMPRRRNSA-N 378.431 6.413 30 40 GKEB COc1ccc(C(=O)/C=C\Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 100662136 TWLQYCWKGFVEDO-SREVYHEPSA-N 389.295 5.541 30 40 GKEB CCCCCCCc1nnc(SCC(=O)Nc2ccc(C)c(Cl)c2)n1C 408560559 KTRKMSMVGRDBQE-UHFFFAOYSA-N 394.972 5.021 30 40 GKEB Clc1ccc(Sc2oc(/C=N/c3ccccc3)cc2Br)cc1 408859565 YGLNKBFZJPTZKM-RGVLZGJSSA-N 392.705 6.597 30 40 GKEB CCN1C(=O)/C(=C\c2ccc(OCC(C)C)cc2)S/C1=N\c1ccc(C)cc1 408911551 ZWSXEAFOXLJAHX-NFEGURHZSA-N 394.540 5.654 30 40 GKEB Cc1cc(C)cc(N=C2S/C(=C\c3ccc(N4CCCC4)cc3)C(=O)N2C)c1 408960344 LADFJPYAIKSTAJ-IRZHRRCCSA-N 391.540 5.137 30 40 GKEB Cc1cc(C(F)(F)F)c(C#N)c(SCc2ccc(Cl)cc2[N+](=O)[O-])n1 501151324 WRVXACRDLHZULK-UHFFFAOYSA-N 387.770 5.134 30 40 GKEB CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CCC4=C/C(=N/O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 1529022427 QNTASHOAVRSLMD-WXVNLFQRSA-N 399.663 7.858 30 40 GKEB O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)Sc2ccccc21 2062460 HOSWKUYLMWEWBZ-BKUYFWCQSA-N 378.880 6.249 30 40 GKEB O=C(ON=C(c1ccc(F)cc1)c1ccc(F)cc1)C(Cl)=C(Cl)Cl 2163179 IOZBBTFFYLLBHN-UHFFFAOYSA-N 390.600 5.146 30 40 GKEB CCCCCCCC(=O)N[C@@H](Oc1ccc(OC)cc1)C(Cl)(Cl)Cl 3106850 RHLATCIAXTYWHF-INIZCTEOSA-N 396.742 5.247 30 40 GKEB C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccccc1C 3418392 ULVJMNXGHCWXBN-UHFFFAOYSA-N 385.920 5.297 30 40 GKEB CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccnc2)C3=O)cc1 5185463 XSYHCFVWHXEHFS-XKZIYDEJSA-N 399.446 5.215 30 40 GKEB CCCNc1c(Cc2ccc(Cl)cc2)c(C)c(C#N)c2nc3ccccc3n12 5219220 WWWIVMCLHGTUBK-UHFFFAOYSA-N 388.902 5.734 30 40 GKEB Clc1ccc(/C=N/Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 5685070 ZSPQPHXEQPKTOB-BUVRLJJBSA-N 389.911 6.577 30 40 GKEB CC(=O)N(c1ccc(C)c(C)c1)c1nc(/C=C/C(=O)c2ccc(C)cc2)cs1 7717920 FBDMCALFRSWFDB-ZRDIBKRKSA-N 390.508 5.649 30 40 GKEB C=CCc1c(-c2ccccc2)cc(-c2ccc(F)cc2)nc1-c1ccc(F)cc1 16138484 SGPQQJFSYGPCMP-UHFFFAOYSA-N 383.441 7.089 30 40 GKEB N#Cc1nc(-c2cccc3ccccc23)oc1NC[C@H](c1ccco1)N1CCCC1 27562177 QBUAGIPXXFNYCR-OAQYLSRUSA-N 398.466 5.208 30 40 GKEB Cc1cc2cc(C)n(C)c2cc1N/C(=C\C(=O)c1ccccc1)c1ccccc1 35325079 QMIDTVAWQFKRES-ULJHMMPZSA-N 380.491 6.131 30 40 GKEB CCCCCCCCCCCCN[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 101377099 PFWZAJQVLQPZOF-HXUWFJFHSA-N 392.971 5.482 30 40 GKEB N#CCCN(CCC#N)c1ccc(/C=N/c2nc(-c3ccccc3)cs2)cc1 104275660 MSFIHEKOJIPLNC-PCLIKHOPSA-N 385.496 5.194 30 40 GKEB CCCCCCC/C(=N\Nc1ccnc2cc(Cl)ccc12)c1ccc(O)cc1 105866166 UXYHLMLTTIXTCM-YYADALCUSA-N 395.934 6.771 30 40 GKEB C=CCOc1ccc(NC(=O)C(CC=C)(c2ccccc2)c2ccccc2)cn1 225935761 MZRJWEMYTVQKPK-UHFFFAOYSA-N 384.479 5.147 30 40 GKEB COc1cccc(/C=N\c2ccccc2Cl)c1OCc1ccc(C(=O)O)cc1 409187214 NNDCTKRFMCOLQX-CFRMEGHHSA-N 395.842 5.376 30 40 GKEB COc1cc(N2CCOCC2)ccc1/C=N/c1ccc(Nc2ccccc2)cc1 409223942 GSHQSTSJTGCPFP-XIEYBQDHSA-N 387.483 5.026 30 40 GKEB CC1(C)CC(=O)C2=C(C1)[C@H](c1ccccc1[N+](=O)[O-])Nc1cc3ccccc3cc12 727422 VICGYDVSIBUOFV-DEOSSOPVSA-N 398.462 6.058 30 40 GKEB O=C(Oc1ccc(/C=N/C23CC4CC(CC(C4)C2)C3)cc1)c1ccccc1F 4304819 JVKFAKSJDLRDIX-CVKSISIWSA-N 377.459 5.433 30 40 GKEB Cc1ccccc1-c1nnc(SCc2ccc(-c3ccccc3C#N)cc2)o1 14189814 AAXIEKAIWZNYRS-UHFFFAOYSA-N 383.476 5.876 30 40 GKEB O=C1c2ccccc2-c2cc(Cl)c(/N=C\c3c(Cl)cccc3Cl)cc21 17326625 GBYPSPMZGHUMDF-VROXFSQNSA-N 386.665 6.609 30 40 GKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc4nsnc4c3)c2C#N)C1 21595789 PENBPEBWKOWXOX-LBPRGKRZSA-N 396.541 5.028 30 40 GKEB Cc1c(Br)c(/C=N/c2cccc(Cl)c2)c(C)n1-c1ccccc1 59104567 DAFQOILXTLAUBF-WSDLNYQXSA-N 387.708 6.261 30 40 GKEB CCCCCCCCOc1ccccc1-c1nnc(-c2cc(C)cc(C)c2)o1 68569047 KDGSIPABWHDMMR-UHFFFAOYSA-N 378.516 6.760 30 40 GKEB biogenic O=C(ON=C(c1cc2ccccc2o1)c1cc2ccccc2o1)c1ccccc1 68603101 AVGCGMPQTYGVLS-UHFFFAOYSA-N 381.387 5.788 30 40 GKEB biogenic Cc1cc(N(CCC#N)CCC#N)ccc1/N=N\c1ccc(Br)cc1 104283863 DKQSXXDUZJNYDQ-VHXPQNKSSA-N 396.292 5.807 30 40 GKEB CC1CCN(c2ccc([C@@H](C)NC(=S)Nc3ccc(CC#N)cc3)cc2)CC1 225654937 KLWVNLSIVPTBKE-GOSISDBHSA-N 392.572 5.037 30 40 GKEB O=C1/C(=C/c2ccccc2O)S/C(=N\c2ccccc2F)N1C1CCCCC1 408849055 XWZRSDRVNSUIMQ-NJMAKWBESA-N 396.487 5.468 30 40 GKEB CCOC(=O)c1cccc(/N=C\c2cccn2-c2ccc(Br)cc2)c1 408858595 UHXUREZZBKYSQD-HMAPJEAMSA-N 397.272 5.167 30 40 GKEB COc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)ccc1O 408939252 MDLUVSUEKKPUQK-BQMYVMFFSA-N 396.490 5.978 30 40 GKEB C(=N/c1nc(-c2ccc(C3CCCCC3)cc2)cs1)\c1c[nH]c2ccccc12 408980789 XMTVKXOTVQQOPD-CVKSISIWSA-N 385.536 7.090 30 40 GKEB Cc1ccc(Cl)cc1/N=C/c1ccccc1OS(=O)(=O)c1ccccc1 409211595 LWTQEJPSYWNMLV-HYARGMPZSA-N 385.872 5.167 30 40 GKEB CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N1 1018025 BGTPOMVJGXNYOG-OAQYLSRUSA-N 399.918 5.184 30 40 GKEB Cc1cc(/C=N/c2cccc(C(=O)O)c2)c(C)n1-c1ccc(Br)cc1 1095312 UQLMQNKMWQRKNG-WSDLNYQXSA-N 397.272 5.305 30 40 GKEB C=CCN(C[C@@H](O)CN1c2ccccc2Sc2ccccc21)c1ccccc1 2083433 BALXTILGWDXKMW-HXUWFJFHSA-N 388.536 5.343 30 40 GKEB biogenic Cc1ccc(/N=C/c2ccc(OC(=O)c3cccc4ccccc34)cc2)c(C)c1 3112616 NSSJQJVLELZIBJ-WPWMEQJKSA-N 379.459 6.426 30 40 GKEB O=C(/C=C/c1ccccc1)Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O 4064504 QWBCODFVSNRSGO-RIFQWCRFSA-N 394.426 5.478 30 40 GKEB biogenic Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCC3CCCCC3)n2)cc1 4124387 OYHKZBAHVQOKPI-UHFFFAOYSA-N 398.575 7.268 30 40 GKEB CN(C)c1ccc(C2=C3C(=O)CC(C)(C)C[C@H]3c3c(ccc4ccccc34)N2)cc1 4619434 CRVNAPDTFSUEII-NRFANRHFSA-N 396.534 6.215 30 40 GKEB O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(/C=N/NCc2ccc(Cl)cc2)o1 10118810 OSBREHKUIVYJMI-SSDVNMTOSA-N 390.226 5.285 30 40 GKEB CSc1cccc(Nc2nc(SC)nc(-c3ccc(Cl)cc3)c2C#N)c1 19820584 VCDSXJZARCGCCD-UHFFFAOYSA-N 398.944 5.856 30 40 GKEB Cc1ccc(-c2nc(N/N=C/c3cccc4cccnc34)nc3ccccc23)cc1 46085349 IIZUGTLUGDZKRM-JVWAILMASA-N 389.462 5.599 30 40 GKEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4C[C@@]5(C)C[C@@H]4CC(C)(C)C5)[C@H]3C[C@@H]12 85868031 VXTVLBRGOQKEPU-SMIYNLNTSA-N 385.592 5.201 30 40 GKEB O=C1/C(=N\Nc2ccc(Cl)c(Cl)c2)c2ccccc2N1c1ccccc1 100327195 JJOPEZGJGBWELB-CLCOLTQESA-N 382.250 5.488 30 40 GKEB CCCCCCCCCCC(=O)N([C@@H](C)CC(C)C)[C@H]1C[C@H](C)CC(C)(C)C1 104359761 HGOJUIFXBFNCIA-HJOGWXRNSA-N 393.700 7.995 30 40 GKEB N#Cc1ccc(CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1 122225981 JKMSWABGIFNBKZ-UHFFFAOYSA-N 392.267 5.119 30 40 GKEB Cc1oc(/N=C/c2cc(C)n(-c3ccccc3Br)c2C)c(C#N)c1C 408589978 NTGOFTLXSGXEHF-FOKLQQMPSA-N 396.288 5.689 30 40 GKEB CCOc1ccc(/C=N/c2cc(-c3ccc(C)cc3)nn2-c2ccccc2)cc1 408737414 PKMNNGXCAMOCBX-NLRVBDNBSA-N 381.479 5.997 30 40 GKEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3cccc4cnccc34)c2C)cc1 408744146 XBCZJOVXYFXABV-CVKSISIWSA-N 383.451 5.180 30 40 GKEB C=CCn1c(-c2ccccc2)csc1=Nc1ccc(/N=N\c2ccccc2)cc1 584905963 WNPQZMUQUVPQNJ-HDBPCYSCSA-N 396.519 7.050 30 40 GKEB N#Cc1c(-c2cccs2)cc(-c2ccccc2)nc1SCc1ccccc1 1893880 TZFDOXHMDRIYME-UHFFFAOYSA-N 384.529 6.641 30 40 GKEB Cc1sc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c(C#N)c1C 2410890 UEQPLDSSMYARFE-UHFFFAOYSA-N 381.309 6.010 30 40 GKEB COc1cc(Cl)cc(/C=N/c2ccc(-c3nc4ccccc4[nH]3)cc2)c1O 5400283 JIZKDOVBJXMHFC-FSJBWODESA-N 377.831 5.348 30 40 GKEB N#CCCn1cc(/C=C/c2ccc3c([N+](=O)[O-])cccc3n2)c(-c2ccccc2)n1 6652410 QHZPABNRQSBJOL-ZHACJKMWSA-N 395.422 5.091 30 40 GKEB Cc1ccc2nc(-c3ccc(Nc4ccc([N+](=O)[O-])cc4C#N)cc3)sc2c1 8703023 RBYYYPXFWOORQK-UHFFFAOYSA-N 386.436 5.795 30 40 GKEB CCCCCCOc1ccccc1/C=N/N=c1/[nH]c(-c2ccc(C)cc2)cs1 11992773 SWPREOOEKSRDST-LFVJCYFKSA-N 393.556 5.946 30 40 GKEB N#CCCN(CCC#N)c1ccc(/C=N\c2nc(-c3ccccc3)cs2)cc1 18140876 MSFIHEKOJIPLNC-XYGWBWBKSA-N 385.496 5.194 30 40 GKEB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N/c3ccc(Br)cc3)cc21 223496340 MCECXGRQFKLKBG-ZVHZXABRSA-N 397.360 6.610 30 40 GKEB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)c(C#N)c1 225756241 XOQIICKHFMOQIS-SFHVURJKSA-N 376.500 5.576 30 40 GKEB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)c(C#N)c1 225759169 XQALXVLHLLWJRE-LJQANCHMSA-N 390.527 5.885 30 40 GKEB COc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCc1ccc(C)cc1 409211664 MNCAXFKZDIIDCB-AFUMVMLFSA-N 379.887 6.295 30 40 GKEB CCCCOc1ccc(/C=N/NC(=S)Nc2cccc(C)c2C)cc1OCC 3444056 SVRJRFHMFUZDJA-HZHRSRAPSA-N 399.560 5.202 30 40 GKEB Cc1cc(/C=N/c2ccc(Br)cc2)c(C)n1NC(=O)c1ccccc1 8334586 OYHJTAGVIMHDAS-LPYMAVHISA-N 396.288 5.002 30 40 GKEB CCCCCCCCCCOc1ccc(NC(=O)Nc2ccc(OC)cc2)cc1 8385980 XFMRWMPWXSMHFV-UHFFFAOYSA-N 398.547 6.859 30 40 GKEB Cc1ccc(OCc2ccc(-c3nc(C#N)c(N(C)Cc4ccccc4)o3)o2)cc1 8844500 OTSFPJNEZLQRJD-UHFFFAOYSA-N 399.450 5.330 30 40 GKEB C=CCn1c(-c2ccc(C)cc2)c(NC(C)=O)s/c1=N\c1ccc(C)cc1 13777604 PECHGRNZFXIKAJ-GYHWCHFESA-N 377.513 5.210 30 40 GKEB C=CCn1c(SCc2sc3ccccc3c2Cl)nnc1-c1ccccc1 14070875 GMZYQLQWEGQGMX-UHFFFAOYSA-N 397.956 6.292 30 40 GKEB Cc1cc(C)c2oc(-c3cccc(/N=C\c4cc(Cl)ccc4O)c3)nc2c1 16268783 KCXYEAYODRRRCK-MSXFZWOLSA-N 376.843 6.221 30 40 GKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(C)cc2)cc1 18059753 RAISSUUIJUCFNM-QFIPXVFZSA-N 383.447 5.086 30 40 GKEB CCCCCCCCCCCCNC(=O)C1c2ccccc2Oc2ccccc21 97944222 NSMVNULYGHDNQX-UHFFFAOYSA-N 393.571 6.961 30 40 GKEB CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc(C#N)cc1 102484529 LJUAWURLVBLTOC-DEOSSOPVSA-N 399.494 5.761 30 40 GKEB F/C(=C\CC(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103531077 NJQBIJBXMRNULH-IWQZZHSRSA-N 396.093 5.896 30 40 GKEB CCn1c(N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)nc2ccccc21 408692909 YFCLEQPHNQLDDJ-ZVHZXABRSA-N 391.906 5.563 30 40 GKEB Cc1ccc(/N=C\c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1Cl 408811903 MEWAVDHQVARLDL-QFEZKATASA-N 392.886 5.094 30 40 GKEB Cc1cc(I)ccc1/N=C\c1cccn1-c1ccccc1 408852040 QJVHRAWEXFJVAP-MOSHPQCFSA-N 386.236 5.141 30 40 GKEB CCc1ccccc1-n1c(C)cc(/C=N/c2cc(C(=O)OC)ccc2Cl)c1C 408965056 FVIVIERVMUZUOV-AFUMVMLFSA-N 394.902 5.847 30 40 GKEB N#Cc1c(-c2ccc(OCc3ccccc3Cl)cc2)c2c([nH]c1=N)CCCC2 408979752 OIMQYEBFVSHSPV-UHFFFAOYSA-N 389.886 5.144 30 40 GKEB C#CCOc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 409079495 GIECAUDAUNDBMU-SCELWYEFSA-N 376.525 5.533 30 40 GKEB C[C@H]1CCc2c(sc(NC(=O)c3cccc4c(Cl)cccc34)c2C#N)C1 1268468 YWPCPNTZSOAHFV-LBPRGKRZSA-N 380.900 5.803 30 40 GKEB COc1ccc(/C=N/c2ccc(Cl)cc2C(=O)c2ccccc2)c2ccccc12 3194502 OIBMOGZVSGHSTR-JVWAILMASA-N 399.877 6.483 30 40 GKEB CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)/C=C/c3cccs3)cc2)cc1 4852257 AUWAYXIYSJPUEO-CCEZHUSRSA-N 389.520 6.194 30 40 GKEB Cc1ccccc1/N=C/c1c(OCC(=O)Nc2ccccc2)ccc2ccccc12 8570797 ZWKAYLNFKIDARX-WPWMEQJKSA-N 394.474 5.916 30 40 GKEB C=C(C)CSc1nc2c(c(=O)[nH]1)[C@@](C)(C1CCCCC1)Cc1ccccc1-2 9698135 UXUIPHUVIBEZPA-HSZRJFAPSA-N 380.557 5.499 30 40 GKEB CC(=O)Nc1ccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)cc1 13069123 BDDIMBGFRKSCGX-HKWRFOASSA-N 398.487 5.678 30 40 GKEB CC(C)(C)c1ccc(/C=C2\Oc3cc(OC(=O)c4ccco4)ccc3C2=O)cc1 13777652 VCTMLRZVEWOFTI-BKUYFWCQSA-N 388.419 5.413 30 40 GKEB COc1ccc(-c2c(C#N)c(N)nc3c2CCCCC3)cc1COc1ccccc1 19827884 DRUWDULJKBQQKB-UHFFFAOYSA-N 399.494 5.059 30 40 GKEB CCCCCCCCCCCCSCCS(=O)(=O)OCC(F)(F)F 102133997 DXVVSRWWSKBVAA-UHFFFAOYSA-N 392.549 5.549 30 40 GKEB CCCCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1C#N 225755933 UOFHSLWTOLMGME-UHFFFAOYSA-N 376.500 5.578 30 40 GKEB COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)c(OC)c1 408916629 YPKDJTGSIRVJNA-NNSJDREZSA-N 396.512 5.025 30 40 GKEB Cc1nn(-c2ccccc2)c(C)c1/N=C/c1ccc(N(C)C)c(Br)c1 1093679 XSSUPHYXLVWHTF-LPYMAVHISA-N 397.320 5.068 30 40 GKEB O=C1/C(=C\c2ccc(C(F)(F)F)cc2)[C@@H](c2ccccc2)Oc2ccccc21 3324119 UEQXYDVCJHDGTP-PGPKDTDWSA-N 380.365 6.105 30 40 GKEB Cc1ccc(COc2ccc(/C=N/N=c3/sc4ccccc4n3C)cc2)cc1 3418177 PMANUGCIWDKGTP-CFXKOLAESA-N 387.508 5.062 30 40 GKEB N#C[C@]12CCCC[C@@H]1C(c1ccccc1)[C@H]1CCCC[C@]1(C#N)N2c1ccccc1 4729007 KTRYHAULWNUHQF-UDCKCYQBSA-N 395.550 6.196 30 40 GKEB CN1/C(=C/C(=O)CCCOc2ccc(Cl)cc2Cl)Sc2ccccc21 5008922 RURAOYWXHOKXTP-UNOMPAQXSA-N 394.323 5.805 30 40 GKEB Oc1ccc(Cc2ccccc2)cc1/C=N/c1ccc(Cc2ccncc2)cc1 6548555 FWXZVGRODOSSGL-TURZUDJPSA-N 378.475 5.719 30 40 GKEB C=CCN1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3C)o2)SC1=S 13548720 GKYKTLUCJIDGDI-YBEGLDIGSA-N 375.902 5.296 30 40 GKEB C=C1CC2=C(C(=O)CC(C)(C)C2)[C@@H](c2ccc(N(CCC#N)CCC#N)cc2)C1 20120578 ZQRVFALNROUUGX-JOCHJYFZSA-N 387.527 5.440 30 40 GKEB CCCCCCCCCC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 100984566 JUCVVJIFUDFZSU-UHFFFAOYSA-N 383.376 6.803 30 40 GKEB Cc1ccc([C@H](NC(=S)Nc2ccc(CC#N)cc2)c2ccccc2)c(C)c1 225767866 KKGIQMFXMKTKIY-HSZRJFAPSA-N 385.536 5.446 30 40 GKEB CCOc1ccc(/C=C/C(=O)c2ccc(/N=C/c3c[nH]c4ccccc34)cc2)cc1 226761055 COLKUUJNWNLAQF-DLDCDJDYSA-N 394.474 6.213 30 40 GKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(C(C)C)cc2)C(=O)N1CC 408911312 JYAWOAQFUFSZPC-NVZLDUMVSA-N 378.541 5.996 30 40 GKEB Cc1cc(C(=O)O)ccc1/N=C/c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O 409086220 UUFUDPNLQFVQJR-VULFUBBASA-N 389.495 5.617 30 40 GKEB COC(=O)c1ccc(/N=C/c2ccc(Sc3ccc(C)cc3)cc2)c(C)c1 409248645 HPHFHUCIONJHKE-BUVRLJJBSA-N 375.493 5.992 30 40 GKEB C#CCn1c(SCc2c(Cl)cccc2Cl)nc(CCC)c1CCC 4024028 GUBCHJDCPXNREV-UHFFFAOYSA-N 381.372 6.020 30 40 GKEB O=C(/C(=C/c1ccc(Cl)cc1Cl)c1nc2ccccc2[nH]1)c1ccccc1 5072287 ILHIYIPSBPPYLF-ATVHPVEESA-N 393.273 6.293 30 40 GKEB COc1c(Br)cc(Br)cc1/C=N/c1ccc(C)c(C)c1 5417194 DATDFXADHNKJRY-DJKKODMXSA-N 397.110 5.588 30 40 GKEB N#Cc1ccc(COC(=O)[C@H]2CCCC[C@@H]2c2nc3ccccc3s2)cc1 5938687 LFBSULNROOVKIS-ROUUACIJSA-N 376.481 5.185 30 40 GKEB N#Cc1ccccc1Sc1ccccc1C(=O)N[C@@H]1CCCc2ccccc21 7736802 JXTYTMJWODWPKZ-OAQYLSRUSA-N 384.504 5.517 30 40 GKEB C=CCN1C(=O)/C(=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)SC1=S 13899467 DELFEJVYNVIYTJ-YBEGLDIGSA-N 375.902 5.296 30 40 GKEB CCN1C(=O)/C(=C\C=C\c2ccccc2)S/C1=N\c1cccc(Cl)c1C 17167666 WUUBSFGSGJWHLX-YVDNFKOMSA-N 382.916 5.829 30 40 GKEB COc1ccc2c(c1)CCc1sc(/N=C/c3c(O)ccc4ccccc34)nc1-2 59459313 GEKKFMICTHIHAK-ZMOGYAJESA-N 386.476 5.527 30 40 GKEB C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1SCCC#N 95953445 QORMIUNWNICAFA-CYBMUJFWSA-N 376.934 5.465 30 40 GKEB Fc1c(C(F)(F)F)c(C(F)(F)F)c(F)c(C(F)(F)F)c1C(F)(F)F 97949837 HZCKDWWEGHJIPJ-UHFFFAOYSA-N 386.082 6.040 30 40 GKEB CCCCCCCCC/C=C/C(=O)N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 100837402 ZBLYBBCUWIWODA-JKIKYLSZSA-N 393.593 5.306 30 40 GKEB COc1ccc(Cl)cc1/C=C1\SC(=Nc2cccc(Cl)c2C)NC1=O 408737531 CTTRJSHSRIDBKE-SXGWCWSVSA-N 393.295 5.202 30 40 GKEB CCCOc1ccccc1/C=C1/S/C(=N\c2ccccc2CC)N(CC)C1=O 408916058 UHDKYDDPNNSGJV-RERTVAKNSA-N 394.540 5.662 30 40 GKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3cccc(C(C)=O)c3)c2C)c1 408966998 OQGPHWBCOXKSKF-MFKUBSTISA-N 388.467 5.224 30 40 GKEB Cc1ccc(/N=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)cc1Cl 409216263 GTAGMXYSFDXVGX-BRJLIKDPSA-N 388.269 6.771 30 40 GKEB Cc1ccsc1/C=C1/C[C@@H](c2ccccc2)C/C(=C\c2sccc2C)C1=O 585139669 PYDMONRVAWKWEV-ZQUKCHCMSA-N 390.573 7.040 30 40 GKEB Cc1cccc(C)c1NC(=O)[C@H](C#N)Cc1cc2ccc(C)c(C)c2nc1Cl 883110 SFEWMRMQQUCMHL-IBGZPJMESA-N 391.902 5.443 30 40 GKEB CCOc1ccc(C(=O)CC[C@@H]2CCC(c3ccc(OCC)cc3)=CC2=O)cc1 3195461 BGFRADOFOSVVHD-FQEVSTJZSA-N 392.495 5.510 30 40 GKEB CCCCCCCCCCc1ccc(-c2ccc(O[C@H](C)C(=O)O)cc2)cc1 8383573 HNQDWJNHJPITIS-HXUWFJFHSA-N 382.544 6.889 30 40 GKEB CC(C)Oc1ccc(C(=O)/C(=C\c2cccnc2)c2nc3ccccc3o2)cc1 12377896 IMOYZDAINATAKQ-XSFVSMFZSA-N 384.435 5.434 30 40 GKEB N#Cc1cccc(C(=O)/C=C/c2cccc(/C=C/C(=O)c3cccc(C#N)c3)c2)c1 59270248 BATGPFFYYHXOHJ-DCIPZJNNSA-N 388.426 5.222 30 40 GKEB Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C/c2cccn2-c2ccccc2)S1 59302914 LHGAYAZWXJQBFS-UYRXBGFRSA-N 393.899 5.331 30 40 GKEB Oc1ccccc1/N=C(C(=N/c1ccccc1O)/c1ccccc1)\c1ccccc1 103644201 CSKQFTYVPABQDQ-NBHCHVEOSA-N 392.458 6.040 30 40 GKEB Cc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc1 408866579 HEZXUUVVKVTWGX-KUSMGKJMSA-N 390.552 6.178 30 40 GKEB Cc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(Cc3ccccc3)C2=O)cc1 408911285 JUWVLTNZZUBBLS-OQNHBUHUSA-N 398.531 6.108 30 40 GKEB CCOC(=O)c1cccc(/N=C\c2cc(Cl)c(O[C@@H](C)CC)c(OC)c2)c1 409378982 TWMMMFMZTNDKCX-LTOJSDLTSA-N 389.879 5.453 30 40 GKEB FC(F)(F)CNc1ccc(OCCC(F)(F)C(F)(F)C(F)(F)F)cc1 1565673303 RGDUOLZCPPMJBU-UHFFFAOYSA-N 387.217 5.263 30 40 GKEB CC(C)CSc1nc(-c2ccccc2)cc(-c2ccc(Cl)cc2)c1C#N 2073092 ZVMBTVLJUZIYAY-UHFFFAOYSA-N 378.928 6.689 30 40 GKEB O=C(Nc1ccc(Cl)c(Cl)c1)O/N=C/C1=C(Cl)c2ccccc2CC1 4091929 AMWXJQNAKPNFTF-LSHDLFTRSA-N 395.673 6.124 30 40 GKEB Cc1cc(Cl)cc2c1S/C(=C1/Sc3c(C)cc(Cl)cc3C1=O)C2=O 4571293 HUGACAUYNJDGTB-ISLYRVAYSA-N 393.316 6.099 30 40 GKEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C[C@@H]1[C@@H]2C(=O)C=C2CCCC[C@@H]21 4804597 RWSNWUWVSNWYPS-URBOYBQMSA-N 394.599 5.852 30 40 GKEB Cn1c(N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)nc2ccccc21 7343354 KKLKUUVHLJOPEC-SSDVNMTOSA-N 385.254 5.586 30 40 GKEB COc1ccccc1CN/N=C/c1cc(Cl)ccc1OCc1ccc(F)cc1 20762771 YXJQVCLQBCZQJU-VULFUBBASA-N 398.865 5.190 30 40 GKEB O=C(/C=C/c1csc(-c2ccsc2)n1)c1c[nH]c2ccc([N+](=O)[O-])cc12 63412560 ISZQLPSVYILRGQ-DAFODLJHSA-N 381.438 5.157 30 40 GKEB CC[C@]1(C)C[C@@](CC/N=C/c2ccccc2O)(c2ccccc2OC)CCO1 100576218 XTRWYLUNPNUULW-LREFFXPHSA-N 381.516 5.127 30 40 GKEB C=CCOc1ccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc1 225675747 KVZPACCZUWVWMJ-IBGZPJMESA-N 382.529 5.149 30 40 GKEB N#CCc1ccc(NC(=S)NC2(CCc3ccccc3Cl)CCCC2)cc1 225853357 AUDPWIFNQWBHRF-UHFFFAOYSA-N 397.975 5.638 30 40 GKEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)nc1 408749368 GFRXVVCLZVTELQ-AWQFTUOYSA-N 377.187 5.003 30 40 GKEB O=C(Nc1ccccc1)c1c(/N=C\c2cccc(O)c2)sc2c1CCCC2 408851936 BWDSTFFOMRZOPH-UCQKPKSFSA-N 376.481 5.335 30 40 GKEB O=[N+]([O-])c1cccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)c1 408936551 KZSAZSDLQFIKDX-XQUDSNIVSA-N 395.462 6.172 30 40 GKEB COc1cc(/C=N/c2cccc(C)c2C)ccc1OCc1ccccc1Cl 409209836 JITJXICJUGFTRK-AFUMVMLFSA-N 379.887 6.295 30 40 GKEB N#Cc1cc(Oc2ccc(Br)cc2)c(N2CCCCCC2)cc1C#N 1256163 RTPCQYTVRURLND-UHFFFAOYSA-N 396.288 5.365 30 40 GKEB CCOC(=O)[C@H]1C(=O)C=C(c2cccc(OC)c2)C[C@H]1c1ccc(C(C)C)cc1 4919086 PFHATXYHMZUSRK-LADGPHEKSA-N 392.495 5.138 30 40 GKEB Clc1ccc(CN/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1 10118705 BJJFJGPWLKABSD-AFUMVMLFSA-N 385.294 5.696 30 40 GKEB C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]1CC[C@H]2[C@H](C)CCCC(C)C 11592611 QYSXJUFSXHHAJI-NKZFXBMBSA-N 384.648 7.619 30 40 GKEB biogenic,in-vitro COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccncc2)cc1 18106983 JPSRTIPVKBXNMI-BVZFJXPGSA-N 397.478 5.070 30 40 GKEB biogenic,in-vitro CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1c[nH]c2ccccc12 19418922 MOJDXBYRIFTNRC-UHFFFAOYSA-N 388.511 5.141 30 40 GKEB Fc1ccc(-c2ccc(/C=N/N(c3ccccc3)c3ccccc3)o2)cc1Cl 59639106 DPEGCHUNSQMEGN-WGOQTCKBSA-N 390.845 6.911 30 40 GKEB CCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2ccc(C)cc2C)cc1 98001395 LACIDLORPAMJQN-UHFFFAOYSA-N 394.559 6.635 30 40 GKEB biogenic O=C1/C(=C/c2ccc(Cl)cc2)S/C(=N/c2ccccc2)N1C1CCCCC1 100398794 NQJNDERQZNNGKK-PRMAFZJDSA-N 396.943 6.277 30 40 GKEB Cc1cccc(C2(C(=O)Nc3ccc(OCC(C)C)c(C#N)c3)CCCC2)c1 225678895 KXJJCULXGSZKIO-UHFFFAOYSA-N 376.500 5.352 30 40 GKEB Sc1nnc(C2CCCCC2)n1N=Cc1c2ccccc2cc2ccccc12 253617006 TXGKXBYXNQLSSL-UHFFFAOYSA-N 386.524 5.803 30 40 GKEB C(=N/c1ccccc1)\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 408730666 GWKVKURRRKYICY-JBASAIQMSA-N 398.509 7.562 30 40 GKEB FC(F)(F)C(F)(F)C(F)(F)N/N=C\c1c2ccccc2cc2ccccc12 409038962 WGMQRDVZVFWWIQ-KALUYTGESA-N 388.286 5.707 30 40 GKEB Oc1c(Cl)cc(Cl)cc1/C=N/c1cccc(-c2nc3ccccc3s2)c1 3090314 WATIUFORRGZUBG-FOKLQQMPSA-N 399.302 6.726 30 40 GKEB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1)C1=C(CC(C)(C)CC1=O)N2 4665057 PBCGZUSOGHOXAP-JOCHJYFZSA-N 383.495 5.381 30 40 GKEB Cc1[nH]c(=S)c(C#N)c2c1[C@]1(C)CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C2 5259343 FTBSKEZGWHIGHJ-YQYMGQQASA-N 394.584 5.262 30 40 GKEB Cc1csc(N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)n1 5815938 LLWIKQRJIMPBSH-ZVBGSRNCSA-N 392.311 5.783 30 40 GKEB O=C(/C=C/Nc1ccc([N+](=O)[O-])cc1Br)c1cccc2ccccc12 8691138 PIAGCEFBNLBZLU-ZHACJKMWSA-N 397.228 5.319 30 40 GKEB Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)/C=C/c1ccc(N(C)C)cc1 58196689 NIQWJSUUPVGXFO-OBGWFSINSA-N 392.502 6.172 30 40 GKEB O=[N+]([O-])c1ccc(-c2ccc(/C=N/Nc3ccccc3)o2)c(Br)c1 58625456 RMDGFGKPAMKDNS-YBFXNURJSA-N 386.205 5.063 30 40 GKEB Cc1cc(/N=C/c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)ccc1F 59303355 LZHFRBZXBWERDZ-BHGWPJFGSA-N 384.838 5.644 30 40 GKEB N#Cc1nc([C@H]2C[C@H]2c2ccccc2)oc1N1CCC(Cc2ccccc2)CC1 96346654 ZTAYBSVDLKTBQJ-VXKWHMMOSA-N 383.495 5.276 30 40 GKEB C[C@H](NC(=O)COc1ccc(/C=N\c2ccc(Cl)cc2)cc1)c1ccccc1 100093550 FATXRWZGZVPDSR-HAWKZNDISA-N 392.886 5.347 30 40 GKEB C/C=C(C)/C=N/NC(=S)NCCCCCCCCCCCCCCCC 104376665 ZVKYLBOYIWAGJU-JYDIRTDESA-N 381.674 6.884 30 40 GKEB C=CCOc1ccc(NC(=S)NC2(CCc3cccc(C)c3)CCCC2)cc1 225868381 RBVBPJWWJBPYAR-UHFFFAOYSA-N 394.584 5.792 30 40 GKEB Cc1ccc(-c2ccc(/C=N/c3cccc(Br)c3)o2)cc1C(=O)O 408858055 ROSZHCOHTFZXHL-SRZZPIQSSA-N 384.229 5.466 30 40 GKEB Oc1ccc(-n2cccc2/C=N/c2ccc(-c3cc4ccccc4o3)cc2)cc1 409017970 OFNSLVVKJFNIQU-YZSQISJMSA-N 378.431 6.347 30 40 GKEB CCc1ccc(/N=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cc1 409199320 BYVROKNKUYZUHF-HMAPJEAMSA-N 391.383 5.608 30 40 GKEB C[C@H]1CN(C(=O)c2csc3c2CCCC3)/C(=N/c2ccc(Cl)cc2)S1 3430391 UORRYFRRFINENK-UICJJRBLSA-N 390.961 5.546 30 40 GKEB Cc1ccccc1/N=C1/NC(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)S1 5376561 ZYSRVYQIFSIUDI-XDHOZWIPSA-N 394.883 5.800 30 40 GKEB Cc1cccc(C)c1/N=C1\NC(=S)N(CC#N)C12CCC(C(C)(C)C)CC2 6755913 AGXAWLZJNOOBIS-UHFFFAOYSA-N 382.577 5.022 30 40 GKEB COc1ccc(Cl)cc1/N=N/C(Cl)=N\Nc1cc(Cl)ccc1OC 6995675 BUUAUVXEFLODCF-RKKIVZTMSA-N 387.654 5.716 30 40 GKEB CN(C)c1ccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)cc1 12559570 SVJKOIDXRFGFKY-SILNSSARSA-N 384.504 5.786 30 40 GKEB CCCOc1ccc(/C=C2/CCc3c(C)cc(C)cc3C2=O)c(OCCC)c1 33421015 INRBQPHRGZHUNP-HKWRFOASSA-N 378.512 6.094 30 40 GKEB Cc1ccccc1/C=C/C(=O)c1c(-c2ccccc2)c2ccccc2n(C)c1=O 69351891 FVMSSUALMMABKF-WUKNDPDISA-N 379.459 5.410 30 40 GKEB O=C1C(c2ccc(C(F)(F)F)cc2)=C(Nc2cccc(Cl)c2)c2ccccc21 101092687 RORJBHRCXRCJQN-UHFFFAOYSA-N 399.799 6.536 30 40 GKEB COc1ccc(Cl)cc1-n1c(C)cc(/C=N/c2ccc(C(=O)O)cc2)c1C 408911993 PIIOHJYNFRATBO-FSJBWODESA-N 382.847 5.205 30 40 GKEB Cc1ccsc1/C=C1\S/C(=N\c2ccccc2)N(C2CCCCC2)C1=O 408996451 PCEJXFYCPWFVSK-IECUCWQJSA-N 382.554 5.993 30 40 GKEB COc1cc2c(cc1/C=N\c1ccc(C34CC5CC(CC(C5)C3)C4)cc1)OCO2 409075101 UJHAZVMPVIISHS-WGARJPEWSA-N 389.495 5.642 30 40 GKEB C[C@@H]1CCc2nc(SCc3ccccc3F)c(C#N)c(C(F)(F)F)c2C1 663880 BGMWHPVMSKBVNT-LLVKDONJSA-N 380.410 5.528 30 40 GKEB C=CCOc1ccc(/C=C2\SC(=S)N(c3ccccc3OCC)C2=O)cc1 1822950 FQMDXOZTDWTLKI-RGEXLXHISA-N 397.521 5.056 30 40 GKEB C=CCOc1ccccc1[C@H]1Sc2ccccc2NC2=C1C(=O)c1ccccc12 2364599 DCFIQZGWHBBCQK-RUZDIDTESA-N 397.499 6.118 30 40 GKEB Cc1ccc(O)c(/C=N/c2ccc3oc(-c4cccc5ccccc45)nc3c2)c1 3082903 MKVMRHXDUBCDQP-CVKSISIWSA-N 378.431 6.413 30 40 GKEB N#C/C(=N\Nc1ccc2ccccc2c1)c1nc(-c2ccc(Cl)cc2)cs1 4292817 OLBIPSJOEBRMFE-LGUFXXKBSA-N 388.883 5.956 30 40 GKEB Cc1ccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)N=C2S[C@@H](C)C#N)cc1 4462811 JQKFEGYITFLGMZ-WBRURWICSA-N 389.524 5.507 30 40 GKEB N#Cc1ccccc1Sc1ccccc1C(=O)N[C@H]1CCCc2ccccc21 7736801 JXTYTMJWODWPKZ-NRFANRHFSA-N 384.504 5.517 30 40 GKEB Cc1ccc(C(=O)C/C(=C2/CCCc3ccccc3C2=O)c2ccccc2)cc1 12367658 VQAGNRFQGJXVHC-OCOZRVBESA-N 380.487 6.241 30 40 GKEB C=C1[C@@H](C(=O)Nc2cccc3ccccc23)[C@H]1C(=O)Nc1cccc2ccccc12 18205424 NRVBVXXCCOBZLH-PSWAGMNNSA-N 392.458 5.372 30 40 GKEB N=C1S/C(=C\c2ccc(OCc3ccccc3)cc2)C(=O)[C@@H]1c1nccs1 34795241 OSVBKNKNEZYJEN-KNBUONQESA-N 392.505 5.140 30 40 GKEB Cc1ccc(/N=C/c2c(Br)c(C)n(-c3ccccc3)c2C)cc1C 59104979 QJNSGHXODXTGGR-YDZHTSKRSA-N 381.317 6.224 30 40 GKEB O=C(COc1ccc(/C=N\c2ccc(Cl)cc2)cc1)Nc1ccccc1Cl 100397893 GRJONCFITCLQNE-CFRMEGHHSA-N 399.277 5.762 30 40 GKEB O=[N+]([O-])c1cccc(CO/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1 408590167 GKSICALUDXJBHZ-FOKLQQMPSA-N 390.317 5.424 30 40 GKEB Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/Nc2nc3ccccc3[nH]2)c1C 408592634 ZVLSGHMVNIYIHW-FSJBWODESA-N 377.879 5.378 30 40 GKEB Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(Cl)cc1 408787044 PWPFUQXJOOWVQR-PCLIKHOPSA-N 393.918 5.335 30 40 GKEB Cc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 408866577 HEZXUUVVKVTWGX-IEACCXQMSA-N 390.552 6.178 30 40 GKEB CCN(CC)c1ccc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)cc1 409388844 XQMBJEWVVROEDG-WGOQTCKBSA-N 399.450 6.268 30 40 GKEB Clc1cc(Cl)c(OCC#CI)c(Cl)c1Cl 1657422 QGQNNGMYDJQARF-UHFFFAOYSA-N 395.838 5.075 30 40 GKEB Oc1ccc(/N=C/C=C/c2ccc3c(c2)OCO3)cc1-c1nc2ccccc2o1 1953827 WDEPGPUWONSCFP-NABLLQKMSA-N 384.391 5.345 30 40 GKEB C=C(C)Cn1c(SCCC)nc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 2066430 LTVRMYOBGSFANV-AWEZNQCLSA-N 390.618 5.687 30 40 GKEB COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1 4501745 NZPUGXLISXPURB-BUVRLJJBSA-N 390.508 5.638 30 40 GKEB CCOc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(C)c(Cl)c1 4740376 IEPGXNFALAFLIU-RUPJRZHISA-N 396.918 5.800 30 40 GKEB CC1=C(C(=O)c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1 5787371 OIVKUSWMDOLWGJ-MRXNPFEDSA-N 395.673 5.158 30 40 GKEB C/C(=N\Nc1nc(-c2ccccc2)cc(-c2ccc(F)cc2)n1)c1ccc(O)cc1 13303293 NPQUCFHFRGLVNT-LQKURTRISA-N 398.441 5.491 30 40 GKEB C[C@H]1CCc2c(-c3ccccc3)nc(S[C@H]3CCCCC3=O)c(C#N)c2C1 95117614 WQKZEWZCQGTVCD-BTYIYWSLSA-N 376.525 5.349 30 40 GKEB CC1(C)[C@H]2CC[C@@]1(C)/C(=N\Nc1ncc(-c3ccc4ccccc4c3)s1)C2 102447954 OLJYBWWEEIPPRM-PFAPJSFBSA-N 375.541 6.577 30 40 GKEB O=C1/C(=C\c2cccc([N+](=O)[O-])c2)CCCC/C1=C/c1cccc([N+](=O)[O-])c1 102970950 ABJQVFZJAGONOA-WHYMJUELSA-N 378.384 5.113 30 40 GKEB CCCCCCCCOc1ccc(-c2ccc(C(=O)CC(C)=O)cc2)cc1F 103012897 IFJJCNFOIPVDPQ-UHFFFAOYSA-N 384.491 6.394 30 40 GKEB C#CC[N+](CC)(CC)CCNC(=O)CCCCCCCCCCCCCCC 104110129 QWRWUJOBTRYYNJ-UHFFFAOYSA-O 393.680 6.074 30 40 GKEB Oc1cc(/C=N\c2ccc(-c3csc(-c4ccccc4)n3)cc2)nc(S)n1 104119660 RADZMNAAQKLIKB-NHDPSOOVSA-N 390.493 5.012 30 40 GKEB CCCN1C(=O)/C(=C\c2cc(OC)ccc2OC)S/C1=N\c1ccc(C)cc1 408915743 QVDRHZKWDVGKKX-QNQNADBQSA-N 396.512 5.026 30 40 GKEB CCOc1ccccc1/N=C\c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O 409079289 AOMIUOUMCMYASV-QQXSKIMKSA-N 375.512 6.009 30 40 GKEB N#Cc1c(-c2ccccc2F)cc(-c2cccs2)nc1SCC(F)(F)F 712060 BLKQSEICJRJNDI-UHFFFAOYSA-N 394.418 6.142 30 40 GKEB Cc1c(/N=C/c2ccc(-c3ccccc3Cl)o2)c(=O)n(-c2ccccc2)n1C 826105 NDOPNRNVJGFQNL-ZVHZXABRSA-N 391.858 5.148 30 40 GKEB COc1ccc(-c2nc3cc(/N=C/c4cc(Cl)ccc4O)ccc3o2)cc1 859601 RRFRVALTNXGGHY-FSJBWODESA-N 378.815 5.613 30 40 GKEB CC[C@@H](C)Nc1c(Cc2ccc(C)cc2)c(C)c(C#N)c2nc3ccccc3n12 5249022 UBZBIMKORUSOQK-QGZVFWFLSA-N 382.511 5.777 30 40 GKEB O=C1Nc2ccccc2/C1=N\N=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 5738900 VRCXBEWJMNQQJX-LSHDLFTRSA-N 384.222 5.029 30 40 GKEB C/C(=N\OC(=O)Nc1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl 12350482 QCYNMWWZOLJLDN-LIMNOBDPSA-N 392.164 5.380 30 40 GKEB CC1(C)CC(=O)C=C(/C=C/Sc2c(Cl)c(Cl)nc(Cl)c2Cl)C1 16577608 WZTBFQXAKDOOBP-ONEGZZNKSA-N 397.154 6.617 30 40 GKEB CN(CCC(=O)/C(=C\c1ccccc1)c1ccc(Cl)cc1)Cc1ccccc1 17147375 LONJEUANXZHGKA-MOHJPFBDSA-N 389.926 5.972 30 40 GKEB O=C(/C(=N\N=C/c1cc(Cl)cc(Cl)c1O)c1ccccc1)c1ccccc1 25693211 YKJLNWKJYMGYQV-YZZGAWCKSA-N 397.261 5.405 30 40 GKEB CC[C@]1(C)Oc2ccccc2[C@H]2O[C@@](C)(C#CC[N+]3(C)CCCCC3)CC[C@H]21 100745710 RMPGUSXNDYXSIL-VGCGRUFVSA-N 382.568 5.108 30 40 GKEB Cc1cc(/C=N/c2ccc(F)cc2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 100986945 IIYJASRCINIZCD-WYMPLXKRSA-N 396.487 5.622 30 40 GKEB Cc1ccc(C2(C(=O)Nc3ccc(OCC(C)C)cc3C#N)CCCC2)cc1 225680645 SZUVYJMHIDSUCO-UHFFFAOYSA-N 376.500 5.352 30 40 GKEB Cc1cc(/C=N/N(c2ccccc2)c2ccccc2)c(C)n1-c1cccc(Cl)c1 408757562 ZYOKHKPMQFXQRF-OVVQPSECSA-N 399.925 6.920 30 40 GKEB CCc1ccc(-n2c(C)cc(/C=N\c3ccc(Cl)c(C(=O)O)c3)c2C)cc1 408760563 AWHYXSBBXJQFSL-CFRMEGHHSA-N 380.875 5.759 30 40 GKEB CCc1ccccc1/N=C1\S/C(=C/c2cc(Cl)ccc2O)C(=O)N1CC 408908586 FWJLWCATVANMGT-FTIPTLOASA-N 386.904 5.232 30 40 GKEB O=[N+]([O-])c1cccnc1N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1 409105534 KVCFSZTYXKCQNX-MFKUBSTISA-N 398.422 5.168 30 40 GKEB Cc1ccc(/N=C/c2c(OCc3cccc(Cl)c3)ccc3ccccc23)cc1C 409215464 ZJHGINVVXHAARA-LQKURTRISA-N 399.921 7.440 30 40 GKEB C=CCO[C@@H]1CC2(CCN(C(=O)c3ccccc3C)CC2)c2cc(C)ccc21 585105628 KPXSWFNILVWTFZ-HSZRJFAPSA-N 375.512 5.125 30 40 GKEB CCCCCCCn1c(NCc2c(O)ccc3ccccc23)nc2ccccc21 1812999 ZOLWGTLQZLDJRO-UHFFFAOYSA-N 387.527 6.478 30 40 GKEB CCCCC(=O)Nc1cccc(/N=C/c2cc(Br)cc(C)c2O)c1 6396798 SYOFPWRKGLOLQA-CIAFOILYSA-N 389.293 5.342 30 40 GKEB C[C@@H]1CCc2c(sc(NC(=O)Cc3csc(-c4ccccc4)n3)c2C#N)C1 7995732 TYBYNSSRXXAIOD-CYBMUJFWSA-N 393.537 5.049 30 40 GKEB C/C(=N/N=c1/sc2ccccc2n1C)c1ccc(Cl)c(Cl)c1Cl 33695291 QURDNCBCLYLFAO-FZFUHZCNSA-N 384.719 5.525 30 40 GKEB C/C(=N\N(c1ccccc1)c1ccccc1)c1sc2nc(C)nc(C)c2c1C 98054392 YLPRPNWVRUUOLJ-YZSQISJMSA-N 386.524 6.179 30 40 GKEB CCCCCCCCCCCCCCCCCC(=O)N(CCC#N)CCC#N 100933986 YFZCQAHHQVDSFW-UHFFFAOYSA-N 389.628 6.904 30 40 GKEB C=CCN1C(=S)N(c2ccccc2)C(=N/c2ccccc2)/C1=N/c1ccccc1 101226833 XRJOFDSEIGPUQY-OQVOIMAYSA-N 396.519 5.740 30 40 GKEB CCCCCCCCCCOC(=O)C[N+](C)(C)C1C2CC3CC(C2)CC1C3 101507981 IGVXNZSXWAXMQZ-UHFFFAOYSA-N 378.621 5.571 30 40 GKEB N#Cc1cn(C(=O)c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)c2ccccc12 226361897 YAPYXBDMNAPEOS-UHFFFAOYSA-N 391.770 5.023 30 40 GKEB CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2ccc(Cl)cc2)NC1=O 408824002 OYGQVDABSXNVJL-YBEGLDIGSA-N 393.295 5.284 30 40 GKEB Cc1ccc(/N=C2\S/C(=C/c3cccc([N+](=O)[O-])c3)C(=O)N2CC(C)C)cc1 408912858 LZGVCOAKTUPXMD-FOLIBTTPSA-N 395.484 5.163 30 40 GKEB CCN(CC)c1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 409092531 WVLFZJOYNBBHSJ-CVLFLDGLSA-N 393.600 6.368 30 40 GKEB COc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OCc1cccc(F)c1 409199388 CQOAHULIOJTZHG-LGJNPRDNSA-N 397.877 6.434 30 40 GKEB FC(F)(F)CNc1cccc(OCCC(F)(F)C(F)(F)C(F)(F)F)c1 1565673305 SHUZWVQNHFIACM-UHFFFAOYSA-N 387.217 5.263 30 40 GKEB Cc1ccc([C@@H]2CC(=O)N(c3ccc(F)cc3F)C3=C2C(=O)CC(C)(C)C3)cc1 1079609 VARHKNLJRWRLBV-KRWDZBQOSA-N 395.449 5.437 30 40 GKEB C=CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)c1cccc2ccccc12 6760252 FDNQVCQCRMVMDY-UHFFFAOYSA-N 383.451 5.027 30 40 GKEB CC(C)(C)C1C/C(=C/c2ccc(Cl)cc2)C(=O)/C(=C/c2ccc(Cl)cc2)C1 17281858 WPNOEKXQCHCHPF-MGYAYREDSA-N 399.361 7.486 30 40 GKEB C=CCc1cc(/C=N/c2ccc(Br)c(Cl)c2)cc(OCC)c1O 59249442 BYNIKLQXFDJCNA-SRZZPIQSSA-N 394.696 5.686 30 40 GKEB CCCCCCCC/C=C\CCCCCCCC(=O)ON1C(=O)CCC1=O 60329216 MAKGRQMFNNEEKW-KTKRTIGZSA-N 379.541 5.631 30 40 GKEB in-vitro CCCCOc1ccc(C(=O)O/N=C(/C)c2ccc(-n3cccc3)cc2)cc1 96191687 WLYJONHTEJPPJF-MOHJPFBDSA-N 376.456 5.237 30 40 GKEB C(=N/c1ccc(Oc2ccccc2)cc1)\c1ccc(OCc2ccccc2)cc1 100031997 UFTBZWQSACUCBI-ZXVVBBHZSA-N 379.459 6.809 30 40 GKEB CCCCCCCCCC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103530779 RAQFLOSJQUOABH-VAWYXSNFSA-N 386.342 7.542 30 40 GKEB C=CCN(c1cccc(Cl)c1C)S(=O)(=O)c1cc(Cl)ccc1Cl 224935871 FQOYEQICGJVWHE-UHFFFAOYSA-N 390.719 5.337 30 40 GKEB COc1ccc2c(c1)Cc1sc(/N=C\c3cccc(Br)c3)nc1-2 409043129 PYZZSOJLONNDJP-JMIUGGIZSA-N 385.286 5.236 30 40 GKEB C=CCN1C(=O)S/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C1=O 409099072 PXEKJDVSOXHASD-OQLLNIDSSA-N 380.252 5.476 30 40 GKEB C=CCc1cc(CNc2ccccc2)cc(OC)c1OCc1ccc(F)cc1 409114463 HRRLNRDFHMFBRJ-UHFFFAOYSA-N 377.459 5.754 30 40 GKEB CCC[C@@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(O)C#Cc1ccccc1 4836803 LIEJILKXNSLXJY-JUDWXZBOSA-N 395.546 5.661 30 40 GKEB C=CCSc1nsc(NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1 4898405 MBSIBKBGHWCRIX-UHFFFAOYSA-N 394.831 5.132 30 40 GKEB COc1cc(/C=N/c2ccccc2C)cc(Cl)c1OCc1ccccc1F 8570833 ONVUPXPKUBANNV-DHRITJCHSA-N 383.850 6.126 30 40 GKEB CCCCCCCCCCCCN[C@@H](c1ccccc1)[C@@H](O)c1ccccc1 104347859 OXGAUKCISNQVTM-UIOOFZCWSA-N 381.604 6.972 30 40 GKEB Cc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc2ccccc2c1 408589634 FFBVSPFFEMWLDV-MFKUBSTISA-N 399.450 5.706 30 40 GKEB Cc1c(/C=N/OCc2ccccc2C#N)c2ccccc2n1Cc1ccccc1F 408592137 LEJFTAOVPACYFK-RWPZCVJISA-N 397.453 5.560 30 40 GKEB CCN1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)S/C1=N/c1ccc(OC)cc1 409241761 YKHNTHQAVYSNHZ-WJGQKVTCSA-N 394.540 5.617 30 40 GKEB Cc1ccc(/N=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1Cl 793475 BWKWFDPGFLDBGO-UFFVCSGVSA-N 375.211 6.221 30 40 GKEB C=CCn1c(SCc2ccc(Cl)cc2Cl)nc(C(F)(F)F)cc1=O 1403053 KCTAVLMNFRVERJ-UHFFFAOYSA-N 395.233 5.047 30 40 GKEB C[C@@H]1[C@H](c2ccccc2)N(C)[C@@H](c2ccccc2)[C@@H](C)C1(O)C#Cc1ccccc1 3771909 HMVLFUWQWMPWKQ-IKAXQFJBSA-N 395.546 5.469 30 40 GKEB Cc1ccccc1/C=N/Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 4478013 CVGDXCKNRYXARR-LFVJCYFKSA-N 395.470 5.113 30 40 GKEB CC[C@H](C)/N=C1/Sc2nc3cc(C)c(C)cc3cc2CN1Cc1cccs1 4858992 DDKNVRDBLKXKIJ-LSJZCYCUSA-N 395.597 6.176 30 40 GKEB C=CCn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccc(Cl)cc1 4905826 QLMQOPPGJGXSFZ-UHFFFAOYSA-N 383.904 5.120 30 40 GKEB CCCCCn1nc(C)c(/C=N/Nc2c(Cl)cc(Cl)cc2Cl)c1C 5602378 NYQHAEHRBDTUDG-UFFVCSGVSA-N 387.742 6.096 30 40 GKEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc4ncccc4c3)c2C)cc1 5739669 JIIZUKOPZXCTIA-CVKSISIWSA-N 383.451 5.180 30 40 GKEB CCOc1c(Cl)cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1Cl 6958107 GEIMFJVCWQFSAB-ZVHZXABRSA-N 386.278 6.935 30 40 GKEB O=C(/C=C/Nc1cccc(Br)c1)c1ccc(Br)cc1 32100155 RIMYXXXIHLQJRQ-CMDGGOBGSA-N 381.067 5.020 30 40 GKEB CCc1ccc(/C=C2/CC(C(C)(C)C)C/C(=C/c3ccc(CC)cc3)C2=O)cc1 33424141 MRIZSTLVRHLDLB-YFJQDTPYSA-N 386.579 7.304 30 40 GKEB N#C[C@H](C(=O)c1cccc2ccccc12)c1nc2cc(C(F)(F)F)ccc2s1 84598244 VDVBRMAHFMLSDR-MRXNPFEDSA-N 396.393 5.958 30 40 GKEB Cc1c(/C=N/N=C2/CC[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@]23C)cnn1C 98087411 FTSQLIABFSZKPD-CNCYVJBZSA-N 394.607 5.936 30 40 GKEB Cc1ccccc1/N=C(\Cl)C(Cl)(Cl)/C(Cl)=N\c1ccccc1C 100499100 PAVJMALQWBRQBE-XRBXDRSNSA-N 388.125 6.715 30 40 GKEB CCCCCCCCCCOC(=O)CSc1nc2ccc(OCC)cc2[nH]1 100835255 OTXURFKJJLPOBS-UHFFFAOYSA-N 392.565 5.738 30 40 GKEB CCCCCCCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 102568150 XJDUCLDCUQYGMY-UHFFFAOYSA-N 380.359 6.632 30 40 GKEB C=CCOc1cccc(NC(=S)N[C@H](c2ccccc2)c2cccc(C)c2)c1 225700967 KLVATMHUSFYRLE-HSZRJFAPSA-N 388.536 5.636 30 40 GKEB N#Cc1c(N)nc(SCc2ccc(Cl)cc2Cl)nc1C1CCCCC1 225895047 CBMXPTLWSREVDE-UHFFFAOYSA-N 393.343 5.577 30 40 GKEB COC(=O)c1cccc(Cn2cc(/C=N/c3ccccc3OC)c3ccccc32)c1 408544841 XVONIMAVWSDMKJ-CVKSISIWSA-N 398.462 5.235 30 40 GKEB Cc1ccc(-n2c(C)cc(/C=N/c3ccc(Br)cc3C)c2C)cc1 408738227 JJBTXEVIMVVYIJ-YDZHTSKRSA-N 381.317 6.224 30 40 GKEB C#CCOc1ccc2ccccc2c1/C=C1/SC(=Nc2ccc(C)cc2)NC1=O 408964332 GEASAWONMUJCFP-PXLXIMEGSA-N 398.487 5.052 30 40 GKEB C/C(=N\Nc1nc(-c2ccc(C)c(C)c2)c(-c2ccccc2)s1)c1ccccc1 408976134 PMEXFLAGACPYFD-ZXVVBBHZSA-N 397.547 6.930 30 40 GKEB Cc1cc(/C=N/OCc2ccccc2)c(C)n1-c1sc2c(c1C#N)CCCC2 409001196 VHUXHFBXDIYBBH-AFUMVMLFSA-N 389.524 5.457 30 40 GKEB COc1ccc(C(=O)/C=C(\C)Nc2ccc(Oc3ccccc3Cl)cc2)cc1 409104514 JIORRJCPIIPLAL-FOCLMDBBSA-N 393.870 6.340 30 40 GKEB FC(F)(F)c1ccccc1-c1ccc(/C=N/Nc2nc3ccccc3s2)o1 409215741 ANRQDKYKYMGKMC-FOKLQQMPSA-N 387.386 6.021 30 40 GKEB C=CCn1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccc(F)cc1 2431313 UDNQPBMNJPIPTK-UHFFFAOYSA-N 394.302 5.869 30 40 GKEB CCCOc1ccc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CCC3)cc1 2458443 IMMBHBGOCNEOIO-VWLOTQADSA-N 384.479 5.697 30 40 GKEB CCCCN(CCCC)c1ccc(/C=C2\N=C(SCC)SC2=O)cc1 4123994 FEVQUZYABRKFCU-SDXDJHTJSA-N 376.591 5.817 30 40 GKEB Cc1cccc(N/N=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)c1 4175326 JAZMBECKCVMXTB-XAYXJRQQSA-N 394.503 6.125 30 40 GKEB O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1ccco1)Nc1ccccc1N2 4973551 JIXXSAROIHSYJS-WNSKOXEYSA-N 390.870 5.913 30 40 GKEB CCc1ccc(-n2c(SCc3ccccc3C#N)nnc2-c2ccncc2)cc1 6570443 BNVQRKAYLOTZAH-UHFFFAOYSA-N 397.507 5.056 30 40 GKEB C/C(=N\Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(C(C)(C)C)cc1 7026630 IDDOMKWPPWDHTL-FSJBWODESA-N 379.382 5.747 30 40 GKEB CC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cccc(OCCC(C)C)c1 20797254 JGTCWGFIHAVQGK-HSZRJFAPSA-N 389.499 5.339 30 40 GKEB Cc1ccc(NC(=O)c2ccc(N/N=C3/CCCC[C@H]3C)c([N+](=O)[O-])c2)cc1 28615456 KUYJRVDKGSMKAV-VKWHMPGMSA-N 380.448 5.134 30 40 GKEB C/C(=C\C(=O)c1ccc(Br)cc1)Nc1ccccc1C(F)(F)F 32194185 IFZHYMALFYPSGD-ZHACJKMWSA-N 384.195 5.667 30 40 GKEB CCCCCCCCCCOc1ccc(C(=O)Oc2ccc(/C=N/O)cc2)cc1 59663657 KOZFANVMPJYGDK-NCELDCMTSA-N 397.515 6.233 30 40 GKEB COc1ccc(C2=C(Nc3ccc(F)cc3)c3ccccc3C2=O)cc1OC 100938262 HZKBIQMEWFZLFN-UHFFFAOYSA-N 375.399 5.020 30 40 GKEB Brc1ccc(/C=N/c2ccc3nc(-c4ccccc4)oc3c2)cc1 101057136 NMPHJDCQOROWTL-LPYMAVHISA-N 377.241 6.008 30 40 GKEB C=C(C)C[C@H]1N[C@@H]2CC(C)(C)[C@@H]1c1c(Br)ccc(Br)c12 102571096 LQZVTORZIAYQLZ-IOASZLSFSA-N 399.170 5.704 30 40 GKEB N#Cc1ccccc1COc1ccccc1[C@@H](C[N+](=O)[O-])c1c[nH]c2ccccc12 408565466 CAAOSPKBOVNEBX-JOCHJYFZSA-N 397.434 5.027 30 40 GKEB COc1ccc(/C=C2\SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1C 408769315 QTJFGUQJBBMZNA-DHDCSXOGSA-N 393.295 5.202 30 40 GKEB CCCN1C(=O)/C(=C\c2ccc(OC)cc2OC)S/C1=N\c1ccc(C)cc1 408916427 XJSIMLXHYNYUCK-DYEBMTOPSA-N 396.512 5.026 30 40 GKEB Fc1ccc(COc2cccc(/C=N\Nc3ccc(C(F)(F)F)cc3)c2)cc1 408940664 VFIFNTFCQJAEBM-ZMFRSBBQSA-N 388.364 5.870 30 40 GKEB C=CCOc1ccc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc1OCC 409105052 IEKSGROGJZZLOF-YBEGLDIGSA-N 389.373 5.162 30 40 GKEB C=CCOc1c(Cl)cc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)cc1OC 409121982 XXMRMYYOOIJMIK-WQRHYEAKSA-N 397.902 5.457 30 40 GKEB Cc1cccc(/N=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)c1C 409203025 UTDHBWPBUFHXLK-DHRITJCHSA-N 384.306 6.940 30 40 GKEB CC(C)(C)Oc1ccccc1/C=N/n1c(-c2ccccc2)nc2ccccc2c1=O 1531383827 ADPXUPSGSNEUJW-YZSQISJMSA-N 397.478 5.123 30 40 GKEB COc1ccc(O)c([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)c1 803548 HLHWFYDUGFSXFW-QHCPKHFHSA-N 392.499 5.240 30 40 GKEB CC(C)(C)c1cc(Cl)c(O)c(/N=C/c2cc(Cc3ccccc3)ccc2O)c1 1924032 VTLTUYIEKGDLAU-CVKSISIWSA-N 393.914 6.390 30 40 GKEB C=CCn1c(SCCC(C)C)nc2sc3c(c2c1=O)CCc1ccccc1-3 2331436 RMSGVQJHIXPMAP-UHFFFAOYSA-N 396.581 5.548 30 40 GKEB C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nc2ccccc2c1=O 3336705 AYGHEJPFCWRCON-UHFFFAOYSA-N 377.296 5.182 30 40 GKEB COc1cccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3[nH]2)c1OC 5071895 XKJWGFBEWYDGLK-SDXDJHTJSA-N 384.435 5.004 30 40 GKEB Cc1ccc(C)c(COc2ccc3c(c2)O/C(=C\c2sccc2C)C3=O)c1 5164847 IQGLJGYVSLMCFE-MTJSOVHGSA-N 376.477 5.869 30 40 GKEB CCOc1ccc(/N=C/c2cc(Br)c(O)c(Br)c2)cc1 6962097 ZXKGGELSTPVYBS-GIJQJNRQSA-N 399.082 5.067 30 40 GKEB CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@@H](CO)OC(C)=O 14953248 PWTCCMJTPHCGMS-NELJVSICSA-N 398.584 5.491 30 40 GKEB in-vitro O=C(/C(=C/c1ccccc1)Oc1ccc(S[N+](=O)[O-])cc1)c1ccccc1 17020882 XGQUMYGHPCRBAK-HKWRFOASSA-N 377.421 5.273 30 40 GKEB Cc1ccc(/N=C2\S/C(=C/c3cccc(Cl)c3Cl)C(=O)N2C)cc1 38361158 VYWYTGUOCAFCCO-XYGVBGMQSA-N 377.296 5.536 30 40 GKEB Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)C[C@H]1C[C@@H]2CC[C@@H]1C2 102810290 HGTLEWYPYWLQSE-NJDAHSKKSA-N 376.475 5.365 30 40 GKEB Cc1cc(/N=C\c2ccc(Cl)cc2)c(/N=C\c2ccc(Cl)cc2)cc1C 104153334 HTRIWMYBNMNFQO-WFBNZKAHSA-N 381.306 7.111 30 40 GKEB CCc1ccccc1-n1c(C)cc(/C=N/c2cccc(Br)c2)c1C 197665858 RRIFYGFQHJPJQU-OEAKJJBVSA-N 381.317 6.170 30 40 GKEB N#Cc1cn(C(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)o2)c2ccccc12 226361981 URBSQIWLNWDAFC-UHFFFAOYSA-N 381.218 5.768 30 40 GKEB C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccccc1F)C2=O 253498423 GEMAOHATSXXMSE-JUOXFRPISA-N 394.530 5.712 30 40 GKEB COC(=O)c1cccc(Cn2cc(/C=N\c3ccccc3C)c3ccccc32)c1 408543109 PAQNNNYQXVDFQB-YSMPRRRNSA-N 382.463 5.535 30 40 GKEB COc1ccccc1Oc1ccc(N/C(C)=C/C(=O)c2ccc(Cl)cc2)cc1 409099761 UAGVUHRRMOYVAV-FOCLMDBBSA-N 393.870 6.340 30 40 GKEB Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccccc2F)cc1Cl 409209407 GSMWUVLIPZCFEL-BRJLIKDPSA-N 388.269 6.771 30 40 GKEB COc1ccc(Oc2ccc(/N=C/c3cc(C)n(-c4ccccn4)c3C)cc2)cc1 409235402 PFLBULQIGOJDMO-WPWMEQJKSA-N 397.478 6.041 30 40 GKEB Cc1cc(/C=N/c2cccc(-c3nc4ccc(C)cc4o3)c2)c(O)c([N+](=O)[O-])c1 3162668 VMGUYAHLVHOMHN-FSJBWODESA-N 387.395 5.476 30 40 GKEB C=CCn1c(SCC(=O)c2ccc3ccccc3c2)nnc1-c1ccccc1 3405462 KIHGZMPTLSAIIJ-UHFFFAOYSA-N 385.492 5.259 30 40 GKEB Cc1nc(SCC(=O)Nc2cccc3ccccc23)c(C#N)c(C)c1Cl 3617949 DTBXYQHBQMAUKX-UHFFFAOYSA-N 381.888 5.108 30 40 GKEB C=C[C@@](C)(CC[C@@H]1C(=C)C[C@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@@]21C)OC(C)=O 4104730 CFEOXVWJRPHLSF-KTMUCGRXSA-N 390.564 5.615 30 40 GKEB biogenic,in-vitro N#C/C(=N/Nc1cccc2ccccc12)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 4175466 UHNPOQIHSJHIOB-PLRJNAJWSA-N 399.435 5.211 30 40 GKEB Cc1ccc([C@H]2C[C@@H]2/C(=N/OC(=O)c2ccc(F)cc2)c2ccc(F)cc2)cc1 5617842 KNKPFWPHMRAHPE-QNAGCXKLSA-N 391.417 5.638 30 40 GKEB O=C(/C=C/c1ccccc1Br)c1ccc2c(c1)-c1ccccc1C2 6049149 IMRAIRWKLDMYJK-VAWYXSNFSA-N 375.265 5.916 30 40 GKEB C=Cc1ccc(COc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1 12662466 IYZRJSRSJMEUSY-AJRXITOCSA-N 380.443 6.081 30 40 GKEB biogenic O=C1/C(=C/c2ccccc2Cl)SC(=S)N1/N=C/c1ccccc1Cl 15224335 WUNQDMMWCMBXTO-ZMSCOZPXSA-N 393.320 5.229 30 40 GKEB Cc1ccc(CN2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)cc1 15826363 HKWQLVCJUOLILE-VWLOTQADSA-N 384.479 5.769 30 40 GKEB C=CCSc1nc(-c2ccc(Br)cc2)cc(C(F)(F)F)c1C#N 16732270 KPGXZIFOTCJDPU-UHFFFAOYSA-N 399.235 5.680 30 40 GKEB CCCCCCCC/C=C/CCCCCCCC(=O)OCCCCCC(C)C 80274257 SAUIGQBKPDQYHL-VAWYXSNFSA-N 394.684 8.784 30 40 GKEB Cc1ccc(/N=C2/C/C(=N/c3ccc(C)c(Cl)c3)c3ccccc32)cc1Cl 100105800 SOASIOGZFDHVKO-VDUNRZOZSA-N 393.317 7.256 30 40 GKEB Cc1ccc(/C(=N/C(=O)c2cc([N+](=O)[O-])ccc2Cl)c2ccccc2)cc1 102946575 JMKNYXXXOGVVPM-BSYVCWPDSA-N 378.815 5.234 30 40 GKEB CC/N=C1/C=C/C(=C(\c2ccc(NCC)c(C)c2)c2ccccc2Cl)C=C1C 104380950 TVKGDNHBYVWSOH-JCEJPHOFSA-N 390.958 6.859 30 40 GKEB Cc1ccc(N=C2O[P@@](=O)(Nc3ccc(C)cc3)Oc3ccccc32)cc1 301054412 IRMJWRVBPJNKOB-HHHXNRCGSA-N 378.368 6.011 30 40 GKEB O=C1/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)Sc2ccccc21 408807051 BVSXPXLKJMFPQY-QRVIBDJDSA-N 385.463 6.158 30 40 GKEB COc1ccccc1NC(=O)COc1ccc(/C=N\c2ccccc2Cl)cc1 408812641 MEZBEZSFYHONLF-OYKKKHCWSA-N 394.858 5.117 30 40 GKEB F/C(=C/CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 575330451 NKICAISSEJQIBN-HNQUOIGGSA-N 396.093 5.896 30 40 GKEB CC1(C)CC(=O)c2cc(C#N)c(SCc3ccc(Cl)c(Cl)c3)nc2C1 727982 DXBCRRSOMGLTIR-UHFFFAOYSA-N 391.323 5.707 30 40 GKEB Oc1c(Br)cc(Cl)cc1/C=N/c1cccc(Cl)c1Cl 1054224 KXNSKBLVBGMCRU-NGYBGAFCSA-N 379.468 5.866 30 40 GKEB CCOc1ccc(/N=C2/C(=O)N3c4c2cc(OCC)cc4[C@H](C)CC3(C)C)cc1 1409956 NYNRNYMZNADYAA-YUBSNBEWSA-N 392.499 5.237 30 40 GKEB O=C1/C(=C/c2ccc(-c3ccccc3)cc2)Oc2cc(OC(=O)C3CC3)ccc21 2413339 XTWGUMDIBPGCNU-UCQKPKSFSA-N 382.415 5.285 30 40 GKEB C/C(=N\Nc1ccc(Cl)c(C(=O)O)c1)c1ccc(Cl)c(Cl)c1Cl 4924174 RRKKBLNQTCDRGG-IFRROFPPSA-N 392.069 5.835 30 40 GKEB CCOc1ccc(N/N=C(/C#N)c2nc(-c3cccc4ccccc34)cs2)cc1 5023511 SWTFROYCDZZIIM-MEFGMAGPSA-N 398.491 5.702 30 40 GKEB COc1ccc(/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1 8116610 RDJMEKONZIBZAU-OEAKJJBVSA-N 396.284 5.787 30 40 GKEB O=C1/C(=C\c2ccccc2OC(F)F)CC/C1=C/c1ccccc1OC(F)F 33352656 YHNLUJGQHPSSDO-NFLUSIDLSA-N 392.348 5.719 30 40 GKEB N#Cc1cccc(-c2cc(-c3ccccc3)c3cc(Br)ccc3n2)c1 89851111 VZZUOUBONAJKQF-UHFFFAOYSA-N 385.264 6.203 30 40 GKEB CCCCCCCCCCCCN[C@@H]1CCCCCCCCCC/C1=N\O 100932117 ZWOMVAZXTJSHAI-LIZHXUNESA-N 380.661 7.610 30 40 GKEB C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(O)C#Cc1ccccc1 118915135 LZYLYVQWNIUJNH-YOYLUOPQSA-N 392.583 5.173 30 40 GKEB C=C1C=C2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@@H]4[C@@H](C)CCCC(C)C)[C@@]2(C)CC1 118931020 DRCYUNZSUMDTCY-IXTGJRFUSA-N 382.676 8.584 30 40 GKEB OCCCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F 169795587 FFYYEYSIWIEPEL-UHFFFAOYSA-N 392.155 5.093 30 40 GKEB Cc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(C)n1-c1ccccc1Cl 408592663 NHGDPFQJJWWKEJ-WSDLNYQXSA-N 383.835 5.206 30 40 GKEB O=C1/C(=C/c2cccc(Cl)c2)S/C(=N\c2ccccc2)N1c1ccccc1 408735192 LRDHHRAQOPTETA-WELATPIXSA-N 390.895 6.149 30 40 GKEB COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OCc1cccc(C)c1 408915545 XOHDMMQARMFYJN-UHFFFAOYSA-N 384.431 5.045 30 40 GKEB COc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OCc1ccccc1 409216206 ISAMSJCHSISDJI-AFUMVMLFSA-N 379.887 6.295 30 40 GKEB CCN1C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)S/C1=N/c1ccc(F)cc1 409238904 OIKNZUAYQXRNPI-UGUJKLNUSA-N 395.286 5.756 30 40 GKEB Brc1ccc(/C=N/c2ccccc2-c2nc3ccccc3[nH]2)cc1 1476086 GFTZOBVUAVBREA-LPYMAVHISA-N 376.257 5.743 30 40 GKEB Clc1cc(Cl)cc(N=C2c3cc(Cl)ccc3-c3ccc(Cl)cc32)c1 1592343 YQQSPWKOXXXCJM-UHFFFAOYSA-N 393.100 7.450 30 40 GKEB CSC1=N/C(=N\c2c(C)cccc2C)C2(CCCC2)N1Cc1ccccc1 2239822 VZTKKPSGDFSBJC-FLFQWRMESA-N 377.557 5.881 30 40 GKEB CCOC(=O)c1cc(C#N)c(Sc2ccccc2Cl)nc1-c1ccccc1 3104582 TWUDOQGAPPYVFQ-UHFFFAOYSA-N 394.883 5.602 30 40 GKEB N#Cc1c(/N=C/c2c(F)cccc2Cl)oc(-c2ccco2)c1-c1ccco1 3240592 VCFNOZTUGJLSPU-BHGWPJFGSA-N 380.762 6.214 30 40 GKEB COc1ccc([C@H](C#N)N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1OC 4558014 LXBMRKPVQBTWKB-GOTSBHOMSA-N 397.478 5.120 30 40 GKEB CC1(C)[C@H]2CC[C@]1(C)/C(=N/N=C1\N=C(O)/C(=C\c3ccc(Cl)cc3)S1)C2 8968547 PYCCCDOXZRYTIF-CKLBMXLLSA-N 387.936 5.942 30 40 GKEB CC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cccc(Oc2ccccc2)c1 20672588 OONSNXJRYWPZRX-DEOSSOPVSA-N 395.462 5.707 30 40 GKEB CC1(C)CC2=NC3=C(C(=O)CC(C)(C)C3)[C@@H](c3ccc(Cl)cc3)C2=C(O)C1 36527912 OGVHDJVOGWECJE-IBGZPJMESA-N 383.919 6.154 30 40 GKEB CCCCCCCNCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 102568355 IGDOKCFHNCEBAF-UHFFFAOYSA-N 380.359 6.632 30 40 GKEB Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C\c2ccc(Cl)cc2)cc1 104094065 IRBCNWCDLIIFLC-HMAPJEAMSA-N 384.888 5.200 30 40 GKEB O=C(O)c1cccc(-c2ccc(/C=N/c3c(-c4ccco4)nc4ccccn34)o2)c1 110083890 LWYRRKJDQMBNML-ZVHZXABRSA-N 397.390 5.303 30 40 GKEB C=CCOc1ccc(NC(=S)NCCSCc2ccccc2Cl)cc1 225297298 UWCYHMAJYFFXBW-UHFFFAOYSA-N 392.977 5.125 30 40 GKEB O=[N+]([O-])c1cccc(CO/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c1 408595472 XBVSUETVKKGUOM-YDZHTSKRSA-N 396.830 5.378 30 40 GKEB COC(=O)c1ccc(/N=C\c2c(-c3ccccc3)[nH]c3ccc(OC)cc23)cc1 408784582 VEZRNJXRLRGOTG-MYYYXRDXSA-N 384.435 5.381 30 40 GKEB CCOc1ccc(/C=C2/S/C(=N\c3cc(C)ccc3C)N(CC)C2=O)cc1 408907875 PSOPEAZOTZYNFW-QNQNADBQSA-N 380.513 5.326 30 40 GKEB Cc1ccc(-n2cccc2/C=N/Nc2ccc(C(F)(F)F)cn2)cc1Cl 409094367 DJVNWIUAAACKMM-BHGWPJFGSA-N 378.785 5.299 30 40 GKEB C=CCN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C1=O 409096237 JVVRPGGETAZFNV-DHDCSXOGSA-N 380.252 5.476 30 40 GKEB CCCCCCCCCCCCCCCCCC(=O)NCC1CCCCC1 2060990574 LDHRFZZOVDVLML-UHFFFAOYSA-N 379.673 7.944 30 40 GKEB O=C1CCCC2=C1[C@@H](c1cccc3ccccc13)c1c(ccc3ncccc13)N2 1102632 BAZLOKIYWAXCSH-VWLOTQADSA-N 376.459 5.953 30 40 GKEB COC(=O)c1ccc(/C=N/c2ccc(N3Cc4cc(C)c(C)cc4C3)cc2)cc1 2075611 IXHHQPHYZWAZAE-VULFUBBASA-N 384.479 5.361 30 40 GKEB COc1ccc(/C=C/C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 2738962 GLJICXDBUWLSLJ-MZTACXPWSA-N 394.540 5.431 30 40 GKEB Cc1ccc(Cn2c(/N=C/c3ccc(Cl)c(Cl)c3)nc3ccccc32)cc1 4562126 IQPXWGQSRYZAEX-DHRITJCHSA-N 394.305 6.450 30 40 GKEB Fc1ccc(Cn2cc(/C=N/Nc3nc4ccccc4[nH]3)c3ccccc32)cc1 6565868 MMQUNVBPSOGOKC-DHRITJCHSA-N 383.430 5.151 30 40 GKEB CC(C)/N=c1\scc(-c2ccccc2F)n1/N=C/c1c[nH]c2ccccc12 15981257 ZAKLZUWABKLIFL-FOSQEZJDSA-N 378.476 5.028 30 40 GKEB Clc1ccc2nc(N/N=C/c3cc4ccccc4[nH]3)nc(-c3ccccc3)c2c1 17138564 HWPNLPRLZHPIJI-AFUMVMLFSA-N 397.869 5.878 30 40 GKEB C=CCN1C(=O)S/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)C1=O 17167606 QVQSFIQTFDIFKG-UDWIEESQSA-N 392.455 5.051 30 40 GKEB Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)c2c[nH]c3ccccc23)n1 22723175 XIJIHIDNBZFMIU-LLVKDONJSA-N 389.402 5.125 30 40 GKEB CN(C)c1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)cc1 25076195 UOHZQPAWOBIXPT-OAQYLSRUSA-N 392.543 5.566 30 40 GKEB O=C(/C=C\c1ccc2c(c1)OCCCO2)c1ccccc1OCc1ccccc1 33376667 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O=C(Nc1ccccc1)c1c(/N=C/c2ccco2)sc2c1CCCCCC2 408973080 YKNCVPBVPQYADD-HZHRSRAPSA-N 378.497 6.003 30 40 GKEB Cc1ccc(/N=C2/C(=O)N3c4c(cccc42)C(CN2CCCCC2)=CC3(C)C)cc1 575473295 UWXVYJZMMHIZAM-SLEBQGDGSA-N 399.538 5.124 30 40 GKEB Cc1cc(/C=N/c2ccc3ncccc3c2)c(C)n1-c1ccc(Cl)c(Cl)c1 799768 IERRBBWLOFROOK-LGJNPRDNSA-N 394.305 6.700 30 40 GKEB CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1F)C(=O)C[C@H]2c1ccccc1 1079607 SPPJZSIMYMEGBV-INIZCTEOSA-N 381.422 5.129 30 40 GKEB CCCCCCCCCCn1c2ccc(Cl)cc2c2nc3ccccc3nc21 2203825 HKPDLWPDRUWFES-UHFFFAOYSA-N 393.962 7.532 30 40 GKEB C[C@@H](C#N)Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 2645373 VFEGKAXADAJOJK-NSHDSACASA-N 375.284 5.245 30 40 GKEB CC/N=C1\S/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)N1CC 2783131 YANNDGZZTDGDJK-FMEJEFMASA-N 388.577 5.299 30 40 GKEB O=[N+]([O-])c1ccc(Cl)c(-c2ccc(/C=N/c3cc(Cl)ccc3Cl)o2)c1 3083300 XAMQGHSNUZVMBH-ZVBGSRNCSA-N 395.629 6.566 30 40 GKEB O=C1N/C(=N/c2ccc(Cl)c(Cl)c2)S/C1=C\c1ccccc1Cl 5550975 OFMOFXSCANQWTE-AUWJEWJLSA-N 383.687 5.538 30 40 GKEB CCC[C@H](C1=CC(C)(C)c2ccccc2C1=O)c1ccc(Br)cc1 5560819 LJKMNZOUELCIHH-KRWDZBQOSA-N 383.329 6.433 30 40 GKEB CCCOc1ccc(/C=N/N(c2ccccc2)c2ccccc2)c(OCCC)c1 5671915 MCUICCHOJHSUMZ-LHLOQNFPSA-N 388.511 6.436 30 40 GKEB Cn1c(N/N=C/c2ccc(-c3ccc(Br)cc3)o2)nc2ccccc21 7343357 AKRDUNFQWQWQEQ-CIAFOILYSA-N 395.260 5.042 30 40 GKEB C=CCOc1c(Cl)cc(/C=N/NCc2c(Cl)cccc2Cl)cc1OC 9197169 GUPLXCSCEHLSEW-LSHDLFTRSA-N 399.705 5.344 30 40 GKEB Cc1ccc(NC(=O)[C@@H](Nc2ccc(CC#N)cc2)c2ccccc2)cc1Cl 15499118 UXMYJPIGZXDILU-QFIPXVFZSA-N 389.886 5.506 30 40 GKEB Cc1n[nH]c2c1[C@@H](c1ccc(Cl)cc1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 18197796 AQQLIJICJLICLL-BFUOFWGJSA-N 395.915 5.391 30 40 GKEB CCC(C)(C)[C@@H]1CCc2sc3ncnc(N/N=C\c4cccc(O)c4)c3c2C1 33097076 LBJIJJHEFFVDTQ-WWPWHYENSA-N 394.544 5.384 30 40 GKEB Oc1ccc2ccccc2c1/C=N\c1cc(C(F)(F)F)cc(C(F)(F)F)c1 100248255 KHMPVSJWZMEKST-KALUYTGESA-N 383.291 6.334 30 40 GKEB C=CCN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 224706522 VZPXHGLRNCFCLM-UHFFFAOYSA-N 376.692 5.028 30 40 GKEB C=CCN1C(=O)/C(=C/c2cc(C)n(-c3cccc(C)c3C)c2C)SC1=S 408817983 XKHVRDZHBSZYDP-UNOMPAQXSA-N 382.554 5.098 30 40 GKEB CCCN1C(=O)/C(=C\c2cccc3ccccc23)S/C1=N\c1ccc(C)cc1 408915099 PCQZBHWBHQHICC-FTJNEJEMSA-N 386.520 6.162 30 40 GKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(Cl)cc3)C(=O)N2CC(C)C)cc1 408916788 ZCUMJGLUVHOQHD-CRUFNBOHSA-N 384.932 5.908 30 40 GKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc(Br)o3)c2C#N)C1 409078255 HFCBNKVSKWKIJD-JYQBEENSSA-N 391.334 5.877 30 40 GKEB N#Cc1c(/N=C/c2cc(Cl)c(O)c(Br)c2)sc2c1CCCC2 1413046 WLUZJWXSXPHQIE-DNTJNYDQSA-N 395.709 5.371 30 40 GKEB C=C(C)Cn1c([C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)nc2ccccc21 4033262 SQROFTLFGIVBBC-INIZCTEOSA-N 379.891 5.095 30 40 GKEB C=C(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 5358679 INDVLXYUCBVVKW-PXBBAZSNSA-N 398.675 7.555 30 40 GKEB biogenic,in-vitro CN(C)c1ccc(/C=C2\C(=O)c3ccccc3C(O)=C2C(=O)c2ccccc2)cc1 6135769 YMVYEZQMVJPZNT-JWGURIENSA-N 395.458 5.185 30 40 GKEB CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C)cc1 6149632 REYKGBQOTALLTB-QFIPXVFZSA-N 391.511 5.462 30 40 GKEB C=CCOc1c(Cl)cc(CNc2ccc(Br)cc2)cc1Cl 6295835 AFPBOQNZESLFFB-UHFFFAOYSA-N 387.104 5.933 30 40 GKEB CCN(CC)c1ccc(/C=C2/S/C(=N\c3cccc(Cl)c3C)NC2=O)cc1 6352860 HFBIZSATLONXED-CPNJWEJPSA-N 399.947 5.386 30 40 GKEB Fc1c(F)c(F)c(N/N=C\c2c3ccccc3cc3ccccc23)c(F)c1F 13943526 PVVDIZHZPSUJNQ-NCAUGAEKSA-N 386.323 6.135 30 40 GKEB CN(C)c1ccc(/C=N\Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 31854554 JGIIIUTVNJGISY-FBHDLOMBSA-N 391.327 5.629 30 40 GKEB O=[N+]([O-])c1cccc(-c2csc(N/N=C/c3ccccc3C(F)(F)F)n2)c1 33377343 PHEWEASKYLLRDW-ZVBGSRNCSA-N 392.362 5.183 30 40 GKEB Cc1cccc(Oc2ccc(NC(=O)N(CCC#N)Cc3ccccn3)cc2)c1 79067616 JIWOROPBQPTIKH-UHFFFAOYSA-N 386.455 5.130 30 40 GKEB C=C(C)[C@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CCC(=O)C[C@H]5CC[C@@]43C)[C@@H]12 253501178 JMNNBGGLFDJNBE-VKGXBJDHSA-N 396.659 7.597 30 40 GKEB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/Nc2nc3ccccc3s2)o1 408590836 QRVLJZQSGJTHQY-YDZHTSKRSA-N 399.479 5.496 30 40 GKEB N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCc1ccncc1 2240054 NGTBBJCCZBYBGR-UHFFFAOYSA-N 377.416 5.388 30 40 GKEB CCC[C@H]1S/C(=N\N=C\c2ccco2)N(Cc2cccc3ccccc23)C1=O 2322577 PWVKRDRWQVOXOX-IIGRLWHBSA-N 391.496 5.067 30 40 GKEB O=C(O)c1ccc(N/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 5528893 HBVFSUVRAAPAKQ-UFFVCSGVSA-N 375.211 5.398 30 40 GKEB N#Cc1cc(N(c2ccccc2)c2ccc3ccccc3c2)c([N+](=O)[O-])cc1C#N 5589699 MIBPMMGVMKMCRH-UHFFFAOYSA-N 390.402 5.961 30 40 GKEB C=CCOc1ccc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1 6199542 JVFNRSJKBZZTSE-CPNJWEJPSA-N 381.522 5.274 30 40 GKEB N#CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl 68568574 GKFHWLKNQILVMV-UHFFFAOYSA-N 389.567 5.298 30 40 GKEB biogenic C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)/C(=C\C(F)(F)F)C[C@]34C)[C@@H]1CC[C@@H]2C(=O)O 73198023 GQVSUOMNKPEXIZ-DJYQYPHCSA-N 398.465 5.398 30 40 GKEB N#Cc1ccc(N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)c(C(F)(F)F)c1 84392870 YUJABSWHYUGLOG-IBGZPJMESA-N 394.824 5.180 30 40 GKEB CSC1=N/C(=N\c2c(C)cccc2C)C2(CCCCC2)N1c1cccc(C)c1 100495099 CVMNVPYCYBBXNQ-LVWGJNHUSA-N 391.584 6.584 30 40 GKEB O=[N+]([O-])c1ccc(N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc1 169879231 MDBDSLKBDXDLGR-LPYMAVHISA-N 381.819 5.273 30 40 GKEB Cc1ccc(Sc2oc(/C=N\c3cccc(C)c3)cc2Br)cc1 408913497 LKJSKQHSQNFTFM-MTJSOVHGSA-N 386.314 6.561 30 40 GKEB Cc1cc(C)cc(N=C2NC(=O)/C(=C/c3ccc(N4CCCC4)cc3C)S2)c1 408959882 HKAKEMMFYQGOTA-STZFKDTASA-N 391.540 5.104 30 40 GKEB COc1ccc(-n2c(C)cc(/C=N/Nc3ccc([N+](=O)[O-])cc3)c2C)cc1Cl 409064869 QMZWWSDQVISFJF-WSDLNYQXSA-N 398.850 5.110 30 40 GKEB CCOc1cccc(/C=N/c2cccc(-c3nc4cc(C)ccc4o3)c2C)c1O 793666 PASMYNXKNJNSEA-AFUMVMLFSA-N 386.451 5.967 30 40 GKEB CCOc1ccc(/C=N/c2ccc3c(c2)c2nc4ccccc4nc2n3C)c(O)c1 1511055 JSIKZZWEDLGQBB-AFUMVMLFSA-N 396.450 5.130 30 40 GKEB COc1cccc2cc(-c3nc4ccccc4[nH]3)/c(=N/c3cccc(C#N)c3)oc12 5125663 AKITZMMDDXHTKZ-LCUIJRPUSA-N 392.418 5.089 30 40 GKEB CC(C)Oc1ccc(/C=N/NCc2c(Cl)cccc2Cl)c(OC(C)C)c1 9195906 MFFCHYHUOYTIIL-FOKLQQMPSA-N 395.330 5.692 30 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KJEKTTVLEPESHP-NFEGURHZSA-N 394.540 5.654 30 40 GKEB Fc1ccc(COc2ccc(Br)cc2/C=N/c2ccccc2)cc1 409218334 UDMALFGIRUTSEA-YDZHTSKRSA-N 384.248 5.918 30 40 GKEB Clc1ccc(COc2ccccc2/C=N/Nc2nc3ccccc3o2)cc1 5770505 NXSUPJWROPLZCZ-YDZHTSKRSA-N 377.831 5.506 30 40 GKEB Cc1nn2c(c1-c1ccccc1)NC1=C(C(=O)CCC1)[C@@H]2c1ccc(Cl)cc1 8559374 HMFHATXBTNGIKY-QFIPXVFZSA-N 389.886 5.534 30 40 GKEB COc1cc(C#N)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 11994206 PIQLKWROQICQSX-UHFFFAOYSA-N 387.060 5.215 30 40 GKEB CN(CC#C[C@@]1(C)CC[C@@H]2[C@@H](O1)c1ccccc1OC2(C)C)Cc1ccccc1 12658981 VSJACZVSLVSJHV-CWDLOFLHSA-N 389.539 5.219 30 40 GKEB COc1ccc(/C=C/C(=O)Oc2ccc(/C=C\C(=O)c3ccccc3)cc2)cc1 13406612 FXZNENPOJIKRBN-MJZABRMRSA-N 384.431 5.210 30 40 GKEB CCCCCCCCCC[C@H](C(=O)OCCCC)P(=O)(OCC)OCC 100301962 DPMMIQOIKGZYCD-LJQANCHMSA-N 392.517 6.495 30 40 GKEB CCOc1cc(C#N)cc(Br)c1OC(=O)c1cccc2ccccc12 226364808 VVXFLMVAYKRWSV-UHFFFAOYSA-N 396.240 5.092 30 40 GKEB CCCCCC(=O)O[C@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 253505453 WIGTZVOQGIFMAV-JMTDQOONSA-N 386.576 6.010 30 40 GKEB biogenic,in-vitro C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2cccs2)S/C1=N\c1ccccc1 408868773 BGTDDASQEUGZTG-YYKCHOOESA-N 382.554 5.931 30 40 GKEB Cc1ccc(C(=O)O)cc1/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1 409065123 HONICFSZEGIPLD-YDZHTSKRSA-N 381.884 6.248 30 40 GKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1c(Cl)cc(Cl)cc1/C=N/O 409092738 WJRPMOPKMDYEAG-CGOBSMCZSA-N 395.120 5.521 30 40 GKEB N#C/C(=N/Nc1cccc(F)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 4175411 JTCDQTFDCAUVLF-IWIPYMOSSA-N 391.258 5.596 30 40 GKEB C#CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)C1=O 4663763 FKLCSLHXBQLWSA-XSFVSMFZSA-N 392.524 5.061 30 40 GKEB COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3c2ccc2ccccc32)cc1 4794850 MASVZROQIZUYIM-QHCPKHFHSA-N 383.491 6.049 30 40 GKEB CCc1cc2c(cc1/C(C)=N/N=C/c1ccc(O)cc1)C(C)(C)CCC2(C)C 4812678 ADNWREQLLKFANP-CTVDDJEBSA-N 376.544 6.147 30 40 GKEB C/C(=N\Nc1cc(C(F)(F)F)ccc1Cl)c1cc(Cl)ccc1Cl 4919743 PSUJRZRJLLMSJN-GZIVZEMBSA-N 381.612 6.502 30 40 GKEB CC(/N=N/c1ccccc1C)=N\Nc1nc2ccccc2n1Cc1ccccc1 5387332 FHWPDFBLNJZPRN-MEESDTILSA-N 382.471 5.922 30 40 GKEB CCOc1cc(C#N)ccc1O[C@H](C)C(=O)Nc1ccccc1-c1ccccc1 6540762 ZKXNOZQTPTYWFW-QGZVFWFLSA-N 386.451 5.030 30 40 GKEB Cc1ccc(-c2csc(N/N=C/c3cccc(OCc4ccccc4)c3)n2)cc1 11991747 RDLOHCTVLGIGJX-MFKUBSTISA-N 399.519 6.144 30 40 GKEB CN(C/C(O)=N/c1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCCc2ccccc21 82068214 XQHREBADPHVERH-GOSISDBHSA-N 396.840 5.956 30 40 GKEB CCCCCCCCC/C=C/C[C@@H](CC(=O)Nc1ccccc1C#N)C(=O)O 100167826 YNQVMRZQDWYLJW-VYENPZKTSA-N 384.520 5.675 30 40 GKEB CCN1c2ccc(/C=N/c3ccc(Br)cc3)cc2[C@@H](C)CC1(C)C 198099647 LWLBLHJRJDGMQJ-FVQJWRHTSA-N 385.349 6.312 30 40 GKEB CCCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)c(C#N)c1 225683774 KSPNGOKVIIDAFG-UHFFFAOYSA-N 380.463 5.327 30 40 GKEB Cc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1Cl 408629177 OCOKWLZDFXQJOD-AWEZNQCLSA-N 386.948 5.985 30 40 GKEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3cccc(Cl)c3C)c2C)cc1 408743784 VFHYPHCFLPADQJ-ZMOGYAJESA-N 380.875 5.593 30 40 GKEB COC(=O)c1cccc(/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1C 408776504 PHWVVBKTFGFFAW-ZMOGYAJESA-N 380.875 5.593 30 40 GKEB N#Cc1c(-c2ccccc2OCc2ccccc2)c(-c2ccccc2)c[nH]c1=N 408979278 LZJWNQFUTWGXHB-UHFFFAOYSA-N 377.447 5.279 30 40 GKEB Cc1ccc(-c2ccc(/C=N/Nc3ccc(C(F)(F)F)cn3)o2)cc1[N+](=O)[O-] 409067911 RPJDQLGPWSFPMA-AUEPDCJTSA-N 390.321 5.023 30 40 GKEB C=C(C)[C@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@H]4[C@@]5(C)CCC(=O)C[C@H]5CC[C@@]43C)[C@H]12 2038218752 JMNNBGGLFDJNBE-ICQMQSAKSA-N 396.659 7.597 30 40 GKEB N#Cc1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 853548 DPENYTFBALUTSD-UHFFFAOYSA-N 383.838 5.679 30 40 GKEB Clc1ccc(/C=C/C=N/c2ccc(-c3nc4ccccc4o3)cc2)c(Cl)c1 2756845 RCTOYXPLKIBHLY-DFJXIDDLSA-N 393.273 7.217 30 40 GKEB O=C(Cc1cccc2ccccc12)Oc1ccc(/C=N/Nc2ccccc2)cc1 4405661 UQGARSXOCBYUNE-NLRVBDNBSA-N 380.447 5.434 30 40 GKEB N#C[C@H](c1cccc([N+](=O)[O-])c1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 12342299 TYZHIEMLQKJQDI-DHIUTWEWSA-N 382.423 5.011 30 40 GKEB Cc1cc(C(=O)Nc2scc(-c3ccc(Cl)c(Cl)c3)c2C#N)no1 13329154 XAVWDHUSNUBLNS-UHFFFAOYSA-N 378.240 5.142 30 40 GKEB CCN(CC)Cc1c(O)ccc2c1O/C(=C\c1ccc(Cl)cc1Cl)C2=O 20647001 RYHCFSDZDNDOIE-NVMNQCDNSA-N 392.282 5.157 30 40 GKEB O=C1/C(=N\Nc2cc(Cl)cc(Cl)c2)c2ccccc2N1c1ccccc1 100327190 UAFYGCUYQXJDEM-CLCOLTQESA-N 382.250 5.488 30 40 GKEB Cc1cc(/C=C2\SC(=N)[C@@H](c3nccs3)C2=O)c(C)n1-c1ccc(F)cc1 107766442 BYNTXENZCWQUGO-RQUYWDQNSA-N 397.500 5.108 30 40 GKEB C=CCN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 224936073 ARTVNYSIPTWNBT-UHFFFAOYSA-N 390.719 5.337 30 40 GKEB CC(C)(C)c1ccc(-c2n[nH]c(=S)n2N=Cc2cccc3ccccc23)cc1 254289403 HVTXOXFCZZXFEY-UHFFFAOYSA-N 386.524 5.941 30 40 GKEB CCCOc1ccc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc1OCC 408530559 JTLXBDSNYIHETL-ZHZULCJRSA-N 396.512 5.074 30 40 GKEB Cc1cc(C)c(-n2c(C)cc(/C=N/OCc3cccc([N+](=O)[O-])c3)c2C)c(C)c1 408593071 OSPNCJMTEPTEJQ-ZMOGYAJESA-N 391.471 5.478 30 40 GKEB O=[N+]([O-])c1ccccc1-c1ccc(/C=N/c2c(-c3ccco3)nc3ccccn23)o1 408721167 LTUUXWICYDUOCA-OEAKJJBVSA-N 398.378 5.513 30 40 GKEB Cc1cccc(-n2c(C)cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2C)c1 409040475 YDRUDOVPOIPZKT-MWYAZZEHSA-N 395.322 5.116 30 40 GKEB COc1cccc(C(=O)Nc2cc(C#N)ccc2Sc2ccc(Cl)cc2)c1 1383053 OIMIGYQZJJYPNP-UHFFFAOYSA-N 394.883 5.624 30 40 GKEB CCCCCCCSc1nc(N)c2c3c(sc2n1)CO[C@@H](C(C)C)C3 1817415 BRACJTICTADLJW-CQSZACIVSA-N 379.595 5.433 30 40 GKEB CCCC[C@@H]1S/C(=N\N=C\c2ccc(C)cc2)N(Cc2ccc(F)cc2)C1=O 2322306 MZEUQPDYXQTRDH-KVZWLNNISA-N 397.519 5.158 30 40 GKEB COc1ccc(/C=C/C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 2738964 GLJICXDBUWLSLJ-NYUWMOHMSA-N 394.540 5.431 30 40 GKEB CCCCCCCC[n+]1c(C)n(CCCCC)c2cc(Cl)c(Cl)cc21 3127925 ZZHCYRBLYJCWLQ-UHFFFAOYSA-N 384.415 7.095 30 40 GKEB O=C(C1=C2SC=C(c3ccccc3)N2CCCC1)c1cccc([N+](=O)[O-])c1 3206285 MHECACPJJCBPKZ-UHFFFAOYSA-N 378.453 5.220 30 40 GKEB N#C/C(=N\Nc1ccccc1F)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 4175399 BKULZXWHSWULFH-BUVRLJJBSA-N 391.258 5.596 30 40 GKEB CSc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccc4ccccc4c32)cc1 4599815 VBJDRBXVDBJKMI-HSZRJFAPSA-N 399.559 6.762 30 40 GKEB O=[N+]([O-])c1cccc(-c2csc(N/N=C\c3ccccc3C(F)(F)F)n2)c1 5010216 PHEWEASKYLLRDW-NKVSQWTQSA-N 392.362 5.183 30 40 GKEB O=C1Nc2ccc(Br)cc2/C1=N\c1ccc(-c2ccccc2)cc1 5593965 FZGVMGHHGVIJKZ-UHFFFAOYSA-N 377.241 5.189 30 40 GKEB O=C(/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccc1 6269533 JBHFXWSEIGJYKW-DYTRJAOYSA-N 375.471 7.053 30 40 GKEB in-vitro CC(C)/N=c1\scc(-c2c[nH]c3ccccc23)n1/N=C/c1c[nH]c2ccccc12 16035605 XAAMYBIQBBDCDQ-NTWZCJKESA-N 399.523 5.371 30 40 GKEB C[C@@H](CN(C)C)C(/C=C/c1ccc(Cl)c(Cl)c1)=N/Nc1ccccc1 17174871 MHXJNMINLOJZPT-UWOQVXKOSA-N 376.331 5.672 30 40 GKEB CC1(C)CC2=NC3=C(C(=O)CC(C)(C)C3)[C@H](c3cccc([N+](=O)[O-])c3)C2=C(O)C1 25075859 XPCACXVMMSBFDW-LJQANCHMSA-N 394.471 5.408 30 40 GKEB O=c1oc2ccccc2cc1-c1csc(N/N=C/c2cccc(Cl)c2)n1 28467599 FEVQPSCLUFCXFS-UFFVCSGVSA-N 381.844 5.016 30 40 GKEB CCCCCCCc1ccc(-c2noc(-c3ccc(OC)c(OC)c3)n2)cc1 98045137 JUBVURIRPJNHMK-UHFFFAOYSA-N 380.488 5.934 30 40 GKEB CCc1ccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 408628848 DJHUYRWORWBOLR-INIZCTEOSA-N 396.556 5.351 30 40 GKEB O=C(c1ccc(F)cc1)c1ccc2oc(-c3ccc(F)cc3)c3c2c1C(=O)C=C3 670417821 LHOFCSGVENZILP-UHFFFAOYSA-N 386.353 5.819 30 40 GKEB CC(=O)CSc1nc2c(c(-c3cccs3)c1C#N)C[C@@H](C(C)(C)C)CC2 663622 KPYTWUSAFCDGHG-AWEZNQCLSA-N 384.570 5.514 30 40 GKEB Cc1sc(NC(=O)CSc2ccccc2)c(C#N)c1-c1ccc(F)cc1 1003142 JEOCLQDZJPWKGG-UHFFFAOYSA-N 382.485 5.465 30 40 GKEB CC(C)(C)C(=O)C1=C(C(C)(C)C)O[C@@H](c2ccccc2)N(c2ccccc2)C1=O 2077932 IYZWRSIMOOJHBU-QHCPKHFHSA-N 391.511 5.664 30 40 GKEB CCn1c(SCc2ccc(C#N)cc2)nnc1-c1ccc(C(C)(C)C)cc1 2444563 DMQUVQKOXOQIKN-UHFFFAOYSA-N 376.529 5.426 30 40 GKEB N#Cc1ccc(-c2ccc(OC(=O)/C=C/c3ccc(Cl)cc3Cl)cc2)cc1 3330652 WULNGJKATHVNFN-XYOKQWHBSA-N 394.257 6.151 30 40 GKEB COc1ccc(C(=O)/C=C/c2cn(Cc3ccccc3)c3ccccc23)cc1OC 4869665 FQNASUHVEIABDG-WYMLVPIESA-N 397.474 5.603 30 40 GKEB CC(C)=CCOc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O 5252965 KLAIBYADEJHNMQ-ODLFYWEKSA-N 385.257 5.410 30 40 GKEB N#Cc1ccc(COC(=O)[C@@H]2CCCC[C@@H]2c2nc3ccccc3s2)cc1 5938689 LFBSULNROOVKIS-ZWKOTPCHSA-N 376.481 5.185 30 40 GKEB O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 8715461 XBXQQIWNHKVBRI-FQEVSTJZSA-N 395.886 5.251 30 40 GKEB C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1cccc2ccccc12 16711366 SQCSYYBCOCQDNS-GYHWCHFESA-N 376.912 6.442 30 40 GKEB CC(C)(C)/N=C(\CCN1CCN(c2ccccc2)CC1)Nc1ccccc1Cl 17123164 ZWDLFJBYZJGDCP-UHFFFAOYSA-N 398.982 5.161 30 40 GKEB CC[C@@H](C)/N=C(Nc1ccc(C)cc1)/C(=N/c1ccc(C)cc1)N[C@H](C)CC 17154948 FMGGNWIDZMOMJX-WOJBJXKFSA-N 378.564 6.031 30 40 GKEB Cc1ccc(C)c(OCc2ccc(-c3nc(C#N)c(NC4CCCCC4)o3)o2)c1 33027066 IZWSUUGIEITHIN-UHFFFAOYSA-N 391.471 5.747 30 40 GKEB CC(C)=NNc1nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2s1 72229769 NRAHSTBDXANAJB-UHFFFAOYSA-N 393.299 5.663 30 40 GKEB Cc1cc(/C=N/c2ccc(Br)cc2)c(C)n1-c1cccc(Cl)c1 408759637 ILNILEWNYWBWCJ-WSDLNYQXSA-N 387.708 6.261 30 40 GKEB Cc1cc(/C=N\c2ccc(Cl)c(Cl)c2)c(C)n1-c1cccc(Cl)c1 408760080 RFDRJBJUMUIVDW-KSEXSDGBSA-N 377.702 6.805 30 40 GKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc(OC(F)F)cc3)c2C#N)C1 409155252 QFOQAWWBBPJUBX-DSKMXOTJSA-N 388.483 6.123 30 40 GKEB Cc1ccc(/N=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)cc1Cl 409200088 GLNISRDMPHPVII-QRVIBDJDSA-N 380.831 5.886 30 40 GKEB CCON(/C=N/c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 1568378 MMNXZCHXTUHOAK-AWQFTUOYSA-N 378.086 6.418 30 40 GKEB Oc1ccccc1/C=N/c1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 1814509 GIAJVSBDOKBTML-VULFUBBASA-N 398.849 6.758 30 40 GKEB CCCCCCCCC(=O)Nc1nc(-c2ccc(OC)c(OC)c2)cs1 3333400 BFTUEDYKQAZTOD-UHFFFAOYSA-N 376.522 5.516 30 40 GKEB COC(=O)c1ccc(/C=N/c2ccc3oc(-c4cccc(Cl)c4)nc3c2)cc1 4401860 FOQIREFSTRSYRY-ZMOGYAJESA-N 390.826 5.685 30 40 GKEB O=C1C2=C(c3ccccc31)c1c(ccc3ccccc13)N[C@@H]2c1ccc(Cl)cc1 4713464 SMRMDUMFVBYKAK-RUZDIDTESA-N 393.873 6.658 30 40 GKEB CC(=O)C(=Nc1ccc(Oc2ccc(Cl)cc2)cc1)NNc1ccccc1 6692459 JVXXNKDYLSRQIX-UHFFFAOYSA-N 379.847 5.368 30 40 GKEB CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCc1ccc(C)cc1 6961234 CKJGYSRHUKTUKE-CVKSISIWSA-N 393.914 6.685 30 40 GKEB CCOc1cc(/C=N/c2cc(C)ccc2C)ccc1OCc1ccccc1Cl 6961569 ULCDJEWYINXBTL-CVKSISIWSA-N 393.914 6.685 30 40 GKEB Cc1csc(N/N=C/c2ccc(OCc3c(F)cccc3Cl)cc2)n1 11992535 VOTRHFJSNFBROQ-ZVBGSRNCSA-N 375.856 5.269 30 40 GKEB C=C(Br)Cn1c([C@@H](C)c2ccc(CC(C)C)cc2)nc2ccccc21 13039588 CYGOQPMQKLXOKI-KRWDZBQOSA-N 397.360 6.295 30 40 GKEB O=[N+]([O-])c1ccc(/C=N/c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)o1 32616774 VSSQDMKQGNJXAU-WSDLNYQXSA-N 377.787 5.807 30 40 GKEB CCCCCCCCOc1ccc(-c2ccc(CCCCCCC)cn2)cc1F 100566238 UGKROORJMAVFRK-UHFFFAOYSA-N 399.594 8.140 30 40 GKEB CCN1c2cc(C)c(/C=N/c3ccc(Br)cc3)cc2C(C)=CC1(C)C 198163420 UFEBYXJEQYCQQM-ZVHZXABRSA-N 397.360 6.530 30 40 GKEB COC(=O)c1ccc(Cl)c(/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)c1 408756942 UUKUFMCSNGXSNK-ZMOGYAJESA-N 380.875 5.593 30 40 GKEB CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)cc1 408915938 SCQILBOMAWAVQE-QNQNADBQSA-N 380.513 5.406 30 40 GKEB C=CCOc1cccc(/C=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)c1 409091869 STYOMNORWCUELN-PTGBLXJZSA-N 380.447 5.086 30 40 GKEB N#Cc1c(NC(=O)COc2ccc(Cl)cc2Cl)sc2c1CCCCC2 2749103 QHYVQPOEPIHDLD-UHFFFAOYSA-N 395.311 5.213 30 40 GKEB Cc1ccc2[nH]c(-c3cc(/N=C/c4ccc(Cl)cc4Cl)ccc3O)nc2c1 3112956 BZKOVINPQKXWNG-BHGWPJFGSA-N 396.277 6.301 30 40 GKEB CC(C)(C)C#CSc1nsc(NC(=O)Nc2cccc3ccccc23)n1 4984737 XVFUHSSKVSRDOM-UHFFFAOYSA-N 382.514 5.434 30 40 GKEB CC/N=C1\S/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N1CC 5552139 PFADUZPOVZPLJH-WPKWFYOXSA-N 395.311 5.566 30 40 GKEB CCCCSCSc1nc(-c2cccs2)cc(-c2ccccc2)c1C#N 5655444 PRCOLPJIDOCMBG-UHFFFAOYSA-N 396.606 6.932 30 40 GKEB C=CC(=O)N1C/C(=C\c2ccc(Cl)cc2)C(=O)/C(=C/c2ccc(Cl)cc2)C1 5838751 UANWMDUDDVNHJV-JYFOCSDGSA-N 398.289 5.058 30 40 GKEB N#Cc1cc(C(=O)Cc2ccc(Cl)cc2)cn1Cc1c(F)cccc1Cl 6219875 AJUAWGWKYQPJIT-UHFFFAOYSA-N 387.241 5.279 30 40 GKEB N#Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccc(Br)cc12 6615081 VTCKWKWARUCALD-UHFFFAOYSA-N 380.072 5.631 30 40 GKEB CCOc1cc(/C=N/c2ccc(OC)cc2)cc(Br)c1OCC 6959590 PQZAONBHGFRDDU-UDWIEESQSA-N 378.266 5.006 30 40 GKEB O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C/c1ccc(Cl)cc1 44835536 MTWIXXYEBJVJDO-MDWZMJQESA-N 383.687 5.538 30 40 GKEB CCCCCCCCCCCCSC(=N)NCCc1ccc(OC)cc1 100167393 UYPHESPLJOLCTF-UHFFFAOYSA-N 378.626 6.416 30 40 GKEB C[C@@H](NC(=O)c1ccccc1N/C=C1/C(=O)C=Cc2ccccc21)c1ccccc1 100477397 YUGODMKHHCZZOI-KIJZHVTOSA-N 394.474 5.227 30 40 GKEB CCCCCCCCCCCCCCCC/C(C(=O)OC)=C(/O)C(=O)OCC 102974593 DLBHDDYNOOLEJJ-MRCUWXFGSA-N 398.584 6.406 30 40 GKEB CCOc1ccc(/C=C2\SC(=N)[C@H](c3nccs3)C2=O)c2ccccc12 136210692 YOKDBJOFUHPTBZ-IZDDVYCDSA-N 380.494 5.113 30 40 GKEB O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C\c1cc(Cl)ccc1O 408771677 AKBAPGZLQDCOJP-QPEQYQDCSA-N 399.686 5.244 30 40 GKEB COc1cccc(/C=N/c2ncnc3oc(-c4ccco4)c(-c4ccco4)c23)c1 408978421 ZQKUMPVVYQHZNY-FSJBWODESA-N 385.379 5.502 30 40 GKEB Cc1ccc(COc2ccc(Br)cc2/C=N/c2ccccc2C)cc1 409210862 LGJIPXPXNGEFGZ-ZVHZXABRSA-N 394.312 6.396 30 40 GKEB CCOc1cccc(/C=N/c2ccc(-c3nc4cc(C)cc(C)c4o3)cc2)c1O 1500855 RSEPGYIYEMUCJH-AFUMVMLFSA-N 386.451 5.967 30 40 GKEB COc1cccc(-c2csc(/C(C#N)=N/Nc3c(C)cc(C)cc3C)n2)c1 4175568 XARNPUQLZZLASI-HKOYGPOVSA-N 376.485 5.084 30 40 GKEB CCOc1ccc(Nc2c(CCC#N)c(C)c(C#N)c3nc4ccccc4n23)cc1 4995097 ADXIVDKFNMXTJU-UHFFFAOYSA-N 395.466 5.266 30 40 GKEB CCOc1ccc(/C=C2\S/C(=N/c3ccc(C)cc3C)N=C2O)cc1OC 6554495 YJAXTXZDKYKQAO-UNOMPAQXSA-N 382.485 5.443 30 40 GKEB CCOc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccccc2F)cc1 6962442 GJGWDKPYSQDAAM-AFUMVMLFSA-N 383.850 6.207 30 40 GKEB C=C(C)COc1cccc(C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)c1 7499494 PWCBADVQCXEVAG-UHFFFAOYSA-N 384.479 6.022 30 40 GKEB Cc1ccc(C(=O)Oc2ccc(C(=O)/C=C/c3cccc4ccccc34)cc2)cc1 15922469 DZGKFEVBKXCYAW-OBGWFSINSA-N 392.454 6.264 30 40 GKEB CCOC(=O)c1cnc2ccc(Cl)cc2c1Sc1nc(C)cc(C)c1C#N 19897626 DSOGFMBKMMOJIW-UHFFFAOYSA-N 397.887 5.100 30 40 GKEB C(=N/c1ccc(Oc2ccc(/N=C/c3ccccc3)cc2)cc1)\c1ccccc1 100010851 MUKLVHTVHNFBOW-MKYUKRCKSA-N 376.459 6.980 30 40 GKEB C=CCn1c(C)cc(C(=O)[C@H](C#N)C(=O)c2cc3c(ccc4ccccc43)[nH]2)c1C 101351870 BELUZYPYTFXHRS-NRFANRHFSA-N 395.462 5.131 30 40 GKEB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1C/C(=C\c1ccccc1F)C2=O 253497842 OIEOFEFLLYWLLM-BVYHKZPGSA-N 380.547 6.821 30 40 GKEB CC(C)c1ccc(/C=C2/SC(=Nc3cc(Cl)ccc3Cl)NC2=O)cc1 408749951 VGUUYBDFLMPRTL-RQZCQDPDSA-N 391.323 6.008 30 40 GKEB CC(=O)Nc1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)s2)cc1 409017187 LFCLXMCRRNIBLJ-CIAFOILYSA-N 386.929 6.262 30 40 GKEB CCOc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1OCc1ccccc1C#N 409118512 QSLDQPMHMZSDLK-BKUYFWCQSA-N 396.446 5.029 30 40 GKEB COc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OCc1ccccc1F 409208570 GWEUIMPKEWKMMO-LGJNPRDNSA-N 397.877 6.434 30 40 GKEB Cc1ccc(N(CCC#N)C(=O)CSc2nc(-c3ccccc3)cs2)cc1 3504390 LLFFAQAAQZCUHE-UHFFFAOYSA-N 393.537 5.158 30 40 GKEB C=C1CC[C@@H](O)C/C1=C\C=C1/CCC[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]12 4492875 QYSXJUFSXHHAJI-KZIJDQSTSA-N 384.648 7.619 30 40 GKEB CCCCc1ccc(/N=C2/NC(=O)/C(=C/C(C)=C/c3ccccc3)S2)cc1 5551447 YUEXHIFMXCKOJI-AMQBKCJUSA-N 376.525 5.867 30 40 GKEB Fc1c(F)c(F)c(N/N=C/c2ccc(-c3cccc(Cl)c3)o2)c(F)c1F 6926032 MRADUJADSBJLCB-HCBMXOAHSA-N 386.707 5.742 30 40 GKEB C/C(=N\n1c(-c2ccc(C)cc2)cs/c1=N\c1ccccc1)c1ccc(C)o1 6995423 GFMFKHWVFLOCEL-QGDSVMFKSA-N 387.508 5.931 30 40 GKEB COC(=O)c1ccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)cc1 16045047 GREHWMOWVWJNIA-CYVLTUHYSA-N 399.471 5.506 30 40 GKEB CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1 30823030 LUHGCJFMGQWZRG-QFIPXVFZSA-N 380.513 5.301 30 40 GKEB CCCCCCCc1ccc(/N=[N+](\[O-])c2ccc(CCCCCCC)cc2)cc1 100225293 QGBNLWGTPRDGLR-DQSJHHFOSA-N 394.603 8.638 30 40 GKEB O=C(c1cc(F)cc(Cl)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 101471077 IXHUUHGKLFQUFX-UHFFFAOYSA-N 376.577 5.130 30 40 GKEB Cc1cc(/C=N/c2ccc(Cl)cc2)c(C)n1-c1ccc(Br)cc1 408739654 YLZGXJZEYXSWEL-WSDLNYQXSA-N 387.708 6.261 30 40 GKEB CCOc1ccc(/C=C2\SC(=Nc3ccc(C)c(C)c3)NC2=O)cc1Cl 408772093 ARTIDTKDNZGFRP-WQRHYEAKSA-N 386.904 5.247 30 40 GKEB C[C@H]1C[C@@H](C)Cc2c1sc(NC(=O)c1cscc1C(F)(F)F)c2C#N 598837373 DBENFMKBTUUTNH-BDAKNGLRSA-N 384.448 5.638 30 40 GKEB O=[N+]([O-])c1ccc(N/N=C/c2cn(Cc3ccccc3F)c3ccccc23)cc1 4819943 QUNPHRGMSDRFJU-ZMOGYAJESA-N 388.402 5.183 30 40 GKEB COc1ccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3o2)cc1OC 4859814 GKMUQUATHSONAX-JXAWBTAJSA-N 385.419 5.269 30 40 GKEB CC1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2c(Cl)cccc2Cl)NC(=O)N1 5870097 NHFWTXVWFHYANN-MRXNPFEDSA-N 395.673 5.158 30 40 GKEB CCc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2ccccc2)cc1 6982471 QTMXYODGYLTWHV-ISLYRVAYSA-N 378.475 5.998 30 40 GKEB C=C(Br)Cn1c([C@H](C)c2ccc(CC(C)C)cc2)nc2ccccc21 13039587 CYGOQPMQKLXOKI-QGZVFWFLSA-N 397.360 6.295 30 40 GKEB COc1ccc2c(c1)O[C@@](c1ccccc1)(C(F)(F)F)N/C2=N\c1ccccc1 15906390 PBUZVQBEQOMROD-NRFANRHFSA-N 398.384 5.171 30 40 GKEB CC(C)(C)c1ccc(C(=O)C[n+]2cc(-c3ccc(Cl)cc3)n3c2CCC3)cc1 17248144 ISTOPTYNDDJBJS-UHFFFAOYSA-N 393.938 5.223 30 40 GKEB Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)c2c(C)[nH]c3ccccc23)n1 25256435 DYJJTIXIVAMPFM-UHFFFAOYSA-N 389.402 5.045 30 40 GKEB CC1=NN(c2ccccc2)C(=O)/C1=N/Nc1ccc(/N=N/c2ccccc2)cc1 100005520 VGPQQIHMIOKFCN-POVUZCFVSA-N 382.427 5.293 30 40 GKEB Cc1cc(/C=N/Nc2nc3ccccc3[nH]2)c(C)n1-c1ccc(Cl)cc1Cl 408591572 UYJJRNJCJDCQJM-FOKLQQMPSA-N 398.297 5.723 30 40 GKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(C#N)cc3F)c2C#N)C1 408629080 LSZZCKQXPPSJGD-ZDUSSCGKSA-N 381.476 5.034 30 40 GKEB Cc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C3CCCCC3)C2=O)cc1 408914564 OELAMPNGUBPBDW-FTJNEJEMSA-N 390.552 6.240 30 40 GKEB Cc1cccc(/N=C/c2cc(Cl)ccc2OCc2ccc(C(=O)O)cc2)c1C 409214104 VZHGQXCCTCSCAA-DHRITJCHSA-N 393.870 5.985 30 40 GKEB CCCCCCCOC(=O)c1c(N)n(CCC(C)C)c2nc3ccccc3nc12 2370852 ZRBZDBMLZYRHEV-UHFFFAOYSA-N 396.535 5.340 30 40 GKEB Cc1ccc(/N=C/c2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1C 3112563 DVHZROCPVNJJMI-WPWMEQJKSA-N 379.459 6.426 30 40 GKEB CC(=O)C1=C(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)C[C@H]2[C@@H]1C2(C)C 4029312 VEOIQUUCRMWBOB-CYFREDJKSA-N 396.490 5.151 30 40 GKEB biogenic COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 4474729 HVHCNOCAQUGOSS-GIDUJCDVSA-N 378.855 5.824 30 40 GKEB biogenic CCOC(=O)c1ccc(/N=C/C=C2/C=C(c3ccccc3)OC(C)(C)O2)cc1 4718829 KKTPQRNLFXRYQU-WRHQLWEMSA-N 377.440 5.274 30 40 GKEB CS(C)=C(C(=O)c1ccccc1)/C(=C\C(=O)c1ccccc1)c1ccccc1 5181076 WWNNZBUYFRIAFF-PYCFMQQDSA-N 386.516 5.537 30 40 GKEB CC1(C)CC(=O)C2=C(C1)OC1=C(CC(C)(C)CC1=O)[C@@H]2c1ccccc1Cl 5734444 VNMFPHPGMWWBLM-IBGZPJMESA-N 384.903 5.740 30 40 GKEB COc1ccc(/N=C/c2ccc(-c3ccc(Br)cc3)o2)cc1OC 6170706 SVFOBWQMGHILOE-CIAFOILYSA-N 386.245 5.477 30 40 GKEB CCN1C(=O)/C(=C\c2ccc(C(C)C)cc2)S/C1=N\c1ccc(C(=O)O)cc1 35669442 WWUNNTYJYXYMPQ-NMSSZPRHSA-N 394.496 5.132 30 40 GKEB CCCCCCCCCCOC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 114054792 ZFOZSYQWFYGERI-UHFFFAOYSA-N 390.608 7.285 30 40 GKEB CCN1c2cc(C)c(/C=N/Nc3ccc([N+](=O)[O-])cc3)cc2[C@H](C)CC1(C)C 208322689 VWSKMUAPYWVBST-BRABVMKYSA-N 380.492 5.461 30 40 GKEB Cc1ccc(-n2c(C)cc(/C=N/Nc3nc4ccccc4[nH]3)c2C)cc1Cl 408590831 QRPZVTAZICKSFH-FSJBWODESA-N 377.879 5.378 30 40 GKEB Cc1cc(/C=N/c2ccc(C3CCCCC3)cc2)c(C)n1-c1ccc(Cl)cc1 408782058 FQTIXWAXCBBMHY-WPWMEQJKSA-N 390.958 7.546 30 40 GKEB CCOc1cc(/C=C2/S/C(=N\c3cc(C)ccc3C)N(CC)C2=O)ccc1O 408910741 XXUJKYQJSARECW-DYEBMTOPSA-N 396.512 5.032 30 40 GKEB Fc1ccc(COc2ccc(/C=N/c3ccccc3)cc2Br)cc1 409200423 IENHEGFAYDMGAH-YDZHTSKRSA-N 384.248 5.918 30 40 GKEB COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccco2)C3)cc1 1458974 JFOBHJSTTYLBTD-GYCJOSAFSA-N 386.451 5.268 30 40 GKEB Cn1c(=S)n(/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2ccccc21 3204948 NCVCITHDWUHWIA-ZVHZXABRSA-N 395.572 5.892 30 40 GKEB CC[C@H]1S/C(=N/N=C/c2ccccc2)N(Cc2cccc3ccccc23)C1=O 4899326 AXNFSPPJHCLVRS-ARGSHCIWSA-N 387.508 5.084 30 40 GKEB Cc1cc2nc(N(Cc3cccnc3)C(=O)c3ccc(C#N)cc3)sc2cc1C 5152707 MERMOOFLQDRZKG-UHFFFAOYSA-N 398.491 5.027 30 40 GKEB Cc1cccc(-c2nc3cc(/N=C/c4cc([N+](=O)[O-])cc(C)c4O)ccc3o2)c1 36145013 UFIUCMFJXKMUIJ-FSJBWODESA-N 387.395 5.476 30 40 GKEB C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCC[C@@H]2Cc2ccco2)c1 57450922 YVEMOVATEJFKPQ-KNQAVFIVSA-N 380.532 5.649 30 40 GKEB C=CC[N+](CCO)(CCO)CCCCCCCCCCCCCCCCCC 73354880 YJYNENNIOGYHDA-UHFFFAOYSA-N 398.696 6.235 30 40 GKEB CCCCC(=O)C1=C(NCCc2c(C)[nH]c3ccccc23)CC(C)(C)CC1=O 100154981 IEFKKRNACCUVSC-UHFFFAOYSA-N 380.532 5.011 30 40 GKEB CCCCCCCCCCCCCCCCCCNc1nc(N)nc(N)n1 100253638 YVQGTGVCLMMSTL-UHFFFAOYSA-N 378.609 5.709 30 40 GKEB CCCCCCCCCCOc1ccc(NC(=O)Nc2ccccc2CC)cc1 100283788 MAFCXMHOPAEBFJ-UHFFFAOYSA-N 396.575 7.413 30 40 GKEB C=CCOC(=O)/C=C/c1ccc(OCc2ccc(F)cc2Cl)c(Cl)c1 226334222 CCIAFYWEXKIQKV-XBXARRHUSA-N 381.230 5.454 30 40 GKEB C=CCOc1ccc(Cl)cc1[C@H]1SCC(=O)N1c1ccc(Cl)cc1 408557336 MTXOSMNEGRKJJP-GOSISDBHSA-N 380.296 5.337 30 40 GKEB Cc1oc(/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)c(C#N)c1C 408952412 KGHGYAGCVKBKML-OPEKNORGSA-N 399.277 6.405 30 40 GKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc(Cl)cc3Cl)c2C#N)C1 409078749 IAQNXRJCWBNCLP-DDFZXGMKSA-N 391.367 6.828 30 40 GKEB COc1ccccc1Oc1ccc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 409114150 JCBPJEVGOSWCOC-LPYMAVHISA-N 382.803 5.800 30 40 GKEB CC[C@H](C)Oc1ccccc1/C=N\c1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 409209350 GEFJPKNQFZTQJG-JEGMPFIMSA-N 394.584 6.699 30 40 GKEB CCCCOc1ccc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1 4031457 MTWBDUQNQDLYCY-UHFFFAOYSA-N 377.469 5.113 30 40 GKEB CCCCCCCCC#CC[N+]1(CCCCCCCCCC)CCCCC1 8457055 NFKWGJXCDOYMTF-UHFFFAOYSA-N 376.693 7.882 30 40 GKEB COc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(C(C)C)cc1 12406426 FMWHASSLWZGTDN-YUBSNBEWSA-N 376.500 5.572 30 40 GKEB CSc1ccc(/C=C2/C[N+](C)(C)C/C(=C/c3ccc(SC)cc3)C2=O)cc1 16957350 JUWJTPALTAZIPS-AXPXABNXSA-N 396.601 5.257 30 40 GKEB N#Cc1c(N)nc2c(c1N)[C@@H](c1ccccc1Cl)c1ccc3ccccc3c1O2 22145502 LAMURORXXOFACK-SFHVURJKSA-N 398.853 5.210 30 40 GKEB CCN(CC)c1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 33958467 ZKOIYNGHGWITNY-LPYMAVHISA-N 384.936 5.756 30 40 GKEB CCc1c(C)c(C#N)c2[nH]c3ccccc3n2/c1=N/c1cccc(C(F)(F)F)c1 102594451 JGGAJJRSUWVUDS-NHFJDJAPSA-N 394.400 5.414 30 40 GKEB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1C/C(=C\c1ccccc1Cl)C2=O 118916541 ABPLWVLRVBSYHB-DFMMHKFPSA-N 397.002 7.335 30 40 GKEB O=C(/C=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1)c1ccccc1 408623160 RBSPXCNQAXOPRG-JXMROGBWSA-N 398.212 5.513 30 40 GKEB Cc1cccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1C 408629254 SMEWYVSKFQPIJX-INIZCTEOSA-N 396.556 5.405 30 40 GKEB COc1cc(Cl)cc(/C=N/c2ccc3oc(-c4ccc(F)cc4)nc3c2)c1O 865390 ZFKQOQADGLTSTH-BHGWPJFGSA-N 396.805 5.752 30 40 GKEB Cc1cccc(C)c1NC(=O)[C@@H](C#N)Cc1cc2ccc(C)c(C)c2nc1Cl 883112 SFEWMRMQQUCMHL-LJQANCHMSA-N 391.902 5.443 30 40 GKEB CC(=O)Nc1cccc(/N=C/c2cc(Cc3ccccc3Cl)ccc2O)c1 1499394 OYASDBHHXBCGOC-ZVHZXABRSA-N 378.859 5.345 30 40 GKEB CCCCCCCC(=O)Nc1sc2c(c1C(=O)OCC)CC(C)(C)OC2 1823015 SEBZFHSXNKVDHU-UHFFFAOYSA-N 381.538 5.075 30 40 GKEB Cc1cccc(/C=N/c2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)c1O 2051977 QEQSMUIBVIDOLQ-BHGWPJFGSA-N 397.261 6.566 30 40 GKEB C=C(C)COc1ccc2c(=O)c(Oc3ccccc3Br)coc2c1 2423536 XSBDZJWZWKAEBN-UHFFFAOYSA-N 387.229 5.303 30 40 GKEB biogenic COc1cccc(-c2nc3cc(/N=C/c4ccc(Cl)c(Cl)c4)ccc3o2)c1 3083650 RWWXSTTYSXEQGN-WYMPLXKRSA-N 397.261 6.561 30 40 GKEB N#Cc1ccc(-c2csc(NC(=O)c3ccc(-c4ccccc4)cc3)n2)cc1 4069848 QBNIYJCPKJBZKS-UHFFFAOYSA-N 381.460 5.601 30 40 GKEB Cc1ccc2nc3c(cc2c1)CN(Cc1ccccc1)/C(=N\c1ccccc1)S3 4853893 LNUUHJFFYWEWPM-OCEACIFDSA-N 395.531 6.339 30 40 GKEB Clc1cccc(Cl)c1/C=N/c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 6861697 PJLIAXKCEXLDCT-VULFUBBASA-N 384.350 7.212 30 40 GKEB CC(C)c1ccc(/C=N/N=C2\N=C(O)[C@H](Cc3ccc(C(C)C)cc3)S2)cc1 9319418 TXGXNRAOWNLAOD-GQBLCDNYSA-N 393.556 5.938 30 40 GKEB CC[C@@H]1CS/C(=N/c2ccc(OC)cc2)N1Cc1ccc(Cl)cc1Cl 102898810 HYPVLDZTANVWNU-UFIXSJTLSA-N 395.355 6.017 30 40 GKEB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@]43C)[C@H]1C/C(=C\c1cccc(Cl)c1)C2=O 253530046 TXSSXZKDKQSEAN-KOBLPTSNSA-N 397.002 7.335 30 40 GKEB COc1ccc2c(c1)-c1nc(/N=C/c3cccc(Br)c3)sc1CC2 408721957 BRFKFSAPWFJWRP-SRZZPIQSSA-N 399.313 5.430 30 40 GKEB C=CCn1c(-c2ccc(Cl)cc2Cl)csc1=Nc1cccc(C)c1 584905958 PVFZXFLNIMDCNK-UHFFFAOYSA-N 375.324 6.250 30 40 GKEB COc1cc(Cl)cc(/C=N/c2cccc(NC(=O)c3ccccc3)c2)c1O 797375 QHKYLLWUNRYLEK-YDZHTSKRSA-N 380.831 5.057 30 40 GKEB COc1ccc(-c2ccc(/C=N/Nc3nc4ccccc4s3)o2)cc1Cl 4178763 GENLWHYHVMOQSB-SRZZPIQSSA-N 383.860 5.664 30 40 GKEB CCN(CC)c1ccc([C@@H]2Nc3cc4ccccc4cc3C3=C2CCCC3=O)cc1 5321990 BWDJSDXYDFJONL-MHZLTWQESA-N 396.534 6.359 30 40 GKEB Cc1ccc(/N=C(/S)SCc2ccc(Cl)c(Cl)c2)cc1Cl 6488185 GNNLQJKVZHBVAL-UHFFFAOYSA-N 376.761 6.806 30 40 GKEB Cc1ccc(C)c(/N=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2)c1 8367934 GMILVQXPRIWYKN-AFUMVMLFSA-N 392.886 5.725 30 40 GKEB Cc1ccc(-c2nc(/N=C/c3ccc([N+](=O)[O-])cc3)sc2-c2ccccc2)cc1 59463822 NIFVZJMJZZOUMQ-BUVRLJJBSA-N 399.475 6.444 30 40 GKEB CCn1cc(/C=C2\C[C@@H]3[C@H]4CC[C@@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cn1 98087329 BLUXDDQLXIXNPG-GURUJZSNSA-N 380.576 5.898 30 40 GKEB Cc1cccc(Cc2nc(SCc3cccc4ccccc34)nc(N)c2C#N)c1 223671507 JUUAQFMLDMLEPY-UHFFFAOYSA-N 396.519 5.275 30 40 GKEB C=CCSc1ccccc1C(=O)N[C@H]1CC(CC)(CC)Oc2ccccc21 225748690 IVIBNROYAJQNED-IBGZPJMESA-N 381.541 5.777 30 40 GKEB CCn1c(N/N=C/c2ccc(OCc3ccc(C)cc3)cc2)nc2ccccc21 408692511 ODSUAQUXRCSULL-PCLIKHOPSA-N 384.483 5.390 30 40 GKEB C=CCn1c(C)c(/C=C2\S[C](Nc3ccccc3F)NC2=O)c2ccccc21 408818048 OTPZGETVIHFJLQ-UHFFFAOYSA-N 392.479 5.038 30 40 GKEB CC(C)CC/N=C1/NCCCCCCOc2ccccc2Oc2ncccc21 643570801 SDBFIJUSRQZSBE-UHFFFAOYSA-N 381.520 5.209 30 40 GKEB Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1/N=C/c1ccc2c(c1)OCO2 808982 RBNXZHKEDLQMHB-BHGWPJFGSA-N 390.826 5.936 30 40 GKEB COc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2CCCC3=O)cc1OC 817956 NYGJHZGWSJVISO-RUZDIDTESA-N 385.463 5.530 30 40 GKEB biogenic COc1ccccc1C1C2=C(CC(C)(C)CC2=O)OC2=C1C(=O)CC(C)(C)C2 970407 LMRGUWDQLAILLJ-UHFFFAOYSA-N 380.484 5.095 30 40 GKEB N#Cc1ccc(-c2ccc(Cl)c(Cl)c2)nc1Oc1ccccc1Cl 3128315 UVUCYQGNWQSMIX-UHFFFAOYSA-N 375.642 6.373 30 40 GKEB COc1ccc(C(=O)Oc2ccc(C)cc2C(=O)/C=C/c2ccc(F)cc2)cc1 4279033 ZAGFEZPJFLCWKF-AWNIVKPZSA-N 390.410 5.258 30 40 GKEB Cc1ccc(C(c2ccc(/N=C/c3cccc(C)c3O)cc2)c2ccc(C)o2)o1 4280951 GLPMNLCUGYEFFH-CVKSISIWSA-N 385.463 6.434 30 40 GKEB O=C1/C(=C/c2ccccc2)S/C(=N/Cc2ccccc2)N1Cc1ccccc1 4725737 NZYZIAWPURSRKR-YFGQCYJXSA-N 384.504 5.359 30 40 GKEB C[C@@H](Oc1ccc(-c2ccc(C#N)cc2)cc1)C(=O)N[C@H]1CCCc2ccccc21 5406945 BDNHKOIJQCTTKP-CJAUYULYSA-N 396.490 5.186 30 40 GKEB Oc1ccc2ccccc2c1/C=N/c1ccc(Cl)c(-c2nc3ncccc3o2)c1 6829875 HKEMVXQZRVJWMA-LGJNPRDNSA-N 399.837 6.153 30 40 GKEB CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccccc1 9264265 FKJISGVXKYVBPV-IQGLISFBSA-N 398.462 5.200 30 40 GKEB N#Cc1ccc(NC(=O)c2ccccc2Oc2ccc([N+](=O)[O-])cc2Cl)cc1 30953826 RMHIZAXRQCMEOF-UHFFFAOYSA-N 393.786 5.164 30 40 GKEB c1ccc(CC(Cc2ccccc2)=NNc2nc(-c3ccccc3)cs2)cc1 45068167 NOHVVAWJUWQGKD-UHFFFAOYSA-N 383.520 6.063 30 40 GKEB CCCCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)CCC)cc2)cc1 97949728 DXNLJFZXBROIRW-UHFFFAOYSA-N 396.527 6.628 30 40 GKEB CCCCCCCCCCc1c(C)nc(Nc2ccc(Cl)cc2)[nH]c1=O 102241515 NMVQDFYLTGBUCB-UHFFFAOYSA-N 375.944 6.159 30 40 GKEB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)/C(=C\c1ccccc1)C(=O)c1ccccc1 226324249 LHTRLJFFJJYZCU-UQCDLRLHSA-N 390.523 5.957 30 40 GKEB Cc1cc(/C=N/c2ccc(Nc3ccccc3)cc2)c(C)n1-c1ccc(F)cc1 408785701 AVWIJVHDMYPJJK-WPWMEQJKSA-N 383.470 6.727 30 40 GKEB COc1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)cc1Cl 409093619 BIOVIYXERNLLGM-YDZHTSKRSA-N 388.319 6.904 30 40 GKEB Fc1cccc(Cn2ccc3cc(/C=N/c4ccc(Cl)c(Cl)c4)ccc32)c1 409243218 QPMNRUDFCZJMAY-LGJNPRDNSA-N 397.280 6.886 30 40 GKEB C/C=C(\C)[C@@H]1C(C)=C[C@]2(C)C[C@H](C)CC[C@H]2[C@H]1C(=O)C1=C/C(=C/C(C)C)NC1=O 1086455200 TXVWNUBEANXHMB-LHJDOXLCSA-N 395.587 5.753 30 40 GKEB CCc1ccc2oc(-c3cc(/N=C/c4cc(Cl)ccc4O)ccc3O)nc2c1 3032385 DQTBXZZVLWPJAY-WYMPLXKRSA-N 392.842 5.872 30 40 GKEB C/C(=N\Nc1nc(C)nc2sc3c(c12)CCCC3)c1cccc2ccccc12 7141144 OXQCMXHQTGGIJV-VULFUBBASA-N 386.524 5.868 30 40 GKEB CCCCCCCCCCc1ccc(-c2ccc(O[C@@H](C)C(=O)O)cc2)cc1 8383571 HNQDWJNHJPITIS-FQEVSTJZSA-N 382.544 6.889 30 40 GKEB C=CCOc1ccc2ccccc2c1/C=N/NCc1c(Cl)cccc1Cl 9197614 ZXBQBXURIXACQU-ZMOGYAJESA-N 385.294 5.835 30 40 GKEB CCOc1ccc(/N=C/c2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1 18036164 GHGGYFYWDPXANK-LFVJCYFKSA-N 375.424 5.064 30 40 GKEB C[C@H]1[C@@H](c2ccccc2)N(C)[C@H](c2ccccc2)[C@H](C)C1(O)C#Cc1ccccc1 55008576 HMVLFUWQWMPWKQ-XQVMISGQSA-N 395.546 5.469 30 40 GKEB Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2ccc(Cl)cc2Cl)S1 59224320 DKQAPOMNLCMEFI-UUASQNMZSA-N 397.714 5.847 30 40 GKEB O/N=C1/CCCCCC[C@@H]1Sc1nc(-c2ccccc2)c(-c2ccccc2)o1 100938986 JSXAOWJDWBUNRJ-BZSPEZQHSA-N 392.524 6.654 30 40 GKEB C=CCc1c(C)c(C#N)c2[nH]c3ccccc3n2/c1=N\c1ccc(CCCC)cc1 101328250 FFLDHQWHDIBRTQ-FVDSYPCUSA-N 394.522 5.904 30 40 GKEB COc1cc(/N=C2/C=C(O)C[C@H](c3ccc(F)cc3)C2)c(OC)cc1Cl 102679948 PBJHRGATSMGRSR-FRHATRPNSA-N 375.827 5.588 30 40 GKEB Clc1ccc(Cn2cc(/C=N/Nc3nc4ccccc4[nH]3)c3ccccc32)cc1 211184568 DNNQJCCGGHBWII-DHRITJCHSA-N 399.885 5.665 30 40 GKEB C=CCOc1ccc(Cl)cc1[C@@H]1SCC(=O)N1c1ccc(Cl)cc1 408557339 MTXOSMNEGRKJJP-SFHVURJKSA-N 380.296 5.337 30 40 GKEB Cc1cc(/C=N/c2sc3c(c2C#N)CCCC3)c(C)n1-c1ccc(Cl)cc1 408737913 JZWVTDLEXMKVFY-DHRITJCHSA-N 393.943 6.310 30 40 GKEB CCc1ccc(-n2c(C)cc(/C=N\c3ccc(Br)cc3C)c2C)cc1 408758746 QGZDCXOUDKJBQV-OYKKKHCWSA-N 395.344 6.478 30 40 GKEB Cc1ccc(/N=C\c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)c(C)c1 408851049 VDNMUQDHHVWCKP-MSXFZWOLSA-N 380.875 5.813 30 40 GKEB N#Cc1ccc(Oc2ccccc2NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 828233 HUHXRMLGUFQSIM-UHFFFAOYSA-N 393.786 5.164 30 40 GKEB CSC1=N/C(=N\c2c(C)cccc2C)C2(CCCC2)N1c1ccc(Cl)cc1 2271588 ZFMGYXDWWUDKEE-GFMRDNFCSA-N 397.975 6.539 30 40 GKEB CN(C)c1ccc(/C=C(/C(=O)c2ccc(Cl)cc2Cl)n2ccnc2)cc1 4255857 CCDHKARHFUVBEA-ODLFYWEKSA-N 386.282 5.137 30 40 GKEB C(=N/c1ccc(Oc2ccccc2)cc1)\c1ccccc1OCc1ccccc1 5603465 GCWNNLMWJZBJGU-ZXVVBBHZSA-N 379.459 6.809 30 40 GKEB O=c1sc(-c2nc3ccccc3[nH]2)c(/N=C/c2ccccc2)n1-c1ccccc1 13220282 BEMABGSRTGXYOF-BUVRLJJBSA-N 396.475 5.193 30 40 GKEB Cc1nn2c(c1-c1ccc(F)cc1)NC1=C(C(=O)C[C@H](C)C1)[C@H]2c1ccccc1 14163742 BQZFEPXVQWSTGD-QKFKETGDSA-N 387.458 5.266 30 40 GKEB O=[N+]([O-])c1ccccc1/C=N/c1nc(-c2ccccc2)c(-c2ccccc2)s1 59463570 VPULIGLUFWDVSQ-HZHRSRAPSA-N 385.448 6.136 30 40 GKEB O=C(/N=C1\c2ccccc2CN1c1ccccc1)c1ccc(Cl)cc1Cl 102946082 BLPBYNQBFXTEOR-HIXSDJFHSA-N 381.262 5.601 30 40 GKEB C[C@]12CCCC[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(O)C#Cc1ccccc1 245241029 WMAFYLBLTLVKOY-IWQSBPKASA-N 376.584 6.202 30 40 GKEB CCCCCCCCc1ccc(N=Cc2ccc(OCCCCCC)cc2)cc1 256080567 ZIEZBSKSIITGJE-UHFFFAOYSA-N 393.615 8.299 30 40 GKEB Fc1cccc(/C=N/c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)c1 408957315 UDFAXXQEGOXSNU-MFKUBSTISA-N 375.834 6.082 30 40 GKEB Fc1ccc(COc2ccccc2/C=N/c2ccc(Oc3ccccc3)cc2)cc1 409209693 HVCKTJAPKGYVMN-MTDXEUNCSA-N 397.449 6.948 30 40 GKEB O=C(Oc1ccccc1/C=C1\Sc2ccccc2C1=O)c1ccccc1F 13399906 KMSDOXGGXSXPDZ-MOSHPQCFSA-N 376.408 5.374 30 40 GKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1S[C@H]2c1ccc2c(c1)OCO2 14671915 FSSUYOUFHOFOSK-NRFANRHFSA-N 379.481 5.317 30 40 GKEB O=C(/C=C\Nc1cc(Cl)ccc1C(=O)c1ccccc1)c1ccc(Cl)cc1 16477010 RVLGGAFEUCSABM-SEYXRHQNSA-N 396.273 6.033 30 40 GKEB C[C@@H]1CCCCN1Cc1c(O)ccc2c1O/C(=C\c1cc3ccccc3o1)C2=O 20647369 BCLDHZFTYVFEKU-VUZLNAKASA-N 389.451 5.129 30 40 GKEB biogenic Fc1cccc(/C=N\Nc2nc(-c3ccc(Br)cc3)cs2)c1 31854459 SBALSRIRXGFUBA-OCKHKDLRSA-N 376.254 5.158 30 40 GKEB C=CCN(C(=O)c1ccc2c(c1)OCO2)c1nc(-c2ccc(Cl)cc2)cs1 32994607 SHAVLUKTTTZGSN-UHFFFAOYSA-N 398.871 5.025 30 40 GKEB Cc1c(-c2ccccc2)oc2c(-c3nc(C#N)c(NC(C)C)o3)cccc2c1=O 36354287 TWOZZJBXJMIQJD-UHFFFAOYSA-N 385.423 5.115 30 40 GKEB CC1CCN(C/C(O)=N/c2ncc(Cc3cccc(C(F)(F)F)c3)s2)CC1 49640531 OQOMGCVLBAUSPZ-UHFFFAOYSA-N 397.466 5.073 30 40 GKEB CCCCCCCNCc1cc(Cl)c(OCc2ccc(F)cc2)c(OC)c1 102568158 HDUDBCUGNYQEDP-UHFFFAOYSA-N 393.930 6.127 30 40 GKEB O=C(O)c1ccc(-c2ccc(/C=C3\Sc4ccccc4C3=O)o2)cc1Cl 212466557 ZIOMQVRMJBCIHQ-ZDLGFXPLSA-N 382.824 5.628 30 40 GKEB CCCOc1cccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1 408629173 NVJMRTHTZHFUMI-INIZCTEOSA-N 396.556 5.812 30 40 GKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccccc3SC)c2C)cc1 408774774 QRUWXWDMMHBPOB-BUVRLJJBSA-N 392.524 5.743 30 40 GKEB Cc1cccc(/N=C/c2cc(Br)ccc2OCc2ccccc2)c1C 409214019 WTLPYKWEKUNUAX-ZVHZXABRSA-N 394.312 6.396 30 40 GKEB CCN1C(=O)/C(=C\c2ccc(OCC(C)C)cc2)S/C1=N/c1ccc(F)cc1 409253348 UBKVMKJVERCZTO-ATAQLJSPSA-N 398.503 5.484 30 40 GKEB O=C(Nc1cccc(C(F)(F)F)c1)O/N=C1\CCCc2c1[nH]c1ccccc21 1402256 FBNVNRLLTVMELI-YZSQISJMSA-N 387.361 5.476 30 40 GKEB COc1ccc(C(=O)/C=C(\C)Nc2ccc(Br)cc2Cl)cc1 4836746 OHIMLRNRMBMHPU-PKNBQFBNSA-N 380.669 5.310 30 40 GKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cccc4ccccc34)c2C#N)C1 5902743 BEYMBZRSBPAYMY-INIZCTEOSA-N 388.536 6.176 30 40 GKEB CCOc1cc(/C=N/c2ccccc2C)cc(Cl)c1OCc1ccccc1 6959918 FUXCSQBVJCWIDD-MFKUBSTISA-N 379.887 6.377 30 40 GKEB CCOc1ccccc1/C=C1\Oc2cc(OC(=O)C3CCCCC3)ccc2C1=O 9419232 VFZUJAQPAIBSKN-HMAPJEAMSA-N 392.451 5.187 30 40 GKEB C=CCn1c(C)c(/C=C2\SC(Nc3ccc(F)cc3)=NC2=O)c2ccccc21 17299702 FALAEUJRLVTBHT-MOSHPQCFSA-N 391.471 5.357 30 40 GKEB O=C1CCCC2=C1[C@@H](c1c(Cl)cccc1Cl)c1cc3c(cc1N2)OCO3 18196711 HTVHGQHWECTRCU-GOSISDBHSA-N 388.250 5.287 30 40 GKEB CCc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(-c4ccc(F)cc4)o3)S2)cc1 59137704 FIJBPKJUSMXCDK-MOSHPQCFSA-N 392.455 5.540 30 40 GKEB C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](Oc1cc(C)cc(C)c1)c1ccnc2ccccc12 95871177 PVXWNMXRALSXCK-LKSLQULUSA-N 398.550 5.868 30 40 GKEB C=CCOc1ccc(-c2nn3c(-c4oc5ccccc5c4C)nnc3s2)cc1 96194215 FJLYEGLNTCXXHL-UHFFFAOYSA-N 388.452 5.139 30 40 GKEB CC1(C)C[C@H]2C[C@@](C)(CN2CC#CC[C@](O)(c2ccccc2)C2CCCC2)C1 100709921 HTAKNOHRSLCONI-DMDYGQEQSA-N 379.588 5.359 30 40 GKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)S2)cc1 408751596 AGKHIXBIJSZLAR-UNOMPAQXSA-N 394.883 5.800 30 40 GKEB Cc1c(Cl)cccc1/N=C/c1ccc(Sc2ccc(Cl)cc2)s1 409016283 QSPLRCWOHZTNLS-SRZZPIQSSA-N 378.349 7.265 30 40 GKEB O=C1C2=C(Nc3ccccc3S[C@@H]2c2ccc3c(c2)OCO3)c2ccccc21 2241669 PMSPERCAOORMFU-HSZRJFAPSA-N 385.444 5.282 30 40 GKEB Fc1ccc(-c2nc3cc(/N=C/C=C/c4ccc(Cl)cc4)ccc3o2)cc1 2894836 SAROWCZMGXYXPS-HLJIXCGCSA-N 376.818 6.703 30 40 GKEB Cc1cc(/C=N/c2ccc(-c3nc4ccc(C)cc4o3)cc2)c(O)c([N+](=O)[O-])c1 3162659 WLLZLNODYOOMPN-FSJBWODESA-N 387.395 5.476 30 40 GKEB O=C1C[C@@H](c2ccccc2Cl)CC2=C1[C@@H](c1ccco1)Nc1ccccc1N2 4973597 ZTSCBIDDEVDIAB-LFVRLGFBSA-N 390.870 5.913 30 40 GKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CCc3ccccc3)c2C#N)C1 6273012 SVEHVNVCXDKNFH-QGZVFWFLSA-N 380.557 5.732 30 40 GKEB Cc1cc(C(=O)C[n+]2cccc(-c3ccccc3)c2)c(C)n1Cc1cccs1 7761027 GMKCGCRLARKKHC-UHFFFAOYSA-N 387.528 5.052 30 40 GKEB CC/N=c1\scc(-c2ccc(C)c(C)c2)n1/N=C/c1ccc(SC)cc1 12660880 KLZLLHVSKASLBV-WUWLJUPKSA-N 381.570 5.358 30 40 GKEB CCc1nc(SCc2nc3ccccc3[nH]2)c(C#N)c(C(F)(F)F)c1C 12860816 QDDUFPOQJRYTRE-UHFFFAOYSA-N 376.407 5.012 30 40 GKEB Cc1ccccc1COc1ccc2c(c1)O/C(=C\c1cn(C)c3ccccc13)C2=O 28182500 GEIUQPAZNKHPED-MXAYSNPKSA-N 395.458 5.682 30 40 GKEB CCc1ccc(-c2nc3ccc(/N=C/c4cc(Cl)ccc4O)cc3o2)cc1 98086882 YKXUICMGMCUVND-ZMOGYAJESA-N 376.843 6.167 30 40 GKEB O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(F)(F)C(F)(F)C(F)(F)F 102058285 PGLDKRLBGBPOJC-UHFFFAOYSA-N 391.592 5.130 30 40 GKEB Cc1nn(C)cc1/C=C1/C[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)C1=O 118916066 KVDDTNQRMJYZPQ-IYAYUISCSA-N 380.576 5.724 30 40 GKEB COC(=O)c1cccc(/N=C/c2ccc(Sc3ccc(C)cc3)cc2)c1C 409253283 TVWSCYDJGHXZEC-BUVRLJJBSA-N 375.493 5.992 30 40 GKEB CC(C)(C)Oc1ccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc1 1531383379 HPSYHZFZTPPTGZ-YZSQISJMSA-N 397.478 5.123 30 40 GKEB N#Cc1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccc(C#N)cc2)cc1 1911925524 DPLPIRSOTGOWHR-UHFFFAOYSA-N 382.466 6.437 30 40 GKEB N#Cc1c(Cl)nsc1-c1ccc(CSc2ccc(Cl)cc2)cc1 2380510 SHIKCSNPLYOBLM-UHFFFAOYSA-N 377.321 6.281 30 40 GKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@H]2c1ccc2c(c1)OCO2 4036865 UDCFQKNUOXREII-JOCHJYFZSA-N 398.462 5.164 30 40 GKEB Cc1ccc(C)c2nc3c(cc12)CN(C1CCC(C)CC1)/C(=N\CC(C)C)S3 4969523 WSBPJDCPWMKPKR-OCOZRVBESA-N 395.616 6.350 30 40 GKEB C=CCOc1ccc(/C=C2\SC(=S)N(c3ccc(CC)cc3)C2=O)cc1 5372123 FUQJKPWZCXRUBB-RGEXLXHISA-N 381.522 5.220 30 40 GKEB C(=N/Nc1ncnc2scc(-c3ccccc3)c12)\c1cccn1-c1ccccc1 5490035 IDSJVTSEAOGFNE-VULFUBBASA-N 395.491 5.595 30 40 GKEB N#Cc1ccc(COC(=O)[C@@H]2CCCC[C@H]2c2nc3ccccc3s2)cc1 5938688 LFBSULNROOVKIS-QZTJIDSGSA-N 376.481 5.185 30 40 GKEB COc1ccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1OC 8209433 SZMRBHMDAFAZCT-WGOQTCKBSA-N 375.512 5.922 30 40 GKEB C=CCOc1ccc(/C=C2/S/C(=N/c3cccc(Cl)c3C)NC2=O)cc1 8277575 MXEANKLLKZSKMY-LDADJPATSA-N 384.888 5.105 30 40 GKEB N#Cc1ccc(CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 9833742 BJTVYUUZJVTNIM-UHFFFAOYSA-N 380.476 5.370 30 40 GKEB O=C1N/C(=N/c2ccc3ccccc3c2)S/C1=C/c1ccc(Cl)cc1Cl 35647496 USCNSQPBJCGHNM-VCHYOVAHSA-N 399.302 6.038 30 40 GKEB C(=N/Nc1nc(-c2ccccc2)c2ccccc2n1)\c1ccc2ncccc2c1 46085278 GRDBJRVTQMXHJB-WGOQTCKBSA-N 375.435 5.291 30 40 GKEB CC/C(C)=N\Nc1nc2cc(C)c(NC(=O)c3ccc(C)cc3)c(C)c2s1 72228581 WTKWKZVWJLXEAZ-OYKKKHCWSA-N 380.517 5.672 30 40 GKEB CCCCCCCCCCCCCCCCCCC1C(=O)NC(=O)NC1=O 100712628 DMRDXWXRTPVDFU-UHFFFAOYSA-N 380.573 5.620 30 40 GKEB N#CCCSc1ccccc1NC(=O)c1cnc(-c2ccccc2Cl)s1 108200747 QPBFDIKMHAKZCE-UHFFFAOYSA-N 399.928 5.722 30 40 GKEB C=CCOC(=O)c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 216818640 ADSXDVLSCPUQKO-UHFFFAOYSA-N 381.653 5.024 30 40 GKEB CCCCCCCOc1ccccc1/C=C1\N=C(c2ccc(Cl)cc2)OC1=O 408737887 YYCVESBWQKMFPT-SILNSSARSA-N 397.902 6.034 30 40 GKEB CC(=O)Oc1ccc(/C=N\c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 409216822 LVPHPVWBFALQQE-XLFQKYORSA-N 380.513 5.447 30 40 GKEB O=C1/C(=C/c2ccc(OCc3cccc4ccccc34)cc2)Cc2ccccc21 409367486 BJRBJCUXGOMOIM-XQNSMLJCSA-N 376.455 6.241 30 40 GKEB O=C1C(=Cc2ccccc2OCc2cccc3ccccc23)C(=O)c2ccccc21 409392201 NWPXBLPYBDQVEM-UHFFFAOYSA-N 390.438 5.881 30 40 GKEB CCc1nc(SCc2ccc(Cl)cc2Cl)c(C#N)c2c1CCCC2 1894915 VHAZJZRKIFNABB-UHFFFAOYSA-N 377.340 5.994 30 40 GKEB O=C(/C=C/c1ccccc1Cl)Oc1ccc(/C=N/c2ccc(F)cc2)cc1 2707050 JSYRFZOWNMQQCD-KBUKTMQNSA-N 379.818 5.849 30 40 GKEB biogenic,in-vitro Cc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3ccc(Cl)cc3)cc1)N2 4181634 VPIGVRSDCDFOAW-NACLWLQGSA-N 398.937 7.226 30 40 GKEB Clc1ccc2nc(N/N=C/c3c[nH]c4ccccc34)nc(-c3ccccc3)c2c1 4932079 CUIOPZHZWNDLCX-VULFUBBASA-N 397.869 5.878 30 40 GKEB O=C(/C=C/c1cccn1-c1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1 5335787 KRIONOPZNHZZFC-BQYQJAHWSA-N 376.670 6.334 30 40 GKEB COc1ccc([C@@H]2C[C@@H]2/C(=N/OC(=O)c2cccs2)c2ccccc2)cc1 5527070 JSQYHPONISJPOF-SJYAKKJOSA-N 377.465 5.122 30 40 GKEB CC(C)c1nc(C#N)c(N/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)o1 6754591 BJVDQBHTSUQUHV-YSURURNPSA-N 388.349 5.394 30 40 GKEB CCOc1cc(/C=N/c2ccc(OC)cc2)ccc1OCc1ccccc1F 6961627 HYTKDJJFDDPYMH-MFKUBSTISA-N 379.431 5.563 30 40 GKEB C=CCn1c(SCc2c(F)cccc2F)nnc1-c1ccc(Cl)cc1 16788854 NFGXPDHCAJPJHM-UHFFFAOYSA-N 377.847 5.355 30 40 GKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C=CCC[C@]4(C)[C@H]3CC[C@@]21C 22054945 TTXJJFWWNDJDNR-CZRUWHASSA-N 382.632 7.373 30 40 GKEB biogenic,in-vitro CCC1([C@@](O)(C#CCN(Cc2ccccc2)C(C)C)c2ccccc2)CCCC1 57234780 MSKSHBGXNMDJDX-HHHXNRCGSA-N 389.583 5.759 30 40 GKEB C=CCn1cc(/C=C2/S/C(=N/c3ccccc3)N(CC)C2=O)c2ccccc21 96624566 AXNQPNLGISYTIH-NEHLPSIOSA-N 387.508 5.451 30 40 GKEB CC[C@@H](C)Oc1ccc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1OC 408967285 UJROSRVRAPBWFP-OOWUWCJESA-N 396.512 5.073 30 40 GKEB Cc1ccc(/N=C\c2cccc(OS(=O)(=O)c3ccc(Cl)cc3)c2)c(C)c1 409210886 HJTXYQUBPWGYNM-UCQKPKSFSA-N 399.899 5.475 30 40 GKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2cc(C(=O)OC)ccc2C)cc1OC 409378139 MMBGJUMTBPJWNF-CHOFVFFHSA-N 389.879 5.372 30 40 GKEB O=C1CCCC2=C1[C@@H](c1ccsc1)CC(=O)N2c1cccc(C(F)(F)F)c1 1080482 IQRDANKRWOULMV-OAHLLOKOSA-N 391.414 5.295 30 40 GKEB O=[N+]([O-])c1ccc2c(c1)C(=Nc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1-2 1602537 VBAKYNBPOBXNOG-UHFFFAOYSA-N 379.759 5.306 30 40 GKEB N#C[C@]12CCCC[C@H]1C(c1ccccc1)[C@H]1CCCC[C@@]1(C#N)N2c1ccccc1 2250557 KTRYHAULWNUHQF-KHCVRNMTSA-N 395.550 6.196 30 40 GKEB Cc1ccc(/C(=N/c2cc(C)nn2-c2cccc(Cl)c2)C(F)(F)F)cc1 3345110 GOJJSYWVECDDNC-MOHJPFBDSA-N 377.797 5.826 30 40 GKEB C/C(=N\Nc1nc(-c2ccc(Cl)cc2)nc2ccccc12)c1ccc(F)cc1 4832112 KDHIIMKXZCBSDJ-MZJWZYIUSA-N 390.849 5.925 30 40 GKEB C/C(=N\Nc1c(Cl)cc(Cl)cc1Cl)c1ccc(-n2ccnc2)cc1 4863972 IYKJXNZFLLIKMY-SSDVNMTOSA-N 379.678 5.669 30 40 GKEB COc1cc(/C=C2\S/C(=N/c3cccc(C(F)(F)F)c3)N=C2O)ccc1O 6641566 ZOKSGBRBJQEDQO-NVNXTCNLSA-N 394.374 5.152 30 40 GKEB CCCCCCCCCCCCCCCCCC[N+]1(CCCC)CCOCC1 104183491 ZGEWFNFDCQXIGP-UHFFFAOYSA-N 396.724 7.895 30 40 GKEB CCCCCCCC/C=C\CCCCCCCC1=NC(C)(C)CN1C(C)C 104326510 QKZQHDILYLURDR-YPKPFQOOSA-N 376.673 7.925 30 40 GKEB Cc1ccc(/C=C2/C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)o1 252515705 MWZAYFFYSWKEHF-IGUMYKIMSA-N 380.528 5.474 30 40 GKEB CCc1cccc(C)c1-n1c(C)cc(/C=N\c2cccc(Cl)c2Cl)c1C 408960701 OBBGZQIADIMJQT-MXAYSNPKSA-N 385.338 7.022 30 40 GKEB CC(C)CN1C(=O)/C(=C/c2ccc(O)cc2)S/C1=N/c1ccc(Cl)cc1 409080510 IHIIMFYOUQNUAD-OADBCFLWSA-N 386.904 5.306 30 40 GKEB CC(C)Oc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 409091796 UVKWKVIWDYWQDN-YSGZUTGPSA-N 380.557 6.309 30 40 GKEB CC1=NOC(=O)/C1=C\c1cc(Cl)c(OCc2ccc(C)cc2)c(Cl)c1 409093033 XOAOODOEOHDOBK-CHHVJCJISA-N 376.239 5.197 30 40 GKEB CCc1ccc(/C=C2\S/C(=N\c3ccc(Cl)c(Cl)c3)NC2=O)cc1 5551623 PISFSHBUCOHBBW-SXGWCWSVSA-N 377.296 5.447 30 40 GKEB Cc1cccc(N/N=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)c1 5571173 XDQHULRSFOOSHS-NHFJDJAPSA-N 377.491 6.911 30 40 GKEB FC(F)Sc1ccc(/N=C2\NN=C(c3c[nH]c4ccccc34)CS2)cc1 5694275 VWBBSNZZZFZCKA-UHFFFAOYSA-N 388.468 5.211 30 40 GKEB Cc1nc(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)c(C#N)c(C)c1C 7058923 BZGYOYHJZFXLOP-UHFFFAOYSA-N 395.572 5.856 30 40 GKEB COc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1OCc1ccc(F)cc1 8371770 XGEONNHJYXDWEK-DHRITJCHSA-N 383.850 6.126 30 40 GKEB CCn1cc(/C=C2/C[C@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cn1 118916076 BLUXDDQLXIXNPG-JSSMYMEDSA-N 380.576 5.898 30 40 GKEB Cc1cc2c(cc1/C=N/c1ccc(C(C)C)cc1)[C@@H](C)CC(C)(C)N2C(C)C 223617922 BVWZPRBOJFGJMU-BJRSOBTISA-N 376.588 7.370 30 40 GKEB Cc1oc(/N=C/c2cn(Cc3ccccc3C#N)c3ccccc23)c(C#N)c1C 409177259 FZHNUHFOYMDIQL-UVHMKAGCSA-N 378.435 5.393 30 40 GKEB Fc1cccc(Cn2ccc3cc(/C=N\c4ccc(F)c(Cl)c4)ccc32)c1 409238187 WCBOLNRARFMRNT-ZMFRSBBQSA-N 380.825 6.372 30 40 GKEB Cc1cccc(/N=C/c2c(O)c(Br)cc3oc4c(c23)CCCC4)c1 2292419 KISZVUWNERLBFJ-SSDVNMTOSA-N 384.273 5.839 30 40 GKEB CCOc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1OCc1ccc(C)cc1 6959833 HAHQMRMWKNYYEY-CVKSISIWSA-N 393.914 6.685 30 40 GKEB CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC)C2=O)cc1OC 8362913 RRWLXTAGAFPREG-QNQNADBQSA-N 396.512 5.026 30 40 GKEB O=C1CCCC2=C1[C@@H](c1cccs1)N(Cc1ccccc1)c1ccccc1N2 21722482 NVCXNOQXVFZHRB-XMMPIXPASA-N 386.520 5.929 30 40 GKEB C=CCOc1ccc(/C=N/c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 59483136 IEHRCKKNFUSMOB-NLRVBDNBSA-N 379.463 5.855 30 40 GKEB C=CCN1C(=O)S/C(=C\c2cc3c(cc2C)N(CC)C(C)(C)C=C3C)C1=O 208531933 YVUJYPPKBHGRLO-UNOMPAQXSA-N 382.529 5.239 30 40 GKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(/N=C/c3ccccc3O)cc1)N2 253572727 QNKUYWSGQXXETI-OEXDJZRPSA-N 380.491 6.278 30 40 GKEB CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccc(Br)cc2)c1C 408853679 WOCCNUQYVBAYKP-ZVHZXABRSA-N 395.344 6.478 30 40 GKEB Cc1ccc(/N=C/c2ccc(OCc3cccc4ccccc34)cc2)cc1Cl 409213521 UFHKITFSBYAYOT-JVWAILMASA-N 385.894 7.131 30 40 GKEB O=C(Oc1ccc(/C=N/Cc2ccco2)cc1)c1sc2ccccc2c1Cl 1098342 SCTPBSWYJWPMSI-FSJBWODESA-N 395.867 5.986 30 40 GKEB Oc1c(F)cccc1/C=N/c1ccc2oc(-c3ccc4ccccc4c3)nc2c1 1434403 HLVAUGQVKKHANE-VULFUBBASA-N 382.394 6.243 30 40 GKEB CN(C)c1ccc(/C=N/CC[C@H](c2ccccc2)[C@@H]2CCOC(C)(C)C2)cc1 4785752 XWCIXZHNWBURHK-SNPOBSPBSA-N 378.560 5.551 30 40 GKEB COc1ccc(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2cccs2)cc1 5670384 OAANGLUEPJCFPT-KAMYIIQDSA-N 386.476 5.506 30 40 GKEB Clc1ccc(Oc2cccc(/C=N/Nc3ccc(Cl)c(Cl)c3)c2)cc1 5893124 HWZKSCKZYHEMBY-FSJBWODESA-N 391.685 6.885 30 40 GKEB O=C1/C(=C/c2cccs2)S/C(=N\c2ccccc2)N1CCc1ccccc1 18179343 YCLHWJHRABQPON-GAADFGEESA-N 390.533 5.595 30 40 GKEB COc1ccccc1/C(O)=N/c1c(NC2CCCCC2)c2ccccc2oc1=O 21155924 ZHMNKTKFNQLRDR-UHFFFAOYSA-N 392.455 5.183 30 40 GKEB Cc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1ccc(C(C)(C)C)cc1 111458957 MELZMWRHTFKVHQ-CFRMEGHHSA-N 391.475 5.141 30 40 GKEB Cc1ccc(-c2ccc(/C=N\c3ccccc3Br)o2)cc1C(=O)O 408852789 NKGFOGQMHUKFAM-NHDPSOOVSA-N 384.229 5.466 30 40 GKEB N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCC[C@@H]2CC2(F)F)cc1Cl 598649229 KXUZEXXKBKGRLV-RHSMWYFYSA-N 389.833 5.162 30 40 GKEB CC(C)(C)c1ccc(Oc2cc(C#N)c(C#N)cc2-n2nnc3ccccc32)cc1 1443158 COLRXZVYXQOJOE-UHFFFAOYSA-N 393.450 5.254 30 40 GKEB CCCCCCCn1c(=O)c(C(=O)Nc2ccc(F)cc2)c(O)c2ccccc21 2291691 HMRYZEDONYXVDX-UHFFFAOYSA-N 396.462 5.069 30 40 GKEB CCCCCCCCC(=O)Nc1cc2ncnn2c(SCc2ccccc2)n1 3770917 VLJQRTZPFVFKHV-UHFFFAOYSA-N 397.548 5.106 30 40 GKEB O=C(c1ccc(/N=C/[C@@H]2CC=CCC2)cc1)N(c1ccccc1)c1ccccc1 4359618 IUGGJHOXHBMINO-HKSLHJNNSA-N 380.491 6.724 30 40 GKEB CC(C)Sc1nc(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)c1C#N 4950056 JVCOWIAQNHKFAC-UHFFFAOYSA-N 399.346 7.095 30 40 GKEB CCOc1cc(Br)cc(/C=N/c2ccccc2[C@@H](C)CC)c1O 6449788 DCRTUSBDXBDQOU-XMOVILSBSA-N 376.294 5.818 30 40 GKEB O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)c1ccccc1Br 6597349 LFDAUCLOXZWKOS-PKNBQFBNSA-N 387.660 6.259 30 40 GKEB CCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)O 62240562 MSUOLNSQHLHDAS-HSZRJFAPSA-N 384.645 7.644 30 40 GKEB endogenous,in-man O=C(/C=C/c1ccccc1)OCCOc1ccc(/C=C/C(=O)c2ccccc2)cc1 68591998 XWOHHCSZHHLAAJ-HBKJEHTGSA-N 398.458 5.218 30 40 GKEB COc1cc(CNc2oc(C(C)C)nc2C#N)ccc1OCc1ccccc1F 72427744 ACWJNMJQIZEXIF-UHFFFAOYSA-N 395.434 5.008 30 40 GKEB Cc1ccc(-c2nc3ccc(/N=C/c4c(O)ccc5ccccc45)cc3o2)cc1 102417466 JMFJNFNCODJXQR-CVKSISIWSA-N 378.431 6.413 30 40 GKEB CCOC(=O)c1ccc(/N=N/c2ccc(N(CCC#N)CCC#N)cc2C)cc1 104283857 DXZDIMFXDBISEA-OCEACIFDSA-N 389.459 5.221 30 40 GKEB N#CCCN(CCC#N)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2Cl)cc1 256928182 ZXXVVTBKBDDTSE-UHFFFAOYSA-N 382.811 5.297 30 40 GKEB COC1(O[C@@H]2CC[C@@H]3[C@@H]4CCC5=CC(=O)CC[C@@H]5[C@H]4CC[C@]23C)CCCCC1 263604975 PDQOGUSADHBBIM-RFZFRQTISA-N 386.576 5.820 30 40 GKEB Cc1cc(/C=C/C(=O)c2ccccc2)c(C)n1-c1ccc(C(=O)OC(C)C)cc1 408622530 PVJGCXLQOBOJDX-NTCAYCPXSA-N 387.479 5.555 30 40 GKEB CC(C)/N=C1\S/C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)N1C(C)C 409203151 UUJIZDFGWFCFRS-NFEGURHZSA-N 394.540 5.355 30 40 GKEB C=C(C)COc1ccc2c(=O)c(-c3ccc(Br)cc3)c(C)oc2c1 1463977 JUDWUEZYBAICQZ-UHFFFAOYSA-N 385.257 5.486 30 40 GKEB biogenic C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)[C@H](C)CCC3 2298095 QKXOADDWWODRFX-OAHLLOKOSA-N 396.581 5.864 30 40 GKEB S=c1[nH]nc(C2CCCCC2)n1/N=C\c1c2ccccc2cc2ccccc12 2335530 TXGKXBYXNQLSSL-IWIPYMOSSA-N 386.524 6.177 30 40 GKEB C=CCn1c(SCc2ccccc2Cl)nnc1-c1cccc(Cl)c1 2444057 BYCXUYLZNBJWHD-UHFFFAOYSA-N 376.312 5.730 30 40 GKEB C/C(=N/O)c1ccc(OCCCCCCOc2ccc(/C(C)=N/O)cc2)cc1 4996319 PSLLPDPNNOVIKM-QFFDILLMSA-N 384.476 5.101 30 40 GKEB Cc1ccc(/C(=N\c2ccccc2)NC(=S)Nc2c(C)cc(C)cc2C)cc1 6390549 DFFPLZLQNNIQNH-UHFFFAOYSA-N 387.552 5.985 30 40 GKEB Cc1nn(Cc2ccccc2)c(Cl)c1/C=N/Nc1ccccc1C(F)(F)F 6674007 KTGSPIJSCAIVLC-BHGWPJFGSA-N 392.812 5.358 30 40 GKEB FC(F)(F)c1cnc(N/N=C(\S)Nc2ccccc2Cl)c(Cl)c1 8692230 KXLWGISGAYOVMY-UHFFFAOYSA-N 381.210 5.132 30 40 GKEB CCn1c(SCc2ccc(-c3ccccc3C#N)cc2)nnc1-c1ccco1 14189806 SFAURHYWMCCLQE-UHFFFAOYSA-N 386.480 5.389 30 40 GKEB CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N\c1cccc(C)c1 33714721 XCUNMPLPOYAVPY-QHQVFXOCSA-N 395.553 5.379 30 40 GKEB CCCCCCCCOc1ccc(C(=O)Oc2ccc(/C(CC)=N/O)cc2)cc1 59663654 ZXNZYRFDYPMUPB-WJTDDFOZSA-N 397.515 6.233 30 40 GKEB COc1ccc(N/C=C/c2onc(-c3c(Cl)cccc3Cl)c2C#N)cc1 100363754 QRCXOIVDURCPLT-MDZDMXLPSA-N 386.238 5.611 30 40 GKEB C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1C/C(=C/c1ccc(Cl)cc1)C2=O 105371576 WCHUABIOEGJTRD-YCIBVDBCSA-N 392.926 6.164 30 40 GKEB Cc1cc2c(cc1/C=N/Nc1ncccc1[N+](=O)[O-])[C@H](C)CC(C)(C)N2C(C)C 223587270 UZCWIOQLDKRBNB-ANDSAHIGSA-N 395.507 5.245 30 40 GKEB C=CCN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 224707501 YVEFQGLIIRXJPS-UHFFFAOYSA-N 376.692 5.028 30 40 GKEB Clc1cccc(/N=C\c2ccccc2I)c1Cl 408550844 KFZQAOSWIFPYKJ-IUXPMGMMSA-N 376.024 5.349 30 40 GKEB CSc1ccc(/C=C2/SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)cc1 408749966 VMZHLBPGUQGCOM-OVCLIPMQSA-N 395.336 5.607 30 40 GKEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/c2ccc(Nc3ccccc3)cc2)o1 408960781 IXKJRLAEBHYKEQ-WGOQTCKBSA-N 396.446 6.447 30 40 GKEB CCOc1ccc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)c2ccccc12 408968004 YLRCTONLFAXATL-DEDYPNTBSA-N 392.455 5.269 30 40 GKEB COc1cc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)ccc1O 408976764 GJAYWNKPKVLMGD-ZVHZXABRSA-N 392.524 6.323 30 40 GKEB C=CCOc1ccccc1/C=N/c1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 409087050 FWBWWBBFDWMDCA-STPJHCLOSA-N 378.541 6.086 30 40 GKEB C#CCOc1c(Cl)cc(CNc2ccc(Oc3ccccc3)cc2)cc1Cl 409122029 WSFMVCLFTTYMHA-UHFFFAOYSA-N 398.289 6.410 30 40 GKEB COc1ccc(/C=N/c2ccc3oc(-c4cccc(Cl)c4)nc3c2)cc1Cl 3050668 FOWQNLKEDYLHRA-WYMPLXKRSA-N 397.261 6.561 30 40 GKEB Cc1cc(O)c(/C=N/c2ccc(-c3nc4c(C)cccc4o3)cc2)c(C)c1Cl 3083406 FNIINXOCJPQLLM-BRJLIKDPSA-N 390.870 6.530 30 40 GKEB Cc1c(/C=N/c2cc(C(C)(C)C)ccc2O)c(O)n2c(nc3ccccc32)c1C#N 5490203 JBNJOJVVAFKESV-LGJNPRDNSA-N 398.466 5.127 30 40 GKEB CCOc1ccc(/N=C/c2ccc(OCc3cccc(F)c3)c(OC)c2)cc1 6962532 XRDTYUMOZTVQBM-MFKUBSTISA-N 379.431 5.563 30 40 GKEB COc1ccc(SCCCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 10217998 GWHUTDOVVLHMTD-UHFFFAOYSA-N 386.542 5.018 30 40 GKEB N#Cc1c(/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2c1CCCC2 59426349 NDOQKCDGBALLJN-WSDLNYQXSA-N 377.425 5.417 30 40 GKEB CCCCCCCCSc1ccc(-c2ccc(CCCCCCC)cn2)cc1 100566247 DXZHBYHDUQQWDS-UHFFFAOYSA-N 397.672 8.714 30 40 GKEB CCCCCCCCCCCc1ccc(/C=C2/N=C(c3ccc[nH]3)C=C2OC)[nH]1 100900047 HIYSWASSDOXZLC-HKOYGPOVSA-N 393.575 6.790 30 40 GKEB in-vitro CCCCCCCCCCCCNC(=S)N/N=C/c1ccc([N+](=O)[O-])cc1 104373399 TWJRLEDTLXGCRW-OQKWZONESA-N 392.569 5.314 30 40 GKEB C#CCN1C(=O)S/C(=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@H]3C)C1=O 260572250 UCYUDACGLLCXOY-SDLDRHLBSA-N 396.556 5.165 30 40 GKEB COc1cccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)c1OC 408909283 GXQJBPPUGGKOAY-NMSSZPRHSA-N 396.512 5.025 30 40 GKEB CC1=NOC(=O)/C1=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 409084941 YIQZHOUVEWGVKQ-MLPAPPSSSA-N 396.657 5.542 30 40 GKEB C=CCc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc(OCC)c1OCC 409107084 URJSRYOZLSCCPU-BRJLIKDPSA-N 393.409 5.072 30 40 GKEB Cc1ccc(Oc2ccc(/N=C/c3ccc(N4CCOCC4)c(F)c3)cc2)cc1 409149022 WALZMXXKAAIJMD-YZSQISJMSA-N 390.458 5.514 30 40 GKEB COc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCc1cccc(F)c1 409218377 UTQWGOJDKGJVBY-DHRITJCHSA-N 383.850 6.126 30 40 GKEB Cc1ccc2ccccc2c1C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575242965 MNHOTBWSXMGOSB-UHFFFAOYSA-N 388.229 5.799 30 40 GKEB C[C@@H]1CCc2c(sc(NC(=O)COc3ccccc3C(C)(C)C)c2C#N)C1 947399 JYYDKIXRNQJWQU-CQSZACIVSA-N 382.529 5.060 30 40 GKEB Cc1cc(C(=O)Nc2scc(-c3ccc(Cl)cc3Cl)c2C#N)c(C)o1 1003137 SULZHJMKOWWENI-UHFFFAOYSA-N 391.279 6.056 30 40 GKEB CCCCCCCOc1ccc(C(=O)Oc2cc(=O)oc3ccccc23)cc1 2441146 QODRYPLUTRUZHY-UHFFFAOYSA-N 380.440 5.361 30 40 GKEB COc1c(Cl)cc(Cl)cc1/C=N/Nc1nc(-c2ccccc2)c(C)s1 5610754 OBJIGSVYZKTFJO-UFFVCSGVSA-N 392.311 5.880 30 40 GKEB C(=N/c1cccc(-c2c[nH]cn2)c1)\c1nc2ccccc2n1Cc1ccccc1 5785546 CHAMKJBQSXXVJF-CVKSISIWSA-N 377.451 5.225 30 40 GKEB C=CCOc1ccc(C(=O)N(Cc2ccco2)Cc2ccccc2Cl)cc1 6810627 LGKFKBZQZMLEGA-UHFFFAOYSA-N 381.859 5.340 30 40 GKEB CSc1nc(Nc2ccccc2F)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 19820324 KBHQSXZUKTZDRW-UHFFFAOYSA-N 392.503 5.917 30 40 GKEB O[C@@](CC#CCN1CCCCC1)(c1ccccc1)c1ccc(-c2ccccc2)cc1 67319115 IJKQYPDFUACQFQ-NDEPHWFRSA-N 395.546 5.469 30 40 GKEB Cc1ccc(C(=O)C2=C(Sc3ccccc3)[C@H]3CC[C@H](C3)C2=O)c(Cl)c1 95868190 GXIBSEUJNVVETO-CABCVRRESA-N 382.912 5.877 30 40 GKEB CCCCCCCCNC(=O)c1ccc(NC(=O)CCc2ccccc2)cc1 100025447 WPUSVEHJHPNJRN-UHFFFAOYSA-N 380.532 5.348 30 40 GKEB Cc1ccccc1-c1nc2cc(/N=C/C=C/c3cccc([N+](=O)[O-])c3)ccc2o1 100501555 XDHGUBUUZTVAEU-FKORGFIESA-N 383.407 6.127 30 40 GKEB O=C(/N=C1/N=C2C=CC=CN2Cc2ccccc21)c1ccc(-c2ccccc2)cc1 102944814 BOXKJHDSGJCEAP-AZPGRJICSA-N 389.458 5.238 30 40 GKEB C=CCN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccc(OC)c(C)c1 224656559 GTDFXKANRQEXQR-UHFFFAOYSA-N 393.508 5.052 30 40 GKEB Cc1ccc(-c2ccc(C#N)c(SCc3cc4c(cc3Cl)OCO4)n2)cc1 706765 LZPLTCVWJTUUKM-UHFFFAOYSA-N 394.883 5.603 30 40 GKEB O=[N+]([O-])c1ccc(N/N=C/C2=C(/C=C/c3ccccc3)CCCC2)c([N+](=O)[O-])c1 4273527 LPUAUBBPEGJXFR-LHHFMTGBSA-N 392.415 5.485 30 40 GKEB N#Cc1c(/N=C/c2cccc(Cl)c2)oc(-c2ccccc2)c1-c1ccccc1 4713403 MRTSBMWVCIZMDF-JVWAILMASA-N 382.850 6.889 30 40 GKEB COc1cc(/C=C/C(=O)c2ccccc2)ccc1OCc1ccccc1Cl 6338084 RWAODMXCOMBDJH-ACCUITESSA-N 378.855 5.824 30 40 GKEB COc1cc(/C=N/c2cccc(Cl)c2C)ccc1OCc1ccccc1F 8277965 SXTNVLXLDNINPE-DHRITJCHSA-N 383.850 6.126 30 40 GKEB CC1(C)Cc2c(C#N)c(NCCc3ccccc3)nc(-c3ccccc3)c2CO1 13763442 KJKSBQVCJNGKOA-UHFFFAOYSA-N 383.495 5.126 30 40 GKEB O=[N+]([O-])c1ccc(F)c(/C=N/Nc2c(Cl)cc(C(F)(F)F)cc2Cl)c1 66088696 VELQFLHZUSBLEB-AERZKKPOSA-N 396.127 5.506 30 40 GKEB Oc1ccccc1/C=N\c1ccc2nc(SCc3ccccc3)sc2c1 104213505 ODJHYWOPWSOUPI-XKZIYDEJSA-N 376.506 6.045 30 40 GKEB C[C@H]1CCc2nc(SCc3ccccc3F)c(C#N)c(C(F)(F)F)c2C1 663878 BGMWHPVMSKBVNT-NSHDSACASA-N 380.410 5.528 30 40 GKEB CCC(=O)Oc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1 1279839 LPSHAGAMTUFCKH-QHCPKHFHSA-N 390.483 5.224 30 40 GKEB O=C1/C(=C/c2ccccc2)CC[C@]12C[C@@H]1CCCC[C@]1(O)O[C@@H]2c1ccccc1 2106545 NKLXMIJMKFCEFM-KQZYTOEYSA-N 388.507 5.460 30 40 GKEB biogenic COc1ccc([C@H]2N(c3ccccc3)OC(=O)N2c2ccc(Cl)cc2)cc1 2252732 WEJQANXFPQWXPX-HXUWFJFHSA-N 380.831 5.426 30 40 GKEB CCOC(=O)c1c(C)nc2c(C#N)c(C)n(-c3ccccc3)c2c1-c1ccccc1 2281104 BXFFTZSULWCUHZ-UHFFFAOYSA-N 395.462 5.358 30 40 GKEB C(=N/c1ccccc1)\C1=C(c2ccccc2)Oc2ccccc2[C@@H]1c1ccccc1 2902860 SXVUZNJHWGLXJY-JMZGHDDKSA-N 387.482 7.025 30 40 GKEB CSC1=N/C(=N\c2cccc(C)c2)C2(CCCCC2)N1c1ccccc1C 3663427 AIHDKFFJZZBTLL-FLFQWRMESA-N 377.557 6.276 30 40 GKEB N#Cc1ccc(CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)cc1 4329372 JHWZZLFITYKGIU-UHFFFAOYSA-N 394.931 5.878 30 40 GKEB C/C(=N\Nc1ccccc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 4930560 XYCHKUKXVHTWLQ-KGENOOAVSA-N 392.371 5.131 30 40 GKEB Cc1nn2c(-c3ccc(Cl)cc3Cl)c(C#N)c(N)nc2c1-c1ccccc1 5678001 ZHIVTLFFQCJETN-UHFFFAOYSA-N 394.265 5.132 30 40 GKEB Cc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1[N+](=O)[O-] 6278658 FBFGEEHADPMBSU-CQSZACIVSA-N 397.500 5.240 30 40 GKEB C#CCOc1c(Br)cc(/C=N/c2ccc(C)c(C)c2)cc1OCC 6959227 CQFVRSBOEPFNOM-LPYMAVHISA-N 386.289 5.227 30 40 GKEB CCCCCCCCCCCCCCn1c2c(c(=N)c3c1CCC3)CCCC2 8453938 PGKDJYQLKOMVTI-UHFFFAOYSA-N 384.652 7.036 30 40 GKEB O=C1/C(=C\c2ccccc2)CCC/C1=C/c1ccc(O)c(CN2CCCCC2)c1 8665903 KQXDRRPPRVKAFE-IDUDEYGOSA-N 387.523 5.598 30 40 GKEB O=C1/C(=C/c2ccccc2)Oc2cc(OCc3c(F)cccc3Cl)ccc21 11869296 RPHMECSUEOCHSR-NHDPSOOVSA-N 380.802 5.674 30 40 GKEB C=C1C(C)(C)[C@@H]2CC[C@]1(C(=O)N(Cc1cccnc1)Cc1ccccc1OC)C2 100731371 FZSILBDNDZMALB-BWKNWUBXSA-N 390.527 5.002 30 40 GKEB CC1(C)C[C@H]2C[C@@](C)(CN2/C=N/c2sc3c(c2C#N)CC(C)(C)NC3(C)C)C1 101059057 KOPQVOOZGXDPKL-KQHXOBIOSA-N 398.620 5.340 30 40 GKEB O=C(O)c1ccc(Cn2cc(/C=N\c3ccccc3Cl)c3ccccc32)o1 408542005 IXHYFGGBWSBTSD-KSEXSDGBSA-N 378.815 5.385 30 40 GKEB CCOc1cccc(/N=C\c2ccccc2OCc2ccc(C(=O)O)cc2)c1 408853850 YJCXWQDLUVKFBT-IWIPYMOSSA-N 375.424 5.113 30 40 GKEB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N/c2ccc3ncccc3c2)c1C 408914537 QIPUYWNPNCJLCJ-VULFUBBASA-N 383.451 5.400 30 40 GKEB COc1cc(N2CCCCC2)ccc1/C=N/c1ccc(Nc2ccccc2)cc1 409239177 GUWPEYVDOIGUMP-LGUFXXKBSA-N 385.511 6.180 30 40 GKEB CCCC(=O)c1c(C)cc(C)c([C@@H]2CC(=O)C(/C(C)=N/OCC)=C(O)C2)c1C 521218418 UDCNVZNMZRVYGV-FLVDCRJSSA-N 385.504 5.266 30 40 GKEB C[C@@H]1Nc2nc3ccccc3n2C(c2cccc(F)c2)=C1C(=O)c1ccccc1 1080229 SJMHENUYUCPNCC-HNNXBMFYSA-N 383.426 5.132 30 40 GKEB biogenic,in-vitro CCCCCCCCCC(=O)Oc1ccccc1N1C(=O)c2ccccc2C1=O 2068250 GUBSRCCRTWXLAN-UHFFFAOYSA-N 393.483 5.533 30 40 GKEB CCCOC(=O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N 2197359 FDUPPQAGGMLORO-UHFFFAOYSA-N 388.492 5.333 30 40 GKEB Cc1cccc(/N=C/c2c(O)c(Br)cc3oc4c(c23)CCCC4)n1 2270168 ITRIDFSBRUYNNZ-UFFVCSGVSA-N 385.261 5.234 30 40 GKEB N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCc1ccccc1F 4119040 BVZKYAKHDHFTSI-UHFFFAOYSA-N 396.490 6.719 30 40 GKEB CCOc1cc(/C=N/c2cccc(Cl)c2C)cc(Br)c1OC 6959096 SNXMMSIRBGGBQD-KEBDBYFISA-N 382.685 5.569 30 40 GKEB N#CCOc1ccc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1 7096710 OEYUZRAQORMCMQ-UMFSSWHCSA-N 378.475 6.082 30 40 GKEB C=CCOc1ccccc1[C@@H]1CC(O)=Nc2c1c(C)nn2-c1cccc(F)c1 13552956 UUIOLIZUXWVCRM-SFHVURJKSA-N 377.419 5.008 30 40 GKEB C#CCn1cc(CN(Cc2cccnc2)Cc2ccccc2F)c2ccccc21 13569012 AZEJXNLRHMPNFF-UHFFFAOYSA-N 383.470 5.011 30 40 GKEB CC(C)C(=O)Nc1sc(N/N=C/c2cccc(Cl)c2)nc1-c1ccccc1 16806428 VOGNLQPEYJKLJO-WSDLNYQXSA-N 398.919 5.504 30 40 GKEB CCCCCCC(=O)/C=C\c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1 17105358 VAKQPAWUSSIBFA-SSZFMOIBSA-N 381.428 5.367 30 40 GKEB COc1ccccc1CN/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 20761716 JHABUOKIXDIRHL-FSJBWODESA-N 375.255 5.386 30 40 GKEB Cc1cc2c(cc1C)CN(c1ccc(/N=C/c3cccc4ccccc34)cc1)C2 100102534 LBVSBIXVKCLGQN-LQKURTRISA-N 376.503 6.727 30 40 GKEB COc1ccc(Br)c(C=Nc2ccc(Nc3ccccc3)cc2)c1O 257345402 LXKHRQKSOJVHLO-UHFFFAOYSA-N 397.272 5.658 30 40 GKEB CCOC(=O)c1c(/N=C\c2ccccc2O[C@@H](C)CC)sc2c1CCCC2 408603416 QRWGKRYRTMUZHV-DZIKBWIISA-N 385.529 5.732 30 40 GKEB Cc1cc(/C=N/c2ccc(C3CCCCC3)cc2)c(C)n1-c1cccc(Cl)c1 408755571 QVIPJKPKKUAHAB-WPWMEQJKSA-N 390.958 7.546 30 40 GKEB Cc1cc(C(=O)O)ccc1/N=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1 409233887 ULDBPSDHKBPGPZ-WGARJPEWSA-N 386.426 5.586 30 40 GKEB Cc1c(/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)cccc1C(=O)O 409240869 QIPWXQYKAZNPJF-WGARJPEWSA-N 386.426 5.586 30 40 GKEB CCCCCCCOc1ccc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)cc1 2248944 MZMQMGDDPDARRF-PGMHBOJBSA-N 381.447 5.519 30 40 GKEB N#Cc1c(/N=C/c2ccc(-c3ccc4c(c3)COC4=O)o2)sc2c1CCCC2 3671737 BFGOAELTEZZKOC-BHGWPJFGSA-N 388.448 5.180 30 40 GKEB CCc1ccc(/C(C)=N/Nc2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1 5318332 ONOMWTMCOMNQLP-VUTHCHCSSA-N 392.506 6.209 30 40 GKEB COc1ccc(/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 8116666 SQQZSUXFNRJOAR-ZMOGYAJESA-N 386.278 6.332 30 40 GKEB CCOc1ccc(C(=O)/C(=C/C=C/c2ccco2)c2nc3ccccc3o2)cc1 9530484 KIJQMPIOJFRQHK-DDMRJVITSA-N 385.419 5.799 30 40 GKEB COc1ccc(C(=O)/C(=C/c2ccc(C)o2)c2nc3ccccc3o2)cc1OC 9576040 QRDLLHQIJKWNJL-LGMDPLHJSA-N 389.407 5.170 30 40 GKEB Cc1cc([N+](=O)[O-])c(-c2ccc(/C=C3\Sc4ccccc4C3=O)o2)cc1Cl 12445199 RZTZWTUZTLQBOJ-OCKHKDLRSA-N 397.839 6.146 30 40 GKEB CC(C)n1c(Sc2ncccc2C#N)nnc1-c1ccc(Cl)cc1Cl 12740761 MRRKCLBZQRLGJA-UHFFFAOYSA-N 390.299 5.251 30 40 GKEB Cc1noc2c1[C@@H](c1ccc(Cl)cc1Cl)C1=C(CC(C)(C)CC1=O)N2 21660302 HGEDOJKAJDKNKU-MRXNPFEDSA-N 377.271 5.490 30 40 GKEB Cc1ccccc1-n1c(-c2ccc(Br)cc2)cnc1SCC#N 44086895 ONVFPUABJVKOKZ-UHFFFAOYSA-N 384.302 5.226 30 40 GKEB Cc1ccc2nc(N/N=C/c3cccc4cccnc34)nc(-c3ccccc3)c2c1 46085309 RZHTZQRQQPFCMV-JVWAILMASA-N 389.462 5.599 30 40 GKEB COC(=O)c1ccc(/N=C/c2ccc(N3Cc4cc(C)c(C)cc4C3)cc2)cc1 59501487 YVLBCZDGMLKHQJ-VULFUBBASA-N 384.479 5.361 30 40 GKEB CN(C)[C@@H](CNc1oc(-c2cccs2)nc1C#N)c1ccc(C(C)(C)C)cc1 96346219 VEMFCJKFYQKBPT-SFHVURJKSA-N 394.544 5.287 30 40 GKEB CCOc1cc(/C=N/c2ccc(N3Cc4cc(C)c(C)cc4C3)cc2)ccc1O 100223682 FZTLYAXSLDXRIB-VULFUBBASA-N 386.495 5.679 30 40 GKEB CCCCCCCCCCCCNC(=O)C(=O)Nc1ccc(OCC)cc1 100999168 JOMALUXTZZAKJY-UHFFFAOYSA-N 376.541 5.061 30 40 GKEB CCCCCCCCOc1ccc(C(=O)Oc2ccc(C=O)cc2OC)cc1 101005228 WFQBVGAPCFUIDR-UHFFFAOYSA-N 384.472 5.466 30 40 GKEB CC(C)(C)Oc1ccc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 101470637 IMPRNNDRBYWZPX-UHFFFAOYSA-N 396.249 5.515 30 40 GKEB CCCCCCCNCc1ccc(OCc2ccccc2Cl)c(OCC)c1 102568270 DDNBZEUUYXXBBI-UHFFFAOYSA-N 389.967 6.378 30 40 GKEB C/N=c1/scc(-c2ccc(Cl)cc2Cl)n1/N=C/c1ccccc1F 103371906 HBCPKQKWUVPBFG-VFXHURPISA-N 380.275 5.075 30 40 GKEB Cc1ccc(/C=C/C(=O)c2c(C)nc3cc(Cl)ccc3c2-c2ccccc2)o1 226777027 YVAPWOWVIUXTDY-ACCUITESSA-N 387.866 6.661 30 40 GKEB COc1ccc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]3(C)C2=O)cc1 245241829 QMUTWRBFFVDYDU-JHJLEOOKSA-N 388.507 5.520 30 40 GKEB CCC(C)(C)[C@@H]1CCC(=O)/C(=C/Nc2ccc(I)cc2)C1 408562730 AVOORJCKEYFRSI-XTZCOPOCSA-N 397.300 5.392 30 40 GKEB Cc1cc(C=N/N=C/c2cc(C)n(-c3ccccc3)c2C)c(C)n1-c1ccccc1 408738881 PPWWEDYEESHUEN-WCLXIJTESA-N 394.522 5.955 30 40 GKEB O=C1NC(=Nc2ccccc2)S/C1=C\c1ccc(Sc2ccccc2)o1 408754266 JTJLMMWSUNDBLB-LGMDPLHJSA-N 378.478 5.322 30 40 GKEB COc1cccc(/N=C\c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c1 408805257 FMPROPOAVUKESC-OYKKKHCWSA-N 394.858 5.117 30 40 GKEB Cc1cc(/C=N\c2ccc(Cl)cc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 408857912 NOAKLEQRHBOYQG-KSEXSDGBSA-N 387.266 5.850 30 40 GKEB Cc1ccc(NC(=O)COc2cccc(/C=N\c3ccc(Cl)cc3)c2)cc1C 409385271 HDJVFNSVNHSTGG-QFEZKATASA-N 392.886 5.725 30 40 GKEB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)C(=Cc1ccccc1)C(=O)c1ccccc1 2049243834 LHTRLJFFJJYZCU-UCFCWBNQSA-N 390.523 5.957 30 40 GKEB N#Cc1c(-c2ccc(Cl)cc2)ccnc1Sc1cccc(C(F)(F)F)c1 4053726 VGOYSDCQYQNKJY-UHFFFAOYSA-N 390.817 6.444 30 40 GKEB CCOC(=O)c1ccc(-c2ccc(/C=C/C(=O)c3ccc(OC)cc3)o2)cc1 4340682 PDMKCMOMDFDYDT-WYMLVPIESA-N 376.408 5.028 30 40 GKEB COc1ccc(/C=C2/S/C(=N/c3cc(Cl)ccc3C)NC2=O)cc1Cl 17167327 NJWCZZDKNXLHSL-LZYBPNLTSA-N 393.295 5.202 30 40 GKEB C=CCOc1ccc(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1 28287998 UCTKVDMLYYXSRJ-UHFFFAOYSA-N 398.915 5.001 30 40 GKEB O=C(/C=C/Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(Cl)cc1Cl 59942139 DMJCZTDDCBMHOE-AATRIKPKSA-N 394.607 6.474 30 40 GKEB COc1cc(-c2nc3ccccn3c2/N=C/c2cccc3ccccc23)ccc1O 100507503 YZBITJNZSGATBI-WGOQTCKBSA-N 393.446 5.619 30 40 GKEB O=[N+]([O-])c1ccc(/C=N\[C@@H]2CCCc3c2[nH]c2ccc(Br)cc32)cc1 101094686 FEDSOFNUAPJYJU-UTYYKHSJSA-N 398.260 5.335 30 40 GKEB COc1ccc(/N=C/c2ccccc2OCc2ccc(C(=O)O)cc2)cc1Cl 137579699 LAUFLPQSTZHNPX-ZMOGYAJESA-N 395.842 5.376 30 40 GKEB O=C(O)c1ccc(Cl)c(-c2ccc(/C=C3/Sc4ccccc4C3=O)o2)c1 139102284 ZAIJEFRSGGUKBX-VCHYOVAHSA-N 382.824 5.628 30 40 GKEB N#CCc1ccc(NC(=S)NC2(CCc3ccc(Cl)cc3)CCCC2)cc1 225853330 QPLMZRRKWKCFIO-UHFFFAOYSA-N 397.975 5.638 30 40 GKEB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1C/C(=C\c1cccc(F)c1)C2=O 245242042 XTIQNVKIJGLRLG-WFJQYXISSA-N 380.547 6.821 30 40 GKEB CC[C@H](C)N1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)S/C1=N\c1ccc(C)cc1 408916236 WJQJVLVYADIWJN-OTFYDCBPSA-N 395.484 5.306 30 40 GKEB CC1=NOC(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 408939018 LNCSSCTZQXFMSF-MKMNVTDBSA-N 396.657 5.542 30 40 GKEB Cc1ccc(/N=C\c2ccc(Sc3ccc(Cl)cc3)s2)cc1[N+](=O)[O-] 409015555 OCWGLADUVXEBAT-JAIQZWGSSA-N 388.901 6.520 30 40 GKEB FC(F)(F)c1ccc(N/N=C/c2ccc(N3CCCC3)c3ccccc23)nc1 409100516 UBQDJLMYWUMJKC-LGJNPRDNSA-N 384.405 5.300 30 40 GKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3cccc(C(F)(F)F)c3)c2C#N)C1 409203316 VKTLXYLHXUMTDJ-RYFLRGTGSA-N 390.474 6.540 30 40 GKEB COc1ccc(-c2nc(-c3ccc(C#N)cc3)[nH]c2-c2ccc(OC)cc2)cc1 845895 UXRLYFRMELACOM-UHFFFAOYSA-N 381.435 5.300 30 40 GKEB Oc1ccc(Br)cc1/C=N/c1ccc2oc(-c3ccccc3)nc2c1 1027658 ADXBWSNQGSUCEE-WSDLNYQXSA-N 393.240 5.714 30 40 GKEB Fc1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccccc2)cc1 1780512 YRUDEURCJXILBU-BUVRLJJBSA-N 388.471 5.259 30 40 GKEB CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CCC4=C(CC[C@@]4(C)C#CCl)[C@@H]3CC[C@@]2(C)C1 3843622 FNGHATOLMPZLFG-XYSHCKNMSA-N 388.979 6.231 30 40 GKEB CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccccc1Cl 4066966 MPZHQXFMUXFKJL-LJQANCHMSA-N 389.882 5.278 30 40 GKEB N#Cc1c(SCc2cccc(F)c2)nc2c(c1C(F)(F)F)CCCCCC2 4620402 MODWQQXNINLAEF-UHFFFAOYSA-N 394.437 6.062 30 40 GKEB COc1ccc(/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1OC 5918220 OXWGABSARQQFMS-SSDVNMTOSA-N 376.239 6.021 30 40 GKEB COc1c(Cl)cc(Cl)cc1/C=N/Nc1nc(-c2ccc(C)cc2)cs1 6215266 RFOIDRRANMNQDM-ZVBGSRNCSA-N 392.311 5.880 30 40 GKEB CC(/C=C1\S/C(=N/c2cccc(C(F)(F)F)c2)N=C1O)=C\c1ccccc1 6780313 JUQFGVQOLJBRKI-NEOBQEPSSA-N 388.414 6.384 30 40 GKEB CCCOc1c(Br)cc(/C=N/c2ccccc2)cc1Br 6880640 MFGOGGMANDBZRG-YBFXNURJSA-N 397.110 5.751 30 40 GKEB Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/NCc2ccccc2Cl)c1C 8811703 WHZQQUCYPJMLSY-ZMOGYAJESA-N 396.878 5.088 30 40 GKEB Cc1ccsc1/C=C1\Oc2cc(OCc3cccc(Cl)c3)ccc2C1=O 13769801 XOBPTMAPVIEWKG-ODLFYWEKSA-N 382.868 5.905 30 40 GKEB N#Cc1cccc(CSc2nnc(-c3cccc(F)c3)n2-c2ccccc2)c1 16523742 PVDAQOKXZSYXEW-UHFFFAOYSA-N 386.455 5.237 30 40 GKEB Cc1ccc(/N=C2/N[C@@](c3ccccc3)(C(F)(F)F)Oc3ccccc3O2)cc1 17186062 FJFQTWNUMOLOMV-OAQYLSRUSA-N 398.384 5.459 30 40 GKEB CCCCCCCn1c([C@H]2CC(=O)N(c3ccc(C)cc3)C2)nc2ccccc21 50860605 LWUZRMFGGANPSV-FQEVSTJZSA-N 389.543 5.836 30 40 GKEB COc1ccc(/C=C/C(=O)c2c(C)nc3ccccc3c2-c2ccccc2)cc1 58196727 SFLGQYHVCCJNFC-SAPNQHFASA-N 379.459 6.115 30 40 GKEB CCCCCCCCCCCc1c(O)c(=O)c2sc3ccccc3[nH]c=2c1=O 100392834 JEKFSIONWFAFNT-UHFFFAOYSA-N 399.556 5.453 30 40 GKEB biogenic,in-vitro Cc1cc(C)cc(NC2=C(c3ccc(C(F)(F)F)cc3)C(=O)c3ccccc32)c1 101091566 YVYOPYKCZJEGAW-UHFFFAOYSA-N 393.408 6.499 30 40 GKEB CC(C)c1ccc(C(=O)/C=C(O)\C(O)=C/C(=O)c2ccc(C(C)C)cc2)cc1 104192565 WKQHRMWIKFUUPP-RNIAWFEPSA-N 378.468 5.883 30 40 GKEB Cc1ccc(NC(=O)COc2cccc(/C=N\c3ccccc3Cl)c2)cc1C 409371502 WUOXXWPDEFWPJE-QFEZKATASA-N 392.886 5.725 30 40 GKEB C=CCN(C(=O)c1cccc(C(=O)N(CC=C)c2ccccc2)c1)c1ccccc1 3158674 JFHGUOQLSLQZOT-UHFFFAOYSA-N 396.490 5.352 30 40 GKEB Cc1ccc(O)c(/C=N/c2ccc3oc(-c4ccc(C(C)(C)C)cc4)nc3c2)c1 3162685 CGGGGPWHHORQKE-CVKSISIWSA-N 384.479 6.557 30 40 GKEB CN(C)c1ccc(/C=N/c2sc3c(c2C#N)CCCC3)cc1Br 3205817 NCCPBOPLGMOUIX-SRZZPIQSSA-N 388.334 5.078 30 40 GKEB Cc1cccc(-c2nc3n(n2)[C@H](c2cccc(C)c2)C2=C(CC(C)(C)CC2=O)N3)c1 4279863 APTXIHPPAUFKPC-JOCHJYFZSA-N 398.510 5.220 30 40 GKEB Cc1ccc(-n2nc(C)c3c2NC2=C(C(=O)CC(C)(C)C2)[C@@H]3c2ccco2)cc1 4948417 KNLAMGXQWHZMLW-JOCHJYFZSA-N 387.483 5.283 30 40 GKEB Fc1ccccc1-c1nc2cc(/N=C/c3cccc(Br)c3)ccc2o1 5771924 ONORNJBEAJZPHF-FSJBWODESA-N 395.231 6.147 30 40 GKEB Cc1cc(/N=C(/S)SCc2ccc(Cl)cc2)ccc1Br 6484547 RBROLQBJSVMMTO-UHFFFAOYSA-N 386.767 6.262 30 40 GKEB O=C(/C=C/Sc1ccc(Cl)cc1Cl)c1ccc(Br)cc1 6863180 SBMRERXVNDXDIG-BQYQJAHWSA-N 388.113 6.245 30 40 GKEB N#C[C@H](c1ccc([N+](=O)[O-])cc1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 12630262 HCYFSMAEWOXBOE-DHIUTWEWSA-N 382.423 5.011 30 40 GKEB Cc1cc(N(CCC#N)CCC#N)ccc1/N=N/c1ccc(Br)cc1 18082108 DKQSXXDUZJNYDQ-WCWDXBQESA-N 396.292 5.807 30 40 GKEB COc1cccc(CO/N=C/c2ccc(-c3cc(C(F)(F)F)ccn3)cc2)c1 22873189 MVTDQORWKMWNCL-LGJNPRDNSA-N 386.373 5.327 30 40 GKEB COc1cc(/C=N/c2ccc(F)c(C)c2)ccc1OCc1cccc(C(=O)O)c1 59248629 QZFDVJBEAYUETR-DHRITJCHSA-N 393.414 5.171 30 40 GKEB C[C@@H]1CCc2c(-c3ccccc3)nc(S[C@@H]3CCCCC3=O)c(C#N)c2C1 95117611 WQKZEWZCQGTVCD-QVKFZJNVSA-N 376.525 5.349 30 40 GKEB CCCCCCCOc1ccc(/C=N/c2ccc(CCCCCCC)cc2)cc1 100171940 UGRAHPUNPGQELT-WEMUOSSPSA-N 393.615 8.299 30 40 GKEB O=C(/N=C1\c2ccccc2CN1c1ccc(SC(F)F)cc1)c1ccccc1 102498524 VJXJSQPHYLXJTM-LKUDQCMESA-N 394.446 5.609 30 40 GKEB C=CC[N+]1(CCCCCCCCCCCCCCCC)C[C@H]2CCCC[C@H]2C1 104377629 GRILYUYBBYWNKB-FITHBNAOSA-N 390.720 8.291 30 40 GKEB CCc1cccc(C)c1-n1c(C)cc(/C=N/c2cccc(C(=O)OC)c2C)c1C 137310874 KQPODYMPCJLHLZ-CVKSISIWSA-N 388.511 5.811 30 40 GKEB N#Cc1cc(Cl)c(OCc2ccc(F)cc2Cl)c(Br)c1 226339675 CRRZMMNKPZLNIO-UHFFFAOYSA-N 375.024 5.346 30 40 GKEB Cc1oc(/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c(C#N)c1C 408589120 KQOYDZZZOQATLM-YSURURNPSA-N 386.282 6.233 30 40 GKEB CCn1c(N/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)nc2ccccc21 408692744 UGJSJUWSMOGQQF-FSJBWODESA-N 399.281 6.069 30 40 GKEB CCCCCCCCCCCCNC(=O)C(=O)Nc1ccc(OC(C)C)cc1 408708919 NFISHJZFIUMPJQ-UHFFFAOYSA-N 390.568 5.449 30 40 GKEB COCc1cc(C)nc(N/N=C\c2c3ccccc3c(C)c3ccccc23)c1C#N 408999251 UFGGZBUSVQRIBF-VYYCAZPPSA-N 394.478 5.469 30 40 GKEB Cc1ccc(COc2ccc(/C=N/c3ccccc3C)cc2Br)cc1 409211247 NDQSADHEIOFHPO-ZVHZXABRSA-N 394.312 6.396 30 40 GKEB Cc1ccc(S[C@@H](C(=O)c2ccccc2)[C@H](c2ccccc2)C(C#N)C#N)cc1 1445614 UHLJGOQBZSPDSD-ILBGXUMGSA-N 396.515 5.786 30 40 GKEB C(=N/c1ccc(/N=C/c2ccc3ccccc3c2)cc1)\c1ccc2ccccc2c1 2816538 HGWGGYVQMKPRGQ-CZYCKNNWSA-N 384.482 7.494 30 40 GKEB Cn1c(=O)c(C(=O)/C=C/c2ccco2)c(-c2ccccc2)c2cc(Cl)ccc21 4318415 RUSGHNZHIOZCRH-ZRDIBKRKSA-N 389.838 5.348 30 40 GKEB CC[C@@H]1S/C(=N/N=C/c2cccc3ccccc23)N(Cc2ccccc2)C1=O 4898497 ANHBODYUXROSCJ-PTHMFHIQSA-N 387.508 5.084 30 40 GKEB CCN1/C(=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)Sc2ccccc21 100265656 UXLACJIILMJOEW-CMAOETQDSA-N 376.525 5.343 30 40 GKEB O=C1/C(=N\c2ccc(Oc3ccccc3)cc2)c2ccccc2N1c1ccccc1 100327218 VGDRXUZZWBBWQM-RFBIWTDZSA-N 390.442 6.278 30 40 GKEB CCN1c2ccc(/C=N\NC(=S)Nc3ccccc3)cc2[C@@H](C)CC1(C)C 223531204 LCRNWCMFHHSZHG-VBHMAFOESA-N 380.561 5.119 30 40 GKEB C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl 224928926 DGELRQPBJWXKFZ-UHFFFAOYSA-N 376.692 5.028 30 40 GKEB C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@@H]3[C@@H]1CC[C@H]2OC(=O)CCC1CCCC1 253618104 REWKEGSQGOSEES-VEFUSMDZSA-N 398.587 6.010 30 40 GKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3cc(Cl)ccc3C)c2C)cc1 408768294 FADQNZQLUBPVPB-AFUMVMLFSA-N 394.902 5.983 30 40 GKEB N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccc(Cl)c(Cl)c2)C1=O 409174001 PEMFGZVYCBICQI-LZYBPNLTSA-N 389.263 5.102 30 40 GKEB CCOc1cc(N(CC)CC)ccc1/C=N/c1sc2c(c1C#N)CCCC2 2079968 ZVTBXIIQEOUYES-BUVRLJJBSA-N 381.545 5.494 30 40 GKEB CN(CCC#N)C(=O)/C(=C/c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1 3238199 OLEWLPJSTLEORX-HKOYGPOVSA-N 384.454 5.405 30 40 GKEB CCCC[C@H]1S/C(=N/N=C/c2ccc(C)cc2)N(Cc2ccccc2)C1=O 4899218 NGSNJSSGLRAOBF-ANTKNQIZSA-N 379.529 5.019 30 40 GKEB COc1ccc(/C=C/C(=O)c2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1 5210599 FJPBIFLQMLXVKN-XNTDXEJSSA-N 389.407 5.079 30 40 GKEB COc1ccc2[nH]cc(/C=N/Nc3ncnc4scc(-c5ccccc5)c34)c2c1 5532118 CLBCBEOSSAGBCH-KBKYJPHKSA-N 399.479 5.294 30 40 GKEB CCOc1cc(/C=N/c2ccc(OC)cc2)ccc1OCc1ccc(C)cc1 6961239 MWMCOEVENKPULI-PCLIKHOPSA-N 375.468 5.732 30 40 GKEB CC(=O)/C(Sc1nnc(-c2ccccc2Cl)n1-c1ccccc1)=C(/C)O 15218344 FHQVYPYFONNOOD-SFQUDFHCSA-N 385.876 5.058 30 40 GKEB CN(C)c1ccc(NC2=NC(=N/c3ccccc3)/C(=N/c3ccccc3)S2)cc1 17252211 ZVDZXGJOEJSOLX-LVWGJNHUSA-N 399.523 5.728 30 40 GKEB COc1ccc(/C(CCCCCC/C(=N\O)c2ccc(OC)cc2)=N\O)cc1 100514297 RTPYQQFQMYVZHY-MMUCEYJRSA-N 384.476 5.101 30 40 GKEB COc1ccc(Br)c(/C=N/c2ccc(Cl)c(Cl)c2)c1O 100933689 WAFKVCFFZNYXAQ-CNHKJKLMSA-N 375.049 5.221 30 40 GKEB CCCCCCCCCCNC(=S)N1CCN(c2ccccc2Cl)CC1 100986861 KMDDPBDJHJAYKC-UHFFFAOYSA-N 396.044 5.477 30 40 GKEB CCOc1c(Cl)cc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc1Cl 408532863 WKXFHGAATUDUNK-GDNBJRDFSA-N 393.295 5.284 30 40 GKEB N#Cc1ccccc1CO/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 408590110 GDBJZDRMJBLYDW-MZJWZYIUSA-N 383.426 5.251 30 40 GKEB Cc1cc(/C=N\c2cccc(Cl)c2Cl)c(C)n1-c1cccc(Cl)c1 408760088 RJPMIUJECMSUCS-KSEXSDGBSA-N 377.702 6.805 30 40 GKEB COc1ccccc1Oc1ccc(/N=C/c2cc(C)n(-c3ccccn3)c2C)cc1 409248854 RRNZGCZGJCVBNX-WPWMEQJKSA-N 397.478 6.041 30 40 GKEB O=C(Oc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O)c1ccc(F)cc1 2428066 KCLBRWYEECUODM-JAIQZWGSSA-N 394.785 5.315 30 40 GKEB CCC[C@H]1C2=C(CCCC2=O)Nc2c1c(C)nn2-c1ccccc1C(F)(F)F 4948751 VKWCBUUXIKJYCN-CYBMUJFWSA-N 389.421 5.516 30 40 GKEB COc1ccc2nc(/C=C/c3ccccc3)cc(N/N=C/c3ccccc3O)c2c1 5257389 WNPWIUKDLBJIDV-YXAHNRLDSA-N 395.462 5.565 30 40 GKEB CCc1c(C)c(C#N)c2nc3ccccc3n2c1N/N=C/c1ccccc1Cl 5459018 YCTHRDGPQVLPHH-DHRITJCHSA-N 387.874 5.329 30 40 GKEB CCN(CC)c1ccc(/N=C2/NC(=O)/C(=C/c3ccccc3Cl)S2)cc1 6869812 YWBWDEPGLRBIHD-AQTBWJFISA-N 385.920 5.078 30 40 GKEB CC(C)c1ccc([C@H](NC(=O)COc2ccc(C#N)cc2)c2cccs2)cc1 9982894 RMZMWQVTPISLSZ-QHCPKHFHSA-N 390.508 5.028 30 40 GKEB Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCc3ccccc3)n2)cc1 13371940 YHVKPXPCEHMRIO-UHFFFAOYSA-N 392.527 6.888 30 40 GKEB Cc1nc(/C=C/c2ccc(C#N)cc2)sc1C(=O)/C=C/c1ccc(C#N)cc1 58356126 WMJMEHALUHVKRE-DCIPZJNNSA-N 381.460 5.261 30 40 GKEB CCCCCCCCCCOc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1 98048836 LFLNYGRMNDVWJX-NRFANRHFSA-N 376.541 5.507 30 40 GKEB C/C(=N\Nc1cccc(C(F)(F)F)c1)c1sc2nc(C)nc(C)c2c1C 98054393 PQYNJKGINIZNRG-BHGWPJFGSA-N 378.423 5.471 30 40 GKEB CCN1C(=O)/C(=C2/C=Cc3ccccc3N2CC)S/C1=N\c1ccccc1 100071409 HIALQXVPHUVVIG-HJNOIYEVSA-N 375.497 5.034 30 40 GKEB C#Cc1ccc2c(c1)C(CCCCCC)(CCCCCC)c1cc(C#C)ccc1-2 118134286 YWZACOPYIXYBNQ-UHFFFAOYSA-N 382.591 7.857 30 40 GKEB C=CCOc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)cc1 408877315 UPUDFRMJVXTQES-PDGQHHTCSA-N 384.888 5.105 30 40 GKEB Cc1cc(-c2ccc(/N=C/c3cccnc3)c(C)c2)ccc1/N=C/c1cccnc1 725584 RGDQJCKXNWTYLQ-YAGSLNJISA-N 390.490 6.262 30 40 GKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@H]2c1ccc([N+](=O)[O-])cc1 820245 HHYWDJNNVCCUOM-JOCHJYFZSA-N 398.462 5.949 30 40 GKEB C=CCSc1ncnc2c1sc1nc(CCC)c3c(c12)CC(C)(C)OC3 1793001 UOIPYWVVMOWERO-UHFFFAOYSA-N 385.558 5.321 30 40 GKEB O=C(/C=C/Sc1c(Cl)cccc1Cl)c1cccc(Br)c1 3120352 VDGZQMHUBXVFIJ-BQYQJAHWSA-N 388.113 6.245 30 40 GKEB O=C1N/C(=N/c2ccc(Cl)c(Cl)c2)S/C1=C/c1cccc2ccccc12 5551558 HDQSOPMFELCKEP-VCHYOVAHSA-N 399.302 6.038 30 40 GKEB CCCC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 12660689 XMMKRJBCWGTPOS-XMVNXQOFSA-N 386.576 5.866 30 40 GKEB N#Cc1c(N)nc2c(c1N)[C@H](c1ccccc1Cl)c1ccc3ccccc3c1O2 22145499 LAMURORXXOFACK-GOSISDBHSA-N 398.853 5.210 30 40 GKEB CCC(/C=C\c1ccccc1)=N\NC(=S)N/N=C(/C=C\c1ccccc1)CC 104312427 SJZONJBEAGQWKJ-RRBNNQGSSA-N 390.556 5.409 30 40 GKEB C=CCOc1cccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1 408574065 IEKJZONHLTUEDC-UHFFFAOYSA-N 398.506 5.062 30 40 GKEB Cc1oc(/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c(C#N)c1C 408586962 DHEHDKAKXYNVRD-FOKLQQMPSA-N 396.288 5.689 30 40 GKEB Cc1ccc(C(=O)/C=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)cc1 408692671 RYJDRAVXVDYTJK-FOCLMDBBSA-N 399.921 6.856 30 40 GKEB C(=N/c1ccccn1)\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 408730757 HPYUJSZADXDEMH-MWAVMZGNSA-N 399.497 6.957 30 40 GKEB CC(C)(C)Oc1ccccc1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O 409400624 ADPXUPSGSNEUJW-UHFFFAOYSA-N 397.478 5.123 30 40 GKEB CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc2ccccc2c1 5250340 ZKHLHNVWZCOGDL-UHFFFAOYSA-N 376.463 6.127 30 40 GKEB CCc1ccc(/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 8084801 QBEPNKNKJFOPAT-BUVRLJJBSA-N 390.439 5.495 30 40 GKEB CCc1ccc(/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 8085104 SARFHZVFFVZFBM-AFUMVMLFSA-N 384.306 6.885 30 40 GKEB C=CCOc1ccc(C(=O)N(Cc2ccccc2Cl)c2ccccn2)cc1 28293478 WUTSCZAIZKPOJB-UHFFFAOYSA-N 378.859 5.147 30 40 GKEB Cc1cc(/C=N/c2ccc(C(C)C)cc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 59678970 GPSJQGUDPKNPES-DHRITJCHSA-N 394.902 6.320 30 40 GKEB Cc1ccc2nc(N/N=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)sc2c1 98086927 OELRFAXJMSPDJH-JAIQZWGSSA-N 378.413 5.219 30 40 GKEB C=CCN1C(=O)S/C(=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C=C3C)C1=O 223518539 ICJNLLFXVYLDQT-NDENLUEZSA-N 396.556 5.628 30 40 GKEB CCCCOC(=O)c1ccc(/N=C/c2cccn2-c2ccc(Cl)cc2)cc1 408854091 XHSWZIIYSGIGOG-LFVJCYFKSA-N 380.875 5.838 30 40 GKEB Cc1ccc(-n2c(C)cc(/C=N/Nc3ccc(C(F)(F)F)cn3)c2C)cc1C 409072223 MRHVILRSOTWUKQ-KBKYJPHKSA-N 386.421 5.571 30 40 GKEB COC(=O)c1cc(-c2ccc(/C=C3\Cc4ccccc4C3=O)o2)ccc1Cl 409368728 JYIUPJHMFGZMER-RVDMUPIBSA-N 378.811 5.209 30 40 GKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2cccc(C(=O)OC)c2C)cc1OC 409377021 FEEHJDDGAOPVSO-GHONEHJGSA-N 389.879 5.372 30 40 GKEB COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1O 1301633 IVFILELFLSEDSJ-VWLOTQADSA-N 399.490 5.864 30 40 GKEB N#Cc1c(SCc2cccc3ccccc23)nc2c(c1-c1ccco1)CCC2 3418723 ZPNGVHONXVKECB-UHFFFAOYSA-N 382.488 6.147 30 40 GKEB C=CCC1(O)[C@@H](C)[C@@H](c2ccc(Cl)cc2)N[C@@H](c2ccc(Cl)cc2)[C@@H]1C 5101749 AUYAXWJFEBJXAN-KPZAZECOSA-N 390.354 5.958 30 40 GKEB Cc1ccc(C)c(/N=C2/NC(=O)/C(=C/c3ccc(Cl)cc3Cl)S2)c1 8410933 PCHPAZVSQRQCCI-PXNMLYILSA-N 377.296 5.502 30 40 GKEB COc1ccccc1/C=C/c1nc(C#N)c(N2CCC(Cc3ccccc3)CC2)o1 8495835 VBTKHOTVFGJANT-VAWYXSNFSA-N 399.494 5.184 30 40 GKEB CCCCCCCCOc1ccc(/C=C/C(=O)Oc2ccc(C(C)=O)cc2)cc1 59608678 XSPQXUGMENCLBV-WOJGMQOQSA-N 394.511 6.247 30 40 GKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(OC)cc3)c2C)cc1 100212167 VUHYUXJMGFFQPF-BUVRLJJBSA-N 376.456 5.030 30 40 GKEB CCCCCCCC/C=C\CCCCCCCC1=NCC[N+]1(CCO)CCO 104347334 KZKBTHQFURSSHW-KTKRTIGZSA-N 395.652 5.237 30 40 GKEB CC(C)N1c2ccc(/C=N\Nc3ccc(C(=O)O)cc3)cc2[C@H](C)CC1(C)C 260569631 RHOZIQGYULTGMN-DNPFKWNUSA-N 379.504 5.331 30 40 GKEB CCOC(=O)c1cccc(-c2ccc(/C=N/Nc3nc4ccccc4s3)o2)c1 408723197 PAWLAUFNXLPLRG-LPYMAVHISA-N 391.452 5.179 30 40 GKEB Cc1ccc(COc2ccc(Cl)cc2/C=N/c2cccc(Cl)c2C)cc1 409208131 BECZIIWRQKLXNY-DHRITJCHSA-N 384.306 6.940 30 40 GKEB CC[C@H](C)Oc1ccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1 409406762 YSBVLBUGSFZBIL-SFHVURJKSA-N 397.478 5.123 30 40 GKEB Cc1cccc(C)c1NC(=S)N/N=C/c1ccc(Oc2ccccc2)cc1 3224266 MFVNBURNDBQPMT-HZHRSRAPSA-N 375.497 5.416 30 40 GKEB CC1=C[C@@H]2C(C)(C)CC(=O)C[C@]2(C)C[C@H]1COc1ccc2c(c1)CC(=O)C=C2 5427229 FJQNHXDZOCYVOZ-CYSDGLOUSA-N 378.512 5.182 30 40 GKEB CSc1nc(Nc2ccc(Br)cc2)c(C#N)c(-c2ccccc2)n1 5509605 VSNKDZHXWVDBHX-UHFFFAOYSA-N 397.301 5.243 30 40 GKEB C(=N/c1nc2c(s1)-c1ccccc1CC2)\c1c2ccccc2cc2ccccc12 6243999 PJRHHYRQZDAMOQ-JVWAILMASA-N 390.511 6.966 30 40 GKEB CCCN1C(=O)/C(=C/c2cc(C)n(C)c2C)S/C1=N/c1ccc(OCC)cc1 13470982 PCTLXVJKLCJZFI-JHHKTYBCSA-N 397.544 5.055 30 40 GKEB CCCCCC(/C=N\N=C\C(=C\c1ccco1)CCCCC)=C/c1ccco1 35212374 PQWFCXHFSZVONA-LGOJFSKWSA-N 380.532 7.557 30 40 GKEB C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\C=C\c1ccccc1 36624059 CNATZRJRPIOVRF-BHNWEWFFSA-N 398.550 6.389 30 40 GKEB Cc1ccc(-c2nc(/N=C/c3ccccc3Cl)sc2-c2ccccc2)cc1 59463805 AZPSWRJMOMBHRD-MFKUBSTISA-N 388.923 7.190 30 40 GKEB C=C(C)COc1ccc2ccccc2c1-c1c(OCC(=C)C)ccc2ccccc12 95611702 CUVSWEUTWOPQAZ-UHFFFAOYSA-N 394.514 7.570 30 40 GKEB COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccco2)C3)cc1 1458973 JFOBHJSTTYLBTD-UPCLLVRISA-N 386.451 5.268 30 40 GKEB Cc1ccc(CSc2nncn2/N=C/c2c(Cl)cccc2Cl)cc1 2606482 DOQSCLCYARYHJW-ZVBGSRNCSA-N 377.300 5.068 30 40 GKEB Cc1ccc(/N=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cc1C 3170273 JXVKGOSPQDKUCV-LPYMAVHISA-N 391.383 5.663 30 40 GKEB Cc1ccc2nc(Cl)c(/C=C/C(=O)c3ccc(Br)cc3)cc2c1 4349936 XXLODKGZMZEDKR-WEVVVXLNSA-N 386.676 5.855 30 40 GKEB Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(C#N)cc4F)cc3)sc2c1 4526062 DKHGVYJUVGHAKS-UHFFFAOYSA-N 387.439 5.535 30 40 GKEB O=C1c2ccccc2/C(=N\c2ccc(Br)cc2)[C@H]1c1ccccc1 4750926 FVPJKYCSQKVLSG-VKQKAZQBSA-N 376.253 5.550 30 40 GKEB COc1ccc(C(=O)Oc2ccccc2/C=C2/Sc3ccccc3C2=O)cc1 5065844 LTIGNQYGYHLMAC-KGENOOAVSA-N 388.444 5.244 30 40 GKEB COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/N2[C@@H](C)CCC[C@@H]2C)cc1 5754237 HRMBZKUVEURQED-TZVXIOESSA-N 388.515 5.145 30 40 GKEB c1ccc(/N=C2\S[C@H](c3ccccc3)CN2C23CC4CC(CC(C4)C2)C3)cc1 6007059 KHYPIIHHYPGAMH-AVHJMNCRSA-N 388.580 6.433 30 40 GKEB COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3c2ccc2ccccc32)cc1 6782425 MASVZROQIZUYIM-HSZRJFAPSA-N 383.491 6.049 30 40 GKEB C=CCN(CC=C)C(=S)Nc1ccc2sc3nc4ccccc4nc3c2c1 6855726 QBLVUTRJKATLKU-UHFFFAOYSA-N 390.537 5.369 30 40 GKEB Cc1cccc(N2C(=O)C(O)=C(C(=O)/C=C/c3ccccc3)[C@H]2c2ccccc2)c1 8969650 YTAXSKSCEGEPNF-RFAWQRTRSA-N 395.458 5.178 30 40 GKEB Cc1cc(C)c(C(=O)/C=C\c2ccccc2)c(C)c1C(=O)/C=C\c1ccccc1 17380156 BQIHMHIITNOAKH-RYOQUFEFSA-N 380.487 6.404 30 40 GKEB Cc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1ccc(C(C)C)cc1 18222377 NFFVMRYVYGTVBG-NTKDMRAZSA-N 398.510 5.126 30 40 GKEB O=C(/C=C\c1ccccc1)OCCOc1ccc(/C=C/C(=O)c2ccccc2)cc1 68591992 XWOHHCSZHHLAAJ-XINBEAJESA-N 398.458 5.218 30 40 GKEB C/C(=N\OCc1cc(-c2ccccc2)on1)c1nc2ccccc2n1C(F)F 96405189 CAGVFQLJDPTPRQ-ZMOGYAJESA-N 382.370 5.027 30 40 GKEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N\c2ccc(Cl)c(C(=O)O)c2)o1 96480021 CHKOBUNNGAKQJO-YVNNLAQVSA-N 383.787 5.055 30 40 GKEB CCC(C)(C)[C@H]1CCC(=O)/C(=C/Nc2ccc(I)cc2)C1 408562725 AVOORJCKEYFRSI-FNDVETGQSA-N 397.300 5.392 30 40 GKEB C=CCOc1cccc(NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)c1 408573968 GGJMFIVMXXAZET-UHFFFAOYSA-N 389.520 6.104 30 40 GKEB CCc1ccccc1-n1c(C)cc(/C=N\c2ccc(Cl)c(C(=O)O)c2)c1C 408964757 DTRWMAREWUEIED-CFRMEGHHSA-N 380.875 5.759 30 40 GKEB COc1ccc(/N=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cc1 409209586 GPSUBCJUXFKUQJ-BKUYFWCQSA-N 393.355 5.055 30 40 GKEB N#C[C@]1(Cc2ccc(Cl)cc2)c2ccccc2C=CN1C(=O)c1ccccc1 629047 OOAILIORQKTLIT-XMMPIXPASA-N 384.866 5.428 30 40 GKEB aggregator C=CCn1c(-c2ccc(Cl)cc2Cl)cs/c1=N\c1ccc(C)cc1 2677040 XCOOARJLJVADBR-QOCHGBHMSA-N 375.324 6.250 30 40 GKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(/N=C/c3ccc(Cl)cc3)cc1)N2 3664781 VPIGVRSDCDFOAW-AOYSYPELSA-N 398.937 7.226 30 40 GKEB C=CCOc1c(Br)cc(/C=N/c2ccc(C)c(C)c2)cc1OCC 6959729 ZCRBNNZWIZRGRJ-LPYMAVHISA-N 388.305 5.780 30 40 GKEB C=CCn1c(SCc2nc(-c3ccccc3)oc2C)nnc1-c1ccccc1 12239418 AWDKVJKJUDEYLK-UHFFFAOYSA-N 388.496 5.387 30 40 GKEB CCCCCCCCCCC[C@H](O)CC(=O)[C@@H](CCCCCC)C(=O)OC 97978733 LCYXCWLJSOHFFX-LEWJYISDSA-N 384.601 5.987 30 40 GKEB in-vitro CCCCCCCOc1ccc(NC[C@@H](C)Oc2ccc(Cl)cc2)cc1 100033635 GNXUVMAQLSZRGD-GOSISDBHSA-N 375.940 6.569 30 40 GKEB CCn1c(N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)nc2ccccc21 408692568 PMKZXIXWNPPPIL-ZVHZXABRSA-N 391.906 5.563 30 40 GKEB Cc1cc(/C=N\c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 408858994 UXJSGHDHFIGCJS-JJFYIABZSA-N 397.818 5.105 30 40 GKEB Cc1ccc(/N=C2\S/C(=C/c3cc(Cl)ccc3O)C(=O)N2C(C)C)cc1 408913595 NBBIAKJJDAYWPK-AUCMGLCLSA-N 386.904 5.366 30 40 GKEB CC[C@H](C)Oc1c(Cl)cc(/C=N\c2ccc(Cl)cc2Cl)cc1OC 409384546 CXYYNWKCNUZRAB-NQWZYWRBSA-N 386.706 6.583 30 40 GKEB Cc1ccc2sc(-c3ccc(/N=C/c4cccc(Cl)c4Cl)cc3)nc2c1 2067324 UUDLCQSPMJUFEG-WYMPLXKRSA-N 397.330 7.329 30 40 GKEB Cc1ccc(S(=O)(=O)OC[C@H](C)C(c2ccccc2)c2ccccc2)cc1 8637498 LYUGCORFWQNNOB-IBGZPJMESA-N 380.509 5.169 30 40 GKEB CCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2ccc(O)cc2)cc1 98048305 APBKSEONLGWHNH-UHFFFAOYSA-N 382.504 5.724 30 40 GKEB biogenic CCCCCCCCCCCCNC(=S)N/N=C\c1ccc(Cl)cc1 100355373 AGNSAOLOMRJRMB-QJOMJCCJSA-N 382.017 6.059 30 40 GKEB CCCCCCCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 100494974 CMDKMXCYSLGVFU-UHFFFAOYSA-N 389.302 5.321 30 40 GKEB CCCCCCCCCCCCS(=O)(=O)Nc1cc(Cl)ccc1O 100922113 VWEYJSCDLXWCLB-UHFFFAOYSA-N 375.962 5.708 30 40 GKEB COc1cc(/N=C/c2c(O)ccc3ccccc23)ccc1NC(=O)c1ccco1 102417365 JBISONRHGNPYPI-ZVHZXABRSA-N 386.407 5.150 30 40 GKEB CCCCCCCNCc1cc(Cl)c(OCc2ccccc2)c(OCC)c1 102568192 WCOYGIWCWJYFQK-UHFFFAOYSA-N 389.967 6.378 30 40 GKEB C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1cccs1)C2=O 245241317 ADNXMRIHODUBNW-DLNBWLCZSA-N 384.585 5.714 30 40 GKEB biogenic O=C(O)c1ccc(-n2cccc2/C=N/c2ccc(Nc3ccccc3)cc2)cc1 409231999 MNJNAADAEJJZKC-KOEQRZSOSA-N 381.435 5.670 30 40 GKEB Cc1ccc2oc(-c3cccc(/N=C/C=C/c4ccc(Cl)cc4)c3C)nc2c1 2894825 WDQBWZINWFZRIU-UUQRUFKYSA-N 386.882 7.181 30 40 GKEB O=C1/C(=C\c2ccc(Cl)cc2Cl)[C@H](c2ccccc2)Oc2ccccc21 3138134 LXKBGZGYHRXSIO-JMOSNPTESA-N 381.258 6.393 30 40 GKEB CCOC(=O)c1c(-c2ccccc2Cl)csc1/N=C/c1ccc(C)s1 3246299 AQOMQRSBAPGKLN-UFFVCSGVSA-N 389.929 6.366 30 40 GKEB C/C(=N/N=c1\scc(-c2ccccc2)n1Cc1ccco1)c1cccs1 4194353 QYEJVYCEAAMCOB-FAEUNECHSA-N 379.510 5.244 30 40 GKEB C=CCn1c(SCC(=C)C)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 4904901 JROHAWHZAKTFKQ-UHFFFAOYSA-N 378.541 5.132 30 40 GKEB CCn1c(SCc2ccc(-c3ccccc3C#N)cc2)nnc1-c1ccncc1 14189808 SMOADTKPHXSJDX-UHFFFAOYSA-N 397.507 5.191 30 40 GKEB COc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccco1)C2 20274799 RQTHYXYXODOEIN-OWJWWREXSA-N 386.451 5.268 30 40 GKEB CC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cccc(OCCC(C)C)c1 20797257 JGTCWGFIHAVQGK-QHCPKHFHSA-N 389.499 5.339 30 40 GKEB Cc1nc(C(F)(F)F)ccc1C(=O)Nc1cccc(C#Cc2cccs2)c1 24758716 LLBNVWVJWJPMTN-UHFFFAOYSA-N 386.398 5.122 30 40 GKEB Cc1n[nH]c(C)c1Sc1ccccc1/N=C\c1cccc(Br)c1 100505569 FFFOTQAXWCQGSE-JAIQZWGSSA-N 386.318 5.691 30 40 GKEB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1C[C@@H]1[C@@H]3CCCCC3=CC(=O)[C@@H]12 118936237 CWLSXLGVSRANSC-IRQFUPSCSA-N 392.583 6.060 30 40 GKEB C#CCOC(=O)c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1 226324938 YGZXKEOROXGSIT-UHFFFAOYSA-N 385.246 5.516 30 40 GKEB C=CCOC(=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OCC)c1 226327372 HFKCOORKVSYVEI-UHFFFAOYSA-N 381.255 5.314 30 40 GKEB CCCOc1ccc2ccccc2c1/C=C1\SC(=Nc2ccccc2)NC1=O 408531411 PTQBHMCEBWLHJX-QNGOZBTKSA-N 388.492 5.520 30 40 GKEB Cc1cc(/C=N/OCc2ccccc2C#N)c(C)n1-c1cccc2ccccc12 408590170 GLTUYRGHGVHFGU-JVWAILMASA-N 379.463 5.670 30 40 GKEB N#Cc1ccccc1CO/N=C\c1ccc(-c2ccc(Br)cc2)o1 408594575 UCTLDTBORVQFTA-UUYOSTAYSA-N 381.229 5.131 30 40 GKEB O=C1/C(=C/c2ccccc2OCc2cccc(Cl)c2)Sc2ccccc21 408817360 XPSGCHOONKWJJZ-BKUYFWCQSA-N 378.880 6.249 30 40 GKEB CCCCCCCOc1ccccc1/C=C1\N=C(c2cccc(C)c2)OC1=O 408974958 GPGBEPRKXNZCME-FXBPSFAMSA-N 377.484 5.689 30 40 GKEB Cc1cc(O)c(/C=N/c2cccc(NC(=O)c3ccccc3)c2)c(C)c1Cl 903935 STUOFMFFOGXJPT-ZMOGYAJESA-N 378.859 5.665 30 40 GKEB COc1cccc(/C=N/c2ccc(Cl)c(-c3nc4ccc(C)cc4o3)c2)c1O 1435158 JRBQWHUEFUHQTN-WYMPLXKRSA-N 392.842 5.921 30 40 GKEB CN(CCC#N)c1ccc(-c2cc(C(=O)O)c3cc4ccccc4cc3n2)cc1 1735310 DHGIMFLZKRVHGR-UHFFFAOYSA-N 381.435 5.103 30 40 GKEB C[C@@H]1CCc2sc(NC(=O)C(c3ccccc3)c3ccccc3)c(C#N)c2C1 2768844 ZMYPCBBRDLGZIG-MRXNPFEDSA-N 386.520 5.515 30 40 GKEB Cc1sc(NC(=O)CCCC(=O)O)c(C#N)c1-c1ccc(Cl)cc1Cl 2770384 LTXYCEFOVCCJQL-UHFFFAOYSA-N 397.283 5.095 30 40 GKEB Cc1ccc(COc2ccc3c(c2)O/C(=C\c2c(F)cccc2Cl)C3=O)cc1 5180416 JYWCKUXARKRLIK-UUYOSTAYSA-N 394.829 5.983 30 40 GKEB CCOc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCc1ccc(F)cc1 6961314 JFJIAEHKJHQAQB-VULFUBBASA-N 397.877 6.516 30 40 GKEB Cc1cc(/C=N/Nc2nc3ccccc3n2C)c(C)n1-c1ccccc1Cl 7343437 DPMBFRKHKVMOPP-YDZHTSKRSA-N 377.879 5.080 30 40 GKEB C[C@@H]1CCc2c(sc(NC(=O)CCCSCc3ccccc3)c2C#N)C1 10616700 YHTWDXSSXIRTBP-OAHLLOKOSA-N 384.570 5.397 30 40 GKEB CC(C)c1ccc(/C=C2\C(=O)c3ccccc3O[C@H]2c2ccccc2)cc1[N+](=O)[O-] 33581365 JDDNHHNVKHGWTR-DPUDNOKTSA-N 399.446 6.118 30 40 GKEB C[C@]12CC[C@H](O)CC1=CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(O)C#Cc1ccccc1 253617607 XROIWEWUVSAKIJ-HAGPKJFTSA-N 390.567 5.093 30 40 GKEB COc1cc(/C=N/c2cccc(Cl)c2C)ccc1OCc1ccc(C(=O)O)o1 409386592 VKAXUGWLYMAHFU-FOKLQQMPSA-N 399.830 5.278 30 40 GKEB Cc1nc(SCC(=O)c2ccc3c(c2)Cc2ccccc2-3)c(C#N)c(C)c1C 688217 RRIULWLLIWLJEK-UHFFFAOYSA-N 384.504 5.425 30 40 GKEB O=C1CCCC2=C1[C@H](c1ccsc1)CC(=O)N2c1ccccc1C(F)(F)F 1080104 PCHTXMBZAUDTFN-ZDUSSCGKSA-N 391.414 5.295 30 40 GKEB CCCCCCCSc1nc(N)c2c3c(sc2n1)CO[C@H](C(C)C)C3 1817416 BRACJTICTADLJW-AWEZNQCLSA-N 379.595 5.433 30 40 GKEB Cc1cccc(/C=N/c2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)c1O 1878408 WHGGUFIHZWJRPF-BHGWPJFGSA-N 397.261 6.566 30 40 GKEB N#Cc1ccc(-c2ccc(F)cc2)nc1Sc1ccc(Cl)c(Cl)c1 3128332 LPWKPCOROHVUJZ-UHFFFAOYSA-N 375.255 6.217 30 40 GKEB Brc1ccccc1N/N=C(/C=C/c1ccccc1)c1ccccc1 4401974 ZHGFVRLNWNOACK-OHDNXCHDSA-N 377.285 5.979 30 40 GKEB O=C(/C=C/c1ccc(Br)cc1)c1ccc(Oc2ccccc2)cc1 4902161 COIZJVURERMPLY-OVCLIPMQSA-N 379.253 6.138 30 40 GKEB CC[C@H](C)Oc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 7078308 WFXRPKCQZWKUJI-OXHGKFDLSA-N 394.584 6.699 30 40 GKEB Cc1c(Cl)cccc1/N=C/c1ccc(OCc2ccccc2F)c(Cl)c1 8277916 IOIHXGFYGPCSFB-BRJLIKDPSA-N 388.269 6.771 30 40 GKEB Cc1ccccc1/N=C/c1cc(Br)ccc1OCc1ccccc1F 8570857 SAMNYFOQWMCDEW-ZMOGYAJESA-N 398.275 6.226 30 40 GKEB C=CC(C)(C)c1cc2c(O)c3c(c(C(C)(C)C=C)c2oc1=O)OC(C)(C)C=C3 14927453 LMEKIDFKWUPZGE-UHFFFAOYSA-N 380.484 5.610 30 40 GKEB biogenic,in-vitro CSc1cccc(Nc2nc(SC)nc(-c3ccc(C)cc3)c2C#N)c1 19820709 VZZNGTUUVQGOBZ-UHFFFAOYSA-N 378.526 5.511 30 40 GKEB CC(C)N(Cc1ccccc1)C(=S)N/C(=N\c1ccccc1)c1ccccc1 36293416 QMIHZZRTLJYHSA-UHFFFAOYSA-N 387.552 5.550 30 40 GKEB CCOC(=O)c1cc2c(nc1C)-c1ccccc1/C2=N/c1cccc2ccccc12 100054930 MUZWWNBEPIIFMW-FVDSYPCUSA-N 392.458 5.869 30 40 GKEB Fc1cccc(-c2nc3cc(/N=C/c4cc5c(cc4Cl)OCO5)ccc3o2)c1 100501689 NIAVBMPVIZSHCN-YSURURNPSA-N 394.789 5.767 30 40 GKEB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118913780 XIWMRKFKSRYSIJ-QAKPMDPSSA-N 382.632 7.373 30 40 GKEB in-vitro CC(C)(C)[S@@](=O)/N=C1\CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 206567354 QCZNDNJKGBTUIR-XFZRPWFASA-N 394.367 6.170 30 40 GKEB in-vitro CC(C)COc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1C#N 225681973 GVFUCPPKVVAJOA-UHFFFAOYSA-N 380.463 5.183 30 40 GKEB C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)C(=O)/C(=C/c3ccccc3)C[C@H]12 253497872 XVNNBSPKVRWTLT-ZNEQZTIYSA-N 378.556 5.653 30 40 GKEB biogenic CC(C)Oc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 408629311 WLMJOWOKSKDDOZ-INIZCTEOSA-N 396.556 5.810 30 40 GKEB CCc1ccc(-n2c(C)cc(/C=N/c3ccc(C(=O)O)c(Cl)c3)c2C)cc1 408757338 YQWARHDWEQFXAT-ZMOGYAJESA-N 380.875 5.759 30 40 GKEB C=CCN1C(=O)/C(=C/c2cc(C)n(-c3c(C)cccc3C)c2C)SC1=S 408820774 YMOGMEPAENNTAU-PDGQHHTCSA-N 382.554 5.098 30 40 GKEB CC[C@H](C)N1C(=O)/C(=C\c2cccc(OC)c2)S/C1=N\c1ccc(C)cc1 408912708 LOWSDLXQIRCCEI-HWEIEWAYSA-N 380.513 5.406 30 40 GKEB Cc1ccc(/N=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cc1Cl 408966414 LMPSUUKNJKQIAY-CVKSISIWSA-N 378.947 7.104 30 40 GKEB CCOc1ccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1 408977311 IBZJCCRZOUNBIC-PCLIKHOPSA-N 390.552 7.007 30 40 GKEB CCc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)cc1 409076644 BHPRWHXUSJFIDZ-HTEZIOAISA-N 398.959 6.162 30 40 GKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2cccc(Br)c2)cc1OC 409382282 MNTJYSRJKAEPMQ-KIHMUJGBSA-N 396.712 6.039 30 40 GKEB COc1ccc(C(=O)/C=C/Nc2ccc(/N=N/c3ccccc3)cc2)cc1OC 4819098 BRDZPEFRLDFJAT-HPGKUWCESA-N 387.439 5.928 30 40 GKEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(C)cc2)C[C@@H]1c1c(F)cccc1Cl 4920009 BDBNDHWIWLHYRZ-IERDGZPVSA-N 386.850 5.107 30 40 GKEB CCOC1=CC(=C2C=CC(=O)C=C2)C=C(Nc2ccc(C)cc2)c2c(C)oc(C)c21 6783940 DSZWNPHMCXMSNI-UHFFFAOYSA-N 399.490 6.041 30 40 GKEB CCc1ccc(/N=C/c2cc(Br)ccc2OCc2ccccc2)cc1 8084558 NIXJXLUEWKDAOS-BUVRLJJBSA-N 394.312 6.341 30 40 GKEB O=c1oc2ccccc2c(NC2CCCCC2)c1/N=C(\O)c1cccc(Cl)c1 21155975 JALBLAIMWUNWFC-UHFFFAOYSA-N 396.874 5.827 30 40 GKEB CN(C)[C@H](CNc1oc(-c2cccc3ccccc23)nc1C#N)c1cccs1 27793358 UDERINRHSXQZHP-LJQANCHMSA-N 388.496 5.143 30 40 GKEB CCCCCCCCCCCn1c(-c2ccc(OC)cc2)nc2ccccc21 50861324 ROIBTIHWLWIKRK-UHFFFAOYSA-N 378.560 7.243 30 40 GKEB CCc1cccc(CC)c1/N=C/c1ccccc1Nc1c(CC)cccc1CC 101548156 KEPBTFHPYYRUBH-TURZUDJPSA-N 384.567 7.430 30 40 GKEB CCCCCCCCOc1c(Br)cc(C=O)cc1Br 165215807 LOXRJIGMZUQMQD-UHFFFAOYSA-N 392.131 5.763 30 40 GKEB Cc1ccc(-c2ccc(/C=N/Nc3nc4ccccc4s3)o2)cc1[N+](=O)[O-] 408722698 DEYONOBOVLKMLK-RGVLZGJSSA-N 378.413 5.219 30 40 GKEB O=C(O)c1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1 408934094 CKMHAQDGYASKAT-UBYIUWKDSA-N 394.474 5.962 30 40 GKEB CCOc1cccc(/N=C\c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)c1 408937598 GZDOTGGHERBONB-CFRMEGHHSA-N 396.874 5.595 30 40 GKEB Cc1sc(-n2c(C)cc(/C=C3/SC(=O)N(C(C)C)C3=O)c2C)c(C#N)c1C 409017739 OZBLHHWLQXSOFX-CAOOACKPSA-N 399.541 5.089 30 40 GKEB CC(=O)Nc1ccc(/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1 409230989 ANJSVQPDAJVAFS-YSMPRRRNSA-N 385.442 5.538 30 40 GKEB O=C(c1ccc(Br)cc1Cl)C(F)(F)C(F)(F)C(F)(F)F 575362330 VHFGONKHECJODW-UHFFFAOYSA-N 387.476 5.118 30 40 GKEB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1sc2c(c1C#N)CCCC2 831802 SESQMGWQCSDLAE-SNVBAGLBSA-N 395.311 5.211 30 40 GKEB C=C(C)COc1ccc2c(=O)c(-c3ccc(OC)cc3)c(C(F)(F)F)oc2c1 2415700 TUTLVSXUPDVHTO-UHFFFAOYSA-N 390.357 5.442 30 40 GKEB biogenic CCCCCCCCCNc1ncc2c(n1)C[C@H](c1ccc(OC)cc1)CC2=O 3771445 ZBVAVLXMYPSOAF-IBGZPJMESA-N 395.547 5.560 30 40 GKEB C[C@@H]1CCCC[C@@H]1n1c(SCc2ccc(C#N)cc2)nnc1-c1cccnc1 8887044 IHQPLTRJXYYUOZ-UZLBHIALSA-N 389.528 5.255 30 40 GKEB CCOc1ccc(-c2cc(-c3ccc(Br)cc3)nc(N)c2C#N)cc1 33528506 NAEOTHIDAXUTQV-UHFFFAOYSA-N 394.272 5.031 30 40 GKEB Cc1ccc(-c2nc(N/N=C/c3ccc4ncccc4c3)nc3ccccc23)cc1 46085395 JOZSVWUGRYVGJW-JVWAILMASA-N 389.462 5.599 30 40 GKEB CCCCCCCCCCCCC/C=C/[C@H](O)[C@@H](CO)NC(=O)CCCCC 60292153 NPRJSFWNFTXXQC-GWGOZDFZSA-N 397.644 5.662 30 40 GKEB CCCCCCCCOC(=O)C[N+](C)(C)CCO[C@H]1C[C@@H]2CC[C@]1(C)C2(C)C 102899799 KTMOLWBNBDAXBS-HFMPRLQTSA-N 396.636 5.198 30 40 GKEB CCCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)c(C#N)c1 225763026 FECISAFQYJWTKH-UHFFFAOYSA-N 394.490 5.717 30 40 GKEB Brc1ccc(-n2cccc2/C=N/Nc2ccc3ccccc3n2)cc1 408844152 BHCVCLNQVSLKRX-HYARGMPZSA-N 391.272 5.234 30 40 GKEB COC(=O)c1cccc(/N=C/c2cccn2-c2ccc(Br)cc2)c1C 408856510 IZEFDDBDGWDIPL-LPYMAVHISA-N 397.272 5.085 30 40 GKEB CCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccccc2)C2=C1CC(C)(C)CC2=O 409047006 SVXPAQOTDDPTBB-UHFFFAOYSA-N 377.528 5.392 30 40 GKEB O=C(/C=C/Sc1cc(Cl)ccc1Cl)c1ccc(Br)cc1 3126210 LSNCFDURFPGWCM-BQYQJAHWSA-N 388.113 6.245 30 40 GKEB CC1(C)CC2=NC3=C(C(=O)c4ccccc43)[C@@H](c3ccc(Cl)cc3)C2=C(O)C1 4145095 IIBJLMRIIFWZGD-IBGZPJMESA-N 389.882 6.118 30 40 GKEB Cc1cc(/C=N/Nc2nc3ccccc3s2)c(C)n1-c1ccccc1Cl 5174444 DBBIEKJEMQQPIV-WSDLNYQXSA-N 380.904 5.803 30 40 GKEB Cc1ccc(Sc2ccc(/C=N/OC(=O)c3ccccc3Cl)cn2)cc1 5416081 LZZVNNFWHAWLDL-YDZHTSKRSA-N 382.872 5.386 30 40 GKEB CCCc1cc(SCc2ccc(Cl)cc2)n2c(nc3ccccc32)c1C#N 5454032 XFDUYHNIAYKFBF-UHFFFAOYSA-N 391.927 6.257 30 40 GKEB CCO/C=N/c1c(C(=O)OCC)sc2nc(CC(C)C)c3c(c12)CCCC3 8837593 ZPUMRHRPQOSADP-WSDLNYQXSA-N 388.533 5.247 30 40 GKEB Cc1nc2cc(F)ccc2cc1C(=O)Nc1sc2c(c1C#N)CCCCCC2 84028604 SZEKFSSBDQATKI-UHFFFAOYSA-N 393.487 5.527 30 40 GKEB CCCCCCCCCCCCCCCCN(CCO)C(=O)CCCC(=O)O 100924217 ZVFWGGXXGVSYQE-UHFFFAOYSA-N 399.616 5.544 30 40 GKEB CN1[C@H]2CC[C@H]1/C(=C\c1ccccc1Cl)C(=O)/C2=C\c1ccccc1Cl 101715888 BPSIHESMRAEMQU-SAIMNXLNSA-N 384.306 5.506 30 40 GKEB CCCCc1ccc(/N=c2\c3c(c(C#N)c4[nH]c5ccccc5n24)CCCC3)cc1 102884671 MURNKKRDTAUFFO-AZPGRJICSA-N 394.522 5.746 30 40 GKEB CC(C)COc1ccccc1/C=N\c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 408604639 VUSMDSAJQRJPJH-SJJYNHATSA-N 394.584 6.556 30 40 GKEB CCCCCCCCCCCCNC(=O)C(=O)Nc1ccc(F)c(Cl)c1 408706870 GMLDWMPWWWKZEP-UHFFFAOYSA-N 384.923 5.455 30 40 GKEB COc1cc2c(cc1/C=N\c1ccc(Oc3cccc(Cl)c3)cc1)OCO2 409070867 HCHZJNUPOKRKNV-FMCGGJTJSA-N 381.815 5.620 30 40 GKEB C=CCc1cc(CNc2ccccc2C)cc(OC)c1OCc1ccc(F)cc1 409117273 MTKQMQSRHOLEEA-UHFFFAOYSA-N 391.486 6.062 30 40 GKEB Cc1c(Cl)cccc1/N=C\c1cccc(OCc2ccc(C(=O)O)cc2)c1 409203430 XCFBVGPQBOOACO-CFRMEGHHSA-N 379.843 5.676 30 40 GKEB N#Cc1cccc(Oc2ccc(C(=O)OCc3ccccc3Cl)cc2)c1C#N 993108 MODGHJLTTABAHY-UHFFFAOYSA-N 388.810 5.233 30 40 GKEB Cn1/c(=N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)sc2ccccc21 2275112 SCTIVTUCVJMYLR-HZCJYTJWSA-N 395.572 5.475 30 40 GKEB C=C(C)CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCCCC3 2277174 CVGNJTVLHSQIIJ-UHFFFAOYSA-N 388.602 5.900 30 40 GKEB C=CCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)[C@@H](C)CCC3 2302104 UYQLDZZEWSIYJA-AWEZNQCLSA-N 382.554 5.474 30 40 GKEB Cc1ccc(C(=O)/C=C/c2cc(Br)c(O)c(Br)c2)cc1 5832518 QTVKFILVEYSDPM-QPJJXVBHSA-N 396.078 5.122 30 40 GKEB C#CCOc1c(Br)cc(/C=N/c2cc(C)ccc2C)cc1OCC 6959224 PZGIJWSHKRERNZ-LPYMAVHISA-N 386.289 5.227 30 40 GKEB CCCCCCCCCCCCCCCCn1c2ccccc2c2ccccc21 8450754 RTIMMZDJHATUCK-UHFFFAOYSA-N 391.643 9.276 30 40 GKEB C=CCSc1nc2c(c(-c3cccs3)c1C#N)CC/C2=C/c1cccs1 11666693 STSULGHUDUKPLT-OWBHPGMISA-N 392.574 6.508 30 40 GKEB COc1ccc([C@H](C#N)N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1OC 12630767 LXBMRKPVQBTWKB-PKTZIBPZSA-N 397.478 5.120 30 40 GKEB COc1ccc(/C=N/c2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)cc1 59463814 AFSRRYOTNZNCHZ-PCLIKHOPSA-N 384.504 6.545 30 40 GKEB COc1ccc(C(=O)/N=C2\c3ccccc3CN2c2ccc(F)c(Cl)c2)cc1 102923660 HHBHKNDVTAMPLN-NJNXFGOHSA-N 394.833 5.095 30 40 GKEB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1C/C(=C\c1ccc(Cl)cc1)C2=O 118916220 HKMPOVRTHIXEAQ-HGPOAJNESA-N 397.002 7.335 30 40 GKEB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H]4O[C@@]45CCCC[C@]5(C)[C@H]3CC[C@@]21C 118939876 OJFSRAVBTAGBIM-DZYTUMHFSA-N 386.664 7.629 30 40 GKEB Cc1ccc(-c2nnc(S)n2N=Cc2c3ccccc3cc3ccccc23)cc1 253617026 ZKOOTTMOWCZLTA-UHFFFAOYSA-N 394.503 5.731 30 40 GKEB O=C(/C=C/c1cn(Cc2cccc3ccccc23)c2ccccc12)c1ccccc1 408625501 YJTRPMCKLMAJQG-ISLYRVAYSA-N 387.482 6.739 30 40 GKEB Cc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(C4CCCC4)c3C)S2)c(C)c1 408777471 AAYKMJYCIZHLAT-BKUYFWCQSA-N 393.556 5.728 30 40 GKEB CCOc1cccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)c1 408916186 VTHOQYYJUHVPEH-QNQNADBQSA-N 380.513 5.406 30 40 GKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2cccc(C(=O)O)c2C)cc1OC 409374882 AWILFGCAAYFJOP-VTGBELTLSA-N 375.852 5.283 30 40 GKEB CC[C@H](C)Oc1c(Cl)cc(/C=N\c2ccc(Cl)c(C(=O)O)c2)cc1OC 409380498 FRRDKTJQZARSGX-NQWZYWRBSA-N 396.270 5.628 30 40 GKEB C/C=C(\C)[C@@H]1C(C)=C[C@]2(C)C[C@H](C)CC[C@@H]2[C@H]1C(=O)C1=C/C(=C/C(C)C)NC1=O 1086455201 TXVWNUBEANXHMB-MYASDRETSA-N 395.587 5.753 30 40 GKEB CC[C@H](C)Oc1cccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)c1 1531384170 VXTCWWKWOVHVKL-WYZSWBMLSA-N 397.478 5.123 30 40 GKEB CSc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3cc4c(cc32)OCO4)cc1 816098 UIPZUAMMNLVYON-NRFANRHFSA-N 393.508 5.338 30 40 GKEB Cc1ccccc1/N=C1\S[C@H](C)CN1C(=O)Nc1ccc(Cl)c(Cl)c1 855922 APVRCLTWNMVBFB-DIPZADQQSA-N 394.327 5.959 30 40 GKEB O=C1C[C@@H](c2ccc(Cl)cc2)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)O1 1390830 KIZZGYPNLVSPQY-YOEHRIQHSA-N 387.262 5.425 30 40 GKEB NC(=S)Nc1ccc(/N=C/c2cc(Cc3ccccc3Cl)ccc2O)cc1 6276750 IFQKHKXGICRRRK-ZMOGYAJESA-N 395.915 5.043 30 40 GKEB CC(C)OC(=O)c1ccc(Cl)cc1-c1ccc(/C=N/c2ccc(O)cc2)o1 6307073 AYGIFKRJURMHEV-FSJBWODESA-N 383.831 5.621 30 40 GKEB CC(C)(Oc1ccc(Cl)cc1)C(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 6515322 YXTYRIDORJVFJF-UHFFFAOYSA-N 391.854 5.642 30 40 GKEB CC1(C)[C@H](C(=O)Nc2ccccc2/N=C/c2ccc(F)cc2)CC[C@]1(C)C(=O)O 6782518 KOAXGMMXHDZHEQ-HQUHOLMRSA-N 396.462 5.042 30 40 GKEB COc1ccccc1C(=O)/N=C1\Nc2ccccc2N=C(C)[C@@H]1c1ccccc1 9305434 SGYNPVXSORBZDE-JOCHJYFZSA-N 383.451 5.236 30 40 GKEB CCOC(=O)c1ccc(-c2ccc(/C=C/C(=O)c3ccc(F)c(F)c3)o2)cc1 15349038 WAHXUZAFZYFOJO-DHZHZOJOSA-N 382.362 5.298 30 40 GKEB c1ccc(/N=C(Nc2ccccc2)/C(=N\c2ccccc2)Nc2ccccc2)cc1 18067317 SZWHQYCEODJJIE-UHFFFAOYSA-N 390.490 6.671 30 40 GKEB COc1ccc(-c2n[nH]c(SCc3ccc(-c4ccccc4C#N)cc3)n2)cc1 22415978 YDHOMPGLXRMPGZ-UHFFFAOYSA-N 398.491 5.311 30 40 GKEB CC(=O)Nc1ccc(/N=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)cc1 223568743 BIGBHKINVCJJGZ-STPJHCLOSA-N 377.532 5.896 30 40 GKEB Cc1cc(/C=C2\Sc3ccccc3C2=O)cc(C)c1OCc1ccc(F)cc1 408858548 TUCGLTXAZLIDGS-XKZIYDEJSA-N 390.479 6.351 30 40 GKEB CCCN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2)SC1=Nc1ccccc1 408960208 JOVPELBZANYAEY-LJUQQBLGSA-N 391.540 5.301 30 40 GKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc4c(c3)OCO4)c2C#N)C1 995597 YQMRFZLBBYLRLY-CQSZACIVSA-N 396.512 5.142 30 40 GKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@H]2c1cccc([N+](=O)[O-])c1 1441351 IONJAPBGVQCVFD-OAQYLSRUSA-N 399.450 5.344 30 40 GKEB CCOC(=O)c1c(-c2ccccc2)csc1/N=C/c1cc(OC)ccc1O 1926056 VFSPAHYPGVXKOA-WSDLNYQXSA-N 381.453 5.057 30 40 GKEB C=C(C)Cn1c(SCCCC)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 2095990 FEEFNVOSQHNXDQ-UHFFFAOYSA-N 394.584 5.747 30 40 GKEB biogenic CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(CC)cc1 3094423 HELHPUJNDFALCL-JOCHJYFZSA-N 395.543 5.196 30 40 GKEB COc1ccc(Cl)c(/C=N/c2ccc3oc(-c4ccc(F)cc4)nc3c2)c1O 4181438 SUCZAIGOKWWMIA-BHGWPJFGSA-N 396.805 5.752 30 40 GKEB COc1cc(/C=C2/S/C(=N\c3cccc(Cl)c3C)N(C)C2=O)ccc1C 4550838 XZTLVGOSAQTIIE-AUCMGLCLSA-N 386.904 5.199 30 40 GKEB C=CCOc1ccc(/C=C2/SC(Nc3cccc4ccccc34)=NC2=O)cc1 6856053 TZIHKHIDIFONHW-RCCKNPSSSA-N 386.476 5.487 30 40 GKEB CSc1ccc(/C=N\n2c(-c3ccc(C(C)(C)C)cc3)n[nH]c2=S)cc1 12381754 DLDRECSRDVAEKT-BKUYFWCQSA-N 382.558 5.509 30 40 GKEB Cc1ccc(/C(Cl)=C/C=N/N=C/C=C(\Cl)c2ccc(C)c(C)c2)cc1C 16311844 UHKYOYIQAYEHKJ-CZIVUVGZSA-N 385.338 6.836 30 40 GKEB O=C(/C=C\c1c(Cl)cccc1Cl)c1ccc2ccc3ccccc3c2c1 33378794 LSEMFSDVMQCSKD-SEYXRHQNSA-N 377.270 7.196 30 40 GKEB CCCCCCCOC(=O)c1c(N)n(CCCC)c2nc3ccccc3nc12 97953919 VMZYKFJUVRUEGW-UHFFFAOYSA-N 382.508 5.094 30 40 GKEB O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C\c1c[nH]c2ccccc12 97959864 FTRBKXVTXVYZAO-NVNXTCNLSA-N 388.279 5.366 30 40 GKEB N=C1S/C(=C\c2ccc3[nH]c4ccccc4c3c2)C(=O)[C@H]1c1nccs1 138113595 AMJJXOIESDLVDR-QADQVNOWSA-N 375.478 5.195 30 40 GKEB Cc1cc(/C=N/Cc2ccc(C(=O)O)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1 198112561 CDVBPEYPKDTSJX-WGOQTCKBSA-N 388.511 5.709 30 40 GKEB Cc1ccc(/C=C2/C[C@@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1 253525029 YMSNYXZYNBOINX-FAVOOHCGSA-N 390.567 5.881 30 40 GKEB CCc1ccccc1/N=C/c1cc(C)n(-c2ccc(C(=O)O)c(Cl)c2)c1C 408856479 QERYFFPXHLYZJU-ZMOGYAJESA-N 380.875 5.759 30 40 GKEB C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccccc2)S/C1=N\c1ccccc1 408862073 IARFEJBQUWEFDR-FRYZXORHSA-N 376.525 5.869 30 40 GKEB Cc1cccc(NC(=O)COc2ccc(/C=N/c3cc(Cl)ccc3C)cc2)c1 409203228 WRNVEBIYQRPCBK-AFUMVMLFSA-N 392.886 5.725 30 40 GKEB C[C@H](/N=C1\SCCN1C(=O)c1ccccc1C(F)(F)F)c1ccccc1 2643221 MXSRUJVIXSDGHK-LUHTUZHSSA-N 378.419 5.012 30 40 GKEB C/C(=N\Nc1nc(-c2ccc(Br)cc2)cs1)c1cccc(O)c1 4475449 SHTKZRQTWNXAEB-RGVLZGJSSA-N 388.290 5.114 30 40 GKEB Cc1ccc([C@H]2Sc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 4747086 JKPNFIOHOVIGIE-FQRUVTKNSA-N 397.543 6.655 30 40 GKEB COc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(Br)c1O 5787992 OBFVIIRXVKCJEY-MDZDMXLPSA-N 383.241 5.213 30 40 GKEB Cc1ccc(-c2nc(C#N)c(N/N=C/c3cccc(Oc4ccccc4)c3)o2)cc1 6032809 AFQBFSPUXVPIPG-WGOQTCKBSA-N 394.434 5.760 30 40 GKEB O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2cccs2)CCc2ccccc21 6339691 HUJSXGBZLCTSBE-OBGWFSINSA-N 382.488 5.813 30 40 GKEB O/C(=N\c1nc2ccccc2n1CCOc1ccccc1)c1ccc(Cl)cc1 13765231 XKCFTEYTAQJUBW-UHFFFAOYSA-N 391.858 5.405 30 40 GKEB Brc1ccc(/N=C/c2cc(Br)c(N3CCCC3)o2)cc1 59302139 LFVOACFGVFTVRQ-VCHYOVAHSA-N 398.098 5.155 30 40 GKEB C=CCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1C(F)(F)F 225955049 BWVRWZMUXHLJTH-UHFFFAOYSA-N 389.417 5.721 30 40 GKEB Cc1cc2c(cc1C)N[C@H](c1ccc3c(c1)OCO3)C1=C(CC(C)(C)CC1=O)N2 1311595 YPDJDGBRBJUYMS-HSZRJFAPSA-N 390.483 5.254 30 40 GKEB Cc1ccccc1Sc1ccc(NC(=O)c2cccc(Cl)c2)cc1C#N 3104524 XAKHNQPXGXHRND-UHFFFAOYSA-N 378.884 5.924 30 40 GKEB Cc1ccc(-c2nc3cc(/N=C/c4ccc(Cl)c(Cl)c4)ccc3o2)cc1C 3114040 UJQBQCJMBXGJCU-BRJLIKDPSA-N 395.289 7.169 30 40 GKEB N#CCCN(C(=O)c1cc(-c2cccs2)nc2ccccc12)c1ccccc1 3274053 PBJIFZIRPASOEM-UHFFFAOYSA-N 383.476 5.524 30 40 GKEB COc1c(Br)cc(/C=N/c2cc(C)ccc2C)cc1Br 5541921 WIVJVWGYVCESPA-DJKKODMXSA-N 397.110 5.588 30 40 GKEB O=[N+]([O-])c1ccc(C(/C=C/c2ccc(Cl)cc2)=N/Nc2ccccc2)cc1 5683719 GCVJWPHEBRIOLJ-OPOGAHHXSA-N 377.831 5.778 30 40 GKEB N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SC/C=C/c1ccccc1 9344744 VAZXVDLCNUEPEX-JXMROGBWSA-N 396.437 6.445 30 40 GKEB C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]1CC[C@H]2[C@@H](C)CCCC(C)C 13298417 QYSXJUFSXHHAJI-GPJHETKASA-N 384.648 7.619 30 40 GKEB biogenic,in-vitro O=[N+]([O-])c1ccc(/C=N/Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1 13302153 WKGCFYFCVZCGJF-LFVJCYFKSA-N 395.422 5.165 30 40 GKEB CCCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)c(C#N)c1 225754674 LNAWMMSYFVUHIW-UHFFFAOYSA-N 392.499 5.196 30 40 GKEB CCCCCCCCOc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1 408588453 WHHSIFNKOXIPOX-UHFFFAOYSA-N 394.342 6.985 30 40 GKEB COc1cc(/C=N\c2ccccc2C)ccc1OCc1cccc(C(=O)O)c1 408857885 PIVVFMSDQPEWTP-OYKKKHCWSA-N 375.424 5.031 30 40 GKEB Cc1ccc(-n2c(C)cc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c2C)cc1 409040358 TXVCURNPEMVRSH-YCPBAFNGSA-N 395.322 5.116 30 40 GKEB O=[N+]([O-])c1ccc(Sc2ccc(Cl)cc2)c(/C=N\c2ccc(O)cc2)c1 409112551 DWTLKHRVAYWEEC-MTJSOVHGSA-N 384.844 5.856 30 40 GKEB CCCCCCCOc1ccc(-c2noc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 2054923 QVVFEBITWVYSCA-UHFFFAOYSA-N 381.432 5.661 30 40 GKEB Cc1ccc(Sc2oc(/C=N/Nc3ccccc3)cc2Br)cc1 4525935 XXMSPFXJYCZFKC-UDWIEESQSA-N 387.302 5.948 30 40 GKEB O=[N+]([O-])c1cccc(/C=N/c2ccc3oc(-c4ccc(Cl)cc4)nc3c2)c1O 5511407 PXSSPUFWBFGLAR-SSDVNMTOSA-N 393.786 5.513 30 40 GKEB O=C(Nc1cccc2ccccc12)O/N=C(/C(=O)c1ccccc1)c1ccccc1 5772310 WKBPCBZTNXEZOW-SLEBQGDGSA-N 394.430 5.676 30 40 GKEB C=CCSc1nnc2c3c(ncn12)[C@H]1C2=C(CCC2)C(CCCC)=N[C@H]1S3 6309807 RTFJTRXIXUBGLF-BEFAXECRSA-N 397.573 5.043 30 40 GKEB O=C1CCCC2=C1[C@@H](c1ccco1)N(Cc1ccc(F)cc1)c1ccccc1N2 15826359 GPMHROIJQCAEIX-XMMPIXPASA-N 388.442 5.599 30 40 GKEB N#C[C@H]1S[C@H](C#N)[C@@H](c2ccc(Cl)cc2)O[C@H]1c1ccc(Cl)cc1 17131238 IHIYKSDCXKJPOG-TVFCKZIOSA-N 375.280 5.324 30 40 GKEB Cc1c(Cc2ccccc2)sc(/N=C/c2ccc3ccccc3c2)c1C(N)=O 17887539 GEAGDHRIXNWKKF-CVKSISIWSA-N 384.504 5.650 30 40 GKEB CCOc1ccc(/C=N/c2ccc(/C=C3\C(=O)[C@@H](C(C)C)CC[C@@H]3C)cc2)cc1 32689312 AOVYIILFFICBDN-XVUBFKCKSA-N 389.539 6.491 30 40 GKEB Clc1cccc(-c2ccc(/C=N/Nc3nc4ccccc4s3)o2)c1Cl 408727492 ZXGBZMSHGCJDPR-UFFVCSGVSA-N 388.279 6.309 30 40 GKEB COc1ccc(Cl)cc1/N=C/c1cc(Br)c(Br)o1 408953952 QYHLNTWDHRLOMJ-OMCISZLKSA-N 393.462 5.217 30 40 GKEB O=C(O)c1cc(/N=C\c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)ccc1O 409077943 GMDRNCILYBAHDZ-MXAYSNPKSA-N 391.467 5.014 30 40 GKEB O=C(Nc1cccc(C(F)(F)F)c1)N1CCCCC/C1=N\c1ccccc1 1409653 CBONBVWORPPJHC-HKOYGPOVSA-N 375.394 5.844 30 40 GKEB C=CCn1c(SCCC(C)C)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 2272676 KOIPKFQXIQRZEO-UHFFFAOYSA-N 394.584 5.602 30 40 GKEB N#Cc1cc(-c2cccc(C(F)(F)F)c2)cn(Cc2ccc(Cl)cc2)c1=O 3133655 KQJXMJMYETXFRX-UHFFFAOYSA-N 388.776 5.107 30 40 GKEB Oc1ccc(Br)cc1/C=N/c1ccc(OC(F)(F)C(F)F)cc1 3148435 XDYOQPUDZRDSKY-ODCIPOBUSA-N 392.146 5.142 30 40 GKEB N#Cc1ccc(N2Cc3ccccc3/C2=N\C(=O)Nc2ccc(Cl)cc2)cc1 3253029 RMWGLYFEHPGDNC-YYADALCUSA-N 386.842 5.211 30 40 GKEB C/C(=N/OCc1ccc(F)cc1Cl)c1cccc(N2Cc3ccccc3C2)c1 4051093 BRRWVTSIBQPNTM-QQXSKIMKSA-N 394.877 5.940 30 40 GKEB COc1ccccc1/C=N/Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 4409922 VLOAQMNSXLMNEE-BUVRLJJBSA-N 385.492 5.932 30 40 GKEB C/C(=N/Nc1nc(-c2ccccc2)cc(-c2ccc(F)cc2)n1)c1ccc(O)cc1 5002824 NPQUCFHFRGLVNT-NTFVMDSBSA-N 398.441 5.491 30 40 GKEB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/c1ccc(Cc2ccncc2)cc1 5336416 AKKAJKWQDRTNEP-WGOQTCKBSA-N 386.886 5.571 30 40 GKEB CCCCOc1ccc(/C=C2\C(=O)ON=C2c2ccc(-c3ccccc3)cc2)cc1 5707764 CZUZXZFNKKTRSE-MOHJPFBDSA-N 397.474 5.877 30 40 GKEB CCc1ccc(/N=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1 8084546 UPHRXFMVKIGEBX-AFUMVMLFSA-N 384.306 6.885 30 40 GKEB Cc1ccccc1/C=C1\Oc2c(ccc(O)c2CN(CC(C)C)CC(C)C)C1=O 9047655 FXRCVQVWQRHSCR-FMCGGJTJSA-N 393.527 5.431 30 40 GKEB CCN(Cc1ccccc1)c1nc(SC)nc(-c2ccc(Cl)cc2)c1C#N 19820592 WKFVBSAAZLNREQ-UHFFFAOYSA-N 394.931 5.417 30 40 GKEB C[C@@H](C#N)OC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1)C[C@@H](C)C2 97653140 JEXWBLFHMKTLOH-FHDLINQPSA-N 382.463 5.427 30 40 GKEB CSC1=N/C(=N\c2c(C)cccc2C)C2(CCCC2)N1c1cccc(Cl)c1 100686041 BISSQTXUDPZJQZ-GFMRDNFCSA-N 397.975 6.539 30 40 GKEB C[C@H]1CC[C@H]([C@@H]2C[C@@H]3CC[C@@H]2C3)/C(=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 101653238 GAQNEEVUJTXDHR-PWZCZJRCSA-N 386.452 5.143 30 40 GKEB C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@@]43C)[C@H]1C/C(=C\c1ccccc1F)C2=O 245229144 OIEOFEFLLYWLLM-REMOHXRSSA-N 380.547 6.821 30 40 GKEB O=C(/C=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1ccccc1 408617665 BBWQVDLWYFKWAR-FOCLMDBBSA-N 398.889 6.968 30 40 GKEB Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2cccn2-c2ccccc2)S1 408818198 NFTDUUOSIBRMAH-UYRXBGFRSA-N 393.899 5.331 30 40 GKEB Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(N4CCCCC4)cc3C)S2)cc1 408963188 XRQHBUSTENPGPJ-RCCKNPSSSA-N 391.540 5.185 30 40 GKEB CC[C@H](C)Oc1c(Cl)cc(/C=N/c2cc(Cl)ccc2OC)cc1OC 409379155 UZAWHSSOOSGJES-JHAVZTMOSA-N 382.287 5.939 30 40 GKEB C(=N/N=C1c2ccccc2-c2ccccc21)\c1ccc(OCc2ccccc2)cc1 1710198 NDICXTBNSYXAOF-MTDXEUNCSA-N 388.470 6.118 30 40 GKEB C=C(C)Cn1c(SCCCCCC)nc2sc3c(c2c1=O)CCCC3 2271048 TYZRRRUKURCLCQ-UHFFFAOYSA-N 376.591 5.585 30 40 GKEB Brc1ccc(-c2nc3cc(/N=C/c4ccccc4)ccc3o2)cc1 3131168 WLRBBDPETPPXPQ-LPYMAVHISA-N 377.241 6.008 30 40 GKEB N#Cc1c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)sc2c1CCCCC2 4079245 PWJPHJKOJQJVJD-UHFFFAOYSA-N 397.481 5.264 30 40 GKEB CCN(CC)c1ccc(/N=C(/C(=O)Nc2ccccc2)C(=O)c2ccccc2)cc1 4116021 CAEYGFATCOPAHM-WNAAXNPUSA-N 399.494 5.127 30 40 GKEB O=C(Nc1ccc(/N=N/c2ccccc2)cc1)C(F)(F)C(F)(F)C(F)(F)F 4646777 FFHPPWDMYZFTDG-OCEACIFDSA-N 393.262 5.873 30 40 GKEB COc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1 8116542 TZSPXVBQHWSXQU-ZVHZXABRSA-N 394.858 5.117 30 40 GKEB Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C\c2ccc(OC(C)C)cc2)S1 8277548 AMFLKLPLIXXGBG-WOJGMQOQSA-N 386.904 5.327 30 40 GKEB C=CCN1C(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)SC1=S 13547586 GDMOSXVBDZZZSJ-VBKFSLOCSA-N 389.586 5.374 30 40 GKEB CN(C)[C@H](CNC1CCC(C#N)(c2ccccc2)CC1)c1c(F)cccc1Cl 22912765 UWAFIJSXKYTOEJ-JRSYVHTFSA-N 399.941 5.076 30 40 GKEB Cc1ccc(SCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 32117135 NDUDLXXLMAKSRE-OAHLLOKOSA-N 398.597 5.810 30 40 GKEB CCCCCCCCCCOc1ccc(NC(=O)Nc2ccc(C)cc2C)cc1 100283791 CBXMGZBDNMPDSM-UHFFFAOYSA-N 396.575 7.467 30 40 GKEB CCCCCCCCCCCCNC(=S)N/N=C/c1ccccc1OCC 104373360 MRNRWCUZSUEKLV-LYBHJNIJSA-N 391.625 5.804 30 40 GKEB Cc1ccc(/C=C2/C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)o1 253498562 MWZAYFFYSWKEHF-HCTURDGBSA-N 380.528 5.474 30 40 GKEB Cc1ccc(C(=O)/C=C/c2ccc(-c3ccc(C)c(Br)c3)o2)cc1 408691752 OUCKGAPGQQJICU-PKNBQFBNSA-N 381.269 6.222 30 40 GKEB C=CCOc1c(Cl)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1Cl 408902945 SNXNXQWFOMKBIR-MHWRWJLKSA-N 387.266 5.364 30 40 GKEB COc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@H]32)cc1 408950266 MFAUKXANLQPCOH-ZPSIWAIZSA-N 394.518 6.581 30 40 GKEB COc1cc(/C=N/c2cccc(C)c2C)ccc1OCc1ccc(C(=O)O)cc1 409199198 BSUXONSLJVPAIJ-AFUMVMLFSA-N 389.451 5.340 30 40 GKEB COc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCc1cccc2ccccc12 409214162 RLLJFDZADCSAOP-OGLMXYFKSA-N 395.502 6.795 30 40 GKEB CCOC(=O)c1cccc(/N=C\c2ccc(Sc3ccc(C)cc3)cc2)c1 409239947 IQQJFJIGZYFABV-JLPGSUDCSA-N 375.493 6.074 30 40 GKEB N#C/C(=N\Nc1ccc(Cl)cc1)c1nc(-c2ccc3ccccc3c2)cs1 4135153 JQPDAHMANGTIME-LGUFXXKBSA-N 388.883 5.956 30 40 GKEB Oc1ccc(/N=C\c2ccc(-c3ccccc3)o2)cc1-c1nc2ccccc2o1 5604540 VHUWLUDBMYFZGD-MYYYXRDXSA-N 380.403 6.211 30 40 GKEB O=C1/C(=C/c2cccc([N+](=O)[O-])c2)CCCC/C1=C\c1cccc([N+](=O)[O-])c1 5832393 ABJQVFZJAGONOA-JYFOCSDGSA-N 378.384 5.113 30 40 GKEB N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1ccccc1F)c1nc(-c2c(F)cccc2F)cs1 68349365 CBNMIMUINOTILX-MGPQQGTHSA-N 398.409 5.207 30 40 GKEB O=C(c1cc(Cl)cc(Cl)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 101472187 DVOUTZCTEALMSE-UHFFFAOYSA-N 393.032 5.644 30 40 GKEB N#Cc1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)o1 226302756 AGTKGVRLIFMCNK-UHFFFAOYSA-N 382.301 6.049 30 40 GKEB C=CCc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(OCC)c1OC 408824029 PCIGVGBLKNDISL-RGEXLXHISA-N 395.480 5.063 30 40 GKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(F)cc3)C(=O)N2C2CCCCC2)cc1 408915922 RVUMZNQURRFDNR-DBSKITMISA-N 394.515 6.071 30 40 GKEB CCn1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c2ccccc21 409089464 JEZHMUFXOXQNNL-HSOLMKNUSA-N 389.568 6.496 30 40 GKEB Cc1ccc(/N=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1 409110334 UQIQNBMQOSETSR-XKZIYDEJSA-N 382.872 6.458 30 40 GKEB Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/c3ccc(C)c(Cl)c3)cc2)cc1 409211164 MPXDPXJXBCGTFY-OEAKJJBVSA-N 399.899 5.475 30 40 GKEB Cc1ccc(C)c(/N=C\c2cccc(OS(=O)(=O)c3ccc(Cl)cc3)c2)c1 409212700 PPIMDEFGMXDXPU-UCQKPKSFSA-N 399.899 5.475 30 40 GKEB CCCCCCCC[C@H](CCCCCC)Cn1nc2cc(F)c(F)cc2n1 1776010821 BOHQTSMNPWYSGK-SFHVURJKSA-N 379.539 7.047 30 40 GKEB CCCCCCCCCC[C@H](CCCCCCCC)Cc1ccc(C=O)s1 1776011014 QFPJYJIXDLMHSI-QHCPKHFHSA-N 392.693 9.001 30 40 GKEB Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccs2)cc1 729495 WCLSGIZZZLWDOK-OSPHWJPCSA-N 386.520 6.036 30 40 GKEB N#Cc1nc(Nc2ccccc2Cl)c(Nc2ccccc2Cl)nc1C#N 1317680 STRRENDGFGLTAH-UHFFFAOYSA-N 381.226 5.014 30 40 GKEB COc1ccc(/C=N/c2ccc(-c3nc4ccc(C)cc4s3)cc2)c(OC)c1 1510024 ALJRTBFGHHFTES-ZVHZXABRSA-N 388.492 6.040 30 40 GKEB O=C1[C@@H](Cc2ccccc2Cl)S/C(=N\c2ccccc2)N1c1ccccc1 2671079 PHGIKHHCUBXEOS-ZGKFLROHSA-N 392.911 5.719 30 40 GKEB CCc1ccc2oc(-c3cc(/N=C\c4ccc(Cl)cc4)ccc3O)nc2c1 3092159 QFTPAFMPMVOUFJ-CFRMEGHHSA-N 376.843 6.167 30 40 GKEB O=C(/C=C(/C(=O)c1ccccc1)c1ccccc1)c1ccc(-c2ccccc2)cc1 4371429 TVHIRCREDUOOTK-LHLOQNFPSA-N 388.466 6.503 30 40 GKEB O/N=C(\CCCCCC/C(=N\O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 4836765 YPCAVKWZZNZNJE-BLVCXSLXSA-N 393.314 6.391 30 40 GKEB CCN(CC)CCOc1ccc(C(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 16968909 USGNUULOYAWAKK-XYOKQWHBSA-N 392.326 5.610 30 40 GKEB Cc1ccc(C)c(OCc2ccc(-c3nc(C#N)c(NCc4ccccc4)o3)o2)c1 33027010 XXQUJYDREBXYQS-UHFFFAOYSA-N 399.450 5.614 30 40 GKEB N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1Cl 58989295 IBEOQSPZKXTOKA-GOSISDBHSA-N 391.814 5.156 30 40 GKEB COc1ccc(-c2ccc(/C=N/c3ccc(N4CCOCC4)cc3)o2)cc1Cl 100292853 HNDVQAKKNBZPGY-BUVRLJJBSA-N 396.874 5.196 30 40 GKEB CCCCCCCCOc1ccc(/C=N/Nc2nncc3ccccc23)cc1 103012289 JCZAWLUQWVHOOL-JJIBRWJFSA-N 376.504 5.815 30 40 GKEB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N\Nc3ccc(C(=O)O)cc3)cc21 208249514 CDPOQTXZGMZOAY-OTTIKCOKSA-N 385.895 5.206 30 40 GKEB C#CCOC(=O)/C=C/c1ccc(OCc2cccc3ccccc23)c(Cl)c1 226334872 SZYIUHQUGDUEDX-ACCUITESSA-N 376.839 5.262 30 40 GKEB CCn1ccc(/C=C2\C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)n1 253369829 ILNJYEIJHGACFY-FBZHZDFZSA-N 380.576 5.898 30 40 GKEB Oc1ccc(/C=N\c2cccc(Cl)c2Cl)cc1I 408903982 BZMVIFHGIPTLOP-IDUWFGFVSA-N 392.023 5.054 30 40 GKEB C[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccncc2)S/C1=N\c1ccccc1 408908279 RCUZEAWTBPCDQQ-FJPRGUKSSA-N 385.492 5.447 30 40 GKEB C=C[C@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccccc3CC)c2C)C1=O 408964194 BURQKDRRSMCLQT-DABDWFRDSA-N 380.513 5.267 30 40 GKEB C=CCOc1c(Br)cc(CNc2cccc(C)c2C)cc1OCC 409122553 ZLNIQKHZBSXEAQ-UHFFFAOYSA-N 390.321 5.642 30 40 GKEB CSc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)cc1 6820420 KGFOCYOQBRGEIA-WMLDXEAASA-N 397.927 5.066 30 40 GKEB CCCCCCCCCCCCCCCCS(=O)(=O)c1n[nH]c(CCC)n1 8443718 BNPRQPFWXMWPBR-UHFFFAOYSA-N 399.645 6.012 30 40 GKEB Cc1ccc2c(c1)N[C@H](c1ccc(N(C)C)cc1)C1=C(CC(C)(C)CC1=O)N2 9554153 UPSGOGQPPFIFLB-HSZRJFAPSA-N 375.516 5.283 30 40 GKEB C#CCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)C1=O 15012793 FKLCSLHXBQLWSA-ZHZULCJRSA-N 392.524 5.061 30 40 GKEB COc1ccc(-c2csc(N/N=C3\C[C@H]4CC[C@@]3(C)C4(C)C)n2)cc1OC 100929802 ZRHNAWSYXPVSQK-GLQBLIMZSA-N 385.533 5.441 30 40 GKEB COc1ccc(Cl)cc1-c1ccc(/C=N/c2sc3c(c2C#N)CCCC3)o1 103600324 HMRWDSANZNOFFL-WYMPLXKRSA-N 396.899 6.171 30 40 GKEB C=CCOC(=O)c1ccc(OCc2ccccc2Cl)c(Br)c1 216818532 WDYNPAATNYWNLB-UHFFFAOYSA-N 381.653 5.024 30 40 GKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1cccc(/C=N\c2ccccc2)c1 409211158 KYYNRJPLMNNPTF-CFRMEGHHSA-N 386.329 6.157 30 40 GKEB Cc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1C 409216949 MOWCSHXXKPDAPN-AFUMVMLFSA-N 392.886 5.725 30 40 GKEB Cc1ccc2nc(SCC(=O)Nc3cc(Cl)ccc3C)c(C#N)cc2c1 976906 UNOFOUOUHATBCL-UHFFFAOYSA-N 381.888 5.108 30 40 GKEB CN(C)c1ccc(/C=C2\C(=O)/C(=C\c3ccc(N(C)C)cc3)c3ccccc32)cc1 1561706 LBXCRCFJZWEKDF-MFYXSQMNSA-N 394.518 5.483 30 40 GKEB CCOc1ccc([C@H]2Sc3ccccc3NC3=C2C(=O)c2ccccc23)cc1 2441097 XTBLSOFEZDCBMO-XMMPIXPASA-N 385.488 5.952 30 40 GKEB COc1cc(/C=N/Nc2nc3ccccc3s2)ccc1OCc1ccccc1 4119365 YJKCURVEYNVXQN-OEAKJJBVSA-N 389.480 5.330 30 40 GKEB Fc1ccccc1COc1ccccc1/C=N/Nc1nc2ccccc2s1 59418083 KFAOEZKZJXBLKC-YDZHTSKRSA-N 377.444 5.460 30 40 GKEB CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@@H]1[C@@H]2c1ccc(Cl)cc1 100414040 NNGLOGDPJVKHKT-TZIWHRDSSA-N 389.882 5.382 30 40 GKEB CCCCCCCCCCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)Cl 100494991 MXDNOMBKQJWJFU-UHFFFAOYSA-N 397.831 6.126 30 40 GKEB C=CCOc1cccc(NC(=S)NCCCSCc2cccc(C)c2)c1 225604833 LGJMYOLPJZPIHD-UHFFFAOYSA-N 386.586 5.170 30 40 GKEB C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1cccc(F)c1)C2=O 253498436 JPKPGSNREZFIQX-HTGRTTPDSA-N 394.530 5.712 30 40 GKEB Fc1ccc(COc2ccccc2/C=N\Nc2ccc(C(F)(F)F)cc2)cc1 408932676 DMIRZUOCOXXKQY-ZMFRSBBQSA-N 388.364 5.870 30 40 GKEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccccc3C(C)C)c2C)c(C)c1 408934194 LPZVPQOOXWOKPK-CVKSISIWSA-N 388.511 6.063 30 40 GKEB COc1cc(N2CCCC2)c(OC)cc1/C=N\c1cccc(Cl)c1Cl 409101467 YJUARGNTZJUJOR-UUYOSTAYSA-N 379.287 5.361 30 40 GKEB CCC[C@@H](C)c1ccc(O)c(/N=C/c2cc(Br)cc(Cl)c2O)c1 3114644 NUGBPKFJXHUKHK-OHBSIKEHSA-N 396.712 6.168 30 40 GKEB C=C1CC[C@@H](O)C(C)(C)[C@H]1CC/C(C)=C\COc1ccc2ccc(=O)oc2c1 4082125 XXKXCRGLMFAXTK-BPARRACBSA-N 382.500 5.252 30 40 GKEB endogenous,in-man S=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)Nc1ccccc1 6240450 FKFUCYFLFGLJSM-BUVRLJJBSA-N 384.508 5.010 30 40 GKEB O=[N+]([O-])c1ccc(-c2ccc(/C=N/NCc3ccc(Cl)cc3)o2)c(Cl)c1 10118817 RFNRDSVOXZJMMW-SSDVNMTOSA-N 390.226 5.285 30 40 GKEB CN(Cc1ccccc1F)C(=O)c1ccccc1Sc1ccccc1C#N 12735119 QVKRRSYOZSWUCV-UHFFFAOYSA-N 376.456 5.121 30 40 GKEB Cc1cc(C(C)(C)C)cc(C)c1CS/C(N)=N/c1ccc2c(c1)OCCO2 19672037 WUYLKJUGLXEEHX-UHFFFAOYSA-N 384.545 5.252 30 40 GKEB C=CCN1C(=O)/C(=C\c2cccc(Br)c2)S/C1=N\c1ccccc1 59426414 FIGAVSRVRKDGFA-MNVZFQSXSA-N 399.313 5.239 30 40 GKEB CCCCCCCCCCCC1=C(O)C(=O)C=C(Nc2cccc(C)c2)C1=O 100393417 IAZDCINNXXFUFQ-UHFFFAOYSA-N 383.532 6.176 30 40 GKEB biogenic,in-vitro O=C(O)c1ccc(COc2ccccc2/C=N/c2ccc3ncccc3c2)cc1 165236867 UBFJJMLHPVRSLC-CVKSISIWSA-N 382.419 5.263 30 40 GKEB C=CCN(C(=O)c1cccc(SCC#N)c1)c1nc(-c2ccccc2)cs1 175518571 MSPJWFJQOQSGEX-UHFFFAOYSA-N 391.521 5.259 30 40 GKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CSc3ccccc3)c2C#N)C1 408583189 SGNGQKGCZNEFGS-OAHLLOKOSA-N 398.597 5.892 30 40 GKEB C#CCOc1ccc(CNc2ccc(Cl)cc2Cl)cc1Br 408605022 GBPVAOAYHDLGBC-UHFFFAOYSA-N 385.088 5.380 30 40 GKEB C#CCN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)cc2)C1=O 409106937 QBQZMNFUQDGBPV-ATVHPVEESA-N 385.897 5.161 30 40 GKEB Cc1ccc(/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1C 409218649 WZAMYFIEEITIOI-DHRITJCHSA-N 384.306 6.940 30 40 GKEB Cc1cc(/C=N/c2cccc(F)c2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 409387866 XMGAYPAOCZLMQZ-WYMPLXKRSA-N 396.487 5.622 30 40 GKEB O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1cccs1)Nc1ccccc1N2 883424 DWQCXGIDZWLKIY-YEJXKQKISA-N 378.522 5.789 30 40 GKEB CCCCCCCCc1cc[n+](CC(=O)c2ccc(Br)cc2)cc1 1673118 RJQBXHJDHQDZJN-UHFFFAOYSA-N 389.357 5.523 30 40 GKEB Fc1ccccc1COc1cccc(/C=N/N=C(\S)Nc2ccccc2)c1 1789321 SBDVGMGOOADSGK-OEAKJJBVSA-N 379.460 5.137 30 40 GKEB O=C(O)c1cc(N/N=C/c2cccc(OCc3ccc(F)cc3)c2)ccc1Cl 4700403 VTXJRYSYSOKUQW-WYMPLXKRSA-N 398.821 5.202 30 40 GKEB Cc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(SCC#N)n2)cc1 4952448 NEEQQDHOAVFUHM-UHFFFAOYSA-N 375.884 5.865 30 40 GKEB N#C[C@@H](Cc1ccccc1)Sc1nnc(-c2ccccc2)n1-c1ccccc1 6831586 NUQCPSJTBJBISO-OAQYLSRUSA-N 382.492 5.161 30 40 GKEB Cc1nc(N/N=C/c2c(OCc3ccccc3)ccc3ccccc23)sc1C 11992217 DOKLEJYPHQZHHM-ZVHZXABRSA-N 387.508 5.938 30 40 GKEB N#Cc1ccsc1NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12 12980366 CJOBZOBTWHIRJM-UHFFFAOYSA-N 389.455 5.478 30 40 GKEB Cn1cc(/C=C2\CCC/C(=C\c3cn(C)c4ccccc34)C2=O)c2ccccc21 39440257 BDJFOWSLTLGZMH-JSAVKQRWSA-N 380.491 5.890 30 40 GKEB N#C[C@H](C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc2ccccc2o1 41545427 XOTZTIICHZLYLX-GFCCVEGCSA-N 398.262 5.355 30 40 GKEB C[C@H]1CCc2c(-c3ccccc3)nc(S[C@@H]3CCCCC3=O)c(C#N)c2C1 95117612 WQKZEWZCQGTVCD-YCRPNKLZSA-N 376.525 5.349 30 40 GKEB C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]1C/C(=C\c1ccc(Cl)cc1)C2=O 118916219 HKMPOVRTHIXEAQ-OUJPLRSTSA-N 397.002 7.335 30 40 GKEB Cc1ccc(-c2ccc(/C=N/c3sc4c(c3C#N)CCCC4)o2)cc1Cl 408720485 REALDQCIEMEOPA-WYMPLXKRSA-N 380.900 6.471 30 40 GKEB Cc1cccc(Cn2cc(/C=N\NC(=S)Nc3ccccc3)c3ccccc32)c1 408994508 HVGPFTJVBKLNDL-MYYYXRDXSA-N 398.535 5.319 30 40 GKEB CC[C@H](C)Oc1c(Cl)cc(/C=N/c2cccc(C(=O)OC)c2C)cc1OC 409377022 FEEHJDDGAOPVSO-ZXCVBSDHSA-N 389.879 5.372 30 40 GKEB CC[C@@H](C)c1ccc([C@@H]2Sc3ccccc3NC3=C2C(=O)c2ccccc23)cc1 2202843 HOVPQAQUNRCPIN-DXPJPUQTSA-N 397.543 7.067 30 40 GKEB Brc1ccc(COc2ccc(/C=N/Nc3ccccc3)cc2)cc1 4421373 IZGDSXGYONMWFG-HYARGMPZSA-N 381.273 5.474 30 40 GKEB C=C(C)CSc1ncnc2c1sc1nc(CCCC)c3c(c12)CCCC3 4822795 UIXKJFWMEBFDGH-UHFFFAOYSA-N 383.586 6.129 30 40 GKEB C/N=C(/SCc1ccccc1)N(C)c1cnc(SCc2ccccc2)s1 6317263 YMTXHVWHFVGHRC-XUTLUUPISA-N 399.610 5.791 30 40 GKEB CC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(OCCC(C)C)cc1 20672544 LGOSHUSDKBNNBA-HSZRJFAPSA-N 389.499 5.339 30 40 GKEB CC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(OCCC(C)C)cc1 20672547 LGOSHUSDKBNNBA-QHCPKHFHSA-N 389.499 5.339 30 40 GKEB Cc1ccc(C)c(NC(=O)CSc2nc3ccc(C(C)C)cc3cc2C#N)c1 35288892 XESFSPRKMMHIDB-UHFFFAOYSA-N 389.524 5.578 30 40 GKEB Cc1ccc(/C=C2/C[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1 122115942 YMSNYXZYNBOINX-LYPNIYGQSA-N 390.567 5.881 30 40 GKEB CCCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OCC)c(C#N)c1 225823876 IBNZOPAHPOGUKU-UHFFFAOYSA-N 388.552 5.543 30 40 GKEB C[C@]12CCCC[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)C(=O)/C(=C/c3ccc(Cl)cc3)C[C@H]12 253500699 HKMPOVRTHIXEAQ-PVLICHLNSA-N 397.002 7.335 30 40 GKEB C=C(C)COc1cccc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1 260588441 JSUSWCYWJLRVLG-PMACEKPBSA-N 392.543 5.369 30 40 GKEB Cc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(C4CCCC4)c3C)S2)cc1C 408781053 QUIOKDQVMGFCHC-BKUYFWCQSA-N 393.556 5.728 30 40 GKEB Cc1ccc(NC(=O)COc2ccc(/C=N\c3ccc(C)c(Cl)c3)cc2)cc1 408804697 GRWGBOLMQVRDNV-QFEZKATASA-N 392.886 5.725 30 40 GKEB C=CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC)C2=O)cc1 408905400 AAFBJWCRDCKJLE-OCIPIQTLSA-N 378.497 5.184 30 40 GKEB COc1ccc(OC)c(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)c1 408908519 FMIWHHOVQUNWQU-DYEBMTOPSA-N 396.512 5.025 30 40 GKEB O=[N+]([O-])c1ccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1 408976528 FWRVJZXCEXXVLN-OEAKJJBVSA-N 391.496 6.517 30 40 GKEB CCc1ccc(/N=C\c2cccc(OS(=O)(=O)c3ccc(Cl)cc3)c2)cc1 409214015 WSKVWGLEYZRNEI-HAHDFKILSA-N 399.899 5.421 30 40 GKEB Cc1cc(C)c(NS(=O)(=O)c2ccc(/N=C/c3ccc(C)s3)cc2)c(C)c1 955291 JNPKFUFMCNHDRW-LPYMAVHISA-N 398.553 5.533 30 40 GKEB Cc1ccc(/N=C/c2cccc(OCc3ccccc3)c2)cc1Br 2816589 FHVJMRKMYLSZQD-OEAKJJBVSA-N 380.285 6.087 30 40 GKEB N#Cc1c(/N=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)sc2c1CCCC2 5770091 DAUHDJPZRGFFNU-FSJBWODESA-N 376.437 5.207 30 40 GKEB Cc1ccc(Sc2ccc(/C=C/C(=O)c3ccc(O)cc3)cc2[N+](=O)[O-])cc1 6048638 LCQMVKXTJFXYEE-UUILKARUSA-N 391.448 5.656 30 40 GKEB Cc1cccc(/C=N/c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1O 6217647 CNTDCSKIXWSXEX-WGOQTCKBSA-N 386.495 6.001 30 40 GKEB CCOc1cc(Br)cc(/C=N/c2ccccc2[C@H](C)CC)c1O 6440239 DCRTUSBDXBDQOU-LNOXHEFASA-N 376.294 5.818 30 40 GKEB COc1cc(C)c(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)cc1C(C)C 15013273 HNAJYLVDSSKSDM-YBFXNURJSA-N 384.476 5.158 30 40 GKEB CCCCOc1ccc(/N=C(C)/C(C)=N/c2ccc(OCCCC)cc2)cc1 15230323 PAYNIRHOBALWIV-FQHZWJPGSA-N 380.532 6.929 30 40 GKEB CC(=O)c1cccc(/N=C(\O)[C@H](C)Oc2ccc3c(C(C)C)cc(=O)oc3c2)c1 21327373 SOPFRBMEHMWWKE-HNNXBMFYSA-N 393.439 5.175 30 40 GKEB Cc1ccc2c(-c3ccccc3)nc(N/N=C/c3c[nH]c4ccccc34)nc2c1 79060688 MHKAFDBPRQHKTE-CVKSISIWSA-N 377.451 5.533 30 40 GKEB O=C1Oc2ccc(Cl)cc2N/C1=C/C(=O)c1ccc(C2CCCCC2)cc1 101355758 MSAMCJAQOMSHIO-CPNJWEJPSA-N 381.859 5.485 30 40 GKEB Cc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N\c1cccc(C(F)(F)F)c1 101764180 VYJSQICIZLJLJQ-XPHVRJPMSA-N 386.417 5.767 30 40 GKEB C=CCOc1cccc(NC(=S)N[C@H](CC(C)C)c2ccc(OC)cc2)c1 225501003 JJJPWCSNTOWGOU-OAQYLSRUSA-N 384.545 5.334 30 40 GKEB Cc1cccc(C2(C(=O)Nc3ccc(OCC(C)C)c(C#N)c3)CCCCC2)c1 225758953 BSZMADCOSPFNGM-UHFFFAOYSA-N 390.527 5.742 30 40 GKEB Cc1cc2nc(-c3cccc(NC(=O)c4ccc(C#N)cc4F)c3)oc2cc1C 408623363 SWODBJLULAIMMU-UHFFFAOYSA-N 385.398 5.375 30 40 GKEB C=CCOc1c(Cl)cc(CNc2ccc(Cl)c(Cl)c2)cc1OCC 409195293 HCIGUPOLVWQPBT-UHFFFAOYSA-N 386.706 6.222 30 40 GKEB C=CCn1c(SCc2ccc(F)cc2)nnc1-c1cc2cccc(OC)c2o1 409332640 QRLONZUQDVYJCS-UHFFFAOYSA-N 395.459 5.317 30 40 GKEB Cc1ccc(-c2c(-c3ccccc3)s/c(=N/N=C3CCCCC3)n2N)cc1 409377238 FXPITAUNLZDZNY-YYDJUVGSSA-N 376.529 5.127 30 40 GKEB CCN(CC)c1c(C#N)c(SCC(=O)c2cccs2)cc2c1CCCC2 1070220 OWUGRTFMDNGWSS-UHFFFAOYSA-N 384.570 5.320 30 40 GKEB C=CCSc1nc2sc3c(c2c(=O)n1-c1ccc(CC)cc1)CCCC3 2143291 FMJHAODIPHPUHE-UHFFFAOYSA-N 382.554 5.167 30 40 GKEB C/C(=N\OC(=O)Nc1cccc(Cl)c1)c1sc(-c2ccccc2)nc1C 4050418 GTNZFFZXHZWRSP-YDZHTSKRSA-N 385.876 5.745 30 40 GKEB Cc1ccc(C(=O)Oc2ccc(C)cc2/C=C2\Sc3ccccc3C2=O)cc1 4825206 FXNAYYHAGNBYFU-HMAPJEAMSA-N 386.472 5.852 30 40 GKEB CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Oc3ccc(C#N)cc3)ccc21 6038063 IZCWAINUQHDTMY-INIZCTEOSA-N 383.451 5.092 30 40 GKEB CCOc1cc(/C=N/c2ccccc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 6961364 YOKDNVWXRRPBLX-BUVRLJJBSA-N 390.439 5.632 30 40 GKEB COc1cccc(/C=C2\Oc3cc(OCc4ccc(F)cc4)ccc3C2=O)c1 13787057 UBVMULCWKMXJGK-UUYOSTAYSA-N 376.383 5.030 30 40 GKEB Cn1cc(/C=C2\Oc3cc(OCc4ccc(F)cc4)ccc3C2=O)c2ccccc21 28182495 IEZASMWCAHFEIV-MSXFZWOLSA-N 399.421 5.513 30 40 GKEB CCCCCCCCCn1c(-c2ccc(OC)c(OC)c2)nc2ccccc21 50861335 JKCNQZRTLORUIT-UHFFFAOYSA-N 380.532 6.471 30 40 GKEB Cc1ccc(-c2nc(/N=C/c3cccc([N+](=O)[O-])c3)sc2-c2ccccc2)cc1 59463819 PULRTFYUCLXULQ-BUVRLJJBSA-N 399.475 6.444 30 40 GKEB CCCCCCCCCCCCCCCCCC(=O)N(O)c1ccccc1 70665332 FLLZBMITAFEFHP-UHFFFAOYSA-N 375.597 7.670 30 40 GKEB biogenic CCCCCCCCCCCCCCCCCCNc1ccc(OC)cc1 98044758 SFDDCBOFQQLKRV-UHFFFAOYSA-N 375.641 8.369 30 40 GKEB CC1(C)[C@H]2CC[C@@]1(C)C(=O)/C2=C\[C@@H](Cc1ccccc1)C(=O)Oc1ccccc1 100366931 UTUGYCPSXHQSSU-KULGECOCSA-N 388.507 5.403 30 40 GKEB Cc1ccc(C2(C(=O)Nc3ccc(OCC(C)C)c(C#N)c3)CCCCC2)cc1 225760224 SBKCWZJNXJMQSM-UHFFFAOYSA-N 390.527 5.742 30 40 GKEB COc1ccc(-c2ccc(C(=O)n3cc(C#N)c4ccccc43)o2)cc1Cl 226361809 ZZGQCFCLPUFWSZ-UHFFFAOYSA-N 376.799 5.123 30 40 GKEB CC(C)c1ccc(/N=C/c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)cc1 408541860 IEJNNHVDGOQNJS-DHRITJCHSA-N 386.451 5.855 30 40 GKEB N=c1[nH]nc(-c2cccc(/N=C/c3c4ccccc4cc4ccccc34)c2)s1 408718358 UEYSSGPVCXKJTB-AFUMVMLFSA-N 380.476 5.675 30 40 GKEB O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1ccc(-c2cccc(F)c2)o1 409010519 FHNADXQKKZDZMB-WQRHYEAKSA-N 398.846 5.631 30 40 GKEB CCc1ccc(/C(C)=N/Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 409053808 QBNWJQJDMZXSQA-FSJBWODESA-N 390.339 6.515 30 40 GKEB C=CCc1cc(CNc2ccc(Oc3ccccc3)cc2)cc(OC)c1OC 409116515 OAXJMHUCVVUKBJ-UHFFFAOYSA-N 375.468 5.837 30 40 GKEB CCc1ccc(/N=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 409215517 AIFFKJLGWFLRGF-QFEZKATASA-N 384.306 6.885 30 40 GKEB COc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2CC(C)(C)CC3=O)cc1 822850 CJMUZMUSCIZZDD-VWLOTQADSA-N 383.491 6.158 30 40 GKEB N#Cc1c(NC(=O)COc2cccc3ccccc23)sc2c1CCCCC2 2248619 NTQRYRNEUIWCPA-UHFFFAOYSA-N 376.481 5.059 30 40 GKEB COc1ccc(OC)c(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3[nH]2)c1 5071896 CRICOUIPKPGWFW-CYVLTUHYSA-N 384.435 5.004 30 40 GKEB CC(C)[C@@H](c1ccc(Cl)cc1)[C@@H](C#N)c1cccc(Oc2ccccc2)c1 5761166 XTIPCTXNTSRYDV-ZEQRLZLVSA-N 375.899 7.179 30 40 GKEB CCOc1ccc(/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1 6962573 CFDCNWPSRKQQFD-HZHRSRAPSA-N 376.412 5.323 30 40 GKEB O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1Cl)Sc1ccccc1N2 7449879 PDQCRFGWDAUEAT-LJQANCHMSA-N 376.308 6.259 30 40 GKEB C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccc(OCC)cc3)c12 8342533 PNCIRUZKGSXWRE-NTCAYCPXSA-N 385.467 5.078 30 40 GKEB Cc1ccccc1/N=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12 8570803 UUNDJMZRLCXBGD-WGOQTCKBSA-N 396.446 6.386 30 40 GKEB Oc1ccccc1/C=N/c1cccc(N(Cc2ccccc2)Cc2ccccc2)c1 17355096 BGITVMSRNRNFGO-TURZUDJPSA-N 392.502 6.350 30 40 GKEB CCCCCCCCOc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1 408585438 DSNQGADXXDWACY-UHFFFAOYSA-N 393.449 6.697 30 40 GKEB CCOc1cc(/C=C2/S/C(=N\c3c(C)cccc3C)N(CC)C2=O)ccc1O 408905886 GCBDXCBEHJGCGS-NMSSZPRHSA-N 396.512 5.032 30 40 GKEB O=C(O)c1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1 408933951 CKMHAQDGYASKAT-IJOHZJHPSA-N 394.474 5.962 30 40 GKEB CC(C)(C)c1ccc(/N=C\c2cc(Br)cc([N+](=O)[O-])c2O)cc1 409102758 TYJLWJNBDGKVFR-GRSHGNNSSA-N 377.238 5.111 30 40 GKEB COc1cccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c1 843751 HSQIZMYZKZMLNW-VWLOTQADSA-N 383.491 6.158 30 40 GKEB Oc1ccccc1/C=N/c1ccc2nc(-c3ccc(Cl)cc3Cl)[nH]c2c1 1057387 UFVXEUKHBVWKPO-FOKLQQMPSA-N 382.250 5.993 30 40 GKEB Cc1c(/N=C/c2cc(Cl)cc(Cl)c2O)cccc1-c1nc2ccccc2o1 4549235 AJNCAKOAWGCRCQ-BHGWPJFGSA-N 397.261 6.566 30 40 GKEB Cc1c(C(=O)O)cccc1-c1ccc(/C=N\Nc2ccc(Br)cc2)o1 4655951 XSWMZGMUJQTAAH-NHDPSOOVSA-N 399.244 5.162 30 40 GKEB N#C/C(=N/Nc1cccc(F)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 6496223 VMKXDZBCNPCELI-HFTWOUSFSA-N 398.466 5.956 30 40 GKEB CCOc1ccc(/C=C2\S/C(=N/c3ccc(C)c(C)c3)N=C2O)cc1OC 6554490 YPAGLBUYFMOAEQ-UNOMPAQXSA-N 382.485 5.443 30 40 GKEB C=CCN(Cc1cccs1)C(=O)N[C@H](c1ccccc1)c1ccc(OC)cc1 9517071 URWVNRKGMYMIBZ-JOCHJYFZSA-N 392.524 5.244 30 40 GKEB C=CC/N=c1\scc(-c2ccc(C(C)(C)C)cc2)n1-c1cccc2ccccc12 17201468 YPVNVEOXWPQYIG-RFBIWTDZSA-N 398.575 6.743 30 40 GKEB C=CCn1c(-c2ccccc2)c(NC(=O)CC)s/c1=N\c1ccccc1Cl 27015966 LEDXSPBJAGQSBS-LNVKXUELSA-N 397.931 5.637 30 40 GKEB CC(C)(C)c1ccc(-c2nc3ccc(/N=C/c4ccc(Cl)cc4)cc3o2)cc1 102417437 SGRSPHCVHUERMV-CVKSISIWSA-N 388.898 7.196 30 40 GKEB Cc1cc2c(cc1C)CN(c1ccc(/N=C/c3ccc(Cl)cc3Cl)cc1)C2 408734618 ZURFMJYAWXROPF-RPPGKUMJSA-N 395.333 6.881 30 40 GKEB Cc1cc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1-c1ccc(Cl)cc1 408738480 YYTGMTTWXUUBBM-SSDVNMTOSA-N 388.254 6.060 30 40 GKEB CCN1C(=O)/C(=C\c2cc(Cl)ccc2O)S/C1=N\c1c(C)cccc1C 408912310 PSEOTEQOOANCQI-SLHJDRLVSA-N 386.904 5.286 30 40 GKEB CCOc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)ccc1O 409091879 SVUHMFMOJZZYJN-GMJSKMFWSA-N 382.529 5.626 30 40 GKEB Cc1ccccc1Oc1ccc(/N=C/c2cc(C)n(-c3ccccn3)c2C)cc1 409231751 KIOUUTAIYIZBAY-WPWMEQJKSA-N 381.479 6.340 30 40 GKEB N#Cc1ccc(-c2csc([C@H](C#N)C(=O)C[C@@]34CCCC[C@@H]3C4(F)F)n2)cc1 585094030 YEWZIIFKKKRKNB-BPAFIMBUSA-N 397.450 5.074 30 40 GKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(C)o3)c2C#N)C1 996640 IVPAZHHPOHGJSP-SLZMIMFISA-N 382.529 5.714 30 40 GKEB Cc1ccccc1-c1nc2cc(/N=C/C=C/c3ccc4c(c3)OCO4)ccc2o1 1879421 XSIRZMJQRZAOGC-MLZQUUFASA-N 382.419 5.948 30 40 GKEB Cc1cc(O)c(/C=N/c2ccc3oc(-c4ccccc4)nc3c2)c(C)c1Cl 3066564 UDDNLMHOTRGSPW-WYMPLXKRSA-N 376.843 6.221 30 40 GKEB O=[N+]([O-])c1cc(/C=N/c2ccc(-c3ccccc3)cc2)ccc1Br 3126773 RQOKBLXWVZQKNU-FYJGNVAPSA-N 381.229 5.775 30 40 GKEB Cc1cc(Nc2nc(-c3ccccc3)cs2)n2c(nc3ccccc32)c1C#N 5336978 VDNQZDJGFCTALG-UHFFFAOYSA-N 381.464 5.535 30 40 GKEB Cc1ccc(/N=C2\S/C(=C\c3ccccc3)C(=O)N2c2ccc(C)cc2)cc1 16739216 CGFZQVFQGMSVTQ-WMOWQXFYSA-N 384.504 6.112 30 40 GKEB C/C(=N\OCc1nnc(-c2ccccc2)o1)c1ccc(-c2ccc(F)cc2)s1 36393430 QZLXATFEFYLHGK-AFUMVMLFSA-N 393.443 5.545 30 40 GKEB CCOc1ccc(C(=O)/C=C/Nc2ccc3c(c2)c2ccccc2n3CC)cc1 51318828 MLQLBJNKDWIRRE-FOCLMDBBSA-N 384.479 6.022 30 40 GKEB Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2cccc3ccccc23)S1 59224284 SCAYNCCENWTCGO-ODLFYWEKSA-N 378.884 5.693 30 40 GKEB C=CCSc1ccccc1C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 219818044 MWKIVUNVQSKHJJ-SFHVURJKSA-N 383.513 5.006 30 40 GKEB Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/OCc2ccccc2C#N)c1C 408595446 WYELVWNKBKUKHP-DHRITJCHSA-N 377.875 5.478 30 40 GKEB Cc1cc(/C=N/c2ccc(-c3ccccc3)cc2)c(C)n1-c1ccc(N(C)C)cc1 408740461 KWBMTJVVPITGEX-TURZUDJPSA-N 393.534 6.578 30 40 GKEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)nc1 408750634 PRFINKLHGJJSPS-AWQFTUOYSA-N 377.187 5.003 30 40 GKEB CCCN1C(=O)/C(=C\c2ccc(OC(C)C)cc2)S/C1=N\c1ccc(C)cc1 408911308 JWTYHPPKKKBFHL-NVZLDUMVSA-N 394.540 5.796 30 40 GKEB COC(=O)c1ccc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)cc1 408976906 STZZDDJGGZQLQH-ZMOGYAJESA-N 386.363 5.208 30 40 GKEB CC[C@@H](C)c1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)cc1 409090022 ODDPHNKICIZIRL-GZPJKGAFSA-N 379.956 7.755 30 40 GKEB Cc1ccc(-n2c(C)cc(C=C3C(=O)c4ccccc4C3=O)c2C)cc1Cl 409393668 YXKFVNTXDBWKEZ-UHFFFAOYSA-N 375.855 5.519 30 40 GKEB F/C(=C/CC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F 575330440 MOLMVKRZPILYLA-HNQUOIGGSA-N 396.093 5.896 30 40 GKEB Cc1ccc2oc(-c3cccc(/N=C/c4cc(Cl)cc(Cl)c4O)c3)nc2c1 3084968 LZNAHVUJMHKTAU-BHGWPJFGSA-N 397.261 6.566 30 40 GKEB Cc1ccc(/C=N/c2ccc(CCc3ccc(/N=C/c4ccc(C)o4)cc3)cc2)o1 3245630 VYNNRDHKPMPXRO-XUIWWLCJSA-N 396.490 6.776 30 40 GKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@H]2c1ccccc1Cl 4035923 FLBGZRASUOJRMN-JOCHJYFZSA-N 388.898 6.089 30 40 GKEB C/C(=N\Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc(C)cc1 4416756 VBTOZSMIUOBMSV-FYJGNVAPSA-N 386.318 5.717 30 40 GKEB Cc1cc(C)c(/N=C/c2c(O)c([N+](=O)[O-])cc3oc4c(c23)CCCC4)c(C)c1 4859724 WREBYRMQFRVAQM-FOKLQQMPSA-N 378.428 5.601 30 40 GKEB CN1C=C/C(=C\c2c(C#N)c3nc4ccccc4n3c3ccccc23)c2ccccc21 5611335 CABKIINUNQCLMK-FBMGVBCBSA-N 398.469 6.016 30 40 GKEB C=CCNC(=S)Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 6185920 RZUZPRMIUIGSFU-UHFFFAOYSA-N 396.519 5.436 30 40 GKEB CCN1C(=O)/C(=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c2ccccc21 6496999 FLIWOPXHHPGXNW-RUPJRZHISA-N 391.540 5.258 30 40 GKEB CCc1ccc(/N=C/c2ccc(OCc3cccc4ccccc34)c(Cl)c2)cc1 8084724 DEOUVWZAZTYXEA-OGLMXYFKSA-N 399.921 7.385 30 40 GKEB Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2)c(C)c1 8368582 NCTGGMURONARJM-DHRITJCHSA-N 384.306 6.940 30 40 GKEB C=CCOc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 11914515 BQFNAKNHOLTRFT-UHFFFAOYSA-N 386.476 5.780 30 40 GKEB CSc1nc(Nc2cccc(F)c2)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 19820444 NZRFHBVWVMEIRX-UHFFFAOYSA-N 392.503 5.917 30 40 GKEB CCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCC 97944224 UTHPRQBCDYTNGP-UHFFFAOYSA-N 396.660 6.280 30 40 GKEB CCCCCCCc1ccc(-c2ccc(I)cc2)nc1 97949669 JRAODRYEQYKKOD-UHFFFAOYSA-N 379.285 5.866 30 40 GKEB CCCCCCCCCCCCN[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 97995531 PFWZAJQVLQPZOF-FQEVSTJZSA-N 392.971 5.482 30 40 GKEB CCCCCCCCCCCCCCCC/N=C\c1cc(Cl)ccc1O 104363803 CWMVHMKAKGUVAY-QQTULTPQSA-N 380.016 7.946 30 40 GKEB CCN1c2ccc(/C=N/c3ccc(N4CCOCC4)cc3)cc2[C@@H](C)CC1(C)C 198094744 RHPXEHPHWGTIIC-FIKCODCVSA-N 391.559 5.386 30 40 GKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(/N=C/c3ccc(O)cc3)cc1)N2 253577485 XCVAGNAIAKKPKT-KMJBSNCISA-N 380.491 6.278 30 40 GKEB CCCCOc1ccc2ccccc2c1/C=N/N(c1ccccc1)c1ccccc1 409014748 YIUJEDVEIJXOJY-SGWCAAJKSA-N 394.518 7.191 30 40 GKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1ccc(-c2ccccc2)o1 409072182 MHJIWJDDZBOSGV-SSDVNMTOSA-N 375.306 5.320 30 40 GKEB C=CCc1cc(CNc2ccccc2)cc(OCC)c1OCc1ccc(C)cc1 409109922 NYYLVLDOZXONSX-UHFFFAOYSA-N 387.523 6.313 30 40 GKEB COc1ccc(-c2ccc(C#N)c(OC(=O)c3c(Cl)cccc3Cl)n2)cc1 3128368 CBUHYOVBBZQZHG-UHFFFAOYSA-N 399.233 5.155 30 40 GKEB aggregator Cc1cccc(C(=O)Nc2ccc(C(=O)/C=C/c3ccccc3Cl)cc2)c1 4154781 FQBOBBUZZXBLGZ-SDNWHVSQSA-N 375.855 5.797 30 40 GKEB COc1ccc(Cl)cc1N/N=C(\C#N)c1nc(-c2ccc(C)c(C)c2)cs1 4175551 LZEIXGBNATXJIX-KOEQRZSOSA-N 396.903 5.429 30 40 GKEB O=C1/C(=C/Nc2ccccc2)[C@H](Nc2ccccc2)Oc2ccc(Cl)cc21 5395085 DWXIVNHSMQQMCZ-PZNLSKEWSA-N 376.843 5.349 30 40 GKEB N#CCOc1ccc([C@@H]2Nc3c(Br)cccc3[C@H]3C=CC[C@H]32)cc1 6971353 MIJHOFIDMUWGSD-FCEWJHQRSA-N 381.273 5.178 30 40 GKEB COC(=O)c1ccc(/N=N/C(=N\Nc2nc3ccccc3o2)c2ccccc2)cc1 15938253 PBEQCAJBTWMULP-NANGTYGOSA-N 399.410 5.172 30 40 GKEB C=CCc1cc(/C=N/c2ccc(C(=O)OCCCC)cc2)cc(OCC)c1O 59249953 MLTZMPBNUANKMC-LFVJCYFKSA-N 381.472 5.227 30 40 GKEB CCCCCCCCCCCCCCCCCCCCCCCCC(C)C 86051460 BEBPORIYFVRVCP-UHFFFAOYSA-N 380.745 10.635 30 40 GKEB endogenous,in-man CCCc1nn(-c2nc3ccccc3s2)c(O)c1/C(C)=N/c1ccc(C)cc1 103342068 HQGGNMQLMFTNKK-HZHRSRAPSA-N 390.512 5.589 30 40 GKEB CCCCCCCCCCCCN[C@@H](C)C1=C(O)C(=O)c2ccccc2C1=O 104083507 UGZSECUAULSVSQ-SFHVURJKSA-N 385.548 5.777 30 40 GKEB Cc1ccc(-c2ccc(/C=C/C(=O)n3cc(C#N)c4ccccc43)o2)cc1[N+](=O)[O-] 226362389 DBTLGCQMXLWHCX-PKNBQFBNSA-N 397.390 5.343 30 40 GKEB COc1ccc(Cl)cc1-n1c(C)cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)c1C 408908805 DGIKOFBJCMHFNL-UUYOSTAYSA-N 398.850 5.110 30 40 GKEB COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OCc1ccc(C)cc1 408909577 HDBVXJFDVUMMSA-UHFFFAOYSA-N 384.431 5.045 30 40 GKEB Cc1ccc(C(=O)O)cc1/N=C\c1cc(C)n(-c2ccc3ncccc3c2)c1C 408967442 RLPHZQOZLPBISO-WGARJPEWSA-N 383.451 5.400 30 40 GKEB CCCC(=O)C1=C(Nc2ccc3ccccc3c2)C[C@@H](c2ccccc2)CC1=O 721593 ZSKGYVWJEFWBIQ-OAQYLSRUSA-N 383.491 6.022 30 40 GKEB CCOc1cccc(/C=N/c2cccc(-c3nc4cc(C)cc(C)c4o3)c2)c1O 826438 DRLYWMRQESUOSF-AFUMVMLFSA-N 386.451 5.967 30 40 GKEB O=C1C[C@H](c2ccc(Cl)cc2)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)O1 1390827 KIZZGYPNLVSPQY-RHSMWYFYSA-N 387.262 5.425 30 40 GKEB COc1cccc(/C=N/c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1O 1505727 ZQLRMZWMJVQEQY-YDZHTSKRSA-N 380.831 5.057 30 40 GKEB N#Cc1c(-c2ccc(F)cc2)cc(-c2ccccc2)nc1SCC(=O)C1CC1 2372243 VXWFYQWVGNJSMJ-UHFFFAOYSA-N 388.467 5.498 30 40 GKEB COc1ccc(-c2cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n[nH]2)cc1 2525776 FUTCIVNJEZKLNS-UHFFFAOYSA-N 392.221 5.010 30 40 GKEB Cc1ccccc1N/N=C/c1cc([N+](=O)[O-])ccc1N(CC(C)C)CC(C)C 4180732 DBKFARVAZFPXOU-YDZHTSKRSA-N 382.508 5.468 30 40 GKEB CCc1c(C)c(C#N)c2nc3ccccc3n2c1SCc1ccccc1Cl 5454309 HXOIMLGSYXDAQC-UHFFFAOYSA-N 391.927 6.176 30 40 GKEB Cc1ccc(C[C@@H](C#N)Sc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)cc1 7791057 QQPPEKGQSZEFBZ-SFHVURJKSA-N 399.523 5.297 30 40 GKEB Cc1ccc(C[C@H](C#N)Sc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)cc1 7791065 QQPPEKGQSZEFBZ-GOSISDBHSA-N 399.523 5.297 30 40 GKEB C=CCOc1c(Cl)cc(CN[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1OC 8534848 ACZDRBMOFGSWNJ-LRYXAPPNSA-N 389.967 5.608 30 40 GKEB O=C1/C(=C/C=C/c2ccccc2)Oc2cc(OC/C=C/c3ccccc3)ccc21 8765277 XVNKBCYGGXNMLG-RTNGXHSKSA-N 380.443 5.951 30 40 GKEB biogenic Clc1ccc(CN/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 10118787 TUPRNCMYNFFHBW-FOKLQQMPSA-N 379.674 6.031 30 40 GKEB Oc1ccc(Br)cc1/C=N/c1cccn2cc(-c3ccccc3)nc12 15961173 RNFBNZKVTPGHIR-WSDLNYQXSA-N 392.256 5.220 30 40 GKEB C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)N(Cc1cccnc1)Cc1ccccc1OC)C2 19460715 FZSILBDNDZMALB-PXDATVDWSA-N 390.527 5.002 30 40 GKEB Cc1ccc(-c2cc(-c3ccc(Br)cc3)c(C#N)c(N)c2C#N)cc1 36612620 DBOYTGXNGZOTSJ-UHFFFAOYSA-N 388.268 5.417 30 40 GKEB CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1-n1ccnc1 50860238 ZEIIZYANMVLJQA-UHFFFAOYSA-N 385.515 5.756 30 40 GKEB CC(C)N1C(=O)/C(=C\c2ccc(Cl)cc2Cl)S/C1=N\c1ccccc1 408906473 BTPDYZYQQYIZME-PDHVABIUSA-N 391.323 6.006 30 40 GKEB Cc1cc(/C=N/c2ccc3ncccc3c2)c(C)n1-c1ccc(C(C)(C)C)cc1 408964638 DADQNNGQXWVALU-OGLMXYFKSA-N 381.523 6.690 30 40 GKEB O=C1ON=C(c2ccccc2)/C1=C/c1ccc(OCc2ccccc2)c(Cl)c1 409078188 HYAPHFIKCJFCAL-UYRXBGFRSA-N 389.838 5.264 30 40 GKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3cccc(OCC#N)c3)c2C#N)C1 409080982 OROGFDLFCRRTRB-MMDHUZEPSA-N 377.513 5.424 30 40 GKEB CC[C@H](C)c1ccc(O)c(/N=C/c2cc(Br)cc(Cl)c2O)c1 793450 LYISTVOKZCQUGR-YPZZKDGISA-N 382.685 5.778 30 40 GKEB O=C(/C=C/Nc1scc2c1c(=O)oc1ccccc12)c1ccc(Cl)cc1 983944 JGUIMPPMKNTHKZ-MDZDMXLPSA-N 381.840 5.470 30 40 GKEB Cc1ccc2nc(-c3cc(/N=C/C=C/c4ccc(Cl)cc4)ccc3O)oc2c1 2896125 VRDJVPRHUJQSJD-JRUCXRJDSA-N 388.854 6.578 30 40 GKEB O=C1N/C(=N\c2ccc(O)cc2)S/C1=C\c1cccc(Oc2ccccc2)c1 4174745 ZRDFZCSGPNKRPG-ZHZULCJRSA-N 388.448 5.076 30 40 GKEB COCCN1Cc2cc3cc(C)ccc3nc2S/C1=N\c1cccc(C)c1 4858588 GXJGNZBLEWUWPA-FCQUAONHSA-N 377.513 5.093 30 40 GKEB CC/C(=N\NC(=S)Nc1cccc(C)c1C)c1ccc(OC(F)F)cc1 4871716 XQXKRCDQAZTCNU-XQNSMLJCSA-N 377.460 5.006 30 40 GKEB C=CCn1c(SCc2ccc(C)cc2)nc2sc3c(c2c1=O)CCCC3 5100667 WMJMPABEIYEIRG-UHFFFAOYSA-N 382.554 5.124 30 40 GKEB Cc1oc(-c2cccs2)nc1C(=O)Nc1sc2c(c1C#N)CCCCC2 84053024 COFYNBWHWOIEQG-UHFFFAOYSA-N 383.498 5.166 30 40 GKEB CC/N=C1\S/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N1CC 100232782 FDGMHVXFEWDBLE-OTUPYVCLSA-N 392.933 5.396 30 40 GKEB COc1ccc(/C=N/CC[C@@H](c2ccc(F)cc2)[C@H]2CCOC(C)(C)C2)cc1 100716614 CNGLEPKVVNXFJC-AZDINULQSA-N 383.507 5.632 30 40 GKEB CCOc1ccc(/C=N\c2ccc3c(c2)c2nc4ccccc4nc2n3C)c(O)c1 100736726 JSIKZZWEDLGQBB-QFEZKATASA-N 396.450 5.130 30 40 GKEB CCCCCCCCOC(=O)[C@@H]1CC=CC[C@H]1C(=O)OCCCCCCCC 100744146 WWNWIBTTWTVLMZ-FGZHOGPDSA-N 394.596 6.376 30 40 GKEB C[C@]12CCCC[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](/N=C/c3ccccc3O)CC[C@@H]12 118918979 KCNVLMLASJSATC-CYVZMLAXSA-N 379.588 6.613 30 40 GKEB biogenic C=CCSc1ccccc1C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 219817209 RDJCOVZKQKWMIV-IBGZPJMESA-N 394.584 5.692 30 40 GKEB CCOc1cc(/C=C2\CCCC/C(=C(/O)C(F)(F)F)C2=O)cc(Cl)c1O 408562832 DSXDRQONHGXAHD-SFXQBQATSA-N 390.785 5.345 30 40 GKEB CCc1ccc(-n2c(C)cc(/C=N/c3ccc(Br)c(C)c3)c2C)cc1 408761601 GWFUWQXNPSOJSW-ZVHZXABRSA-N 395.344 6.478 30 40 GKEB COc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCc1ccc(C)cc1 409210555 LJHAOKKTCWUWSH-AFUMVMLFSA-N 379.887 6.295 30 40 GKEB C=CCn1cnc2c(oc3nc(-c4ccccc4)cc(-c4ccccc4)c32)c1=O 2507063 ISEAFOTXLOGQFQ-UHFFFAOYSA-N 379.419 5.058 30 40 GKEB C/C(=N\Nc1cccc(C(=O)O)c1)c1ccc2c(c1)Nc1ccccc1S2 4867233 JZGOBJGQFXAMSR-YDZHTSKRSA-N 375.453 5.429 30 40 GKEB C=CCC1(O)[C@@H](C)[C@@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@H]1C 5101752 AUYAXWJFEBJXAN-GTSPYVDBSA-N 390.354 5.958 30 40 GKEB C/C(=N/N=C(/C)c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 5412018 LCLPMJFCNUVGJT-DHQAUHHZSA-N 388.514 7.254 30 40 GKEB O=[N+]([O-])c1ccc(Cl)c(-c2ccc(/C=N/NCc3ccc(Cl)cc3)o2)c1 10118815 QKZHPNRRSQXMNH-SSDVNMTOSA-N 390.226 5.285 30 40 GKEB CCOc1cc(/C=N/NCc2ccc(Cl)cc2)cc(Cl)c1OC(C)C 10119109 YEYQWNQBRNAIDT-FSJBWODESA-N 381.303 5.303 30 40 GKEB FC(F)(F)CNc1ccc(OCCC(F)(F)C(F)(F)Br)cc1 98211077 VZTKVKQQKIYVRW-UHFFFAOYSA-N 398.116 5.053 30 40 GKEB Cc1cc2c(cc1/C=N\NC(=S)Nc1ccccc1)[C@@H](C)CC(C)(C)N2C 208214525 AHZKAGFZOPQZLC-ZGWJWYQGSA-N 380.561 5.038 30 40 GKEB C=CCOc1ccc(NC(=S)N[C@H](c2ccccc2)c2ccccc2C)cc1 225506819 AUWVAIWFRPPQJJ-HSZRJFAPSA-N 388.536 5.636 30 40 GKEB Cc1ccc(-c2nc(/N=C/c3ccc(C(C)C)cc3)sc2-c2ccccc2)cc1 408723015 PNALWQGDGUKNKB-WPWMEQJKSA-N 396.559 7.660 30 40 GKEB CCN(CC)c1ccc(/N=C/c2cc(Br)c(N3CCCC3)o2)cc1 408855564 OCXVUAZNZVBDDU-KGENOOAVSA-N 390.325 5.239 30 40 GKEB CC[C@H](C)Oc1ccc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1OC 408967284 UJROSRVRAPBWFP-NPRIEWAGSA-N 396.512 5.073 30 40 GKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1ccc(N2CCCCCC2)o1 409067220 PSIWHVASLDSMEQ-WSDLNYQXSA-N 396.369 5.033 30 40 GKEB COc1cccc(/C=N/c2cc(-c3nc4cc(Cl)ccc4o3)ccc2C)c1O 808983 CPXVYLXTJRYVOU-WYMPLXKRSA-N 392.842 5.921 30 40 GKEB Clc1ccc(/C=N/c2c(-c3ccco3)nc3ccc(Cl)cn23)c(Cl)c1 863099 MIUVNUDQMRXJQS-LSFURLLWSA-N 390.657 6.305 30 40 GKEB Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(C)c2)cc1 1077615 KKUYRVOWKGLJEO-JIPXPUAJSA-N 394.518 6.283 30 40 GKEB COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccco2)C3)cc1 1458975 JFOBHJSTTYLBTD-VOIUYBSRSA-N 386.451 5.268 30 40 GKEB CNC(=O)C(C#N)(Cc1cccc2ccccc12)Cc1cccc2ccccc12 3418371 RXKWWYUHAPBZLD-UHFFFAOYSA-N 378.475 5.034 30 40 GKEB C[C@H]1[C@@H](c2ccccc2)N(C)[C@H](c2ccccc2)[C@@H](C)C1(O)C#Cc1ccccc1 4477938 HMVLFUWQWMPWKQ-UDJZHULISA-N 395.546 5.469 30 40 GKEB CC1(C)C[C@@]2(CCO1)/C(=N/c1ccccc1)NC(=S)N2c1ccc(Cl)cc1 5862208 SAVRXNNGRUCLAL-NRFANRHFSA-N 399.947 5.093 30 40 GKEB Cc1ccc(/N=C/c2ccc(-c3cc(Cl)ccc3C(=O)OC(C)C)o2)cc1 6840463 GBEPMPKYNLNPBC-ZMOGYAJESA-N 381.859 6.224 30 40 GKEB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Oc2ccc(-c3ccc(C#N)cc3)cc2)c1C 7549892 YDKHMAFPRCTADV-QGZVFWFLSA-N 386.451 5.023 30 40 GKEB N#Cc1ccc(/C=C2\OCc3nc4ccccc4c(-c4ccccc4)c3C2=O)cc1 96319352 LCAGSETWIOOCGS-UCQKPKSFSA-N 388.426 5.527 30 40 GKEB C=CCN1C(=O)S/C(=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@@H]3C)C1=O 223613910 JRYQURGDJAVXII-DEFALTHMSA-N 398.572 5.718 30 40 GKEB Cc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])c(C)n1-c1ccc(C(C)(C)C)cc1 408966265 KZAQOHZNJGWBDR-ZVHZXABRSA-N 391.475 5.141 30 40 GKEB COc1cc(/C=N\c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc(OC)c1 409215917 CCKQPXMORSXBHU-PSHHWHLWSA-N 382.529 5.539 30 40 GKEB C=C(Br)Cn1c(COc2cc(C)ccc2C(C)C)nc2ccccc21 1470594 KHKIIKIXLBCPNZ-UHFFFAOYSA-N 399.332 5.956 30 40 GKEB C=C(C)COc1ccc2c(=O)c(Oc3ccc(C(=O)OCCC)cc3)coc2c1 2103212 LHCWKCZBALIPCJ-UHFFFAOYSA-N 394.423 5.107 30 40 GKEB biogenic COc1ccc(/C=N/c2ccc(C3c4ccccc4Oc4ccccc43)cc2)cc1 4315150 MRBVBEITBDKJEA-MTDXEUNCSA-N 391.470 6.732 30 40 GKEB C=CCOc1ccc(C2(c3ccc(OCC=C)cc3)C(=O)Nc3ccccc32)cc1 5601054 QFZZUHUTHLFBQN-UHFFFAOYSA-N 397.474 5.103 30 40 GKEB N#C[C@@H](c1ccccc1)c1ccc(NCC(=O)Nc2ccccc2F)cc1Cl 6083920 NNASMQRWILGZTC-SFHVURJKSA-N 393.849 5.185 30 40 GKEB N#Cc1cccc(Cn2cc(/C=N/NCc3ccccc3Cl)c3ccccc32)c1 8812004 FJCSJFWDNKBYNU-RWPZCVJISA-N 398.897 5.338 30 40 GKEB C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 30729660 ZEPNVCGPJXYABB-PTMXDYRQSA-N 396.659 7.475 30 40 GKEB in-vitro O=C1/C(=C/c2ccc(-c3ccccc3)cc2)Oc2c1ccc1c2CN(C2CC2)CO1 41660859 MHXXXICWTYEJCZ-OYKKKHCWSA-N 395.458 5.284 30 40 GKEB c1ccc(/N=C2\SC(=NNc3ccccc3)S\C2=N\c2ccccc2)cc1 103711085 UCCZGUNZUWTDPB-ZXJOKXKDSA-N 388.521 6.310 30 40 GKEB C=CCN1C(=O)/C(=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3CC)SC1=S 208307241 ZLTQXZBCZYQZGB-IIMQCXAKSA-N 386.586 5.186 30 40 GKEB C(=N/Nc1nc2ccccc2[nH]1)\c1ccc(OCc2cccc3ccccc23)cc1 408723196 OZQXERWPYIVNDL-WGOQTCKBSA-N 392.462 5.741 30 40 GKEB C(=N/c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)\c1cccn1-c1ccccc1 408853953 UEEPJJCVYYDCGR-TURZUDJPSA-N 380.535 6.696 30 40 GKEB C=CCN1C(=O)S/C(=C\c2ccccc2Sc2ccc(Cl)cc2)C1=O 409097903 HTCKCYJDOWHZDU-ATVHPVEESA-N 387.913 5.714 30 40 GKEB Cc1cccc(/N=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)c1C 409198919 AGYFARJDERQOGG-LQKURTRISA-N 399.921 7.440 30 40 GKEB Cc1ccc(S(=O)(=O)Oc2cccc(/C=N\c3cccc(Cl)c3C)c2)cc1 409207812 ALGZOYFOPMVLHW-UCQKPKSFSA-N 399.899 5.475 30 40 GKEB Cc1ccc2nc(-c3ccc(/N=C/c4cc([N+](=O)[O-])ccc4O)cc3)sc2c1 1883462 INCFCBPGHXKSHD-WSDLNYQXSA-N 389.436 5.636 30 40 GKEB O=C1N/C(=N/c2ccc(Cl)c(C(F)(F)F)c2)S/C1=C/C=C/c1ccco1 5376749 ZFQPWTPGDXZTAV-GSPDUGTFSA-N 398.793 5.400 30 40 GKEB C#CCOc1ccccc1CN[C@H](c1ccccc1)c1ccc(OC(F)F)cc1 7988735 ZGFJRYLZAHOKSZ-HSZRJFAPSA-N 393.433 5.179 30 40 GKEB Cc1ccc(C)c(S(=O)(=O)/N=C(/Nc2ccccc2)c2ccc(Cl)cc2)c1 18058245 AORINAXMMWCYLK-UHFFFAOYSA-N 398.915 5.204 30 40 GKEB O=C(NC1CCCCC1)c1c(/N=C/C=C/c2ccccc2)sc2c1CCCC2 59246047 DIDPRZZYYZGCAG-UKQHYDMASA-N 392.568 6.105 30 40 GKEB CCCCCCCCCCCC1=C(O)C(=O)C=C(Nc2ccccc2C)C1=O 100393197 HEGVBGIUTZLQKB-UHFFFAOYSA-N 383.532 6.176 30 40 GKEB biogenic,in-vitro O=[N+]([O-])c1cccc(-c2ccc(/C=N/c3c(-c4ccco4)nc4ccccn34)o2)c1 408721338 PGTAZZSCKZOQNV-OEAKJJBVSA-N 398.378 5.513 30 40 GKEB Cc1cc2c(cc1C)CN(c1ccc(C(=O)/C=C/c3ccccc3Cl)cc1)C2 408729670 BWNWNERMXKWPDS-FMIVXFBMSA-N 387.910 6.373 30 40 GKEB C1=C[C@@H]2c3ccccc3N[C@H](c3ccc(/N=C/c4ccc5c(c4)OCO5)cc3)[C@@H]2C1 408938417 QJNJCZMFDYLSAR-KRRSVRAPSA-N 394.474 5.992 30 40 GKEB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\Nc2ccc(C(F)(F)F)cn2)o1 409100846 WWSJJQYBUCARBW-RMORIDSASA-N 390.321 5.023 30 40 GKEB C=CCOc1ccc(Br)cc1/C=C1\C(=O)N(CCC)c2ccccc21 409113887 GELHESGMWBSVNA-JXAWBTAJSA-N 398.300 5.311 30 40 GKEB CCN1C(=O)/C(=C\c2cc(C)n(C(C)C)c2C)S/C1=N/c1ccc(F)cc1 409242017 TYAIYFZPCBLGFM-JUAGQRJUSA-N 385.508 5.449 30 40 GKEB O=C1C(Br)=Cc2ccccc2C1=C(c1ccccc1)c1ccccc1 1782858 CNUKXRLSVRRVOE-UHFFFAOYSA-N 387.276 5.964 30 40 GKEB C[C@@H]1CN(C(=O)Nc2cccc(C(F)(F)F)c2)/C(=N/c2ccccc2)S1 2229775 FIKRXINMHBWHLJ-CFXPEFFESA-N 379.407 5.362 30 40 GKEB C(=N/c1ccc2ccccc2c1)\c1ccc(Sc2nc3ccccc3s2)o1 3081925 JDILGGMUZPOVJY-OEAKJJBVSA-N 386.501 6.944 30 40 GKEB O=C1C=CC2=N[C@]34CCCC[C@@H]3[C@H](c3ccccc3)C=C(c3ccccc3)N4C2=C1 4024537 LHJUMCYFYYQTPP-OBTVHEKISA-N 392.502 5.491 30 40 GKEB biogenic COc1ccccc1C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1 4079359 GEKAKMYIWRBDKR-WUKNDPDISA-N 380.447 5.444 30 40 GKEB Cc1ccc(C(=O)/C=C/c2ccc3c(c2)OCCO3)c(OCc2ccccc2)c1 4158407 HWMFXSRADMHKBD-DHZHZOJOSA-N 386.447 5.241 30 40 GKEB COc1cccc(Oc2ccc(N/C=C/C(=O)c3ccc(Cl)cc3)cc2)c1 4600103 XHAZHIYSJIKVDA-BUHFOSPRSA-N 379.843 5.949 30 40 GKEB O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1ccco1)Nc1ccccc1N2 4973550 JIXXSAROIHSYJS-NPMXOYFQSA-N 390.870 5.913 30 40 GKEB COc1cc(/C=N/c2cc(C)ccc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 8368076 XWGIXKMCJNKYOO-ZVHZXABRSA-N 390.439 5.550 30 40 GKEB O=C(C[n+]1ccccc1-c1nc(-c2ccccc2)cs1)c1ccc(Cl)cc1 8844855 NWNCHPMKBGKCRZ-UHFFFAOYSA-N 391.903 5.301 30 40 GKEB Cc1ccc(C23C[C@@H]4C[C@@H](CC(C/N=C/c5ccc([N+](=O)[O-])cc5)(C4)C2)C3)cc1 15357010 IQPOULBKFWKOFY-WFWWJLPOSA-N 388.511 5.860 30 40 GKEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc2c(c1)-c1ccccc1C2 27760184 SDPDDKKQEXXRRA-UHFFFAOYSA-N 379.419 5.074 30 40 GKEB Cc1ccc2nc(SCC(=O)Nc3ccc(C(C)C)cc3)c(C#N)cc2c1 35291653 CPRDJFXWARHRAU-UHFFFAOYSA-N 375.497 5.269 30 40 GKEB C[C@H](C#N)OC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(F)cc1)CCC2 97656626 VLJTYITVMGWZEF-WIZMWCRPSA-N 386.426 5.320 30 40 GKEB CCCCCCCCCCCCCC(=O)Nc1nc(-c2ccccc2)cs1 100579760 QGCUGMZEFJUJIY-UHFFFAOYSA-N 386.605 7.450 30 40 GKEB CCCCCCCCCCCCCCCCCC[n+]1ccc2ccccc2c1 104369607 IRSUOJNWKKUGRS-UHFFFAOYSA-N 382.656 8.389 30 40 GKEB C=CCN(c1cccc(Cl)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 224929064 MFYHPMFBIQAYGQ-UHFFFAOYSA-N 376.692 5.028 30 40 GKEB CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1C#N 225764173 NCPDHRPVTJYTPN-UHFFFAOYSA-N 382.891 5.451 30 40 GKEB Cc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)c(C)n1C1CCCC1 408776810 ZLTKVZITWGJXPE-UNOMPAQXSA-N 399.947 5.765 30 40 GKEB COc1ccccc1NC(=O)COc1ccc(/C=N\c2ccc(C)c(C)c2)cc1 408819238 YRFCXNISWKGPNK-MYYYXRDXSA-N 388.467 5.080 30 40 GKEB Clc1ccc(/N=C\c2cccn2-c2ccc(Br)cc2)cc1Cl 408851056 VJHSLTBTSMZILK-NHDPSOOVSA-N 394.099 6.297 30 40 GKEB O=C1/C(=C\c2ccc(F)cc2)S/C(=N\c2ccccc2)N1Cc1ccccc1 408908326 RLTRORTVWGNWME-DBSKITMISA-N 388.467 5.630 30 40 GKEB CN(C)c1ccc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)o1 408918037 FJSUBKMDRZOVIH-WGOQTCKBSA-N 381.435 5.895 30 40 GKEB Fc1cc(F)c(Oc2c(F)cc(C(F)(F)F)cc2F)cc1Br 1504250358 IERVMWICLHIRAL-UHFFFAOYSA-N 389.064 5.817 30 40 GKEB CCOc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(C)C2=O)cc1C 4660119 SJYGYHRMWVBVQW-CFDZAGTRSA-N 386.904 5.281 30 40 GKEB COc1cc(/C(C)=N/N(Cc2ccccc2)c2ccccc2)cc(OC)c1OC 4926278 PQTAYODWVQOUON-XIEYBQDHSA-N 390.483 5.143 30 40 GKEB N#Cc1ccsc1NC(=O)CCSc1nc2cc(Cl)ccc2s1 12791860 XUUZWUBPOBQWIX-UHFFFAOYSA-N 379.919 5.004 30 40 GKEB N=C(Nc1ccccc1)SCCCCCCS/C(N)=N\c1ccccc1 17290146 DMDJZHDAMJOOKQ-UHFFFAOYSA-N 386.590 5.706 30 40 GKEB C=C1[C@@H](C(=O)Nc2ccc3ccccc3c2)[C@H]1C(=O)Nc1ccc2ccccc2c1 17918169 FWDGYDQSLQDGLW-PSWAGMNNSA-N 392.458 5.372 30 40 GKEB Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=S)Nc2ccccc2)c1C 28217523 PSMCKPFTILTOQD-OEAKJJBVSA-N 376.529 5.031 30 40 GKEB N#Cc1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc1 214887182 MAVHUNXLOAKDGY-LZYBPNLTSA-N 389.263 5.102 30 40 GKEB C=CCOc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 408578997 YABWAQSQWGSCLL-UHFFFAOYSA-N 398.506 5.062 30 40 GKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N\c3ccccc3Cl)c2C)c1 408963859 AMRJBOQSTZORBW-OYKKKHCWSA-N 380.875 5.675 30 40 GKEB Cc1c(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c2ccccc2n1C 409086330 QIICLSNEXSVDLU-HEOQCTJZSA-N 389.568 6.322 30 40 GKEB O=[N+]([O-])c1cc(Br)c(O)c(/C=N/c2ccc(-c3ccccc3)cc2)c1 409100460 NPRSDEVWXVHSCG-CIAFOILYSA-N 397.228 5.481 30 40 GKEB Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/c3cc(Cl)ccc3C)cc2)cc1 409208696 CESMOSUDUGVZSR-OEAKJJBVSA-N 399.899 5.475 30 40 GKEB CCOC(=O)c1sc(=S)n(Cc2ccccc2)c1N=C(SC)SC 1775968699 LLXIAOPXCSXKMT-UHFFFAOYSA-N 398.600 5.218 30 40 GKEB CC(C)c1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccccc2)cc1 1438431 JLXLNEWDOQBMDW-NRFANRHFSA-N 387.435 5.186 30 40 GKEB Cc1cc(/C=N/N=c2/[nH]c3ccccc3s2)c(C)n1-c1ccc2ccccc2c1 2589423 JUWLDYRIVQTTBW-MFKUBSTISA-N 396.519 5.725 30 40 GKEB N#C/C(=N/Nc1ccc(Cl)cc1)c1nc(-c2ccc3ccccc3c2)cs1 5023068 JQPDAHMANGTIME-XHPQRKPJSA-N 388.883 5.956 30 40 GKEB Cc1ccccc1N/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1 5571316 NAHYTSQIFBGCMH-NHFJDJAPSA-N 377.491 6.911 30 40 GKEB CC(C)=CCOc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 5789414 DCSBDZCBGZDFNZ-XYGWBWBKSA-N 382.459 6.315 30 40 GKEB biogenic CC1(C)C[C@H]2C[C@](C)(CN2CC#CC[C@](O)(c2ccccc2)C2CCCC2)C1 13764891 HTAKNOHRSLCONI-RNXOBYDBSA-N 379.588 5.359 30 40 GKEB CCCCCCCCOC(=O)c1ccc(C(=O)OCCCCCCCC)cc1 95851713 OEIWPNWSDYFMIL-UHFFFAOYSA-N 390.564 6.721 30 40 GKEB CCCCCCCCCCCCCCOc1ccc(C(=O)CC(=O)OC)cc1 100310533 BDIBDCGUTVPOSC-UHFFFAOYSA-N 390.564 6.512 30 40 GKEB Oc1c(Cl)cc(Cl)cc1/C=N\c1cccc2c(-c3ccccc3)ccnc12 104212331 ZLLMKXDQRLPXBW-ZMFRSBBQSA-N 393.273 6.665 30 40 GKEB C=CCN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(SC)cc1 224991282 NFENXHFXKUJSDC-UHFFFAOYSA-N 388.341 5.097 30 40 GKEB O=[N+]([O-])c1cccc(CO/N=C/c2ccc(OCc3ccccc3Cl)cc2)c1 408595941 XYEKJPJNTAJOKW-YDZHTSKRSA-N 396.830 5.378 30 40 GKEB COc1ccc(OC)c(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)c1 408737703 VNDDZTDVODRIFS-KOEQRZSOSA-N 383.451 5.307 30 40 GKEB CCOc1cc(/C=C2/C(=O)ON=C2C)cc(Cl)c1OCc1cc(C)cc(C)c1 408941906 QBHMJMRBAXHTAO-GIJQJNRQSA-N 399.874 5.251 30 40 GKEB Cc1cc(C)c(COc2ccc(-c3c4c([nH]c(=N)c3C#N)CCCC4)cc2)c(C)c1 408979532 MQDLJXZRBZJXIA-UHFFFAOYSA-N 397.522 5.416 30 40 GKEB CCCCc1ccc(-n2c(C)cc(/C=N/Nc3ncccc3[N+](=O)[O-])c2C)cc1 409105674 LOQJPROZHYALFA-BUVRLJJBSA-N 391.475 5.186 30 40 GKEB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](/N=C\c3ccccc3)CC[C@H]12 2038406283 PSKHDAPOVCIOJR-UWPUXESOSA-N 379.588 5.878 30 40 GKEB COc1cc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)ccc1O 796455 FXBPFRDRRMKPKU-HSZRJFAPSA-N 392.499 5.240 30 40 GKEB Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 815760 GXATZACNKRJXHB-OSPHWJPCSA-N 386.520 6.036 30 40 GKEB Cc1cc(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)ccc1C(C)C 947407 LNCAZUTXJIMXBU-CQSZACIVSA-N 382.529 5.194 30 40 GKEB CC(C)(C)c1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 2741353 YFSCPENUVKXPHG-KRWDZBQOSA-N 394.584 6.321 30 40 GKEB Cc1ccc2oc(-c3cc(/N=C/C=C/c4cccc([N+](=O)[O-])c4)ccc3O)nc2c1 3025687 GORSNQCVIVWHSU-KMNHIJHVSA-N 399.406 5.833 30 40 GKEB O=C(/C=C/c1ccc(-c2cccc(Br)c2)o1)c1ccc(Cl)cc1 4853536 HHHJPZWRCWQHBY-CSKARUKUSA-N 387.660 6.259 30 40 GKEB COc1ccc(OC)c(/N=C/c2cc(Cc3ccccc3Cl)ccc2O)c1 6793377 BWJWUWUEXJXORD-ZVHZXABRSA-N 381.859 5.404 30 40 GKEB Cn1c(N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)nc2ccccc21 7343322 MTMRFWVVFXMUBF-ZVHZXABRSA-N 390.874 5.252 30 40 GKEB Cc1ccc(C)c(/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)c1 8368196 UXELTMNXAKWRED-DHRITJCHSA-N 384.306 6.940 30 40 GKEB Cc1ccccc1/N=C/c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 8570849 ZCNXLNYOARSIQV-YDZHTSKRSA-N 380.831 5.886 30 40 GKEB CSc1nc(NCc2ccc(Cl)cc2)c(C#N)c(-c2ccc(C)cc2)n1 19820679 ZPVYBYLEGOKSJR-UHFFFAOYSA-N 380.904 5.311 30 40 GKEB N#CCSc1ncc(-c2ccccc2)n1-c1ccc(OC(F)(F)F)cc1 44087896 OPNXHKAHAHALFB-UHFFFAOYSA-N 375.375 5.054 30 40 GKEB CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N\c1ccccc1C 96602643 ZTBAQOPJSHMFJX-QHQVFXOCSA-N 395.553 5.379 30 40 GKEB CCCCCCCCCCCCCCCCCCCC(=O)CO[C@H](O)CO 100503512 GIISRQIHTLIGDA-QHCPKHFHSA-N 386.617 5.925 30 40 GKEB Cc1sc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)c(C#N)c1C 408629362 YYCUHHBCQJEFQB-UHFFFAOYSA-N 391.279 6.056 30 40 GKEB CCN(CC)c1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)o1 409090007 NZRAZFLNLSEQCK-BGHCKBSUSA-N 383.561 5.961 30 40 GKEB O=[N+]([O-])c1ccc(O)c(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)c1 409092604 VQFDSOQSKNRZCX-ZMOGYAJESA-N 392.455 5.224 30 40 GKEB Cn1cc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)c2ccccc21 409386575 NABAYXWXZPLAIE-DHRITJCHSA-N 381.391 5.914 30 40 GKEB Brc1ccc(-n2cccc2/C=N/c2ccc3ncccc3c2)cc1 1101703 BZEFDLNOGKMNTD-OEAKJJBVSA-N 376.257 5.539 30 40 GKEB Cc1ccc(-c2ccc(/C=C3\S/C(=N/c4ccccc4)NC3=O)o2)cc1Cl 5006217 XMPANPHWZPLDDJ-UNOMPAQXSA-N 394.883 5.800 30 40 GKEB CCCCCCOc1ccc(/C=C/C(=O)c2ccc(CCCCCC)cc2)cc1 5418509 STKWQWQDRMVBCF-LTGZKZEYSA-N 392.583 7.665 30 40 GKEB CC(=O)[C@]12CCCC[C@@H]1C[C@H]1[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 36038291 OAICPORQJIVREU-IFUNJEQSSA-N 382.588 6.140 30 40 GKEB biogenic Oc1c(/C=N\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc2ccccc12 100248464 BRGARIVRCKWJIS-KALUYTGESA-N 383.291 6.334 30 40 GKEB CCOc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc1Cl 408531736 QHVAEPKVJPGJBX-YBEGLDIGSA-N 393.295 5.284 30 40 GKEB Cc1cc(/C=N/Nc2nc3ccccc3[nH]2)c(C)n1-c1cc(Cl)ccc1Cl 408592598 ZPVKMTYJWWSKQH-FOKLQQMPSA-N 398.297 5.723 30 40 GKEB CCCOc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 408629068 KWVWGNSNURBNTK-MRXNPFEDSA-N 396.556 5.812 30 40 GKEB CCCCCCCCCCCC(=O)Nc1cccc(N2C(=O)CCCC2=O)c1 408668224 CXNVQDMYMTYVID-UHFFFAOYSA-N 386.536 5.590 30 40 GKEB N#Cc1ccccc1COc1ccc(/C=N/Nc2ccc3ccccc3n2)cc1 408741097 KDIKGSLJOJIUML-WGOQTCKBSA-N 378.435 5.131 30 40 GKEB COc1ccc2[nH]c(-c3ccccc3)c(/C=N\c3ccc(NC(C)=O)cc3)c2c1 408774592 CIHCCXPHFNIPDE-MYYYXRDXSA-N 383.451 5.553 30 40 GKEB CC[C@@H](C)N1C(=O)/C(=C\c2ccc(C(=O)O)cc2)S/C1=N\c1ccc(C)cc1 408916072 ULCNMHJGGIMOKU-BMTLBDRPSA-N 394.496 5.096 30 40 GKEB CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccc(C(=O)OC)cc2C)c1C 408962190 XBLQQPBFZHYDON-CVKSISIWSA-N 388.511 5.811 30 40 GKEB Cc1ccccc1N=C1NC(=O)/C(=C/c2ccc(Sc3ccccn3)o2)S1 408993876 XRPFVTSBCSMBPD-VBKFSLOCSA-N 393.493 5.026 30 40 GKEB Cc1ccc(Cl)cc1/N=C/c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O 409085273 RWQHMPVTAGMRAU-VULFUBBASA-N 379.931 6.572 30 40 GKEB N#CCOc1ccc([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@@H]32)cc1 409153721 MIJHOFIDMUWGSD-GJYPPUQNSA-N 381.273 5.178 30 40 GKEB Cc1cccc(/N=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)c1C 409217170 SVQDQLOMYWEGPE-DHRITJCHSA-N 384.306 6.940 30 40 GKEB CCc1ccccc1NC(=O)CSc1nc2cc(C)cc(C)c2cc1C#N 1354367 VCYAWNFKIVURBN-UHFFFAOYSA-N 375.497 5.017 30 40 GKEB COc1ccccc1N(CCC#N)C(=O)CSc1cc(Cl)ccc1Cl 2626103 YUHLJBYVMVIBRQ-UHFFFAOYSA-N 395.311 5.041 30 40 GKEB C=CC[n+]1c(-c2ccc(Cl)cc2Cl)csc1Nc1ccc(Cl)cc1 2676728 NLADNSXHNMYUPY-UHFFFAOYSA-O 396.750 6.592 30 40 GKEB CCOc1ccccc1C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 2739877 YXOSRQYQBUNCIU-AWEZNQCLSA-N 382.529 5.422 30 40 GKEB C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CN(C)C 4044543 WCLKYLGRZRHNEF-VSYWRSJOSA-N 387.564 5.226 30 40 GKEB biogenic Oc1ccc2ccccc2c1/C=N/c1cccc(-c2nc3ccccc3s2)c1 4599204 DLSDVBDTSXOKCK-MFKUBSTISA-N 380.472 6.573 30 40 GKEB N#Cc1ccccc1COc1ccc(/C=N/Nc2nc3ccccc3s2)cc1 6222392 DKQPDBWDRIWDAL-ZVHZXABRSA-N 384.464 5.193 30 40 GKEB COc1c(Br)cc(/C=N/c2ccc(C)cc2)cc1Br 8371744 OBUQDENJEIUKRS-GIJQJNRQSA-N 383.083 5.279 30 40 GKEB N#CCSc1ccccc1C(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 27381489 OKLXCXVJCANLOC-UHFFFAOYSA-N 382.872 5.146 30 40 GKEB Cc1ccc(O)c(/C=N/c2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)c1 32114822 KUJYMRMZWHYRID-KIBLKLHPSA-N 398.796 6.191 30 40 GKEB CCCCOc1ccc(C(=O)/C=C/Nc2ccc(N(CC)CC)cc2C)cc1 44842993 GQZSMMLUJKWMKN-FOCLMDBBSA-N 380.532 5.829 30 40 GKEB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 71810549 FVUNBNGPEMZTBW-CYBMUJFWSA-N 399.397 5.595 30 40 GKEB CCCCCCCCCCCCCCOC(=O)[C@H](N)[C@H](O)c1ccccc1 100550843 OIVGXPSRTPKUPQ-FGZHOGPDSA-N 377.569 5.292 30 40 GKEB CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccc(OC)c(Cl)c2)c1C 141620325 DFFJCPIYSDODNS-AFUMVMLFSA-N 380.919 6.378 30 40 GKEB CC(C)N1c2ccc(/C=N\Nc3ccc(C(=O)O)cc3)cc2[C@@H](C)CC1(C)C 223547753 RHOZIQGYULTGMN-SGMWPGOQSA-N 379.504 5.331 30 40 GKEB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)c(C#N)c1 225683838 PZWQJGLQMXHWIB-INIZCTEOSA-N 380.463 5.325 30 40 GKEB O=C1/C(=C/c2ccc(Sc3ccccn3)c([N+](=O)[O-])c2)Sc2ccccc21 408990760 LTMQOFVXSHFLTC-PDGQHHTCSA-N 392.461 5.471 30 40 GKEB COc1ccccc1/C=C/C=C(\C(=O)c1ccccc1)c1nc2ccccc2o1 1802933 ODQJZEPSVPREGJ-TXRZGVEQSA-N 381.431 5.816 30 40 GKEB Cc1cc(Oc2cc(C#N)c(C#N)cc2-n2nnc3ccccc32)cc(C)c1Cl 2762287 LTLZFDBFWLUPGU-UHFFFAOYSA-N 399.841 5.226 30 40 GKEB Cc1ccc(-c2nc3sccn3c2/C=N/OCc2c(F)cccc2Cl)cc1 4003177 AYULTHADSBBCGS-FOKLQQMPSA-N 399.878 5.714 30 40 GKEB Cc1cc(C)nc(N/N=C/c2cccc3cccc(OCc4ccccc4)c23)n1 4342390 ODBAHLDXTQVMSG-MFKUBSTISA-N 382.467 5.272 30 40 GKEB CCc1ccc(/C=N/c2cccc3c(/N=C/c4ccc(CC)cc4)cccc23)cc1 4703554 LBGWRDGYROGLCM-CZYCKNNWSA-N 390.530 7.466 30 40 GKEB Cc1sc(NC(=O)c2ccc(C#N)cc2)c(-c2nc3ccccc3s2)c1C 5255659 GFTFCXWAVBROIK-UHFFFAOYSA-N 389.505 5.766 30 40 GKEB FC(F)(F)c1cccc(-c2ccc(/C=N\Nc3nc4ccccc4s3)o2)c1 5705093 VLIBQVOSMRGKBJ-KSEXSDGBSA-N 387.386 6.021 30 40 GKEB CC(C)(C)c1cc(-c2cs/c(=N\N=C\c3ccco3)[nH]2)cc(C(C)(C)C)c1O 6693018 OQCDQEYPAYIKFU-FSJBWODESA-N 397.544 5.572 30 40 GKEB CCCCCCCCCCOc1ccc(NC(=O)N2CCCC[C@H]2CC)cc1 8427389 SGODZTPFTSTQAC-JOCHJYFZSA-N 388.596 7.003 30 40 GKEB Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/NCc2ccc(Cl)cc2)c1C 10118959 FWSWBHZFYLQLBT-DHRITJCHSA-N 386.326 5.833 30 40 GKEB Cc1ccccc1-n1cnnc1SCc1ccc(-c2ccccc2C#N)cc1 12517424 CXBZTYXAHOEHOB-UHFFFAOYSA-N 382.492 5.407 30 40 GKEB Cc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc(C#N)cc4F)c3)nc2c1 20808391 RIDXCLSRDGPUKQ-UHFFFAOYSA-N 385.398 5.375 30 40 GKEB Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2c(C)[nH]c3ccccc23)S1 59224238 GAPIYPNZSIOHQO-ZDLGFXPLSA-N 381.888 5.330 30 40 GKEB CCCCCCCCCCCCCCCCCCCC[N+](CC)(CC)CC 72399782 RRAXOICGZBIICE-UHFFFAOYSA-N 382.741 8.905 30 40 GKEB in-vitro N#Cc1c(-c2ccc(OCc3ccc(F)cc3)cc2)c(-c2ccccc2)c[nH]c1=N 408977367 DAOGBVGCUYUKKI-UHFFFAOYSA-N 395.437 5.418 30 40 GKEB N#Cc1ccc(Cn2cc(C=C3C(=O)c4ccccc4C3=O)c3ccccc32)cc1 409123326 FPUXEKGHNTWDHF-UHFFFAOYSA-N 388.426 5.024 30 40 GKEB CN(C)c1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1 1083717 IEEHXXVKVCFQMS-UHFFFAOYSA-N 393.527 5.153 30 40 GKEB N#C[C@]12CCCC[C@@H]1C(c1ccccc1)[C@H]1CCCC[C@@]1(C#N)N2c1ccccc1 4729009 KTRYHAULWNUHQF-AGNXMIIJSA-N 395.550 6.196 30 40 GKEB O=C1N/C(=N/c2ccc(Cl)cc2)S/C1=C\c1ccc(Cl)cc1Cl 5551098 NVRDHNUSBWYSJJ-AUWJEWJLSA-N 383.687 5.538 30 40 GKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc(C(F)(F)F)cc3)c2C#N)C1 6323037 AGOZKLKIHFQHMS-ZXGJNYTGSA-N 390.474 6.540 30 40 GKEB CCOc1cc(/C=N/c2ccc(CC)cc2)cc(Cl)c1OCc1ccccc1 8084402 ZHHXSTNZVIBBLT-WGOQTCKBSA-N 393.914 6.631 30 40 GKEB Clc1ccc(CN/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc1 10118892 IWJXHZSZJAVZSA-AFUMVMLFSA-N 385.294 5.696 30 40 GKEB C=CCn1c(SCc2cccc(Cl)c2)nnc1[C@@H](C)Oc1ccccc1 13850338 UBPWBFRJAKWHQK-OAHLLOKOSA-N 385.920 5.550 30 40 GKEB C=CCn1c(Cc2ccc(OC)cc2)nnc1SCc1cccc(Cl)c1 14091789 UHJGTIIVHIFTTL-UHFFFAOYSA-N 385.920 5.009 30 40 GKEB CCCCC[C@@H](/C=N/N=C1c2ccccc2-c2ccccc21)Cc1ccccc1 16920994 GMIJPKCLNGTASU-ORSBSLGDSA-N 380.535 6.929 30 40 GKEB Cc1ccc(-n2nc(C)c3c2NC2=C(C(=O)CCC2)[C@@H]3c2sccc2C)cc1 18196666 XPNOICFTJWRGGX-OAQYLSRUSA-N 389.524 5.424 30 40 GKEB C=CCOc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 59474879 OTUQRIUNIHUOKH-PTGBLXJZSA-N 380.447 5.086 30 40 GKEB CCc1ccc(/N=C/c2ccc(OCc3cccc(C(=O)O)c3)c(OC)c2)cc1 59678297 JKPWGIUNGNSCDV-MFKUBSTISA-N 389.451 5.285 30 40 GKEB CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCC 85564085 IYDRZGXWJPJSNY-UHFFFAOYSA-N 396.700 9.152 30 40 GKEB biogenic,in-vitro CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(C(C)=O)cc3)c2C)cc1 100212131 AZFUMFXLRXXHKQ-MFKUBSTISA-N 388.467 5.224 30 40 GKEB COc1cccc(Oc2ccc(/N=C/c3cc(OC)c(OC)cc3C)cc2)c1 408548001 BQHNOWSBXVKSSJ-BUVRLJJBSA-N 377.440 5.564 30 40 GKEB Fc1cc(/C=N/c2ccc(Oc3ccccc3Cl)cc2)ccc1N1CCCC1 409064029 FVHADYJSQZUYHM-WGOQTCKBSA-N 394.877 6.622 30 40 GKEB COc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2CC(C)(C)CC3=O)cc1 822851 CJMUZMUSCIZZDD-RUZDIDTESA-N 383.491 6.158 30 40 GKEB Clc1ccccc1-c1ccc(/C=N/c2ccc3oc(-c4ccccc4)nc3c2)o1 3001695 KTLRWMZJHZQKNS-CVKSISIWSA-N 398.849 7.159 30 40 GKEB CC(C)(C)c1ccc(-c2nc3cc(/N=C/c4ccccc4Cl)ccc3o2)cc1 3184672 OQYFCPPGRWERPO-CVKSISIWSA-N 388.898 7.196 30 40 GKEB N#Cc1ccc(C23CC4CC(CC(C4)C2)C3)nc1SCc1ccccc1Cl 4734446 IRGQCUIMMRLXSB-UHFFFAOYSA-N 394.971 6.367 30 40 GKEB COc1ccc2c(c1)c(/C=C/C(=O)c1ccc(Br)cc1)c(C)n2C 4869747 ZGVMQGHJNUECDU-PKNBQFBNSA-N 384.273 5.154 30 40 GKEB FC(F)(F)c1ccc(Cl)c(N/N=C/c2ccc(Br)cc2)c1 4922472 YDDCDLCGKGHJCK-DNTJNYDQSA-N 377.591 5.567 30 40 GKEB CC/N=c1\scc(-c2cccc([N+](=O)[O-])c2)n1/N=C1/C[C@@H](C)CC(C)(C)C1 6392725 DYSXOYGMZNVMRL-AALILYSCSA-N 386.521 5.096 30 40 GKEB Cc1csc(N/N=C/c2ccc(OCc3c(Cl)cccc3Cl)cc2)n1 11992525 APXHMSSWZFOCAS-ZVBGSRNCSA-N 392.311 5.783 30 40 GKEB C=CCn1c(SCc2cccnc2)nc2scc(-c3cccs3)c2c1=O 12539243 BVFCWNZRBVOMQB-UHFFFAOYSA-N 397.550 5.060 30 40 GKEB C=CCOc1ccccc1/C=C1/SC(=S)N(c2cc(C)ccc2C)C1=O 35039160 KFGLRNNWCPPXPY-CPNJWEJPSA-N 381.522 5.274 30 40 GKEB Oc1ccccc1/C=N/c1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1 96562001 SIZOZPLKSUFMNB-FOKLQQMPSA-N 383.234 6.258 30 40 GKEB COc1cc(/C=C/c2ccc(C#N)cc2)c(OC)cc1/C=C/c1ccc(C#N)cc1 169479606 KRFWSPZZHVITQS-PHEQNACWSA-N 392.458 5.788 30 40 GKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2ccc(N3CCCC3)cc2)S1 408960481 MBGFCCGMEHLDSD-UYRXBGFRSA-N 397.931 5.140 30 40 GKEB CCN1C(=O)/C(=C/c2ccc(N3CCCC3)c(F)c2)SC1=Nc1ccccc1 409073488 ZIQWMLAGWZQCBA-OIBHPTRJSA-N 395.503 5.050 30 40 GKEB O=C(/C=C/Nc1ccc(Nc2ccccc2)cc1)c1ccc(Cl)cc1Cl 409178397 HHGXOZNIKBBCIW-OUKQBFOZSA-N 383.278 6.546 30 40 GKEB Cc1ccc(OCCCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c(C)c1 1914033 ADKFGXMZPJUGST-HNNXBMFYSA-N 382.529 5.159 30 40 GKEB Cc1ccc(C(=O)/C=C/Sc2c(Cl)c(Cl)nc(Cl)c2Cl)cc1 2556113 VJANAEOFJRSBFZ-VOTSOKGWSA-N 393.122 6.492 30 40 GKEB COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccco2)c1 4973602 BOFLPTBJGFKEOZ-GYCJOSAFSA-N 386.451 5.268 30 40 GKEB CCOc1ccc(/C=N/Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 5475422 OTZUCYGRLMEVFN-KOEQRZSOSA-N 399.519 6.322 30 40 GKEB COc1ccc(/C=N/Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 5526857 NXNDNMQNFJDZLR-LFVJCYFKSA-N 385.492 5.932 30 40 GKEB Cc1ccsc1[C@H]1C2=C(C[C@@H](c3cccs3)CC2=O)Nc2[nH]nc(C)c21 18200082 VAZIIDINXXEBRI-KZULUSFZSA-N 381.526 5.108 30 40 GKEB COc1ccc(/C=C/C(=O)c2c(OC)cc(OC)c(CC=C(C)C)c2OC)cc1 31166160 GGNVSANPVOEGII-GXDHUFHOSA-N 396.483 5.126 30 40 GKEB biogenic,in-vitro Cc1ccc(S(=O)(=O)Oc2cccc(/C=N\c3ccc(C)c(C)c3)c2)cc1 409203956 ZYKQXTUVKLARCJ-HAHDFKILSA-N 379.481 5.130 30 40 GKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cc(-c4ccco4)on3)c2C#N)C1 4881124 GACVMHWCVVIXCG-LBPRGKRZSA-N 395.484 5.271 30 40 GKEB N#Cc1ccccc1OCCCCCCCCCCOc1ccccc1C#N 5179890 YLYVJTRBQSMRDI-UHFFFAOYSA-N 376.500 6.009 30 40 GKEB Cc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@H]43)cc2)cc1 5337318 KTKRNQZINZVBHA-ZMOSYRSNSA-N 378.519 6.881 30 40 GKEB CSc1nc(Nc2ccc(F)c(Cl)c2)c(C#N)c(-c2ccc(C)cc2)n1 5607393 JDWFPYSPAPGBNL-UHFFFAOYSA-N 384.867 5.582 30 40 GKEB N#Cc1cccc(C(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)c1 6208581 RZFMONJYONAJRO-FQEVSTJZSA-N 399.881 5.255 30 40 GKEB Cc1ccccc1/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 6217911 USDZPTKKWSFDKN-FYJGNVAPSA-N 377.356 5.354 30 40 GKEB Clc1ccc2c(N/N=C/c3cccc(OCc4ccccc4)c3)ccnc2c1 6346265 UVFRVPCSSMOBDN-CVKSISIWSA-N 387.870 5.913 30 40 GKEB N#Cc1cccc(/C=C(\Cl)c2nc3scc(-c4cccs4)c3c(=O)[nH]2)c1 14179061 WOHCDLNCNMFNQV-ZSOIEALJSA-N 395.896 5.322 30 40 GKEB O=C(O/C(=N\c1ccccc1)N(c1ccccc1)c1ccccc1)c1ccccc1 16943499 LTKXZLTWJGMZOJ-RQZHXJHFSA-N 392.458 6.369 30 40 GKEB Cc1cccc2c1Oc1nn(-c3ccccc3)c(/N=C/c3cccc(F)c3)c1C2 20849534 SSZPQPQJXYXNPG-CVKSISIWSA-N 383.426 5.767 30 40 GKEB C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3cccc4ccccc34)c12 23983227 QLDIVQNBEOIMID-FOCLMDBBSA-N 391.474 5.833 30 40 GKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3cccc4cccnc34)c2C)cc1 100212038 GJRGVADNFFXQRU-JVWAILMASA-N 397.478 5.570 30 40 GKEB CCOC(=O)c1c(N/C=C2\Sc3ccccc3C2=O)sc2c1CCCCC2 100981980 DRCKHGWUXLNEPJ-ATVHPVEESA-N 399.537 5.436 30 40 GKEB CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N/[C@H](C)c1ccccc1 102595550 TYPIRWPDHIWOCD-AIAITTCESA-N 395.553 5.110 30 40 GKEB N#Cc1c(NC(=O)Nc2ccc(F)cc2F)sc(=S)c2c1CCCC2 104206175 USQMMWRDKFEXQG-UHFFFAOYSA-N 377.441 5.150 30 40 GKEB Cc1cc(/C=C/C(=O)c2ccccc2)c(C)n1-c1cccc(Br)c1 408626087 ZRBJYDMFLMYWTL-VAWYXSNFSA-N 380.285 5.753 30 40 GKEB Cc1cc(N2CCCC2)ccc1/C=C1\SC(=Nc2cccc(C)c2C)NC1=O 408959589 BMXXVCKHECEVLR-STZFKDTASA-N 391.540 5.104 30 40 GKEB N#Cc1c(/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)sc2c1CCCC2 797369 QDCVVGZROSDQAK-WSDLNYQXSA-N 377.425 5.417 30 40 GKEB CCCc1nc2c(c3[nH]c4ccccc4c13)/C(=N/Nc1ccccc1)CC(C)(C)C2 4764840 HJSFCHIARKGBHZ-JBASAIQMSA-N 396.538 6.457 30 40 GKEB biogenic CCCCCCC(=O)C[C@H](SCCS)c1ccc(Cl)c(Cl)c1 5395388 FLVMMGCAVATZJZ-KRWDZBQOSA-N 379.418 6.627 30 40 GKEB Cc1cc(/C=N/c2cc(-c3nc4ccccc4[nH]3)ccc2C)c(O)c([N+](=O)[O-])c1 6622093 AQTOBHBJVIICTL-FSJBWODESA-N 386.411 5.211 30 40 GKEB CCCCCCCCCCCC(=O)Nc1ccc(NC(=O)c2cccnc2)cc1 8445836 YWZFGXZZBJULBI-UHFFFAOYSA-N 395.547 6.193 30 40 GKEB COc1ccc(/C=C2/CC(C(C)(C)C)C/C(=C\c3ccc(OC)cc3)C2=O)cc1 13372410 GTIPXSAFWBZYKD-TVGQLCNQSA-N 390.523 6.196 30 40 GKEB CCCCCCCC/N=C(\N)c1ccc(/C(N)=N/CCCCCCCC)cc1 68562403 KKRKBAFTSHYPRR-UHFFFAOYSA-N 386.628 5.818 30 40 GKEB biogenic Cn1nc(-c2ccccc2)c(/C=N/O)c1Sc1cccc(C(F)(F)F)c1 100271469 KVLFSICXPGEGJZ-SSDVNMTOSA-N 377.391 5.065 30 40 GKEB CCCCCCCCCCCCCC1=NC[C@H](c2ccc3ccccc3c2)O1 104256070 XRBJGOFGCKTRER-RUZDIDTESA-N 379.588 8.011 30 40 GKEB C=CCOC(=O)c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1 226339904 CYXJIWKEEALBSV-UHFFFAOYSA-N 399.643 5.163 30 40 GKEB Cc1ccsc1/C=N\c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 408908419 DVXDKEMLMZDWDK-XKZIYDEJSA-N 380.538 6.000 30 40 GKEB CCCOc1ccc(/C=N\c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 409082551 SUEKNHAMOACPBK-HAWKZNDISA-N 380.557 6.310 30 40 GKEB O=c1oc2ccccc2cc1-c1cccc(/N=C/c2c(O)ccc3ccccc23)c1 2053264 UYXNUKGMKUPRCL-JVWAILMASA-N 391.426 6.069 30 40 GKEB O=C(Nc1ccc(F)c(F)c1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2647627 RWSCMRPVEXLJMO-UHFFFAOYSA-N 387.201 5.394 30 40 GKEB O=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccc(-c3nc4ccccc4o3)cc2)c1O 3184679 SEPPJNXIYUGCBD-SSDVNMTOSA-N 393.786 5.513 30 40 GKEB Cc1c(/N=C/C=C/c2cccc([N+](=O)[O-])c2)cccc1-c1nc2ccccc2o1 5881676 HOBKKRAMDWNYPI-NVMGMXFGSA-N 383.407 6.127 30 40 GKEB CC[C@@H](C)c1ccccc1/N=C/c1cc(Cc2ccccc2Cl)ccc1O 6440242 NXORVGSQDDWVKG-MOROIOLQSA-N 377.915 6.901 30 40 GKEB O=[N+]([O-])c1cccc(/C=N/c2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)c1O 6651530 DONBKRAJNKZWDC-SSDVNMTOSA-N 392.802 5.248 30 40 GKEB Cc1cc(I)cc(/C=N/c2cccc3ccccc23)c1O 6825847 MSEKHYMENYNRMN-RGVLZGJSSA-N 387.220 5.209 30 40 GKEB Oc1ccc2ccccc2c1/C=N\c1nc(C23CC4CC(CC(C4)C2)C3)cs1 17185728 HOGBVHJKILMIRU-MXAYSNPKSA-N 388.536 6.220 30 40 GKEB COc1ccccc1CN/N=C/c1ccc(-c2ccc(C)c(Br)c2)o1 20761884 BWJGCFQIIFLVJD-YDZHTSKRSA-N 399.288 5.150 30 40 GKEB CCCCCCCCOc1ccc(/N=C/c2ccc(C(=O)O)cc2)cc1OC 59663967 HLSTYKPVWHPAFD-JJIBRWJFSA-N 383.488 5.883 30 40 GKEB CCCCCCCCCOc1ccc(-c2ccc(C(=O)CC(C)=O)cc2)cc1 103008870 NVVPOLSXUOSAGU-UHFFFAOYSA-N 380.528 6.645 30 40 GKEB CCCCCCCCSc1nc2ccc(/N=C\c3ccccc3O)cc2s1 104213481 HBBKXEBKTZSHIP-KQWNVCNZSA-N 398.597 7.205 30 40 GKEB COc1ccc(C2(C(=O)Nc3ccc(OCC(C)C)cc3C#N)CCCC2)cc1 225754773 BCVKXXUSLFLGNC-UHFFFAOYSA-N 392.499 5.052 30 40 GKEB O=C1NC(=Nc2ccc(F)cc2)S/C1=C\c1ccc(Sc2ccccc2)o1 408758927 UYCCVSZFCAHODM-ATVHPVEESA-N 396.468 5.462 30 40 GKEB COc1ccc(Br)c2c1-c1nc(/N=C/c3ccc(C)o3)sc1C2 409046117 IULYEPZVPFXQDY-UFWORHAWSA-N 389.274 5.137 30 40 GKEB COc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccccc1 409211800 NCAMSOGGHJTJPF-AFUMVMLFSA-N 379.887 6.295 30 40 GKEB Cc1ccc(S[C@H](C(=O)c2ccccc2)[C@@H](c2ccccc2)C(C#N)C#N)cc1 1445611 UHLJGOQBZSPDSD-ZCYQVOJMSA-N 396.515 5.786 30 40 GKEB Cc1cc(SCc2ccc(Cl)cc2Cl)n2c(nc3ccccc32)c1C#N 2443724 MKVHYUWWYSTIDV-UHFFFAOYSA-N 398.318 6.267 30 40 GKEB O=C(O/N=C(\c1ccccc1)c1cccs1)N(c1ccccc1)c1ccccc1 5004337 ZJNOKVLUHFRMDX-WJTDDFOZSA-N 398.487 6.475 30 40 GKEB O=C1/C(=C\c2ccc(OCc3ccc4ccccc4c3)cc2)Sc2ccccc21 5605128 XNVNAKJXKFJTKY-PCLIKHOPSA-N 394.495 6.748 30 40 GKEB O=C(Nc1ccc(-c2csc(NN=C3CCCCC3)n2)cc1)c1ccccc1 5681483 WPVKQFGCMCGADI-UHFFFAOYSA-N 390.512 5.794 30 40 GKEB CCc1ccc(/N=C2\NC(=O)[C@H](Cc3cccc(Cl)c3Cl)S2)cc1 5809650 GNXWTWCQPJJQKS-HNNXBMFYSA-N 379.312 5.018 30 40 GKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc(-c4ccccc4)o3)c2C#N)C1 6323220 LNAZMHFANGKZOO-AEIQVQRHSA-N 388.536 6.781 30 40 GKEB C[C@@H](Cc1n[nH]c(=S)n1/N=C/c1ccc(C(F)(F)F)cc1)c1ccccc1 8488886 BHAMTIWLWYQQFD-ZXCVBSDHSA-N 390.434 5.188 30 40 GKEB Cc1cc(C)c2oc(-c3cccc(NC(=O)c4ccc(C#N)cc4F)c3C)nc2c1 9190328 OIAOVXGDYLWYHW-UHFFFAOYSA-N 399.425 5.683 30 40 GKEB C=CCN1C(=O)C2=C(CCCC2)[C@H]1c1c(-c2cccc(OC)c2)[nH]c2ccccc12 9668424 CJLXFHYFHJJWOY-VWLOTQADSA-N 398.506 5.783 30 40 GKEB C=CCc1cc(C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)ccc1OC 218657866 UEPLVUCKTFHGGD-LJQANCHMSA-N 392.543 5.151 30 40 GKEB CCc1ccccc1/N=C/c1ccc(OCc2cccc(C(=O)O)c2)c(OC)c1 408854670 AYMRDFGYDUSSEI-MFKUBSTISA-N 389.451 5.285 30 40 GKEB CCCc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)c2ccccc23)cc1 795140 UXVJAUHVSGAZQX-JOCHJYFZSA-N 397.518 5.577 30 40 GKEB CN(CC#C[C@]1(C)CC[C@H]2[C@H](O1)c1ccccc1OC2(C)C)Cc1ccccc1 4027753 VSJACZVSLVSJHV-GGBSJPMNSA-N 389.539 5.219 30 40 GKEB biogenic C/C(=N\Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc(O)cc1 4598899 BIQXVJNXYOMZEJ-UFFVCSGVSA-N 378.284 5.659 30 40 GKEB Cc1ccc(NC(=O)CSc2nc3c(C)c(C)ccc3cc2C#N)cc1C 4849081 GDIWCMFHHHSOBA-UHFFFAOYSA-N 375.497 5.071 30 40 GKEB Cc1ccc(/N=C2\C(=O)N(Cc3cccc4ccccc34)c3ccccc32)cc1 12447515 SKCMVVXKXGNGLZ-RFBIWTDZSA-N 376.459 5.816 30 40 GKEB CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1NCCCC 50860212 QMVURLLIAQQAJQ-UHFFFAOYSA-N 390.575 6.783 30 40 GKEB CCCCc1ccc(/N=C/c2cccn2-c2ccc(Br)cc2)cc1 59250351 UBMHJTHELFSOTR-XQNSMLJCSA-N 381.317 6.333 30 40 GKEB Clc1ccc(-c2sc(N/N=C/c3ccco3)nc2-c2ccccc2)cc1 59475117 PEWONQJBIMXXCP-LPYMAVHISA-N 379.872 6.170 30 40 GKEB Oc1ccc(Cl)cc1/C=N\c1ccccc1/N=C/c1cc(Cl)ccc1O 102311845 CSIRXWCKACJTAW-QEUMEHMPSA-N 385.250 5.906 30 40 GKEB CCOc1ccc(/C=N\c2ccc(/C=C(/C)C(=O)OCCC(C)C)cc2)cc1 104066814 XUALOKRPDKNKGC-JAOQATFESA-N 379.500 5.829 30 40 GKEB C=CCOc1ccc(NC(=S)NCCCSCc2cccc(C)c2)cc1 225604796 XKOQJNAZIXPUHB-UHFFFAOYSA-N 386.586 5.170 30 40 GKEB C=CCn1c(-c2ccc(Br)cc2)csc1=Nc1ccc(C)cc1 252666433 BMHAAUBGOJEXFJ-UHFFFAOYSA-N 385.330 5.706 30 40 GKEB O=C(O)c1ccc(Cn2cc(/C=N/c3cccc(Cl)c3)c3ccccc32)o1 408541287 FRSXMZGOWXTOHZ-FOKLQQMPSA-N 378.815 5.385 30 40 GKEB CC[C@@H](C)Oc1ccccc1/C=C1\SC(=Nc2ccc(C)cc2C)NC1=O 408605287 YGJSHRUFRILTLT-FPXKJXHESA-N 380.513 5.372 30 40 GKEB COc1ccc(/N=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)cc1Cl 408786398 JHSLIODZAJMLFE-WSDLNYQXSA-N 383.835 5.415 30 40 GKEB Cc1ccc(Sc2oc(/C=N\c3ccccc3C)cc2Br)cc1 408913781 NSIOTXGAXQIXON-MTJSOVHGSA-N 386.314 6.561 30 40 GKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc(Br)o3)c2C#N)C1 409078257 HFCBNKVSKWKIJD-OHBSIKEHSA-N 391.334 5.877 30 40 GKEB Cc1ccc(Sc2ccc(/C=N\c3ccc(Br)cc3C)cc2)cc1 409233347 VCSVJQYPKALUAA-UCQKPKSFSA-N 396.353 6.968 30 40 GKEB C=C(C)[C@H]1C[C@H](c2ccccc2)[C@H](CC)O[C@@H]1c1cccc(F)c1OCC(=O)O 2037875198 LIUKICLRUSRZLF-AMEVOLBXSA-N 398.474 5.505 30 40 GKEB Cc1c(Cl)cccc1-n1c(C)cc(C=C2C(=O)c3ccccc3C2=O)c1C 636692 AJFMWZYZWYMWOR-UHFFFAOYSA-N 375.855 5.519 30 40 GKEB CC1=C[C@@]2(C)CCC(=O)C(Cc3c(CCCC4(C)OCCO4)noc3C)=C2CC1 1762057 QDOHAQQOSRZSCH-HSZRJFAPSA-N 399.531 5.017 30 40 GKEB N#Cc1ccc(OC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)cc1 2073048 CIZQGUCLXYFZMG-UHFFFAOYSA-N 384.822 5.646 30 40 GKEB N#CC(Cc1ccccc1F)(Cc1ccccc1F)C(=O)Nc1ccc(F)cc1 3360558 UIJMCOYHTZZLQJ-UHFFFAOYSA-N 394.396 5.038 30 40 GKEB C/C(=N\N(Cc1ccccc1)c1ccccc1)c1ccc(Br)cc1 4924392 KJYZYUNRONUZHZ-HAVVHWLPSA-N 379.301 5.880 30 40 GKEB Cc1ccc([C@@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3nc4ccccc4n32)cc1 7495932 BKZHMKTYFVEVJV-BXKMTCNYSA-N 395.462 5.353 30 40 GKEB COc1ccc(C(=O)/C(=C/c2cccs2)c2nc3ccccc3o2)cc1OC 9482908 LOPBANIOEZXPKB-SSZFMOIBSA-N 391.448 5.330 30 40 GKEB COc1cc2c(cc1OC)/C(=N/c1ccc(Cl)cc1Cl)NC(C)(C)C2 49611763 RNQLILGPQKGORB-UHFFFAOYSA-N 379.287 5.013 30 40 GKEB O=C1/C(=C\c2cccs2)S/C(=N\c2ccccc2)N1CCc1ccccc1 101564829 YCLHWJHRABQPON-SUJVXMJXSA-N 390.533 5.595 30 40 GKEB Cc1ccc(C(C)C)c(O/C(=N\S(=O)(=O)c2ccccc2)c2ccccc2)c1 104921636 RZBULRRXZAHZGH-VHXPQNKSSA-N 393.508 5.333 30 40 GKEB CC(C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)c(C#N)c1 225762992 WVMIKWRCIWRWJU-UHFFFAOYSA-N 380.463 5.325 30 40 GKEB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(O)C#Cc1ccccc1 245239706 LZYLYVQWNIUJNH-MEVSTYLOSA-N 392.583 5.173 30 40 GKEB Clc1ccc(/N=C\c2cc(Br)c(N3CCCC3)o2)cc1Cl 408806566 AAEOVKPXDOKMAP-OCKHKDLRSA-N 388.092 5.700 30 40 GKEB CCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C)cc1)C2=O 3195839 ZYOSTQUKRIEPKF-UHFFFAOYSA-N 393.483 5.313 30 40 GKEB O=C(/C=C/n1cc(C(F)(F)F)cc(Cl)c1=S)c1ccc(Cl)cc1 5513237 FKVHBJDCRRACKU-AATRIKPKSA-N 378.202 5.897 30 40 GKEB CCCOc1ccc(C(=O)/C(=C/c2ccc(C)cc2)c2nc3ccccc3o2)cc1 5547977 CCQCKFOIYKSHAH-XLNRJJMWSA-N 397.474 6.349 30 40 GKEB COc1ccc(/C=C2\Oc3cc(OCc4cccc(Cl)c4)ccc3C2=O)cc1 12374185 BUGWKJKCGHOULW-UUYOSTAYSA-N 392.838 5.544 30 40 GKEB biogenic Cc1ccc(/N=C2\c3ccccc3-c3ccc(NC(=O)c4ccccc4)cc32)cc1 17284601 XIGXZAQWWAIPHR-BYCLXTJYSA-N 388.470 6.397 30 40 GKEB Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(N4CCCC4)cc3C)S2)cc1C 59224092 YJOPEBLUHZTBJH-STZFKDTASA-N 391.540 5.104 30 40 GKEB Clc1ccc(Sc2oc(/C=N/c3cccnc3)cc2Br)cc1 59249337 IFNZJSIMNCNVCI-KEBDBYFISA-N 393.693 5.992 30 40 GKEB CCCCCCCC/C=C/CCCCCCCC(=O)OCCCCCCCC 80300588 QTDSLDJPJJBBLE-CCEZHUSRSA-N 394.684 8.928 30 40 GKEB CCCCCCCCCCOc1ccc(C(=O)NCc2ccc(OC)cc2)cc1 98043356 HDGWNNFVNYXTAG-UHFFFAOYSA-N 397.559 6.145 30 40 GKEB CCCCCCCCCCCCCC/C(=N\OCc1ccccc1)C(=O)O 104331136 NDYJLBCXPSZLJJ-ZNTNEXAZSA-N 375.553 6.735 30 40 GKEB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)c(C#N)c1 225685469 TYGWYVGXOCTQPE-INIZCTEOSA-N 396.918 5.839 30 40 GKEB C=CCOc1ccccc1/C=C1/SC(=S)N(c2ccc(Cl)cc2)C1=O 408535839 XDNXLLNMZSRQJV-SFQUDFHCSA-N 387.913 5.311 30 40 GKEB N#Cc1c(-c2ccc(OCc3ccccc3)cc2)c(-c2ccccc2)c[nH]c1=N 408976627 BIIUSJGTPFHVJC-UHFFFAOYSA-N 377.447 5.279 30 40 GKEB O=[N+]([O-])c1cccnc1N/N=C\c1ccc(-c2cccc(Cl)c2Cl)o1 409095150 GYQGSMNTALKOBX-UKWGHVSLSA-N 377.187 5.003 30 40 GKEB CCCCCCCSc1nc(=O)c2c3c(sc2[nH]1)-c1ccccc1CC3 1828999 VRDOFMNMRGLBBT-UHFFFAOYSA-N 384.570 5.813 30 40 GKEB CCCCCCCn1c(N)c(C(=O)OC[C@@H](C)CC)c2nc3ccccc3nc21 2233837 IURRZBKLOZHEIR-INIZCTEOSA-N 396.535 5.340 30 40 GKEB Cc1ccc2nc(-c3cc(/N=C/c4ccc(Cl)cc4Cl)ccc3O)oc2c1 3050680 NICAGGCLCZNBJW-BHGWPJFGSA-N 397.261 6.566 30 40 GKEB Fc1ccc(COc2cccc(/C=N/Nc3nc4ccccc4s3)c2)cc1 4974128 GBRIFQLOUAZPJQ-YDZHTSKRSA-N 377.444 5.460 30 40 GKEB N#CCOc1ccc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1 7096895 OEYUZRAQORMCMQ-PLXFJCCSSA-N 378.475 6.082 30 40 GKEB CCc1ccc(/N=C/c2ccccc2OS(=O)(=O)c2ccc(Cl)cc2)cc1 8085132 NOTLFECQMFKLQN-HZHRSRAPSA-N 399.899 5.421 30 40 GKEB C(#Cc1ccccc1)/C=C\c1ccc2ccc(/C=C/C#Cc3ccccc3)cc2c1 8384066 GXZWAXJSYFPMBD-BUOZRGFLSA-N 380.490 6.970 30 40 GKEB Clc1cc(Cl)c2nc(-c3ccc(Cl)c(Cl)c3)cc([C@@H]3CO3)c2c1 8627568 NUWLCHYCYQISKD-INIZCTEOSA-N 385.077 6.587 30 40 GKEB Oc1ccc(Cl)cc1/C=N/CCCCCC/N=C/c1cc(Cl)ccc1O 18087003 MJEDAFLTUJSUIS-RNIAWFEPSA-N 393.314 5.503 30 40 GKEB CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@@H]2c1ccccc1Cl)OCO3 18197443 YRDQARMEHRPBIX-FQEVSTJZSA-N 381.859 5.269 30 40 GKEB COc1ccccc1CN/N=C/c1cc(Cl)ccc1OCc1ccc(C)cc1 20762803 OQUANJOPRVAAKT-CVKSISIWSA-N 394.902 5.360 30 40 GKEB CCCCCCCCCCCc1c(O)c(O)cc2nc3ccc(OC)cc3nc12 103006380 RFQRWNHFHUATDT-UHFFFAOYSA-N 396.531 6.276 30 40 GKEB biogenic,in-vitro C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1cccs1)C2=O 253497828 IWWSCPLMANPYFX-OCTYJFLGSA-N 382.569 5.634 30 40 GKEB Cn1c(N/N=C/c2ccccc2OCc2ccc(Cl)cc2)nc2ccccc21 408665595 UDLYVXBZNBGHHE-ZVHZXABRSA-N 390.874 5.252 30 40 GKEB Cc1ccc(/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c(C)c1 408739594 YDQBPWLOUXVGSZ-YDZHTSKRSA-N 381.317 6.224 30 40 GKEB CCc1ccc(N=C2NC(=O)/C(=C/c3cn(CC)c4ccccc34)S2)cc1 408756663 TXWYNCMGTQBSHR-MOSHPQCFSA-N 375.497 5.115 30 40 GKEB C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(F)cc2)S/C1=N\c1ccccc1 408847535 NIPGJSLXMAQHAR-RXQVSFMMSA-N 394.515 6.008 30 40 GKEB CCCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CCC)C2=O)cc1 408916639 YSIYJMBJBVGQMD-RERTVAKNSA-N 394.540 5.798 30 40 GKEB O=C(O)c1ccc(COc2ccc3ccccc3c2/C=N/c2ccccc2)cc1 409199342 BQJUCDMTFIXCNM-WGOQTCKBSA-N 381.431 5.868 30 40 GKEB Cc1ccc(Sc2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2)cc1 409246270 ACHXXAGWLRXIPM-ZXVVBBHZSA-N 395.527 7.689 30 40 GKEB O=C(c1ccc(C(F)(F)F)c(Cl)c1)C(F)(F)C(F)(F)C(F)(F)F 575360924 SGPLWOZCTHSCDT-UHFFFAOYSA-N 376.577 5.374 30 40 GKEB Brc1ccc(/C=N/c2nc3ccccc3n2Cc2ccccc2)cc1 722097 RDNFLMOYZZUPEZ-OEAKJJBVSA-N 390.284 5.598 30 40 GKEB O=C(/N=C1\N=C2C=CC=CN2Cc2ccccc21)c1ccc(-c2ccccc2)cc1 3165630 BOXKJHDSGJCEAP-FVDSYPCUSA-N 389.458 5.238 30 40 GKEB Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccs1)C1=C(CC(C)(C)CC1=O)N2 4180672 RKVUDPYXSDNHIF-OAQYLSRUSA-N 389.524 5.443 30 40 GKEB CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCc1ccccc1F 6961619 AXIVFVSJTMFRJM-VULFUBBASA-N 397.877 6.516 30 40 GKEB O=C1/C(=C/c2cccnc2)Oc2cc(OCc3ccc(Cl)c(Cl)c3)ccc21 8642636 BPDXSHCHEPGWOV-UKWGHVSLSA-N 398.245 5.584 30 40 GKEB CCCN(CCC)Cc1c(O)ccc2c1O/C(=C\c1ccccc1Cl)C2=O 20625056 KFMOPLKLCIHHFO-MOSHPQCFSA-N 385.891 5.284 30 40 GKEB C=CCSc1nnc(NC(=O)c2ccc(CSc3ccccc3)cc2)s1 21577856 AFOQDBIDNBNREI-UHFFFAOYSA-N 399.566 5.361 30 40 GKEB C[C@@H](Cc1cccs1)N(Cc1ccccc1)C(=O)/C=C/c1ccc(C#N)cc1 32988550 CXEQMDZOGOLCQS-KQDNUWKFSA-N 386.520 5.293 30 40 GKEB CCCCCCCCCCOc1ccc(NC(=O)Nc2ccccc2C)cc1 100034592 JWWFDHNUMXZFFW-UHFFFAOYSA-N 382.548 7.159 30 40 GKEB O=C(Nc1ccccc1)c1c(/N=C\c2ccc(Cl)cc2)sc2c1CCCC2 408851311 XOALIYZCWWBDQI-OYKKKHCWSA-N 394.927 6.283 30 40 GKEB CCCCOc1ccccc1/C=C1\SC(=Nc2ccc(Cl)cc2)NC1=O 408886059 HPIWJGLNKCDRQN-AQTBWJFISA-N 386.904 5.411 30 40 GKEB CC1=NOC(=O)/C1=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12 408936394 FYQASCUNNHLKCC-XDHOZWIPSA-N 377.827 5.388 30 40 GKEB COC(=O)c1ccc(C)c(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)c1 409064921 JFTBPGDAOXYIFO-ZVHZXABRSA-N 395.911 6.337 30 40 GKEB O=C(O)c1cc(/N=C\c2ccc(Sc3ccc(Cl)cc3)cc2)ccc1O 409066366 OHYOCTLWWIWAQY-UUYOSTAYSA-N 383.856 5.646 30 40 GKEB Cc1oc(/N=C/c2cccc(OCc3cccc4ccccc34)c2)c(C#N)c1C 409160742 IRIZWJCQHGNVQS-JFLMPSFJSA-N 380.447 6.251 30 40 GKEB Cc1cccc(/N=C/c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)c1C 409216323 HCHYQOHHWICTIU-ZMOGYAJESA-N 394.858 6.195 30 40 GKEB C=C[C@](C)(CC[C@H]1[C@@]2(C)CCCC(C)(C)[C@H]2CC[C@@]1(C)OC(C)=O)OC(C)=O 4680690 JRCDNYSMCYLMMV-MRQKEVAZSA-N 392.580 5.839 30 40 GKEB biogenic Clc1ccccc1COc1ccccc1/C=N/Nc1nc2ccccc2[nH]1 5614678 ZTUZFAHVPJKUOP-YDZHTSKRSA-N 376.847 5.241 30 40 GKEB CC1CCN(C/C(O)=N/c2ncc(Cc3ccc(Cl)cc3Cl)s2)CC1 49640507 ZMPIPJCBHRAQDJ-UHFFFAOYSA-N 398.359 5.361 30 40 GKEB Cc1ccccc1/N=C1/C(=O)N(Cc2cccc3ccccc23)c2ccccc21 100280556 KLCZQKKPTZPARA-IMVLJIQESA-N 376.459 5.816 30 40 GKEB CCCCCCCC[C@@H](Nc1ccccc1)[C@H](O)CCCCCCCC(=O)O 100696176 UPLSZYORZXQUHY-DHIUTWEWSA-N 391.596 6.394 30 40 GKEB CCCCCCCCCCCCCCCCCC1=NC(C)(C)CN1C[C@@H](C)O 104326582 BTAJSNVXTOHSCD-HSZRJFAPSA-N 394.688 7.121 30 40 GKEB O=C1NC(=Nc2ccccc2)S/C1=C\c1ccc(-c2ccc(F)cc2F)o1 408605237 XSTCCMIUOGDOKY-WQRHYEAKSA-N 382.391 5.116 30 40 GKEB Cc1cc(C)c(COc2ccc(C=C3C(=O)CC(C)(C)CC3=O)cc2)c(C)c1 408993595 WQFUDWOCPOUVNH-UHFFFAOYSA-N 376.496 5.532 30 40 GKEB Cc1ccc(-c2nc3ccccc3[nH]2)cc1/N=C/c1c(O)ccc2ccccc12 989565 WTWJVCQICKFNNM-CVKSISIWSA-N 377.447 6.148 30 40 GKEB Brc1ccc(/C=N/Nc2nc3ccccc3c3ccccc23)cc1 4834536 PMVQGGABBDKPQJ-LPYMAVHISA-N 376.257 5.597 30 40 GKEB Cc1ccc2cc(C#N)c(SCC(=O)Nc3ccc(Cl)cc3)nc2c1C 4849102 KZYOAFRMVQSTSE-UHFFFAOYSA-N 381.888 5.108 30 40 GKEB COc1ccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)cc1O 4986728 VIBMLTDBHZBHHT-LGMDPLHJSA-N 387.460 5.434 30 40 GKEB C=CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccncc1 6317570 LDJZJUMCUQBVQK-UHFFFAOYSA-N 377.300 5.125 30 40 GKEB Cc1ccc(/N=C/c2ccccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1 8371972 SBOXJBMWRNEQMM-AFUMVMLFSA-N 392.886 5.725 30 40 GKEB Cc1cc(-c2cc(C(=O)Nc3cccc(C#N)c3)c3c(C)noc3n2)c(C)s1 12752263 VPLZHLZRTNUHMC-UHFFFAOYSA-N 388.452 5.001 30 40 GKEB CCc1ccc(/C=N/Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1 13126311 INXIMHHWODQCTB-MFKUBSTISA-N 386.886 5.959 30 40 GKEB S=c1[nH]nc(-c2ccccc2)n1/N=C/c1ccccc1OCc1ccccc1 20932670 RFLLMTWQBVLJCL-HZHRSRAPSA-N 386.480 5.069 30 40 GKEB CCN1/C(=C/C(=O)/C=C2\Sc3ccccc3N2CC)Sc2ccccc21 38175515 KNYVRTQJGWFXJJ-NMGXZBPKSA-N 380.538 5.503 30 40 GKEB CSc1ccc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1 102957597 FFVNXWNSNDUFRA-WPWMEQJKSA-N 394.499 6.958 30 40 GKEB CCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1 408742269 VTDOWKSCICGYHD-PCLIKHOPSA-N 389.499 5.087 30 40 GKEB Cc1ccc(Cn2cc(C=C3C(=O)c4ccccc4C3=O)c3ccccc32)cc1 408911690 CDDGNEUMYBQHGY-UHFFFAOYSA-N 377.443 5.461 30 40 GKEB COCc1cc(C)nc(SCC(=O)c2ccc(-c3ccccc3)cc2)c1C#N 408998045 HTQJLENPIICMQZ-UHFFFAOYSA-N 388.492 5.050 30 40 GKEB CCCCOC(=O)c1ccc(/N=C/c2ccc(O[C@H](C)CC)c(Cl)c2)cc1 409021061 XJTZTPDBHWRUHZ-DTVDJLOLSA-N 387.907 6.225 30 40 GKEB C=CCN1C(=O)S/C(=C/c2cn(Cc3cccc(C)c3)c3ccccc23)C1=O 409088315 LADORZYYCAGRLZ-FYJGNVAPSA-N 388.492 5.220 30 40 GKEB CCN1C(=O)/C(=C\c2ccccc2OCc2ccccc2C#N)c2ccccc21 409116421 IYNZNLHIKYUKDD-JCMHNJIXSA-N 380.447 5.044 30 40 GKEB N#Cc1ccccc1Cn1cc(C=C2C(=O)c3ccccc3C2=O)c2ccccc21 977311 FCTKKKBHHWZNCQ-UHFFFAOYSA-N 388.426 5.024 30 40 GKEB Cc1ccc(C)c(/N=C/c2c(O)c(Br)cc3oc4c(c23)CCCC4)c1 1244312 KECHMVUMDQSHQW-FOKLQQMPSA-N 398.300 6.147 30 40 GKEB O=C1c2ccccc2N[C@@H](c2ccccc2Cl)N1/N=C/c1ccccc1Cl 2747198 RETUTRLONCAMOX-FINLKQIMSA-N 396.277 5.594 30 40 GKEB CCC(C)(C)C1CCC(=NNC(=S)Nc2ccccc2C(F)(F)F)CC1 6349583 INVVPFHVGNCCNI-UHFFFAOYSA-N 385.499 5.974 30 40 GKEB CC(=C\c1ccccc1)/C=C1/S/C(=N/c2cccc(C(F)(F)F)c2)NC1=O 12032480 JUQFGVQOLJBRKI-YAXRHUFXSA-N 388.414 5.543 30 40 GKEB O=C1/C(=C\C=C\c2ccccc2)S/C(=N/c2ccccc2)N1c1ccccc1 13549160 LNFZXPUTSFDDBD-VXBDJUPTSA-N 382.488 6.051 30 40 GKEB N#Cc1ccccc1-c1ccc(CSc2nnc(-c3ccc(F)cc3)o2)cc1 14189804 WABUTUNXQYFYCI-UHFFFAOYSA-N 387.439 5.707 30 40 GKEB Cc1cc2c(cc1C)N[C@@H](c1ccc(Cl)cc1)C1=C(CC(C)(C)CC1=O)N2 18137891 TYSIWLQUMGEXCP-QFIPXVFZSA-N 380.919 6.179 30 40 GKEB CC(C)(C)n1nc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1C1CC1 84325493 OAPPVHGJTPOOQJ-ZDUSSCGKSA-N 398.919 5.269 30 40 GKEB CCc1ccc2oc(-c3cc(/N=C\c4cccc(OC)c4O)ccc3O)nc2c1 100929922 IAHSRJQCARUBRI-CFRMEGHHSA-N 388.423 5.228 30 40 GKEB O=C(Nc1ccc(/N=C/c2cc(Cl)ccc2O)cc1)c1cc2ccccc2o1 102419354 PEXVLBAIXGDCQY-ZMOGYAJESA-N 390.826 5.795 30 40 GKEB C/C(CC(=O)c1ccccc1)=N\CCCC/N=C(\C)CC(=O)c1ccccc1 104207955 DEOSFAQXYILCQW-FQHZWJPGSA-N 376.500 5.234 30 40 GKEB Cc1ccc(-n2c(C)cc(/C=C3\SC(=N)[C@@H](c4nccs4)C3=O)c2C)cc1 107861661 IBWRHXDQLZWYHY-RBTJZALWSA-N 393.537 5.277 30 40 GKEB Brc1cccc(-n2cccc2/C=N\c2ccc3ccccc3c2)c1 409015443 SASKPIMZBRDOPU-HAHDFKILSA-N 375.269 6.144 30 40 GKEB CSc1ccccc1/N=C/c1ccc(Sc2ccc(Cl)cc2)s1 409017367 NOYNXRMAJHBYOY-UDWIEESQSA-N 375.971 7.025 30 40 GKEB CCOc1cccc(/N=C\c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)c1 409080494 IFUUGHLFCJLVCP-QQXSKIMKSA-N 375.512 6.009 30 40 GKEB Cc1ccc(Sc2ccc(/C=N/c3ccc(N4CCOCC4)cc3)cc2)cc1 409243291 ROGSZTUPEYHASO-XIEYBQDHSA-N 388.536 5.733 30 40 GKEB COC(=O)c1ccc(/C=N/c2ccc3oc(-c4cccc(OC)c4)nc3c2)cc1 1052393 BDDUJIQUOBUASX-ZVHZXABRSA-N 386.407 5.041 30 40 GKEB biogenic Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(/N=C/c3ccccc3O)cc1)N2 1458578 QNKUYWSGQXXETI-GVLPBYANSA-N 380.491 6.278 30 40 GKEB CCOc1cccc(/C=N/c2ccc3oc(-c4ccc(Cl)cc4)nc3c2)c1O 1509430 FEVGKUSEOUIXDQ-ZMOGYAJESA-N 392.842 6.003 30 40 GKEB CCCCCCCNC(=O)COc1ccc2ccccc2c1Br 2132253 KEYVLIFKXDOHBC-UHFFFAOYSA-N 378.310 5.068 30 40 GKEB CC1(C)CC(=O)C=C(Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)C1 4154992 OKNVRVKGXGRYKE-UHFFFAOYSA-N 382.463 6.170 30 40 GKEB N#Cc1c(NC(=O)/C=C\c2ccc(Cl)cc2Cl)sc2c1CCCCC2 4628566 MCQXUFDEDLQDDO-CLFYSBASSA-N 391.323 5.847 30 40 GKEB CC(=O)N(c1ccccc1)c1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N 4663152 APNMJQDMZJAOPF-UHFFFAOYSA-N 389.458 5.972 30 40 GKEB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccccc1)C2=O 4758900 XVNNBSPKVRWTLT-XLXAGOSISA-N 378.556 5.653 30 40 GKEB C[C@H](Oc1ccc(-c2ccc(C#N)cc2)cc1)C(=O)N[C@H]1CCCc2ccccc21 5406941 BDNHKOIJQCTTKP-BVZFJXPGSA-N 396.490 5.186 30 40 GKEB CC[C@H]1S/C(=N\N=C\c2ccccc2)N(Cc2cccc3ccccc23)C1=O 5791210 AXNFSPPJHCLVRS-LSIOVLHASA-N 387.508 5.084 30 40 GKEB O=C(/C=C\Nc1ccc(OC(F)(F)F)cc1)c1ccc(-c2ccccc2)cc1 8436371 WCFXYCYHHPQZSG-PFONDFGASA-N 383.369 6.061 30 40 GKEB c1ccc(N/N=C2\CCCC[C@]23C[C@H]2CCCCC2=NN3c2ccccc2)cc1 17206420 ZWMBAKDHUIYDKE-ZVWPYCHMSA-N 386.543 6.224 30 40 GKEB C[C@@H](SC1=Nc2ccccc2CS1)C(=O)Nc1sc2c(c1C#N)CCC2 42512774 PJGYWVTWVCKBTH-LLVKDONJSA-N 399.566 5.103 30 40 GKEB C(=N/c1ccc(N2Cc3ccccc3C2)cc1)\c1c2ccccc2cc2ccccc12 100060403 JIFGDIODUVAARA-UXHLAJHPSA-N 398.509 7.264 30 40 GKEB O=C1/C(=C/c2cccc(O)c2)S/C(=N\c2ccccc2F)N1C1CCCCC1 408868889 OAMJPTIQDSRKME-NJMAKWBESA-N 396.487 5.468 30 40 GKEB Cc1ccc(Cl)cc1/N=C/c1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C 408967017 OSAMCHWNQBHSFV-CVKSISIWSA-N 378.947 7.104 30 40 GKEB Cc1c(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)cccc1C(=O)O 409090204 MIINIMQTIVAVQZ-VULFUBBASA-N 389.495 5.617 30 40 GKEB CCOc1cccc(/C=N/c2cccc(-c3nc4cc(Cl)ccc4o3)c2)c1O 802264 ZPMNPLNOJIKBSP-ZMOGYAJESA-N 392.842 6.003 30 40 GKEB O=C1N/C(=N/c2ccc(Cl)cc2Cl)S/C1=C/c1c[nH]c2ccccc12 1447434 OYSYEYPBKTUHFY-FRKPEAEDSA-N 388.279 5.366 30 40 GKEB C=C(C)c1cccc(C(C)(C)NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 3170830 OUIUPLXQCRHFOV-UHFFFAOYSA-N 396.840 6.449 30 40 GKEB O=P1(N/N=C/c2ccncc2)C=C(c2ccccc2)OC(c2ccccc2)=C1 3201797 RIUNSSRUKHALAL-BUVRLJJBSA-N 387.379 5.311 30 40 GKEB O=[N+]([O-])c1cccc(-c2ccc(/C=N/N(c3ccccc3)c3ccccc3)o2)c1 4365200 ZKIDVRIZBRRHGF-JJIBRWJFSA-N 383.407 6.027 30 40 GKEB CCOc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(CC)cc1 4740361 QZKDXWGQRZSNSP-UVWSQDQSSA-N 376.500 5.401 30 40 GKEB C=CCn1c(SCC(=O)Nc2c(C)cccc2C(C)C)nc2ccccc21 5619110 BSRVQDZXOUNFFC-UHFFFAOYSA-N 379.529 5.385 30 40 GKEB Cc1cc2c(cc1C)CN(c1ccc(C(=O)/C=C/c3ccc(Cl)cc3)cc1)C2 6255671 CKSCSXYLCBCSRG-LFYBBSHMSA-N 387.910 6.373 30 40 GKEB CC(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O 9419153 DRUNCNROVUUDFY-IDUWFGFVSA-N 377.223 5.171 30 40 GKEB O=C1N/C(=N/c2cccc3ccccc23)S/C1=C/c1cccc2ccccc12 12032566 UZEIXURKSFJKSR-PXLXIMEGSA-N 380.472 5.885 30 40 GKEB CN(C)[C@@H](CNc1oc(-c2ccccc2)nc1C#N)c1ccc(C(C)(C)C)cc1 96346533 OPOPTVYYTHHVQL-NRFANRHFSA-N 388.515 5.226 30 40 GKEB C=CCOc1cccc(NC(=O)CSCc2ccc(Cl)cc2Cl)c1 222721368 YIRGGMDOJLNLEE-UHFFFAOYSA-N 382.312 5.430 30 40 GKEB COc1cccc2c(C=C3C(=O)CC4(CCCC4)CC3=O)c(-c3ccccc3)[nH]c12 408847908 VTNFTKYKNMFHBY-UHFFFAOYSA-N 399.490 5.719 30 40 GKEB C=CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CCC)C2=O)cc1 408908452 DZGVZLZRDXCSLF-RERTVAKNSA-N 392.524 5.574 30 40 GKEB CCOc1cc(Br)cc(/C=N/c2cc([C@@H](C)CC)ccc2O)c1O 3043438 IPFQSIDEBRAFEA-OVMKCGGTSA-N 392.293 5.523 30 40 GKEB Cc1cccc2oc(-c3cc(/N=C/c4ccc(Cl)c(Cl)c4)ccc3O)nc12 3114116 DEMGSKRKNHPJSD-BHGWPJFGSA-N 397.261 6.566 30 40 GKEB CCCCOc1ccccc1/C=N/Nc1nc(-c2ccc(Cl)cc2)cs1 4534893 FVTKRZUMIYXXIZ-LPYMAVHISA-N 385.920 6.088 30 40 GKEB COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccco2)c1 4973603 BOFLPTBJGFKEOZ-FYSMJZIKSA-N 386.451 5.268 30 40 GKEB CCCC/C(=N\N=C(/CCCC)c1ccc(C)cc1O)c1ccc(C)cc1O 5950972 UACVZUZFEUAPJI-CDTUYSNOSA-N 380.532 6.288 30 40 GKEB CN(CC#C[C@]1(C)CC[C@@H]2[C@@H](O1)c1ccccc1OC2(C)C)Cc1ccccc1 12658984 VSJACZVSLVSJHV-KTIWRFAQSA-N 389.539 5.219 30 40 GKEB biogenic COc1ccc(/N=C2\NC(=S)N(c3cccc(Cl)c3)C23CCCCC3)cc1 13940282 MHGWXPVYJCHMGT-UHFFFAOYSA-N 399.947 5.476 30 40 GKEB COc1ccc(Nc2nc(SC)nc(-c3ccc(C)cc3)c2C#N)cc1Cl 19820661 HAUOHCRRWKQYDS-UHFFFAOYSA-N 396.903 5.451 30 40 GKEB Cc1c(C(=O)/C=C/c2ccccc2OCc2ccccn2)cnn1-c1ccccc1 24972415 VJOMNANIVXGAMG-CCEZHUSRSA-N 395.462 5.051 30 40 GKEB O=C1/C(=C/c2ccccc2)CCC/C1=C\c1ccc(O)c(CN2CCCCC2)c1 31872014 KQXDRRPPRVKAFE-LKNRODPVSA-N 387.523 5.598 30 40 GKEB N#Cc1ccc(/C=C/C(=O)N2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)cc1 58312181 JMDDMLQOCOIUBN-BNCSFYMNSA-N 384.401 5.344 30 40 GKEB N#C[C@H](C(=O)[C@H]1C[C@@H]1c1cccc(F)c1)c1nc(-c2c(F)cccc2F)cs1 67801423 OYIWMDPQYMJBHT-QLFBSQMISA-N 398.409 5.207 30 40 GKEB C(=N/c1nc(-c2ccc(C3CCCCC3)cc2)cs1)\c1ccc2c(c1)OCO2 408979850 SSLOYUNKUMFMIP-ZMOGYAJESA-N 390.508 6.337 30 40 GKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N\c2ccc(C)c([N+](=O)[O-])c2)cc1OC 409377494 ITUBADQEBOESNL-PJICWNCHSA-N 376.840 5.493 30 40 GKEB O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1)CC(=O)N2c1ccc(F)cc1F 1079584 WSDXCNRUCZNBFZ-HNNXBMFYSA-N 387.813 5.146 30 40 GKEB Clc1ccc(Cn2c(/N=C/c3ccc4c(c3)OCO4)nc3ccccc32)cc1 1506486 HMPXEULWTWGLBS-WYMPLXKRSA-N 389.842 5.217 30 40 GKEB CCC(/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])(CC)Sc1ccccc1 4114439 HSQXNODDRSMRHF-CPNJWEJPSA-N 388.449 5.252 30 40 GKEB CC(/C=C/c1ccccc1)=N\Nc1nc(-c2ccc(Br)cc2)cs1 4672715 NHVYQGYCHMFSRW-NAVQUYGWSA-N 398.329 6.074 30 40 GKEB COc1ccc([C@H]2C[C@H]2/C(=N/OC(=O)c2cccs2)c2ccccc2)cc1 5527106 JSQYHPONISJPOF-RRQHQGNBSA-N 377.465 5.122 30 40 GKEB O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C\c1ccccc1Cl 5550966 CIBGLIWSOLGGNO-JYRVWZFOSA-N 383.687 5.538 30 40 GKEB Cc1ccc(/N=C(/N)NN=C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 6522413 PWNOXWVKMOOCQQ-UHFFFAOYSA-N 397.309 5.290 30 40 GKEB C/C(=N\OCCOc1cccc(C(F)(F)F)c1)[C@@H]1C[C@@H]1c1ccc(F)cc1 12350869 PTXMICIGMHQXQP-XMEDJCRESA-N 381.369 5.420 30 40 GKEB CCOc1cccc(/C=N/c2ccc(O)c(-c3nc4cc(C)ccc4o3)c2)c1O 13477539 DFFCBFZAEMITAR-ZMOGYAJESA-N 388.423 5.364 30 40 GKEB CSc1nc(NCc2ccc(F)cc2)c(C#N)c(-c2ccc(Cl)cc2)n1 19820558 IOOLJMYPWZRQPJ-UHFFFAOYSA-N 384.867 5.142 30 40 GKEB CCCCCCCC(=O)Oc1ccc(/N=N/c2ccc(CCCC)cc2)cc1 68568982 MZMRLBULAHTQEU-OCEACIFDSA-N 380.532 7.711 30 40 GKEB CCCCCCCCCn1c[n+](CCCCCCCCC)c2cc(C)c(C)cc21 101663418 ZESNZUUIAKKVKA-UHFFFAOYSA-N 399.687 8.047 30 40 GKEB COc1cccc(/N=C/c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)c1 408859520 XRQBAVSPQYPWMY-FSJBWODESA-N 382.847 5.205 30 40 GKEB CC[C@H](C)c1ccc(/N=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cc1 408965386 GTFFVTHMWAQBFR-VKLJRCAFSA-N 386.583 7.656 30 40 GKEB Cc1cc(/C=N\c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(C(C)(C)C)cc1 408968721 YFMKCDAKUWRBNT-IWIPYMOSSA-N 375.472 6.050 30 40 GKEB Fc1cc(/C=N/c2ccc(Br)c(Cl)c2)ccc1N1CCCC1 409068804 WCPLQZBVLIODPB-SRZZPIQSSA-N 381.676 5.592 30 40 GKEB O=C1/C(=C/c2ccco2)Oc2cc(OCc3ccc(Cl)cc3Cl)ccc21 2419033 TWXXEUBULMZHGG-GRSHGNNSSA-N 387.218 5.782 30 40 GKEB Cc1ccc(N/N=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 4175335 DGHXOTHMMYDJKS-LFVJCYFKSA-N 387.295 5.765 30 40 GKEB N#Cc1ccc(CSc2nnc(Cc3cccs3)n2-c2ccccc2)cc1 8193182 HPDJFTGZAITTLD-UHFFFAOYSA-N 388.521 5.084 30 40 GKEB CCc1cccc(CC)c1NC(=O)CON=C1c2ccccc2-c2ccccc21 12600626 ZLJIDUIVMJIHHB-UHFFFAOYSA-N 384.479 5.200 30 40 GKEB CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)Cc2ccccc2C#N)c1 13010440 CHHKOIXBYFVEDZ-LJQANCHMSA-N 383.495 5.280 30 40 GKEB COc1cc2c(cc1OC)/C(=N/c1cc(Cl)cc(Cl)c1)NC(C)(C)C2 18068320 KQVXOWFXVPUVPG-UHFFFAOYSA-N 379.287 5.013 30 40 GKEB CC(C)C/C(=N/Nc1nc2ccccc2s1)C1=C(O)c2ccccc2C1=O 100847515 VJYGHFBAPMIDOA-KQWNVCNZSA-N 377.469 5.276 30 40 GKEB CCCCCCCCCCOC(=O)/C=C/C(=O)OCCCCCCCCCC 104173045 BVVRPLNLVUMGSL-FMQUCBEESA-N 396.612 6.910 30 40 GKEB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](C#N)CC[C@]4(C)[C@H]3CC[C@@]21C 118932747 IPBLIUKTZDRWCD-BNOLYSMESA-N 395.675 8.168 30 40 GKEB C[C@H]1C/C(=C/c2ccccc2)c2nc3ccccc3c(C(=O)O[C@H](C)C#N)c2C1 229727605 JEXWBLFHMKTLOH-AZUQGFLWSA-N 382.463 5.427 30 40 GKEB Cc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c(Cl)c1 408629047 JQMZEICCBKOHTG-ZDUSSCGKSA-N 386.948 5.985 30 40 GKEB N#CCOc1ccc([C@@H]2Nc3ccc(Oc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1 408736034 BERCQUHSASRQDE-UMFSSWHCSA-N 394.474 6.208 30 40 GKEB Oc1cc(Cl)ccc1/N=C\c1cccn1-c1ccc(Br)cc1 408851039 UWWAGLLGGMIYEE-JAIQZWGSSA-N 375.653 5.349 30 40 GKEB Cc1cc(Br)ccc1N=C1NC(=O)/C(=C/c2sccc2C)S1 408988183 DAEIUFVNBNESCZ-ZSOIEALJSA-N 393.331 5.019 30 40 GKEB O=C(/C=C/Nc1ccc(N=Nc2ccccc2)cc1)c1cccc2ccccc12 409174337 SJTXMMVFWRNLSS-WPGFHGAGSA-N 377.447 7.064 30 40 GKEB Cc1ccc(COc2ccc3ccccc3c2/C=N/c2ccc(C)cc2C)cc1 409213640 UFWOZGXXYJEUHJ-OGLMXYFKSA-N 379.503 7.095 30 40 GKEB Cc1ccc(C(C)C)c(OCC(=O)Nc2sc3c(c2C#N)CCCCC3)c1 709408 BOFPTXXUIDHQEJ-UHFFFAOYSA-N 382.529 5.338 30 40 GKEB O=C1/C(=N\OCc2c(F)cccc2Cl)c2ccccc2N1c1ccccc1 1387564 ZVTAUDDGQVRBFQ-GFMRDNFCSA-N 380.806 5.078 30 40 GKEB CCCCOc1ccc(/C=N/N=C(/C(=O)c2ccccc2)c2ccccc2)cc1 3270118 BGPOGOIHDRCMPL-LEXLDCMNSA-N 384.479 5.572 30 40 GKEB CC(C)c1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)cc1 4149557 BHNGKGLYGZDJSD-QFIPXVFZSA-N 391.555 6.624 30 40 GKEB C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(C)cc2)cc1 4368018 AWANRNLPVLXUCH-AHWVRZQESA-N 396.490 5.802 30 40 GKEB O=C1N/C(=N\c2ccc(Cl)c(C(F)(F)F)c2)S/C1=C\c1cccs1 5500257 MAUVZOCFRPVFQW-GHXNOFRVSA-N 388.823 5.312 30 40 GKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)COc3ccccc3C)c2C#N)C1 5614603 FAJXBIGYEZBVJN-INIZCTEOSA-N 396.556 5.487 30 40 GKEB Cc1ccc(-c2nc3ccccc3c(=O)n2/N=C\c2cccc3ccccc23)cc1 5649171 LBQQXGVSCFLPLD-PKAZHMFMSA-N 389.458 5.407 30 40 GKEB Clc1ccc(-c2csc(N/N=C\c3c(Cl)cccc3Cl)n2)cc1 5756645 KHLAKIKEZPUBJS-ZBKNUEDVSA-N 382.703 6.216 30 40 GKEB CCOc1cc(/C=N/c2cc(C)ccc2C)ccc1OCc1ccc(Cl)cc1 6961270 FPDKGOIHBUPXEI-CVKSISIWSA-N 393.914 6.685 30 40 GKEB C=CCn1c(-c2ccc(Cl)cc2Cl)cs/c1=N\c1cccc(O)c1 6982322 QEEINGJDHFMOSF-UZYVYHOESA-N 377.296 5.647 30 40 GKEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(Cl)cc3Cl)S2)c(C)c1 8410587 OPIHPFOUNLNBHS-PXNMLYILSA-N 377.296 5.502 30 40 GKEB Cc1ccccc1/N=C/c1c(OCc2ccccc2Cl)ccc2ccccc12 8570806 UOJBDQLNKRAQFK-JVWAILMASA-N 385.894 7.131 30 40 GKEB N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCc1ccc(F)cc1 96190232 LEAXJEJNBFOGDK-UHFFFAOYSA-N 396.490 6.719 30 40 GKEB CCCCCCCCCC(=O)O[C@H](C)c1ccc(OCc2ccccc2)cc1 100040216 TYNKIFVKBNHITE-OAQYLSRUSA-N 382.544 7.011 30 40 GKEB CCCCc1ccc(/N=C/c2ccc(OCc3ccccc3F)c(OC)c2)cc1 100384409 AYXMKWQCTHBEOV-WPWMEQJKSA-N 391.486 6.507 30 40 GKEB Cc1n[nH]c(C)c1Sc1ccccc1/N=C\c1ccccc1C(F)(F)F 100535411 SBUACWAOVAAXAS-KSEXSDGBSA-N 375.419 5.947 30 40 GKEB CCCCCCCCCCCCCCCC[N+]12CCC(CC1)[C@H](OC(C)=O)C2 104167957 MPDYUIQVSCXDDU-GXUWAKPLSA-N 394.664 6.640 30 40 GKEB CCCCc1ccc(/N=C/c2ccccc2OCc2ccc(C(=O)O)cc2)cc1 146425164 KVLQAAPOWZIZGN-YZSQISJMSA-N 387.479 6.057 30 40 GKEB CC[C@H](C)Oc1c(Cl)cc(/C=N/c2cc(C(=O)OC)ccc2C)cc1OC 409378140 MMBGJUMTBPJWNF-XMTZNVEYSA-N 389.879 5.372 30 40 GKEB COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4c(c3)CCC=C4)n2)cc1 560217026 CJCAYEZECZBOHL-HXUWFJFHSA-N 386.476 5.268 30 40 GKEB O=C1ON(c2ccccc2)[C@H](c2ccc(F)cc2)N1c1cccc2ccccc12 2442000 PBPXRXOSGOPOSH-HSZRJFAPSA-N 384.410 6.056 30 40 GKEB O=C(NC(=O)c1c(Cl)cccc1Cl)O/N=C/C(Cl)=C/c1ccccc1 2577543 UXUQLDQQRLKDOV-FUZYYYJCSA-N 397.645 5.126 30 40 GKEB CCOc1ccccc1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 2739878 YXOSRQYQBUNCIU-CQSZACIVSA-N 382.529 5.422 30 40 GKEB Fc1ccccc1-c1nc2cc(/N=C/C=C/c3ccc(Cl)cc3)ccc2o1 2895265 SFJOGBCUANDEPT-DFJXIDDLSA-N 376.818 6.703 30 40 GKEB Cc1ccc2oc(-c3cc(/N=C/c4ccc(Cl)c(Cl)c4)ccc3O)nc2c1 3113886 HSUIAQJGZUEJTJ-BHGWPJFGSA-N 397.261 6.566 30 40 GKEB C(#Cc1ccc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)cc1)c1ccccc1 4414085 DJDXSNHOXRUVKL-JMUJOHMKSA-N 385.470 7.252 30 40 GKEB CCOc1c(Br)cc(/C=N/c2ccccc2C)cc1Br 6957986 PZDRQBAJFXAJDJ-VXLYETTFSA-N 397.110 5.669 30 40 GKEB C=CCNCc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 8470275 PIOUIMVENBRHKK-UHFFFAOYSA-N 386.706 5.510 30 40 GKEB O=[N+]([O-])c1cc(-c2ccc(/C=N/NCc3ccccc3Cl)o2)ccc1Cl 8811474 ARSZSOCYQOMRHW-SSDVNMTOSA-N 390.226 5.285 30 40 GKEB Cc1ccsc1/C=C1\Oc2cc(OC(=O)/C=C/c3ccccc3)ccc2C1=O 13787195 VHPOMJVJUROBNV-VSYZJNMKSA-N 388.444 5.292 30 40 GKEB C(=N/N=c1\[nH]c(-c2ccccc2)c(-c2ccccc2)s1)\c1c[nH]c2ccccc12 16977518 RTRJEGGGIOPGAG-WGOQTCKBSA-N 394.503 5.826 30 40 GKEB Cc1n[nH]c(C)c1Sc1ccccc1/N=C/c1cccc(Br)c1 18063325 FFFOTQAXWCQGSE-RGVLZGJSSA-N 386.318 5.691 30 40 GKEB CSc1nc(-c2ccc(C(C)(C)C)cc2)c(C#N)c(N2CCCC[C@H]2C)n1 19820422 NRIKKZFVNAQRPJ-OAHLLOKOSA-N 380.561 5.413 30 40 GKEB C=CCn1c(-c2ccccc2)c(NC(C)=O)s/c1=N\c1cccc(Cl)c1 26770674 STLFUJQHWAEJSW-ATJXCDBQSA-N 383.904 5.247 30 40 GKEB COc1ccc(/C=N/Nc2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)cc1 59484298 UOBUGOFCBPCMRY-PCLIKHOPSA-N 399.519 6.240 30 40 GKEB CC/N=C1\S/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)C(=O)N1CC 408785866 IVLSSQDIFLWQMI-JLZFKDTQSA-N 387.936 5.060 30 40 GKEB Cc1ccc(/N=C/c2cccn2-c2ccc(Br)cc2)c([N+](=O)[O-])c1 408850552 BVBNQLTYPFGBBK-UDWIEESQSA-N 384.233 5.207 30 40 GKEB CC[C@@H](C)c1ccc(O)c(/N=C/c2cc(Br)cc(Cl)c2O)c1 793448 LYISTVOKZCQUGR-KTMXNEEYSA-N 382.685 5.778 30 40 GKEB CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1)C(=O)C[C@@H]2c1ccsc1 1076732 ZBTRYELVWFTJFI-MRXNPFEDSA-N 385.916 5.565 30 40 GKEB Oc1ccc(I)cc1/C=N/c1ccc(Cl)c(Cl)c1 1434347 TUQGCBNGCLRYBI-REZTVBANSA-N 392.023 5.054 30 40 GKEB S=c1[nH]nc(-c2ccccc2)n1/N=C\c1cccc(OCc2ccccc2)c1 2359622 IGLBTJHGLOHLBO-HAHDFKILSA-N 386.480 5.069 30 40 GKEB CC[C@]1(C)Oc2ccccc2[C@H]2O[C@@](C)(C#CC[N+]3(C)CCCCC3)CC[C@@H]21 4029021 RMPGUSXNDYXSIL-VHXCZSFDSA-N 382.568 5.108 30 40 GKEB Cc1sc(N/N=C/c2cc(Cl)cc(Cl)c2O)nc1-c1ccccc1 4617005 FJMIUDWXBBTDML-AWQFTUOYSA-N 378.284 5.577 30 40 GKEB N#CC1(N[C@@H](Cc2ccccc2)c2ccccc2)CCCCCCCCCCC1 5328264 VURHMTURSGMIMS-SANMLTNESA-N 388.599 7.127 30 40 GKEB O=C1N/C(=N/c2ccccc2C(F)(F)F)S/C1=C/c1cccc2ccccc12 8436611 QAGQDEJNMADELM-LDADJPATSA-N 398.409 5.750 30 40 GKEB CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccc(F)c1 9015337 OPARSPAKYAGGTC-OAQYLSRUSA-N 395.474 5.293 30 40 GKEB C[C@@H](Sc1nc(-c2ccc(C(C)(C)C)cc2)c(C#N)c(=O)[nH]1)c1ccccc1 11999923 QVPWIUGAMJDZFB-OAHLLOKOSA-N 389.524 5.459 30 40 GKEB Cc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1cccc(C(F)(F)F)c1 16284604 VYJSQICIZLJLJQ-WVFAEZDRSA-N 386.417 5.767 30 40 GKEB CCCCCCCCCCC(=O)N([C@@H](C)CC(C)C)[C@@H]1C[C@H](C)CC(C)(C)C1 104359758 HGOJUIFXBFNCIA-KMDXXIMOSA-N 393.700 7.995 30 40 GKEB C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H](/N=C\c3ccccc3)CC[C@H]12 245232160 PSKHDAPOVCIOJR-XCQBVCNJSA-N 379.588 5.878 30 40 GKEB C=CCOc1ccc(NC(=O)c2ccc(CSc3ccccc3)cc2)cc1 408574040 HPUKELJYQYEMNB-UHFFFAOYSA-N 375.493 5.796 30 40 GKEB CCN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2)SC1=Nc1ccc(F)cc1 408960086 JFUXNHINZLBNTM-OIBHPTRJSA-N 395.503 5.050 30 40 GKEB Cc1ccc(/N=C/c2ccccc2OCc2ccc(Br)cc2)cc1C 409199075 BHAISWQXMDCDJM-ZVHZXABRSA-N 394.312 6.396 30 40 GKEB Cc1cccc(C)c1NC(=O)CSc1nc2c(C)ccc(C)c2cc1C#N 1223959 YWWAVOIRZZFNFJ-UHFFFAOYSA-N 375.497 5.071 30 40 GKEB C=C(C)COc1ccc2c(=O)c(Oc3ccc(C(=O)OCC)cc3)c(C)oc2c1 2152991 IPHYOHXKGMIFOM-UHFFFAOYSA-N 394.423 5.025 30 40 GKEB biogenic Cc1ccc(/N=C/c2cc(Br)c(O)c(Br)c2)c(C)c1 5542263 SLNXDPKGZWNRAU-QGMBQPNBSA-N 383.083 5.285 30 40 GKEB C[C@@H](c1ccccc1)n1c(SCc2cccc(C#N)c2)nc2ccccc2c1=O 7251655 ADAMMVZLPADFIV-KRWDZBQOSA-N 397.503 5.170 30 40 GKEB CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)O/N=C/c1ccc(C(C)(C)C)cc1 7718637 XFCHKWBXDWQKKX-TWSXQGMXSA-N 380.532 5.875 30 40 GKEB Cc1c(Cl)cccc1N/C(S)=N/Nc1ncc(C(F)(F)F)cc1Cl 13479163 HKKJZAZBBRQYEK-UHFFFAOYSA-N 395.237 5.440 30 40 GKEB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)C#Cc1ccccc1 118915115 LZYLYVQWNIUJNH-XGYCBEGRSA-N 392.583 5.173 30 40 GKEB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4[C@H]5O[C@@H]5CC[C@]4(C)[C@H]3CC[C@@]21C 119163392 FVUXRLSHCHFWTB-RACKUSDFSA-N 386.664 7.485 30 40 GKEB CC1CCN(c2ccc([C@H](C)NC(=S)Nc3ccc(CC#N)cc3)cc2)CC1 225654963 KLWVNLSIVPTBKE-SFHVURJKSA-N 392.572 5.037 30 40 GKEB C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@H](/N=C\c3ccccc3)CC[C@H]12 245232159 PSKHDAPOVCIOJR-UDEDBLJISA-N 379.588 5.878 30 40 GKEB Cc1ccc(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)cc1Cl 409081664 QADKKCNOEBXVKG-VULFUBBASA-N 379.931 6.572 30 40 GKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3c(Cl)cccc3Cl)c2C#N)C1 409213025 NXVZIOIMGHPRNB-RQSOKRQSSA-N 391.367 6.828 30 40 GKEB Cc1cc(/C=N/c2ccc(Br)c(Cl)c2)c(C)n1-c1ccccn1 409230439 DGAFXDAHVRTIJZ-SSDVNMTOSA-N 388.696 5.656 30 40 GKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@@H]2c1ccc(Cl)cc1 4044534 GTDAMOQWZBCSDN-QFIPXVFZSA-N 387.910 6.694 30 40 GKEB COc1ccc(/C=C/C(=O)c2c(C)nc3ccc(C)cc3c2-c2ccccc2)cc1 4071042 ISWRRDOUHVZSIM-FOWTUZBSSA-N 393.486 6.423 30 40 GKEB CC/N=C1\S/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1CC 4675826 UDOREUNXLSZNTF-PZUCIDFCSA-N 389.524 5.002 30 40 GKEB C=CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccccc2)cc1 4897819 OWXHCAALULOPQF-ILBGXUMGSA-N 382.463 5.494 30 40 GKEB O=[N+]([O-])c1ccc(N/N=C2\CCC[C@H]3CC=C4CCCC[C@H]4[C@@H]23)c([N+](=O)[O-])c1 5002489 RFHIUHRDJRIZSE-BOYLVABVSA-N 384.436 5.208 30 40 GKEB N#Cc1ccccc1Sc1ccccc1C(=O)Nc1nc2ccccc2s1 6589663 ZJNWUOAFYQCDFS-UHFFFAOYSA-N 387.489 5.571 30 40 GKEB Cc1ccc(C)c(/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2)c1 8367964 TZZIGJQVYSAIPT-DHRITJCHSA-N 384.306 6.940 30 40 GKEB O/C(CN1CCc2sccc2C1)=N\c1nc(-c2cc3ccccc3o2)cs1 24114430 XYIXXFZORFCQLF-UHFFFAOYSA-N 395.509 5.264 30 40 GKEB CCCNc1c(/N=C(\O)Nc2cc(Cl)ccc2C)c(=O)oc2ccccc12 28048688 MZQASLQZCOJAGM-UHFFFAOYSA-N 385.851 5.234 30 40 GKEB COc1nc2c(c(-c3cccc(Br)c3)c1C#N)CCc1ccccc1-2 39380671 HLJWYGVPMRJXKF-UHFFFAOYSA-N 391.268 5.157 30 40 GKEB CCCCCCCCCCOC(=O)C[N+](C)(C)CCC[C@@H](O)c1ccccc1 97949434 TWXLXMCSCXBNKS-HSZRJFAPSA-N 392.604 5.261 30 40 GKEB CCCCCCCCCCCCCC/C(=N/OCc1ccccc1)C(=O)O 104331140 NDYJLBCXPSZLJJ-GYHWCHFESA-N 375.553 6.735 30 40 GKEB CCN(CC)c1ccc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)cc1 408737142 LBXGZZLGXRBJOP-NHFJDJAPSA-N 394.522 6.136 30 40 GKEB Cn1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)c2ccccc21 408816992 KLIYQCBWRXXCBL-AREMUKBSSA-N 378.475 6.005 30 40 GKEB Cc1cc(/C=N/c2cccc3ccccc23)c(C)n1-c1ccc(C(C)(C)C)cc1 408964806 FAWKFLULMGSOTF-MTDXEUNCSA-N 380.535 7.295 30 40 GKEB CC(C)CN1C(=O)/C(=C/c2ccccc2O)S/C1=N/c1ccc(Cl)cc1 409079425 FUBFKZNQFWWKEM-OADBCFLWSA-N 386.904 5.306 30 40 GKEB Clc1ccc(COc2c(Cl)cc(/C=N/c3ccccc3)cc2Cl)cc1 409199310 CFHGOHRUHVBZFB-WYMPLXKRSA-N 390.697 6.976 30 40 GKEB CCOc1ccc(/N=C\c2cccc(OCC(=O)Nc3cccc(C)c3)c2)cc1 409213255 TUCSIHVFWYGTQI-XYGWBWBKSA-N 388.467 5.162 30 40 GKEB O=C(c1cc(C(F)(F)F)ccc1Cl)C(F)(F)C(F)(F)C(F)(F)F 575360250 AHOMSNHGJIRVFH-UHFFFAOYSA-N 376.577 5.374 30 40 GKEB C=CCOc1ccccc1/C=C1\SC(Nc2ccc(CCCC)cc2)=NC1=O 6869026 RGPURSHVIBTBAN-PGMHBOJBSA-N 392.524 5.676 30 40 GKEB Cc1ccc(C)c(/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)c1 8368107 YLQJCKJTOVBOGC-ZVHZXABRSA-N 394.312 6.396 30 40 GKEB COc1ccc(-c2nc(CSc3nc(C)cc(C)c3C#N)cs2)cc1OC 8726874 CLXBVWIULPDFFH-UHFFFAOYSA-N 397.525 5.003 30 40 GKEB CCCCc1nc(N[C@@H](C)Cc2ccccc2)c(C#N)c2c1CSC(C)(C)C2 13763434 OMNVFEYZWVJZJC-KRWDZBQOSA-N 393.600 5.907 30 40 GKEB Cc1ccc(NC(=O)CSc2nc3cc(C)c(C)cc3cc2C#N)c(C)c1 35289277 UWADIKGSTLANFK-UHFFFAOYSA-N 375.497 5.071 30 40 GKEB C(=N/Nc1nc(-c2ccccc2)c2ccccc2n1)\c1cccc2cccnc12 46085307 CJBLERKJVOPDHQ-WGOQTCKBSA-N 375.435 5.291 30 40 GKEB Cc1ccc(-c2nc3ccccc3o2)cc1/N=C\c1cc([N+](=O)[O-])cc(C)c1O 100111433 ZKCNREVYXLMTQL-FMCGGJTJSA-N 387.395 5.476 30 40 GKEB CCCCCCCCC/C=C/C(=O)N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 100837400 ZBLYBBCUWIWODA-KQDNUWKFSA-N 393.593 5.306 30 40 GKEB CC1(C)COc2ccc(C(=O)/C=C/c3cccc(Br)c3)cc2OC1 225371830 WMSPNQFAWIYFBU-SOFGYWHQSA-N 387.273 5.143 30 40 GKEB C=CCOc1ccc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)cc1 225810965 VDJBAJDSENRPEM-UHFFFAOYSA-N 384.520 5.189 30 40 GKEB CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C=CC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 257345507 XIWMRKFKSRYSIJ-ZWQVUBRMSA-N 382.632 7.373 30 40 GKEB COc1cc(/C=N\c2ccccc2Cl)ccc1OCc1cccc(C(=O)O)c1 408820062 UVQXBNMRATULJE-CFRMEGHHSA-N 395.842 5.376 30 40 GKEB C=CCn1c(C)c(/C=C2\SC(=Nc3ccccc3F)NC2=O)c2ccccc21 408876002 MAXKKJZLSNSISP-MOSHPQCFSA-N 391.471 5.166 30 40 GKEB CCCN1C(=O)/C(=C/c2ccc(C)s2)S/C1=N/c1ccc(Cl)cc1 409085104 NTJWEPOGZYIVIW-FMIVOPDJSA-N 376.934 5.724 30 40 GKEB Cc1cc(/C=N\c2ccccc2O)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 409385145 ICJNOSQJBDIYSZ-FMCGGJTJSA-N 394.496 5.189 30 40 GKEB CCCCCCCCNC(=O)c1cc(-c2ccc(C)cc2C)nc2ccccc12 2082074 BFYQNVPZNJCAIR-UHFFFAOYSA-N 388.555 6.609 30 40 GKEB C=CCOc1ccccc1/C=N/c1cc(-c2ccccc2)nn1-c1ccccc1 3094770 SEVXWEOWGKRQMU-LGUFXXKBSA-N 379.463 5.855 30 40 GKEB O=C(/C=C/Sc1c(Cl)cccc1Cl)c1ccc(Br)cc1 3126163 DJMWTYLOLDOQAG-CMDGGOBGSA-N 388.113 6.245 30 40 GKEB COc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccco1 4973579 FEUJNMKRKRKATF-IZHWHUGBSA-N 386.451 5.268 30 40 GKEB O=C(/C=C/c1ccccc1OC(F)F)c1ccc(NC2=NCCCS2)cc1 6366520 DHNJXFSJCFPRNY-DHZHZOJOSA-N 388.439 5.089 30 40 GKEB Cc1ccc(/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)c(C)c1 8368657 UMUPPGQBQFKVES-ZMOGYAJESA-N 394.858 6.195 30 40 GKEB O=C(O)c1ccccc1-c1ccc(/C=N/NCc2c(Cl)cccc2Cl)o1 9196387 WXPMCWNQOHTJSQ-LSHDLFTRSA-N 389.238 5.075 30 40 GKEB CCCOc1ccc(Br)cc1/C=N/NCc1ccc(Cl)cc1 10119015 XFHZCRLUCKJDNV-CIAFOILYSA-N 381.701 5.015 30 40 GKEB Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc(I)cc1 100003647 RIRDEMSDQQBZSM-REZTVBANSA-N 392.023 5.054 30 40 GKEB C=C1C(C)(C)[C@@H]2CC[C@]1(C(=O)N1CCC(c3noc4cc(F)ccc34)CC1)C2 100773761 ZWMZPOYFNBNECF-MWTRTKDXSA-N 382.479 5.055 30 40 GKEB CC1(C)CC(=O)C(C(C2=C(O)CC(C)(C)CC2=O)c2ccc(F)cc2)=C(O)C1 100936410 DBYOXFVNEREKNV-UHFFFAOYSA-N 386.463 5.312 30 40 GKEB C=CCN1C(=O)S/C(=C\c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)C1=O 208469137 OLKAIIJYRFADJS-MFOYZWKCSA-N 388.920 5.194 30 40 GKEB O=C(O)c1cc(N/N=C/c2ccc(-c3ccc(F)cc3F)o2)ccc1Cl 408605973 ZPMPKTGTVNZFAD-LSFURLLWSA-N 376.746 5.022 30 40 GKEB CCOc1ccc(/C=C2/S/C(=N\c3ccccc3CC)N(CC)C2=O)cc1 408910572 IPQDDIPJLHEXBY-OCIPIQTLSA-N 380.513 5.272 30 40 GKEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/c2ccc(-c3ccccc3)cc2)o1 408963379 ZFAPUGDNWYLKGW-WGOQTCKBSA-N 381.431 6.371 30 40 GKEB CCN1C(=O)/C(=C\c2ccc(OC(C)C)cc2)S/C1=N/c1ccc(OC)cc1 409255437 ZTDCFNCMOYWQIR-XATRHVNRSA-N 396.512 5.106 30 40 GKEB C=C(C)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)C[C@H](C)CC3 1269099 SVKGDDRLWYATID-OAHLLOKOSA-N 396.581 5.299 30 40 GKEB N#Cc1c(SCc2ccc(Cl)cc2)nsc1Nc1ccc(Cl)cc1 1572104 ZXJUCCWALBELIZ-UHFFFAOYSA-N 392.336 6.357 30 40 GKEB CCCCCCCCCn1c(NCc2cc(Cl)ccc2O)nc2ccccc21 1832475 ZYOMVMSPRQITJN-UHFFFAOYSA-N 399.966 6.758 30 40 GKEB CC(C)n1c(S[C@H](C)C(=O)N(CCC#N)c2ccccc2)nc2ccccc21 8618332 BHLLGKOXFJIKOJ-QGZVFWFLSA-N 392.528 5.045 30 40 GKEB C=CCOc1cccc(NC(=O)c2ccccc2SCc2ccccc2)c1 10333126 HYWKVBIEIDQROD-UHFFFAOYSA-N 375.493 5.796 30 40 GKEB C=CCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN23)cc1 13785719 XIOHHPKZKILMLK-NOZRDPDXSA-N 382.463 5.494 30 40 GKEB Cc1ccc(CN2CCN(/N=C/c3cccc(Oc4ccccc4)c3)CC2)c(C)c1 19800702 NQZXIRJMWCQASE-ZXVVBBHZSA-N 399.538 5.247 30 40 GKEB CCCCCCCCCCOc1ccc(NC(=O)Nc2ccc(CC)cc2)cc1 98043298 ZEAFQGGDZNNZLD-UHFFFAOYSA-N 396.575 7.413 30 40 GKEB N#CCCCCCCCCCCC(=O)OCc1cccc(Oc2ccccc2)c1 98174856 PRIVCJLLTIHZMM-UHFFFAOYSA-N 393.527 6.947 30 40 GKEB C=CC[N+]1(CCCCCCCCCCCCCCCC)C[C@H]2CCCC[C@@H]2C1 104377633 GRILYUYBBYWNKB-KAYWLYCHSA-N 390.720 8.291 30 40 GKEB N#Cc1cn(C(=O)c2ccc(-c3cccc(Br)c3)o2)c2ccccc12 226361763 BOIIKYNGDQHGLE-UHFFFAOYSA-N 391.224 5.224 30 40 GKEB Cc1ccc(-c2nc3cc(NC(=O)c4ccc(C#N)cc4F)ccc3o2)c(C)c1 408621165 KANZSWIDBPXMHQ-UHFFFAOYSA-N 385.398 5.375 30 40 GKEB Fc1ccc(/N=C/c2cc(Br)c(Br)o2)cc1Cl 408844584 KJPSDWMBSBMVRS-FZSIALSZSA-N 381.426 5.348 30 40 GKEB Fc1cccc(-c2ccc(/C=N\c3ccccc3I)o2)c1 409017344 ZCJABGPVNXFTEJ-JAIQZWGSSA-N 391.183 5.441 30 40 GKEB Cc1ccc(/N=C\c2cccc(OS(=O)(=O)c3ccccc3)c2)cc1Cl 409202554 RKLAWGGXWILXKG-HMAPJEAMSA-N 385.872 5.167 30 40 GKEB Cc1sc(-n2c(C)cc(/C=N/c3ccc4c(c3)OCO4)c2C)c(C#N)c1C 1098496 BPUGMQUNZWLNHG-AUEPDCJTSA-N 377.469 5.123 30 40 GKEB O=[N+]([O-])c1cc(/C=N/c2ccc3nc(-c4ccccc4)[nH]c3c2)ccc1Cl 1434939 NLXIRKIRBQQRMB-WSDLNYQXSA-N 376.803 5.542 30 40 GKEB FC(F)(F)c1nc2ccccc2nc1N/N=C/c1c(Cl)cccc1Cl 5519414 MMWRPDZNOPFAAH-GZIVZEMBSA-N 385.176 5.401 30 40 GKEB O=C(O/N=C1\CCCc2oc3c(c21)CCCC3)c1ccc(Cl)c(Cl)c1 5756722 FQGVRTZUAVLVJK-PXLXIMEGSA-N 378.255 5.363 30 40 GKEB C[C@H]1C[C@H](N(CCC#N)C(S)=Nc2cccc3ccccc23)CC(C)(C)C1 6481470 RUODPUXJTGTBHK-HKUYNNGSSA-N 379.573 6.188 30 40 GKEB Cc1ccc([C@@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3nc4ccccc4n32)cc1 7495939 BKZHMKTYFVEVJV-MZNJEOGPSA-N 395.462 5.353 30 40 GKEB Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/NCc2ccc(Cl)cc2)c1C 10118960 MRGUDMDYFCBAFZ-ZMOGYAJESA-N 396.878 5.088 30 40 GKEB C=CCOc1ccc(/C=C2/SC(=S)N([C@H](C)c3ccccc3)C2=O)cc1 18102598 MESAXWLEEXTUOR-WBFOAEISSA-N 381.522 5.214 30 40 GKEB Oc1ccc(Cc2ccccc2Cl)cc1/C=N/Nc1nc2ccccc2s1 41074065 LYBABZDUMVUXKT-YDZHTSKRSA-N 393.899 5.692 30 40 GKEB CCCCCCCOc1ccc(C(=O)Nc2cc(-c3ccc(C)cc3)no2)cc1 98048192 WICIKYXPTYIXJW-UHFFFAOYSA-N 392.499 6.252 30 40 GKEB O=C(/C=C/Nc1ccc(OC(F)(F)F)cc1)c1cc(Cl)sc1Cl 100409227 MVFZXJBOCMIMKP-AATRIKPKSA-N 382.190 5.762 30 40 GKEB C=CCN1C(=O)/C(=C/c2cc(C)n(-c3c(C)cccc3CC)c2C)SC1=S 408962273 XXLPQDKSZSGIPG-UYRXBGFRSA-N 396.581 5.352 30 40 GKEB CCCN1C(=O)/C(=C/c2cc(C)n(C)c2C)S/C1=N/c1ccc(Cl)cc1 409084782 XPGGLAPVNPAIJI-CFDZAGTRSA-N 387.936 5.309 30 40 GKEB CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccc([N+](=O)[O-])cc2C)cc1OC 409375417 KLWNHVMCJALPBH-PUFAJPFRSA-N 376.840 5.493 30 40 GKEB CCOc1cc2c3c(c1)/C(=N\c1ccc(Cl)cc1)C(=O)N3C(C)(C)C=C2C 4740385 LJKFMUWFYVZIHV-LYBHJNIJSA-N 380.875 5.402 30 40 GKEB C=CCn1c(SCc2ccc(C)cc2)nnc1-c1cc2cccc(OC)c2o1 6502037 BQNAGKKOLPMZCE-UHFFFAOYSA-N 391.496 5.487 30 40 GKEB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccc(C2CCCCC2)cc1 11690107 SXCLTKFGJCJHMM-JQIJEIRASA-N 390.910 7.544 30 40 GKEB C=CCOc1ccccc1[C@H]1CC(O)=Nc2c1c(C)nn2-c1cccc(F)c1 13552957 UUIOLIZUXWVCRM-GOSISDBHSA-N 377.419 5.008 30 40 GKEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccncc2)cc1 18106986 JPSRTIPVKBXNMI-CJAUYULYSA-N 397.478 5.070 30 40 GKEB biogenic,in-vitro CC(C)c1ccc2nc(SCC(=O)Nc3ccc(F)cc3)c(C#N)cc2c1 35288894 WHLCFQHBTBOZLX-UHFFFAOYSA-N 379.460 5.100 30 40 GKEB COc1ccc2c(c1)CCc1sc(/N=C/c3c(Cl)cccc3Cl)nc1-2 59459303 ILVCDWCLRXSBQO-LSHDLFTRSA-N 389.307 5.975 30 40 GKEB Cc1ccc(N/C=C/C(=O)[C@H](C)Oc2ccc(-c3ccccc3)c(F)c2)cc1 100096485 FZXVYRIIXGQFBE-JJJPLKNQSA-N 375.443 5.763 30 40 GKEB O=C(Nc1ccc(/N=C/c2cc(Cl)ccc2O)cc1)c1cccc(Cl)c1 105883001 CNJOJMGLYPAJFZ-FSJBWODESA-N 385.250 5.702 30 40 GKEB N=C1S/C(=C\c2c3ccccc3cc3ccccc23)C(=O)[C@H]1c1nccs1 137410789 XOZXQVPQVBCLGZ-LIKCCPTGSA-N 386.501 5.867 30 40 GKEB C=CCOc1ccc(CNc2ccc(Br)cc2C)cc1OCC 408607266 JLPRKVBWODDDRG-UHFFFAOYSA-N 376.294 5.333 30 40 GKEB COc1ccc(Cl)cc1C(=O)O/N=C(/Cc1ccccc1)c1cccs1 409052057 FWFOTLBLHDMNBR-XLNRJJMWSA-N 385.872 5.214 30 40 GKEB Cc1cc([N+](=O)[O-])ccc1/N=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1 409239959 OVMLYHLALMDXJH-QFEZKATASA-N 387.414 5.796 30 40 GKEB N#Cc1c(NC(=O)c2ccc(F)cc2)oc(-c2ccccc2)c1-c1ccccc1 843501 GXTLOFFLHJPKPM-UHFFFAOYSA-N 382.394 5.877 30 40 GKEB Cc1cccc2oc(-c3ccc(/N=C/c4ccc(Cl)c(Cl)c4)cc3)nc12 3115248 PHLAOJSSNLXMOF-WYMPLXKRSA-N 381.262 6.861 30 40 GKEB CCOc1ccc(NC(=S)N/N=C/c2cccc(Oc3ccccc3)c2)cc1 3282116 RMZKCDSCLVMPPP-XQNSMLJCSA-N 391.496 5.198 30 40 GKEB CC[C@]1(C)Oc2ccccc2[C@H]2O[C@](C)(C#CC[N+]3(C)CCCCC3)CC[C@@H]21 4029020 RMPGUSXNDYXSIL-QVQNZMNRSA-N 382.568 5.108 30 40 GKEB C=C1CC[C@@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CN(C)C 4044544 WCLKYLGRZRHNEF-SJROBZAFSA-N 387.564 5.226 30 40 GKEB biogenic N#Cc1ccc(C(=O)/C=C/c2cccc(/C=C/C(=O)c3ccc(C#N)cc3)c2)cc1 5943723 ZETCIVGEOMYJRF-VOMDNODZSA-N 388.426 5.222 30 40 GKEB C=CCn1c(SCc2csc(-c3ccccc3)n2)nnc1-c1occc1C 6949380 JSNVMTGTWNGFLP-UHFFFAOYSA-N 394.525 5.448 30 40 GKEB COc1ccc(SCCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 7790286 IOYVHMSGSWCUGS-UHFFFAOYSA-N 386.542 5.018 30 40 GKEB Clc1ccc(CN/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)cc1 10119020 QOADVVONDYDWSD-AFUMVMLFSA-N 385.294 5.696 30 40 GKEB Cc1nc(-c2cccnc2)sc1C(=O)/C=C/c1ccc(Cl)cc1Cl 16957619 ZIEQDCXJDPTYMX-FNORWQNLSA-N 375.280 5.716 30 40 GKEB N#Cc1c(/N=C/c2ccc(F)cc2)sc(-c2ccccc2)c1-c1ccccc1 18066315 DHIPRKPWALODEU-JVWAILMASA-N 382.463 6.843 30 40 GKEB Cc1cc(N(CCC#N)CCC#N)ccc1/N=N/c1cc(Cl)ccc1Cl 18208915 YOLIPHNSVNCXLF-OCOZRVBESA-N 386.286 6.351 30 40 GKEB Clc1ccc(-c2csc(N/N=C/c3ccccc3Cl)n2)c(Cl)c1 59193689 RGRVOENYZYHVHA-DNTJNYDQSA-N 382.703 6.216 30 40 GKEB CCc1ccc(N=C2NC(=O)/C(=C/c3cccc(C(F)(F)F)c3)S2)cc1 408755346 KMVGCKNHTMFSRF-WJDWOHSUSA-N 376.403 5.159 30 40 GKEB CCCOc1ccccc1/C=C1/S/C(=N\c2ccc(C)cc2)N(CC)C1=O 408907290 AQRHYZASMFBYKZ-OCIPIQTLSA-N 380.513 5.408 30 40 GKEB CCCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC)C2=O)cc1 408909570 VHGAABXIJUEWDG-OCIPIQTLSA-N 380.513 5.408 30 40 GKEB Cc1cc(/C=N\c2ccc3ccccc3c2)c(C)n1-c1ccc2ncccc2c1 408965496 HZKZDCFBIOKTDJ-QRQIAZFYSA-N 375.475 6.546 30 40 GKEB Clc1ccc(Sc2ccc(/C=N\c3cccc(Cl)c3Cl)s2)cc1 409021397 FPACCOCAERMRKA-FBHDLOMBSA-N 398.767 7.610 30 40 GKEB COc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1OC 2741459 OGRSJHHXFXCVKH-CQSZACIVSA-N 398.528 5.040 30 40 GKEB Cc1ccc(Sc2[nH]c(-c3ccccc3)nc2/C=N/Nc2ccccc2)cc1 4002502 WIDMSJKRIJJLJN-LFVJCYFKSA-N 384.508 5.982 30 40 GKEB COc1cc(/C=N/Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1O 4410039 FPZFHLQKYGFLNW-DNTJNYDQSA-N 394.283 5.277 30 40 GKEB CCOc1ccc(C(=O)/C(=C\c2ccc(C)cc2)c2nc3ccccc3o2)cc1 5012034 BBPBSGWBOORDDN-LTGZKZEYSA-N 383.447 5.958 30 40 GKEB CC[C@H](C)c1ccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 7079964 JGYHBIJQEKLTSK-CABCVRRESA-N 382.529 5.276 30 40 GKEB C=CCn1c(Cc2ccccc2)nnc1SCc1ccc(Cl)c(Cl)c1 14091444 ZNVMMDDEFNGFAV-UHFFFAOYSA-N 390.339 5.654 30 40 GKEB C=CC(=O)N(c1ccccc1C)[C@H](C#N)c1ccccc1OCc1ccccc1 16848748 JLUXDAHKCTUXTD-HSZRJFAPSA-N 382.463 5.358 30 40 GKEB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=S)Nc3ccccc3)c2C)c1 28217522 QCCDNXRADUJJON-OEAKJJBVSA-N 376.529 5.031 30 40 GKEB CCN(C(=O)CSc1nc(-c2ccc(C)cc2)ccc1C#N)c1ccccc1 33011152 ZZYZOYJUHNARKC-UHFFFAOYSA-N 387.508 5.074 30 40 GKEB Oc1ccc(Br)cc1/C=N/c1ccc(Cl)cc1C(F)(F)F 44835898 GCPJONJCHYSPSV-IFRROFPPSA-N 378.575 5.578 30 40 GKEB CCCCCCCCCCCC1=C(O)/C(=N\c2c(C)cccc2C)C=C(O)C1=O 85340902 RSZYLCHAJLMPHE-QLYXXIJNSA-N 397.559 7.134 30 40 GKEB biogenic,in-vitro CCCCCCCc1ccc(-c2nc(C3CCC(CCCC)CC3)no2)cc1 98044821 NCXLTGIZWWDXSB-UHFFFAOYSA-N 382.592 7.714 30 40 GKEB C=CCOc1cccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(C)C2=O)c1 101312681 XOSUFAQAESSCDF-YISMEOAQSA-N 384.888 5.139 30 40 GKEB CCN1c2ccc(/C=N/c3ccc(Br)cc3)cc2[C@H](C)CC1(C)C 198099633 LWLBLHJRJDGMQJ-QKIXXSFTSA-N 385.349 6.312 30 40 GKEB C=CCOC(=O)c1cc(Cl)c2[nH]c(-c3ccc(Cl)c(Cl)c3)nc2c1 226344832 XHLMEUXUPUJLFI-UHFFFAOYSA-N 381.646 5.533 30 40 GKEB CCOc1cc(/C=N/OCc2ccccc2C#N)ccc1OCc1ccccc1 408592593 MUHFNRUVOMENOT-WGOQTCKBSA-N 386.451 5.087 30 40 GKEB CCN(CC)c1ccc(/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1 409234759 YAPJPWUZEDTAFH-VEILYXNESA-N 399.513 6.426 30 40 GKEB COc1ccccc1/C=C/C(=O)C(C(=O)c1ccccc1)=C1SCCCS1 1090220 PCNORUGDRPCSQA-OUKQBFOZSA-N 396.533 5.242 30 40 GKEB O=C(Oc1oc(-c2ccccc2)nc1/C=N/c1ccc(Cl)cc1)c1ccco1 1103098 LLGHRAIEEZZYAE-YDZHTSKRSA-N 392.798 5.558 30 40 GKEB CCCCc1ccc(-n2c(C)cc(C=C3C(=O)c4ccccc4C3=O)c2C)cc1 2080333 CTNYYZNMVMTUME-UHFFFAOYSA-N 383.491 5.899 30 40 GKEB Fc1c(F)c(F)c2oc(CSc3cccc(C(F)(F)F)c3)cc2c1F 2155423 DEIOJBPCZMWGPS-UHFFFAOYSA-N 380.284 6.300 30 40 GKEB Cc1ccc2nc(-c3cc(/N=C/C=C/c4ccc([N+](=O)[O-])cc4)ccc3O)oc2c1 2756878 LFATVESGTYMWRE-ROSRGIBJSA-N 399.406 5.833 30 40 GKEB Cc1c(Cl)cccc1N/N=C(/C#N)c1nc(-c2ccc(Cl)cc2)cs1 4175543 CLVVWDFNWQJWHX-JLPGSUDCSA-N 387.295 5.765 30 40 GKEB O=C(O)/C=C/c1cccc(/N=C/c2cn(Cc3ccccc3)c3ccccc23)c1 4551637 HSFNBMAKXWTJQE-VEWPFPSHSA-N 380.447 5.538 30 40 GKEB Cc1nc2ccccc2n1CCCC#CC#CCCCn1c(C)nc2ccccc21 4649842 WQULXASPHWJRMV-UHFFFAOYSA-N 394.522 5.270 30 40 GKEB O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccc(O)cc1)Nc1ccccc1N2 5092444 WWAVCBOISREDOL-CJAUYULYSA-N 382.463 5.372 30 40 GKEB CCN(CC)c1ccc(/C=N/c2ccc(/N=N/c3ccc(C#N)cc3)cc2)cc1 5979309 WWUOITNKDRXXRQ-ARLIEJOZSA-N 381.483 6.570 30 40 GKEB Cc1c(/C=N/c2ccc(Cl)cc2Cl)c(O)n2c(nc3ccccc32)c1C#N 6187673 JKUAPQABEAYUQG-YSURURNPSA-N 395.249 5.431 30 40 GKEB C/C(=C\c1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc(Br)cc1 6626563 GTXAGRNGKBHRGQ-CSKARUKUSA-N 380.625 5.297 30 40 GKEB CCOc1cc(/C=N/c2ccc(C)cc2C)ccc1OCc1ccccc1Cl 6961580 OIAVPTMNVWPCNO-CVKSISIWSA-N 393.914 6.685 30 40 GKEB COc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)cc1 8116424 DAKHALKXIJZARH-DHRITJCHSA-N 399.849 5.826 30 40 GKEB Cc1cccc(OCc2ccc(-c3nc(C#N)c(NCc4ccccc4)o3)o2)c1 12418994 KALVPCSMSUIDMB-UHFFFAOYSA-N 385.423 5.306 30 40 GKEB C[C@@H](NC(=O)/C=C/c1cn(CCC#N)c2ccccc12)c1cccc2ccccc12 15741470 XBSBGPKCLRCGSM-JUWJPQTCSA-N 393.490 5.599 30 40 GKEB O=C1CCCC2=C1[C@@H](c1ccco1)N(Cc1cccc(F)c1)c1ccccc1N2 15826353 FUVMXFJIEPHZHU-XMMPIXPASA-N 388.442 5.599 30 40 GKEB O=C1C=C/C(=C(\c2ccccc2)c2ccccc2Br)c2ccccc21 33347663 QPGPOCQMPVAMJJ-NMWGTECJSA-N 387.276 6.161 30 40 GKEB CCCCCCCOc1ccc(/C=C2\C(=O)ON=C2c2ccc(Cl)cc2)cc1 100732381 SVDZXQYRKBCTQR-PGMHBOJBSA-N 397.902 6.034 30 40 GKEB CCCCCCCCCCCCCCCCCC1=NN(c2ccccc2)C(=O)C1 100998483 HLYDIVFXTLOWCG-UHFFFAOYSA-N 398.635 8.041 30 40 GKEB CC(=O)[C@@H]1[C@H](c2ccccc2F)C(=C(/C)O)/C(=N/c2ccc(C)cc2)C[C@]1(C)O 101406894 DIANDPRMUBIILF-LTHRQQGRSA-N 395.474 5.182 30 40 GKEB CC(C)(O)C#CC[C@H]1C[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 104832926 FSEWYBKECRKVOT-QILRFPOHSA-N 396.956 5.003 30 40 GKEB CCCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1C#N 225762799 PMUXEZPGNHJKLG-UHFFFAOYSA-N 394.490 5.717 30 40 GKEB C=CCn1c(CCCCCCC)nnc1SCC(=O)Nc1ccccc1C 408561733 KQIMQKRRNSUUAH-UHFFFAOYSA-N 386.565 5.016 30 40 GKEB CC(C)(C)c1ccc(/C=N/n2cnnc2SCc2ccccc2Cl)cc1 1917905 QFKYHHFAAFOWJK-FSJBWODESA-N 384.936 5.404 30 40 GKEB Cc1cc(C)c2nc(SCC(=O)Nc3ccc(C)c(C)c3)c(C#N)cc2c1 4849151 CTIMWRSNVKOZNX-UHFFFAOYSA-N 375.497 5.071 30 40 GKEB Cc1ccc(C)c(/N=C/c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)c1 8368021 VSYFYERGBZSYIZ-AFUMVMLFSA-N 392.886 5.725 30 40 GKEB C=C(C)COc1ccc(-c2n[nH]c(C)c2Oc2ccccc2OCC)c(O)c1 8969254 RNNRDHHGJUKRJF-UHFFFAOYSA-N 380.444 5.237 30 40 GKEB N#Cc1ccc(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)c(C(F)(F)F)c1 84392872 YUJABSWHYUGLOG-LJQANCHMSA-N 394.824 5.180 30 40 GKEB CCOc1cccc(/C=N/c2ccc3nc(-c4ccc(CC)cc4)oc3c2)c1O 98086889 DUSSNVBJVKQEKI-MFKUBSTISA-N 386.451 5.912 30 40 GKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3cccc(OC)c3)c2C)cc1 100212100 IXLXLNORIKXUCJ-BUVRLJJBSA-N 376.456 5.030 30 40 GKEB CCOc1ccc(-n2c(C)cc(/C=N/c3ccc(NC(C)=O)cc3)c2C)cc1 138542342 REMRZICGCQBVGT-BUVRLJJBSA-N 375.472 5.202 30 40 GKEB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CCC4=C(CC[C@@]4(C)C#CCl)[C@H]3CC[C@@]2(C)C1 253617256 FNGHATOLMPZLFG-BPOCJVMZSA-N 388.979 6.231 30 40 GKEB COc1ccc(C(=O)/C=C/c2cc(C)n(-c3ccc(C)c(Cl)c3)c2C)cc1 408663254 RPVOVNRPZMFYTR-XYOKQWHBSA-N 379.887 5.961 30 40 GKEB CC[C@@H](C)N1C(=O)/C(=C\c2ccc(OC)cc2)S/C1=N\c1ccc(C)cc1 408909151 GEMFRVWWELOVKS-SGOKGXKRSA-N 380.513 5.406 30 40 GKEB COc1ccc2c(c1)Cc1sc(/N=C\c3ccc(Br)cc3)nc1-2 409053899 DJECKJVPDKUCOO-JMIUGGIZSA-N 385.286 5.236 30 40 GKEB Cc1ccc(/C=N\c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1[N+](=O)[O-] 409087993 DJCQFTAMIMQSAQ-HQXWYHRWSA-N 381.501 5.738 30 40 GKEB Cc1ccc(-c2nc3ccccc3c(=O)n2/N=C/c2cccc3ccccc23)cc1 1572525 LBQQXGVSCFLPLD-WPWMEQJKSA-N 389.458 5.407 30 40 GKEB CC(=C/c1ccccc1)/C=C1\S/C(=N\c2ccccc2C(F)(F)F)NC1=O 2232540 OGCBAXBGSMUZBR-RQGFIEOQSA-N 388.414 5.543 30 40 GKEB CC[C@H](C)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 2738392 GKBLBLUMSHRFAY-QMMMGPOBSA-N 395.265 5.607 30 40 GKEB COc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1OC 2741458 OGRSJHHXFXCVKH-AWEZNQCLSA-N 398.528 5.040 30 40 GKEB C=CCNC(=O)c1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1 3469558 OTFQREUTUBCYFN-UHFFFAOYSA-N 388.414 5.412 30 40 GKEB O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1cccc([N+](=O)[O-])c1 4537189 NAHXGHRLMBURLN-VMPITWQZSA-N 398.758 5.313 30 40 GKEB Cc1ccccc1CN1C(=O)[C@H](C)S/C1=N/N=C/c1cccc2ccccc12 4914702 MPHAHWLFVVSQTN-SVJCCZHLSA-N 387.508 5.002 30 40 GKEB N#Cc1ccc(-c2csc(NC(=O)c3ccc(Oc4ccccc4)cc3)n2)cc1 5165446 CHCMPRFTZWYZQD-UHFFFAOYSA-N 397.459 5.726 30 40 GKEB C(=N/N(Cc1ccccc1)c1ccccc1)\c1c2ccccc2cc2ccccc12 6475020 RJWVCYRTFFOCDP-ZTKZIYFRSA-N 386.498 7.034 30 40 GKEB Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)C[C@@H]1C[C@@H]2CC[C@@H]1C2 102810288 HGTLEWYPYWLQSE-NJYVYQBISA-N 376.475 5.365 30 40 GKEB Cc1ccc(Cc2nc(SCc3cccc4ccccc34)nc(N)c2C#N)cc1 223673634 NCHZFIOAKLACLR-UHFFFAOYSA-N 396.519 5.275 30 40 GKEB CCCCCC(=O)NC(=S)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 408628951 YOYOACPFNDBKHM-ZDUSSCGKSA-N 391.606 5.164 30 40 GKEB Clc1cccc(/N=C\c2cccn2-c2ccc(Br)cc2)c1Cl 408854818 BUPWPUFUSLGKGP-NHDPSOOVSA-N 394.099 6.297 30 40 GKEB N#Cc1cccc(Oc2ccc(Cl)c(Oc3cccc(C#N)c3C#N)c2)c1C#N 991782 ROZMWIRYWOTKSC-UHFFFAOYSA-N 396.793 5.411 30 40 GKEB C(#CC[N+]1(Cc2ccccc2)CCCCC1)CC(c1ccccc1)c1ccccc1 1791686 XMENFJQSPATBIB-UHFFFAOYSA-N 394.582 6.413 30 40 GKEB CSC1=N/C(=N\c2ccccc2)C2(CCCCC2)N1c1ccc(Cl)cc1 4475019 VHZNKZYDSJVAGY-NMWGTECJSA-N 383.948 6.312 30 40 GKEB C=CCN(C(=O)c1cccc(Cl)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 6510585 DJHPPZMJOOBPLN-UHFFFAOYSA-N 399.859 5.205 30 40 GKEB CCn1cc(/C=C2/Oc3cc(OC(=O)C(C)(C)C)ccc3C2=O)c2ccccc21 9422317 BDZPPRNGNIUPKV-CIAFOILYSA-N 389.451 5.229 30 40 GKEB C/C(=N\Nc1nc(-c2ccccc2)cs1)c1ccc(OCc2ccccc2)cc1 9667253 RMHLKGGVCNOCRR-NLRVBDNBSA-N 399.519 6.225 30 40 GKEB Cc1ccccc1Cn1cc(/C=N/NCc2ccc(Cl)cc2)c2ccccc21 10118878 SXVUMWKNJLPYAP-JFLMPSFJSA-N 387.914 5.775 30 40 GKEB C/C(=C\C(=O)c1ccc(Br)cc1)Nc1ccc(Br)cc1 15938274 FNBHUQXPLKMGNM-ZHACJKMWSA-N 395.094 5.410 30 40 GKEB CSc1nc(Nc2cccc(C(F)(F)F)c2)c(C#N)c(-c2ccccc2)n1 33325302 OVVMMZFTDMMEQK-UHFFFAOYSA-N 386.402 5.500 30 40 GKEB O=C1N/C(=N\c2ccc(Cl)c(Cl)c2)S/C1=C/c1ccccc1Cl 35647388 OFMOFXSCANQWTE-VGOFMYFVSA-N 383.687 5.538 30 40 GKEB COC(=O)c1cc(/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)ccc1Cl 59426930 GQMKOJXSSOXOTB-DHRITJCHSA-N 394.902 5.902 30 40 GKEB N#C[C@H](C(=O)[C@H]1C[C@H]1c1ccccc1F)c1nc(-c2c(F)cccc2F)cs1 68349356 CBNMIMUINOTILX-MELADBBJSA-N 398.409 5.207 30 40 GKEB Cc1cccc(N2C(=O)C(=O)/C(=C(O)\C=C\c3ccccc3)[C@H]2c2ccccc2)c1 102884594 HGJRIYVIAIVCTE-MXTUDFRFSA-N 395.458 5.178 30 40 GKEB CN(C)c1ccc(-c2nc3cc(N=Cc4ccc([N+](=O)[O-])cc4)ccc3o2)cc1 254488281 CVAMOBTXTRREQY-UHFFFAOYSA-N 386.411 5.220 30 40 GKEB CCCCCCCCOc1ccc(C(=O)Nc2cccc3ccccc23)cc1 408586566 NXDJLCOKNLNATK-UHFFFAOYSA-N 375.512 6.831 30 40 GKEB CCc1ccc(/N=C/c2cccc(OC)c2OCc2ccc(C(=O)O)cc2)cc1 409188870 HBGNOAZMVMBFBJ-MFKUBSTISA-N 389.451 5.285 30 40 GKEB COc1ccc([C@H]2C[C@@H]2/C(=N/OC(=O)c2cccs2)c2ccccc2)cc1 1389527 JSQYHPONISJPOF-FZVFMAQTSA-N 377.465 5.122 30 40 GKEB CCCC/N=C1\S/C(=C\c2ccc(Br)cc2)C(=O)N1CCCC 5552241 QVBXEHFFCQVVKB-ISRZJSKBSA-N 395.366 5.322 30 40 GKEB COc1cc(/C=N/c2ccccc2)cc(Br)c1OCc1ccccc1 8111183 PGTWPCFJTOPASO-OEAKJJBVSA-N 396.284 5.787 30 40 GKEB Cc1ccc(/N=C/c2cc(Br)ccc2OCc2ccccc2F)cc1 8371841 AQGZIRKBLXSYPR-ZMOGYAJESA-N 398.275 6.226 30 40 GKEB CCCCc1ccc(N2CCc3c(C)c(C#N)c4nc5ccccc5n4c32)cc1 12648638 HRHPUXMMOFQXEG-UHFFFAOYSA-N 380.495 5.704 30 40 GKEB CCCCCCCCCCCCC/C=C\[C@H](O)[C@@H](CO)NC(=O)CCCCC 85482562 NPRJSFWNFTXXQC-DRZTYOFYSA-N 397.644 5.662 30 40 GKEB C=CCN1C(=O)/C(=C/c2cc3c(cc2C)N(C)C(C)(C)C[C@H]3C)SC1=S 208228435 FZOBFIQLGOITRD-JVVDOCDTSA-N 386.586 5.104 30 40 GKEB N#Cc1ccccc1CO/N=C/c1ccccc1OCc1cccc2ccccc12 408596657 SQGZQKDEMWXDCI-OGLMXYFKSA-N 392.458 5.841 30 40 GKEB CC(C)COc1ccccc1/C=C1\SC(=Nc2ccccc2Cl)NC1=O 408602367 MXMGBQFNFFTTDZ-WQRHYEAKSA-N 386.904 5.266 30 40 GKEB Cc1ccc(/N=C2\S/C(=C/C=C/c3ccccc3)C(=O)N2CC(C)C)cc1 408916018 SXZKHSOYLBTDKD-AJQYZBQHSA-N 376.525 5.811 30 40 GKEB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2/N=C\c1ccccc1 2038406282 PSKHDAPOVCIOJR-PTTZUBICSA-N 379.588 5.878 30 40 GKEB O=c1oc2ccccc2cc1-c1ccc(/N=C/c2cc(Cl)ccc2O)cc1 1054656 YFQSKNMHRGODJV-ZMOGYAJESA-N 375.811 5.570 30 40 GKEB COc1ccccc1[C@H]1C2=C(CC(C)(C)CC2=O)Nc2c1ccc1ncccc21 1078379 DPUPJRVOBXOWPH-JOCHJYFZSA-N 384.479 5.444 30 40 GKEB C=CCOc1ccc(/C=C2\SC(=S)N(c3ccccc3Cl)C2=O)cc1 1833122 WPTBZGJNDQTRHE-ATVHPVEESA-N 387.913 5.311 30 40 GKEB O=C(Nc1ccccc1OC(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2658653 RPKZVPLWUGZSCU-UHFFFAOYSA-N 399.237 5.578 30 40 GKEB CCN(CC)c1ccc2c(C)c(/N=C/c3cccc4ccccc34)c(=O)oc2c1 3021399 CKNLOUOYRDZCIF-WGOQTCKBSA-N 384.479 5.851 30 40 GKEB COc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)C(C)(C)CC3)cc1 3168616 XUAWBYDUAXJPHN-DEOSSOPVSA-N 383.491 6.158 30 40 GKEB C/C(=N\OC(=O)Nc1ccc(C)cc1)c1sc(-c2ccc(Cl)cc2)nc1C 4085478 OVQLPDQQVDQWTL-ZVHZXABRSA-N 399.903 6.053 30 40 GKEB COc1ccc(Br)cc1/C=N/c1sc2c(c1C#N)CCCC2 5360906 KUXUIGDBIROYOJ-KEBDBYFISA-N 375.291 5.020 30 40 GKEB N#Cc1c(NC(=O)CCCSc2ccc(Cl)cc2)sc2c1CCC2 10218161 XKGYDFGCLOOPFN-UHFFFAOYSA-N 376.934 5.273 30 40 GKEB N#Cc1c(N)cc2c(c1-c1ccc(Cl)cc1)CC/C2=C\c1ccc(Cl)cc1 39379267 BRDITZXDAMLTLG-LFIBNONCSA-N 391.301 6.601 30 40 GKEB CC1(C)CC(=O)C(C(C#Cc2ccccc2)C2=C(O)CC(C)(C)CC2=O)=C(O)C1 84415970 QXCQIANZEOKUIY-UHFFFAOYSA-N 392.495 5.057 30 40 GKEB CC(C)/N=c1/scc(-c2cccs2)n1/N=C/c1ccc(Cl)cc1Cl 103454295 CHSPXEOECXFMFI-ZPOBTFBFSA-N 396.368 5.776 30 40 GKEB CCCCCCCC/C=C/CCCCCCCC(=O)O[C@@H](C)CC(=O)N(C)C 104109699 YPGHOOFZSDFRBX-GNNUASRNSA-N 395.628 6.434 30 40 GKEB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(C=C3C(=O)c4ccccc4C3=O)cc21 113778142 VHLHXMDGWYEYJB-ZDUSSCGKSA-N 379.887 5.525 30 40 GKEB CC[C@@H](C)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 147405469 TUMPFZQSTILVHD-RXMQYKEDSA-N 388.192 5.243 30 40 GKEB C=CCN1C(=O)S/C(=C\c2cc3c(cc2C)N(CC)C(C)(C)C[C@H]3C)C1=O 208326223 IQGBAQWSSXOORI-VUFYJBQKSA-N 384.545 5.329 30 40 GKEB C=CCOC(=O)c1cc(Cl)c(Cl)c(-c2cc3ccccc3oc2=O)c1 226357698 QOJYOURTZBXNHV-UHFFFAOYSA-N 375.207 5.110 30 40 GKEB CCc1ccc2oc(-c3cccc(NC(=O)c4ccc(C#N)cc4F)c3)nc2c1 408628694 WCEFZHCAPKVQPM-UHFFFAOYSA-N 385.398 5.320 30 40 GKEB CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1 408943958 SWEHTJWOVUMFOE-GLTSGNHPSA-N 394.518 6.662 30 40 GKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3cccc(Cl)c3C)c2C)c1 408965906 JSHZWIBNKBPUMC-AFUMVMLFSA-N 394.902 5.983 30 40 GKEB Cc1ccc(/N=C/c2c(OCc3cccc(F)c3)ccc3ccccc23)cc1C 409211581 OLUCMAWHLZVXGJ-LQKURTRISA-N 383.466 6.925 30 40 GKEB O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1cccc(Cl)c1 409287241 ZNPZZVVDOSEHGU-UHFFFAOYSA-N 399.837 5.345 30 40 GKEB CCCCCCCCN[C@@H](c1ccc(Cl)cc1)[C@H](O)c1ccc(Cl)cc1 1668717 PROPYXUGBLJQGO-FCHUYYIVSA-N 394.386 6.718 30 40 GKEB O=c1c2[nH]c3ccccc3c2ncn1/N=C/c1c2ccccc2cc2ccccc12 2275454 BRMXIJJUKRDZDN-MZJWZYIUSA-N 388.430 5.066 30 40 GKEB CCCOc1ccc([C@H]2C3=C(CCCC3=O)Nc3ccc4ccccc4c32)cc1 4186048 ADSCEAQKSVLPCI-XMMPIXPASA-N 383.491 6.193 30 40 GKEB CCc1ccc([C@@H]2C3=C(CCCC3=O)Nc3c(-c4ccccc4)c(C)nn32)cc1 4736636 AGVGFWUCZCIWPJ-XMMPIXPASA-N 383.495 5.443 30 40 GKEB COc1ccc(Br)cc1/C=N/N(Cc1ccccc1)c1ccccc1 4920260 LIRCEJGPBZOEID-HZHRSRAPSA-N 395.300 5.498 30 40 GKEB Cc1ccc(C)c2sc(N(Cc3ccccn3)C(=O)c3ccc(C#N)cc3)nc12 5265339 CRKMOWQLPDCLIG-UHFFFAOYSA-N 398.491 5.027 30 40 GKEB N#Cc1c(SCc2nc3ccccc3[nH]2)nc(-c2ccccc2)c2c1CCCC2 5646856 XFVNYFPJCMEDBN-UHFFFAOYSA-N 396.519 5.668 30 40 GKEB C=CCn1c(SCC(=O)c2c(C)[nH]c3ccccc23)nnc1C1CCCCC1 5936843 HQVQNVDHPIKVBD-UHFFFAOYSA-N 394.544 5.277 30 40 GKEB CCCc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)c2ccccc23)cc1 8462491 UXVJAUHVSGAZQX-QFIPXVFZSA-N 397.518 5.577 30 40 GKEB CCCCCCCCOc1ccc(-c2ncc(CCCCCCC)cn2)cc1 97998437 VLJJKDDNKBVZPX-UHFFFAOYSA-N 382.592 7.396 30 40 GKEB CC[C@]1(c2ccccc2)CCCC/C1=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 104197301 DDDFWQHZAHRAMW-QWODIWHTSA-N 382.420 5.193 30 40 GKEB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/c2sc3c(c2C#N)CCCC3)o1 408740168 IZGCPBNHPKKMEW-FSJBWODESA-N 391.452 5.726 30 40 GKEB CCOC(=O)c1c(/N=C/c2c(C)n(C)c3ccccc23)sc2c1CCCC2 408806298 AJQHJRAWHVLXKH-YDZHTSKRSA-N 380.513 5.354 30 40 GKEB COc1cccc2c(/C=N\c3ccc(NC(C)=O)cc3)c(-c3ccccc3)[nH]c12 408832513 XJGNUNODDPRZEI-MYYYXRDXSA-N 383.451 5.553 30 40 GKEB Cc1cc([N+](=O)[O-])ccc1/N=C/c1cccn1-c1cccc(Br)c1 409011089 LYSUJKNCURXJHC-UDWIEESQSA-N 384.233 5.207 30 40 GKEB C=CCOc1c(Cl)cc(/C=C2\C(=O)N(CC)c3ccccc32)cc1OCC 409111818 CWKNOBRZHBYKGB-ATVHPVEESA-N 383.875 5.211 30 40 GKEB Fc1cc(Oc2c(F)cc(C(F)(F)F)cc2F)cc(F)c1Br 1504250496 VKJBXSNSCBSZAO-UHFFFAOYSA-N 389.064 5.817 30 40 GKEB N#C/C(=N\Nc1ccc2ccccc2c1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 4175571 XSYRMXJPBPMETI-NCELDCMTSA-N 399.435 5.211 30 40 GKEB O=c1oc2ccccc2cc1-c1csc(N/N=C/c2ccc(Cl)cc2)n1 4737639 GLCFXQWBFLFAKW-UFFVCSGVSA-N 381.844 5.016 30 40 GKEB Clc1ccc(CO/N=C2\CCSC3=C2c2ccccc2C3)c(Cl)c1 5280198 ZUDDBZPLIRFNQX-OQKWZONESA-N 376.308 5.970 30 40 GKEB C=C(C)COc1ccc2c(c1)O/C(=C\c1cn(CC)c3ccc(OC)cc13)C2=O 28182728 HPGPYLPDGQHDSR-RMORIDSASA-N 389.451 5.241 30 40 GKEB CCCCCC/C=C\CCCCCCCCCC(=O)C1=C(O)CC[C@H](O)C1=O 85609517 SVNNKIHPYLAFTH-RHVSLNNASA-N 392.580 6.129 30 40 GKEB biogenic,in-vitro CCCCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)CC)cc2)cc1 97950381 XYNALELVAYITIW-UHFFFAOYSA-N 382.500 6.238 30 40 GKEB CCCCCCCCN(CCCCCCCC)C[C@H](O)c1ccc(F)cc1 100312956 XTVQGHIDJNFYOU-DEOSSOPVSA-N 379.604 6.882 30 40 GKEB CCCCCCCCC(=O)O[C@H](COCc1ccccc1)CN(CC)CC 100709306 BXXFJVPQOJZQEU-QFIPXVFZSA-N 377.569 5.207 30 40 GKEB C=CCOc1cccc(NC(=S)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)c1 225679821 PNZIYHMVWLZFAP-LJQANCHMSA-N 382.529 5.149 30 40 GKEB Cc1cc(/N=C\c2cccn2-c2ccccc2)ccc1I 408847730 ODQKBQVPXILCMG-MOSHPQCFSA-N 386.236 5.141 30 40 GKEB Cc1cccc(/N=C\c2cccc(OS(=O)(=O)c3ccc(Cl)cc3)c2)c1C 409219028 ZUJIZRCMEFIUSJ-UCQKPKSFSA-N 399.899 5.475 30 40 GKEB CCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccccc2O)C2=C1CC(C)(C)CC2=O 902508 DMXMQHPVUQGYRJ-UHFFFAOYSA-N 393.527 5.098 30 40 GKEB CCCCCCCSc1nc(CC)nc2sc3c(c12)CC(C)(C)OC3 2331285 PPUDAZXGJBCCTI-UHFFFAOYSA-N 378.607 6.168 30 40 GKEB CCCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCCC)n2)cc1 4116822 XSQBQXAAODSEKR-UHFFFAOYSA-N 380.435 5.930 30 40 GKEB CC[C@H](C)Cc1c(C)sc2nc(CSCc3ccc(C#N)cc3)[nH]c(=O)c12 7809599 DBCVGLONRFJFCY-ZDUSSCGKSA-N 397.569 5.187 30 40 GKEB C=C(C)CSc1nc(-c2ccc(OC)c(OC)c2)cc(C(F)(F)F)c1C#N 8843603 SLGRZZNOWARZKF-UHFFFAOYSA-N 394.418 5.324 30 40 GKEB C/C(=N\N=C(/S)NCc1ccccc1)c1ccc2ccccc2c1OC(F)F 13687051 VYCXRTKGEUOMJG-AFUMVMLFSA-N 399.466 5.241 30 40 GKEB O=[N+]([O-])c1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1 59471671 FIRMSYPPOYQBOA-SASJVVMLSA-N 395.462 6.172 30 40 GKEB O=C(Nc1cccc(/N=C/c2cc(Cl)ccc2O)c1)c1cc2ccccc2o1 95482059 FVZPYKSXMAYDPZ-ZMOGYAJESA-N 390.826 5.795 30 40 GKEB CCCCCCCOc1ncnc2c1sc1nc3c(cc12)COC(C)(C)C3 97951122 CJGLKEOMQKUWPA-UHFFFAOYSA-N 385.533 5.440 30 40 GKEB CCOc1cccc(/C=N/c2ccc3oc(-c4ccc(C)cc4C)nc3c2)c1O 100505844 CFGRWWBTBBVYLU-AFUMVMLFSA-N 386.451 5.967 30 40 GKEB Cc1cc(Cl)ccc1N/N=C1\C(=O)N(C2CSC2)c2ccc(C(C)C)cc21 223728505 TVXGTEKRIGPHTB-GFMRDNFCSA-N 399.947 5.050 30 40 GKEB C=CCN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(SC)cc1 224980085 CAHNRFGNCZLKMU-UHFFFAOYSA-N 388.341 5.097 30 40 GKEB CCCC(=O)c1c(C)cc(C)c([C@@H]2CC(=O)C(C(CC)=NOCC)=C(O)C2)c1C 299888841 ZOGDSYNXUXQGHF-KRWDZBQOSA-N 399.531 5.656 30 40 GKEB CCc1ccc(-n2c(C)cc(/C=N\Nc3ccc(C(F)(F)F)cn3)c2C)cc1 408931262 JGOYJGUZLXLABY-ZRGSRPPYSA-N 386.421 5.516 30 40 GKEB Cc1cc(N2CCCC2)ccc1/C=C1\SC(=Nc2ccc(Cl)cc2)NC1=O 408962188 XAVPRKQBYXJUIE-UYRXBGFRSA-N 397.931 5.140 30 40 GKEB COc1cccc(/C=N/c2ccc(C)cc2)c1OCc1ccc(C(=O)O)cc1 409189673 MRHBRLVWSPPDJF-ZVHZXABRSA-N 375.424 5.031 30 40 GKEB Cc1ccc(NC(=O)COc2ccccc2/C=N/c2ccccc2)cc1Cl 409208776 BZGVJENOBUPNSQ-ZVHZXABRSA-N 378.859 5.417 30 40 GKEB CCN(CC)c1ccc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CCC3)cc1 885429 JKNGCCJJFHGVPD-SANMLTNESA-N 397.522 5.754 30 40 GKEB CC1(C)CC(=O)C2=C(C1)N1CCc3cc4c(cc3C1=C[C@H]2c1ccccc1)OCO4 4090193 NEHMNOGSUBWBSJ-IBGZPJMESA-N 399.490 5.055 30 40 GKEB biogenic COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@H]43)cc2)cc1 4181728 DBKKKIRVRISFJD-QEZKPBDHSA-N 394.518 6.581 30 40 GKEB C/C(=N\Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1)c1cccc(N)c1 4748560 GEGJPZATTQIHTF-OGLMXYFKSA-N 379.467 5.229 30 40 GKEB COc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccco1 4973577 FEUJNMKRKRKATF-OWJWWREXSA-N 386.451 5.268 30 40 GKEB O=C1C[C@@H](c2ccco2)CC2=C1[C@H](c1ccccc1)n1c(nc3ccccc31)N2 5343536 AWLBFHSWHGXHLM-HJPURHCSSA-N 381.435 5.045 30 40 GKEB O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(-c2cccc(Cl)c2)o1 5376593 ZQQHKARUSNAFOJ-WOJGMQOQSA-N 398.846 5.631 30 40 GKEB CCc1ccc(OCc2nnc(SCCC#N)n2[C@@H](C)c2ccccc2)cc1 7985238 RFMANQSECIZJLL-KRWDZBQOSA-N 392.528 5.035 30 40 GKEB Cc1cccc(/N=c2\scc(-c3ccccc3)n2/N=C/c2ccc(C)cc2C)c1 12551613 ULXKNRAUVZYZGK-HPAFKQQASA-N 397.547 6.256 30 40 GKEB CN1/C(=C/C=N/c2c(Cl)cc(Cl)cc2Cl)C(C)(C)c2ccccc21 103454409 FPLVTBADHDJXLF-GUGPTSIKSA-N 379.718 6.661 30 40 GKEB CC(=O)[C@@H]1[C@@H](c2ccccc2F)C(=C(/C)O)/C(=N/c2ccc(C)cc2)C[C@@]1(C)O 107926615 DIANDPRMUBIILF-WGLYLYBXSA-N 395.474 5.182 30 40 GKEB Cc1ccc(C(=O)/C=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1 408692536 OPPNUTQMBGEEHV-DHZHZOJOSA-N 384.306 6.605 30 40 GKEB Cc1ccc(C(=O)/C=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1 408692860 XAEJFWIVQYVBTQ-NTCAYCPXSA-N 385.894 6.548 30 40 GKEB Cc1cc(Br)ccc1/N=C\c1ccc(-c2ccc(C)c(C(=O)O)c2)o1 408857300 LSXJFFQBOZHMKH-JJFYIABZSA-N 398.256 5.775 30 40 GKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1c(Cl)cc(/C=N/O)cc1Cl 409077492 FAOPWHWBHZSFCW-CGOBSMCZSA-N 395.120 5.521 30 40 GKEB COc1ccc(C(=O)/C=C/Nc2ccc(Oc3cccc(OC)c3)cc2)cc1 409105581 NIEALPMJLPQPEC-CCEZHUSRSA-N 375.424 5.305 30 40 GKEB C#CCOc1c(Br)cc(CNc2cccc(Cl)c2C)cc1OC 409125677 ALTSAQZHQVOFLM-UHFFFAOYSA-N 394.696 5.044 30 40 GKEB CC(C)(C)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 1083807045 UMUOXLLHZVHCNH-UHFFFAOYSA-N 388.192 5.243 30 40 GKEB O=C1CCCC2=C1c1c(ccc3ccccc13)N[C@@H]2c1cccc2ccccc12 970621 RMVSXLTVPXTOTM-HHHXNRCGSA-N 375.471 6.666 30 40 GKEB Cc1cc(O)c(/C=N/c2ccc(I)cc2)c(C)c1Cl 1435144 JDQJRWHDHRMKHM-QGMBQPNBSA-N 385.632 5.018 30 40 GKEB Cc1c(Cl)c(C)c([N+](=O)[O-])c(O)c1/C=N/c1ccc(Br)cc1 3115500 UJDJVZHPRSJISD-CNHKJKLMSA-N 383.629 5.084 30 40 GKEB Cc1nn(-c2ccccc2Cl)c(Cl)c1/C=N/Nc1cccc(Cl)c1 4947772 HJBYVWRLJZWSGH-UFFVCSGVSA-N 379.678 5.587 30 40 GKEB Clc1ccc(-c2ccc(/C=N/Nc3nc4ccccc4s3)o2)cc1Cl 5605074 YDBBOFRBATYFAV-UFFVCSGVSA-N 388.279 6.309 30 40 GKEB C=CCn1c(SCc2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1 6295892 XVBWORYIKWVTCS-UHFFFAOYSA-N 376.312 5.730 30 40 GKEB COc1ccc([N+](=O)[O-])cc1/C=N\c1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 6323243 JGZQCPDJALNEII-IIHGDPFSSA-N 397.500 5.438 30 40 GKEB CCCCC1CCC(C(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)CC1 15279488 AIMBCVDWYSVPAN-UHFFFAOYSA-N 394.515 5.277 30 40 GKEB CSc1nc(N[C@@H]2CCCC[C@@H]2C)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 19820426 SIQKRTXMYGQOET-HNAYVOBHSA-N 394.588 6.025 30 40 GKEB O=[N+]([O-])c1cccc(-c2csc(N/N=C\c3ccc(C(F)(F)F)cc3)n2)c1 31854344 MSJJHURCZMGUJO-NKVSQWTQSA-N 392.362 5.183 30 40 GKEB CCCCCCCC(=O)NCCC[C@H](C)Nc1cc(OC)cc2cccnc12 72266994 ZJIPRNQITXJYCK-SFHVURJKSA-N 385.552 5.301 30 40 GKEB CCCCc1ccc(/N=C\c2ccc(/C=N\c3ccc(CCCC)cc3)cc2)cc1 96034864 OWDOPPGNUYIHFQ-DHQAUHHZSA-N 396.578 7.873 30 40 GKEB CCCCCCCOc1ccc(NC[C@H](C)Oc2ccc(Cl)cc2)cc1 100033638 GNXUVMAQLSZRGD-SFHVURJKSA-N 375.940 6.569 30 40 GKEB CCCCCCCCCOc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1 100870347 DKKOGAOESDVVDH-OBGWFSINSA-N 377.575 5.647 30 40 GKEB C=CCOC(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 226333877 PWKZNVWFUIZQTC-XBXARRHUSA-N 397.685 5.968 30 40 GKEB N#Cc1ccccc1CO/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1 408589694 FOCQYAZYZNRNOH-OGLMXYFKSA-N 392.458 5.841 30 40 GKEB CCc1ccc(-n2c(C)cc(/C=N/c3ccc(Cl)c(C(=O)OC)c3)c2C)cc1 408751613 ALJWCGDUKWWVNR-AFUMVMLFSA-N 394.902 5.847 30 40 GKEB CCOC(=O)c1c(C)n(-c2ccccc2)c2ccc(Oc3ncccc3C#N)cc12 977862 CYSJITFEBOTKDI-UHFFFAOYSA-N 397.434 5.175 30 40 GKEB O=C(Nc1cccc(C(F)(F)F)c1)C(F)(F)Oc1cccc(C(F)(F)F)c1 3116997 PDIDVXYVAJRUAG-UHFFFAOYSA-N 399.237 5.335 30 40 GKEB Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 4118302 QGWQLBYIIJVZLZ-GIJQJNRQSA-N 398.502 6.408 30 40 GKEB Cc1ccc(Cc2c(C)c(C#N)c3nc4ccccc4n3c2NC2CCCC2)cc1 5453510 APXZJNOVWXYSIF-UHFFFAOYSA-N 394.522 5.921 30 40 GKEB COc1ccc(Oc2ccc(Cl)cc2NC(=O)c2ccc(C#N)cc2)cc1 6083914 XDPILPOIQUMACG-UHFFFAOYSA-N 378.815 5.265 30 40 GKEB C=CCSc1nnc2c3c(ncn12)[C@@H]1C2=C(CCC2)C(CCCC)=N[C@@H]1S3 6309929 RTFJTRXIXUBGLF-HNAYVOBHSA-N 397.573 5.043 30 40 GKEB CCOc1ccc(C(=O)/C(=C\c2ccc(O)cc2)c2nc3ccccc3o2)cc1 27061919 GFESQQPFLZLZSD-HMMYKYKNSA-N 385.419 5.356 30 40 GKEB C=CCSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1ccc(C)cc1 44085543 XAISCUFMWQFBPK-UHFFFAOYSA-N 375.324 6.433 30 40 GKEB CC1(C)[C@@H]2CC[C@]1(C)/C(=N\Nc1ncc(-c3ccc4ccccc4c3)s1)C2 102447947 OLJYBWWEEIPPRM-FYUIZIITSA-N 375.541 6.577 30 40 GKEB CCCCCCCOc1cccc(OCCCC[N+]2(CC)CCCCC2)c1 104198873 CBWBABABQIOGND-UHFFFAOYSA-N 376.605 6.215 30 40 GKEB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1C/C(=C\c1ccc(Cl)cc1)C2=O 107855461 WCHUABIOEGJTRD-YPNDZAIESA-N 392.926 6.164 30 40 GKEB N#Cc1c(-c2cn(Cc3ccc(F)cc3)c3ccccc23)c2c([nH]c1=N)CCCC2 408980688 SHMHHYXESUGLQF-UHFFFAOYSA-N 396.469 5.054 30 40 GKEB CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccc(Br)cc2)cc1OC 409375874 QGYAOESEZCYXFO-OVMKCGGTSA-N 396.712 6.039 30 40 GKEB O=C1C(c2ccccc2)=C(c2ccccc2)/C1=C\c1ccc(Cl)cc1Cl 1564426 CTSYKSQPDJGUFN-CPNJWEJPSA-N 377.270 6.571 30 40 GKEB C=C(C)CSc1nnc2c3c4c(sc3nc(-c3ccccc3)n12)CCC4 2304330 KBWSWZKSCATHLM-UHFFFAOYSA-N 378.526 5.163 30 40 GKEB N#CC(Cc1ccccc1F)(Cc1ccccc1F)C(=O)Nc1ccccc1F 3418446 JMBCUOTXONFSNX-UHFFFAOYSA-N 394.396 5.038 30 40 GKEB C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(F)cc1 4346163 BMWSXPVYBFFONB-UHFFFAOYSA-N 394.302 5.869 30 40 GKEB CS(=O)(=O)OC[C@@H]1CCCCCCCCCCC12SCCCS2 5955444 DXACRGBTIMELMI-INIZCTEOSA-N 380.641 5.060 30 40 GKEB C=CCn1c(COc2ccc(C(C)C)cc2)nnc1SCc1ccc(C)cc1 6502036 RCMJCSHAWLCBMY-UHFFFAOYSA-N 393.556 5.767 30 40 GKEB Cc1cc(C(=O)O)ccc1/N=C\c1c(C)c(Cl)c(C)c(Br)c1O 16282470 YGULSTZGOPIRKH-SCDVKCJHSA-N 396.668 5.182 30 40 GKEB CCCCCCCCn1c(COc2ccc(C(C)(C)C)cc2)nc2ccccc21 50704986 RFIXRGFSNMOZCK-UHFFFAOYSA-N 392.587 7.273 30 40 GKEB O=[N+]([O-])c1ccccc1/C=C/C=N/c1ccc2oc(-c3ccc(F)cc3)nc2c1 100502871 YXJNLFOSNVMFJX-HRLJDNPUSA-N 387.370 5.958 30 40 GKEB CCCCCCCCCCCC[N+](C)(C)CC(=O)OCCCCCCCC 100925287 NLDKZZUFXKMRBM-UHFFFAOYSA-N 384.669 6.887 30 40 GKEB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1CC(=C1Nc3ccccc3N1)C2=O 245015226 LSAJYPFOWSXELJ-NXSZCSDFSA-N 390.571 6.347 30 40 GKEB CCCN1C(=O)/C(=C/c2ccc(CC)s2)S/C1=N/c1ccc(Cl)cc1 409087672 DCPBBWZXTJLSOR-HATACVMWSA-N 390.961 5.978 30 40 GKEB CCc1ccc(C2=C(Cl)C(=O)C(c3ccc(CC)cc3)=C(Cl)C2=O)cc1 1704427 POVNHJIIGZJLCR-UHFFFAOYSA-N 385.290 5.563 30 40 GKEB N#Cc1c(SCc2c(F)cccc2Cl)nc2c(c1-c1ccccc1)CCC2 2479572 OYGPFLCNDRURQI-UHFFFAOYSA-N 394.902 6.194 30 40 GKEB N#Cc1cc(-c2cccc(C(F)(F)F)c2)cnc1Sc1ccc(Cl)cc1 3133679 PKEZJXRBWWQBOK-UHFFFAOYSA-N 390.817 6.444 30 40 GKEB N#Cc1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 4031686 QDPDSZPBRKRRBW-UHFFFAOYSA-N 381.460 5.601 30 40 GKEB CC(=O)O/N=C(\C)CC/C=C(/C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)CCC[C@]12C 9635655 NQRNQFVQINDGPA-ATTWFELFSA-N 387.608 7.231 30 40 GKEB Cc1cc(CSc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)no1 18026078 PXLRLUPMZMGHAO-UHFFFAOYSA-N 381.404 5.289 30 40 GKEB Cc1nn(-c2ccccc2)c2c1[C@H](C)C1=C(C[C@H](c3cccs3)CC1=O)N2 18197822 MMUZTYCZLMLMFX-ZFWWWQNUSA-N 375.497 5.172 30 40 GKEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1cccs1)n1c(nc3ccccc31)N2 18266714 SRGMCGJVUINXLM-HJPURHCSSA-N 397.503 5.514 30 40 GKEB N#Cc1ccc(/C=C(/c2nc3ccccc3[nH]2)c2nc3ccccc3s2)cc1 51102976 FSGNXZLDRYLASP-LGMDPLHJSA-N 378.460 5.633 30 40 GKEB COc1ccccc1/C=N/c1nc(-c2ccc(C)cc2)c(-c2ccccc2)s1 59463817 KKRYGCWADGVKDV-PCLIKHOPSA-N 384.504 6.545 30 40 GKEB Clc1ccc(/N=C/c2ccn(-c3ccc(Br)cc3)c2)cc1Cl 100391384 VBUIKMSQVVJUPU-UFFVCSGVSA-N 394.099 6.297 30 40 GKEB CC[C@H]1CS/C(=N/c2ccc(OC)cc2)N1Cc1ccc(Cl)cc1Cl 102898813 HYPVLDZTANVWNU-QKDOTCOFSA-N 395.355 6.017 30 40 GKEB O[C@@]1(c2ccccc2)C/C(=N/C2=NN(c3ccccc3)CC2)C=C1c1ccccc1 102943611 BWNMMMCLWUPJQG-OOVQCZTNSA-N 393.490 5.026 30 40 GKEB CCc1ccc(-c2nc3cc(NC(=O)c4ccc(C#N)cc4F)ccc3o2)cc1 408619893 CZGUBIHMHPDATO-UHFFFAOYSA-N 385.398 5.320 30 40 GKEB CCCCOc1ccc(/C=N/c2nc3c(s2)COc2cc(OC)ccc2-3)cc1 408723504 VUSBKDRMWYDWFD-YDZHTSKRSA-N 394.496 5.641 30 40 GKEB COc1ccc(C/N=C\c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)cc1 408855819 FPWHSNJVFMAVFN-CFRMEGHHSA-N 396.874 5.073 30 40 GKEB CC(C)OC(=O)COc1ccc(/C=N/c2ccc(C3CCCCC3)cc2)cc1 409186851 IPTBWDNIPBGMFL-PCLIKHOPSA-N 379.500 5.815 30 40 GKEB Fc1cccc(Cn2ccc3cc(/C=N/c4ccc(Cl)cc4Cl)ccc32)c1 409238326 MXNYIURSXPUYGK-LGJNPRDNSA-N 397.280 6.886 30 40 GKEB CCc1ccc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)cc1 870005 WBURBRWIKXNCLT-RUZDIDTESA-N 382.507 6.107 30 40 GKEB CCc1cccc(C)c1NC(=O)CSc1nc2c(C)ccc(C)c2cc1C#N 1354249 JKCMFDJAOHQAOB-UHFFFAOYSA-N 389.524 5.325 30 40 GKEB Cc1ccc(-c2nc3cc(/N=C/c4ccc(Cl)c([N+](=O)[O-])c4)ccc3o2)cc1 3032472 YGHPZUIWVOCSCQ-FSJBWODESA-N 391.814 6.115 30 40 GKEB Cc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nn(-c4ccccc4)c(O)c32)cc1 4205049 BHKBOXPKVWDNJR-FQEVSTJZSA-N 399.494 5.087 30 40 GKEB Cc1cc(/C=N/c2ccc(C(=O)O)c(Cl)c2)c(C)n1-c1ccc(N(C)C)cc1 4740751 UKEBYSBIKWOWTB-ZMOGYAJESA-N 395.890 5.262 30 40 GKEB Cc1ccc(-n2c(C)cc(/C=N/NCc3ccc(Cl)cc3)c2C)cc1Cl 10118958 GODBMQKOUMOQLP-DHRITJCHSA-N 386.326 5.833 30 40 GKEB CCc1cc(Br)cc2c1NC(=O)/C2=N\c1cccc2ccccc12 13856034 CSXQHMGSUCORCE-UHFFFAOYSA-N 379.257 5.238 30 40 GKEB CC(=O)N(/C=C1/Sc2ccccc2C1=O)c1cc(C(F)(F)F)ccc1Cl 100557156 CSRSIRCFTQZNOT-CXUHLZMHSA-N 397.805 5.542 30 40 GKEB COc1ccc(Br)c(/C=N/c2cc(-c3ccccc3)ccc2O)c1O 100933687 KGCKSSIEWITCDJ-WSDLNYQXSA-N 398.256 5.287 30 40 GKEB CCCCCCCCCCOC(=O)C[N+]1(CCN2CCCCC2)CCCCC1 102919499 CKTHYZSCFONGOA-UHFFFAOYSA-N 395.652 5.157 30 40 GKEB CN(C)c1ccc(/C=C2/S/C(=N/c3ccccc3)N(c3ccccc3)C2=O)cc1 104819357 SAWUGAKYRLBMPF-FTNPDODUSA-N 399.519 5.561 30 40 GKEB Cc1cc([N+](=O)[O-])ccc1/N=C\c1cccn1-c1ccc(Br)cc1 408818279 NKXOUNJGFWONMQ-NDENLUEZSA-N 384.233 5.207 30 40 GKEB C=C[C@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3c(C)cccc3CC)c2C)C1=O 408960877 PDEAYEXMOQVLJY-HYTQYMIGSA-N 394.540 5.576 30 40 GKEB COc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCc1ccccc1F 409208369 BCIFEXRGCOMCPI-DHRITJCHSA-N 383.850 6.126 30 40 GKEB CCCCCCCC[C@@H](CCCCCC)Cn1nc2cc(F)c(F)cc2n1 1776010819 BOHQTSMNPWYSGK-GOSISDBHSA-N 379.539 7.047 30 40 GKEB CCCCCCCCCCOC(=O)N[C@H]1c2ccccc2Oc2c(C)cccc21 1593428 XQMVVBXFSGIEQO-QHCPKHFHSA-N 395.543 7.057 30 40 GKEB CCN(CC)c1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2CCCC3=O)cc1 2278738 HVNSIXLLFGCHTG-MHZLTWQESA-N 396.534 6.359 30 40 GKEB Cc1ccc(O)c(/C=N/c2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)c1 3113712 PGNALTCHGLBLPS-BHGWPJFGSA-N 397.261 6.566 30 40 GKEB O=C1c2ccccc2/C(=N/c2ccccc2Cl)[C@H]1c1ccc([N+](=O)[O-])cc1 4825644 YVNJSZZFCPZYFB-IGTQYIEMSA-N 376.799 5.349 30 40 GKEB O=C1N/C(=N/c2cccc(C(F)(F)F)c2)S/C1=C\c1ccc(Cl)cc1 8418352 ZBTKGNWOWMIBKH-ZSOIEALJSA-N 382.794 5.250 30 40 GKEB CN(C/C(O)=N/C1(C#N)CCCCC1)[C@H](c1ccccc1)c1ccc(F)cc1 23238229 WHFJSQBRDZYRDD-JOCHJYFZSA-N 379.479 5.030 30 40 GKEB CCSC1=C(C(=O)c2ccccc2)C(=O)C[C@@H](c2ccccc2Cl)S1 26896831 NIEWCTUQSPMATF-KRWDZBQOSA-N 388.941 5.935 30 40 GKEB CCCCCCOc1ccc(/C=N/c2nc3ccc(CCCC)cc3s2)cc1 100172436 ALIDVJPZXTWYQL-XIEYBQDHSA-N 394.584 7.349 30 40 GKEB CCCCCCCC[C@H](CN(CCCC)CCCC)N(CCCC)CCCC 100923605 FBGXRVIRNTXTBB-AREMUKBSSA-N 396.748 7.910 30 40 GKEB COc1cc(/C=N/c2ccc(F)cc2F)ccc1OCc1ccc(C(=O)O)cc1 408965990 KTASDNJXIXTONB-BRJLIKDPSA-N 397.377 5.001 30 40 GKEB O=C(O/N=C(/Cc1ccccc1)c1cccs1)c1ccc(-c2ccccc2)cc1 409053594 NLFMMDWWSPASOH-RWEWTDSWSA-N 397.499 6.219 30 40 GKEB CCC[C@@H](C1=CC(C)(C)c2ccccc2C1=O)c1ccc(Br)cc1 1754599 LJKMNZOUELCIHH-QGZVFWFLSA-N 383.329 6.433 30 40 GKEB COC1=C(OC)C(=O)C(SCCCCCCC2CCCCC2)=C(C)C1=O 1767806 ZVABPKGKZDKOHE-UHFFFAOYSA-N 380.550 5.181 30 40 GKEB CCCCCCCCN1C(=O)/C(=C/c2cn[nH]c2-c2ccccc2)SC1=S 2368811 OUHXIGYAGBTARV-JXAWBTAJSA-N 399.585 5.638 30 40 GKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cccc(Cl)c3)c2C#N)C1 2738776 UHCGBPRGZZEIAD-CQSZACIVSA-N 386.948 6.067 30 40 GKEB C/C(=N\Nc1nc(-c2ccccc2Cl)nc2ccccc12)c1ccc(F)cc1 4826866 XRTDAFOWSGLFIM-MZJWZYIUSA-N 390.849 5.925 30 40 GKEB O=C1C[C@H](c2ccccc2Cl)CC2=C1[C@@H](c1ccco1)Nc1ccccc1N2 4973596 ZTSCBIDDEVDIAB-QKFKETGDSA-N 390.870 5.913 30 40 GKEB COc1ccc(/C=N/N(C)c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1 5319656 RIUMMYGUWDTJOX-NLRVBDNBSA-N 394.478 5.290 30 40 GKEB C=CCn1c(SCc2c(F)cccc2F)nnc1-c1ccccc1Cl 6293535 HPISOWSXWHBIGJ-UHFFFAOYSA-N 377.847 5.355 30 40 GKEB C=CCc1ccc(OCCCCN2CCCC[C@H]2c2cccnc2)c(OC)c1 8792562 SBSTXPOHYXUFGR-QFIPXVFZSA-N 380.532 5.205 30 40 GKEB biogenic N#Cc1ccc(-c2ccco2)nc1SCC(=O)Nc1cccc2ccccc12 12250987 MWUAMFVBNOLAEP-UHFFFAOYSA-N 385.448 5.097 30 40 GKEB C=CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)Nc1cccc2ccccc12 12654127 NOYKMSAUKUFSRL-UHFFFAOYSA-N 398.466 5.418 30 40 GKEB CC(=O)N(c1nc(/C=C/C(=O)c2ccccc2)cs1)c1cccc(C)c1C 12900085 KPMJMPHHQZSAGC-OUKQBFOZSA-N 376.481 5.341 30 40 GKEB C=CCn1c(SCc2ccc(Cl)cc2)nc2c([nH]c3ccccc32)c1=O 16890318 XMGCZNAZNQZIBL-UHFFFAOYSA-N 381.888 5.010 30 40 GKEB CCc1cccc(CC)c1/N=C/c1cccc(/C=N/c2c(CC)cccc2CC)c1 17193619 ZYXBQVCBBWHWPD-CZYCKNNWSA-N 396.578 7.437 30 40 GKEB COc1ccc(/C(=N\O)[C@H](c2ccc(OC)cc2)C(Cl)(Cl)Cl)cc1 18152334 VSRPXVYUPJAQCY-SSPLZPMDSA-N 388.678 5.036 30 40 GKEB CCCCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1cccc(F)c1 102598151 UBTAMHWCHUNWDY-MRJHHRETSA-N 395.474 5.136 30 40 GKEB Cc1cccc(C2(C(=O)Nc3ccc(OC(C)C)c(C#N)c3)CCCCC2)c1 225758893 CKJKZGAAHIIXQR-UHFFFAOYSA-N 376.500 5.495 30 40 GKEB CCCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1C#N 225761384 WMNVPNUDAXXDAP-UHFFFAOYSA-N 394.490 5.717 30 40 GKEB N#Cc1cn(C(=O)c2ccc(-c3ccc(Br)cc3)o2)c2ccccc12 226361779 OPTQQXIASCRNJD-UHFFFAOYSA-N 391.224 5.224 30 40 GKEB CCOc1ccc(/C=N/c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1O 408718318 RRSRMZTYPFNJPT-BUVRLJJBSA-N 385.423 5.259 30 40 GKEB Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2ccc(C(C)(C)C)cc2)S1 408860646 AYDBZAISFIFUKE-PDGQHHTCSA-N 384.932 5.838 30 40 GKEB COC(=O)c1cc(/N=C/c2ccc(-c3ccc(C(=O)O)cc3C)o2)ccc1Cl 408962490 SOGXYNNJUTXBRO-FOKLQQMPSA-N 397.814 5.144 30 40 GKEB Cc1cc(/C=N/c2ccc(C(=O)O)cc2)c(C)n1-c1ccc(Br)cc1 1082622 VYUHDTUTHJUTMT-WSDLNYQXSA-N 397.272 5.305 30 40 GKEB CCCCCCCNC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12 2751625 LVWJWTLEVCXNDA-UHFFFAOYSA-N 376.500 5.611 30 40 GKEB CC(C)(C)c1ccc(O)c(/N=C/c2cc(Br)cc(Cl)c2O)c1 3068721 LVKBNIUSJSSYKW-AWQFTUOYSA-N 382.685 5.562 30 40 GKEB N#C[C@@H](c1ccc(F)cc1)c1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1 4052443 RBXVTVGCTDVUME-LBPRGKRZSA-N 399.269 5.462 30 40 GKEB Cc1ccc2[nH]c3c(c2c1)CCC/C3=N/N=C1/CCCc2[nH]c3ccc(C)cc3c21 4350749 AZRZDTPMHIQXLW-HONQWNAWSA-N 394.522 6.132 30 40 GKEB Cc1ccc(/N=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)c(C)c1 8368476 OLNXHFXTMWREGI-LQKURTRISA-N 399.921 7.440 30 40 GKEB CC(C)CC(=O)C[C@H](c1ccccc1)[C@H](C(=O)/C=C\c1ccccc1)C(C)C 17128643 GXELYPUYAMBBKI-KCCXJPKJSA-N 376.540 6.330 30 40 GKEB COc1ccc2c(c1)CC[C@@H]1[C@@H]3C/C(=C\c4ccc(F)cc4)C(=O)[C@]3(C)CC[C@@H]21 36614422 XDSUORUHJZFDRR-NZNXFPTASA-N 390.498 5.953 30 40 GKEB O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1cccc(C(F)(F)F)c1 59514349 RAJCWBLJJBKTPI-NTEUORMPSA-N 382.794 5.250 30 40 GKEB CCCCCCCCCCC(=O)c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1 95691945 RDJRWYPYCXYZMK-UHFFFAOYSA-N 380.743 6.281 30 40 GKEB C[C@]1(c2ccccc2)CCCCC/C1=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 104234902 MULHDGTUHCRWOZ-VZFXBBDVSA-N 382.420 5.193 30 40 GKEB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1C/C(=C\c1cccc(F)c1)C2=O 118916177 XTIQNVKIJGLRLG-IADOJVRWSA-N 380.547 6.821 30 40 GKEB C=CCn1c(CCCCCCC)nnc1SCC(=O)Nc1ccc(C)cc1 408564492 YTWACYMQFQTHPM-UHFFFAOYSA-N 386.565 5.016 30 40 GKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc(OCC#N)cc3)c2C#N)C1 409085442 SFHRXAASMUEXRO-MMDHUZEPSA-N 377.513 5.424 30 40 GKEB Cc1ccc(/N=C\c2cccc(OCc3cccc4ccccc34)c2)cc1Cl 409215254 WEAZCGGXNINDRA-YUMHPJSZSA-N 385.894 7.131 30 40 GKEB N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCC[C@@H]2CC2(F)F)cc1Cl 598649228 KXUZEXXKBKGRLV-PBHICJAKSA-N 389.833 5.162 30 40 GKEB COc1ccc([C@@H]2Nc3cc4ccccc4cc3C3=C2CC(C)(C)CC3=O)cc1 727156 WFXURIQNKPWBCE-VWLOTQADSA-N 383.491 6.158 30 40 GKEB COc1ccc(/C=N/CC[C@H](c2ccccc2)[C@@H]2CCOC(C)(C)C2)cc1OC 4027131 NATKEWUCHCEYAD-PLSKTMPKSA-N 395.543 5.502 30 40 GKEB biogenic Cc1ccc(O)c(/C=N/c2ccc(C(c3ccc(C)o3)c3ccc(C)o3)cc2)c1 4280952 GMAWZOHTBMGLQC-CVKSISIWSA-N 385.463 6.434 30 40 GKEB Cc1cc(Cl)cc(/C=N/c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1O 6500871 XDKUJMYBGHFQOS-WYMPLXKRSA-N 399.277 6.010 30 40 GKEB C=CCOc1ccccc1/C=C1/SC(Nc2cccc3ccccc23)=NC1=O 6856130 UWYQPWUEABBQJE-RCCKNPSSSA-N 386.476 5.487 30 40 GKEB CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(F)cc1 9334898 KESKVGGLRNZSRB-OAQYLSRUSA-N 395.474 5.293 30 40 GKEB CCCCCCCCCC1=NCCN1CCNC(=O)Nc1cccc(Cl)c1 102998830 ZFWVJOLQLQYDSX-UHFFFAOYSA-N 392.975 5.316 30 40 GKEB Cc1cc(C)c2oc(-c3ccc(C)c(NC(=O)c4ccc(C#N)cc4F)c3)nc2c1 408621134 JVELXKLCZGCXAT-UHFFFAOYSA-N 399.425 5.683 30 40 GKEB COc1ccc(Cl)cc1/C=C1\SC(=Nc2ccc(C)c(Cl)c2)NC1=O 408739033 RSMCMRUWZMEZBC-PXNMLYILSA-N 393.295 5.202 30 40 GKEB COc1ccc(Cl)cc1/N=C/c1cc(C)n(-c2cccc([N+](=O)[O-])c2)c1C 408787293 WQBUEPZGKQJRTD-WSDLNYQXSA-N 383.835 5.415 30 40 GKEB CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1 408943962 SWEHTJWOVUMFOE-KSTBRFNRSA-N 394.518 6.662 30 40 GKEB COc1ccc(/N=C\c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)cc1 409118249 ZIHRYBZETDVXSD-HMAPJEAMSA-N 378.453 5.814 30 40 GKEB CCOc1ccc2nc(-c3cc(/N=C/c4cccs4)ccc3O)sc2c1 811294 WIFJDZBRZBTYBH-CIAFOILYSA-N 380.494 5.880 30 40 GKEB Cc1cc2c(cc1C)N[C@H](c1cccc(Br)c1)C1=C(CCCC1=O)N2 1389124 NCUAILNIBJDZIX-OAQYLSRUSA-N 397.316 5.652 30 40 GKEB CSc1ccc([C@@H]2Sc3ccccc3NC3=C2C(=O)c2ccccc23)cc1 2426129 LPEGACJKSZRARZ-QHCPKHFHSA-N 387.529 6.275 30 40 GKEB Cc1ccccc1-c1nc2cc(/N=C/c3cc(Cl)cc(Cl)c3O)ccc2o1 3066639 QTQILHRYJZWSCK-BHGWPJFGSA-N 397.261 6.566 30 40 GKEB Cc1ccc(C(=O)Oc2ccc(C(=O)/C=C/c3ccc(C(C)C)cc3)cc2)cc1 4118232 WNDPUZGRKXXECD-CAOOACKPSA-N 384.475 6.234 30 40 GKEB Clc1ccc(-c2nc(N/N=C/c3ccccn3)sc2-c2ccccc2)cc1 5685046 ZZGVFSSABOLQMJ-ZVHZXABRSA-N 390.899 5.972 30 40 GKEB C=CCOc1ccc(CNc2ccc(Br)cc2)cc1Br 6295859 CEMYUQHSSLJFTG-UHFFFAOYSA-N 397.110 5.389 30 40 GKEB COc1ccc(/N=C(/Nc2ccc(Br)cc2)c2ccccc2)cc1 6397982 WNWZUNWKLOXKQJ-UHFFFAOYSA-N 381.273 5.648 30 40 GKEB CCOc1ccc(Br)cc1/C=N/c1ccc(Oc2ccccc2)cc1 6963874 XUBNQCFHMAZWJS-HZHRSRAPSA-N 396.284 6.391 30 40 GKEB C=CCOc1ccc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 12984510 YUEVAABXJHZLKB-RDPWEWGOSA-N 390.508 5.238 30 40 GKEB C/C(=C\C(=O)c1ccc(Br)cc1)Nc1cccc(C(F)(F)F)c1 32100463 VGSUSVPBOQOPHM-PKNBQFBNSA-N 384.195 5.667 30 40 GKEB Cc1nn(-c2ccccc2)c(O)c1SC(F)=C(C(F)(F)F)C(F)(F)F 100115256 GHLQJPLJHQYLET-UHFFFAOYSA-N 386.292 5.284 30 40 GKEB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C/c1ccccc1)C2=O 118919516 XVNNBSPKVRWTLT-QLTZBHEJSA-N 378.556 5.653 30 40 GKEB CCOc1ccc(-n2c(C)cc(/C=N/c3ccc(OC)c(Cl)c3)c2C)cc1 166660675 NIRSBZRAIRNBTN-ZVHZXABRSA-N 382.891 5.905 30 40 GKEB Cc1ccc(S(=O)(=O)O[C@@H]2C[C@H](C(C)(C)C)CC[C@@H]2c2ccccc2)cc1 1712004 MONPOCASPAGPNP-CEMLEFRQSA-N 386.557 5.699 30 40 GKEB in-vitro O=C1/C(=C/C=C/c2ccccc2)S/C(=N\c2ccccc2)N1c1ccccc1 2053195 LNFZXPUTSFDDBD-RCDGQAJGSA-N 382.488 6.051 30 40 GKEB CCCCCCCNC(=O)c1c(N)n(CCCCC)c2nc3ccccc3nc12 2225624 MMOSNUJBCWBRTO-UHFFFAOYSA-N 395.551 5.057 30 40 GKEB COc1ccc(/C=N/c2ccc(Br)cc2[C@H](O)c2ccccc2)cc1 5513487 JNISDSNDNZKDSY-KURUZVKSSA-N 396.284 5.290 30 40 GKEB N#C/C(=N\Nc1cccc(F)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 6885697 VMKXDZBCNPCELI-SGWCAAJKSA-N 398.466 5.956 30 40 GKEB COc1cc(/C=N/c2cc(C)ccc2C)ccc1OCc1cccc2ccccc12 8368085 MFSKRANOROREOP-OGLMXYFKSA-N 395.502 6.795 30 40 GKEB CCCCCCCCCCCCCCOC(=O)[C@@H](N)[C@H](O)c1ccccc1 100550846 OIVGXPSRTPKUPQ-FCHUYYIVSA-N 377.569 5.292 30 40 GKEB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)OCc5ccccc5C#N)(C4)C2)C3)cc1C 100902902 JVBHKXHXPRDFMK-CUFNRJLSSA-N 399.534 5.757 30 40 GKEB Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1/C(=N\O)CC(C)(C)C2 100931431 YYKHDPRJTTZFJF-CFRMEGHHSA-N 380.366 5.010 30 40 GKEB O/N=C1/CCC=CCC[C@@H]1Sc1nc(-c2ccccc2)c(-c2ccccc2)o1 100977153 QOBHJLJXLNHTCW-JNSYTVTDSA-N 390.508 6.430 30 40 GKEB CC1(C)[C@@H]2CC=C(/C=N/NC(=S)Nc3ccc(SC(F)F)cc3)[C@@H]1C2 102976684 PXUAVPICMYRWHS-FETLCPBASA-N 381.517 5.266 30 40 GKEB C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@@H]3[C@@H]1CC[C@H]2OC(=O)c1ccccc1 263603839 NZGKYNGOBSDZNY-MGZYFBPNSA-N 378.512 5.354 30 40 GKEB N#Cc1c(NC(=O)COc2ccc(C3CCCCC3)cc2)sc2c1CCCC2 408629039 JETXNKXMYZSQSU-UHFFFAOYSA-N 394.540 5.564 30 40 GKEB O=C(O)c1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1 408933950 CKMHAQDGYASKAT-FCLXTIGESA-N 394.474 5.962 30 40 GKEB C=CCOc1ccc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc1Cl 409105614 NJPBZBRPJHIQOZ-ZSOIEALJSA-N 379.765 5.416 30 40 GKEB Clc1cccc(-c2ccc(/C=N/c3ccc4oc(-c5ccccc5)nc4c3)o2)c1 1885551 CYKKCSJXOUYQSC-CVKSISIWSA-N 398.849 7.159 30 40 GKEB Cc1cc(C(F)(F)F)c(C#N)c(SCc2cccc(Br)c2)n1 2346413 FZUGLDFSOMSCIX-UHFFFAOYSA-N 387.224 5.335 30 40 GKEB O=C(c1cc2c(s1)CCCCC2)N1CCCS/C1=N\Cc1ccccc1 3336728 MRSNPIGUVWTGSJ-DQRAZIAOSA-N 384.570 5.152 30 40 GKEB O=C1/C(=C/c2ccccc2)CC[C@@]12C[C@@H]1CCCC[C@]1(O)O[C@@H]2c1ccccc1 4023610 NKLXMIJMKFCEFM-YYWKSBGNSA-N 388.507 5.460 30 40 GKEB O=C(/C=C/c1sccc1Br)c1sccc1Br 4419602 GCYGNMQIGHBWSZ-OWOJBTEDSA-N 378.110 5.231 30 40 GKEB CCc1ccc(/N=C/c2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)cc1 8084381 ICAMPGBAPYVRPU-VULFUBBASA-N 397.877 6.380 30 40 GKEB C/N=c1/scc(-c2ccc(Cl)cc2Cl)n1/N=C/c1ccc(C)cc1C 103371899 UFXLYZKSZKVLRV-NXGKEPEESA-N 390.339 5.553 30 40 GKEB C=CCOc1ccc(NC(=S)NC2(c3ccc(OCC)cc3)CCCC2)cc1 225868119 OQZONFBGHXVTLT-UHFFFAOYSA-N 396.556 5.406 30 40 GKEB C=CCOc1ccc([C@@H]2Nc3c(C(=O)OCC)cccc3[C@@H]3C=CC[C@@H]32)cc1 408736107 FNUYTEICZPQKKC-DXIQSLLYSA-N 375.468 5.255 30 40 GKEB COc1ccc(N=C2NC(=O)/C(=C\c3cc(C(C)C)c(OC)cc3C)S2)cc1 408965792 MAQNAOOPBYMRBJ-UDWIEESQSA-N 396.512 5.027 30 40 GKEB C=CCOc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 409089493 ISROBCSORJFAKW-STPJHCLOSA-N 378.541 6.086 30 40 GKEB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/c2ccc(C)c(Cl)c2)cc1 409209490 BXRCTXDZGPDRNI-OEAKJJBVSA-N 399.899 5.475 30 40 GKEB O=C1/C(=N\OCc2cccc(C(F)(F)F)c2)c2ccccc2N1c1ccccc1 1387566 SOZKQKNLUJUHAG-QOMWVZHYSA-N 396.368 5.305 30 40 GKEB C[C@H]1C[C@@H](N(CCC#N)C(=S)Nc2cccc3ccccc23)CC(C)(C)C1 1735794 RUODPUXJTGTBHK-PKOBYXMFSA-N 379.573 5.967 30 40 GKEB CC(=O)[C@]12CCCC[C@H]1C[C@H]1[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 2123922 OAICPORQJIVREU-UMHLMJLPSA-N 382.588 6.140 30 40 GKEB biogenic CC(C)(C)c1ccc(/C=N\n2c(-c3ccc(C(C)(C)C)cc3)n[nH]c2=S)cc1 2293559 PEMLYUKDSUYUQI-IWIPYMOSSA-N 392.572 6.085 30 40 GKEB Oc1cccc(/C=N/c2cc(Cl)c(/N=C/c3cccc(O)c3)cc2Cl)c1 3525793 MIASZIBQNWTDOZ-ASIDMNOUSA-N 385.250 5.906 30 40 GKEB CCCCCCCc1c2c(C)c(C(=O)OCC)nc-2cc2n1[C@@H](C)C(C)=C2C 3671346 KKMTVJSSINAMEO-SFHVURJKSA-N 382.548 6.354 30 40 GKEB C=C(C)Cn1c([C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)nc2ccccc21 4033343 KCGKZUIRFDINTB-HNNXBMFYSA-N 399.416 5.152 30 40 GKEB Cc1ccc(C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)c2nc3ccccc3o2)cc1 4897724 RAJKYBNEGWVZIJ-XMHGGMMESA-N 384.391 5.468 30 40 GKEB Nc1cc(/N=C/c2c(O)ccc3ccccc23)cc(-c2nc3ccccc3o2)c1 5338606 SFQPUUSPKGDLND-VULFUBBASA-N 379.419 5.686 30 40 GKEB N#Cc1ccccc1COc1c(Cl)cc(C(=S)N2CCCC2)cc1Cl 6251811 JJQLEKBYJRXTCD-UHFFFAOYSA-N 391.323 5.215 30 40 GKEB Cn1c(-c2ccccc2)c(/C=N/c2cccc(C(F)(F)F)c2)c2ccccc21 6335007 KRXFWUVXNOOFQN-JFLMPSFJSA-N 378.397 6.615 30 40 GKEB Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=C1\COc2ccccc2C1=O 6784970 OQYWPQITZUQWCG-UKTHLTGXSA-N 385.250 5.146 30 40 GKEB Cc1ccc(/N=C/c2ccc(OCc3ccccc3)c(Br)c2)cc1 8371859 PLQWZGSRKKGAIL-OEAKJJBVSA-N 380.285 6.087 30 40 GKEB COc1ccc(/C=C2\Oc3cc(OC/C=C/c4ccccc4)ccc3C2=O)cc1 8764777 YLZLEFUOMWCKHB-WWFWFNCGSA-N 384.431 5.404 30 40 GKEB biogenic COc1ccccc1[C@@]1(CC/N=C/c2ccc(N(C)C)cc2)CCOC(C)(C)C1 18178941 GCWPPPWWCMIUBJ-YYLNTILESA-N 394.559 5.097 30 40 GKEB COc1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 59193712 KAWLBFJQFVPBJD-AWQFTUOYSA-N 378.284 5.572 30 40 GKEB O=c1cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)oc2ccc(Cl)cc12 97949769 BDBXAFALTDOITA-UHFFFAOYSA-N 398.608 5.371 30 40 GKEB CCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103525266 MKVVMPBOVPRQNY-UHFFFAOYSA-N 376.156 5.915 30 40 GKEB C=CCOC(=O)c1cc(Cl)c(OCc2ccc(F)cc2Cl)c(Cl)c1 226321925 ZVWFFQYENJTWKI-UHFFFAOYSA-N 389.637 5.708 30 40 GKEB Cc1ccc(/C=C2/C[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1 253525028 YMSNYXZYNBOINX-AGMULZKOSA-N 390.567 5.881 30 40 GKEB Cc1cc(/C=N/OCc2ccccc2C#N)c(C)n1-c1cc(Cl)ccc1Cl 408590760 HTUOXBJNDKLNPD-BRJLIKDPSA-N 398.293 5.823 30 40 GKEB CCn1c(N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)nc2ccccc21 408692747 UGSBDNCRTIUICD-FSJBWODESA-N 399.281 6.069 30 40 GKEB Cc1ccccc1/C=N/c1ccccc1-c1ccccc1/N=C/c1ccccc1C 2842654 HDYMCSGTWPNHMD-CZYCKNNWSA-N 388.514 7.472 30 40 GKEB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=N/c1ccc(OC(F)F)cc1 3233573 LYOYVNIEYMDEGR-AUEPDCJTSA-N 379.769 5.325 30 40 GKEB COc1ccc(/C=C(/C(=O)c2ccc(Cl)cc2)c2nc3ccccc3[nH]2)cc1 4864503 GSHMIYDAINIJRO-RGEXLXHISA-N 388.854 5.648 30 40 GKEB CCCOC(=O)c1ccc(/N=C/c2ccc3c(c2)c2ccccc2n3CC)cc1 5261262 DMHGGIGZHHMRAY-YZSQISJMSA-N 384.479 6.132 30 40 GKEB COc1cc(/C=N/c2cccc(Cl)c2C)ccc1OCc1ccc(F)cc1 8277940 QLZLWMPSRGZNDZ-DHRITJCHSA-N 383.850 6.126 30 40 GKEB Clc1ccc(-c2ccc(/C=N/NCc3ccccc3Cl)o2)c(Cl)c1 8811429 XHUGJCXDSSMQJR-FOKLQQMPSA-N 379.674 6.031 30 40 GKEB N#Cc1nc(-c2ccc(OCc3ccccc3Cl)cc2)oc1N1CCCCC1 13831698 QWECPENSLJXIMX-UHFFFAOYSA-N 393.874 5.436 30 40 GKEB CC(C)(C)c1ccc(-c2nnc(S)n2/N=C\C(Cl)=C\c2ccccc2)cc1 28352187 KULJHHVXYYYLFI-QWFULKMDSA-N 396.947 5.645 30 40 GKEB CCCCc1ccc(/N=C\c2ccc(/C=N/c3ccc(CCCC)cc3)cc2)cc1 96034865 OWDOPPGNUYIHFQ-DWVPNOFWSA-N 396.578 7.873 30 40 GKEB O=C(/C=C/C1=C[C@H](N2CCCC2)c2ccccc21)c1ccc(Br)cc1 97447436 ACCBVUDLFNHSRK-ZRFOIIEFSA-N 394.312 5.422 30 40 GKEB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1CC(=C1Nc3ccccc3N1)C2=O 118917017 LSAJYPFOWSXELJ-JSWGMPQBSA-N 390.571 6.347 30 40 GKEB COc1ccc(/N=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)cc1Cl 223551592 JCZRNGYMQAEWRZ-FRQJIFLKSA-N 384.951 6.600 30 40 GKEB CC1=NOC(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl 408937121 ICPKBXFUYMURGP-VIZOYTHASA-N 396.657 5.542 30 40 GKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3cccc(OCC#N)c3)c2C#N)C1 409080980 OROGFDLFCRRTRB-FRQJIFLKSA-N 377.513 5.424 30 40 GKEB CC(C)(C)C1=C(Cl)C(=O)[C@@](Cl)(c2ccccc2)C(=O)N1c1ccccc1 707766 KZWAARIHHJFPDI-NRFANRHFSA-N 388.294 5.233 30 40 GKEB COc1ccccc1[C@@H]1CCCCCC[C@@H]1OS(=O)(=O)c1ccc(C)cc1 1725322 HIXCEEZJIGIVRB-UNMCSNQZSA-N 388.529 5.216 30 40 GKEB CCN(CC)c1ccc(/C=N/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)cc1 1753938 FNZJQJQMGDRTLA-YZSQISJMSA-N 380.576 6.584 30 40 GKEB CCN(CC)Cc1c(O)ccc2c1O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 20646724 QIBPDFSXPJEMFW-ZDLGFXPLSA-N 392.282 5.157 30 40 GKEB COc1ccccc1CN/N=C/c1ccccc1OCc1cccc(Cl)c1 20761213 UFDMBPWQROYCEJ-MFKUBSTISA-N 380.875 5.051 30 40 GKEB Cc1cc(C[C@@](C)(C#N)c2cc(C)cc(C(C)(C)C#N)c2)cc(C(C)(C)C#N)c1 34866043 DSWIROKRYFYWHD-SANMLTNESA-N 383.539 5.930 30 40 GKEB in-vitro CCc1ccc(-c2nc3ccc(/N=C/c4cc([N+](=O)[O-])ccc4O)cc3o2)cc1 98086886 WNIKXJHMMWOZAI-YDZHTSKRSA-N 387.395 5.422 30 40 GKEB Cc1ccc(/N=C2/c3ccccc3-c3ccc(NC(=O)c4ccccc4)cc32)cc1 104334027 XIGXZAQWWAIPHR-SGEDCAFJSA-N 388.470 6.397 30 40 GKEB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)C(=O)/C(=C/c3cccs3)C[C@H]12 253497734 ADNXMRIHODUBNW-ZQXHDAJXSA-N 384.585 5.714 30 40 GKEB biogenic C=CCc1cc(C(=O)Nc2ccccc2Sc2ccccc2)ccc1OC 408702879 JKDYCOPEQYUPFJ-UHFFFAOYSA-N 375.493 5.827 30 40 GKEB CCc1ccc(/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 408739367 VXLPHUBISAPLSF-OEAKJJBVSA-N 381.317 6.170 30 40 GKEB CCOc1cc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)ccc1OC 408907053 LHRASPAXRVEXMP-QNQNADBQSA-N 396.512 5.106 30 40 GKEB Cc1ccc(COc2ccc(/C=N/c3ccc(C)c(Cl)c3)cc2Cl)cc1 409200021 FKTSLIAQMABTAZ-DHRITJCHSA-N 384.306 6.940 30 40 GKEB COc1cccc(/C=N/c2ccc(Nc3ccccc3)cc2)c1O[C@@H](C)C(=O)O 409227149 PLUGUKVWTVJOMA-WTJYETQFSA-N 390.439 5.041 30 40 GKEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccccc1F)Nc1ccccc1N2 720482 VWTJBNWEENSQDU-PSLXWICFSA-N 390.483 5.867 30 40 GKEB Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(C)c2)cc1 1077612 KKUYRVOWKGLJEO-KDYSTLNUSA-N 394.518 6.283 30 40 GKEB N#Cc1cccc(NC(=O)c2oc3ccccc3c2CSCc2ccccc2)c1 2654365 OVTMSHKDBZQLAN-UHFFFAOYSA-N 398.487 5.990 30 40 GKEB C[C@@H]1CC(C)(C)Cc2c1sc(NC(=O)c1ccc(C(C)(C)C)cc1)c2C#N 3235873 HJYXRFUEJJAUMD-CQSZACIVSA-N 380.557 6.245 30 40 GKEB N#Cc1ccc(COC(=O)[C@H]2CCCC[C@H]2c2nc3ccccc3s2)cc1 5938686 LFBSULNROOVKIS-MSOLQXFVSA-N 376.481 5.185 30 40 GKEB COc1ccc2c(c1)O[C@@H](C)C/C2=N/OC(=O)c1ccccc1-c1ccccc1 8267903 CRWNELKCHHRIQM-NOAXNCOGSA-N 387.435 5.094 30 40 GKEB Cc1cc(Cl)cc2c1S/C(=C1\Sc3c(C)cc(Cl)cc3C1=O)C2=O 17147974 HUGACAUYNJDGTB-ZCXUNETKSA-N 393.316 6.099 30 40 GKEB O=C(/C=C\Sc1c(Cl)c(Cl)nc(Cl)c1Cl)c1ccc(F)cc1 33376616 KNMJBZZTSLGPNW-WAYWQWQTSA-N 397.085 6.323 30 40 GKEB O=C1ON=C(c2ccccc2)/C1=C\c1ccccc1OCc1ccc(Cl)cc1 33921511 MABMOATWALFBKO-XSFVSMFZSA-N 389.838 5.264 30 40 GKEB COc1cc(-c2c(-c3ccccc3)c(C)[nH]c(=N)c2C#N)ccc1OCC(C)C 408980000 PHBBGSKZWPEOIN-UHFFFAOYSA-N 387.483 5.052 30 40 GKEB C=CCN1C(=O)S/C(=C/c2c(C)n(Cc3ccccc3)c3ccccc23)C1=O 409100487 OALGQPNROVUJLM-KGENOOAVSA-N 388.492 5.220 30 40 GKEB Cc1ccc(COc2ccc(Cl)cc2/C=N/c2ccc(C)c(Cl)c2)cc1 409210514 KPNYFPKDFWGRNX-DHRITJCHSA-N 384.306 6.940 30 40 GKEB O=C(COc1ccc(/C=N/c2ccccc2)cc1Cl)Nc1ccccc1F 409370317 OULADOMVDKCNGH-ZMOGYAJESA-N 382.822 5.247 30 40 GKEB CCOc1cccc(/C=N/c2ccc3oc(-c4ccccc4F)nc3c2)c1O 793523 GMQAHYYNPBDBII-ZMOGYAJESA-N 376.387 5.489 30 40 GKEB CCCCCCCCCn1c2ccc(OC)cc2c2nc3ccccc3nc21 2344266 IRXNTDDNZJEPRL-UHFFFAOYSA-N 375.516 6.497 30 40 GKEB N#Cc1ccc(C23CC4CC(CC(C4)C2)C3)nc1SCc1ccc(Cl)cc1 4734210 JHYIEHLGDCWICL-UHFFFAOYSA-N 394.971 6.367 30 40 GKEB O=C(N=C(c1ccccc1)c1ccccc1)c1ccc(C(=O)c2ccccc2)cc1 4946846 VZEHZVDNJGSGAG-UHFFFAOYSA-N 389.454 5.595 30 40 GKEB CCOc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCc1ccc(F)cc1 6961317 MVBLIZBPWQTYJQ-CVKSISIWSA-N 377.459 6.171 30 40 GKEB C/C(=N/Nc1ncnc2sc3c(c12)CCCC3)c1ccc(-c2ccccc2)cc1 33550316 NEHSUKXBOIRTPY-YUMHPJSZSA-N 398.535 6.073 30 40 GKEB COc1ccc(/C=N/CC[C@]2(c3ccccc3)CCOC(C)(C)C2)cc1OC 96448094 KTHVRAMBASNPCB-IOCYEQIYSA-N 381.516 5.040 30 40 GKEB biogenic CCCCCCCOc1ccccc1/C=C1\C(=O)N(c2ccccc2)N=C1C 97960140 XDRTVYHPNWZRGA-PYCFMQQDSA-N 376.500 5.842 30 40 GKEB CCCCCCCNCc1cccc(OCc2ccc(Cl)cc2Cl)c1 102568229 YXRFLWVAYKVVRX-UHFFFAOYSA-N 380.359 6.632 30 40 GKEB CC[C@@]1(c2ccccc2)CCCC/C1=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 104197308 DDDFWQHZAHRAMW-XXBRTLJISA-N 382.420 5.193 30 40 GKEB C(=N\c1oc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1)\c1ccccc1 104246007 JPQTXMYLDHKELO-OFWBYEQRSA-N 399.493 8.031 30 40 GKEB CCC(/C=C\c1ccccc1)=N/NC(=S)N/N=C(/C=C\c1ccccc1)CC 104312433 SJZONJBEAGQWKJ-XDKLXCAISA-N 390.556 5.409 30 40 GKEB CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c1C 140048364 ZKJRAKNRXCEPPM-ZMOGYAJESA-N 395.890 6.277 30 40 GKEB C=CCSc1ccccc1C(=O)NCCSCc1c(F)cccc1Cl 219803164 DHXYZHYXLOTFMF-UHFFFAOYSA-N 395.952 5.420 30 40 GKEB Cc1ccc(-c2csc(N/N=C/c3ccc(N(C)c4ccccc4)cc3)n2)cc1 408737405 PCSIYCJWFVSRCN-PCLIKHOPSA-N 398.535 6.332 30 40 GKEB CCN1C(=O)/C(=C\c2ccc(OC(C)C)cc2)S/C1=N\c1c(C)cccc1C 408907552 NPPFSPIYWAVVIH-ZSICUCBDSA-N 394.540 5.715 30 40 GKEB Fc1ccccc1COc1ccc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1 409095853 DOJZDCACHMUZNZ-KBKYJPHKSA-N 389.352 5.265 30 40 GKEB O=C(C=Cc1ccccc1)OCCOc1ccc(C=CC(=O)c2ccccc2)cc1 2049251878 XWOHHCSZHHLAAJ-UHFFFAOYSA-N 398.458 5.218 30 40 GKEB COc1ccccc1[C@H]1CCCCCC[C@H]1OS(=O)(=O)c1ccc(C)cc1 1725325 HIXCEEZJIGIVRB-IFMALSPDSA-N 388.529 5.216 30 40 GKEB CC1(C)CC(=O)C2=C(C1)[C@H](c1ccc(Cl)cc1)Nc1ccc3ccccc3c12 2059786 OLWKZDVZHRJWDX-DEOSSOPVSA-N 387.910 6.803 30 40 GKEB Cc1cc2nc(-c3ccc(/N=C/C=C/c4ccc([N+](=O)[O-])cc4)cc3)oc2cc1C 2756882 OFZPYPUJFCNQMO-DFJXIDDLSA-N 397.434 6.436 30 40 GKEB CCCCCCCc1ccc(-c2noc(-c3ccc(CCCCC)cc3)n2)cc1 3022785 QPZBURUWWDDSOB-UHFFFAOYSA-N 390.571 7.649 30 40 GKEB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)c1ccccc1 5603957 ZEJGJQDBKAHJLH-FOCLMDBBSA-N 390.442 6.182 30 40 GKEB FC(F)(F)c1ccccc1NC(=S)N/N=C1/CCCCc2ccccc21 5692512 DQSHUXODBNQOSK-JLPGSUDCSA-N 377.435 5.123 30 40 GKEB N#CC1(N[C@H](Cc2ccccc2)c2ccccc2)CCCCCCCCCCC1 6575249 VURHMTURSGMIMS-AREMUKBSSA-N 388.599 7.127 30 40 GKEB O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1Cl)Sc1ccccc1N2 7449867 PDQCRFGWDAUEAT-IBGZPJMESA-N 376.308 6.259 30 40 GKEB CCc1ccc(/N=C/c2ccc(OCc3ccccc3)c(Br)c2)cc1 8084621 KPWRYNGETSAUSM-BUVRLJJBSA-N 394.312 6.341 30 40 GKEB CCc1ccc(/N=C2/S/C(=C/c3cccc(Cl)c3Cl)C(=O)N2C)cc1 12463718 IOMXWQAXWSZBJD-BMIYWVGJSA-N 391.323 5.790 30 40 GKEB N#C[C@H](C(=O)c1cc2c(s1)CCCCC2)c1ncc(C(F)(F)F)cc1Cl 84338477 MHEPKPYFZOWRET-LBPRGKRZSA-N 398.837 5.574 30 40 GKEB CCCCCCCCN(CCCCCCCC)C(=N)c1ccnc2ccccc12 104323082 MPYLKLHSRRVGHR-UHFFFAOYSA-N 395.635 7.583 30 40 GKEB C=CCOc1ccc(Cl)cc1CNc1ccc(Br)c(Cl)c1 408554257 CCANYGHHWYXLJY-UHFFFAOYSA-N 387.104 5.933 30 40 GKEB Cc1ccc(/N=C\c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1Cl 408813331 MYFFJRNOLUEQMG-MXAYSNPKSA-N 396.849 5.556 30 40 GKEB COc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)ccc1O 408939257 MDLUVSUEKKPUQK-LRIBMLBNSA-N 396.490 5.978 30 40 GKEB O=C(O/N=C(/Cc1ccccc1)c1cccs1)c1ccc(Cl)cc1Cl 409059176 UVBAESXHLHWOBG-XLNRJJMWSA-N 390.291 5.859 30 40 GKEB C=CCc1cccc(CNc2nc3ccccc3n2CCCCCCCC)c1O 2251143 DLWKZBPSTOBMDK-UHFFFAOYSA-N 391.559 6.443 30 40 GKEB COc1cccc(-c2ccc(C#N)c(OC(=O)c3c(Cl)cccc3Cl)n2)c1 3128371 CJNXEPPAURGNDB-UHFFFAOYSA-N 399.233 5.155 30 40 GKEB aggregator COc1cc(Cl)cc(/C=N/c2ccc3oc(-c4ccc(C)cc4)nc3c2)c1O 3202471 NSILCCCWGQCGFP-WYMPLXKRSA-N 392.842 5.921 30 40 GKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3ccc(Cl)cc3)cc1)N2 4181631 VPIGVRSDCDFOAW-WCJVRYJWSA-N 398.937 7.226 30 40 GKEB COc1ccc(Nc2ccc(/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)cc2)cc1 4869140 YZZXKWCMOZHILE-LPYMAVHISA-N 381.819 5.751 30 40 GKEB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Oc2ccc(-c3ccc(C#N)cc3)cc2)c1C 7549894 YDKHMAFPRCTADV-KRWDZBQOSA-N 386.451 5.023 30 40 GKEB CCc1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccccc4)ccc3C2=O)cc1 13630052 FILDBVFDGMCBPX-SMDHAYCWSA-N 396.442 5.484 30 40 GKEB O=c1oc2ccccc2cc1-c1csc(N/N=C\c2ccccc2Cl)n1 13799768 XISIYVMTYZMATQ-FBHDLOMBSA-N 381.844 5.016 30 40 GKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1-c1ccc(/C=[N+](\[O-])c2ccccc2)o1 83308987 YOQBCHWUKOMOLA-JJFYIABZSA-N 376.290 5.135 30 40 GKEB C=CCOc1ccc(NC(=O)C(CC=C)(c2ccccc2)c2ccccc2)cc1 225935497 GHSBAGCPUASPMR-UHFFFAOYSA-N 383.491 5.752 30 40 GKEB Cc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1 253568026 KTKRNQZINZVBHA-WXJZPCGISA-N 378.519 6.881 30 40 GKEB CC[C@H](C)N1C(=O)/C(=C\c2ccccc2OC)S/C1=N\c1ccc(C)cc1 408907327 BCNNYQMBPCNVJH-HWEIEWAYSA-N 380.513 5.406 30 40 GKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(C#N)cc4)o3)S2)c(C)c1 409023854 KLPWUIHWZUDCEK-MTJSOVHGSA-N 399.475 5.327 30 40 GKEB Cc1cc(/C=N\c2sc3c(c2C#N)CCCC3)c(C)n1-c1ccccc1Cl 409063050 GDODKFPHEJSKAQ-MXAYSNPKSA-N 393.943 6.310 30 40 GKEB CCN1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)S/C1=N/c1ccc(F)cc1 409249607 UVGPZODLENNDIW-UNKKAUCCSA-N 382.504 5.747 30 40 GKEB COc1ccc(/C=N/CC[C@@H](c2ccccc2)[C@@H]2CCOC(C)(C)C2)cc1OC 4027129 NATKEWUCHCEYAD-WDTPLJCLSA-N 395.543 5.502 30 40 GKEB biogenic O=[N+]([O-])c1ccc(N/N=C2\CCC[C@@H]3CC=C4CCCC[C@H]4[C@@H]23)c([N+](=O)[O-])c1 5002490 RFHIUHRDJRIZSE-ABIFJWGJSA-N 384.436 5.208 30 40 GKEB C/C(=N\Oc1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1)c1ccccc1 5184385 OLIAGNRPXQPALX-YPXUMCKCSA-N 399.294 5.470 30 40 GKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3ccc(O)cc3)cc1)N2 5394496 XCVAGNAIAKKPKT-WVCIYJCBSA-N 380.491 6.278 30 40 GKEB C=CCc1cc(CN2CCC[C@@H]2c2cc3cccnc3[nH]2)cc(OC)c1OCC 12222178 ICZHPSUUJZTUBH-OAQYLSRUSA-N 391.515 5.036 30 40 GKEB C=CC[n+]1c(-c2ccc(Cl)cc2Cl)csc1Nc1cccc(C)c1 26570020 PVFZXFLNIMDCNK-UHFFFAOYSA-O 376.332 6.247 30 40 GKEB C=C(Br)Cn1c(CCCCCCCCCCC)nc2ccccc21 50704860 WYENPBYZYNTIFP-UHFFFAOYSA-N 391.397 7.018 30 40 GKEB Cc1ccc2nc(-c3ccc(/N=C/c4ccc(Cl)cc4Cl)cc3)oc2c1 100929502 BPTMJUCPDNMYJK-WYMPLXKRSA-N 381.262 6.861 30 40 GKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 252694659 NYOXRYYXRWJDKP-UQDSZOPGSA-N 384.648 7.597 30 40 GKEB biogenic Cc1ccc(-c2ccc(/C=N/c3cccc4ccccc34)o2)c(Br)c1 409228721 DAWFIAVIRLWKEI-ZVHZXABRSA-N 390.280 6.921 30 40 GKEB Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(F)c2)cc1 1076905 WJALYJZEKZQZGL-NIYFSFCBSA-N 398.481 6.114 30 40 GKEB CCc1ccccc1NC(=O)CSc1nc2c(C)ccc(C)c2cc1C#N 1354248 OXJKEGSOOGYHMU-UHFFFAOYSA-N 375.497 5.017 30 40 GKEB CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(O)c(Cl)c1 1408513 CUSOHXPMGYAPBH-UHFFFAOYSA-N 399.918 5.019 30 40 GKEB Cc1cc(Nc2cccc(Br)c2)n2c(nc3ccccc32)c1C#N 4623448 AOEGDVKKIXCSCJ-UHFFFAOYSA-N 377.245 5.174 30 40 GKEB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C/C(=C\c1ccc(Cl)cc1)C2=O 4672170 WCHUABIOEGJTRD-HFWLGXHLSA-N 392.926 6.164 30 40 GKEB COc1ccc(/N=C(\Nc2ccc(OC)cc2)c2cccc3ccccc23)cc1 5586458 PLZGNEWEVNYZOS-UHFFFAOYSA-N 382.463 6.047 30 40 GKEB N#Cc1ccccc1CSc1nnc(-c2ccccc2Cl)n1C1CCCC1 6849796 KLAWGGGTRYNQGZ-UHFFFAOYSA-N 394.931 5.878 30 40 GKEB Cc1nn(-c2ccccc2)c2c1[C@@H](C)C1=C(C[C@H](c3cccs3)CC1=O)N2 18197823 MMUZTYCZLMLMFX-HIFRSBDPSA-N 375.497 5.172 30 40 GKEB COc1ccc(-c2cc(-c3ccccc3)nc(/N=C/c3ccccc3)n2)c(O)c1 104314353 MYTFQVYDIFUCFS-PCLIKHOPSA-N 381.435 5.275 30 40 GKEB C/C(=C\N1CCCCC1)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 118923173 JEMSVASVIKMHRV-GTTJVPKQSA-N 395.631 6.524 30 40 GKEB CCCCc1ccc(/N=C/c2cc(C)n(-c3ccc4ncccc4c3)c2C)cc1 197615944 RPDVTYZRNWRMNI-MTDXEUNCSA-N 381.523 6.736 30 40 GKEB COc1ccc(CN/N=C(\C)c2ccc(Oc3ccccc3)cc2)cc1OC 216058781 ITTNRRWONUQJDZ-KOEQRZSOSA-N 376.456 5.010 30 40 GKEB CC(C)COc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1C#N 225755965 GVUJLMALYJFDQT-UHFFFAOYSA-N 376.500 5.434 30 40 GKEB Cc1ccc(Sc2ccc(/C=N\c3cccc(Cl)c3)cc2[N+](=O)[O-])cc1 409122056 WXRIKKXKFHVINP-XKZIYDEJSA-N 382.872 6.458 30 40 GKEB O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=C/C=C/c1ccccc1 409287477 VSQKUYQQFKVLGO-OZTHODQGSA-N 391.430 5.357 30 40 GKEB Cc1ccc(Cn2cc(/C=N/N=c3/[nH]c4ccccc4s3)c3ccccc32)cc1 2594729 BMXQIVAJEMBBPU-AFUMVMLFSA-N 396.519 5.476 30 40 GKEB CN1/C(=C/C=N/Nc2c(Cl)cc(Cl)cc2Cl)C(C)(C)c2ccccc21 6418939 RKIBYYFVJZZRHD-GUGPTSIKSA-N 394.733 6.356 30 40 GKEB CSc1ccc([C@@H]2Sc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1 7449891 SVVZQWOQBBNXTH-NRFANRHFSA-N 381.566 6.311 30 40 GKEB Cc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)c(C)c1 8368644 LJSVEXXHKIFHEN-AFUMVMLFSA-N 392.886 5.725 30 40 GKEB O=[N+]([O-])c1cc(Cl)cc(/C=N\c2ccccc2-c2nc3ccccc3o2)c1O 16450645 MWYQKINVBJWVJM-JJFYIABZSA-N 393.786 5.513 30 40 GKEB C/C(=N/Nc1cc(C(F)(F)F)ccc1Cl)c1cccc(C(F)(F)F)c1 35087326 XKERWGWPQXHKAU-OPVMPGTRSA-N 380.719 6.214 30 40 GKEB FC(F)(F)C(F)(F)Sc1ccc(SC(F)(F)C(F)(F)F)cc1 97949922 MQDNSAUYKAUKAB-UHFFFAOYSA-N 378.256 6.181 30 40 GKEB O=C(/C=C\c1ccccc1)C(C(=O)/C=C\c1ccccc1)C(=O)c1ccccc1 104345356 ZMDNJCKNYGMXBO-YGGBKCGDSA-N 380.443 5.051 30 40 GKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3cccc(Cl)c3C)c2C)cc1 408787258 VZJRXCNLMRAZAD-AFUMVMLFSA-N 394.902 5.983 30 40 GKEB Fc1cccc(-c2ccc(/C=N\c3ccc(I)cc3)o2)c1 409009287 CVGZUSWECQIDQN-JAIQZWGSSA-N 391.183 5.441 30 40 GKEB C=CCc1cc(CNc2cccc(C)c2C)cc(OC)c1OCc1ccccc1 409119767 UEEBTUGNXJAIFI-UHFFFAOYSA-N 387.523 6.232 30 40 GKEB N#Cc1c(Br)cc(-c2ccccc2)nc1SCc1ccccc1F 1028023 NQDQBORRTUDNCM-UHFFFAOYSA-N 399.288 5.814 30 40 GKEB C=CCn1c(-c2ccc(Br)cc2)cs/c1=N\c1cccc(C)c1C 2677111 LHUJBXBANOVYNH-XDOYNYLZSA-N 399.357 6.014 30 40 GKEB O=[N+]([O-])c1cccc(/C=N/c2cccc(-c3nc4cc(Cl)ccc4o3)c2)c1O 3068816 VUNSZZIRYOJIKI-SSDVNMTOSA-N 393.786 5.513 30 40 GKEB Cc1ccccc1N/N=C(\C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 4175317 JOTGRQYYDZLKEH-LFVJCYFKSA-N 387.295 5.765 30 40 GKEB Clc1ccccc1Oc1ccc(/N=C/c2ccc(N3CCOCC3)cc2)cc1 4675352 MASVKEHEYVZCNN-KOEQRZSOSA-N 392.886 5.720 30 40 GKEB C=CCn1c(S[C@H]2CCCCCC2=O)nnc1-c1ccc(Cl)cc1Cl 12988830 DXQWQCDUHLAVML-INIZCTEOSA-N 396.343 5.432 30 40 GKEB Cc1ccc(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)c(C)c1 24755373 DOIWDQGOWPPKNI-QGZVFWFLSA-N 378.522 5.396 30 40 GKEB C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccc(C(=O)OCC)cc1 28627941 PAXHAZFTNSSBJA-LNVKXUELSA-N 398.915 5.465 30 40 GKEB N#Cc1ccc(C(=O)N(Cc2ccc(-c3ccccc3Cl)s2)C2CC2)cc1 40069415 YPJAVQFRUVBLKU-UHFFFAOYSA-N 392.911 5.745 30 40 GKEB CCOc1ccc(/N=C(\Oc2cccc(Cl)c2)c2ccc([N+](=O)[O-])cc2)cc1 103749764 ZPMBQGSMOVMQML-LNVKXUELSA-N 396.830 5.804 30 40 GKEB CCCC/C=N/NC(=S)NCCCCCCCCCCCCCCCC 104376910 IONSLGUKLOCFAL-DARPEHSRSA-N 383.690 7.108 30 40 GKEB Cc1cc(/C=N\Nc2ccccc2)cc(C)c1OCc1ccc(Cl)c(Cl)c1 408859492 XIISTSCMCPWZEP-MXAYSNPKSA-N 399.321 6.635 30 40 GKEB COc1ccc(Br)cc1/C=N/c1c(C)nn(-c2ccccc2)c1C 408978012 XQBUFPVFMPXNBM-CIAFOILYSA-N 384.277 5.011 30 40 GKEB O=[N+]([O-])c1cccnc1N/N=C/c1ccc(Sc2ccc(Cl)cc2)s1 409024427 XYEGSVLSNQVSSK-VXLYETTFSA-N 390.877 5.302 30 40 GKEB CC1=NOC(=O)/C1=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1 409081602 QJPYTPUSBTVIJH-CHHVJCJISA-N 396.657 5.542 30 40 GKEB COc1cc([C@H]2Nc3c(ccc4ccccc34)C3=C2C(=O)CC(C)(C)C3)ccc1O 684734 QMBWASKVCKQXQK-XMMPIXPASA-N 399.490 5.864 30 40 GKEB C=CCn1c(-c2ccc(Cl)cc2Cl)cs/c1=N\c1cccc(C)c1 2676741 PVFZXFLNIMDCNK-QOCHGBHMSA-N 375.324 6.250 30 40 GKEB C=CCOc1ccc2ccccc2c1/C=N/c1ccc(Oc2ccccc2)cc1 6295872 ALGSIWDHTLKWLL-ZXVVBBHZSA-N 379.459 6.948 30 40 GKEB C=CCSc1ncc(-c2ccc(C)cc2)n1-c1ccc(OC(F)(F)F)cc1 44087982 CRCYKZMQWJDISR-UHFFFAOYSA-N 390.430 6.024 30 40 GKEB Cc1cc(OCCn2cc(C#N)c3cc(Br)ccc32)ccc1Cl 59109385 IAMHYTYTWFFRAV-UHFFFAOYSA-N 389.680 5.316 30 40 GKEB CCN(CC)c1ccc(/C=C2\S/C(=N\c3ccc(C)c(C)c3)NC2=O)cc1 59223985 OKENBEVLNBGYEV-ZHZULCJRSA-N 379.529 5.041 30 40 GKEB CCCOc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1OCC 59566311 ANGFQCPMKDKTLZ-VZUCSPMQSA-N 389.289 5.533 30 40 GKEB CCCCCCCCCCCCCCN1C(=O)c2ccccc2S1(=O)=O 104250059 JIXLKBHXBMAHGM-UHFFFAOYSA-N 379.566 5.532 30 40 GKEB CCCCCCCCCCCCCCCCc1c(C)nc(N(C)C)oc1=O 104267791 RGFIDHVARLERED-UHFFFAOYSA-N 378.601 6.433 30 40 GKEB Cc1ccc(-c2oc(/C=N\c3ccccc3)c([N+](=O)[O-])c2-c2ccc(C)cc2)cc1 104302585 YHIAXMWOWGCPTE-QQXSKIMKSA-N 396.446 6.889 30 40 GKEB CCn1nccc1/C=C1/C[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)C1=O 118916113 LWLNXMRZXSNPHH-JBAKOBNASA-N 380.576 5.898 30 40 GKEB C=CCc1cc(C(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)ccc1OC 223318041 LAEZEBHIAGMJIC-KRWDZBQOSA-N 381.516 5.355 30 40 GKEB CC(C)(C)c1ccc(-c2n[nH]c(=S)n2N=C/C(Cl)=C/c2ccccc2)cc1 254593394 KULJHHVXYYYLFI-LEGYYREDSA-N 396.947 6.019 30 40 GKEB CCCCc1ccc(/N=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cc1 408967994 TXXJZAFCGHGFPF-TURZUDJPSA-N 386.583 7.485 30 40 GKEB CC1(C)CC(=O)C2=C(C1)[C@@H](c1ccc(Cl)cc1)Nc1ccc3ccccc3c12 2059787 OLWKZDVZHRJWDX-XMMPIXPASA-N 387.910 6.803 30 40 GKEB CCCCCCCC(=O)Nc1scc(-c2ccc(F)cc2)c1C(=O)OC 2088200 IMNMKCDMOITKIP-UHFFFAOYSA-N 377.481 5.640 30 40 GKEB CC1=CC[C@H]2C(C)(C)/C(=N\O)CC[C@]2(C)[C@H]1COc1ccc2ccc(=O)oc2c1 4025761 QYLWHDVJPCDLGF-MYKDGLNWSA-N 395.499 5.411 30 40 GKEB biogenic CCO[C@@H]1C[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=C(C)O1 4721157 ARJPPIIZDXIWHR-QYNUYSTRSA-N 384.560 5.801 30 40 GKEB COc1cc(/C=N/Nc2ccc3ccccc3c2)ccc1OC(=O)c1ccco1 5258693 AUZTVJWXFRNOKA-BUVRLJJBSA-N 386.407 5.107 30 40 GKEB Cc1c(/N=C/c2c(O)ccc3ccccc23)cccc1-c1nc2ncccc2o1 6043938 FDNLWSMVCBFTDV-VULFUBBASA-N 379.419 5.808 30 40 GKEB Clc1ccccc1CN/N=C/c1cccc(OCc2ccccc2Cl)c1 8811598 XPYQYRLHIWOVOL-ZMOGYAJESA-N 385.294 5.696 30 40 GKEB O=C(O)c1ccc(Cl)c(-c2ccc(/C=N/Nc3nc4ccccc4s3)o2)c1 9233457 RRLUNOVQVXXMKP-UFFVCSGVSA-N 397.843 5.354 30 40 GKEB N#Cc1c(-c2cccs2)cc(C2CC2)nc1SCc1ccc([N+](=O)[O-])cc1 12062436 FEZFGCLIXVDGGC-UHFFFAOYSA-N 393.493 5.760 30 40 GKEB N#Cc1nc(-c2ccc(Cl)cc2)oc1NC[C@@H](c1ccco1)N1CCCCC1 27994422 UVRSOPLOKVOQRC-SFHVURJKSA-N 396.878 5.099 30 40 GKEB COc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1[N+](=O)[O-] 409090019 OCHRMUPXXCWJBG-CHOFVFFHSA-N 397.500 5.438 30 40 GKEB CC[C@H](C)n1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c2ccccc21 409217062 NQJDLXQMZANDEN-BBQTXBMFSA-N 383.561 5.701 30 40 GKEB Sc1nnc(-c2ccc(Cl)cc2)n1/N=C\c1ccc(Cl)cc1Cl 4679481 SFJFICNYUUMUBC-UWVJOHFNSA-N 383.691 5.076 30 40 GKEB COc1ccc(C(=O)/C=C/c2ccc(-c3ccc(Br)cc3)o2)cc1 5193707 PREQHFHIXCWRLR-ZRDIBKRKSA-N 383.241 5.614 30 40 GKEB COc1cccc(/N=C/c2cc(Cc3ccccc3)cc(Br)c2O)c1 6174676 IGZINDBTCPIDFV-OEAKJJBVSA-N 396.284 5.505 30 40 GKEB Cc1ccc(C)c(/N=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)c1 8367805 JWNZCIVWGRYGRJ-LQKURTRISA-N 399.921 7.440 30 40 GKEB CCCCCCCCCCCCCCCCN1C2=NCCN2c2ccccc21 8424848 AKSBSVCZXXYXEQ-UHFFFAOYSA-N 383.624 7.164 30 40 GKEB COc1cccc([C@H]2Sc3ccccc3NC3=C2C(=O)CC(C)(C)C3)c1OC 14671943 OOKHYCGSSNZBHB-JOCHJYFZSA-N 395.524 5.606 30 40 GKEB COc1ccc(/C=N/c2cccc3c(/N=C/c4ccc(OC)cc4)cccc23)cc1 18023081 IOJULEMVKXWTOZ-XUIWWLCJSA-N 394.474 6.358 30 40 GKEB N#Cc1c(N)nc2c(c1N)[C@@H](c1ccc(Cl)cc1)c1ccc3ccccc3c1O2 22145491 ZWFCJBALHHWLJY-SFHVURJKSA-N 398.853 5.210 30 40 GKEB O=C(/C=C\c1cccn1-c1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1 33681342 KRIONOPZNHZZFC-FPLPWBNLSA-N 376.670 6.334 30 40 GKEB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)/C(=C\c1ccccc1)C(=O)c1ccccc1 36056605 LHTRLJFFJJYZCU-AIXDHECCSA-N 390.523 5.957 30 40 GKEB Cc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)oc2c1C(=O)CCC2 40134080 FPYVXTOCLFTDFY-IBGZPJMESA-N 384.435 5.015 30 40 GKEB C=CCn1c(-c2ccc(C)cc2)cnc1SCC(=O)Nc1cccc(Cl)c1 44085719 TXNVJVSORGTZCO-UHFFFAOYSA-N 397.931 5.429 30 40 GKEB CCCCCCCCCCCCCCCCCCn1c(=O)[nH]c2ccccc21 100863975 YMTBIVMJSPKUAN-UHFFFAOYSA-N 386.624 7.591 30 40 GKEB CCc1ccccc1-n1c(C)cc(/C=N/c2ccc(N3CCOCC3)cc2)c1C 148608837 GYZOMFFMDIFFNO-NLRVBDNBSA-N 387.527 5.244 30 40 GKEB C=CCOc1ccc(NC(=S)N[C@@H](c2ccccc2)c2cccc(C)c2)cc1 225700880 UJSIQVHWSFHJHT-QHCPKHFHSA-N 388.536 5.636 30 40 GKEB N#Cc1ccc(C(=O)Nc2ccc3oc(-c4cccc(Cl)c4)nc3c2)c(F)c1 408621409 MEFLFBDIJPTBHP-UHFFFAOYSA-N 391.789 5.411 30 40 GKEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(C(C)(C)C)cc3)c2C)cc1 408741291 IDIFZHOJFHQWKV-WGOQTCKBSA-N 388.511 5.929 30 40 GKEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3cccc4ccccc34)c2C)cc1 408741435 IVTDIVNEPBMKIN-WGOQTCKBSA-N 382.463 5.785 30 40 GKEB O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccccc1F)Nc1ccccc1N2 856586 SZRHPNBUNPFIFI-NSYGIPOTSA-N 384.454 5.805 30 40 GKEB O=C(N(C1CCCCC1)C1CCCCC1)C(F)(F)C(F)(F)OC(F)(F)F 2284788 ZROIYQPTPJYQNW-UHFFFAOYSA-N 393.343 5.245 30 40 GKEB Cc1ccc(-c2nc3ccccc3s2)cc1/N=C/C=C/c1cccc([N+](=O)[O-])c1 5546528 INTDBXDBHDSNJC-GHRZAKMRSA-N 399.475 6.596 30 40 GKEB Cc1ccc(Sc2c(/C=N/c3ccccc3)c(C)nn2-c2ccccc2)cc1 6996088 ZRYRDFYYMMYQII-KOEQRZSOSA-N 383.520 6.391 30 40 GKEB N#C[C@@H](c1ccc(Cl)cc1)c1cccc([C@@H](C#N)c2ccc(Cl)cc2)n1 13222838 HDHWCVHVEDSRTI-OALUTQOASA-N 378.262 5.699 30 40 GKEB CCCCOC(=O)CCCCCCC/C=C\[C@@H]1C=C[C@@H](CCCC)C[C@@H]1C#N 17145844 WGKZWDKWFFLRAI-AHHWWQJCSA-N 387.608 7.139 30 40 GKEB CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(F)cc(F)c1 18172867 FJWVRMSGWBVEOK-JOCHJYFZSA-N 396.437 5.128 30 40 GKEB Cc1n[nH]c2c1[C@@H](c1ccc(Cl)cc1)C1=C(C[C@H](c3cccs3)CC1=O)N2 18197792 AQQLIJICJLICLL-ORAYPTAESA-N 395.915 5.391 30 40 GKEB CC(=O)c1ccccc1/N=C(\C)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 100643612 FKUJAIJZDOOEDA-WGOQTCKBSA-N 396.446 5.040 30 40 GKEB CCCCCCCCCCCCc1ccc(Nc2ccc(C(=O)OC)cc2)cc1 102054372 VSUGBWCBSWUJGA-UHFFFAOYSA-N 395.587 7.680 30 40 GKEB Cc1ccc(/N=C/c2c(-c3ccccc3)n(-c3ccccc3)c3ccccc23)cc1 102957954 JPBISMLYFHXVSL-ZTKZIYFRSA-N 386.498 7.357 30 40 GKEB N#Cc1cc(N)c(Oc2cccc(Cl)c2)n1Cc1ccc(Cl)cc1Cl 225881916 PATHYEQCNODUQO-UHFFFAOYSA-N 392.673 5.743 30 40 GKEB Cc1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)c(C)n1C1CCCCC1 408742250 VOTSALXQPJANTF-ZHZULCJRSA-N 379.529 5.502 30 40 GKEB CCOc1ccc(N=C2NC(=O)/C(=C/c3ccc(Cl)c(Cl)c3)S2)cc1 408744126 YUFNVMYABAYZMS-YBEGLDIGSA-N 393.295 5.284 30 40 GKEB Cc1ccccc1-n1cccc1/C=N/Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409103693 FBANUZRPBWPVAV-FSJBWODESA-N 388.349 5.159 30 40 GKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C/c3cccs3)c2C#N)C1 672669 JZHARFAGUZBPOZ-QSYFUGGGSA-N 384.570 5.874 30 40 GKEB O=C1C[C@@H](c2ccc(Cl)cc2)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)O1 1390829 KIZZGYPNLVSPQY-PBHICJAKSA-N 387.262 5.425 30 40 GKEB Oc1cc(/N=C/c2ccc(-c3ccc(F)cc3)o2)ccc1-c1nc2ccccc2o1 1431083 VGGNIRQYYHNDAK-VULFUBBASA-N 398.393 6.350 30 40 GKEB COc1ccc(/C=C2\CCc3ccccc3C2=O)cc1COc1c(C)cccc1C 2224396 UMMCAMMPHREIFG-PXLXIMEGSA-N 398.502 6.104 30 40 GKEB Cc1[nH]c2ccccc2c1/C=N/c1oc(-c2ccco2)c(-c2ccco2)c1C#N 3238372 ODXHDIHSIPZAIU-DHRITJCHSA-N 381.391 6.212 30 40 GKEB CC(C)(C)c1ccc(CO/N=C2\C(=O)N(c3ccccc3)c3ccccc32)cc1 4013163 FDHQQABWCGWZEO-RWEWTDSWSA-N 384.479 5.583 30 40 GKEB N#C[C@H](c1ccccc1)c1ccc(NC(=S)Nc2ccccc2)cc1Cl 6616152 JHXIQLBLSYOAPP-LJQANCHMSA-N 377.900 5.804 30 40 GKEB C=CCN(Cc1cccs1)C(=O)N[C@@H](c1ccccc1)c1ccc(OC)cc1 9517072 URWVNRKGMYMIBZ-QFIPXVFZSA-N 392.524 5.244 30 40 GKEB C/N=c1\scc(-c2ccc(Cl)c(Cl)c2)n1/N=C/c1cc(C)ccc1C 12603446 GCVDBDOBCWINIJ-MXJOPYGZSA-N 390.339 5.553 30 40 GKEB Cc1c(C(=O)O)cccc1-c1ccc(/C=N/Nc2ccc(Br)cc2)o1 13138726 XSWMZGMUJQTAAH-SRZZPIQSSA-N 399.244 5.162 30 40 GKEB COc1ccc(/C(=N\O)[C@@H](c2ccc(OC)cc2)C(Cl)(Cl)Cl)cc1 16955372 VSRPXVYUPJAQCY-JJTVEENBSA-N 388.678 5.036 30 40 GKEB CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1 20503297 HEALUKCCTYDROI-HSZRJFAPSA-N 378.472 5.367 30 40 GKEB Cc1ccc(NC(=O)c2c(/N=C/c3ccc(O)cc3)sc3c2CCCC3)cc1 100386169 XPCWRZBZHKMQEM-ZVHZXABRSA-N 390.508 5.644 30 40 GKEB C=CCOc1ccc(NC(=S)NCCCc2cccc3ccccc23)cc1 225809257 JQOATFTVTDTESX-UHFFFAOYSA-N 376.525 5.324 30 40 GKEB C=CCOc1cccc(NC(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)c1 408573918 FJIMHUYFCSCACZ-JJIBRWJFSA-N 385.463 5.439 30 40 GKEB O=C(/C=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)c1ccccc1 408620484 JKWLFZDWGZWICX-FMIVXFBMSA-N 383.274 6.469 30 40 GKEB COc1ccc(C(=O)/C=C/c2cn(Cc3ccc(C)cc3)c3ccccc23)cc1 408653367 IVBNLEGQTHZEQZ-DTQAZKPQSA-N 381.475 5.903 30 40 GKEB CCOc1ccc(/C=N/c2ccc(C(C)C)cc2)cc1I 408905372 XZIJLQKAERCYST-UDWIEESQSA-N 393.268 5.564 30 40 GKEB C=CCn1c(C)c(/C=N/CCNc2cccc3ccccc23)c2cccc(C)c21 409040061 HGRBOJGBOWHXIY-OVVQPSECSA-N 381.523 6.128 30 40 GKEB C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(Cl)c3C)c2C)C1=O 409096930 MOXUYOMWUWEDQL-WOJGMQOQSA-N 386.904 5.278 30 40 GKEB CSc1ccc(Cl)c(C(=O)Nc2sc3c(c2C#N)CCCCCC3)c1 2767713 OLHPPXIHARVAJV-UHFFFAOYSA-N 390.961 5.906 30 40 GKEB COc1ccc(C2=NN([C@@H](C#N)c3ccc(OC)cc3)[C@@H](c3ccccc3)C2)cc1 4580535 PQOONWXYKHRVJH-RPBOFIJWSA-N 397.478 5.120 30 40 GKEB aggregator C[C@]12C/C(=C/C(F)(F)F)C(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)O)CC[C@@H]12 4720704 GQVSUOMNKPEXIZ-AGXJKPRRSA-N 398.465 5.398 30 40 GKEB Cn1c2ccccc2c2cc(/C=C/C(=O)c3ccc4ccccc4c3O)ccc21 4812571 LYGKLNSLEDDWLG-RVDMUPIBSA-N 377.443 6.086 30 40 GKEB biogenic,in-vitro C=CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccs2)cc1 4879689 VKZRSHLBGQBFCS-NFBKMPQASA-N 388.492 5.555 30 40 GKEB CCOc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(Cl)cc3Cl)S2)cc1 5551072 FHLPFAKOLQCINF-SXGWCWSVSA-N 393.295 5.284 30 40 GKEB COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/N2[C@H](C)CCC[C@H]2C)cc1 5754241 HRMBZKUVEURQED-MZMQKINNSA-N 388.515 5.145 30 40 GKEB Clc1cccc(-c2ccc(/C=N/NCc3c(Cl)cccc3Cl)o2)c1 9195493 JJXMUGSBRLHVML-LSHDLFTRSA-N 379.674 6.031 30 40 GKEB Cc1ccccc1/N=N/C(=N\N=c1\[nH]c2ccccc2s1)c1ccccc1O 13600738 KLXUPQKIIDXUHO-SVTQBPDFSA-N 387.468 5.290 30 40 GKEB O=C(COc1ccc2ccccc2c1)Nc1cccc(C#Cc2cccs2)c1 32905242 XXPVGYMBTNUGEX-UHFFFAOYSA-N 383.472 5.319 30 40 GKEB CCCCCCCOc1ccc(OC(=O)c2ccc(CCCCCC)cc2)cc1 100928758 KANBHYSHOINPKP-UHFFFAOYSA-N 396.571 7.378 30 40 GKEB CCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 408738139 QEARIBNOFPARAL-ZVHZXABRSA-N 380.875 5.675 30 40 GKEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(Cl)c(Cl)c3)S2)cc1 408764276 SRIPYIVAWKWMLH-YBEGLDIGSA-N 377.296 5.447 30 40 GKEB Cc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)o1 408970621 JKIZEMHFSXEKBN-BUVRLJJBSA-N 392.524 6.311 30 40 GKEB CCOc1cc2c(cc1/C=N\c1ccc(Oc3cccc(Cl)c3)cc1)OCO2 409108326 WBBRQPODZPRACW-CFRMEGHHSA-N 395.842 6.010 30 40 GKEB c1ccc(C(=NCCN=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1 1601669 FIGOKMMIHCSNRE-UHFFFAOYSA-N 388.514 6.062 30 40 GKEB C=C(C)Cn1c(SCCC(C)C)nc2sc3c(c2c1=O)CC(C)(C)OC3 2315010 VVRRDZZZIKZOCA-UHFFFAOYSA-N 392.590 5.024 30 40 GKEB O=C(O)c1ccc(N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)cc1 4699465 MDGBJOWLORLWRB-WGOQTCKBSA-N 396.446 5.563 30 40 GKEB CCn1cc([C@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)[N+](=O)[O-])c2ccccc21 4812423 WKAMWHBBSVNVKS-ZEQRLZLVSA-N 398.462 5.321 30 40 GKEB O=C1ON=C(c2ccc(Br)cc2)/C1=C/c1ccc(Cl)cc1Cl 5863131 BHQPWWHSFIFUPU-QPEQYQDCSA-N 397.055 5.100 30 40 GKEB CC(C)Oc1ccc(C(=O)/C(=C\c2cccs2)c2nc3ccccc3o2)cc1 12377895 UDXLXTNUGFXMBQ-XMHGGMMESA-N 389.476 6.100 30 40 GKEB aggregator N#C[C@@]12CCCC[C@H]1C(c1ccccc1)[C@H]1CCCC[C@@]1(C#N)N2c1ccccc1 13510104 KTRYHAULWNUHQF-FJDJSMGUSA-N 395.550 6.196 30 40 GKEB Oc1ccccc1/C=N\N=C(/C=C\c1ccccc1Cl)c1ccc(F)cc1 16922735 PQAZVBGWMZXENT-YTUFDKHASA-N 378.834 5.721 30 40 GKEB Nn1c(-c2ccc(Cl)cc2)c(-c2ccccc2)s/c1=N/N=C1CCCCC1 33660567 LNIRDQQTCVOZAG-NJNXFGOHSA-N 396.947 5.472 30 40 GKEB CCCCCCCCOc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1 103260163 XZBXBDAZLUGVPA-UHFFFAOYSA-N 382.456 5.611 30 40 GKEB CCCCCCCCCCC/C(C)=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 104183172 ZPNJCPMKFBBQHB-SILNSSARSA-N 378.473 6.212 30 40 GKEB COc1cc2c(cc1Br)Cc1c([nH]c3cc(C#N)ccc13)C2(C)C 114800839 PVNHNJNRGGUTKX-UHFFFAOYSA-N 381.273 5.041 30 40 GKEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccccc1)C2=O 118916309 PORULZDRKHXBSZ-KSKASLARSA-N 376.540 5.573 30 40 GKEB Cn1c(=O)c(C(=O)/C=C/C=C/c2ccccc2)c(-c2ccccc2)c2ccccc21 226786751 KYVQXWMGYJHNGG-QDROSBNTSA-N 391.470 5.658 30 40 GKEB CCCCCCCCCCCCCCCC(=O)OC12CC3CC(CC(C3)C1)C2 408730021 DHYOFJLYSZOWAE-UHFFFAOYSA-N 390.652 7.980 30 40 GKEB CC[C@H](C)Oc1ccc(Cl)cc1/C=N/NC(F)(F)C(F)(F)C(F)(F)F 409040645 TVUXKWDKFDRRAR-AGAGKTNKSA-N 394.718 5.231 30 40 GKEB Cc1ccc(/N=C/c2ccc(OCc3ccccc3F)c(Cl)c2)cc1Cl 409203246 WECSVEHHIZPARY-BRJLIKDPSA-N 388.269 6.771 30 40 GKEB Cc1cccc(NC(=O)CSc2nc3c(C)ccc(C)c3cc2C#N)c1C 1223960 NFDIMYUTOCYZEC-UHFFFAOYSA-N 375.497 5.071 30 40 GKEB Cc1ccc(CSc2nncn2/N=C/c2ccc(Cl)c(Cl)c2)cc1 1780611 WDECFXNIVBWUBW-ZVBGSRNCSA-N 377.300 5.068 30 40 GKEB CCCC[C@H](CC)C(=O)OC1=C(c2c(C)cc(C)cc2C)C(=O)c2ccccc21 4655632 VPZWBKSYSNFFTK-IBGZPJMESA-N 390.523 6.436 30 40 GKEB COc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 8116583 CEGVTGNJYRMJNA-ZVHZXABRSA-N 381.859 5.687 30 40 GKEB CC/C(=N\N=C(/S)Nc1cc(C)ccc1C)c1ccc(OC(F)F)cc1 8687616 NNPZJJMJXISPLB-XQNSMLJCSA-N 377.460 5.417 30 40 GKEB O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccco1)n1c(nc3ccccc31)N2 9110471 DJCDGSVNDVIMCJ-MWTRTKDXSA-N 381.435 5.045 30 40 GKEB N#Cc1nc(/C=C/c2cccs2)oc1N1CCC(Cc2ccccc2)CC1 16768499 BAJVBNSOXNGRTL-CMDGGOBGSA-N 375.497 5.237 30 40 GKEB CCCCCCCn1c([C@H]2CC(=O)N(c3ccccc3C)C2)nc2ccccc21 50860525 NYMUWOBSNFRPBA-FQEVSTJZSA-N 389.543 5.836 30 40 GKEB Cc1ccc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)o1 100143130 IORSNXOKOPZIJR-PZUCIDFCSA-N 388.492 5.261 30 40 GKEB CCCCCCCCN(CCCCCCCC)C[C@@H](O)c1ccccc1Cl 100691150 DUIWTCPGYUDDGX-XMMPIXPASA-N 396.059 7.396 30 40 GKEB CCCCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)c(C#N)c1 225756174 LBXDNODPNPDWKL-UHFFFAOYSA-N 376.500 5.578 30 40 GKEB C#CCOc1ccc2ccccc2c1/C=C1\SC(=Nc2cccc(C)c2)NC1=O 408806272 AHVJZRLPSVOSJZ-JCMHNJIXSA-N 398.487 5.052 30 40 GKEB CC[C@@H](C)N1C(=O)/C(=C\c2ccc(O)c(OC)c2)S/C1=N\c1ccc(C)cc1 408916044 UCHUDRCYKRSMJO-SAFFEFKRSA-N 396.512 5.112 30 40 GKEB FC(F)(F)c1ccc(N/N=C\c2ccc(Sc3ccc(Cl)cc3)o2)cc1 408931540 MZBSIPAOBLUSFU-KSEXSDGBSA-N 396.821 6.549 30 40 GKEB C=CCN1C(=O)S/C(=C/c2cc(Cl)c(O[C@H](C)CC)c(OCC)c2)C1=O 409070145 XSTMUWIHDVFSFX-PILJQMSFSA-N 395.908 5.138 30 40 GKEB COC(=O)c1ccc(/C=N/c2ccc(-c3nc4cc(C)ccc4o3)cc2C)cc1 3042751 YQKMASFDOGDCDT-AFUMVMLFSA-N 384.435 5.649 30 40 GKEB O=C1/C(=C/c2cn(CCOc3ccccc3)c3ccccc23)Sc2ccccc21 3656399 HMTHIBXNDKNYHX-JLPGSUDCSA-N 397.499 6.050 30 40 GKEB Cc1ccc(N=C2c3ccccc3C(=Nc3ccc(C)cc3)c3ccccc32)cc1 4265384 OCZOJSIMMQANHL-UHFFFAOYSA-N 386.498 6.955 30 40 GKEB biogenic Cc1ccc(OCc2ccc(-c3nc(C#N)c(NCc4ccccc4)o3)o2)cc1 8844488 OPXYKIWEPCAGAM-UHFFFAOYSA-N 385.423 5.306 30 40 GKEB CCOC(=O)Nc1sc(N/N=C/c2ccc(C)cc2)nc1-c1ccc(C)cc1 16806347 RLWSJRWESMQQLC-LPYMAVHISA-N 394.500 5.441 30 40 GKEB CCCC/N=C(\N=C(\NC(=O)c1ccccc1)c1ccccc1)c1ccccc1 17123603 XFNYUOLKNLNYGG-UHFFFAOYSA-N 383.495 5.110 30 40 GKEB CCCCCCCC/C=C/CCCCCCCCCCCCCC(=O)OC 85922259 AINIZSBLAFHZCP-ZHACJKMWSA-N 380.657 8.538 30 40 GKEB CCCCCCCC(=O)Oc1ccc(C(=O)/C=C/c2ccc(C(C)C)cc2)cc1 100165707 PMNFAXDABDXOHD-XDHOZWIPSA-N 392.539 6.972 30 40 GKEB CCOCCN1C(=O)/C(=C/c2ccc(SC)cc2)S/C1=N/c1ccccc1 100291126 MSJCREOPKYFQCB-LRXSNBMBSA-N 398.553 5.049 30 40 GKEB CCn1cc(/C=C2/C[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]3(C)C2=O)c(C)n1 245240927 VFYSTCQWVDOPQD-WWEYDVOASA-N 390.527 5.036 30 40 GKEB Cc1cc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1-c1ccc(N(C)C)cc1 408743094 ZFDLEKBJJWHWQJ-YDZHTSKRSA-N 396.878 5.472 30 40 GKEB CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccc(C(=O)OC)cc2)cc1OC 409377326 GIYRDAIQMLOSTP-AEOXGOBCSA-N 375.852 5.063 30 40 GKEB N#Cc1c(NC(=O)/C=C/c2c(Cl)cccc2Cl)sc2c1CCCC2 1913744 XEPTXCIRLAKOKJ-CMDGGOBGSA-N 377.296 5.457 30 40 GKEB C=CCSC1=N[C@]2(C[C@H](c3ccccc3)Oc3cc(O)ccc32)CC(C)(C)N1 4535704 PEDQZAYYCYICDC-NFBKMPQASA-N 394.540 5.158 30 40 GKEB CCc1ccc2nc(SCC(=O)Nc3ccccc3Cl)c(C#N)cc2c1 4848938 UZLZRZLHVJQJMS-UHFFFAOYSA-N 381.888 5.053 30 40 GKEB CN(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccco2)cc1 4973591 UMIYXWUXIGYUBO-GKVSMKOHSA-N 399.494 5.325 30 40 GKEB COc1ccc(COc2ccc3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1 11865106 YAXPNQZYQRLOCL-UUYOSTAYSA-N 376.383 5.030 30 40 GKEB O=C(Nc1ccc(Cl)cc1)Nc1ccccc1NCC#CC#Cc1ccccc1 16451146 TVCOAJPKYGFTEW-UHFFFAOYSA-N 399.881 5.451 30 40 GKEB COc1ccccc1[C@@H]1Nc2nc3ccccc3n2C(C)=C1C(=O)c1ccccc1 16606916 MMVIPDNRVYQFCO-QHCPKHFHSA-N 395.462 5.326 30 40 GKEB CCCCOC(=O)c1ccc(N/C=C/C(=O)c2ccc(OCCCC)cc2)cc1 51318537 KUGLXCLBWAWBES-FOCLMDBBSA-N 395.499 5.631 30 40 GKEB CC/C(C)=N\Nc1nc2cc(NC(=O)c3cc4ccccc4o3)ccc2s1 72229662 OBUIAKMRJZATSG-FMCGGJTJSA-N 378.457 5.493 30 40 GKEB N#Cc1cn(C(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)c2ccccc12 226361793 XNUNTUJJCSLQJU-UHFFFAOYSA-N 381.218 5.768 30 40 GKEB CCc1ccccc1/N=C1\S/C(=C/c2cccc(Cl)c2Cl)C(=O)N1C 408909281 GXNZCZYSHBSXJM-NZQUJZJYSA-N 391.323 5.790 30 40 GKEB O=C(/C=C/Nc1ccccc1Oc1ccccc1)c1ccc(-c2ccccc2)cc1 409061310 ZDOAVLNDAKTWDU-FMQUCBEESA-N 391.470 6.954 30 40 GKEB CCOC(=O)c1cccc(/N=C\c2ccc(Sc3ccc(Cl)cc3)cc2)c1 409100605 QPDYZYUTCOCMRY-IWIPYMOSSA-N 395.911 6.419 30 40 GKEB COc1ccccc1/N=C/c1c(O)c(C(C)(C)C)cc2oc3c(c12)CCCC3 1253325 LAWBESHEVWTZSB-AFUMVMLFSA-N 377.484 6.074 30 40 GKEB COc1ccc(/C=N/c2ccc3oc(-c4ccccc4C)nc3c2)cc1Cl 1445269 MSYDIZWLNBEZAQ-ZMOGYAJESA-N 376.843 6.216 30 40 GKEB C=CCc1c(C)nc2sc(C(=O)Nc3cccc4ccccc34)c(N)c2c1C 2205189 XZPYOKJNMLRVDW-UHFFFAOYSA-N 387.508 5.629 30 40 GKEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccco2)cc1 4074979 TTXPQQKLSIZVJF-VOIUYBSRSA-N 386.451 5.268 30 40 GKEB CC(C)(C)C(=O)Oc1ccc(C(=O)/C=C\c2ccc(Cl)cc2Cl)cc1 5187089 GYZXFOVWVUPRIU-XFFZJAGNSA-N 377.267 5.841 30 40 GKEB Cc1ccc(/C=C2\S/C(=N\c3ccc(Cl)cc3C(F)(F)F)NC2=O)cc1 5376310 AHYWOPJPPXKPHX-NVNXTCNLSA-N 396.821 5.559 30 40 GKEB C=CCn1c(SCc2cccc(C)c2)nnc1-c1ccc(C(C)(C)C)cc1 5478619 AGPWPYPYVIQWRS-UHFFFAOYSA-N 377.557 6.029 30 40 GKEB COc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O 12662669 OIHAPHALMDRGNT-JEUHMODBSA-N 398.414 5.087 30 40 GKEB biogenic Cc1ccc(C)c(OCc2ccc(-c3nc(C#N)c(N4CCC[C@@H](C)C4)o3)o2)c1 33027155 BHIDLTOTRWFAJX-MRXNPFEDSA-N 391.471 5.238 30 40 GKEB CN(c1ccc(C(F)(F)F)cc1/N=C/c1ccccc1O)C1CCCCC1 100258538 YJLNXANFQMFBQT-AFUMVMLFSA-N 376.422 5.931 30 40 GKEB CCOc1ccc(/N=C2\S[C@H](CC)C(=O)N2c2ccc(OCC)cc2)cc1 101025084 DPBABSUZZDFROO-LURZSEBBSA-N 384.501 5.030 30 40 GKEB C=CCOc1ccc(NC(=S)NC2(CCc3ccccc3)CCCC2)cc1 225868359 IQGYOCVCNKJEMT-UHFFFAOYSA-N 380.557 5.483 30 40 GKEB CC(C)(C)c1ccc(/N=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1 409229168 KRDKZIKZJBXVFS-OGLMXYFKSA-N 384.498 6.877 30 40 GKEB C[C@H]1CCc2sc(NC(=O)C(c3ccccc3)c3ccccc3)c(C#N)c2C1 998703 ZMYPCBBRDLGZIG-INIZCTEOSA-N 386.520 5.515 30 40 GKEB O=C1/C(=C/c2cccc(F)c2)S/C(=N/c2ccccc2)N1C1CCCCC1 2155026 WTIWVDGXRANPFB-PRMAFZJDSA-N 380.488 5.762 30 40 GKEB CCn1c2ccccc2c2cc(/C=N/n3c4ccccc4c4ccccc43)ccc21 2184344 GARFLCLNQNHQEX-MTDXEUNCSA-N 387.486 6.805 30 40 GKEB Cc1onc(-c2ccccc2)c1C(=O)Nc1sc2c(c1C#N)CCCCC2 2486381 UGVWQEBQCKOXPR-UHFFFAOYSA-N 377.469 5.104 30 40 GKEB O=C(CC#CCSc1nnc(-c2cccc3ccccc23)o1)c1ccccc1 4776393 BJQHNMQXKXOBGO-UHFFFAOYSA-N 384.460 5.258 30 40 GKEB COc1ccc(/C=N/c2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)s2)cc1 5320695 IGRYDBMATCXPRU-AUEPDCJTSA-N 396.821 6.242 30 40 GKEB COc1cc(C#N)ccc1Oc1ncnc2scc(-c3ccc(F)cc3)c12 8063484 AYCPJDAGDUAILM-UHFFFAOYSA-N 377.400 5.170 30 40 GKEB Cc1ccc(C)c(/N=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)c1 8367978 ZEIDWEHFVLKSFY-DHRITJCHSA-N 384.306 6.940 30 40 GKEB CC(C)Oc1ccc(Br)cc1/C=N/NCc1ccccc1Cl 8811815 QVMDELMDPYBRBI-SRZZPIQSSA-N 381.701 5.013 30 40 GKEB O=[N+]([O-])c1ccc(N/N=C/C2=C(/C=C\c3ccccc3)CCCC2)c([N+](=O)[O-])c1 13407651 LPUAUBBPEGJXFR-WFUMQVDCSA-N 392.415 5.485 30 40 GKEB CCOc1ccc(/C(CCCC/C(=N\O)c2ccc(OCC)cc2)=N/O)cc1 13550784 JXCQTUNFQOMDCS-MBALSZOMSA-N 384.476 5.101 30 40 GKEB O=C1/C(=N/c2ccc(Cl)cc2)c2ccccc2N1Cc1ccc(Cl)cc1 100400147 RYYQQVJNXYGWHF-HIXSDJFHSA-N 381.262 5.661 30 40 GKEB CCCCCCCCCn1c(/C=C/c2ccc(OC)cc2)nc2ccccc21 100848793 NVCMPIMJHUMUSW-KNTRCKAVSA-N 376.544 6.966 30 40 GKEB COc1ccc2ccccc2c1/C=C1/S/C(=N\c2ccc(C)cc2)N(C)C1=O 408912260 PPWZAIHBNFNAMV-NFEGURHZSA-N 388.492 5.391 30 40 GKEB Cc1ccc(/N=C2\S/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)N2CC(C)C)cc1 408915882 RKDYCFGTFJSCJE-FOLIBTTPSA-N 395.484 5.163 30 40 GKEB C1=C[C@@H]2c3ccccc3N[C@H](c3ccc(/N=C/c4ccc5c(c4)OCO5)cc3)[C@H]2C1 408938408 QJNJCZMFDYLSAR-FVVMYFHGSA-N 394.474 5.992 30 40 GKEB CCN(CC)c1ccc(/C=N\c2nc3c(s2)Cc2cc(OC)ccc2-3)cc1 409043721 ADBGVFOJCXAKOM-UCQKPKSFSA-N 377.513 5.320 30 40 GKEB FC(F)(F)c1ccccc1/C=N/c1cc(-c2ccccc2)nn1-c1ccccc1 409051340 KZDHXWAEOXXRHU-JVWAILMASA-N 391.396 6.309 30 40 GKEB O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1ccc(O)cc1)Nc1ccccc1N2 815775 RDSXILGVSCBBIY-CMJOXMDJSA-N 388.492 5.433 30 40 GKEB CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(=O)C[C@H]2c1ccc(Cl)cc1 1079463 HIORRLLYXMNRQY-SFHVURJKSA-N 379.887 5.504 30 40 GKEB Cc1c(Oc2cccc(C#N)c2C#N)cccc1Oc1cccc(C#N)c1C#N 1262347 ITTMJFIGIPCVSB-UHFFFAOYSA-N 376.375 5.066 30 40 GKEB COc1ccc(/N=C/c2cc(Br)cc(Cl)c2O)cc1Cl 1435309 SSJNCCWAGULOAF-CNHKJKLMSA-N 375.049 5.221 30 40 GKEB CSC1=N/C(=N\c2cccc(C)c2)C2(CCCC2)N1c1ccccc1Cl 2187654 MOSBRXAKZPKVPW-NMWGTECJSA-N 383.948 6.230 30 40 GKEB CC(C)CCOc1ccc(C(=O)Nc2sc3c(c2C#N)C[C@H](C)CC3)cc1 2271712 PXLLGOITKWYOIR-OAHLLOKOSA-N 382.529 5.422 30 40 GKEB CSc1nc(Nc2ccc(C)c(Cl)c2)c(C#N)c(-c2ccc(C)cc2)n1 5010974 YZORHLYQUXHZDZ-UHFFFAOYSA-N 380.904 5.751 30 40 GKEB C=CC/N=c1\scc(-c2ccc([N+](=O)[O-])cc2)n1N=C1CCC(CCC)CC1 6309727 DZEQRSWJKCSBAQ-UJRGUCKDSA-N 398.532 5.406 30 40 GKEB C=CCn1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccoc1C 6911898 YUQZCABTFFSKAQ-UHFFFAOYSA-N 380.300 5.632 30 40 GKEB CSC1=N/C(=N\c2cccc(C)c2)C2(CCCCC2)N1c1cccc(C)c1 12462709 YKEMLGJYBKTIDZ-FLFQWRMESA-N 377.557 6.276 30 40 GKEB O=C(/C=C\Nc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)cc1Cl 16427876 MCEFJNQNMBHODG-FPLPWBNLSA-N 376.161 5.701 30 40 GKEB CCCCCCCC/C=C/CCCCCCCC(=O)c1nc2ncccc2o1 38140931 YMLAXVVBJJHSKD-MDZDMXLPSA-N 384.564 7.443 30 40 GKEB FC(F)(F)C(F)(F)c1ccc(Br)nc1C(F)(F)C(F)(F)F 97949900 PFXOMNKXZUBDOW-UHFFFAOYSA-N 394.006 5.152 30 40 GKEB CCCCCCCOc1cccc(NC[C@H](C)Oc2ccc(C(C)(C)C)cc2)c1 100039129 YYIFHWLSOGXYDL-NRFANRHFSA-N 397.603 7.213 30 40 GKEB CC[C@H](C)Oc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)c(C#N)c1 225679173 TWNDIWNQRGUSDF-SFHVURJKSA-N 376.500 5.495 30 40 GKEB C=CCOc1ccc(NC(=O)C(C)(C)Cc2ccccc2)cc1C(F)(F)F 225956857 HVRYVZTYNSUICO-UHFFFAOYSA-N 377.406 5.478 30 40 GKEB C=CCSc1ccccc1C(=O)N[C@@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 260592304 SSGQRRSVAKQLHJ-OALUTQOASA-N 394.584 5.692 30 40 GKEB Cc1cc(/C=N\c2ccc(Cl)cc2Cl)c(C)n1NC(=O)c1ccccc1 409199816 DZTPSKCKQMDYSU-FMCGGJTJSA-N 386.282 5.546 30 40 GKEB CC[C@@H](C)Oc1ccc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)cc1 409234428 ZYIBDLRBAPHAAB-KABPQNHLSA-N 398.503 5.627 30 40 GKEB CC(C)(C)Oc1ccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1 409402390 HPSYHZFZTPPTGZ-UHFFFAOYSA-N 397.478 5.123 30 40 GKEB CCCc1ccc(CN2CCC[C@@H]2c2csc(Nc3cc(C#N)ccn3)n2)o1 585295274 SJRCHNKCNFTRJB-LJQANCHMSA-N 393.516 5.036 30 40 GKEB O=[N+]([O-])c1ccccc1OCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F 1565673172 HEBZMOBLUJZNPG-UHFFFAOYSA-N 385.182 5.037 30 40 GKEB Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc(OCC(F)(F)C(F)F)cc1 1437722 DNOKRUXSXRKXRN-HCGXMYGOSA-N 396.167 5.729 30 40 GKEB Cc1sc2ncnc(N/N=C/C(Br)=C/c3ccccc3)c2c1C 3200536 DNWJUVWQTMBDMS-PQGNNHTHSA-N 387.306 5.142 30 40 GKEB Fc1ccccc1-c1nc(N/N=C/c2ccc(Cl)cc2)c2ccccc2n1 5025047 XRHDEWPVKHBOIB-ZMOGYAJESA-N 376.822 5.535 30 40 GKEB CC(C)=CCOc1ccc2c(c1)O/C(=C\c1ccccc1Br)C2=O 5219550 DZGUCGVRPHBUSU-ODLFYWEKSA-N 385.257 5.410 30 40 GKEB Clc1ccc(COc2cccc(/C=N/Nc3nc4ccccc4s3)c2)cc1 5605077 UNJNQEWJLZSESS-YDZHTSKRSA-N 393.899 5.975 30 40 GKEB CCOc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1Br 6963913 WCZIPIRLJHDFFU-HZHRSRAPSA-N 396.284 6.391 30 40 GKEB CCCCCCCCCCOc1ccc(/C=N/Cc2ccccc2)cc1OC 8386853 DOJUGUAQHFQXKY-YYADALCUSA-N 381.560 6.834 30 40 GKEB COC(=O)Nc1sc(N/N=C/c2cccc(Cl)c2)nc1-c1cccs1 8868767 GWIGENUROMKEEK-GIJQJNRQSA-N 392.893 5.149 30 40 GKEB COc1ccccc1CN/N=C/c1cc(C)n(-c2cccc3ccccc23)c1C 20762457 QTDBOQLGNDJRQW-WPWMEQJKSA-N 383.495 5.380 30 40 GKEB C/C=C/Oc1ccc(C(=O)/C(=C/c2ccncc2)c2nc3ccccc3o2)cc1 32617753 NTAVTQYFCKOBOJ-FLXKXKQDSA-N 382.419 5.559 30 40 GKEB Fc1ccc(/N=C/c2cccn2-c2ccc(Br)cc2)cc1Cl 59302576 HUHHLPURXOVFIL-SRZZPIQSSA-N 377.644 5.783 30 40 GKEB CN(C(=O)CCN1c2ccccc2Sc2ccccc21)c1cccc(C#N)c1 65552578 IDKVOCNJZKHZIS-UHFFFAOYSA-N 385.492 5.214 30 40 GKEB CCC[C@@H]1/C(=N\O)[C@H](C)[C@@H](c2ccc(Cl)cc2)N[C@H]1c1ccc(Cl)cc1 100163555 WETLHCJOVDJFEY-POJVIIDRSA-N 391.342 6.262 30 40 GKEB CCC(C)(C)[C@H]1CCC(=O)/C(=C/Nc2ccc(Oc3ccc(OC)cc3)cc2)C1 408563327 LEUCXNHOWPVACA-QZZNQRLBSA-N 393.527 6.589 30 40 GKEB CCN1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)S/C1=N\c1cc(C)ccc1C 408906734 DLBROLQFLKCFAX-DBSKITMISA-N 392.568 6.225 30 40 GKEB Cc1ccc(Cl)cc1/N=C/c1cc(C)n(-c2ccc(C(=O)O)cc2C)c1C 408908430 CKSIZQZXPJDPDT-WYMPLXKRSA-N 380.875 5.813 30 40 GKEB CCOc1cc(/C=N/Nc2nc(C)cs2)ccc1OCc1ccc(F)cc1 409058070 SFYFBHWDONOAJV-SSDVNMTOSA-N 385.464 5.014 30 40 GKEB O=C(O)c1ccc(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)cc1 409079436 FWCHIRLNIWZFMV-AFUMVMLFSA-N 375.468 5.309 30 40 GKEB Cc1cc(/C=N\c2ccccc2Br)c(C)n1NC(=O)c1ccccc1 409199997 GJFNZRQDCIZLDU-XKZIYDEJSA-N 396.288 5.002 30 40 GKEB Cc1ccc(/N=C/c2ccc(OCc3ccccc3)c(Br)c2)cc1C 409209071 FHLRFGLJFFYZNB-ZVHZXABRSA-N 394.312 6.396 30 40 GKEB CN(C)C(=O)SC1=C(c2c(Cl)cccc2Cl)C(=O)c2ccccc21 1575813 SQEJLJCVAKTETI-UHFFFAOYSA-N 378.280 5.473 30 40 GKEB Cc1ccc2nc(-c3ccc(C)c(/N=C/C=C/c4cccc([N+](=O)[O-])c4)c3)oc2c1 3068521 UYKROJXDFUXFTG-MLZQUUFASA-N 397.434 6.436 30 40 GKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3ccc(Cl)cc3)cc1)N2 4181633 VPIGVRSDCDFOAW-SEUCCCPNSA-N 398.937 7.226 30 40 GKEB CCCCC(Nc1ccc(Br)cc1)=C1C(=O)CC(C)(C)CC1=O 6016303 LHBDOSQZQCOKJD-UHFFFAOYSA-N 378.310 5.264 30 40 GKEB O=[N+]([O-])c1cc(Cl)cc(/C=N/c2cccc(-c3nc4ccccc4[nH]3)c2)c1O 6161407 RHMYCNGMYDZDMP-SSDVNMTOSA-N 392.802 5.248 30 40 GKEB N#CCOc1ccc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1 7097226 OEYUZRAQORMCMQ-ZEVJAHDQSA-N 378.475 6.082 30 40 GKEB C/C(=N/N1CCN(Cc2ccccc2Cl)CC1)c1ccc2ccccc2c1 34876613 VCUKDRZZVYKYKN-BWAHOGKJSA-N 377.919 5.035 30 40 GKEB COc1ccc(Cl)cc1/N=C/c1cc(Br)c(N2CCCC2)o1 59303331 RTSXJPGGWKISBK-VXLYETTFSA-N 383.673 5.055 30 40 GKEB CCCCCCCCCCCC(=O)Nc1sc(C(=O)OC)c(C)c1C#N 97942931 FKQBMGGMLWQIKI-UHFFFAOYSA-N 378.538 5.574 30 40 GKEB CCCC(C)(C)[C@H]1C[C@@H](C)CC/C1=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 101673116 VYVCOPUKBOFTDG-XPNVSNFHSA-N 376.457 5.533 30 40 GKEB CCCCCCCCCCCCCCCC[C@@H](O)c1ccc2ccccc2c1 104096470 MWDWWTGEGYWXPF-HHHXNRCGSA-N 382.632 8.745 30 40 GKEB Cc1cc(/C=C/C(=O)c2ccccc2)c(C)n1-c1ccc(Br)cc1 408619817 HUATVJIXYQCGSN-MDWZMJQESA-N 380.285 5.753 30 40 GKEB C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccccc2O)S/C1=N\c1ccccc1 408866549 HECLBORAOHEZMI-KBWUMJTRSA-N 392.524 5.575 30 40 GKEB Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccccc1Cl 408931753 PTHSGOJSBNCEOB-PCLIKHOPSA-N 393.918 5.335 30 40 GKEB O=[N+]([O-])c1cc(/C=N/c2ccc(Oc3ccccc3Cl)cc2)ccc1Cl 409097717 NJTRVPSUBRBBOQ-WSDLNYQXSA-N 387.222 6.445 30 40 GKEB C=C1CC[C@@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]1CC[C@H]2[C@@H](C)/C=C/[C@@H](C)C(C)C 669679131 MECHNRXZTMCUDQ-CQKKNDKLSA-N 396.659 7.641 30 40 GKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(OC)cc3)c2C#N)C1 671847 XZHOBWJEHFZRTJ-OAHLLOKOSA-N 382.529 5.422 30 40 GKEB Cn1/c(=N\N=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)sc2ccccc21 2275109 SCTIVTUCVJMYLR-ASFQDVQESA-N 395.572 5.475 30 40 GKEB FC(F)Oc1ccccc1/C=N/Nc1nc(-c2ccc(Cl)cc2)cs1 4477236 JOVLCCUSTCNNJY-ZVBGSRNCSA-N 379.819 5.511 30 40 GKEB Clc1ccc(/N=C/c2cn(Cc3ccccc3)c3ccccc23)c(Cl)c1 4677680 XFSSICLEMNRHKC-DHRITJCHSA-N 379.290 6.747 30 40 GKEB N#Cc1ccc(CSc2nnc(COc3ccccc3Cl)n2C2CC2)cc1 4791114 PBHXQBURNLPVMI-UHFFFAOYSA-N 396.903 5.009 30 40 GKEB CCCCCCCCOc1ccc(-c2ccc(C(=O)O[C@@H](C)CCC)cc2)cc1 8383599 ZEIHIVGTDQDRRP-NRFANRHFSA-N 396.571 7.438 30 40 GKEB Clc1ccccc1CN/N=C/c1cn(-c2ccccc2)nc1-c1cccs1 8811622 LVZQGDWOLQRZDU-ZVHZXABRSA-N 392.915 5.378 30 40 GKEB Cc1c(OCc2ccccc2)ccc2c1O/C(=C\c1cn(C)c3ccccc13)C2=O 28182533 WIGDDBHDTGMHSO-OYKKKHCWSA-N 395.458 5.682 30 40 GKEB Cc1ccc2nc(N/N=C/c3ccc(N(C)C)cc3)nc(-c3ccccc3)c2c1 46085412 YKRGZCJJUBUDML-PCLIKHOPSA-N 381.483 5.117 30 40 GKEB CCCCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1ccc(F)cc1 102597617 XKPCQJTUBWZDMF-MRJHHRETSA-N 395.474 5.136 30 40 GKEB CCCCCCCCCCCCCCCCCCOC(=O)[C@H](N)CCCCN 104268349 QTPSKWKTARMYJI-HSZRJFAPSA-N 398.676 6.247 30 40 GKEB C=CCOc1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc1 225679768 WVLMVCUKUHIPIR-LJQANCHMSA-N 382.529 5.149 30 40 GKEB C=CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)c2ccccc12 225941078 RIWCGVOHIZJILP-UHFFFAOYSA-N 377.871 5.728 30 40 GKEB Cc1cc(/C=N/c2ccc(F)cc2F)c(C)n1-c1ccc(Br)cc1 408772542 MTTYWGHMSBJMPA-FOKLQQMPSA-N 389.243 5.885 30 40 GKEB Cc1cc(/C=N/c2ccc3c(c2)OCO3)c(C)n1-c1ccc(Cl)cc1Cl 408914546 QNYWMEHVFZTVRR-AUEPDCJTSA-N 387.266 5.880 30 40 GKEB N#Cc1ccc(COC(=O)c2ccccc2OCc2ccc(Cl)cc2)cc1 3268390 NPXKPMUXBOWXAK-UHFFFAOYSA-N 377.827 5.148 30 40 GKEB O=C(C1=C2Sc3ccccc3N2C[C@H](C(=O)c2ccccc2)C1)c1ccccc1 3648536 QGFTUSWBZIAHQN-LJQANCHMSA-N 397.499 5.596 30 40 GKEB Cc1ccccc1N/N=C(\C#N)c1nc(-c2cccc(Br)c2)cs1 4175314 SKQCKLMCBHZZNK-XQNSMLJCSA-N 397.301 5.221 30 40 GKEB N#Cc1ccc(-c2cccs2)nc1SCC(=O)Nc1ccc(Cl)cc1 4550890 UPDZBMDKGKTLSP-UHFFFAOYSA-N 385.901 5.066 30 40 GKEB Clc1ccc(Cl)c(/C=N\Nc2nc(-c3ccccc3)cs2)c1Cl 4567555 OBTHVHTWXGJYFS-ZBKNUEDVSA-N 382.703 6.216 30 40 GKEB CN(C)c1ccc(/C=N/Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1 5002600 HIVQYLJRUIWAFN-NLRVBDNBSA-N 393.494 5.323 30 40 GKEB CC(C)(C)c1ccc(OCCn2cc(C#N)c3cc(Br)ccc32)cc1 5944458 CKXPJEZMXYSOJZ-UHFFFAOYSA-N 397.316 5.652 30 40 GKEB N#CCCn1c(SCc2cc3ccccc3nc2Cl)nc2ccccc21 6653672 YQLGTSWXHSHADO-UHFFFAOYSA-N 378.888 5.444 30 40 GKEB O/N=C(\c1ccc(Br)cc1)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl 8656016 UXPGXJRXNXZJNI-ZNLOWLRUSA-N 385.088 5.738 30 40 GKEB CN(C)CCCN(Cc1ccccc1)/C(S)=N/c1cccc(C(F)(F)F)c1 8774875 RGERENBIMAVPHU-UHFFFAOYSA-N 395.494 5.077 30 40 GKEB CCOc1cc(C#N)cc(Br)c1OCc1cccc2ccccc12 11961345 MXAJUXUZIJVNSS-UHFFFAOYSA-N 382.257 5.452 30 40 GKEB C/C(C(=O)c1ccc(F)cc1)=C(\CC(=O)c1ccc(F)cc1)c1ccccc1 16136437 CSUIPIKPSABKFG-JWGURIENSA-N 376.402 5.894 30 40 GKEB N#Cc1c(NC(=O)c2ccc(Cl)cc2)oc(-c2ccccc2)c1-c1ccccc1 39866973 RYIGETSTBZTVOU-UHFFFAOYSA-N 398.849 6.391 30 40 GKEB CC1=C(C#Cc2ccccc2)c2ccccc2O[C@@]1(c1ccccc1)N1CCCC1 49611648 VIJJZKFPOVHQCM-NDEPHWFRSA-N 391.514 5.853 30 40 GKEB CCCCCCCCOc1cnc(-c2ccc(CCCCCCC)cc2)nc1 100092042 ROUZDYXXSLYRSA-UHFFFAOYSA-N 382.592 7.396 30 40 GKEB CC1(C)COc2ccc(C(=O)/C=C/c3ccc(Br)cc3)cc2OC1 225371883 RDRBJWVQCHWFFY-WEVVVXLNSA-N 387.273 5.143 30 40 GKEB N#Cc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccc(Cl)c(Cl)c1)[C@H]1CC=C[C@@H]21 408767444 XSCJOBVZHZQIII-GLJUWKHASA-N 386.238 5.600 30 40 GKEB CC[C@@H](C)n1cc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)c2ccccc21 408962720 JRIZZJAENPSAHA-MQMKENTISA-N 393.487 5.643 30 40 GKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N\c3cccc(OCC)c3)c2C)c1 408965013 FIXNRCQNTQURSB-XYGWBWBKSA-N 390.483 5.420 30 40 GKEB CC(C)(C)c1ccc(C(=O)O/N=C(/Cc2ccccc2)c2cccs2)cc1 409055566 ZPCIRZFHQLUDOQ-GFMRDNFCSA-N 377.509 5.849 30 40 GKEB CC(C)(C)c1ccc(Cn2c(-c3ccc(Cl)cc3)ccc(C#N)c2=O)cc1 3125706 BAEYOAKOFZSQBE-UHFFFAOYSA-N 376.887 5.386 30 40 GKEB Clc1cc2c(cc1/C=N/c1ccc(-c3nc4ccccc4o3)cc1)OCO2 3212371 NUXUOSZFEVDUGC-FOKLQQMPSA-N 376.799 5.628 30 40 GKEB O=C(/C(Br)=C/c1ccccc1)/C(Br)=C\c1ccccc1 5004966 SJEVIRRLNSMNAS-UKVBVZPVSA-N 392.090 5.428 30 40 GKEB Cc1nn(-c2ccccc2)c(/N=C/c2cn(C)c3ccccc23)c1-c1ccccc1 5530080 PENSUWIFMYVKOE-WPWMEQJKSA-N 390.490 6.090 30 40 GKEB N#Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)cs2)cc1Cl 5971752 UAVJFXJGZZFRRM-UHFFFAOYSA-N 385.901 5.066 30 40 GKEB Cc1ccc(Cn2cc(/C=N/NCc3ccc(Cl)cc3)c3ccccc32)cc1 10118877 WZTUOVMKMJBUSS-JFLMPSFJSA-N 387.914 5.775 30 40 GKEB CCC(=O)Oc1ccc(Br)cc1/C=C1\Sc2ccccc2C1=O 12561936 CADDMZOKBBAWIN-YBEGLDIGSA-N 389.270 5.094 30 40 GKEB C=CCN(C(=O)c1ccco1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 12803699 ALSAWTFGSXHQIL-UHFFFAOYSA-N 379.268 5.543 30 40 GKEB C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1cccc(C(F)(F)F)c1 16711498 WZKMDIJOJGQMPR-MOHJPFBDSA-N 394.849 6.307 30 40 GKEB C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\C=C\c1ccccc1 36624061 CNATZRJRPIOVRF-FGGIOYMPSA-N 398.550 6.389 30 40 GKEB Cc1ccc2nc(N/N=C/c3cccc4ncccc34)nc(-c3ccccc3)c2c1 46085304 YYJCNPLBPFMTDG-JVWAILMASA-N 389.462 5.599 30 40 GKEB Oc1c(Cl)cc(Cl)cc1/C=N\c1nc(-c2ccc(Cl)cc2)cs1 102546995 HVLNNMDDKZEBPZ-SCDVKCJHSA-N 383.687 6.227 30 40 GKEB O/C(=N\C12CC3CC(CC(C3)C1)C2)C12C[C@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 103736659 KBDOHEHFVZMXIF-QRMRYXNLSA-N 389.583 6.450 30 40 GKEB CCCCCCCCCc1ccc(O[C@H](C)OCCOCCOCC)cc1 104158461 GBANMXYSFHVOTH-OAQYLSRUSA-N 380.569 5.774 30 40 GKEB CC(C)(CCCCC(C)(C)/C(=N\O)c1ccccc1)/C(=N/O)c1ccccc1 104327625 BDONFPPVLKFAKB-KOUJMYIZSA-N 380.532 6.356 30 40 GKEB Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 109021898 HGTLEWYPYWLQSE-ACRUOGEOSA-N 376.475 5.365 30 40 GKEB Cc1cc2c(cc1/C=N/Nc1ccc([N+](=O)[O-])cc1)[C@H](C)CC(C)(C)N2C(C)C 223587741 FRDRGMFKRQQZLD-PTZPRWATSA-N 394.519 5.850 30 40 GKEB Cc1cc(/C=N/OCc2ccccc2C#N)c(C)n1-c1cccc(Cl)c1Cl 408589300 DQBYFOJZPXOWGT-BRJLIKDPSA-N 398.293 5.823 30 40 GKEB CCCOc1ccc(/C=C2/S/C(=N\c3c(C)cccc3C)N(CC)C2=O)cc1 408907609 NZXUDPHRZQMSSY-MIIQOVFOSA-N 394.540 5.716 30 40 GKEB CC[C@H](C)N1C(=O)/C(=C\c2ccc(C(=O)O)cc2)S/C1=N\c1ccc(C)cc1 408916073 ULCNMHJGGIMOKU-XQJJTOTJSA-N 394.496 5.096 30 40 GKEB Cc1ccc(COc2ccc3ccccc3c2/C=N/c2cc(C)ccc2C)cc1 409199851 DRMCFHRZWJRQPQ-OGLMXYFKSA-N 379.503 7.095 30 40 GKEB Oc1ccc(Br)cc1/C=N/N(Cc1ccccc1)c1ccccc1 4920954 BMWQGCNBGKNKLD-HYARGMPZSA-N 381.273 5.195 30 40 GKEB COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/Nc2ccc(C)cc2C)cc1 4923729 KMIYCSUKGDKAHC-WGOQTCKBSA-N 396.494 5.611 30 40 GKEB O=C(Nc1ccc(Cl)cc1)O/N=C(\C(=O)c1ccccc1)c1ccccc1 5946157 NTVGFCCMWDMEIK-CLCOLTQESA-N 378.815 5.176 30 40 GKEB C[C@@H]1CCc2c(sc(NC(=O)C(c3ccccc3)c3ccccc3)c2C#N)C1 6175686 OAVBOSZXKMUFMO-MRXNPFEDSA-N 386.520 5.515 30 40 GKEB Oc1c(Cl)cc(Br)cc1/C=N/c1ccccc1N1CCCCC1 6615552 YBJGJPKITOCBEV-CIAFOILYSA-N 393.712 5.549 30 40 GKEB Cc1ccccc1Cn1cc(/C=N/Nc2nc3ccccc3[nH]2)c2ccccc21 14134283 PXEMYVNIUNJKBV-AFUMVMLFSA-N 379.467 5.320 30 40 GKEB C=C(CC[C@@H](C)[C@H]1CC[C@@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 30729652 ZEPNVCGPJXYABB-DBGTYHINSA-N 396.659 7.475 30 40 GKEB O=C(/C=C/Nc1cccc(OC(F)(F)F)c1)c1ccc(Br)cc1 44843475 RQHMEOBZPSJENA-CMDGGOBGSA-N 386.167 5.156 30 40 GKEB CCCCCCCCCC(=O)O[C@@H](COCc1ccccc1)CN(CC)CC 97949718 NDRGPOICSVSCAZ-HSZRJFAPSA-N 391.596 5.598 30 40 GKEB COc1cccc(/C=N/c2ccc(Br)cc2)c1OCc1ccccc1 100384095 CHMAYCWRUGDCMY-OEAKJJBVSA-N 396.284 5.787 30 40 GKEB CCCCCCCNCc1ccc(OCc2c(F)cccc2Cl)c(OC)c1 102565152 RIGKEOWRVAIWJT-UHFFFAOYSA-N 393.930 6.127 30 40 GKEB N#Cc1ccccc1CO/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 408588033 BAJDAAZRUMKDAD-MZJWZYIUSA-N 399.881 5.765 30 40 GKEB Cc1ccc(C(=O)/C=C/c2cc(C)n(-c3cccc(Br)c3)c2C)cc1 408692767 UTSSEQJTVULLSN-VAWYXSNFSA-N 394.312 6.061 30 40 GKEB Cc1cc(/C=N/c2cccc(Cl)c2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408939074 HXHYFLWANYSNRN-FOKLQQMPSA-N 387.266 5.850 30 40 GKEB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/c1sc2c(c1C#N)CCCC2 409064437 PMJCPGFVZRJRPD-LPYMAVHISA-N 382.489 5.004 30 40 GKEB CCn1cc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc21 409106353 LMQQLINKRPEWJJ-LSHDLFTRSA-N 376.338 5.034 30 40 GKEB Cc1ccccc1/N=C\c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 409212056 LQVIHOLLBBBBGO-BKUYFWCQSA-N 377.356 5.354 30 40 GKEB Cc1ccc2nc(-c3ccc(/N=C/C=C/c4ccc([N+](=O)[O-])cc4)cc3)sc2c1 2756886 HDYSPHBDHVRZAY-KEFKZDGPSA-N 399.475 6.596 30 40 GKEB CCCC[C@@H]1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2ccccc2)C1=O 4889305 QLLCMZWNKQTBTK-DZRHBTRISA-N 393.556 5.328 30 40 GKEB CC/N=c1\scc(-c2ccc(Br)s2)n1/N=C/C1CCCCC1 6378126 IRUXDIJTVGDLMF-RMJKKARSSA-N 398.395 5.375 30 40 GKEB C=CCOc1c(Br)cc(CNC2CCCCCCC2)cc1OC 7525114 BCGBWJKQZIDADC-UHFFFAOYSA-N 382.342 5.225 30 40 GKEB Cc1ccccc1/N=C/c1c(Nc2ccccc2C)nc2c(C)cccn2c1=O 26965111 YKBFAXDOGJVNLU-MFKUBSTISA-N 382.467 5.114 30 40 GKEB CC[C@@H](C)c1ccc(/N=C/c2cc(Br)c(N3CCCC3)o2)cc1 59248263 LKPQYCZYBQDZTC-CNRHGSOZSA-N 375.310 5.906 30 40 GKEB O=[N+]([O-])c1ccc(-n2cccc2/C=N/N(c2ccccc2)c2ccccc2)cc1 59639073 LRGJPELIJXCPLE-HKOYGPOVSA-N 382.423 5.558 30 40 GKEB Cc1noc(C)c1CSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N 61167967 GUCPQWNEPJQUNS-UHFFFAOYSA-N 395.431 5.598 30 40 GKEB CCCCCCCCCOc1ccc(-c2ncc(CCCCCC)cn2)cc1 97998431 WKHRWWOOFQQILG-UHFFFAOYSA-N 382.592 7.396 30 40 GKEB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1cccc(F)c1)C2=O 245228952 JPKPGSNREZFIQX-ZFHLFDPRSA-N 394.530 5.712 30 40 GKEB C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(F)cc2)S/C1=N\c1ccccc1 408847531 NIPGJSLXMAQHAR-FOOFIWMSSA-N 394.515 6.008 30 40 GKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(C)c([N+](=O)[O-])c2)C(=O)N1CC 408916115 UYJWXWHNPIMRTM-NFYBBCHUSA-N 395.484 5.090 30 40 GKEB CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1 408943964 SWEHTJWOVUMFOE-XQVBJUJKSA-N 394.518 6.662 30 40 GKEB CCCN1C(=O)/C(=C/C=C/c2ccccc2)S/C1=N/c1ccc(Cl)cc1 409091736 UCAALIOTAZZDRL-RLCMZODHSA-N 382.916 5.910 30 40 GKEB Cc1ccc(-c2ccc(/C=N\c3ccc4c(c3)OCO4)o2)c(Br)c1 409229853 ANPZIGGCYZOUKF-FBHDLOMBSA-N 384.229 5.497 30 40 GKEB Cc1c(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)c2ccccc2n1C 409370275 NZXOBNNDZMIVIZ-VULFUBBASA-N 395.418 6.222 30 40 GKEB CCCc1ccc(CN2CCC[C@H]2c2csc(Nc3cc(C#N)ccn3)n2)o1 585295273 SJRCHNKCNFTRJB-IBGZPJMESA-N 393.516 5.036 30 40 GKEB CC(C)C[C@@H]1CC(=O)Oc2ccc3c(c21)O/C(=C/c1ccc(C(C)C)cc1)C3=O 1081803592 JFSROBHDDNXKNU-AGKWGAAGSA-N 390.479 5.865 30 40 GKEB O=C1/C(=N\c2cccc(C(F)(F)F)c2)c2ccccc2[C@@H]1Nc1ccccc1 1570009218 HJDPROZDKNIETL-KHDLQRJLSA-N 380.369 5.562 30 40 GKEB C[C@@H]1CCc2c(sc(NC(=O)/C(=C/c3ccccc3)c3ccccc3)c2C#N)C1 1771084 FLASGAYKZUMCHQ-WNSCPLKPSA-N 398.531 5.924 30 40 GKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2C#N)C1 2738588 FVLKQVTYABYGQA-CQSZACIVSA-N 397.500 5.321 30 40 GKEB C[C@]12CCCC[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2/N=C/c1ccccc1O 4083928 KCNVLMLASJSATC-ZQWJAUMWSA-N 379.588 6.613 30 40 GKEB biogenic C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccccc1)C2=O 4758906 XVNNBSPKVRWTLT-INANINDASA-N 378.556 5.653 30 40 GKEB biogenic C/C(=N\Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(Br)cc1 4925632 OXOSCVZPUOJRRL-ZVBGSRNCSA-N 391.618 5.957 30 40 GKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc(Cl)cc1N[C@@H]2c1cccc([N+](=O)[O-])c1 5734461 GPUBYNOKVNWERC-HXUWFJFHSA-N 397.862 5.470 30 40 GKEB Brc1ccc(CO/N=C/c2ccc(OCc3ccccc3)cc2)cc1 12619176 VYXNJWXKFKZHIY-OEAKJJBVSA-N 396.284 5.579 30 40 GKEB O=[N+]([O-])c1ccccc1/C=N/Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1 13303701 YHCKBXFVUHBBFT-LFVJCYFKSA-N 395.422 5.165 30 40 GKEB Cc1ccc(/C=C2\Oc3cc(OCc4c(F)cccc4Cl)ccc3C2=O)o1 13787261 PPXGTGIEXPHMMT-JMIUGGIZSA-N 384.790 5.576 30 40 GKEB CN(C(=O)COc1ccc(-c2ccccc2)cc1Cl)C1(C#N)CCCCC1 14197947 FQZKUTJUVDGNNG-UHFFFAOYSA-N 382.891 5.071 30 40 GKEB COc1cc(/C=C2/Sc3ccccc3C2=O)ccc1OCc1ccc(F)cc1 15230447 BAFAFNFQZANLPV-LPYMAVHISA-N 392.451 5.743 30 40 GKEB Cc1c(C(=O)OCC#N)sc2nc(-c3cccs3)cc(C(F)(F)F)c12 36185820 LGFYYNPJIMCEAW-UHFFFAOYSA-N 382.388 5.032 30 40 GKEB Cc1ccc(-c2nc3ccc(/N=C/c4ccc(Br)cc4)cc3o2)cc1 102417485 HOFZDBKZJNRLAA-YDZHTSKRSA-N 391.268 6.316 30 40 GKEB CSc1ccc(/C=N\Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)cc1 408735557 SJJUNURJPMPHSB-OUBWWKSTSA-N 382.304 5.430 30 40 GKEB CCOc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)ccc1OC(C)C 408899079 SORQUQGXZJNVSH-UHFFFAOYSA-N 396.483 5.001 30 40 GKEB O=C1C(=Cc2ccc(Sc3cccc4cccnc34)o2)C(=O)c2ccccc21 408988017 CHLIUWHCVXJATJ-UHFFFAOYSA-N 383.428 5.442 30 40 GKEB Cc1ccc(-n2nc(C)c(/C=N\Nc3ccc(Br)cc3)c2C)c(C)c1 409001157 UWQAEGZHJBEKRR-UUYOSTAYSA-N 397.320 5.314 30 40 GKEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(Sc3ccc(Cl)cc3)s2)nc1 409018328 KXYKNMYNFXTJNU-VXLYETTFSA-N 390.877 5.302 30 40 GKEB C=CCc1cc(/C=C2\C(=O)ON=C2C)cc(OCC)c1OCc1ccc(C)cc1 409089800 KHLBMTVDBNMVII-BKUYFWCQSA-N 391.467 5.017 30 40 GKEB Cc1cc(/C=N/c2ccccc2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 409385615 MEZKWRGMUVHIPW-YDZHTSKRSA-N 378.497 5.483 30 40 GKEB C=C(C)CSc1nc2c(c(=O)n1CC)C1(CCCCC1)Cc1ccccc1-2 2240110 RKZLIMBJVGPKBA-UHFFFAOYSA-N 380.557 5.356 30 40 GKEB biogenic COc1cc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)ccc1O 2369784 UWHCIHOEPFOIAG-JVWAILMASA-N 394.430 5.950 30 40 GKEB Cc1ccc(CO/N=C2/c3ccccc3-c3nnc(-c4ccc(C)cc4)cc32)cc1 3105266 DXCVVQOXQGWBED-WCTVFOPTSA-N 391.474 5.710 30 40 GKEB C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccccc2)cc1 4897818 OWXHCAALULOPQF-UKILVPOCSA-N 382.463 5.494 30 40 GKEB CCn1cc(/C=C2/Oc3cc(OC(=O)c4ccco4)ccc3C2=O)c2ccccc21 9421878 YOUNYQXDGSMGEE-WSDLNYQXSA-N 399.402 5.090 30 40 GKEB Cc1nnc(Sc2nc(-c3cccs3)c(-c3cccs3)[nH]2)c(C#N)c1C 12525173 XOXVMWOBCPFBIN-UHFFFAOYSA-N 395.538 5.296 30 40 GKEB Cc1cc(O)c(C(C)C)cc1/N=C1/NC(=O)S/C1=C\C=C\c1ccccc1 28294973 RXWDDGUGVBXEMA-VTGAJVDQSA-N 378.497 5.908 30 40 GKEB COc1cc(/C=N\Nc2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1O 31854556 NNTFEPBTWLRMFD-ZBKNUEDVSA-N 394.283 5.277 30 40 GKEB Cc1ccc(/C(=N\C(Cl)=C(Cl)Cl)n2c(N)nc3ccccc32)cc1 41097490 LPZOOVDIZCEBOI-XQNSMLJCSA-N 379.678 5.065 30 40 GKEB CC1(C)C(/C=C2/C(=O)C(/C=C3/Nc4ccccc4C3(C)C)=C2O)=Nc2ccccc21 101870991 VIIQDTCKCNREAM-KITWBGPISA-N 396.490 5.659 30 40 GKEB C=CCOc1ccc(NC(=S)N[C@H](c2ccccc2)c2cccc(C)c2)cc1 225700905 UJSIQVHWSFHJHT-HSZRJFAPSA-N 388.536 5.636 30 40 GKEB CC/N=C1\S/C(=C\c2cc3c(cc2C)N(C)C(C)(C)C[C@H]3C)C(=O)N1CC 260569805 SIYSQIADIVPFOG-GJEXUNRASA-N 385.577 5.029 30 40 GKEB CC/N=C1\S/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N1CC 408851932 BTDSJTRKJTXDFZ-WPKWFYOXSA-N 395.311 5.566 30 40 GKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(C(C)(C)C)cc3)S2)cc1 408954019 RMTOFKWREOUAEB-XMHGGMMESA-N 380.513 5.274 30 40 GKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc(C(C)C)cc3)c2C)c1 408967542 QTXBFZQLGVPTLH-WGOQTCKBSA-N 388.511 6.145 30 40 GKEB O=C1ON=C(c2ccccc2)/C1=C/c1cc(Cl)ccc1OCc1ccccc1 409077472 FMHGONHHBWRHDG-ZHZULCJRSA-N 389.838 5.264 30 40 GKEB O=C(/C=C/Sc1ccc(Br)cc1)c1ccc(Br)cc1 2557660 CYMVVZKDEMOLTP-MDZDMXLPSA-N 398.119 5.700 30 40 GKEB CC(C)c1nc(N/N=C/c2c3ccccc3cc3ccccc23)cc(N(C)C)n1 5849563 HLSBTZLHKQHZLC-MFKUBSTISA-N 383.499 5.418 30 40 GKEB CCOc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCc1cccc(F)c1 6961447 NWYUWKZRPJRISU-CVKSISIWSA-N 377.459 6.171 30 40 GKEB CCCCCCCCCCCCCCCCn1c2c(c(=N)c3c1CCC3)CCC2 8440072 FDOMJCGNPSFNCV-UHFFFAOYSA-N 398.679 7.426 30 40 GKEB biogenic COc1cccc(/C=N\Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c1O 12374193 JJUHCBWZOFHMGU-ZBKNUEDVSA-N 394.283 5.277 30 40 GKEB Cc1ccc(/C=N/Nc2nc(-c3ccccc3)c(NC(=O)C(C)C)s2)cc1 16753141 AAPGLVHLTYUHMD-LPYMAVHISA-N 378.501 5.159 30 40 GKEB CC1CCN(C/C(O)=N/c2ncc(Cc3ccc(Cl)c(Cl)c3)s2)CC1 51364645 YBPVIMJSMMKZMW-UHFFFAOYSA-N 398.359 5.361 30 40 GKEB O=C1/C(=C/c2c[nH]c3ccccc23)S/C(=N\c2ccccc2)N1c1ccccc1 59503514 GMJFHAKLPJXKCR-SHSCQTOKSA-N 395.487 5.977 30 40 GKEB CCCCCCCCCc1nc(=S)c2c3c(sc2[nH]1)COC(C)(C)C3 97951153 WLCHQBWSOGTEGD-UHFFFAOYSA-N 378.607 6.498 30 40 GKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(C(C)C)cc3)c2C)cc1 100212133 FYYMCFCPIOTMAF-WGOQTCKBSA-N 388.511 6.145 30 40 GKEB COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3[C@@H]3O[C@@H]3[C@@]21C 119169875 FXRYPRSTXONWAP-SFJHFLQSSA-N 388.592 5.612 30 40 GKEB Cn1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c2ccccc21 409077460 FGIPQRFPSNWJKM-IXBOPPFXSA-N 375.541 6.013 30 40 GKEB CCOc1ccc(Cl)cc1/C=N\c1ccc(I)c(C)c1 409107875 XKZXWEPUEQFKJY-GRSHGNNSSA-N 399.659 5.402 30 40 GKEB Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/c3cccc(C)c3C)cc2)cc1 409201019 LIFQEDUSWOSHFO-HZHRSRAPSA-N 379.481 5.130 30 40 GKEB Cc1cccc(/N=C/c2ccc(OCc3ccccc3)c(Br)c2)c1C 409214093 RACMRJXYRGEOSD-ZVHZXABRSA-N 394.312 6.396 30 40 GKEB Cc1ccc(COc2ccccc2/C=N/c2ccc(Oc3ccccc3)cc2)cc1 409216990 QLBMVTZTALRHEE-TURZUDJPSA-N 393.486 7.117 30 40 GKEB COc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1OC 1059415 OSFZQNVLAMMVOQ-GMJSKMFWSA-N 382.529 5.539 30 40 GKEB Cc1ccccc1C(=O)Nc1cccc(/N=C/c2c(O)ccc3ccccc23)c1 3139198 AMKUXEBFBGSPTQ-WGOQTCKBSA-N 380.447 5.857 30 40 GKEB C(=N/c1ccccc1Nc1ccccc1/N=C/c1ccccc1)\c1ccccc1 4235686 ZCYBHNVZCKIFSS-MKYUKRCKSA-N 375.475 6.931 30 40 GKEB O=C(O)c1cccc(-c2ccc(/C=N/N(c3ccccc3)c3ccccc3)o2)c1 4474709 BGUVZDXUEXTPMZ-KOEQRZSOSA-N 382.419 5.817 30 40 GKEB CC(C)CC(=O)Nc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1 4649229 UHFLVTQEYSASSY-LFYBBSHMSA-N 386.289 5.330 30 40 GKEB O=C(/C(=C/c1ccccc1OC(F)F)c1nc2ccccc2[nH]1)c1ccccc1 5071752 MSULKGQDWYLLQY-VKAVYKQESA-N 390.389 5.588 30 40 GKEB O=[N+]([O-])c1cc(Br)cc(/C=N/c2cc(Cl)cc(Cl)c2)c1O 6219663 ISSUOAJVCDRKOU-UBKPWBPPSA-N 390.020 5.120 30 40 GKEB COc1cc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)c(O)c([N+](=O)[O-])c1 25692956 GSGJOOYVUBHNGR-LAMRRIJQSA-N 376.372 5.475 30 40 GKEB O=C(/C=C\c1c2ccccc2cc2ccccc12)c1cccc(Br)c1 33374029 OOYGRLHZCLKWNG-SEYXRHQNSA-N 387.276 6.652 30 40 GKEB C(=N/Nc1nc(-c2ccccc2)c2ccccc2n1)\c1ccnc2ccccc12 46085485 VRKAVOFAOXYMSU-WGOQTCKBSA-N 375.435 5.291 30 40 GKEB C/C(CC(=O)c1ccccc1)=N\CCCCC/N=C(\C)CC(=O)c1ccccc1 104207926 FNNLPTYQRNVYRT-CRYYDKFDSA-N 390.527 5.625 30 40 GKEB CCN(CC)c1ccc(/C=C2/SC(=Nc3cccc(Cl)c3)NC2=O)cc1 408749793 UJTYSRMCCKZAJP-LDADJPATSA-N 385.920 5.078 30 40 GKEB Cc1ccc(NC(=O)COc2ccc(/C=N\c3ccccc3Cl)cc2)cc1 408818864 YPTNXWSTKXJGPX-OYKKKHCWSA-N 378.859 5.417 30 40 GKEB CCN(CC)c1ccc(-n2c(C)cc(C=C3C(=O)c4ccccc4C3=O)c2C)cc1 408910405 KCTRYBMNGBAVAF-UHFFFAOYSA-N 398.506 5.403 30 40 GKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(C)o3)c2C#N)C1 996638 IVPAZHHPOHGJSP-GDXASINISA-N 382.529 5.714 30 40 GKEB N#CCOc1ccc2c(=O)c(-c3cccc4ccccc34)c(C(F)(F)F)oc2c1 1915093 VQQPOKXUYOXDMO-UHFFFAOYSA-N 395.336 5.534 30 40 GKEB C=CC[n+]1c(-c2ccc(Cl)cc2Cl)csc1Nc1ccc(C)cc1 1994178 XCOOARJLJVADBR-UHFFFAOYSA-O 376.332 6.247 30 40 GKEB Cc1cccc(-c2nc3cc(/N=C/c4cc(C)cc([N+](=O)[O-])c4O)ccc3o2)c1 3162657 JRVVZLXWODDOIZ-FSJBWODESA-N 387.395 5.476 30 40 GKEB N#CCCSc1nc(C23CC4CC(CC(C4)C2)C3)cc(C(F)(F)F)c1C#N 4620222 IZWOKISZWBWFAC-UHFFFAOYSA-N 391.462 5.446 30 40 GKEB O=C(/C=C/c1ccc(Cl)cc1Cl)c1ccc(NC2=NCCCS2)cc1 6366523 AROGRRNGUFWYIC-WEVVVXLNSA-N 391.323 5.794 30 40 GKEB O=C(C(c1ccccc1)c1ccccc1)N1CCCS/C1=N\c1ccccc1 6597984 QWTIPMJCAQZPCJ-IZHYLOQSSA-N 386.520 5.472 30 40 GKEB CSc1ccc(/C=N\n2c(S)nnc2-c2ccc(Cl)cc2Cl)cc1 12466485 RONMMIBOTPNRTD-OCKHKDLRSA-N 395.340 5.145 30 40 GKEB COc1ccc([C@@H]2C3=C(C[C@@H](C)CC3=O)Nc3c(-c4ccccc4)c(C)nn32)cc1 14163649 NJJVRILPGLBSIR-OYLFLEFRSA-N 399.494 5.135 30 40 GKEB N#CCc1ccc(NC(=O)[C@H]2CCCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)cc1 95465131 BWWGEWCVJYNQOR-ROUUACIJSA-N 392.890 5.195 30 40 GKEB C/C=C(C)\C=N/NC(=S)NCCCCCCCCCCCCCCCC 104376656 ZVKYLBOYIWAGJU-WNKSYRNESA-N 381.674 6.884 30 40 GKEB O/N=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1 226329303 OPDVHXJOEZJHID-CNHKJKLMSA-N 375.049 5.143 30 40 GKEB Clc1ccc(/N=C\c2ccccc2I)c(Cl)c1 408552667 UMPLDDFGCBWMOS-IUXPMGMMSA-N 376.024 5.349 30 40 GKEB Cc1ccc(Sc2ccc(/C=N/c3ccc(N4CCOCC4)cc3)o2)cc1 408932583 XSFGSAHMAIOFJB-XQNSMLJCSA-N 378.497 5.326 30 40 GKEB CCOC(=O)c1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)cc1 409095216 ABJZICXULADPQG-BUVRLJJBSA-N 395.911 6.419 30 40 GKEB CCCCCCCCCCCCCC/C=C\C(F)(F)C(F)(F)C(F)(F)F 575330435 LUBDIABUUNKPEE-NXVVXOECSA-N 392.443 8.467 30 40 GKEB C=CCSc1nc2nccc(-c3cc4c(cc3C)NC(C)(C)C[C@@H]4C)n2n1 618257347 WFPZCXLHXFTYMX-AWEZNQCLSA-N 379.533 5.076 30 40 GKEB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)C(=Cc1ccccc1)C(=O)c1ccccc1 2049243833 LHTRLJFFJJYZCU-CKUXNOBLSA-N 390.523 5.957 30 40 GKEB CCCCCCCCCCSc1nnc(-c2ccc(Cl)cc2Cl)o1 2070148 SRYYNRWAPUSUFU-UHFFFAOYSA-N 387.376 7.276 30 40 GKEB CCCOc1ccc(/C=N/NC(=S)Nc2cc(C)ccc2C)c(OCCC)c1 3269501 HMJKPEOWTMCTSU-HZHRSRAPSA-N 399.560 5.202 30 40 GKEB Cc1ccc(-c2nnc(S)n2/N=C\c2c3ccccc3cc3ccccc23)cc1 4456267 ZKOOTTMOWCZLTA-MYYYXRDXSA-N 394.503 5.731 30 40 GKEB CC1=C(C(=O)CC(=O)Nc2ccc(Cl)c(Cl)c2)Sc2ccccc2N1 5499050 BXGFUCJPWJWHHL-UHFFFAOYSA-N 393.295 5.340 30 40 GKEB CCN1C(=O)/C(=C\c2c(C)[nH]c3ccccc23)S/C1=N\c1ccc(C)cc1 8362973 CEZHYVDFVFDXFV-POHNCSCLSA-N 375.497 5.409 30 40 GKEB CC(C)c1ccc(/C=C2/S/C(=N/N=C3\C[C@@H]4CC[C@]3(C)C4(C)C)NC2=O)cc1 100799765 PFCOYQMSNQEBGY-FKKMJUFTSA-N 395.572 5.572 30 40 GKEB CCCCCCCCCCCCN[C@H](C)C1=C(O)C(=O)c2ccccc2C1=O 104083510 UGZSECUAULSVSQ-GOSISDBHSA-N 385.548 5.777 30 40 GKEB C=CCOc1ccc(NC(=O)c2cc(Cl)ccc2OCc2ccccc2)cc1 219766565 LQUGHLHZZGIACU-UHFFFAOYSA-N 393.870 5.736 30 40 GKEB C=CCSc1ccccc1C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C 223355373 DNTLVJSKPFVIHG-QGZVFWFLSA-N 383.557 5.896 30 40 GKEB C=CCOc1ccccc1/C=C1/SC(=S)N(c2ccc(C)cc2C)C1=O 408530309 KDYDTUOZVKEQEY-CPNJWEJPSA-N 381.522 5.274 30 40 GKEB COc1ccc(/N=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1 409117862 RGKXEXSUGDPHSJ-XKZIYDEJSA-N 398.871 6.159 30 40 GKEB Cc1c(Cl)cccc1/N=C\c1cccc(OS(=O)(=O)c2ccccc2)c1 409214976 VQTVCRCSKRPELW-HMAPJEAMSA-N 385.872 5.167 30 40 GKEB CCOc1ccc(/N=C/c2ccc(OCc3ccccc3)c(OCC)c2)cc1 680918 VZAMONKNZLWTAY-KOEQRZSOSA-N 375.468 5.814 30 40 GKEB CCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1Cl 1443408 HIWVCCKGKBMCSA-JOCHJYFZSA-N 396.918 5.961 30 40 GKEB CC(C)c1ccc(C[C@H](C)C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1 2299254 TZUMUGLNHNZAKZ-INIZCTEOSA-N 378.512 5.649 30 40 GKEB CCCCCCCc1ccc(-c2noc(-c3cc(Cl)cnc3Cl)n2)cc1 2564910 APVVNWNPINAYMP-UHFFFAOYSA-N 390.314 6.618 30 40 GKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@@H]2c1ccc(Cl)cc1 4036863 YEHJKNCWTNEIRG-NRFANRHFSA-N 388.898 6.089 30 40 GKEB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C/C(=C/c1ccc(Cl)cc1)C2=O 4061142 WCHUABIOEGJTRD-WJYFEAOQSA-N 392.926 6.164 30 40 GKEB biogenic COc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccccc2Cl)cc1 8116508 GWPQEELGNFWMPT-ZMOGYAJESA-N 386.278 6.332 30 40 GKEB C/C(=N\OCCOc1cccc(C(F)(F)F)c1)[C@H]1C[C@@H]1c1ccc(F)cc1 12350877 PTXMICIGMHQXQP-WLVOPDRHSA-N 381.369 5.420 30 40 GKEB C/C(=N\N(Cc1ccccc1)c1ccccc1)c1ccc(-c2ccccc2)cc1 12362229 PJNAWPRMDYUDRA-XAYXJRQQSA-N 376.503 6.784 30 40 GKEB C=C(CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 13540573 INDVLXYUCBVVKW-SYYDAFJXSA-N 398.675 7.555 30 40 GKEB biogenic,in-vitro C=CCn1c(SCc2c(C)noc2C)nnc1-c1ccc(Cl)cc1Cl 22613565 QPZKWKCZJGOTAJ-UHFFFAOYSA-N 395.315 5.335 30 40 GKEB CCCCCCCCCc1ccc(-c2ccc(CCCCCCCC)cn2)cc1 100496304 ZDMHXBXNSILCDT-UHFFFAOYSA-N 393.659 8.945 30 40 GKEB Cc1cc2c(cc1/C=N\Nc1ccc(C(=O)O)cc1)[C@H](C)CC(C)(C)N2C(C)C 223595941 TVYCLMSNKXHJSK-YMKHCOABSA-N 393.531 5.640 30 40 GKEB COc1ccc(Br)c2c1-c1nc(/N=C/c3ccsc3)sc1C2 409043419 QRKORDCTDABCDN-CNHKJKLMSA-N 391.315 5.298 30 40 GKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(N(C)C)cc3)c2C)cc1 843451 ZNLIOSYSICSREN-PCLIKHOPSA-N 389.499 5.087 30 40 GKEB CCO[C@H]1C[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=C(C)O1 4721158 ARJPPIIZDXIWHR-QHBDRILJSA-N 384.560 5.801 30 40 GKEB CC[C@@]1(C)C[C@](CC/N=C/c2ccccc2O)(c2ccccc2OC)CCO1 4805421 XTRWYLUNPNUULW-FKQRJVGQSA-N 381.516 5.127 30 40 GKEB CCCCCCOc1ccc(/N=C/c2ccc(O[C@@H]3COCC=C3C)cc2)cc1 4889365 OTYYFZLLXQGSDJ-SUOUMBACSA-N 393.527 6.120 30 40 GKEB Cc1ccc([C@H]2C[C@H]2/C(=N/OC(=O)c2ccc(F)cc2)c2ccc(F)cc2)cc1 5617850 KNKPFWPHMRAHPE-MEGUJVMUSA-N 391.417 5.638 30 40 GKEB CCOc1ccc(/N=C/c2ccc(OCc3ccccc3F)c(OC)c2)cc1 6962537 TYRUGMRQLTUMBY-MFKUBSTISA-N 379.431 5.563 30 40 GKEB Cc1ccc(/N=C/c2c(OCc3cccc(Cl)c3)ccc3ccccc23)cc1 8371738 YGTXPFPGMQUXFQ-JVWAILMASA-N 385.894 7.131 30 40 GKEB CC(C)(C)c1cc(C(F)(F)F)c(C#N)c(SC/C=C/c2ccccc2)n1 9422667 JJBLIZFRGKKKBG-JXMROGBWSA-N 376.447 6.075 30 40 GKEB N#Cc1c(NC(=O)c2cc3ccc4ccccc4c3oc2=N)sc2c1CCCC2 17081706 PFBAZPABNGKQHO-UHFFFAOYSA-N 399.475 5.130 30 40 GKEB C/C(=N/N=C(\C)c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 17377385 LCLPMJFCNUVGJT-DWVPNOFWSA-N 388.514 7.254 30 40 GKEB CC1=C(/C=C\C(C)=N\N=C(C)\C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1 17379445 SQYSFXIDGKWUEA-FOMAKTJTSA-N 380.620 7.989 30 40 GKEB C/C(=N\Nc1nc(-c2ccccc2)c2ccccc2n1)c1nc2ccccc2n1C 46085365 HKZVAMOHVUMRQY-LQKURTRISA-N 392.466 5.020 30 40 GKEB Cc1ccc(-c2noc(CNc3cccc(C#Cc4cccs4)c3)n2)cc1F 71797882 BBYLTGBKPWZPMX-UHFFFAOYSA-N 389.455 5.258 30 40 GKEB CCCCCCC[C@@H](CC)OC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 98001393 UJIYTUFHEQNFHL-HSZRJFAPSA-N 395.543 6.543 30 40 GKEB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118913013 GPXIDAWDPZQTOS-STUZMOOUSA-N 384.648 7.597 30 40 GKEB CC1=NOC(=O)/C1=C\c1cc(Cl)cc(Cl)c1OCc1cccc(F)c1 409076699 BXDCJCYGDUZEAX-CHHVJCJISA-N 380.202 5.028 30 40 GKEB CCCCC(=N/N=c1/[nH]c2ccccc2s1)/N=N/c1ccc(N(C)C)cc1 4044296 VSJYLYATAIAVPU-GVVYLFFUSA-N 380.521 5.484 30 40 GKEB Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nn(-c4ccccc4)c(O)c32)cc1 4205052 BHKBOXPKVWDNJR-HXUWFJFHSA-N 399.494 5.087 30 40 GKEB O=C(/C=C/c1ccc(Br)cc1)c1ccc(NC(=O)c2ccco2)cc1 4762990 QKIHVIAMMLKKLA-LFYBBSHMSA-N 396.240 5.191 30 40 GKEB C/C(=N\Nc1nc(-c2cc(C)ccc2C)cs1)c1cc2ccccc2oc1=O 4957166 OTNJTWXVHOWSBJ-BUVRLJJBSA-N 389.480 5.369 30 40 GKEB C/C(=N\Nc1c(Cl)cc(Cl)cc1Cl)c1ccc(-c2ccccc2)cc1 5725405 VFSJPURAUFNNFO-ZMOGYAJESA-N 389.713 7.150 30 40 GKEB O=C1/C(=C/c2ccccc2OC(F)F)[C@H](c2ccccc2)Oc2ccccc21 6341275 LWDFJZSOZBFKDJ-JIDPPIHHSA-N 378.374 5.688 30 40 GKEB C[C@@H]1CCc2c(sc(NC(=O)c3sccc3-c3ccccc3)c2C#N)C1 6881983 JWYQQYPNVNWQHB-CYBMUJFWSA-N 378.522 5.725 30 40 GKEB Cn1c(N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)nc2ccccc21 7343411 MKFKANBNYLSYRX-ZVHZXABRSA-N 390.874 5.252 30 40 GKEB CCOc1ccccc1CN1C[C@H](C)S/C1=N\c1ccc(Cl)cc1Cl 7699111 UJUMIRMKVAKWJY-XJGUCPAXSA-N 395.355 6.017 30 40 GKEB CCOc1cc(/C=N/c2ccc(CC)cc2)ccc1OCc1ccccc1Cl 8084924 UGLLBWYLBWDUOP-WGOQTCKBSA-N 393.914 6.631 30 40 GKEB Cc1ccc(C)c(/N=C/c2cc(Br)ccc2OCc2ccccc2)c1 8367985 VANXDFPYWQVSLU-ZVHZXABRSA-N 394.312 6.396 30 40 GKEB COc1ccccc1CN/N=C/c1cccc(OCc2cccc(Cl)c2)c1 20762898 NCVXPBUJCREEOK-ZVHZXABRSA-N 380.875 5.051 30 40 GKEB Cc1ccc2oc(-c3ccc(/N=C/c4c(O)ccc5ccccc45)c(C)c3)nc2c1 100517865 SIWQLWBWQODIMY-JFLMPSFJSA-N 392.458 6.721 30 40 GKEB N#Cc1ccccc1Cn1cc(/C=C2\Sc3ccccc3C2=O)c2ccccc21 408815146 RRRSUZUGEWXZKC-CFRMEGHHSA-N 392.483 5.891 30 40 GKEB Cc1nn(-c2ccccc2)c(NC=C2C(=O)CC(C)(C)CC2=O)c1-c1ccccc1 408919783 CHZMKJXEDNNTLI-UHFFFAOYSA-N 399.494 5.102 30 40 GKEB CC[C@H](C)Oc1c(Cl)cc(/C=N/c2cc(C(=O)O)ccc2Cl)cc1OC 409385173 GJIBUEVXEOAWNT-ZOCVZFIWSA-N 396.270 5.628 30 40 GKEB CCCCCc1ccc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 575242967 MOOOESVNEXPCOH-UHFFFAOYSA-N 394.277 6.070 30 40 GKEB CCc1cccc(CC)c1NC(=O)CSc1nc2ccc(C)cc2cc1C#N 1222304 WOGQZLBLRRYZEG-UHFFFAOYSA-N 389.524 5.271 30 40 GKEB CCCCCCN(C(=O)COc1ccccc1C#N)c1nc2ccccc2s1 2643262 FJKUPIQYQKAHHV-UHFFFAOYSA-N 393.512 5.160 30 40 GKEB Cc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)ccc1[N+](=O)[O-] 2739095 PPHOKNFBVMAQMG-AWEZNQCLSA-N 397.500 5.240 30 40 GKEB Cc1ccc2nc(-c3ccc(/N=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3)oc2c1 3085041 ZQWVPMCKXXAMMX-FSJBWODESA-N 391.814 6.115 30 40 GKEB CN1[C@H]2CC[C@@H]1/C(=C/c1ccccc1Cl)C(=O)/C2=C/c1ccccc1Cl 15974601 BPSIHESMRAEMQU-IWLSLIRVSA-N 384.306 5.506 30 40 GKEB C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)N1CCC(c3noc4cc(F)ccc34)CC1)C2 19460727 ZWMZPOYFNBNECF-HJPURHCSSA-N 382.479 5.055 30 40 GKEB C(=C/c1ccccc1)\C=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1 19682452 YAGKEZIKQLVODH-JOARMNLUSA-N 379.507 5.073 30 40 GKEB COc1cccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c1 59503508 KZVGXMBNQSMWNB-BLOQEJBCSA-N 386.476 5.504 30 40 GKEB CCCCCCCCNCc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 102562096 KETKWSWTWHZZJB-UHFFFAOYSA-N 389.967 6.378 30 40 GKEB CC(C)c1ccc(/C=N\CCCCCC/N=C\c2ccc(C(C)C)cc2)cc1 104063571 SAZMIRRSBLZPLF-RSSRHXQMSA-N 376.588 7.032 30 40 GKEB C=CCOc1ccc(-c2nc(O)c3c(C)c(C)sc3n2)cc1Br 408734567 IBUNHUFXZKBYIG-UHFFFAOYSA-N 391.290 5.008 30 40 GKEB COC(=O)c1ccc(-c2ccc(/C=N\Nc3ccc(C(F)(F)F)cc3)o2)cc1 408934189 LPADDMKSEIEEEI-MSXFZWOLSA-N 388.345 5.198 30 40 GKEB Fc1cccc(-c2ccc(/C=N/c3ccc(Br)c(Cl)c3)o2)c1 409020344 OFXGGBLSMZWCOR-UFFVCSGVSA-N 378.628 6.252 30 40 GKEB Cc1cc(N2CCOCC2)ccc1/C=N/c1ccc(Oc2ccccc2C)cc1 409071162 FJLSGHFAYMWEEB-NLRVBDNBSA-N 386.495 5.683 30 40 GKEB C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CCCC3 2319982 MZTBCCDORRMWET-UHFFFAOYSA-N 382.554 5.303 30 40 GKEB CO/N=C/[C@@H]1C(=O)c2c(Oc3ccc(Cl)cc3)cccc2[C@@H]1c1ccccc1 4002258 VPXADWRRRLWUQS-LNLODEDTSA-N 391.854 5.709 30 40 GKEB CSC1=N/C(=N\c2cccc(Cl)c2)C2(CCCCC2)N1c1ccccc1 5586980 RMXRUFASTSCXEG-NMWGTECJSA-N 383.948 6.312 30 40 GKEB N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SC(=O)c1ccccn1 5800198 WOUCWZFNJGRRBY-UHFFFAOYSA-N 393.471 5.615 30 40 GKEB CCOc1c(Br)cc(/C=N/c2ccccc2)cc1Br 6957983 KJOHNPSPUFWOAB-VCHYOVAHSA-N 383.083 5.361 30 40 GKEB Cc1c(Cl)cccc1/N=C/c1cc(Cl)ccc1OCc1ccccc1F 8277840 NFXHPLAUNCEYMC-BRJLIKDPSA-N 388.269 6.771 30 40 GKEB CCCCCCCCCCOc1ccc(/C(=N\O)c2ccc(OC)cc2)cc1 8432940 BRTIBFCZMJNHOZ-IZHYLOQSSA-N 383.532 6.441 30 40 GKEB CC(C)(C)c1cc(C(F)(F)F)c(C#N)c(SCc2ccccc2C#N)n1 9061026 SUPFWPURJCCXSL-UHFFFAOYSA-N 375.419 5.434 30 40 GKEB CC(CNC(=O)c1ccccc1SCC#N)(c1ccccc1)c1ccccc1 12751443 ZKMLUTWGHIGRDN-UHFFFAOYSA-N 386.520 5.038 30 40 GKEB COc1cc(/C=C(\C(=O)c2ccc(C)cc2)c2nc3ccccc3o2)ccc1O 26963712 QAYXYJUIPQMETC-QGOAFFKASA-N 385.419 5.274 30 40 GKEB biogenic,in-vitro CN(C)c1ccc(/C=C2/C(=O)/C(=C/c3ccc(N(C)C)cc3)c3ccccc32)cc1 31570998 LBXCRCFJZWEKDF-RPCRKUJJSA-N 394.518 5.483 30 40 GKEB CCn1cc(/C=C2\C[C@H]3[C@@H]4CCc5cc(OC)ccc5[C@@H]4CC[C@]3(C)C2=O)cn1 36614386 XKRIBCLXBKPPCM-MVPMCVMZSA-N 390.527 5.030 30 40 GKEB O=C(/C=C/Nc1ccc(F)cc1)c1cccc(OCc2c(F)cccc2Cl)c1 100417300 JUDKTUMFPVILIC-VAWYXSNFSA-N 399.824 6.006 30 40 GKEB CCCCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1ccccc1F 102594231 SPQIIXOLIQEBSP-JBCNATCCSA-N 395.474 5.136 30 40 GKEB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(C=C3C(=O)c4ccccc4C3=O)cc21 223509036 DJEBUEYQWZLNNL-UHFFFAOYSA-N 385.507 5.868 30 40 GKEB COc1ccc2c(c1)OCc1sc(/N=C/c3c(O)ccc4ccccc34)nc1-2 408722497 JNIYXKPODDFEHG-FOKLQQMPSA-N 388.448 5.321 30 40 GKEB COc1ccc(NC(=O)COc2ccc(/C=N\c3ccc(C)c(C)c3)cc2)cc1 408805383 AQKPASYLMKEZCP-MYYYXRDXSA-N 388.467 5.080 30 40 GKEB CC[C@H](C)n1cc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)c2ccccc21 408962821 JRIZZJAENPSAHA-PVGUKEHMSA-N 393.487 5.643 30 40 GKEB CCCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)ON=C1c1ccccc1 409088032 DQDOXVZFFPQKSI-GDNBJRDFSA-N 376.239 5.127 30 40 GKEB COc1ccc(C(=O)/C=C(\C)Nc2ccc(Oc3cccc(OC)c3)cc2)cc1 409104123 DVVVHCIMAHMBAG-BMRADRMJSA-N 389.451 5.695 30 40 GKEB CCSCCSc1nc(-c2cccs2)cc(-c2ccccc2)c1C#N 2056307 VODXYVHHOUHLEE-UHFFFAOYSA-N 382.579 6.194 30 40 GKEB CCc1nc2c(c3[nH]c4ccccc4c13)/C(=N/N(C)c1ccccc1)CC(C)(C)C2 4729269 KNCILEJIUQQFKO-QUPMIFSKSA-N 396.538 6.091 30 40 GKEB biogenic O=C1c2ccccc2/C(=N/c2ccccc2Cl)[C@@H]1c1ccc([N+](=O)[O-])cc1 4825642 YVNJSZZFCPZYFB-OBOGJDLMSA-N 376.799 5.349 30 40 GKEB Cc1nc(SCC(=O)N[C@H](C)c2cccc3ccccc23)c(C#N)c(C)c1C 7097459 BCBLDFNVKSTJAT-QGZVFWFLSA-N 389.524 5.001 30 40 GKEB Cn1c(N/N=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)nc2ccccc21 7343402 FTMNLXYQZSKAJD-VULFUBBASA-N 397.457 5.161 30 40 GKEB Cn1cc(/C=C2\Oc3cc(OCc4ccccc4)ccc3C2=O)c2ccccc21 28182507 MLRLPRXNDGNPBZ-CFRMEGHHSA-N 381.431 5.374 30 40 GKEB C/C(=C\C(=O)c1ccc(Cl)cc1)Nc1ccc(/N=N/c2ccccc2)cc1 32194232 ZTWDWSYAOREHIN-PEHRLVKHSA-N 375.859 6.954 30 40 GKEB CCc1ccccc1NC(=O)CSc1nc2ccc(C(C)C)cc2cc1C#N 35288885 LSDLUQPIKCCJIB-UHFFFAOYSA-N 389.524 5.523 30 40 GKEB Cc1nc(NC(=O)CSc2nc3ccc(C(C)C)cc3cc2C#N)sc1C 35310931 QATYEDNIYXABQU-UHFFFAOYSA-N 396.541 5.034 30 40 GKEB Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1/C=N/c1ccccc1[N+](=O)[O-] 97831955 QUJVWIVDIGZKED-KEBDBYFISA-N 375.215 5.146 30 40 GKEB Cc1cccc(-c2nc3ccc(/N=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3o2)c1 98086899 JHBYHLOKLXHOEA-FSJBWODESA-N 391.814 6.115 30 40 GKEB CCCCCCCCCCNC(=S)N1CCN(c2cccc(Cl)c2)CC1 100986433 CVONYPSEHSACRW-UHFFFAOYSA-N 396.044 5.477 30 40 GKEB CCCCCCCCCCCCCCCCCCS(=O)(=O)C[C@H](O)CO 104382104 AOWBDZQRLRUZSD-OAQYLSRUSA-N 392.646 5.016 30 40 GKEB COc1ccc(C2(C(=O)Nc3ccc(OC(C)C)c(C#N)c3)CCCCC2)cc1 225768350 SEPRXTFQEYOBOT-UHFFFAOYSA-N 392.499 5.195 30 40 GKEB CC[C@H](C)c1ccc(/N=C/c2ccccc2OCc2ccc(C(=O)O)cc2)cc1 408959631 CGOSBWRNQGVEMF-PMFZIYJTSA-N 387.479 6.228 30 40 GKEB Cc1ccc(-c2oc(/N=C/c3ccc(F)cc3)c(C#N)c2-c2ccc(C)cc2)cc1 409351617 XWHACHMVMUKPDF-MUFRIFMGSA-N 394.449 6.992 30 40 GKEB Cc1ccc(/N=C/c2cccc(Br)c2)c(C(=O)c2ccccc2)c1 1920196 DYLVXAUYKMAWMW-OEAKJJBVSA-N 378.269 5.739 30 40 GKEB CCCCCCc1ccc(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)cc1 2049885 WEYREPMEEVVHCE-UHFFFAOYSA-N 383.491 6.567 30 40 GKEB COc1ccc2c(c1)CC[C@@H]1[C@@H]3CC/C(=C\c4ccccc4)C(=O)[C@]3(C)CC[C@@H]21 4533312 CZUYRYFVJAOCAN-SNDUWRLYSA-N 386.535 6.204 30 40 GKEB Cc1ccc(/N=C/c2c(O)c(C(=O)Nc3ccccc3C)cc3ccccc23)cc1 4575404 HAPUYTGUZXSYLM-JVWAILMASA-N 394.474 6.165 30 40 GKEB CCOc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(Cl)cc2Cl)cc1 5900438 SVTOUQJJFVAIRP-KEBDBYFISA-N 393.299 5.195 30 40 GKEB CC(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 6826775 SPJYVDPBPZWLAP-IUXPMGMMSA-N 377.223 5.171 30 40 GKEB Cc1ccc(COc2ccc(Cl)cc2/C=N/NCc2ccccc2Cl)cc1 8811796 VIFZWSLSKSIAGT-VULFUBBASA-N 399.321 6.005 30 40 GKEB CC(=O)/C(=N\Nc1ccc(Cl)cc1Cl)Sc1nc2ccccc2s1 16138733 QZDLHSXXJMVMTB-RCCKNPSSSA-N 396.324 5.710 30 40 GKEB C=CCN(Cc1ccc(Cl)s1)C(=O)c1cccnc1Oc1ccccc1 60459746 KHEWOFCWFDAXFK-UHFFFAOYSA-N 384.888 5.417 30 40 GKEB CCCCCCCCCCOC(=O)C(C)C(=O)OCCCCCCCCCC 95682040 KEIQGVOMWXECMZ-UHFFFAOYSA-N 398.628 6.990 30 40 GKEB CC1=CC(=O)/C(=C2/C[C@H](c3ccc(C(C)C)cc3)Nc3ccccc3N2)C(=O)O1 102437419 MESVCKMYEZGKCC-VLMSHNLISA-N 388.467 5.063 30 40 GKEB C=CCOc1cccc(NC(=S)N[C@@H](c2ccccc2)c2ccccc2C)c1 225506867 PGXRDPPXVGTMJP-QHCPKHFHSA-N 388.536 5.636 30 40 GKEB C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)C(=O)/C(=C/c3cccs3)C[C@H]12 253497727 ADNXMRIHODUBNW-KHXLBENKSA-N 384.585 5.714 30 40 GKEB biogenic CCc1ccccc1-n1c(C)cc(/C=N\c2ccccc2Br)c1C 408966792 NMPBOECSCMQEQU-UCQKPKSFSA-N 381.317 6.170 30 40 GKEB Cc1cccc(C)c1/N=C1\S/C(=C\c2ccccc2)C(=O)N1c1ccccc1 3666070 KVCCLPDRFQQAJJ-MZHDSZJTSA-N 384.504 6.112 30 40 GKEB C=C1[C@@H]2CC[C@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]3(C2)[C@@H]1OC(=O)/C(C)=C/C 5494766 VONUYFLABDZCHJ-ASDIPTLUSA-N 386.576 5.434 30 40 GKEB N#CCSc1ccccc1NC(=O)CSc1cc(Cl)ccc1Cl 6080526 LCPZSOUBIAQXLC-UHFFFAOYSA-N 383.325 5.340 30 40 GKEB CC1(C)Cc2c(C#N)c(NC3CCCCC3)nc(Cc3ccccc3)c2CO1 13510302 BYQIYAASSQOWRQ-UHFFFAOYSA-N 375.516 5.140 30 40 GKEB Cc1nnc(SCc2ccc(-c3ccccc3C#N)cc2)n1C1CCCCC1 22414022 SYDNLRGIDOFUTK-UHFFFAOYSA-N 388.540 5.923 30 40 GKEB O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C\c1cccc(Cl)c1 33387122 MYGQJEZMNORMMW-JYRVWZFOSA-N 383.687 5.538 30 40 GKEB CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CS)C(=O)O 72400433 VJUDNRUDRQLCDX-IBGZPJMESA-N 387.630 5.747 30 40 GKEB in-vitro Clc1ccc(N/N=C/C2=C(N3CCOCC3)/C(=C/c3ccccc3)CC2)cc1 89821369 FABMCQKWPKESLY-ZNRHCXQYSA-N 393.918 5.201 30 40 GKEB COc1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1 101890741 NZPUGXLISXPURB-IWIPYMOSSA-N 390.508 5.638 30 40 GKEB CCCCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1ccccc1F 102594237 SPQIIXOLIQEBSP-MRJHHRETSA-N 395.474 5.136 30 40 GKEB CCCCCCCCCCCCCCCCCCNC(=O)N1CCCC[C@@H]1C 104165097 HJKSQYHELAKUJY-DEOSSOPVSA-N 394.688 7.832 30 40 GKEB C=CCN(c1c(C)cc(C)cc1C)S(=O)(=O)c1cc(Cl)ccc1Cl 224939127 HIBTXPKJNQHPNA-UHFFFAOYSA-N 384.328 5.300 30 40 GKEB C=CCOc1cccc(NC(=S)NC2(c3ccc(OCC)cc3)CCCC2)c1 225868613 XJUAKKHJTMDHTN-UHFFFAOYSA-N 396.556 5.406 30 40 GKEB O=[N+]([O-])c1ccc(N/N=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)nc1 408750966 UPWSWGGBGYRJCU-UKWGHVSLSA-N 377.187 5.003 30 40 GKEB CCCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)S/C1=N\c1ccc(C)cc1 408907634 BXMOMISKIOUCLI-DYEBMTOPSA-N 394.496 5.128 30 40 GKEB C=CCOc1ccc(/C=C2/S/C(=N\c3ccccc3CC)N(C)C2=O)cc1 408914974 ONNRPAFALGNURF-OCIPIQTLSA-N 378.497 5.048 30 40 GKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(N4CCCC4)cc3C)S2)c(C)c1 408962522 YWGQMZGJLVNVCS-STZFKDTASA-N 391.540 5.104 30 40 GKEB C[C@H](Oc1ccc(-c2ccc(C#N)cc2)cc1)C(=O)c1ccc(C(C)(C)C)cc1 2622335 IPNAPLAENTZEOP-SFHVURJKSA-N 383.491 6.173 30 40 GKEB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2/N=C/c1ccccc1O 4083927 KCNVLMLASJSATC-LMBPPFNKSA-N 379.588 6.613 30 40 GKEB biogenic CCN(CC)c1ccc(/C=C/C(=O)c2cc3cc(Cl)ccc3oc2=O)cc1 4598249 UTRKYZRQYOXOIP-YRNVUSSQSA-N 381.859 5.189 30 40 GKEB N#Cc1c(NC(=O)c2cc(-c3cccc(Cl)c3)on2)sc2c1CCCC2 4881046 LFMJSBOUQSYXMT-UHFFFAOYSA-N 383.860 5.059 30 40 GKEB O=C1/C(=C/c2ccc(OC(F)F)cc2)[C@H](c2ccccc2)Oc2ccccc21 6341289 QUIMJEXSOJCBLC-DJAVKIJBSA-N 378.374 5.688 30 40 GKEB COc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccco1)C2 20274797 RQTHYXYXODOEIN-OYLFLEFRSA-N 386.451 5.268 30 40 GKEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccsc2)cc1 20732272 FCNAYAICRQMOHO-MGPUTAFESA-N 392.480 5.011 30 40 GKEB CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C)cc1 21722402 BJNVBMHFWMJYEZ-DEOSSOPVSA-N 388.511 5.548 30 40 GKEB Cc1cc2cc(C#N)c(SCC(=O)Nc3cccc(Cl)c3)nc2cc1C 34791565 UVTGGPVJYYVHMT-UHFFFAOYSA-N 381.888 5.108 30 40 GKEB N#Cc1c(-c2ccc(F)cc2)cc(C2CC2)nc1SCC(=O)c1cccs1 37868891 VXJUUKXADMTZQM-UHFFFAOYSA-N 394.496 5.673 30 40 GKEB aggregator CCCCCCCCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 102561868 RUTOOFLPSJFLAS-UHFFFAOYSA-N 394.386 7.023 30 40 GKEB Cc1cc(C)cc(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1 408628869 FLPAWKLSAWEVEJ-INIZCTEOSA-N 396.556 5.405 30 40 GKEB Cc1ccc(/N=C\c2ccc(OCC(=O)NC3CCCCC3)cc2)cc1Cl 408811792 LYYKGHLGSYLIJU-OYKKKHCWSA-N 384.907 5.227 30 40 GKEB Cc1ccc(/N=C2\S/C(=C/c3cccc(O)c3)C(=O)N2C2CCCCC2)cc1 408909807 HMWQUEMBPFHDCR-NVZLDUMVSA-N 392.524 5.637 30 40 GKEB C=CCn1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)c2ccccc21 408916754 YZWOZWLVHDEASE-NFEGURHZSA-N 387.508 5.370 30 40 GKEB CCCOc1c(Br)cc(/C=N\Nc2ccccc2)cc1OCC 409006919 LHXOBIJDEUFEHK-MOSHPQCFSA-N 377.282 5.083 30 40 GKEB Cc1ccc(-c2ccc(/C=N/c3cccc(C(=O)O)c3C)o2)c(Br)c1 409241630 KSAMNNUTNRTIIC-SSDVNMTOSA-N 398.256 5.775 30 40 GKEB O=[N+]([O-])c1cccc(/C=N/c2ccc3nc(-c4ccc(Cl)cc4)oc3c2)c1O 3102943 HCWGEERFQMJSMX-SSDVNMTOSA-N 393.786 5.513 30 40 GKEB CCOc1ccc2c(c1)C(=NNc1cccc(Cl)c1)c1cc(OCC)ccc1-2 4524332 QSAHJVWAQQCYNN-UHFFFAOYSA-N 392.886 5.982 30 40 GKEB N#C/C(=N\Nc1ccc(Cl)cc1)c1nc(-c2cccc3ccccc23)cs1 5023473 UOQQXBAVHUJQFT-LGUFXXKBSA-N 388.883 5.956 30 40 GKEB COc1c(Cl)cc(Cl)cc1/C=N/Nc1nc(-c2ccccc2)cs1 5610752 JBVGSLPHRPRIGT-AWQFTUOYSA-N 378.284 5.572 30 40 GKEB O/N=C/c1cc2ccccc2c[n+]1Cc1ccc2ccc3cccc4ccc1c2c34 16991103 JBFZOGBZRCOBRT-UHFFFAOYSA-O 387.462 5.881 30 40 GKEB CCCCCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)F 103526062 WWUMAPMEPDECTD-UHFFFAOYSA-N 380.432 8.301 30 40 GKEB CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CC)(CO)CO 103661862 WAZOXQOFCQKLFT-QXMHVHEDSA-N 398.628 5.948 30 40 GKEB O=C1/C(=N\c2ccc(Cl)nc2)C[C@@H](c2ccccc2)N1c1ccc(Cl)nc1 104318696 IEDHRGHUGCVFDC-WZGIJCTISA-N 397.265 5.034 30 40 GKEB N=C1S/C(=C\c2ccc3[nH]c4ccccc4c3c2)C(=O)[C@@H]1c1nccs1 107648290 AMJJXOIESDLVDR-MQHZDOENSA-N 375.478 5.195 30 40 GKEB CC(C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1C#N 225685136 WXFDVKVVYAGSBA-UHFFFAOYSA-N 382.891 5.449 30 40 GKEB CC(C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1C#N 225764258 CMZKQGWRZNMCKZ-UHFFFAOYSA-N 396.918 5.839 30 40 GKEB C=CCOc1cccc(NC(=O)c2ccc(CSc3ccccc3)cc2)c1 408564185 SLUDTBVHIOYHGN-UHFFFAOYSA-N 375.493 5.796 30 40 GKEB Cc1ccc(/N=C\c2ccc(-c3ccc(C(=O)O)cc3C)o2)c(Br)c1 408960117 BZBIMCWZXAHXLR-JJFYIABZSA-N 398.256 5.775 30 40 GKEB CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C 604940966 VWHLTGDFWDZMNR-IXKNJLPQSA-N 398.587 6.177 30 40 GKEB Cc1ccc(S[C@@H](C(=O)c2ccccc2)[C@@H](c2ccccc2)C(C#N)C#N)cc1 1445612 UHLJGOQBZSPDSD-UKILVPOCSA-N 396.515 5.786 30 40 GKEB CCn1c2ccccc2c2cc(/C=N\n3c(-c4ccccc4)n[nH]c3=S)ccc21 2349539 XNQFSPSPIVINEQ-IWIPYMOSSA-N 397.507 5.618 30 40 GKEB CCOc1cccc([C@@H]2Sc3ccccc3NC3=C2C(=O)c2ccccc23)c1 2441888 OWYMXDCKUTYSIN-DEOSSOPVSA-N 385.488 5.952 30 40 GKEB C/C(=N\OCc1c(Cl)cccc1Cl)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1 4084889 AWHIOBRWISNHCM-GRHKXDHESA-N 376.327 6.813 30 40 GKEB COc1nc(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)c(Cl)c2)c1C#N 5329594 APRIFTYXAQADDM-UHFFFAOYSA-N 389.669 6.256 30 40 GKEB O=C(/C=C/c1ccc(Oc2ccccc2)cc1)c1ccc(N2CCOCC2)cc1 5692988 QDSJNTQFCZNVDM-OVCLIPMQSA-N 385.463 5.212 30 40 GKEB COc1ccc(/N=C/c2c(C)c(/C=N/c3ccc(OC)cc3)n3ccccc23)cc1 5724455 YITNPVVWHZMFFL-CTVDDJEBSA-N 397.478 5.766 30 40 GKEB Cc1ccc(/N=C/c2c(OCc3ccccc3F)ccc3ccccc23)c(C)c1 8368479 RQFCZIGKZWJRIB-LQKURTRISA-N 383.466 6.925 30 40 GKEB Cc1ccsc1/C=C1\Oc2cc(OCc3ccccc3Cl)ccc2C1=O 13769290 DZEDKQKZFMWRDN-ODLFYWEKSA-N 382.868 5.905 30 40 GKEB CSc1ccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)cc1 33687016 CZZVMPRTDCFACQ-CYVLTUHYSA-N 387.529 6.442 30 40 GKEB CCCCCCCCCCCCCCCCNCCOc1ccc(CC)cc1 100023340 CORDSMIPZFSNSD-UHFFFAOYSA-N 389.668 7.699 30 40 GKEB FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COc1ccccc1 103550381 BWABCXAVUKPNPG-UHFFFAOYSA-N 376.165 5.169 30 40 GKEB CCCCCCCCCCCCNC(=S)N/N=C\C(C)=C/c1ccccc1 104386653 BWONBQIZMOWFQC-NILMZRHTSA-N 387.637 6.461 30 40 GKEB N=C(O)[C@@H]1CC[C@H](/C(O)=N/[C@@H]2CCCCC[C@@H]2c2ccccc2C(F)(F)F)O1 329521062 QOIKDOPVZJFEQT-MXASKKJJSA-N 398.425 5.161 30 40 GKEB CCOc1ccc(Cl)cc1/C=N/c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 409107299 RSMYJTHSSNMSKI-JVWAILMASA-N 393.958 6.957 30 40 GKEB O=[N+]([O-])c1cccc(-c2nc3ccccn3c2/N=C/c2ccccc2Cl)c1 863094 WFSPJPVWCSTGSS-LPYMAVHISA-N 376.803 5.314 30 40 GKEB C=CCn1c(SCC(=C)C)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 2183002 CMTMFCQMZRULOU-UHFFFAOYSA-N 392.568 5.523 30 40 GKEB biogenic COc1cccc(-c2nc(CSc3nc(C)cc(C)c3C#N)cs2)c1OC 5643487 FJOFZKKGTZZGCZ-UHFFFAOYSA-N 397.525 5.003 30 40 GKEB COc1cc(/C=N/c2ccc(C)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 8371902 HLXYMOFWYYSQEU-OEAKJJBVSA-N 376.412 5.241 30 40 GKEB FC(F)(F)c1cccc(N/C(S)=N\C(c2ccccc2)c2ccccc2)c1 8687890 YWOOXOMNPREAPY-UHFFFAOYSA-N 386.442 6.193 30 40 GKEB O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C\c1ccc(Cl)cc1 12438653 MTWIXXYEBJVJDO-JYRVWZFOSA-N 383.687 5.538 30 40 GKEB O=C(/C=C/Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 16400616 XGJAYFNXYMEDQU-AATRIKPKSA-N 377.259 5.672 30 40 GKEB CCCC[C@H](CC)COc1cc(C#N)c(OC[C@H](CC)CCCC)cc1C#N 17172951 CKCPPOLWIZCTAL-BGYRXZFFSA-N 384.564 6.620 30 40 GKEB CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@H]2c1ccccc1Cl)OCO3 18197445 YRDQARMEHRPBIX-HXUWFJFHSA-N 381.859 5.269 30 40 GKEB O/N=C1/CCCCCCCCCC[C@H]1N1CCN(c2ccccc2Cl)CC1 100950503 XNOULDUJRSBNPK-JZBNPYPUSA-N 391.987 5.575 30 40 GKEB CCOC(=O)c1ccc(/N=C/c2nc3ccccc3n2Cc2ccccc2)cc1 103754784 DPUBGRZTWZTZDP-PCLIKHOPSA-N 383.451 5.012 30 40 GKEB C=CCSc1ccccc1C(=O)NCCSCc1ccc(Cl)cc1 219799516 ZUKVKIKMDKZGJA-UHFFFAOYSA-N 377.962 5.281 30 40 GKEB C=CCN1C(=O)S/C(=C\c2cc3c(cc2C)N(CC)C(C)(C)C[C@@H]3C)C1=O 223584813 IQGBAQWSSXOORI-CCRNYGKSSA-N 384.545 5.329 30 40 GKEB Cc1cccc(C2(C(=O)Nc3ccc(OCC(C)C)cc3C#N)CCCC2)c1 225679211 PQLATFPAJSDCMS-UHFFFAOYSA-N 376.500 5.352 30 40 GKEB Cc1ccc(/N=C\c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1C 408801400 ANODQESZCQBDDL-ZWXNIRCYSA-N 386.495 5.310 30 40 GKEB C=CCN1C(=O)/C(=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)SC1=S 408814046 PROLQDLOCMZAAW-YVLHZVERSA-N 388.945 5.135 30 40 GKEB Cc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)cc1 408866574 HEZXUUVVKVTWGX-CXWSVMKBSA-N 390.552 6.178 30 40 GKEB C=C(C)Cn1c(SCCC)nc2sc3c(c2c1=O)CCc1ccccc1-3 2354856 OVCYQPKGRUOPMY-UHFFFAOYSA-N 382.554 5.302 30 40 GKEB Oc1c(/C=N/N(Cc2ccccc2)c2ccccc2)cc2c3c1CCCN3CCC2 5338320 UMWOFHBTIBPEAD-OVVQPSECSA-N 397.522 5.132 30 40 GKEB COc1ccc([C@@H]2C[C@H]2/C(C)=N/Oc2ncc(C(F)(F)F)cc2Cl)cc1 12351059 NQYRSCSHZVNIEC-PDUFECEVSA-N 384.785 5.321 30 40 GKEB C=C(C)CN(CC)C(=O)c1cc2c(C)nn(Cc3ccccc3Cl)c2s1 12987586 HGQWHKYFLBMJQT-UHFFFAOYSA-N 387.936 5.146 30 40 GKEB Cc1cccc(C)c1/N=C1\NC(=S)N(c2cccc(O)c2)C12CCCCC2 13765022 HIFHIVWLHIJZHB-UHFFFAOYSA-N 379.529 5.137 30 40 GKEB O=c1oc2ccccc2cc1-c1csc(N/N=C\c2cccc(Cl)c2)n1 31885760 FEVQPSCLUFCXFS-FBHDLOMBSA-N 381.844 5.016 30 40 GKEB O=C1/C(=C/c2ccccc2OC(F)F)[C@@H](c2ccccc2)Oc2ccccc21 32641975 LWDFJZSOZBFKDJ-MTPVXSITSA-N 378.374 5.688 30 40 GKEB C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@@H]1c1ccc(C)cc1)c1ccc(C)cc1 59459526 UZMMRJKAEDTMKT-NBRNZJABSA-N 397.522 5.071 30 40 GKEB C/C(=N\c1ccccc1Cl)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 100370404 IUVQVQHPLYHDSZ-MFKUBSTISA-N 388.854 5.490 30 40 GKEB C=CCN(C(=O)c1cscn1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 102979541 KJSNARNDXZQNEC-UHFFFAOYSA-N 396.324 5.406 30 40 GKEB CCOc1ccccc1/N=C\c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12 408541249 FOWLPLKURPKEEU-CFRMEGHHSA-N 388.423 5.130 30 40 GKEB C1=C[C@@H]2c3ccccc3N[C@@H](c3ccc(/N=C/c4ccc5c(c4)OCO5)cc3)[C@@H]2C1 408938415 QJNJCZMFDYLSAR-HVCNHYHYSA-N 394.474 5.992 30 40 GKEB Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)s1 718191 UWXHPTUWIKXTFX-PEBXRYMYSA-N 392.549 6.098 30 40 GKEB CCOC(=O)c1c(/N=C/c2cc(Cl)cc(Cl)c2OC)sc(C)c1C 865526 LADZYDFCNNOMHB-DNTJNYDQSA-N 386.300 5.608 30 40 GKEB CC1(C)CC(=O)c2cc(C#N)c(SCc3ccc(Cl)cc3Cl)nc2C1 1305063 KYAWNYNIDBFZKC-UHFFFAOYSA-N 391.323 5.707 30 40 GKEB COc1cc(OC)c(C(=O)/C=C/c2ccc(C(C)C)cc2)cc1CC=C(C)C 4473138 ICIUTEMGFDFTHB-GXDHUFHOSA-N 378.512 6.232 30 40 GKEB CC(C)C/C(=N/OC(=O)Nc1ccccc1)c1ccc(C2CCCCC2)cc1 5380347 ZDDHPZPYDHQPFJ-RWEWTDSWSA-N 378.516 6.733 30 40 GKEB CCOC(=O)/C=C/c1ccc(C(=O)/C=C/c2ccc(-c3ccc(C)cc3)o2)cc1 5546199 FDHOIVMXWXMWMF-SFFIYBTHSA-N 386.447 5.727 30 40 GKEB CN(C)C(=O)Oc1c(Cl)cc(Cl)cc1/C=C/C(=O)c1ccccc1Cl 5912392 LITPQFXWQKETJH-BQYQJAHWSA-N 398.673 5.603 30 40 GKEB Clc1ccc(CN/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 10118706 DCLPOEIEZIUDJI-AFUMVMLFSA-N 385.294 5.696 30 40 GKEB C=CCOc1ccc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3o2)cc1 11614208 RPWDRRNMCQJASJ-HEHNFIMWSA-N 381.431 5.816 30 40 GKEB N#Cc1ccccc1-c1ccc(CSc2nncn2-c2ccccc2F)cc1 12543944 QMZWHWLDLJAYNB-UHFFFAOYSA-N 386.455 5.237 30 40 GKEB CCCCCCOc1ccccc1/C=N/N=c1/[nH]c(-c2ccccc2)c(C)s1 59193824 XOBKMZYVEQXTRV-JJIBRWJFSA-N 393.556 5.946 30 40 GKEB O=C(/C=C/c1csc(-c2ccc(C(F)(F)F)cc2)n1)c1cccc(O)c1 60421714 RXZPAOXSCJABLN-CMDGGOBGSA-N 375.371 5.431 30 40 GKEB CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H]1COC(C)(C)O1 72399969 LEEQPXMGHNSQNP-GJCOWUBNSA-N 396.612 6.719 30 40 GKEB in-vitro CCCCCCCC[C@@H]1S[C@H]1CCCCCCCC(=O)N1CCOCC1 100300032 DPYGHXSTRIZSJD-SFTDATJTSA-N 383.642 5.811 30 40 GKEB CC(=O)O[C@@H]1CC[C@H]2[C@@H]3C[C@H](C(F)(F)F)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118930609 UJAUIJIBACQMCG-RWRVNDKOSA-N 398.465 5.238 30 40 GKEB C=CCOC(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 226336391 LMOJWOMSENPHAB-WEVVVXLNSA-N 393.266 5.323 30 40 GKEB COC(=O)c1ccc(Cl)c(/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c1 408775039 ZZGJBOKWQLSQRD-WYMPLXKRSA-N 384.838 5.424 30 40 GKEB O=C1C(=Cc2ccc(Sc3nc4ccccc4s3)o2)C(=O)c2ccccc21 408989350 HLZITQRKNVMEMR-UHFFFAOYSA-N 389.457 5.503 30 40 GKEB Cc1c(Cl)cccc1/N=C/c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O 409091564 RKNVSGGIZFIXLX-VULFUBBASA-N 379.931 6.572 30 40 GKEB O=c1c2ccccc2nc(-c2cccc(C(F)(F)F)c2)n1N=Cc1cccs1 409307189 RNGWZFWNMJFMBY-UHFFFAOYSA-N 399.397 5.026 30 40 GKEB COc1ccc([C@H](C2=C(O)CC(C)(C)CC2=O)c2c(C)[nH]c3ccccc23)cc1 956915 NZEIPPPVSWTQNG-QHCPKHFHSA-N 389.495 5.818 30 40 GKEB CCCCCCCCCC(=O)Oc1ccc(C)cc1-n1nc2ccccc2n1 1839022 AVCDXLBQOHYDEQ-UHFFFAOYSA-N 379.504 5.775 30 40 GKEB N#Cc1c(SCc2ccccc2F)nsc1SCc1ccccc1F 2185948 OAYOUPBHZNWUQU-UHFFFAOYSA-N 390.505 5.878 30 40 GKEB C=CCOc1ccccc1/C=C1\CCC/C(=C\c2ccccc2OCC=C)C1=O 4614466 VCNSLUQFOIMPTI-DPIBHUQISA-N 386.491 6.036 30 40 GKEB C/C(=N/Nc1nc(-c2ccccc2F)nc2ccccc12)c1ccc(Cl)cc1 5032471 WFGMMWPHFXRPPP-VYYCAZPPSA-N 390.849 5.925 30 40 GKEB N#Cc1ccccc1CSc1nnc(COc2ccccc2Cl)n1C1CC1 5230838 CXKWDGVQANKCKO-UHFFFAOYSA-N 396.903 5.009 30 40 GKEB COc1c(Br)cc(Br)cc1/C=N/c1cc(C)ccc1C 5379812 KHGJNPZFMFBDBY-DJKKODMXSA-N 397.110 5.588 30 40 GKEB CCCC(=O)Nc1ccc(Cl)c(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)c1 6263830 RBQYXUULCLNUQO-AWQFTUOYSA-N 396.230 5.096 30 40 GKEB CCc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)cc1 8084365 VSSOHNKSNANQAK-CVKSISIWSA-N 393.914 6.549 30 40 GKEB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(O)C#Cc1ccccc1 13406904 LZYLYVQWNIUJNH-VZDIHLCHSA-N 392.583 5.173 30 40 GKEB biogenic O=C(/C=C/Nc1ccc(F)cc1Br)c1ccc(Br)cc1 44974944 SODGDLDIUFUFHS-BQYQJAHWSA-N 399.057 5.159 30 40 GKEB CCCCCCCCOc1ccc(/C=C2\SC(=O)N(CC)C2=O)cc1OC 101012938 FHCGPFWSJLZXPS-CYVLTUHYSA-N 391.533 5.491 30 40 GKEB C=CCn1c(-c2ccc(Cl)cc2Cl)cs/c1=N/c1ccccc1Cl 102962675 FKBJMJMLKLJCKL-RELWKKBWSA-N 395.742 6.595 30 40 GKEB CC(C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1C#N 225761359 OUXNNLXAANLWAR-UHFFFAOYSA-N 380.463 5.325 30 40 GKEB Clc1ccccc1COc1ccc(/C=N/Nc2nc3ccccc3s2)cc1 408719593 YLDSVJFQTCQGBZ-YDZHTSKRSA-N 393.899 5.975 30 40 GKEB C=C(C)COc1cc2c(C(=O)OCC)c(C(C)(C)C)oc2cc1Br 728024 ICORCEKGLIFLCG-UHFFFAOYSA-N 395.293 5.624 30 40 GKEB Cc1ccc(C)c(NC(=O)CSc2nc3c(C)ccc(C)c3cc2C#N)c1 976999 PFWMEQSRUQCOLP-UHFFFAOYSA-N 375.497 5.071 30 40 GKEB N#Cc1ccc(/C=N/c2cccc3c(/N=C/c4ccc(C#N)cc4)cccc23)cc1 1003522 HWEDEYZWDWILRB-YAGSLNJISA-N 384.442 6.084 30 40 GKEB O=C1C2=C(Nc3ccccc3S[C@@H]2c2cccc([N+](=O)[O-])c2)c2ccccc21 2431044 OLHPSNSBRINYRU-JOCHJYFZSA-N 386.432 5.461 30 40 GKEB N#Cc1ccc(-c2csc(NC(=O)c3sc4ccccc4c3Cl)n2)cc1 4076451 ZRSBASLGGACOTF-UHFFFAOYSA-N 395.896 5.802 30 40 GKEB N#Cc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 4689726 FUDAXOLRMKALFF-CHHVJCJISA-N 391.304 5.271 30 40 GKEB COc1ccc([C@H]2Sc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1OC 4748760 KJEMQRSPGMIMMX-JOCHJYFZSA-N 395.524 5.606 30 40 GKEB Oc1ccc2ccccc2c1/C=N/c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 4756459 WUIAQBCOHLMKNA-OGLMXYFKSA-N 381.519 6.764 30 40 GKEB O=C1N/C(=N/c2ccc(Cl)cc2C(F)(F)F)S/C1=C\c1ccccc1 5376275 WIQJUFMFWXNEAJ-ZSOIEALJSA-N 382.794 5.250 30 40 GKEB CCCOc1ccc(/C=N/n2c(-c3cccc(OC(C)C)c3)n[nH]c2=S)cc1 5738390 MAXDBOUDHLQZJV-HYARGMPZSA-N 396.516 5.066 30 40 GKEB COc1cc(Cl)c(C)cc1NC1=C(c2ccccc2)C(=O)c2ccccc21 6824392 PYYHHYKFCQTZFV-UHFFFAOYSA-N 375.855 5.834 30 40 GKEB Cc1cc(/C=N/Nc2nc3ccccc3n2C)c(C)n1-c1cccc2ccccc12 7343435 TVLCFLNAMHQQLA-WGOQTCKBSA-N 393.494 5.580 30 40 GKEB Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccccc2Cl)c(C)c1 8368607 FAASOLONSXCZPD-DHRITJCHSA-N 384.306 6.940 30 40 GKEB CC(C)OC(=O)c1ccc(-c2ccc(/C=C3\Sc4ccccc4C3=O)o2)cc1 13615669 NHLAYAAFJYEWMW-BKUYFWCQSA-N 390.460 5.841 30 40 GKEB COc1ccccc1/C=C1\S/C(=N\c2ccccc2)N(Cc2ccco2)C1=O 13880823 GEFSVXPHXKDDHC-DJOYVXLESA-N 390.464 5.092 30 40 GKEB CCCCCCCCCCCC(=O)[C@@H](CCCCCCCCCC)C(=O)OC 100302350 MPNOPEYAQGNQJY-HSZRJFAPSA-N 396.656 7.796 30 40 GKEB C[C@H](C(=O)Nc1cccc(N/C=C2/C(=O)C=Cc3ccccc32)c1)c1ccccc1 100473265 UADRPWLRVLBVBC-KHCKMINHSA-N 394.474 5.478 30 40 GKEB in-vitro CCOc1cccc(/C=N\c2ccc(-c3nc4ccc(C)cc4s3)cc2)c1O 100922964 RXNVRCTVYGKSJM-OYKKKHCWSA-N 388.492 6.127 30 40 GKEB N#Cc1cn(C(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c2ccccc12 226362348 LMEHYCGOLGRTHO-ZRDIBKRKSA-N 383.363 5.035 30 40 GKEB CCCN1C(=O)/C(=C\c2ccc(Br)o2)S/C1=N\c1ccccc1 408915290 ZDARPMYMUKPMDZ-XZYLENRPSA-N 391.290 5.056 30 40 GKEB CCc1ccccc1-n1c(C)cc(/C=N/c2ccc(Br)cc2)c1C 408966657 MVWGORSRFOOPCL-OEAKJJBVSA-N 381.317 6.170 30 40 GKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3cc([N+](=O)[O-])ccc3O)c2C#N)C1 409081456 PFKVQMFJTBCNHM-XIJPWPHISA-N 383.473 5.135 30 40 GKEB CC[C@H](C)Oc1ccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc1 1531384279 YSBVLBUGSFZBIL-WYZSWBMLSA-N 397.478 5.123 30 40 GKEB COc1c(Cl)ccc(Cl)c1C(=O)Nc1sc2c(c1C#N)CCCC2 939897 UQOOFJHRBAOBCL-UHFFFAOYSA-N 381.284 5.066 30 40 GKEB CCOc1ccc(/C=C2/S/C(=N\c3cccc(Cl)c3Cl)NC2=O)cc1 8323848 QPYRDBNIQVLCAQ-XNTDXEJSSA-N 393.295 5.284 30 40 GKEB CCOc1ccccc1[C@@H]1C2=C(CC(C)(C)CC2=O)N=C2C1=C(O)c1ccccc12 8462425 CTZQOXBYLRRAIB-OAQYLSRUSA-N 399.490 5.598 30 40 GKEB Cc1ccccc1/N=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1 8570914 KTEHEDDCZDFGBT-HYARGMPZSA-N 385.872 5.167 30 40 GKEB Cc1ccc(OCc2ccc(-c3nc(C#N)c(NCc4ccccc4)o3)o2)cc1C 39404147 LVMLQZOGFPPKQC-UHFFFAOYSA-N 399.450 5.614 30 40 GKEB Cc1ccc(-c2cnc(SCC#N)n2-c2ccc(OC(F)(F)F)cc2)cc1 44087980 URRBMQVJJLNUCC-UHFFFAOYSA-N 389.402 5.362 30 40 GKEB CCCCCCCCCCCCNC(=S)N/N=C\c1ccccc1Cl 100355231 ZZMCBVREEMYMJO-QJOMJCCJSA-N 382.017 6.059 30 40 GKEB C=CCN1C(=O)/C(=C2/SC(C)=C(C)N2CC)S/C1=N\c1cccc(C)c1 103469306 SNRVRXFNYOCCQR-KAXIZBKFSA-N 385.558 5.233 30 40 GKEB CCn1ccc(/C=C2/C[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)n1 118916110 ILNJYEIJHGACFY-DHGDJTRASA-N 380.576 5.898 30 40 GKEB COc1ccc(-c2nc(/N=C/c3ccccc3O)sc2-c2ccccc2)cc1 408723418 UGMHVYDCDSSSFJ-BUVRLJJBSA-N 386.476 5.942 30 40 GKEB Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2cccc3ccccc23)S1 408872177 AOEYQROXZDUDMS-UNOMPAQXSA-N 378.884 5.693 30 40 GKEB Cc1[nH]c2ccccc2c1/C=C1/S/C(=N\c2ccccc2)N(C(C)C)C1=O 408912854 RRQRSAQJELRJBA-POHNCSCLSA-N 375.497 5.489 30 40 GKEB CC[C@@H](C)Oc1ccc(/C=N/c2ccc(Nc3ccccc3)cc2)cc1Cl 409013803 VUKHDOPUZMURON-GZPJKGAFSA-N 378.903 7.012 30 40 GKEB COc1cccc(Oc2ccc(/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)cc2)c1 409064746 FBMDILISONIVCQ-LPYMAVHISA-N 382.803 5.800 30 40 GKEB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1sc(C)c(C)c1C#N 1262336 CRFGEUSZOYTENB-SNAWJCMRSA-N 381.284 5.204 30 40 GKEB C(#Cc1c2ccccc2cc2ccccc12)c1c2ccccc2cc2ccccc12 3122121 WSEMPUNMUMBGQG-UHFFFAOYSA-N 378.474 7.699 30 40 GKEB O=C(Oc1ccc(/C=N/c2ccc(Br)cc2)cc1)c1ccccc1 3169015 HJQCLMUFGOSNDT-HYARGMPZSA-N 380.241 5.419 30 40 GKEB C[C@@H]1C/C(=C\c2ccccc2)c2nc3ccccc3c(C(=O)O[C@H](C)C#N)c2C1 4340754 JEXWBLFHMKTLOH-GORXNEINSA-N 382.463 5.427 30 40 GKEB Fc1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3)nc3ccccc23)cc1 4828797 FZCNXMWRAHFUIZ-ZMOGYAJESA-N 376.822 5.535 30 40 GKEB Cc1cc(C)c2nc(SCC(=O)Nc3cccc(C)c3C)c(C#N)cc2c1 4849150 ZQGHGCHWWSQMMB-UHFFFAOYSA-N 375.497 5.071 30 40 GKEB Cc1ccccc1/C=C/C(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O 5052943 ZTTYPQIGACJDHI-SDNWHVSQSA-N 399.877 6.053 30 40 GKEB CCCC/N=c1\scc(-c2ccc(-c3ccccc3)cc2)n1N=C(CC)CC 6426614 JTZHUPWEPSMLCZ-IZHYLOQSSA-N 391.584 6.609 30 40 GKEB CSc1ccc(/C=N\N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 12371903 WZCWFYFPLITGMZ-ITYLOYPMSA-N 399.563 5.130 30 40 GKEB C/C(=C\C(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)cc1Br 32100578 WAAUWNXNUDVEES-CSKARUKUSA-N 385.088 5.955 30 40 GKEB CC(C)=CCC[C@]1(C)C/C(=N\NS(=O)(=O)c2ccc(C)cc2)CC(C)(C)C1 98175185 GMSTVADIOXUWFP-SXKPWUIASA-N 390.593 5.592 30 40 GKEB C[C@H](NC(=O)c1ccccc1N/C=C1/C(=O)C=Cc2ccccc21)c1ccccc1 100477404 YUGODMKHHCZZOI-LWJGVMBGSA-N 394.474 5.227 30 40 GKEB CCCCCCCOc1ccc(-c2nc(/C=C/c3ccccc3)cc(=O)o2)cc1 100793677 WTTDDWJCXHVRRO-NTCAYCPXSA-N 389.495 6.221 30 40 GKEB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(O)C#Cc1ccccc1 118914924 WMAFYLBLTLVKOY-LHPGEAEKSA-N 376.584 6.202 30 40 GKEB CC(C)CC(=O)C[C@H](c1ccccc1)[C@H](C(=O)/C=C/c1ccccc1)C(C)C 1577846 GXELYPUYAMBBKI-LZLHQAPRSA-N 376.540 6.330 30 40 GKEB Cc1ccn2c(/C=N/OCc3ccc(F)cc3)c(-c3ccc(Cl)cc3)nc2c1 4024652 RTQPJVNHDHTDHI-DHRITJCHSA-N 393.849 5.653 30 40 GKEB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/Nc1ccnc2cc(Cl)ccc12 5658168 QGNVZMSQWMLABB-WYMPLXKRSA-N 396.281 5.482 30 40 GKEB CCOc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(C(C)(C)C)cc2)cc1 5900422 PCEGBOJMGIVXDS-HYARGMPZSA-N 380.517 5.186 30 40 GKEB Cc1nn2c3ccccc3n(C)c2c1C(=O)/C=C/c1ccccc1C(F)(F)F 8337824 GESWRIXIZBQUDF-VAWYXSNFSA-N 383.373 5.049 30 40 GKEB Cc1ccc(C)c(/N=C/c2ccc(OCc3ccccc3)c(Br)c2)c1 8368008 WVRRHIRDYXIWOP-ZVHZXABRSA-N 394.312 6.396 30 40 GKEB Cc1ccc(COc2ccc(Cl)cc2/C=N/NCc2ccc(Cl)cc2)cc1 10119012 UJNFSNKOIQQXEQ-VULFUBBASA-N 399.321 6.005 30 40 GKEB COc1cccc(C(=O)Oc2ccccc2/C=C/C(=O)c2cc3ccccc3o2)c1 14017442 ZXZLKAKHXCDWOD-BUHFOSPRSA-N 398.414 5.557 30 40 GKEB CCOc1ccc(/C=N/c2ccc(/C=C(\C)C(=O)OCCC(C)C)cc2)cc1 18212095 XUALOKRPDKNKGC-ZNRHCXQYSA-N 379.500 5.829 30 40 GKEB COc1ccccc1CN/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 20761721 COHPBNXNNBCLOU-FSJBWODESA-N 375.255 5.386 30 40 GKEB N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SC[C@H]1CCCCO1 26704176 ZKPHVDHQYUDPJS-LLVKDONJSA-N 384.448 5.362 30 40 GKEB Cc1c(C(=O)Nc2ccccc2)sc2c1[C@H](c1ccc(C#N)cc1)CC(O)=N2 32100213 IXHAFOBPSISVCV-KRWDZBQOSA-N 387.464 5.304 30 40 GKEB CCCCCCCCNCc1ccc(OCc2ccccc2Cl)c(OC)c1 102562093 UOHWSAFIXOCNJQ-UHFFFAOYSA-N 389.967 6.378 30 40 GKEB Fc1ccc(N2C(=S)SC(=N/c3ccccc3)/C2=N\c2ccccc2)cc1 102817876 BHEHJBMUWWKGNG-BLVCXSLXSA-N 391.496 6.124 30 40 GKEB CC1(C)CC2=NC3=C(C(=O)c4ccccc43)[C@@H](c3ccc4c(c3)OCO4)C2=C(O)C1 104158361 LEKZHWKHVWXRTB-FQEVSTJZSA-N 399.446 5.193 30 40 GKEB Cc1ccc(N2Cc3ccccc3/C2=N/C(=O)Nc2ccc(Cl)cc2)cc1 105925343 SECQXPCJOJPWJR-DAFNUICNSA-N 375.859 5.647 30 40 GKEB Cc1ccc(-n2c(C)cc(/C=N/Nc3ccccc3)c2C)cc1Br 107603664 KNKXTBDFSTTYAI-LPYMAVHISA-N 382.305 5.611 30 40 GKEB C[C@H]1CC(C)(C)N(C)c2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc21 198074494 UCCMVVACZCJMPZ-WRGIWNTCSA-N 384.523 6.952 30 40 GKEB CCCCCCC/C=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575330204 LYBYCUKNQFGBND-HJWRWDBZSA-N 394.268 7.007 30 40 GKEB COc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2CCCC3=O)cc1OC 817955 NYGJHZGWSJVISO-VWLOTQADSA-N 385.463 5.530 30 40 GKEB biogenic Cc1ccc(N/N=C(/C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)c(C)c1 4175514 LYQUIFWVNPOOEW-MEFGMAGPSA-N 388.540 5.965 30 40 GKEB CSc1ccc(/C=C/C(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1 5524162 VJPFKSZWOWLYJB-OVCLIPMQSA-N 387.504 5.865 30 40 GKEB Oc1cc(/N=N/c2ccccc2)ccc1/C=N/N=C1/C[C@@H](c2ccccc2)N=N1 6530072 GKBOKPIRBDNFBV-ZQHMUTGJSA-N 382.427 6.137 30 40 GKEB COc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)cc1 8372968 TXKRHYXEKJPFIT-AFUMVMLFSA-N 395.886 5.995 30 40 GKEB CC(C)c1ccc(/N=c2\sc3ccccc3n2Cc2ccc(C#N)cc2)cc1 12659559 LKLKRTUYCHJKHM-LCUIJRPUSA-N 383.520 5.979 30 40 GKEB Cc1ccccc1N1C(=S)N/C(=N\c2c(C)cccc2C)C12CCCCC2 13739485 JSHARKBNEVPKHP-UHFFFAOYSA-N 377.557 5.739 30 40 GKEB CCCN1C(=O)/C(=C\c2cc(Cl)ccc2OC)S/C1=N\c1ccccc1 16185333 AZDMXYVIMIMKPS-PVTBXJRFSA-N 386.904 5.363 30 40 GKEB O=C1CCCC2=C1[C@@H](c1cccc(Cl)c1Cl)c1cc3c(cc1N2)OCO3 18196708 MKYMRBSWXYCUIJ-SFHVURJKSA-N 388.250 5.287 30 40 GKEB CCOc1ccc([C@@H]2C3=C(CCCC3=O)Nc3c2c(C)nn3-c2ccccc2)cc1 18197126 OWNGBWRTWNAIDB-QHCPKHFHSA-N 399.494 5.144 30 40 GKEB C=CCn1c(SCc2ccc(C)cc2)nnc1-c1cc2cc(Cl)ccc2o1 33693177 KBWHQOYYDHHXHZ-UHFFFAOYSA-N 395.915 6.131 30 40 GKEB Cc1c(Cl)cccc1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 97944217 IUANTEMRJKERSQ-UHFFFAOYSA-N 387.629 5.055 30 40 GKEB COc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1C#N 225752428 WXRFPGZVHJOWQF-UHFFFAOYSA-N 389.282 5.324 30 40 GKEB C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@@H]3[C@H]1CC[C@@H]2OC(=O)c1ccccc1 263603840 NZGKYNGOBSDZNY-ROHWNPGJSA-N 378.512 5.354 30 40 GKEB COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2cccc3ccccc23)S1 408858782 LUSQWEZBMNBWMC-ODLFYWEKSA-N 394.883 5.393 30 40 GKEB Fc1ccccc1COc1ccc(/C=N/c2ccccc2)cc1Br 409203482 WOCJJOMUOAESFZ-YDZHTSKRSA-N 384.248 5.918 30 40 GKEB C[C@@H]1Cc2c(sc(NC(=O)c3cscc3C(F)(F)F)c2C#N)[C@@H](C)C1 598837375 DBENFMKBTUUTNH-IUCAKERBSA-N 384.448 5.638 30 40 GKEB CC1(C)CC(=O)C2=C(C1)[C@@H](c1ccccc1[N+](=O)[O-])Nc1ccc3ccccc3c12 647108 TZEJTZZOOWKSJI-XMMPIXPASA-N 398.462 6.058 30 40 GKEB O=C1c2ccccc2N[C@@H](c2cccc(Cl)c2)N1/N=C/c1cccc(Cl)c1 2098458 ZAVZPRHISGHJFE-FINLKQIMSA-N 396.277 5.594 30 40 GKEB C=C(C)Cn1c([C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)nc2ccccc21 4033570 DTURNQQIQQAKIY-INIZCTEOSA-N 379.891 5.095 30 40 GKEB CCC[C@@H](C)Sc1nc(-c2cccs2)cc(-c2ccc(Cl)cc2)c1C#N 4620364 RWQAAIUQOMXTBN-CQSZACIVSA-N 398.984 7.283 30 40 GKEB Cc1ccc(C2=C/C(=C\c3ccc(OCc4ccccc4C#N)cc3)C(=O)O2)cc1 4739000 XXCNUTGGSUMHAM-OEAKJJBVSA-N 393.442 5.427 30 40 GKEB C/C(=C/C(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 5742751 FVDBJBSKAOZMFT-KHPPLWFESA-N 380.079 5.498 30 40 GKEB CCOc1ccc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1 5953572 DPUPGHDTKQMLED-MTDXEUNCSA-N 392.458 6.635 30 40 GKEB CC/N=c1\scc(-c2cc(C)c(C)cc2C)n1/N=C/c1c[nH]c2ccccc12 6378026 LIOLFSLDVXNCGF-CAWRTKDPSA-N 388.540 5.426 30 40 GKEB CCOc1cc(/C=N/c2cccc(C)c2C)ccc1OCc1ccccc1Cl 6961583 GEWAJZPRIQWOLG-CVKSISIWSA-N 393.914 6.685 30 40 GKEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2cccs2)cc1 20745457 JKWPECDRTOODDB-SZNDQCEHSA-N 392.480 5.011 30 40 GKEB O=[N+]([O-])c1cc(Br)c(O)c(/C=N\c2ccc(Cl)c(Cl)c2)c1 96544463 IXPVPSQGKFDLQE-FMQZQXMHSA-N 390.020 5.120 30 40 GKEB CN1/C(=C\C(=O)CC(c2ccccc2)c2ccccc2)C(C)(C)c2ccccc21 100990491 SLMIZFKHJOWWOD-XHPQRKPJSA-N 381.519 6.089 30 40 GKEB CCCC(C)(C)[C@H]1C[C@H](C)CC/C1=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 101673107 VYVCOPUKBOFTDG-HMFAPSLPSA-N 376.457 5.533 30 40 GKEB O=C(COc1ccc(/C=N\c2ccccc2F)cc1)Nc1cccc(Cl)c1 408809227 RCCDURMXCWYTHM-CFRMEGHHSA-N 382.822 5.247 30 40 GKEB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N\c2ccc(C(C)(C)C)cc2)c1C 408914993 SVYSEMDBXKVCBG-YSMPRRRNSA-N 388.511 6.149 30 40 GKEB O=C(Nc1ccccc1)c1c(/N=C/c2ccccc2)sc2c1CCCCCC2 408971886 LKXNOXFPLJKIGS-KOEQRZSOSA-N 388.536 6.410 30 40 GKEB CC(C)CCOc1ccc(C(=O)Nc2sc3c(c2C#N)C[C@@H](C)CC3)cc1 2271711 PXLLGOITKWYOIR-HNNXBMFYSA-N 382.529 5.422 30 40 GKEB COc1ccc(CCC=O)cc1Oc1ccc(CSc2ccccc2)cc1 2574925 VUENWPYGIPZFJA-UHFFFAOYSA-N 378.493 5.911 30 40 GKEB COc1ccc(OCc2ccccc2)c(C(=O)/C=C/c2cc3ccccc3o2)c1 4737333 QOTAKEUFZRZGQM-ACCUITESSA-N 384.431 5.917 30 40 GKEB COc1ccc(C(=O)O/N=C/c2ccc(Sc3ccc(Cl)cc3)nc2)cc1 5359410 GQGKASLRILDLQI-YDZHTSKRSA-N 398.871 5.086 30 40 GKEB CC(C)(O)C#CC[C@H]1C[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 5379431 FSEWYBKECRKVOT-BPTDKIDVSA-N 396.956 5.003 30 40 GKEB Fc1cccc(CS/C(S)=N/c2ccc(Cl)c(C(F)(F)F)c2)c1 6511669 MLNSQWIOZMLIOD-UHFFFAOYSA-N 379.831 6.349 30 40 GKEB COc1cc(/C=N/c2cccc(Cl)c2C)ccc1OCc1cccc(F)c1 8277952 AWAOFUDBFIYOSE-DHRITJCHSA-N 383.850 6.126 30 40 GKEB Cc1ccc(C)c(/N=C/c2c(OCc3cccc(Cl)c3)ccc3ccccc23)c1 8367798 NXPDNFGNYLTSHH-LQKURTRISA-N 399.921 7.440 30 40 GKEB C/C(=C\C(=O)c1ccc(Cl)cc1)Nc1ccc(Br)cc1Cl 32194181 UHMILHDQTRPREQ-CSKARUKUSA-N 385.088 5.955 30 40 GKEB CC(C)C(=O)/C(=C/c1ccccc1)C(=O)Nc1ccccc1OCc1ccccc1 38600096 RRNXUUBLQLMXRU-XLNRJJMWSA-N 399.490 5.513 30 40 GKEB in-vitro Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2c(F)cccc2Cl)S1 59224453 JOFAMISCBLZXKL-NVNXTCNLSA-N 381.259 5.333 30 40 GKEB CCCCCCCCc1ccc(OC(=O)c2ccc(Br)cc2)cc1 97998429 FKNGFUKQJFFCFT-UHFFFAOYSA-N 389.333 6.571 30 40 GKEB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@]4(C)[C@H]3CC[C@@]21C 118921017 QNTASHOAVRSLMD-XJHJDHAPSA-N 399.663 7.858 30 40 GKEB CCCCCCCCOC(=O)C[N+](C)(C)CCO[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C 217464902 KTMOLWBNBDAXBS-YZUZCNPQSA-N 396.636 5.198 30 40 GKEB COc1ccc(C/N=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 408776104 LSKBVRBHQBIXGU-UCQKPKSFSA-N 397.316 5.484 30 40 GKEB CCOc1ccc(/C=C2\SC(=Nc3cc(C)cc(C)c3)NC2=O)cc1Cl 408778224 RFOUXNNMEAPXQL-WQRHYEAKSA-N 386.904 5.247 30 40 GKEB O=C1/C(=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)Cc2ccccc21 409368730 KAVMWBKJJRTVDB-VCHYOVAHSA-N 395.285 6.395 30 40 GKEB Cc1c(C=C2C(=O)c3ccccc3C2=O)c2ccccc2n1Cc1ccc(F)cc1 409392004 MRMRTCSUJQIFJZ-UHFFFAOYSA-N 395.433 5.600 30 40 GKEB N#Cc1c(NC(=O)C2c3ccccc3Oc3ccccc32)sc2c1CCCC2 2747226 JSBJGOQJSNOIGJ-UHFFFAOYSA-N 386.476 5.375 30 40 GKEB COc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3c2ccc2ccccc32)ccc1O 4710555 BATCJNQHQPKXCX-QHCPKHFHSA-N 399.490 5.755 30 40 GKEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(OC)c2)C[C@H]1c1ccc(C(C)C)cc1 4919090 PFHATXYHMZUSRK-UPVQGACJSA-N 392.495 5.138 30 40 GKEB N#Cc1c(-c2ccccc2)cc(-c2ccc(Cl)cc2)nc1SC[C@H]1CO1 5900035 WRTAGFKFVXDIJD-QGZVFWFLSA-N 378.884 5.432 30 40 GKEB CCc1ccc(/N=C/c2ccc(OCc3cccc(Cl)c3)c(OC)c2)cc1 8084809 RRLDFYWWMOLKFN-MFKUBSTISA-N 379.887 6.241 30 40 GKEB Cc1ccccc1CSc1nc2c(c(-c3cccs3)c1C#N)CN(C)CC2 20230569 RBMKNVUEZVPVLZ-UHFFFAOYSA-N 391.565 5.270 30 40 GKEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2cccs2)cc1 20745456 JKWPECDRTOODDB-QKKBWIMNSA-N 392.480 5.011 30 40 GKEB CCCCCCCCOc1ccc(C(C)=O)cc1OCCCCCCCC 95731011 RCCOBAWJEWCPAR-UHFFFAOYSA-N 376.581 7.368 30 40 GKEB C=CCN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(SC)cc1 224991623 GNINBZQQAFSJQB-UHFFFAOYSA-N 388.341 5.097 30 40 GKEB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)c(C#N)c1 225754739 BYTCFMYMJUMFSF-KRWDZBQOSA-N 392.499 5.195 30 40 GKEB Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 409218131 HKJFIZZOZSXJNR-YDZHTSKRSA-N 380.831 5.886 30 40 GKEB C(=N/N=c1/[nH]c2ccccc2s1)\c1cccn1Cc1cccc2ccccc12 1268773 GQQQNOFNEMKQQG-BUVRLJJBSA-N 382.492 5.167 30 40 GKEB CCn1c2ccccc2c2cc(/C=N/c3ccc(C)c(Br)c3)ccc21 3181643 VIQDZFPEDXMDSS-ZVHZXABRSA-N 391.312 6.636 30 40 GKEB O=C(Cc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1 4118315 NFLHQYBEPCYDDH-SFQUDFHCSA-N 392.454 5.884 30 40 GKEB Clc1cc(Cl)c2nc(-c3ccc(Cl)c(Cl)c3)cc([C@H]3CO3)c2c1 4824101 NUWLCHYCYQISKD-MRXNPFEDSA-N 385.077 6.587 30 40 GKEB CC(C)OC(=O)Nc1ccccc1/N=C1\CCC\C1=C\c1ccc(Cl)cc1 6358379 DNNOAWORQSPQQA-HVHRLSKISA-N 382.891 6.637 30 40 GKEB COc1cc(/C=N/c2ccc(C)cc2C)ccc1OCc1ccccc1Cl 8368711 BERZLWPKRJEPLI-AFUMVMLFSA-N 379.887 6.295 30 40 GKEB Cc1ccc(OCC(=O)Nc2ccc(/C=C/C(=O)c3cccs3)cc2)c(C)c1 9355173 JEYMBWRNFBQXDT-DHZHZOJOSA-N 391.492 5.279 30 40 GKEB Cc1cc(/C=N\c2ccc(Cl)c(C(=O)O)c2)c(C)n1-c1cccc(Cl)c1 16268539 UIPFJMJQEYXSDZ-KSEXSDGBSA-N 387.266 5.850 30 40 GKEB CCCCCCCCCOc1ccc(/N=C/c2ccc(C(=O)O)cc2)cc1F 59663930 IOCHBXJRRZLODO-KOEQRZSOSA-N 385.479 6.404 30 40 GKEB Fc1ccc(N2C(=S)SC(=N/c3ccccc3)/C2=N/c2ccccc2)cc1 102817875 BHEHJBMUWWKGNG-KDMDJZHMSA-N 391.496 6.124 30 40 GKEB Cc1oc(/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c(C#N)c1C 408590267 OLTBVYDIDGOYDV-YSURURNPSA-N 386.282 6.233 30 40 GKEB Cc1cc(C)c([C@@H]2Sc3ccccc3NC3=C2C(=O)c2ccccc23)c(C)c1 2225889 IRYJNMBNWJTBOD-VWLOTQADSA-N 383.516 6.478 30 40 GKEB Cc1ccc(-c2nc3ncccc3o2)cc1/N=C/c1c(O)ccc2ccccc12 6390883 UKRWCAJMHOYMSE-VULFUBBASA-N 379.419 5.808 30 40 GKEB Cc1ccc(C)c(/N=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)c1 8367796 VWDDPMHRJIBHRY-LQKURTRISA-N 383.466 6.925 30 40 GKEB CN(CCC(=O)/C(=C\c1ccc(Cl)cc1)c1ccccc1)Cc1ccccc1 17375710 VMCRRXOQEAHYJD-MOHJPFBDSA-N 389.926 5.972 30 40 GKEB [O-]/[N+](=C\c1ccc(Cl)cc1)c1ccc(-c2nc(-c3ccccc3)no2)cc1 80343832 VEMHYWDHEMGPKB-QFEZKATASA-N 375.815 5.318 30 40 GKEB O=C1/C(=C/c2cccs2)S/C(=N\c2ccccc2F)N1C1CCCCC1 111903160 BVYOPGUUKUJAEX-GTFONSFASA-N 386.517 5.824 30 40 GKEB CC(C)c1ccc(N/N=C2\C(=O)N(C3CSC3)c3ccc(C(C)C)cc32)cc1 223728959 KNGRHJIKXJVOCB-LVWGJNHUSA-N 393.556 5.212 30 40 GKEB CCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)cc1C#N 225758860 WWTAHYKNWSAGQU-UHFFFAOYSA-N 376.500 5.496 30 40 GKEB CCOc1ccccc1/C=C1/S/C(=N\c2cc(C)ccc2C)N(CC)C1=O 408911303 MUNWYTFVGSXNIF-QNQNADBQSA-N 380.513 5.326 30 40 GKEB Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2cccc(F)c2)c(Cl)c1 409202320 RNMJIKAXPXNVAD-BRJLIKDPSA-N 388.269 6.771 30 40 GKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)C(Cl)(Cl)Cl)c2C#N)C1 695801 ZNKOYPSJHONJJY-QMMMGPOBSA-N 379.740 5.079 30 40 GKEB Cc1ccc2oc(-c3cccc(/N=C/c4cc(Cl)ccc4O)c3C)nc2c1 793653 FQERCGASXDKUCG-WYMPLXKRSA-N 376.843 6.221 30 40 GKEB C=C1CC[C@@H](O)C/C1=C\C=C1/CCC[C@]2(C)[C@H]([C@@H](C)/C=C/[C@@H](C)C(C)C)CC[C@@H]12 4492866 MECHNRXZTMCUDQ-FLWSHLTDSA-N 396.659 7.641 30 40 GKEB Cc1cc(/N=C/c2c(O)ccc3ccccc23)ccc1NC(=O)c1ccccc1 5540839 BOZXAGHXEHLQFU-WGOQTCKBSA-N 380.447 5.857 30 40 GKEB C=CCOc1ccc(/C=C2\S/C(=N\c3ccc4ccccc4c3)NC2=O)cc1 5551328 DGHCDDKEFMPVII-STZFKDTASA-N 386.476 5.296 30 40 GKEB OC1=N/C(=N\c2ccccc2Br)S/C1=C\c1c[nH]c2ccccc12 6932027 MUXWUAZAZVKTSL-SXGWCWSVSA-N 398.285 5.662 30 40 GKEB Cc1c(Cl)cccc1/N=C/c1c(OCc2ccccc2)ccc2ccccc12 8277712 HNEPBSQILHJCPS-JVWAILMASA-N 385.894 7.131 30 40 GKEB Cc1c(Cl)cccc1/N=C/c1ccc(OCc2cccc(F)c2)c(Cl)c1 8277903 PFZNGZBWXPYIML-BRJLIKDPSA-N 388.269 6.771 30 40 GKEB O=C1/C(=C/c2cccs2)Oc2cc(OCc3c(F)cccc3Cl)ccc21 8990601 IAMLZWKDRHBSJX-GRSHGNNSSA-N 386.831 5.736 30 40 GKEB O=[N+]([O-])c1cc(Cc2ccccc2Cl)cc(/C=N/c2ccc(F)cc2)c1O 16450161 LPCZUJPRWNQMTQ-FSJBWODESA-N 384.794 5.434 30 40 GKEB CC(C)(C)C(=O)/C=C1\SCC(=O)N1Cc1sc2ccccc2c1Cl 32769124 SHLPDEFLFBTQMG-PXNMLYILSA-N 379.934 5.087 30 40 GKEB CCCCCCCCc1cnc(-c2ccc(OCCCCCCC)cc2)nc1 97949655 URHKQYKCNSLHHG-UHFFFAOYSA-N 382.592 7.396 30 40 GKEB CCCCCCCCOC(=O)C[N+](C)(C)CCO[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C 100724135 KTMOLWBNBDAXBS-LGVFNWMJSA-N 396.636 5.198 30 40 GKEB C=C1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1 118935223 OMXMJJANSZPKPZ-JQLPBIJHSA-N 384.692 8.664 30 40 GKEB FC(F)(F)C(F)(F)CCCCCCCCCCCC(F)(F)C(F)(F)F 169795162 FWLNGVWFMLKSTA-UHFFFAOYSA-N 392.321 7.673 30 40 GKEB Cc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(C4CCCCC4)c3C)S2)cc1 408741489 QAVQIMVIBPJNAB-STZFKDTASA-N 393.556 5.810 30 40 GKEB N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O 409170106 SXJGQTCWOZMORR-FRKPEAEDSA-N 389.263 5.102 30 40 GKEB COc1ccc(/C=N/c2sc3c(c2C#N)CCCC3)cc1Br 1231440 QRFCCZCXEAEORV-KEBDBYFISA-N 375.291 5.020 30 40 GKEB N#Cc1cc(Oc2cccc3ccccc23)c(-n2nnc3ccccc32)cc1C#N 1443153 DYHBWHLBEWOHKR-UHFFFAOYSA-N 387.402 5.109 30 40 GKEB O=C(ON=C1c2ccccc2-c2ccccc21)c1ccccc1Br 2057042 ZDJXKXHOCPCJOJ-UHFFFAOYSA-N 378.225 5.039 30 40 GKEB CC[C@H](C)c1ccc([C@H]2Sc3ccccc3NC3=C2C(=O)c2ccccc23)cc1 2202848 HOVPQAQUNRCPIN-YHAMSUFESA-N 397.543 7.067 30 40 GKEB Cc1ccccc1-c1nc2cc(/N=C/c3ccc(Cl)c(Cl)c3)ccc2o1 3113859 SHEJLPRISCBZQE-WYMPLXKRSA-N 381.262 6.861 30 40 GKEB CCCCCCCCOc1ccc(-c2ccc(-c3ncc(O)cn3)cc2)cc1 3215854 LVYUGWHRHISGKJ-UHFFFAOYSA-N 376.500 6.256 30 40 GKEB C/C(=C\c1ccccc1)[C@@H]1Nc2ccc3ccccc3c2C2=C1C(=O)CC(C)(C)C2 4475013 QRYIBCSUDTYKPZ-QSRNJPNHSA-N 393.530 6.880 30 40 GKEB O=C(/C=C/c1ccc(Br)cc1)c1cc2cc(Cl)ccc2oc1=O 4598225 JXPYEOBCRZDEDQ-XVNBXDOJSA-N 389.632 5.105 30 40 GKEB CC/N=c1\scc(-c2ccc(F)cc2)n1/N=C/c1ccc(C(F)(F)F)cc1 12603358 LMTFYQGNZRIKRT-GCHYDXMJSA-N 393.409 5.177 30 40 GKEB O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1/N=C/c1ccc(Cl)cc1 13940640 WDEDNBRHAZYXPU-ZMSCOZPXSA-N 393.320 5.229 30 40 GKEB O=C1c2ccccc2-c2cc(Cl)c(/N=C/c3ccc(Cl)cc3Cl)cc21 17326623 VWEWJAOPROYKAY-YSURURNPSA-N 386.665 6.609 30 40 GKEB C=CCc1ccccc1OCc1ccc(C(=O)Nc2cc(C)ccc2OC)o1 28236711 JFOLCZLTTVIDBP-UHFFFAOYSA-N 377.440 5.156 30 40 GKEB CCCCCCCCCCCCNC(=O)C(=O)Nc1ccc(CCCC)cc1 98001491 QIXBYAAQALKTEU-UHFFFAOYSA-N 388.596 6.005 30 40 GKEB biogenic CCN1c2cc(C)c(/C=N\Nc3ccc(C(=O)O)cc3)cc2[C@@H](C)CC1(C)C 223576074 JXVNSACVOUZEET-SGMWPGOQSA-N 379.504 5.251 30 40 GKEB Cc1cccc(/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)c1C 409202451 QVAQTJZMRJQUJI-ZMOGYAJESA-N 394.858 6.195 30 40 GKEB Cc1cccc(NC(=O)COc2ccc3ccccc3c2/C=N/c2ccccc2)c1 409215972 GZEWODKLKOHEJS-WPWMEQJKSA-N 394.474 5.916 30 40 GKEB C=CCOc1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc1 1738739 FHPYPXDIJOGHIZ-BOPFTXTBSA-N 387.913 5.311 30 40 GKEB Cc1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1Br 2810931 BKBYOLXWTWTRLT-OEAKJJBVSA-N 380.285 6.087 30 40 GKEB CCCCCCCOc1ccc(OC(=O)c2cccc(C)c2)c(C#N)c1C#N 3064764 ABXVWYWVAVVDFD-UHFFFAOYSA-N 376.456 5.307 30 40 GKEB COc1cc(Br)cc(/C=N/C(c2ccccc2)c2ccccc2)c1O 5234981 OWHJZOREBCXOGQ-OEAKJJBVSA-N 396.284 5.372 30 40 GKEB COc1ccc2ccccc2c1/C=N/Nc1ncc(C(F)(F)F)cc1Cl 5446412 GBSSPMCXJJFPSG-YSURURNPSA-N 379.769 5.362 30 40 GKEB Cc1ccc2nc(-c3ccc(/N=C/c4ccc(Cl)c(Cl)c4)cc3)sc2c1 18190538 FKQNYALAUMOZNB-WYMPLXKRSA-N 397.330 7.329 30 40 GKEB Clc1ccc2nc(N/N=C\c3ccc(Cl)o3)nc(-c3ccccc3)c2c1 33334628 CHAALQARKBBWSV-JJFYIABZSA-N 383.238 5.643 30 40 GKEB CCCCCCCCOC(=O)C[N+](C)(C)CCO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 100724131 KTMOLWBNBDAXBS-PQNGQFLHSA-N 396.636 5.198 30 40 GKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@]45O[C@@H]4CCC[C@]5(C)[C@H]3CC[C@@]21C 123221157 YSHCPAAHOVSKSB-NBGJRJMZSA-N 386.664 7.629 30 40 GKEB Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2c(C)n(C)c3ccccc23)S1 408859856 UGYCGZBBGBJAJL-ODLFYWEKSA-N 395.915 5.340 30 40 GKEB Ic1ccc(/C=N/N(c2ccccc2)c2ccccc2)o1 408994093 FQNAALUOAXONMS-CPNJWEJPSA-N 388.208 5.056 30 40 GKEB O=C1ON=C(c2ccccc2)/C1=C/c1ccccc1OCc1cccc(Cl)c1 409088723 XPOSGCXCLUMFHO-ZHZULCJRSA-N 389.838 5.264 30 40 GKEB FC(F)(F)C(F)(F)C(F)(F)CCCOc1ccc(Br)cc1 1565662374 BOFXUAOIKLOBSD-UHFFFAOYSA-N 383.101 5.441 30 40 GKEB N#Cc1ccc(-c2cccs2)nc1SCc1ccc(Cl)c(Cl)c1 705044 VDSDUKXJQHIHKO-UHFFFAOYSA-N 377.321 6.281 30 40 GKEB Cc1ccc([C@@H](C#N)c2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)cc1 1389499 YGKJCHLQHUILMM-CYBMUJFWSA-N 395.306 5.631 30 40 GKEB C[C@@H]1C[C@@H](N(CCC#N)C(=S)Nc2cccc3ccccc23)CC(C)(C)C1 1735795 RUODPUXJTGTBHK-IEBWSBKVSA-N 379.573 5.967 30 40 GKEB Cc1cc(C)c(/N=C/c2cc(Br)c(O)c(Br)c2)c(C)c1 2388193 ZVVPXFJLJMYWCZ-UFWORHAWSA-N 397.110 5.593 30 40 GKEB CCCCCCCCCNC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12 2736737 MDERXJPGEPOJOI-UHFFFAOYSA-N 388.555 6.691 30 40 GKEB Cc1c(/N=C/c2c(O)ccc3ccccc23)cccc1-c1nc2ccccc2o1 4603977 NXUWKQPMOSHKSE-CVKSISIWSA-N 378.431 6.413 30 40 GKEB COc1ccc(/C=C\C(=O)c2cccc(C(=O)/C=C\c3ccc(OC)cc3)c2)cc1 4701170 IPABLGMAPCTPSM-APGQMXJTSA-N 398.458 5.496 30 40 GKEB Cc1cc(C)c(C(=O)/C=C/c2ccccc2)c(C)c1C(=O)/C=C\c1ccccc1 4975036 BQIHMHIITNOAKH-QUDUTFMFSA-N 380.487 6.404 30 40 GKEB COc1ccc(C(=O)/C=C/c2ccccc2OCc2cccc3ccccc23)cc1 7939529 KOMRYITZHMPUBV-OBGWFSINSA-N 394.470 6.324 30 40 GKEB Cc1cccc(/N=C2/NC(=O)/C(=C/c3ccc(Cl)cc3Cl)S2)c1C 8415176 ALWIPZDFLAPCHM-PXNMLYILSA-N 377.296 5.502 30 40 GKEB C=C(C)COc1ccc(-c2[nH]ncc2-c2ccc(Br)cc2)c(O)c1 13121705 UKIPBKJEMUBHFG-UHFFFAOYSA-N 385.261 5.167 30 40 GKEB Cc1ccc(OCc2ccc(-c3nc(C#N)c(NCc4ccco4)o3)o2)cc1C 33027054 VNELBHRQQOOKRG-UHFFFAOYSA-N 389.411 5.207 30 40 GKEB Cc1c(/C=N/N=C2/CC[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]23C)cnn1C 98087413 FTSQLIABFSZKPD-GJKXOEANSA-N 394.607 5.936 30 40 GKEB C=CC/N=c1/scc(-c2ccc(OC(F)F)cc2)n1/N=C/C1CCCCC1 103371430 BFIPDTLNVXZDFI-UOWSBTSXSA-N 391.487 5.319 30 40 GKEB CCCCCCCC/C=C/CCCCCCCC(=O)N1CC[N+](C)(C)CC1 104119583 MRMFXYUQQIAQJY-VAWYXSNFSA-N 379.653 5.943 30 40 GKEB Cc1oc(/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c(C#N)c1C 408589042 KKXLTRWVAHVNCC-YSURURNPSA-N 386.282 6.233 30 40 GKEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCC(C)C)cc3)S2)cc1 408765308 VHWJZRGIQGORHN-MOSHPQCFSA-N 380.513 5.175 30 40 GKEB CCOc1cccc(/C=C2/S/C(=N\c3ccccc3CC)N(CC)C2=O)c1 408912846 LYVLQKDNTIXXTC-OCIPIQTLSA-N 380.513 5.272 30 40 GKEB CCN1C(=O)/C(=C\c2c(C)[nH]c3ccccc23)S/C1=N/c1ccc(F)cc1 409225768 KYAFWWLQIYCTLV-LVKIEVKJSA-N 379.460 5.239 30 40 GKEB Cc1ccc(Sc2ccc(/C=N/c3cccc(Br)c3)cc2)cc1 409228342 XPGWOHFDZVNYIR-HYARGMPZSA-N 382.326 6.659 30 40 GKEB CC(C)Oc1ccccc1C=Nn1c(C2CCCCC2)nc2ccccc2c1=O 409278487 FETBFENFYHTWGX-UHFFFAOYSA-N 389.499 5.114 30 40 GKEB O=[N+]([O-])c1ccc(/C=N/Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)o1 4591919 KXLZHIKJAHZCDW-FYJGNVAPSA-N 390.424 5.424 30 40 GKEB C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C/[C@@H](C)C(C)C 5294783 MECHNRXZTMCUDQ-VWMDTXJCSA-N 396.659 7.641 30 40 GKEB Clc1ccc2c(NN=C(Cc3ccccc3)Cc3ccccc3)ccnc2c1 5572050 JJKIILSCVMZRBV-UHFFFAOYSA-N 385.898 6.142 30 40 GKEB CC(C)(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 5854085 WBCWZXZNXHVKSN-MFOYZWKCSA-N 391.250 5.561 30 40 GKEB CC(/C=C1\S/C(=N/c2ccccc2Br)N=C1O)=C\c1ccccc1 6261734 IFZGFQFNJFOUNU-YMGXUNRSSA-N 399.313 6.127 30 40 GKEB CCOc1cc(/C=N/c2ccc(CC)cc2)cc(Br)c1OCC 8084237 PJRGDAZMRNVSLH-FYJGNVAPSA-N 376.294 5.560 30 40 GKEB Cc1c(C(=O)O)cccc1-c1ccc(/C=N/Nc2nc3ccccc3s2)o1 15008739 WRYUQDYTDHZOQS-SRZZPIQSSA-N 377.425 5.009 30 40 GKEB C=CCn1c(-c2ccccc2)cnc1SCC(=O)Nc1cccc(Cl)c1 44085670 NTYZSZUFHSXQGR-UHFFFAOYSA-N 383.904 5.120 30 40 GKEB O=C1/C(=C/c2ccccc2Cl)S/C(=N/c2ccccc2)N1c1ccccc1 100389530 WFJWVZZIJGJNSK-PRMAFZJDSA-N 390.895 6.149 30 40 GKEB Oc1ccccc1/C=N/c1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1 100501269 JHXXJFKAQKMUQJ-FOKLQQMPSA-N 383.234 6.258 30 40 GKEB C=CCOC(=O)c1ccc2oc(-c3cc(Cl)c(OC)c(Cl)c3)nc2c1 226317667 WRNWTMIPIXQEJC-UHFFFAOYSA-N 378.211 5.153 30 40 GKEB C[C@@H]1C/C(=C/c2ccccc2)c2nc3ccccc3c(C(=O)O[C@H](C)C#N)c2C1 254700938 JEXWBLFHMKTLOH-HMVXKNIBSA-N 382.463 5.427 30 40 GKEB Cc1ccc(/N=C\c2cccn2-c2ccc(Br)cc2)cc1[N+](=O)[O-] 408852958 XOEUZSLHYXZHPV-NDENLUEZSA-N 384.233 5.207 30 40 GKEB CCCCN1C(=O)/C(=C\c2ccccc2OC)S/C1=N\c1ccc(C)cc1 408916196 VXYAFWYFOITQAE-OCIPIQTLSA-N 380.513 5.408 30 40 GKEB CC[C@@H](C)c1ccc(/N=C/c2ccccc2OCc2ccc(C(=O)O)cc2)cc1 408959630 CGOSBWRNQGVEMF-CVLFLDGLSA-N 387.479 6.228 30 40 GKEB C=C[C@@H](c1ccccc1)N(Sc1ccccc1)N1C(=O)c2ccccc2C1=O 704352 UHFCQLTVBNPPMG-NRFANRHFSA-N 386.476 5.134 30 40 GKEB Oc1ccccc1/C=N/c1ccc(-c2ccc(/N=C/c3ccccc3O)cc2)cc1 2275692 VKLNOWFMZZJWHF-XUIWWLCJSA-N 392.458 6.266 30 40 GKEB O=C(/C=C1\Sc2ccccc2N1Cc1ccccc1)c1ccc(Cl)cc1 5006103 HMEMPUXLZTWDMN-HMAPJEAMSA-N 377.896 6.177 30 40 GKEB FC(F)(F)c1ccccc1-c1ccc(/C=N/NC(=S)Nc2ccccc2)o1 7095447 BWZXHBLXIFQCJU-FSJBWODESA-N 389.402 5.286 30 40 GKEB Cc1cc(/C=N/NCc2ccccc2Cl)c(C)n1-c1cccc2ccccc12 8811667 YPRGDXJCIQKJTM-JVWAILMASA-N 387.914 6.024 30 40 GKEB CCc1cccc(CC)c1/N=C(\S)N1CCn2cccc2[C@@H]1c1ccncc1 13543272 NNDPKTKIDYCHIA-QFIPXVFZSA-N 390.556 5.030 30 40 GKEB Brc1ccc(/C=N/c2ccc(CSc3ccccc3)cc2)cc1 20242218 KITMIZPYHXUJFW-HYARGMPZSA-N 382.326 6.492 30 40 GKEB O=C1N/C(=N/c2ccccc2)S/C1=C/c1ccccc1OCc1ccccc1 33718741 YFWKEGHAVWZEJE-RCCKNPSSSA-N 386.476 5.157 30 40 GKEB Clc1ccc(/N=N/C(=N/Nc2nc3ccccc3s2)c2ccccc2)cc1 39404122 VTSWOWXBFGXRDX-VNORZSCYSA-N 391.887 6.507 30 40 GKEB CC(=O)C1=C(C)OC(C)=C[C@]12Nc1cc(C(C)(C)C)cc(Br)c1O2 40546145 AWPVITASULFTPY-LJQANCHMSA-N 392.293 5.044 30 40 GKEB Cc1cccc(/N=C2\C(=O)N(Cc3cccc4ccccc34)c3ccccc32)c1 59461414 RFNOOLLJHZWUFB-RFBIWTDZSA-N 376.459 5.816 30 40 GKEB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1C/C(=C\c1ccccc1F)C2=O 118916380 OIEOFEFLLYWLLM-DFMMHKFPSA-N 380.547 6.821 30 40 GKEB C=CCc1cc(-c2cc(C(=O)O)c3c(ccc4ccccc43)n2)cc(OC)c1O 1067274 RNLYRLQLFBSOMG-UHFFFAOYSA-N 385.419 5.196 30 40 GKEB O=[N+]([O-])c1cccc(/C=N/c2ccc3oc(-c4cccc5ccccc45)nc3c2)c1 1882875 JOEXEXXPYPDROV-MFKUBSTISA-N 393.402 6.307 30 40 GKEB N#CCCN(C(=O)CSc1cc(Cl)ccc1Cl)c1ccc(F)cc1 2626180 WRBZZERGWLEUHV-UHFFFAOYSA-N 383.275 5.171 30 40 GKEB CN(CC#C[C@@]1(C)CC[C@@H]2[C@H](O1)c1ccccc1OC2(C)C)Cc1ccccc1 4027754 VSJACZVSLVSJHV-NOOIUNMQSA-N 389.539 5.219 30 40 GKEB CC(C)(C)Sc1ccccc1/C=C/C(=O)c1ccc(Br)cc1 5187221 NFSDCSHQVOTHSS-JLHYYAGUSA-N 375.331 6.236 30 40 GKEB C(=C/c1ccco1)\C=N\Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 5741132 KTNRXDLOEQBBNV-VMDSVTINSA-N 397.442 5.063 30 40 GKEB Cc1ccc(O)c(/C=N/c2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)c1 5961205 UNGBNEYPFWFHDU-AFUMVMLFSA-N 384.435 5.758 30 40 GKEB O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1cc(Cl)cc(Cl)c1O 6222280 CGKPKBAUPWTMTI-AWNIVKPZSA-N 399.686 5.244 30 40 GKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(C)cc2)cc1 6813175 RAISSUUIJUCFNM-JOCHJYFZSA-N 383.447 5.086 30 40 GKEB Cc1ccc(COc2c(Cl)cc(/C=N/c3ccc(C)cc3)cc2Cl)cc1 8372962 IIBJDVYNEVXDCH-DHRITJCHSA-N 384.306 6.940 30 40 GKEB COc1cccc(C(=O)/C=C/Nc2ccc(Oc3ccccc3OC)cc2)c1 13896447 MHJDEKNJJSBMRZ-CCEZHUSRSA-N 375.424 5.305 30 40 GKEB Cc1ccc(CN2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)cc1 15826367 HKWQLVCJUOLILE-RUZDIDTESA-N 384.479 5.769 30 40 GKEB CCON(/C=N\c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 17109851 MMNXZCHXTUHOAK-UKWGHVSLSA-N 378.086 6.418 30 40 GKEB C=CCN(C(=O)c1oc2c(c1C)C(=O)CCC2)c1nc(-c2ccccc2)cs1 40129359 GHEBAAMQOBSEGW-UHFFFAOYSA-N 392.480 5.063 30 40 GKEB CN(C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)c1cccc(C#N)c1 58006132 NUAKYURISOEPJR-UHFFFAOYSA-N 397.453 5.441 30 40 GKEB COc1cc2c(Nc3cc(OC)c(Cl)cc3Cl)c(C#N)cnc2cc1F 64034408 AXSYHFQBQMKSGH-UHFFFAOYSA-N 392.217 5.313 30 40 GKEB CCCCCCCCNc1cc(C(C)(C)C)nc2c(-c3ccccc3)c(C)nn12 98048088 RYKAPGYXPGHULL-UHFFFAOYSA-N 392.591 6.775 30 40 GKEB CCCCCCCCCCOCCNCCOCCCCCCCCCC 103007237 CSWVPVMRPUKBGP-UHFFFAOYSA-N 385.677 6.891 30 40 GKEB C#CCN1C(=O)S/C(=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C=C3C)C1=O 223518674 WPTUNHJPRBISBG-NDENLUEZSA-N 394.540 5.075 30 40 GKEB CCOC(=O)c1c(/N=C\c2ccccc2OCC(C)C)sc2c1CCCC2 408605695 YNFKZDYLHRSHBV-QRVIBDJDSA-N 385.529 5.589 30 40 GKEB Cc1cc(/C=N\c2ccccc2Cl)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 408851823 AGFMPRJBYUVMEP-KSEXSDGBSA-N 387.266 5.850 30 40 GKEB Cc1cc(/C=N/c2ccccc2S)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 408852942 OOZBFWAQTRABAI-SSDVNMTOSA-N 384.888 5.485 30 40 GKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(OC(C)C)cc2)C(=O)N1CC 408912835 LYNIYKYARUBRLP-NVZLDUMVSA-N 394.540 5.660 30 40 GKEB COC(=O)c1cccc(/N=C\c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)c1 409090746 OGFUSGSUOTUPBQ-YSMPRRRNSA-N 389.495 5.397 30 40 GKEB C/C(=N\OC(=O)NC1CCCCC1)c1sc(-c2ccc(Cl)cc2)nc1C 4085480 GPHBYUBETMMGPJ-YDZHTSKRSA-N 391.924 5.555 30 40 GKEB COc1ccc(N/N=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1 4135155 QXSFGIBHYDJSQH-LHLOQNFPSA-N 384.464 5.312 30 40 GKEB COc1cc([C@H]2Sc3ccccc3NC3=C2C(=O)CC(C)(C)C3)ccc1O 4384818 YLHCSTUCMOQAER-OAQYLSRUSA-N 381.497 5.303 30 40 GKEB COc1ccc(/C(C)=N/Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 5020909 ROHIVGMIGWFGAR-SSDVNMTOSA-N 392.311 5.962 30 40 GKEB Cc1ccc(/N=C/c2cc(Cl)ccc2OS(=O)(=O)c2ccccc2)cc1 8371845 KWBVGVVBSOEQIZ-HYARGMPZSA-N 385.872 5.167 30 40 GKEB CCOC(=S)Sc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N 8654062 JEQSQJLPQLKQIB-UHFFFAOYSA-N 376.506 5.701 30 40 GKEB Cc1ccc(-c2csc(N/N=C/c3ccc(OCc4ccccc4)cc3)n2)cc1 11991763 OZGHMXLRAKTCOF-MFKUBSTISA-N 399.519 6.144 30 40 GKEB C/N=c1\scc(-c2ccc(-c3ccccc3)cc2)n1/N=C/c1ccc(F)cc1 12602621 DKVBRPYOCDRYDZ-KEUFMJMZSA-N 387.483 5.435 30 40 GKEB CC/N=c1\scc(-c2ccc(-c3ccccc3)cc2)n1/N=C/c1ccccn1 12661213 MPOCIWOCVCOTQB-RNXBGYRRSA-N 384.508 5.081 30 40 GKEB CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2CCc1ccccc1 19418928 PQJWLDIGLKVQEN-UHFFFAOYSA-N 377.528 5.125 30 40 GKEB COc1ccc(Oc2ccc(Cl)cc2NC(=O)c2cccc(C#N)c2)cc1 21365063 WBMIIETZBNTVCW-UHFFFAOYSA-N 378.815 5.265 30 40 GKEB CN(c1ccccc1)c1ccc(/C=C2/CCc3ccccc3C2=O)cc1[N+](=O)[O-] 34687679 HRASQXUNRHBBFH-CYVLTUHYSA-N 384.435 5.575 30 40 GKEB CCCCCCCCC/C=C/C[C@H](CC(=O)Nc1ccccc1C#N)C(=O)O 100167829 YNQVMRZQDWYLJW-GNISGLHKSA-N 384.520 5.675 30 40 GKEB C=CCOc1cccc(NC(=S)N[C@H](c2ccccc2)c2ccccc2C)c1 225506901 PGXRDPPXVGTMJP-HSZRJFAPSA-N 388.536 5.636 30 40 GKEB CCCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OCC)cc1C#N 225823704 LUOVFDDQDZLKMA-UHFFFAOYSA-N 388.552 5.543 30 40 GKEB CCC(C)(C)[C@@H]1CCC(=O)/C(=C/Nc2ccc(N=Nc3ccc(C)cc3)cc2)C1 408563617 QGFQSUJAFPXTKE-IIUGNXQPSA-N 389.543 7.512 30 40 GKEB CCOc1cccc(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@H](C)CC)C2=O)c1 408914413 NWWSTHYHXNTOJJ-JJDFSSEZSA-N 394.540 5.796 30 40 GKEB CC1=NOC(=O)/C1=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 409091595 RRGJQLQONLUDPU-NSIKDUERSA-N 396.657 5.542 30 40 GKEB O=[N+]([O-])c1cccnc1N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 409100375 VKNGWPRXGUCVAL-UKWGHVSLSA-N 377.187 5.003 30 40 GKEB CC(C)(C)c1ccc(/N=C\c2cc([N+](=O)[O-])cc(Br)c2O)cc1 409104128 DXEDSRZRQPUMGH-GRSHGNNSSA-N 377.238 5.111 30 40 GKEB Cc1ccc(-c2ccc(/C=N/c3cc(Cl)ccc3C)o2)c(Br)c1 409235339 OUSISJCZEZVSFL-SSDVNMTOSA-N 388.692 6.730 30 40 GKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@@H]2c1ccc([N+](=O)[O-])cc1 820243 HHYWDJNNVCCUOM-QFIPXVFZSA-N 398.462 5.949 30 40 GKEB CC1(C)CC(=O)C2=C(C1)N(c1cccc(Cl)c1)C(=O)C[C@H]2c1ccsc1 1080465 HCGYGQJSGKLHMW-INIZCTEOSA-N 385.916 5.565 30 40 GKEB Cc1ccc(N/N=C(\C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)cc1C 4175535 FXGXAYFKUOMOTI-SZXQPVLSSA-N 388.540 5.965 30 40 GKEB C[C@H]1CCc2c(sc(/N=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)c2C#N)C1 4817119 BCRPBQDUNFMYJZ-WQEJZQBCSA-N 390.468 5.194 30 40 GKEB CCOC(=O)[C@H]1C(=O)C=C(c2cccc(OC)c2)C[C@@H]1c1ccc(C(C)C)cc1 4919100 PFHATXYHMZUSRK-ISKFKSNPSA-N 392.495 5.138 30 40 GKEB C=CCn1c(-c2ccccc2)nn(CN2CCC[C@@H]2c2ccccc2)c1=S 12764843 HKTWBTDEINBHCV-HXUWFJFHSA-N 376.529 5.062 30 40 GKEB O=C(ON=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1cccs1 59461459 PGVVFEQXNMKIIR-UHFFFAOYSA-N 376.264 5.664 30 40 GKEB CCCCCCCCC(CCCCCCCC)(C(=O)OCC)C(=O)OCC 81162346 GUYMNPYVUJHUIV-UHFFFAOYSA-N 384.601 6.600 30 40 GKEB COc1cccc(/C=N/Nc2nc(-c3ccc(C)cc3)c3ccccc3n2)c1OC 97165862 SERQZXCVKDBGSM-MFKUBSTISA-N 398.466 5.068 30 40 GKEB CCCCCCCCCCCCCCCCCC/N=C/c1ccc([N+](=O)[O-])o1 102059536 ZAEKEEGHKOXWRR-DARPEHSRSA-N 392.584 7.868 30 40 GKEB CCCCCCCNCc1cc(Br)cc(Br)c1OC 102570914 MEZOYGYFZQKMPA-UHFFFAOYSA-N 393.163 5.280 30 40 GKEB COc1ccc(C2=NN([C@H](C#N)c3ccc(OC)cc3)[C@H](c3ccccc3)C2)cc1 102960400 PQOONWXYKHRVJH-LOSJGSFVSA-N 397.478 5.120 30 40 GKEB aggregator COc1ccc2c(c1)-c1nc(/N=C/c3ccc(Br)cc3)sc1CC2 408722353 HOAMTYIBTCJQJH-SRZZPIQSSA-N 399.313 5.430 30 40 GKEB Cc1ccccc1N=C1NC(=O)/C(=C/c2ccc(-c3ccc(C#N)cc3)o2)S1 409022205 JCTNAALGHNWOEJ-NDENLUEZSA-N 385.448 5.018 30 40 GKEB N#Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccc(Br)cc12 638313 LZMWDEVDZBPZNL-UHFFFAOYSA-N 380.072 5.631 30 40 GKEB O=C1C[C@@H](c2ccccc2)CC(Nc2ccccc2)=C1C(=O)Nc1ccccc1 1410825 KRERAPVMLPSRFQ-IBGZPJMESA-N 382.463 5.138 30 40 GKEB N#Cc1c(/N=C/N(Cc2ccccc2)Cc2ccccc2)sc2c1CCCCC2 2228175 ZKYCUXHBJUVCNS-ZXVVBBHZSA-N 399.563 6.251 30 40 GKEB Cc1ccc(/C=C2\S/C(=N\c3c(C)cccc3C)N(c3ccccc3)C2=O)cc1 3663702 SSPDTUMXMXJBMF-CENQWQLUSA-N 398.531 6.420 30 40 GKEB COc1ccc([C@@H](CC/N=C/c2ccccc2O)[C@@H]2CCOC(C)(C)C2)cc1 4027839 MFJRMYNIXYXNOJ-NOUCXIAYSA-N 381.516 5.199 30 40 GKEB biogenic COc1ccc(N/N=C(\C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)cc1 4175357 CIWPXICRCFEMMG-LHLOQNFPSA-N 390.512 5.357 30 40 GKEB C/C(=N\N=c1/scc(-c2ccccc2)n1Cc1ccccc1)c1ccccc1 6982539 LZUZXHIKNBOARF-JAQXZBBUSA-N 383.520 5.590 30 40 GKEB CCCCCCC(=O)/C=C\c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 17063474 XQYTVFLVFSAPOV-AUWJEWJLSA-N 381.428 5.367 30 40 GKEB C=C1CC[C@H](O)C/C1=C/C=C1/CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)C 100618321 QYSXJUFSXHHAJI-CBVBCNMJSA-N 384.648 7.619 30 40 GKEB in-vitro COc1ccccc1Oc1c(N)cc(C#N)n1Cc1ccc(Cl)cc1Cl 225883513 VEPZUDVLFWVKOT-UHFFFAOYSA-N 388.254 5.098 30 40 GKEB C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CCC(=O)C[C@H]5CC[C@@]43C)[C@@H]12 253501176 JMNNBGGLFDJNBE-MIQYFPGASA-N 396.659 7.597 30 40 GKEB Cc1cc(/C=N/c2ccc(Br)c(Cl)c2)c(C)n1-c1ccccc1 408779627 ZQACLXRQHBBCPN-WSDLNYQXSA-N 387.708 6.261 30 40 GKEB Cc1cc([N+](=O)[O-])ccc1/N=C/c1cc(C)n(-c2ccc(C(=O)O)cc2C)c1C 408910060 IXXQVBQLONLYIW-FSJBWODESA-N 391.427 5.068 30 40 GKEB CCCN1C(=O)/C(=C/c2ccc(N(C)C)cc2)S/C1=N/c1ccc(Cl)cc1 409089330 IPYPELQPZHGLEJ-QUUARBKMSA-N 399.947 5.420 30 40 GKEB COc1cc2c(cc1OC)[C@@H](c1ccc(F)cc1)C1=C(CC(C)(C)CC1=O)N2 816105 VUACYRVXLVZVEM-OAQYLSRUSA-N 381.447 5.044 30 40 GKEB CCOc1cccc(/C=N/c2ccc(-c3cc4ccccc4oc3=O)cc2)c1O 1508559 LUWWGYIQCNESEO-MFKUBSTISA-N 385.419 5.315 30 40 GKEB COc1ccc(O)c(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c1 1883618 QYZLZSNBVAQUPS-JVWAILMASA-N 394.430 5.950 30 40 GKEB Sc1nnc(-c2ccc(Cl)cc2)n1/N=C\C(Cl)=C\c1ccccc1 2343142 VFIFEXVNJAVGCJ-GCWDDWDASA-N 375.284 5.001 30 40 GKEB N#Cc1c(SCc2ccccc2Cl)nc2c(c1C(F)(F)F)CCCCC2 2424655 RZAQYSRPFMFJQM-UHFFFAOYSA-N 396.865 6.187 30 40 GKEB C(=N/c1n[nH]c2nnc(-c3ccccc3)c(-c3ccccc3)c12)\c1ccccc1 5531449 BYMWQSJLDHRGRT-PCLIKHOPSA-N 375.435 5.438 30 40 GKEB N#CCCn1c(SCc2csc(-c3ccccc3)n2)nc2ccccc21 7738693 CNMNEMGMRUSSRE-UHFFFAOYSA-N 376.510 5.366 30 40 GKEB N#Cc1ccc(CSc2nc(-c3cccs3)c(-c3cccs3)[nH]2)cc1 12644897 GGIBFVNTPXQUHT-UHFFFAOYSA-N 379.535 6.031 30 40 GKEB C(=N\N=C1c2ccccc2-c2ccccc21)\c1ccc(OCc2ccccc2)cc1 16921108 NDICXTBNSYXAOF-VEILYXNESA-N 388.470 6.118 30 40 GKEB CC[C@H](C)c1ccc(-c2c(C)sc(NC(=O)/C=C(\C)C(=O)O)c2C#N)cc1 17078122 CRDXHZKJUYPVMO-CVCOIXHCSA-N 382.485 5.078 30 40 GKEB COc1ccccc1/C=C1/S/C(=N/c2ccccc2)N(C2CCCC2)C1=O 100076492 KIDVENPRLZSWAT-MPIQAULUSA-N 378.497 5.242 30 40 GKEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](C(=O)/C=C/O)[C@@]4(C)CC[C@@H]32)C1 118932672 AAUWZCZUOUFZBD-YNFTUXHPSA-N 386.532 5.138 30 40 GKEB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CCC4=C(CC[C@@]4(C)C#CCl)[C@@H]3CC[C@@]2(C)C1 253617259 FNGHATOLMPZLFG-IXSAPAIESA-N 388.979 6.231 30 40 GKEB N#Cc1c(/N=C/c2ccc([N+](=O)[O-])o2)oc(-c2ccccc2)c1-c1ccccc1 408918128 GLLAMNVJSLZNQH-ZVHZXABRSA-N 383.363 5.737 30 40 GKEB C/C(=N\Nc1nc(-c2ccccc2)c(C)s1)c1ccc(Cl)c(Cl)c1 409055618 ZWCLPVKCQKRHDP-SSDVNMTOSA-N 376.312 6.261 30 40 GKEB COc1cc(/C=N/c2cccc(C)c2C)ccc1OCC(=O)Nc1ccccc1 409214007 WNCVAIIDKDSPOT-MFKUBSTISA-N 388.467 5.080 30 40 GKEB C[C@@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1cccc(F)c1)C2=O 1857622156 JPKPGSNREZFIQX-IACFCFHNSA-N 394.530 5.712 30 40 GKEB N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SC[C@@H]1CCCCC1=O 1064773 UTWVPFCMPGNRJZ-NSHDSACASA-N 396.459 5.552 30 40 GKEB O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1)CC(=O)N2c1ccc(F)cc1F 1079583 WSDXCNRUCZNBFZ-OAHLLOKOSA-N 387.813 5.146 30 40 GKEB CCCCCCCCCCCC(=O)NC1c2ccccc2Oc2ccccc21 2367514 SFLWXNXZMJQLOJ-UHFFFAOYSA-N 379.544 6.919 30 40 GKEB C=C1CC[C@@H](O)C/C1=C\C=C1/CCC[C@]2(C)[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]12 4492862 MECHNRXZTMCUDQ-QDFQMAQPSA-N 396.659 7.641 30 40 GKEB C/C(=N\Nc1c(Cl)cc(Cl)cc1Cl)c1ccc(N2CCOCC2)cc1 4867143 CKBKDURREGHVRO-WSDLNYQXSA-N 398.721 5.320 30 40 GKEB Cc1cc(I)cc(/C=N/c2cccc(Cl)c2C)c1O 6202607 QBXVOCSDZDJAFQ-QGMBQPNBSA-N 385.632 5.018 30 40 GKEB O=C1/C(=C/c2ccc(OC(F)F)cc2)[C@@H](c2ccccc2)Oc2ccccc21 6341284 QUIMJEXSOJCBLC-PZNLSKEWSA-N 378.374 5.688 30 40 GKEB N#CCCn1nc(-c2ccccc2)c2c1Nc1ccccc1N[C@@H]2c1ccccn1 7778762 LYBHTTMQRBGDJQ-HSZRJFAPSA-N 392.466 5.117 30 40 GKEB CCCCC1CCC(c2nc(C#N)c(NCCc3ccc(OC)cc3)o2)CC1 8867548 GGRAERJJCBUEQN-UHFFFAOYSA-N 381.520 5.673 30 40 GKEB CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/N=C1\N=C(O)/C(=C\c3ccc(Cl)cc3)S1)C2 8968549 PYCCCDOXZRYTIF-USXBGQAZSA-N 387.936 5.942 30 40 GKEB Cc1nc(S[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)c(C#N)c(C)c1C 12542979 AMLGBOQMWREKMN-ZDUSSCGKSA-N 384.892 5.435 30 40 GKEB C=CCn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1ccccc1 17076770 JMZLSBLFPTZXSN-UHFFFAOYSA-N 375.419 5.442 30 40 GKEB CC(C)=NNc1nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2s1 72229777 HTLDAYFGUDBPMZ-UHFFFAOYSA-N 380.517 5.654 30 40 GKEB CCCCCCCCN[C@H](C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 95536658 TUZKPWGHNMHLGC-NRFANRHFSA-N 392.370 6.868 30 40 GKEB CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC 95703907 OMQBXAQAHHFSST-UHFFFAOYSA-N 390.564 6.721 30 40 GKEB in-vitro COc1ccc(C(=O)c2coc3ccc(OCc4ccc(C#N)cc4)cc23)cc1 96184079 FBXBAZRNVUTSHU-UHFFFAOYSA-N 383.403 5.123 30 40 GKEB CCCCCCCCNCc1cccc(OC)c1OCc1ccc(Cl)cc1 102562067 ISPXYMRXQZXSIL-UHFFFAOYSA-N 389.967 6.378 30 40 GKEB C=CCN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccc(SC)cc1 224992380 MWCYJAHABCGUPP-UHFFFAOYSA-N 395.549 5.457 30 40 GKEB Cc1c(/C=N/OCc2cccc([N+](=O)[O-])c2)c2ccccc2n1Cc1ccccc1 408594696 UXTUANNPSROKIX-MFKUBSTISA-N 399.450 5.457 30 40 GKEB Cc1cc(/C=N/c2cc(C(=O)O)ccc2Cl)c(C)n1-c1ccc(Cl)cc1 408787180 TZXTWPZMOOZINI-FOKLQQMPSA-N 387.266 5.850 30 40 GKEB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N/c2cccc(Cl)c2C)c1C 408911904 OVCBCGQLEPMGLT-WYMPLXKRSA-N 380.875 5.813 30 40 GKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccccc3C(C)C)c2C)c1 408967756 RXVHEYTVQILFFC-WGOQTCKBSA-N 388.511 6.145 30 40 GKEB COc1cccc(/C=N\c2ccccc2C)c1OCc1ccc(C(=O)O)cc1 409187045 LHRUIBYFCBJIBJ-OYKKKHCWSA-N 375.424 5.031 30 40 GKEB Cc1ccc(Oc2ccc(/N=C/c3cccn3-c3ccc(C(=O)O)cc3)cc2)cc1 409239191 GWNAPGMEMPHEBY-YZSQISJMSA-N 396.446 6.027 30 40 GKEB Cc1ccc(S(=O)(=O)O[C@H]2C[C@@H](C(C)(C)C)CC[C@@H]2c2ccccc2)cc1 3954358 MONPOCASPAGPNP-NNWRFLSQSA-N 386.557 5.699 30 40 GKEB in-vitro CC(=O)Oc1ccc([C@H]2Sc3ccccc3NC3=C2C(=O)c2ccccc23)cc1 4417995 JUXQSIATLTZRAM-XMMPIXPASA-N 399.471 5.478 30 40 GKEB C=CCc1cc(CN2CCC(c3nc4ccccc4s3)CC2)c(O)c(OC)c1 12811088 GNMGOONNWFDLRU-UHFFFAOYSA-N 394.540 5.119 30 40 GKEB C=CCN1C(=O)/C(=C\c2cn(Cc3ccccc3)c3ccccc23)SC1=S 58821973 JZPPXZKURNRWMJ-DEDYPNTBSA-N 390.533 5.077 30 40 GKEB OC1=NC(=N\c2cc(F)c(F)c(F)c2)/C(=C/c2ccc3ncccc3c2)S1 72403037 OEHJCWRJNCNRCC-APSNUPSMSA-N 385.370 5.384 30 40 GKEB C=CCOc1ccc(/C=C2/C(=O)Nc3ccc(Cl)cc32)cc1Br 97990467 MQHWRQGVPLPBLF-RIYZIHGNSA-N 390.664 5.160 30 40 GKEB CCCCCCCCCCCC(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 98000390 LQIWYDNADCTLLV-UHFFFAOYSA-N 391.559 7.089 30 40 GKEB O=C1/C(=N\c2ccc(Br)cc2)c2ccccc2N1c1ccccc1 100055515 DYHQVRDUDUGAKP-QOCHGBHMSA-N 377.241 5.248 30 40 GKEB CCCOc1ccc2ccccc2c1/C=C1\SC(=N)[C@@H](c2nccs2)C1=O 108164121 IZONOJOPNYCBIM-KNBUONQESA-N 394.521 5.503 30 40 GKEB Oc1ccccc1/C=N/c1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1 408723417 UGBWVMNPOAXSOV-ZVHZXABRSA-N 390.895 6.587 30 40 GKEB O=C(/C=C/Nc1ccc(Br)cc1Br)c1ccc(F)cc1 409054567 BYNQQSMZVNOJGZ-BQYQJAHWSA-N 399.057 5.159 30 40 GKEB C[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(Cl)c(Cl)c3)c2C#N)C1 956423 BIEVWKDJSKJEMH-TZOMUSMUSA-N 391.323 5.703 30 40 GKEB Cc1cc(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc(C)c1Cl 1959805 VXPZWQCLQKQEOW-NSHDSACASA-N 388.920 5.032 30 40 GKEB Cc1cc2nc(-c3cccc(/N=C/c4cc([N+](=O)[O-])ccc4O)c3)oc2cc1C 3169493 FQQZJHBNFMQWLR-FSJBWODESA-N 387.395 5.476 30 40 GKEB CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N/[C@@H](C)c1ccccc1 4108938 TYPIRWPDHIWOCD-SKTLXTFLSA-N 395.553 5.110 30 40 GKEB CCN1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)S/C1=N\c1ccc(C)cc1 8362997 IOWGEQNOWYUDFS-ADGFTTEDSA-N 378.541 5.916 30 40 GKEB Cc1ccc(NC/N=C2/O/C(=C\c3ccc(F)cc3)C(=S)S2)cc1Cl 13517493 BLFMLJZQFVCDIN-RJANEQCRSA-N 392.908 5.645 30 40 GKEB C=CCSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1cccc(Cl)c1 44087380 LNFFDSZVGZQKIJ-UHFFFAOYSA-N 395.742 6.778 30 40 GKEB N#Cc1cnc2c(Cl)cc([N+](=O)[O-])cc2c1Nc1ccc(F)c(Cl)c1 95937959 LFDNSZIZKAKRBT-UHFFFAOYSA-N 377.162 5.204 30 40 GKEB O=C1/C(=C\c2cccc(Cl)c2Cl)[C@H](c2ccccc2)Oc2ccccc21 96766956 PDGHIISZXMSUPZ-OEHGHSTBSA-N 381.258 6.393 30 40 GKEB CCCCCCCCCCCC[C@](O)(CC)c1cccc(Br)c1 101016677 CJHRLGXJNXRGLT-OAQYLSRUSA-N 383.414 7.358 30 40 GKEB COc1ccccc1NC1=C(c2ccc(C(F)(F)F)cc2)C(=O)c2ccccc21 101091774 ICNMYLKLLVZUMP-UHFFFAOYSA-N 395.380 5.891 30 40 GKEB Cc1cc(C)c([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1C 408720532 SZIMBBGPVVSUOS-MHZLTWQESA-N 395.546 7.075 30 40 GKEB CC1=NOC(=O)/C1=C\c1cc(Cl)cc(Cl)c1OCc1ccc(F)cc1 409088771 GWASRJVGLNRJPP-CHHVJCJISA-N 380.202 5.028 30 40 GKEB C=CCOc1ccc(/C=C2\Sc3ccccc3NC2=O)cc1Br 409093742 AUNKNIBLJPGTCY-BOPFTXTBSA-N 388.286 5.099 30 40 GKEB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CC/C2=N\N=C/C=C\c1ccccc1 1543011095 CNATZRJRPIOVRF-JKXPUNQZSA-N 398.550 6.389 30 40 GKEB CCCCCCCCCCCc1cc(=O)n(-c2cc(Cl)ccc2Cl)n1C 1601762 OUQNTWCPIWDDFD-UHFFFAOYSA-N 397.390 6.556 30 40 GKEB O=C1/C(=C\c2ccccc2OC(F)F)CC/C1=C\c1ccccc1OC(F)F 2307254 YHNLUJGQHPSSDO-UKVBVZPVSA-N 392.348 5.719 30 40 GKEB COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3c2ccc2ncccc32)cc1 4710546 VAEWZBUYISPXMC-JOCHJYFZSA-N 384.479 5.444 30 40 GKEB C=CCSc1ncc(Cl)c(C(=O)Nc2ccc(-c3ccccc3)cc2)n1 9206450 MQRFQBORANHFTF-UHFFFAOYSA-N 381.888 5.327 30 40 GKEB COc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(C(C)C)cc1 12406424 FMWHASSLWZGTDN-UVWSQDQSSA-N 376.500 5.572 30 40 GKEB Cc1ccc(C(=O)C[n+]2cc(-c3ccc(Cl)cc3)n3c2CCCCC3)cc1 27525827 JRABUMDGTKBNQY-UHFFFAOYSA-N 379.911 5.014 30 40 GKEB O=[N+]([O-])c1ccc(Cl)cc1/C=N\Nc1c2ccccc2nc2ccccc12 31672199 SRSKCFIPUCWZFU-UUYOSTAYSA-N 376.803 5.396 30 40 GKEB CCCCCCCOc1ccc(/C=C2/C(=O)ON=C2c2ccc(Cl)cc2)cc1 100086973 SVDZXQYRKBCTQR-LTGZKZEYSA-N 397.902 6.034 30 40 GKEB Cc1ccc2oc(-c3cc(/N=C/C=C/c4ccccc4[N+](=O)[O-])ccc3O)nc2c1 100502862 GPGHXUKZAGFBOE-UAZDYKOFSA-N 399.406 5.833 30 40 GKEB N=C1S/C(=C\c2ccccc2OCc2ccccc2)C(=O)[C@@H]1c1nccs1 107620679 AYQNIHBOKHFKRB-KNBUONQESA-N 392.505 5.140 30 40 GKEB N#Cc1ccccc1CO/N=C/c1ccc(-c2cccc(Br)c2)o1 408592551 MMUYVVSWAXAQNQ-WSDLNYQXSA-N 381.229 5.131 30 40 GKEB Cc1cc(-c2ccc(/C=N/N(c3ccccc3)c3ccccc3)o2)ccc1[N+](=O)[O-] 408732672 TYAVLHPGBUNNIN-KOEQRZSOSA-N 397.434 6.335 30 40 GKEB Cc1cc(/C=N\c2ccc(Cl)cc2Cl)c(C)n1-c1cccc(Cl)c1 408766835 SOUDANKTWCEVGK-KSEXSDGBSA-N 377.702 6.805 30 40 GKEB CCc1cccc(C)c1NC(=O)CSc1nc2ccc(C)cc2cc1C#N 649423 FSJLYWXAGADZSN-UHFFFAOYSA-N 375.497 5.017 30 40 GKEB C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCCC3 2275952 JDXUQJAOLVIPFK-UHFFFAOYSA-N 382.554 5.384 30 40 GKEB Cc1cccc2oc(-c3cccc(/N=C/c4c(O)ccc5ccccc45)c3)nc12 3114276 UZPUWZDACVJTBS-CVKSISIWSA-N 378.431 6.413 30 40 GKEB CO/N=C/[C@@H]1C(=O)c2c(Oc3ccc(Cl)cc3)cccc2[C@H]1c1ccccc1 4002256 VPXADWRRRLWUQS-BWPLELJTSA-N 391.854 5.709 30 40 GKEB O=C1C(Cl)=C(Nc2cccc3cc4ccccc4nc23)C(=O)c2ccccc21 4522866 DOXUFSMEWDJZMC-UHFFFAOYSA-N 384.822 5.330 30 40 GKEB Cc1ccc([C@H]2C[C@H]2/C(=N/OCc2ccccc2F)c2ccc(F)cc2)cc1 5617853 OJHCWLGHNUBRQP-QGDDWMGYSA-N 377.434 5.998 30 40 GKEB Cc1ccsc1/C=C(/C(=O)c1cccc(Cl)c1)c1nc2ccccc2[nH]1 5695486 LFQLTGGMQJCGNX-VBKFSLOCSA-N 378.884 6.010 30 40 GKEB CCSC1=C(C(=O)c2ccccc2)C(=O)C[C@@H](/C=C/c2ccccc2)S1 26896839 LDGWAQHMLXJDEE-KAUXGEHWSA-N 380.534 5.622 30 40 GKEB CCCCCCCCCCCc1c(O)c(O)cc2nc3cc(C)c(C)cc3nc12 85340879 DPTXEMSHWHEACE-UHFFFAOYSA-N 394.559 6.884 30 40 GKEB biogenic,in-vitro CC1(C)[C@@H]2CC[C@]1(C)C(=O)/C2=C\[C@@H](Cc1ccccc1)C(=O)Oc1ccccc1 100366924 UTUGYCPSXHQSSU-CJEGZNKUSA-N 388.507 5.403 30 40 GKEB C/N=c1/scc(-c2ccc(Cl)cc2Cl)n1/N=C/c1cc(C)ccc1C 103371900 GOVJNUFKQNLDIW-NXGKEPEESA-N 390.339 5.553 30 40 GKEB COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3[C@@H]3O[C@H]3[C@@]21C 119170084 FXRYPRSTXONWAP-GREKQGMNSA-N 388.592 5.612 30 40 GKEB CC/N=C1\S/C(=C\c2cc3c(cc2C)N(C)C(C)(C)C[C@@H]3C)C(=O)N1CC 223570447 SIYSQIADIVPFOG-XFIMHWKESA-N 385.577 5.029 30 40 GKEB Cc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)cc(Cl)c3O)S2)c(C)c1 408723751 JCKIOPJEUTWHPY-VIZOYTHASA-N 393.295 5.207 30 40 GKEB Cc1ccc(N/C=C/C(=O)c2ccc(Br)cc2)cc1Br 408950211 GPWYPBIKOTTZQO-CMDGGOBGSA-N 395.094 5.329 30 40 GKEB Cc1ccc(/C=N\c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1[N+](=O)[O-] 409087994 DJCQFTAMIMQSAQ-WQKDKYNYSA-N 381.501 5.738 30 40 GKEB Cc1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cc1C#N 2543591 KVWMMNMLWKTILB-UHFFFAOYSA-N 386.238 5.389 30 40 GKEB CCCC[C@H]1S/C(=N/N=C/c2ccc(C)cc2)N(Cc2ccccc2C)C1=O 4899353 XAXZJBPFFIGWMZ-ARGSHCIWSA-N 393.556 5.328 30 40 GKEB CCCCCCCCOc1ccc(-c2ccc(C(=O)O[C@H](C)CCC)cc2)cc1 8383600 ZEIHIVGTDQDRRP-OAQYLSRUSA-N 396.571 7.438 30 40 GKEB Cc1cc([N+](=O)[O-])cc(/C=N/c2ccc(-c3nc4ccccc4s3)cc2)c1O 16269585 UTSODLVWCAIESI-WSDLNYQXSA-N 389.436 5.636 30 40 GKEB Cc1c(C#N)c(S[C@H](C)C(=O)Nc2ccc3ccccc3c2)nc2c1CCC2 32724162 AHZMGVSTJXRGPS-OAHLLOKOSA-N 387.508 5.023 30 40 GKEB COc1ccc(Oc2sc(/N=C/c3ccco3)nc2-c2ccccc2)cc1 80340536 PNLICICZGBAXTG-HYARGMPZSA-N 376.437 5.955 30 40 GKEB Brc1ccc2c(c1)Cc1cc(/N=C\c3ccc4c(c3)OCO4)ccc1-2 104089599 MYXUNBAEBOTUEL-KSEXSDGBSA-N 392.252 5.500 30 40 GKEB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)c(C#N)c1 225680613 LOLMNKBWJKUDIR-SFHVURJKSA-N 376.500 5.495 30 40 GKEB Cc1ccc(/N=C2\S/C(=C/c3ccccc3C)C(=O)N2C2CCCCC2)cc1 408915903 RPZVYCNDIMZHOY-FTJNEJEMSA-N 390.552 6.240 30 40 GKEB COc1ccc(/C=N/c2ccc(-c3nc4cc(Cl)ccc4o3)cc2)cc1Cl 3050110 UPWHIZVDGLSFAI-WYMPLXKRSA-N 397.261 6.561 30 40 GKEB N#Cc1ccc(COC(=O)c2ccccc2OCc2ccccc2Cl)cc1 3268406 HGFGXHSNLDVUDC-UHFFFAOYSA-N 377.827 5.148 30 40 GKEB C=C1CC[C@@H](O)C/C1=C\C=C1/CCC[C@]2(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]12 4492874 QYSXJUFSXHHAJI-WZNGOYFVSA-N 384.648 7.619 30 40 GKEB C/C(=N\N=C(/C)c1ccc(Br)cc1)c1ccc(Br)cc1 4693998 DOXQSYRMLIQLTA-AYKLPDECSA-N 394.110 5.445 30 40 GKEB O=C(/C(=C\c1c[nH]c2ccccc12)c1nc2ccccc2s1)c1ccccc1 5899501 FEDKJWGYOBXEOT-XMHGGMMESA-N 380.472 6.201 30 40 GKEB Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/NCc2ccccc2Cl)c1C 8811701 WQEYVUMFESWZTL-DHRITJCHSA-N 386.326 5.833 30 40 GKEB CCCCOc1ccc(/C=N/c2nc3c(s2)CCc2cc(OC)ccc2-3)cc1 59459295 HFHLXWWUZWJILY-BUVRLJJBSA-N 392.524 5.847 30 40 GKEB O/N=C1/[C@H]2CC[C@H](C2)[C@H]1Sc1nc(-c2ccccc2)c(-c2ccccc2)o1 100928292 QVLKDXFKSIJEKM-CVWNTBNDSA-N 376.481 5.729 30 40 GKEB Cc1ccc(NC2=C(c3ccc(C(F)(F)F)cc3)C(=O)c3ccccc32)c(C)c1 101091684 IXWVOKIEICGMCN-UHFFFAOYSA-N 393.408 6.499 30 40 GKEB CCCCCCCCCCCCSC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 104357544 QIURYIBYTWFNSK-UHFFFAOYSA-N 396.509 6.297 30 40 GKEB COc1ccc(C)cc1/N=C\c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 408804273 WTWDVSLVRNWKPO-MYYYXRDXSA-N 388.467 5.080 30 40 GKEB Cc1cccc(-n2cccc2/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)c1C 408965380 KZVLAHAFXSWCIA-DEDYPNTBSA-N 391.471 5.125 30 40 GKEB CC1=NOC(=O)/C1=C\c1cc(Cl)cc(Cl)c1OCc1ccc(C)cc1 409076888 CGPKIFNEGBQOCB-PXNMLYILSA-N 376.239 5.197 30 40 GKEB CCOc1ccc(-n2c(C)cc(/C=N\c3cccc(C(=O)OC)c3)c2C)cc1 409187478 QYRHSDYIUCVZLE-IWIPYMOSSA-N 376.456 5.030 30 40 GKEB CCc1cccc(C)c1NC(=O)CSc1nc2cc(C)cc(C)c2cc1C#N 1354379 NSODRVOXVKUEOM-UHFFFAOYSA-N 389.524 5.325 30 40 GKEB C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nc(C(F)(F)F)cc1=O 1403049 HXNRCAXOWUFXKT-UHFFFAOYSA-N 395.233 5.047 30 40 GKEB N#Cc1c(NC(=O)/C=C/c2c(Cl)cccc2Cl)sc2c1CCCCC2 2082331 HOWWKWDFTPHNCB-MDZDMXLPSA-N 391.323 5.847 30 40 GKEB C=CCn1c(SCc2cc(C)ccc2C)nnc1-c1ccc(C(C)(C)C)cc1 2452466 AOBJMUNQVARRQQ-UHFFFAOYSA-N 391.584 6.338 30 40 GKEB C(=N/c1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1)\c1ccccc1 3091067 PZTZRNRWGFSQLT-XHLNEMQHSA-N 399.497 6.957 30 40 GKEB CCOc1ccc(-n2c(C)cc(/C=N/Nc3nc4ccccc4s3)c2C)cc1 5568917 AOPRHWWIDFGOJD-OEAKJJBVSA-N 390.512 5.549 30 40 GKEB CC(=O)Nc1ccc(/C=C/C(=O)c2cc3cc(Br)ccc3o2)cc1 7716112 KPUREGAKUFNHBR-XBXARRHUSA-N 384.229 5.050 30 40 GKEB C=CCn1c(C)nnc1S[C@H](C(=O)c1ccc(C)cc1)c1ccc(C)cc1 8394755 YIRNDSNXJXQLKH-NRFANRHFSA-N 377.513 5.106 30 40 GKEB C[C@H](SC1=Nc2ccccc2CS1)C(=O)Nc1sc2c(c1C#N)CCC2 42512771 PJGYWVTWVCKBTH-NSHDSACASA-N 399.566 5.103 30 40 GKEB COc1ccc(/C=N/Nc2nc(-c3ccc(C)cc3)c3ccccc3n2)c(OC)c1 71924227 STXVGZYHBLJVOD-MFKUBSTISA-N 398.466 5.068 30 40 GKEB Clc1ccc(COc2ccc(/C=N\Nc3nc4ccccc4s3)cc2)cc1 98032977 ROCZVFPCQCMNHX-QRVIBDJDSA-N 393.899 5.975 30 40 GKEB CCCCCCCCCCCCNC(=S)N/N=C\C(C)=C\c1ccccc1 104386659 BWONBQIZMOWFQC-GLMPBZBVSA-N 387.637 6.461 30 40 GKEB COc1cccc(/C=N/c2ccc(Oc3ccccc3)cc2)c1O[C@@H](C)C(=O)O 409222868 XXDSJZIEIAEZNH-WTJYETQFSA-N 391.423 5.090 30 40 GKEB C=C(C)[C@@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@H]4[C@@]5(C)CCC(=O)C[C@H]5CC[C@@]43C)[C@H]12 2038218753 JMNNBGGLFDJNBE-KVCXQONTSA-N 396.659 7.597 30 40 GKEB N#Cc1c(-c2ccc(Cl)cc2)c(/C=C/c2ccccc2)nn1-c1ccccc1 4670944 NRQRLVMIYBBTLJ-LFIBNONCSA-N 381.866 6.235 30 40 GKEB CN(/N=C/c1sc2ccccc2c1OC(=O)c1ccco1)c1ccccc1 4859524 UJMOZSXDGIETKY-HYARGMPZSA-N 376.437 5.184 30 40 GKEB COc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1OCc1ccccc1F 8371796 IKXGKLWFVJUWBJ-DHRITJCHSA-N 383.850 6.126 30 40 GKEB COc1ccc([C@@H]2C[C@H]2/C(C)=N/OC(=O)c2c(Cl)cccc2Cl)cc1 12350561 XRJJONMYLWJZHS-FOSRRJHRSA-N 378.255 5.338 30 40 GKEB Cc1nn(-c2ccccc2)c2c1C1=C(C(=O)CC(C)(C)C1)[C@@H](c1ccc(O)cc1)N2 16266247 FJWGBJZIHNDUET-HSZRJFAPSA-N 399.494 5.196 30 40 GKEB CC1=CC(C)(C)N2C(=O)/C(=N\c3cccc(C(F)(F)F)c3)c3cc(C)cc1c32 16284600 XRKAJKXITZNZAW-ITYLOYPMSA-N 384.401 5.677 30 40 GKEB CCCCCCCCCCCCCCCCCC[N+](C)(C)CCOCCO 100925701 BRZSGUWAOVBAGS-UHFFFAOYSA-N 386.685 6.333 30 40 GKEB CCCCCCCCCCCCCC(=O)c1ccc(OCCCC)cc1O 100925787 YKTKVUVDLDXRCL-UHFFFAOYSA-N 376.581 7.455 30 40 GKEB Cc1ccc(N/N=C2\C(=O)N(C3CSC3)c3ccc(C(C)C)cc32)cc1Cl 223728661 IFWIWBVRAMDYKJ-GFMRDNFCSA-N 399.947 5.050 30 40 GKEB C=CCn1c(-c2ccc(Cl)cc2)csc1=Nc1cccc(C(F)(F)F)c1 254738371 WZKMDIJOJGQMPR-UHFFFAOYSA-N 394.849 6.307 30 40 GKEB CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2ccc(C)c(C)c2)NC1=O 408814604 HJZCUQDGZIJFHC-WQRHYEAKSA-N 386.904 5.247 30 40 GKEB Cc1ccccc1N=C1NC(=O)/C(=C/c2cccn2-c2ccc(Cl)cc2)S1 408853748 XQCGIKBSARMEKT-UYRXBGFRSA-N 393.899 5.331 30 40 GKEB CCCn1c(C)c(/C=N/CCNc2cccc3ccccc23)c2cccc(C)c21 409034455 NWMTUQIOALKEOE-OVVQPSECSA-N 383.539 6.352 30 40 GKEB CCOc1ccc(-n2c(C)cc(/C=N/c3cccc(C(=O)OC)c3C)c2C)cc1 409189057 HZNZUSPEKOSEED-MFKUBSTISA-N 390.483 5.338 30 40 GKEB CC1(C)CC(=O)C2=C(C1)N(c1ccccc1F)C(=O)C[C@@H]2c1ccc(Cl)cc1 1079513 OHZNTVBPOCWQDK-MRXNPFEDSA-N 397.877 5.643 30 40 GKEB CCCCCCC(=O)/C=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1561034 XQYTVFLVFSAPOV-VGOFMYFVSA-N 381.428 5.367 30 40 GKEB CC[C@@H]1CCc2c(sc(NC(=O)c3cc(Cl)ccc3Cl)c2C#N)C1 2737285 UBTJBDOUPQROSP-SNVBAGLBSA-N 379.312 5.694 30 40 GKEB C(=N/Nc1ncnc2scc(-c3ccccc3)c12)\c1cccc2cccnc12 5574976 MPOMNNVDGSTWGZ-RPPGKUMJSA-N 381.464 5.353 30 40 GKEB CCCCCCCC(=O)NCCC[C@@H](C)Nc1cc(OC)cc2cccnc12 8214436 ZJIPRNQITXJYCK-GOSISDBHSA-N 385.552 5.301 30 40 GKEB CCCCCCCSC[C@@H](Cc1ccc(Cl)cc1Cl)n1ccnc1 8442129 XSCGRABXAGFDCZ-GOSISDBHSA-N 385.404 6.677 30 40 GKEB O=C1CCCC2=C1[C@H](c1ccco1)N(C(=O)C1CCCCC1)c1ccccc1N2 9264203 GPVYLTOMHYCRJK-QHCPKHFHSA-N 390.483 5.367 30 40 GKEB CC1=C2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@@H]4[C@H](C)CCCC(C)C)[C@@]2(C)CCC1=O 34382842 VWIGOBCYZDKRDK-QRLHXZIHSA-N 398.675 7.987 30 40 GKEB O[C@](CC#CCN1CCCCC1)(c1ccccc1)c1ccc(-c2ccccc2)cc1 67319113 IJKQYPDFUACQFQ-MUUNZHRXSA-N 395.546 5.469 30 40 GKEB CCCCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1cccc(F)c1 102598145 UBTAMHWCHUNWDY-JBCNATCCSA-N 395.474 5.136 30 40 GKEB CC(C)N1c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3)cc2[C@H](C)CC1(C)C 260565248 HOIXZRFJKAGKEJ-BRABVMKYSA-N 380.492 5.541 30 40 GKEB N#Cc1ccccc1CO/N=C/c1ccc(-c2ccc(F)cc2Br)o1 408596378 RWTBOQTVIJZYFY-FOKLQQMPSA-N 399.219 5.271 30 40 GKEB Cc1ccc(-n2cccc2/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c(C)c1 409199406 CMAYOAZAHBWHIR-DYEBMTOPSA-N 381.545 5.183 30 40 GKEB [O-][N+](=Cc1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1)c1ccccc1 1083148049 DQHFDTKNLHBWNC-UHFFFAOYSA-N 399.290 6.245 30 40 GKEB Fc1cc(Br)cc(Oc2c(F)cc(C(F)(F)F)cc2F)c1F 1504250534 ZRMUUEDEQUFSIC-UHFFFAOYSA-N 389.064 5.817 30 40 GKEB CCCCCCCOc1ccc(OC(=O)c2ccc(C)cc2)c(C#N)c1C#N 3064773 RRAFAXRRWYPCNQ-UHFFFAOYSA-N 376.456 5.307 30 40 GKEB CCn1cc([C@@H](c2ccccc2)[C@H](C(=O)c2ccccc2)[N+](=O)[O-])c2ccccc21 4812426 WKAMWHBBSVNVKS-DNQXCXABSA-N 398.462 5.321 30 40 GKEB CCCCCOc1ccc(C(=O)Oc2ccc(/N=C/c3ccccc3)cc2)cc1 5418906 KBZWGALYMYGISO-LGUFXXKBSA-N 387.479 6.225 30 40 GKEB CC(C)N(C(=O)COc1ccc(C#N)cc1)c1ccc(Nc2ccccc2)cc1 10532333 SBPCYXDECCNDRG-UHFFFAOYSA-N 385.467 5.122 30 40 GKEB CCOc1ccc([C@H]2C3=C(CCCC3=O)Nc3c2c(C)nn3-c2ccccc2)cc1 18197128 OWNGBWRTWNAIDB-HSZRJFAPSA-N 399.494 5.144 30 40 GKEB O=[N+]([O-])c1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1 59471667 FIRMSYPPOYQBOA-WGCMYMJESA-N 395.462 6.172 30 40 GKEB CCCCCCCCOc1ccc(/N=C/c2ccc(C(=O)O)cc2)cc1C#N 59663971 DRHQVOJAMMSMHD-KOEQRZSOSA-N 378.472 5.746 30 40 GKEB C/C(=N\Nc1nc(C(F)(F)F)nc2ccccc12)c1oc2ccccc2c1C 61458702 HKGWDZANFZGFFN-RPPGKUMJSA-N 384.361 5.539 30 40 GKEB CC1(C)CC2=C[C@]3(C)CC(C)(C)C[C@@]4(C3)S/C(=N\c3ccccc3)NC(=C24)C1 102453266 WGZZZYOQQKPNIG-RPBOFIJWSA-N 392.612 6.980 30 40 GKEB O=C1C(=O)N(c2ccccc2)[C@H](c2ccc(F)cc2)/C1=C(O)/C=C/c1ccccc1 102889079 CKWXBRIQICOTIP-BCXXCYPGSA-N 399.421 5.008 30 40 GKEB CCCCCCCCCCCCCCCCCC1=NCCN1CCNC(C)=O 104177292 SAYIRMLUHWSMLB-UHFFFAOYSA-N 393.660 6.098 30 40 GKEB CC(C)N1c2ccc(/C=N\NC(=S)Nc3ccccc3)cc2[C@H](C)CC1(C)C 260565510 IWTJTEXMIUGWPN-WMWHPZEKSA-N 394.588 5.508 30 40 GKEB N#CCOc1ccccc1[C@@H]1Nc2ccc3ccccc3c2C2=C1C(=O)CCC2 408818956 ZJFNDMZQESMTBE-VWLOTQADSA-N 380.447 5.416 30 40 GKEB COc1ccc(/N=C\c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)cc1 408934789 CZPDUIAZEYJSNH-FMCGGJTJSA-N 382.847 5.205 30 40 GKEB FC(F)(F)C(F)(F)C(F)(F)N/N=C\c1cc(Cl)cc(Cl)c1Cl 409032429 JKZBKLKGHSMHLX-OSSHXBFKSA-N 391.501 5.361 30 40 GKEB C=CCOc1c(Cl)cc(/C=C2\SC(=O)N(CCCCC)C2=O)cc1OC 409202982 TZSZVVTUJUEPKH-VBKFSLOCSA-N 395.908 5.140 30 40 GKEB Cc1ccc(C)c(/N=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)c1 409213390 UASCTGBXIXCYKR-MXAYSNPKSA-N 384.306 6.940 30 40 GKEB COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1Cl 1428686 ZFPLXJQHNFEJOP-NRFANRHFSA-N 382.891 5.571 30 40 GKEB CC(C)CCOc1ccc(/C=N/c2nc3ccccc3n2Cc2ccccc2)cc1 2072731 TVOHQERLHUDKHM-OVVQPSECSA-N 397.522 6.260 30 40 GKEB C(=N/Nc1ccc2ccccc2n1)\c1cn(-c2ccccc2)nc1-c1ccccc1 6346501 XOYJDJJLYAYSMU-YZSQISJMSA-N 389.462 5.534 30 40 GKEB O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C/c1c[nH]c2ccccc12 18141714 FTRBKXVTXVYZAO-OVCLIPMQSA-N 388.279 5.366 30 40 GKEB Fc1ccc(-c2ccc(/C=N/N=C/c3ccc(-c4ccc(F)cc4)o3)o2)cc1 26841372 OFUZNDVMCASCHQ-BKHCZYBLSA-N 376.362 5.938 30 40 GKEB CC1=CC(C)(C)N(C)c2cc(Cl)c(C=C3C(=O)c4ccccc4C3=O)cc21 113815745 NCYNEDMZDYTINU-UHFFFAOYSA-N 377.871 5.434 30 40 GKEB CCOc1ccc(-n2c(C)cc(/C=N/c3ccc(Cl)c([N+](=O)[O-])c3)c2C)cc1 140399111 JMUKDIYEKJUJJJ-YDZHTSKRSA-N 397.862 5.805 30 40 GKEB COc1ccc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]3(C)C2=O)cc1 245241830 QMUTWRBFFVDYDU-RRDIPMHDSA-N 388.507 5.520 30 40 GKEB O=C1/C(=C\C=C\c2ccccc2)S/C(=N\c2ccccc2)N1Cc1ccccc1 408906754 DMMMOOHRQAJSLY-IXLQOHEXSA-N 396.515 6.047 30 40 GKEB O=[N+]([O-])c1ccccc1/C=N\Nc1nc(-c2ccco2)c(-c2ccco2)s1 408977513 WDQYHDAPOPCAKE-ODLFYWEKSA-N 380.385 5.017 30 40 GKEB N#Cc1ccccc1COc1ccc(/C=C2\Sc3ccccc3NC2=O)cc1 409099747 LJJNSPPGFNTIGQ-XKZIYDEJSA-N 384.460 5.223 30 40 GKEB CSc1nc2ccc(/N=C/c3ccc(Sc4ccccc4)o3)cc2s1 713853 DZXJGUZUSFBSDC-UDWIEESQSA-N 382.535 6.513 30 40 GKEB C(=N/N=C1c2ccccc2-c2ccccc21)\c1cccc(OCc2ccccc2)c1 1710197 LYGCFYNUMTZAAT-MTDXEUNCSA-N 388.470 6.118 30 40 GKEB CCCCCCCCCn1c(/N=C/c2cc(Cl)ccc2O)nc2ccccc21 2268437 LRRLRTNZVKGBRM-KOEQRZSOSA-N 397.950 6.897 30 40 GKEB C=CCn1c(Cc2cccs2)nnc1SCC(=O)c1cc(C)c(C)cc1C 3355756 GXKWIBJSGGMYHP-UHFFFAOYSA-N 397.569 5.017 30 40 GKEB COc1ccc(-c2csc(/C(C#N)=N/Nc3c(C)cc(C)cc3C)n2)cc1 4175561 BELQCQQIPBEZKK-HKOYGPOVSA-N 376.485 5.084 30 40 GKEB CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@@H]1[C@H](C#N)[C@@H]3C#N 4720790 ASMKAMXVVIUEAB-VGLUQBGISA-N 380.532 5.176 30 40 GKEB Cc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2sccc2C)C3=O)cc1 5253797 APPSQMNEXOPYLF-UNOMPAQXSA-N 376.433 5.200 30 40 GKEB N#Cc1ccc(CSc2nnc(-c3cccs3)n2Cc2ccccc2)cc1 6475463 LYUMHULKVIMFQL-UHFFFAOYSA-N 388.521 5.219 30 40 GKEB CCCC(=O)Nc1ccc(-c2csc(N/N=C(\C)c3ccccc3)n2)cc1 6782919 CVIHOGVRNUWVKI-BUVRLJJBSA-N 378.501 5.385 30 40 GKEB C[C@H](Cc1n[nH]c(=S)n1/N=C/c1ccc(C(F)(F)F)cc1)c1ccccc1 8489939 BHAMTIWLWYQQFD-GHONEHJGSA-N 390.434 5.188 30 40 GKEB CC(C)Oc1ccc(Br)cc1/C=N/NCc1ccc(Cl)cc1 10119022 SVWWIYMKJVBTTR-SRZZPIQSSA-N 381.701 5.013 30 40 GKEB Cc1ccsc1/C=C1\Oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc2C1=O 13758663 LNCNNTMCZHVRFT-ODLFYWEKSA-N 393.420 5.160 30 40 GKEB Cc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(C(C)C)cc1 16268372 ZXXDSLINQXJTLY-UCQKPKSFSA-N 376.460 5.572 30 40 GKEB COc1ccccc1CN/N=C/c1ccccc1OCc1cccc2ccccc12 20761236 OIYWRUQKOZEOJB-MTDXEUNCSA-N 396.490 5.551 30 40 GKEB C/C(=N\Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc2ccccc2c1O 101160372 OGLQTMWVNKFQGT-FOKLQQMPSA-N 389.333 5.309 30 40 GKEB Clc1ccccc1/C=N\CC1CCC(C/N=C/c2ccccc2Cl)CC1 104168643 UMXZABWRYJGQFD-WFOJNGAISA-N 387.354 6.338 30 40 GKEB CCCOc1c(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)cccc1OC 135988683 KKSQPMAIYXDAFI-XGHAMVSDSA-N 396.512 5.026 30 40 GKEB CCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1C#N 225762730 DZORCEKARBVZAL-UHFFFAOYSA-N 380.463 5.327 30 40 GKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4ccccc4)o3)S2)cc1 408951805 KDRXYABZHWTPEW-XSFVSMFZSA-N 390.464 5.237 30 40 GKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(Sc4ccccn4)o3)S2)cc1 408991718 OZHBRPCAMWDGAW-VBKFSLOCSA-N 393.493 5.026 30 40 GKEB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/c2cccc(C)c2C)cc1 409213949 UPSIGOIMNMQAJD-HZHRSRAPSA-N 379.481 5.130 30 40 GKEB N#Cc1c(NC(=O)/C=C/c2ccc(Cl)cc2Cl)sc2c1CCCCC2 2308203 MCQXUFDEDLQDDO-VQHVLOKHSA-N 391.323 5.847 30 40 GKEB Fc1cccc(-c2nc3cc(/N=C/c4ccc(Cl)cc4Cl)ccc3o2)c1 3113091 COVIYPCGNJMGQT-BHGWPJFGSA-N 385.225 6.691 30 40 GKEB CN(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccco2)cc1 4973592 UMIYXWUXIGYUBO-CRICUBBOSA-N 399.494 5.325 30 40 GKEB O=C(/C(=C/c1ccc(OC(F)F)cc1)c1nc2ccccc2[nH]1)c1ccccc1 5072264 CEJMODYSVINNIY-JXAWBTAJSA-N 390.389 5.588 30 40 GKEB Cc1ccc(/N=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2)c(C)c1 8368554 GFDAJSVVHUCAMM-AFUMVMLFSA-N 392.886 5.725 30 40 GKEB Cc1ccc(/C=C2/S/C(=N\c3ccc(Cl)cc3C(F)(F)F)NC2=O)o1 8550939 KNDNVPYILBOZHS-NTUHNPAUSA-N 386.782 5.152 30 40 GKEB C=CC/N=c1\scc(-c2ccc(Cl)cc2Cl)n1/N=C/c1ccsc1 12660573 VJWGNWRKYSQEGR-DQLPVQCZSA-N 394.352 5.554 30 40 GKEB O=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1Cl 17124101 HMYNUBOAGBGYDT-MDWZMJQESA-N 383.274 6.469 30 40 GKEB Cc1cccc2c1Oc1nn(-c3ccccc3)c(/N=C/c3ccc(Cl)cc3)c1C2 20849531 MDWQVHYLKFTWRJ-CVKSISIWSA-N 399.881 6.281 30 40 GKEB Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc(-c2nc3ccccc3o2)cc1 100038272 HGVZNJMURKJSNJ-FOKLQQMPSA-N 383.234 6.258 30 40 GKEB CCOc1ccccc1[C@H]1C2=C(CC(C)(C)CC2=O)NC2=C1C(=O)c1ccccc12 100636569 BTKMKNNZVUQJOJ-NRFANRHFSA-N 399.490 5.023 30 40 GKEB C1=C/C(=N\C2CCCCC2)C=C2C1=N[C@@]13CCCC[C@@H]1CC1=C(CCCC1)N23 100668399 SVPQRBCSONEAHF-QINANHJXSA-N 375.560 6.089 30 40 GKEB COc1cccc(NC2=C(c3ccc(C(F)(F)F)cc3)C(=O)c3ccccc32)c1 101091665 SUPAFNRFBCIFMD-UHFFFAOYSA-N 395.380 5.891 30 40 GKEB CCCCCCCNCc1c(OCc2ccc(Cl)cc2)ccc2ccccc12 102568316 FBPJFXKQPGKGDB-UHFFFAOYSA-N 395.974 7.132 30 40 GKEB CCN1c2cc(C)c(/C=N/c3ccc(OC)c(Cl)c3)cc2[C@@H](C)CC1(C)C 198098653 RWTUXPXDKSBVMC-MMDHUZEPSA-N 384.951 6.520 30 40 GKEB COc1ccc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)c(OC)c1 408737433 QLKKDGALNFEMHQ-KOEQRZSOSA-N 383.451 5.307 30 40 GKEB CCCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)S/C1=N\c1ccccc1 408911934 PBIQWWOUMMZYTD-AVJLYGTLSA-N 391.323 6.007 30 40 GKEB CCCCCCCCc1cnc(-c2ccc(C(=O)OCCCCCC)cc2)nc1 604939605 OQBGEDPUHXTAEA-UHFFFAOYSA-N 396.575 6.784 30 40 GKEB CCOc1ccc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc1 780198 HBQVASLTZCNXJY-DEOSSOPVSA-N 390.527 5.924 30 40 GKEB CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccccc1Cl 826152 RGUZZJWWYDIHNL-UHFFFAOYSA-N 384.903 5.740 30 40 GKEB Fc1ccc(/C=N/c2ccc(-c3ccc(/N=C/c4ccc(F)cc4)cc3)cc2)cc1 3154369 PBMDGOXMPJYZIY-YAGSLNJISA-N 396.440 7.133 30 40 GKEB CCC(=O)Nc1c(C#N)c(-c2ccccc2)c(-c2ccccc2)n1C1CCCCC1 3165481 YKQMZTYPSSDPKR-UHFFFAOYSA-N 397.522 6.547 30 40 GKEB C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C/C(=C/c1ccc(Cl)cc1)C2=O 4061147 WCHUABIOEGJTRD-LPAUVHMXSA-N 392.926 6.164 30 40 GKEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(-c3ccccc3OC(F)(F)F)o2)cc1 4507020 MJUSECULSGRTPX-SSDVNMTOSA-N 391.305 5.199 30 40 GKEB Cc1ccc2sc(-c3ccc(/N=C/c4cc([N+](=O)[O-])ccc4O)cc3)nc2c1 5343099 CORJFLPIVRNWME-WSDLNYQXSA-N 389.436 5.636 30 40 GKEB CC(C)[C@@H](c1ccc(Cl)cc1)[C@H](C#N)c1cccc(Oc2ccccc2)c1 5761167 XTIPCTXNTSRYDV-RPWUZVMVSA-N 375.899 7.179 30 40 GKEB CCc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccccc3)c(Cl)c2)cc1 8084748 HABBXRZJSREXDV-HZHRSRAPSA-N 399.899 5.421 30 40 GKEB Cc1cc2c(cc1C)N[C@@H](c1ccccc1Cl)C1=C(CC(C)(C)CC1=O)N2 18190063 RMBGQJMJDUUVDJ-QFIPXVFZSA-N 380.919 6.179 30 40 GKEB Cc1ccccc1OCc1ccc(-c2nc(C#N)c(NCc3ccccc3)o2)o1 32999857 WTRSGLPZFSACOG-UHFFFAOYSA-N 385.423 5.306 30 40 GKEB CCCCCCCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)O)cc2)cc1 59608688 WUAMOVIJCZAQKI-CXUHLZMHSA-N 382.456 5.353 30 40 GKEB CC1(C)C[C@@](C)(c2ccccc2)c2cccc3c2N1C(=O)/C3=N/c1ccc(O)cc1 100117613 TYWDNPGOYRSKMZ-NRILKJAUSA-N 396.490 5.348 30 40 GKEB c1ccc(N/N=C(C(=N/Nc2ccccc2)\c2ccccc2)/c2ccccc2)cc1 100333959 ZYBRJAQAIDDAIV-IDDWGTJGSA-N 390.490 6.019 30 40 GKEB CCCCCCCCNCc1c(OCc2ccccc2)ccc2ccccc12 102562056 VJNKXVAALCQPIW-UHFFFAOYSA-N 375.556 6.869 30 40 GKEB Cc1c([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)c2ccccc2n1C 408806580 AGDWBGRHRDUPBU-HHHXNRCGSA-N 392.502 6.313 30 40 GKEB C#CCOc1c(Cl)cc(/C=N/c2sc3c(c2C#N)CCCC3)cc1OCC 408820644 XRGYGZCQUBIIBT-ZMOGYAJESA-N 398.915 5.313 30 40 GKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2c(C)n(C)c3ccccc23)S1 408849932 BBZXRHIPRBZUCT-YBFXNURJSA-N 395.915 5.340 30 40 GKEB CCN1C(=O)/C(=C\c2c[nH]c3ccccc23)S/C1=N\c1c(C)cccc1C 408914773 XPFIIAQHDLWIGJ-RVFNTIOESA-N 375.497 5.409 30 40 GKEB COc1cccc(/N=C/c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)c1 408955574 YOEMOGABMINJMN-FSJBWODESA-N 382.847 5.205 30 40 GKEB Cc1cc(/C=N/c2ccc(F)c(Cl)c2)c(C)n1-c1ccc(C(C)(C)C)cc1 408966218 KNLFPGPKUUATJP-VULFUBBASA-N 382.910 6.935 30 40 GKEB C/C(=N\Nc1nc(-c2ccc(C)cc2)c2ccccc2n1)c1ccc([N+](=O)[O-])cc1 585085709 BTFWBFYVQATBDW-WGOQTCKBSA-N 397.438 5.350 30 40 GKEB O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1ccccc1F)Nc1ccccc1N2 720481 VWTJBNWEENSQDU-QKFKETGDSA-N 390.483 5.867 30 40 GKEB COc1ccccc1/C=C/C=C(/C(=O)c1ccccc1)c1nc2ccccc2o1 1802925 ODQJZEPSVPREGJ-UFNFAHRUSA-N 381.431 5.816 30 40 GKEB CC(C)(C)C(/C=N/Cc1ccccc1)=N/Nc1c(Cl)cc(Cl)cc1Cl 4265482 SCMCBUZIKAGQOV-NACSPRHISA-N 396.749 6.732 30 40 GKEB Cc1c(C#N)c(N)n(-c2ccccc2Cl)c(=O)c1/N=N/c1ccccc1Cl 5536061 QIMCZGLSCRBDTK-OCOZRVBESA-N 398.253 5.322 30 40 GKEB CCOc1ccc(-c2n[nH]c(=S)n2/N=C/c2cccc(Cl)c2Cl)cc1 5900453 QWRMVDKTQPTDPE-KEBDBYFISA-N 393.299 5.195 30 40 GKEB O=C(/C(=N/N=C/c1ccccc1C(F)(F)F)c1ccccc1)c1ccccc1 12566245 TXADWIHHWXBCJN-FQXBNQDOSA-N 380.369 5.412 30 40 GKEB C=CCn1c(-c2ccc([N+](=O)[O-])cc2)cs/c1=N\c1c(C)cc(C)cc1C 16711527 KCPXJWKXLBHFPC-DQRAZIAOSA-N 379.485 5.468 30 40 GKEB O=C1/C(=N/c2ccc(Cl)nc2)C[C@@H](c2ccccc2)N1c1ccc(Cl)nc1 17146611 IEDHRGHUGCVFDC-XUANBZSPSA-N 397.265 5.034 30 40 GKEB Cc1ccc(N=C2O[P@](=O)(Nc3ccc(C)cc3)Oc3ccccc32)cc1 301054413 IRMJWRVBPJNKOB-MHZLTWQESA-N 378.368 6.011 30 40 GKEB C#CCOc1ccc2ccccc2c1[C@@H]1SCC(=O)N1c1ccc(Cl)cc1 408559891 WYGRJWXWGGHOHA-QFIPXVFZSA-N 393.895 5.284 30 40 GKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)Cc3ccc(Cl)cc3)c2C#N)C1 996544 LEEXKVKWHYDREO-CQSZACIVSA-N 386.948 5.605 30 40 GKEB C[C@@H]1CCc2c(sc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c2C#N)C1 4078792 PPIDBJOABOLVIO-SNVBAGLBSA-N 397.481 5.120 30 40 GKEB C[C@H](C#N)OC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(F)cc1)CCC2 6058495 VLJTYITVMGWZEF-OVGFGYAMSA-N 386.426 5.320 30 40 GKEB O=C(Oc1ccccc1/C=C1\Sc2ccccc2C1=O)c1cc2ccccc2o1 13306995 RFEYRNJFNKVMPG-HMAPJEAMSA-N 398.439 5.982 30 40 GKEB COc1ccc(CN/N=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1OC 20195934 VMXSWRQJSWBOKA-ZMOGYAJESA-N 384.863 5.049 30 40 GKEB CN1/C(=C/C=C\C=C/C=C2C(=O)c3ccccc3C2=O)C(C)(C)c2ccccc21 31870951 MGZOKNHCACVLNG-KOLOXMTRSA-N 381.475 5.416 30 40 GKEB O=C(/C=C\c1ccc(Cl)cc1Cl)c1ccc2ccc3ccccc3c2c1 33378793 KVODDEFJNWSKPM-BENRWUELSA-N 377.270 7.196 30 40 GKEB CCCCCCCCCCCc1nc2ccccc2n1Cc1ccccc1Cl 50861269 RDVGWFKZXZPFLB-UHFFFAOYSA-N 397.006 7.811 30 40 GKEB CC(C)(C)N(CC#CCC(O)(c1ccccc1)c1ccccc1)Cc1ccccc1 57234778 UPCKYCMGVDRUJI-UHFFFAOYSA-N 397.562 5.617 30 40 GKEB O=c1c(/C=N/Nc2nc(-c3ccccc3)cs2)coc2ccc(Cl)cc12 68734575 PXYDECRSTWPRFB-ZVBGSRNCSA-N 381.844 5.016 30 40 GKEB CCCCCCCCCCCCCCCCCCN1C(=O)CC(=O)NC1=O 100037913 HILVXHXQAMOFJV-UHFFFAOYSA-N 380.573 5.716 30 40 GKEB CCC[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]1(O)C#Cc1ccccc1 102673245 LIEJILKXNSLXJY-UNFRKHOWSA-N 395.546 5.661 30 40 GKEB CCn1c2ccccc2c2cc(/N=C/c3ccc(Oc4ccccc4)cc3)ccc21 102957296 MLJHXVFCLAJXPL-TURZUDJPSA-N 390.486 7.357 30 40 GKEB N#Cc1ccccc1COc1ccc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc1 408565049 BBNDEUFZJCMTOG-QHCPKHFHSA-N 397.434 5.027 30 40 GKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2ccc(Cl)cc2Cl)S1 408737324 BSRGMZFFBMERSC-CHHVJCJISA-N 397.714 5.847 30 40 GKEB Cc1cc(N(c2ccccc2)c2ccccc2)cc(C)c1B1OC(C)(C)C(C)(C)O1 604335861 BPTUDFFFMNLSQW-UHFFFAOYSA-N 399.343 6.072 30 40 GKEB Cc1ccc(-c2nc3cc(/N=C/c4c(Cl)cccc4Cl)ccc3o2)cc1 2053659 YPRKQYGICHCKIX-WYMPLXKRSA-N 381.262 6.861 30 40 GKEB Clc1ccc(/N=N/C(=N\Nc2nc3ccccc3s2)c2ccccc2)cc1 4793602 VTSWOWXBFGXRDX-RCDUIJEOSA-N 391.887 6.507 30 40 GKEB CCc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2cccs2)cc1 4863785 PMWLUZUSRGXSDM-CCEZHUSRSA-N 384.504 6.059 30 40 GKEB N#CC1(c2ccccc2)CCC2(CC1)Nc1ccccc1C(=O)N2Cc1ccco1 9885613 ZCTTUJGTAVQVHI-UHFFFAOYSA-N 397.478 5.079 30 40 GKEB O=C1/C(=C/c2c(Cl)cccc2Cl)Oc2cc(OCc3ccccc3)ccc21 13759270 DEGWVGIKIUWQOX-MTJSOVHGSA-N 397.257 6.189 30 40 GKEB CCc1ccc(/C=C2\Oc3cc(OC(=O)c4cccs4)ccc3C2=O)cc1 13776599 NNCLKSPDVUMSRI-UNOMPAQXSA-N 376.433 5.146 30 40 GKEB O=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1ccc(C(F)(F)F)cc1 17124114 HDZNSWJRJJAEEI-OVCLIPMQSA-N 382.381 6.181 30 40 GKEB COc1ccccc1CN/N=C/c1cc(C)n(-c2cc(Cl)ccc2C)c1C 20762553 YBHDOKKKADLHNV-AFUMVMLFSA-N 381.907 5.188 30 40 GKEB Cc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(N3CCOCC3)n2)cc1 24980463 MGHYRAFVJIZNGH-UHFFFAOYSA-N 389.886 5.086 30 40 GKEB CC(C)=NNc1nc2cc(C)c(NC(=O)c3ccccc3Cl)c(C)c2s1 72228596 AFDVTCXGHSYRNW-UHFFFAOYSA-N 386.908 5.627 30 40 GKEB CCCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(OC)cc1)C2 97939890 VPJLOADVTAJGRE-GOSISDBHSA-N 397.515 5.372 30 40 GKEB O=C(NCc1ccccc1)c1c(/N=C/c2cccs2)sc2c1CCCC2 103752369 UYZDDWHZKHALQO-OEAKJJBVSA-N 380.538 5.369 30 40 GKEB CCCCCCCCCCCCCCCc1cc(O)ccc1S(=O)(=O)O 104321765 WPAPMBOMLGJWMJ-UHFFFAOYSA-N 384.582 6.273 30 40 GKEB CCCCCCCCCCCCCCCCCC1=NC(C)(C)CN1CCO 104326558 HRLDXKYLDOLMBF-UHFFFAOYSA-N 380.661 6.733 30 40 GKEB COc1cc(/C=N/c2ccc(C)cc2)ccc1OCc1ccc(C(=O)O)cc1 141134064 BYSYFJOSCWYMQR-ZVHZXABRSA-N 375.424 5.031 30 40 GKEB CN(C)/N=C(\COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccccc1 408734093 IZHLWFBZOMNLOX-IMVLJIQESA-N 388.555 5.499 30 40 GKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N\c3ccc(OC)cc3)c2C)c1 408963788 AURCRKKDEAXUKN-IWIPYMOSSA-N 376.456 5.030 30 40 GKEB CCc1ccccc1-n1c(C)cc(/C=N/c2ccc(Br)c(C)c2)c1C 408965054 FVEHPEZGALECIK-ZVHZXABRSA-N 395.344 6.478 30 40 GKEB O=C1CCCC2=C1C(c1ccccc1O)C1=C(CCCC1=O)N2Cc1ccccc1 409034259 QBUSHQUJILXGBY-UHFFFAOYSA-N 399.490 5.006 30 40 GKEB COc1cccc(/C=N/c2ccc3oc(-c4ccc(N(C)C)cc4)nc3c2)c1O 826373 RSVDARUVBZWMNP-ZVHZXABRSA-N 387.439 5.026 30 40 GKEB C=CCN1C(=O)/C(=C/c2ccc(-c3ccc(F)c(Cl)c3)o2)SC1=S 1204334 MFLLEXMFOVLNIJ-DHDCSXOGSA-N 379.865 5.126 30 40 GKEB C=CCn1c(SCc2cccc(C)c2)nc2sc3c(c2c1=O)CCCC3 2336182 UPRNFPSOQSBLKQ-UHFFFAOYSA-N 382.554 5.124 30 40 GKEB Cc1ccccc1N/N=C(\C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 4175318 MTMQELKBLMNMEW-XAYXJRQQSA-N 394.503 6.125 30 40 GKEB C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N/N=C(\C)c1ccc(C)cc1 4476799 GBNBHFMOEJBBTF-RCQQXULQSA-N 381.932 5.689 30 40 GKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccccc3Cl)c2C#N)C1 4673422 RHCRPXFKSSQNHV-CYBMUJFWSA-N 386.948 6.067 30 40 GKEB CCOc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(Cl)cc1 4740357 XGBYBQAXVDOLRX-QOVDMSNSSA-N 382.891 5.492 30 40 GKEB O=C1/C(=N\OCc2ccc(Cl)cc2Cl)c2ccccc2N1c1ccccc1 5483752 ATYBRMWLHOMDFB-GFMRDNFCSA-N 397.261 5.593 30 40 GKEB C=CCOc1cc(Br)c(/C=N/Nc2ccc(C)cc2)cc1OCC 5651952 KWNWXZHPERGWED-FYJGNVAPSA-N 389.293 5.167 30 40 GKEB Fc1c(F)c(F)c(N/N=C/c2cccc(OCc3ccccc3)c2)c(F)c1F 6927463 XVWAILMYYOSIDQ-NSKAYECMSA-N 392.327 5.407 30 40 GKEB Cc1ccc(C)c(/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)c1 8368030 OFLWWKHPFUMKHC-DHRITJCHSA-N 384.306 6.940 30 40 GKEB C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@@H]1c1cccs1 9578853 BZHDWIGTAULBAA-RHSMWYFYSA-N 399.585 5.114 30 40 GKEB C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1ccc(C)cc1)c1ccc(C)cc1 59459525 UZMMRJKAEDTMKT-IVLOEBTASA-N 397.522 5.071 30 40 GKEB C=CCCCCCCCCc1n[nH]c(SCCCCCCCCCC)n1 97951187 FODKUKHOVAGYBO-UHFFFAOYSA-N 379.658 7.497 30 40 GKEB Cc1cc(/N=C/c2cc([N+](=O)[O-])ccc2O)cc2nc(-c3ccc(F)cc3)oc12 102414076 GAMXTAFUOPUWSY-FOKLQQMPSA-N 391.358 5.307 30 40 GKEB CCCCCCCCOC(=O)C[N+](C)(C)CCO[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C 102899797 KTMOLWBNBDAXBS-IMSXRSKXSA-N 396.636 5.198 30 40 GKEB CCCCCCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)F 103526089 LWMHUJCVVKAKSQ-UHFFFAOYSA-N 394.459 8.691 30 40 GKEB C=C(C)[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO[C@H]1c1ccccc1CC 257325103 WRMPJNGRYAMKQZ-VXKWHMMOSA-N 399.575 5.920 30 40 GKEB C=CCc1cc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)ccc1OC 408743403 STWAIULCWYTVQY-SFQUDFHCSA-N 397.268 5.168 30 40 GKEB C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccncc2)S/C1=N\c1ccccc1 408850492 OCTCQWCMLNVXAR-DFBOOAIOSA-N 377.513 5.264 30 40 GKEB O=[N+]([O-])c1cccnc1N/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1 409069286 IHOUCPOQEOSUOA-CIAFOILYSA-N 384.848 5.240 30 40 GKEB Cc1cccc(/N=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc2)c1C 409199783 DVOJZNFANSJLBU-OEAKJJBVSA-N 399.899 5.475 30 40 GKEB Cc1ccc(/N=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1Cl 409210126 IJWJRVFZQUREQQ-YDZHTSKRSA-N 380.831 5.886 30 40 GKEB C=CCOc1cccc(/C=C2/SC(=S)N(c3ccc(OCC)cc3)C2=O)c1 409327997 OZMSOIZXULDRAY-XMHGGMMESA-N 397.521 5.056 30 40 GKEB Oc1c(Cl)cc(Cl)cc1/C=N/c1ccccc1-c1nc2ccccc2o1 809269 YUPFPLABBWPHJE-FOKLQQMPSA-N 383.234 6.258 30 40 GKEB O=C(c1ccccc1)c1cc(Br)ccc1/N=C/c1ccccc1O 1470839 LNZUWJPUMJSHIF-LPYMAVHISA-N 380.241 5.136 30 40 GKEB C=CCc1nc2c(c(=O)n1-c1ccccc1)C1(CCCCC1)Cc1ccccc1-2 2117670 OWOUBKIVAKDFSV-UHFFFAOYSA-N 382.507 5.386 30 40 GKEB C[C@@H]1Oc2ccccc2C=C1/C=N/Nc1ncnc2scc(-c3ccccc3)c12 2216603 XWOJXJNIRZDCOF-PZIWGWIQSA-N 398.491 5.621 30 40 GKEB C=CCn1c(SCc2cc(=O)oc3cc(C)ccc23)nnc1C1CCCCC1 3301397 YJLOMRWLQSBXFF-UHFFFAOYSA-N 395.528 5.219 30 40 GKEB CC/C(=N\NC(=S)Nc1cccc(Cl)c1C)c1ccc(OC(F)F)cc1 5416425 FJTYXRVJBYRLKJ-HZHRSRAPSA-N 397.878 5.351 30 40 GKEB COc1ccc(/C=C/C(=O)c2ccc(-c3ccc(Br)cc3)cc2)cc1 6581614 QZEBEFHPJVCIBA-SYZQJQIISA-N 393.280 6.021 30 40 GKEB CCOC1=CC(=C2C=CC(=O)C=C2)C=C(Nc2cccc(C)c2)c2c(C)oc(C)c21 6783942 OIKNHWJHVSVEHD-UHFFFAOYSA-N 399.490 6.041 30 40 GKEB C[C@H](NC(=O)c1ccccc1-c1ccccc1C#N)c1cccc(C(F)(F)F)c1 14632797 VCXWQJIPHDASSM-HNNXBMFYSA-N 394.396 5.735 30 40 GKEB CCCCc1ccc2nc(C)cc(N/N=C\c3ccc(OC)c4ccccc34)c2c1 17127106 OSUMYXSZNVQXJY-PKAZHMFMSA-N 397.522 6.494 30 40 GKEB CSc1nc(N[C@H](C)c2ccccc2)c(C#N)c(-c2ccc(Cl)cc2)n1 19820528 RNXCACIQWFMABA-CYBMUJFWSA-N 380.904 5.564 30 40 GKEB C=C(C)C[C@H]1N[C@H]2CC(C)(C)[C@H]1c1c(Br)ccc(Br)c12 100011377 LQZVTORZIAYQLZ-DVOMOZLQSA-N 399.170 5.704 30 40 GKEB COc1ccc(/N=C/c2cc3c(cc2Cl)N(C)C(C)(C)C[C@@H]3C)cc1Cl 198081841 KLQGJLZHNCFMIB-ZGUVFNMESA-N 391.342 6.475 30 40 GKEB Cc1cccc(Cn2cc(/C=N/Nc3ccc([N+](=O)[O-])cc3)c3ccccc32)c1 409002433 ZVSFXFNDVFCFPK-ZVHZXABRSA-N 384.439 5.352 30 40 GKEB C=CCn1c(C)c(/C=N/CCNc2cccc3ccccc23)c2cc(C)ccc21 409040384 TZGJKRYAVLLJNG-OVVQPSECSA-N 381.523 6.128 30 40 GKEB C=CCOc1c(Br)cc(CNc2cc(C)ccc2C)cc1OC 409119687 QBASRJJLZAQPPT-UHFFFAOYSA-N 376.294 5.251 30 40 GKEB Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2C)cc1 1077604 BATTWXKCODIJDU-NFQMXDRXSA-N 394.518 6.283 30 40 GKEB O=C(c1ccccc1)c1cc(Br)ccc1/N=C/c1ccccc1Cl 1884619 YFLQFDZXESLSSH-YDZHTSKRSA-N 398.687 6.084 30 40 GKEB CCCCCCCn1c(=O)c(C(=O)Nc2cccc(F)c2)c(O)c2ccccc21 2291798 SBXHDLZLGGLGOV-UHFFFAOYSA-N 396.462 5.069 30 40 GKEB C=CCOc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 2371205 GZRMGMYHQLXFJM-ATVHPVEESA-N 387.913 5.311 30 40 GKEB Cc1cc(C)c2oc(-c3cccc(/N=C/c4ccc(Cl)cc4Cl)c3)nc2c1 3094520 NCBSTXLDFKINAJ-BRJLIKDPSA-N 395.289 7.169 30 40 GKEB CC[C@@]1(C)Oc2ccccc2[C@H]2O[C@](C)(C#CC[N+]3(C)CCCCC3)CC[C@@H]21 4311365 RMPGUSXNDYXSIL-KVZCNWPJSA-N 382.568 5.108 30 40 GKEB Cc1cc(SCc2cccc3ccccc23)n2c(nc3ccccc32)c1C#N 4403355 OUSWEJJHUBZQFR-UHFFFAOYSA-N 379.488 6.113 30 40 GKEB O=C1C=C(c2ccccc2)C(=O)[C@@]2(c3ccccc3)C=CC[C@@H](c3ccccc3)[C@@H]12 5203198 BMIREVXEZWIFLP-PAUTXSKSSA-N 390.482 5.520 30 40 GKEB Cc1cccc(C)c1/N=C1\NC(=S)N(c2ccc(Cl)cc2)C12CCCC2 5705423 BZOJEGOGQIOPKH-UHFFFAOYSA-N 383.948 5.694 30 40 GKEB CCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)O 8214640 OTKWLUKIHNEGIG-UHFFFAOYSA-O 399.640 5.135 30 40 GKEB in-man CC(C)c1ccc(/C=C/C(=O)c2ccc(OC(=O)c3ccccc3F)cc2)cc1 33620204 MMQPLJSQCHKWEQ-CXUHLZMHSA-N 388.438 6.064 30 40 GKEB CCc1ccc(/N=C/c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)cc1 59302930 OWAQTLVQDYXPRM-ZMOGYAJESA-N 380.875 5.759 30 40 GKEB CCCCCCn1c2ccccc2c2nnc(N/N=C/c3sccc3C)nc21 64981588 KGPFKVFTAHHWHY-HYARGMPZSA-N 392.532 5.376 30 40 GKEB FC(F)(F)c1nc(C(F)(F)F)c(C(F)(F)F)c(Cl)c1C(F)(F)F 97949895 VMWOQQBRYHPDOH-UHFFFAOYSA-N 385.535 5.810 30 40 GKEB O=C1/C(=N\Nc2cc(Cl)ccc2Cl)c2ccccc2N1c1ccccc1 100327187 ZDFFTLGLNOMTTD-CLCOLTQESA-N 382.250 5.488 30 40 GKEB CC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 408779258 CMSRGPHBFZXIIT-YDZHTSKRSA-N 395.300 5.810 30 40 GKEB O=C(/C=C/Sc1c(Cl)c(Cl)nc(Cl)c1Cl)c1ccccc1 6927247 JKLAFAOODFCBPC-VOTSOKGWSA-N 379.095 6.184 30 40 GKEB CC(C)(C)c1ccc(-c2nc(SCc3ccccc3F)nc(O)c2C#N)cc1 11999919 FOCSUJGRAYVLQU-UHFFFAOYSA-N 393.487 5.450 30 40 GKEB C=CCn1c(COc2cccc(C)c2C)nnc1SCc1ccc(C)cc1 14126695 ROJFOZGMNUCNAS-UHFFFAOYSA-N 379.529 5.261 30 40 GKEB Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C)cc2)cc1 18182634 KZEMHAYHFISAOW-KDYSTLNUSA-N 394.518 6.283 30 40 GKEB O=C1CCCc2cc(-c3csc(N/N=C/c4ccccc4Cl)n3)ccc2N1 48355527 DCZZLFBFABSTOC-SSDVNMTOSA-N 396.903 5.184 30 40 GKEB Cc1ccc(-c2c(C(=O)/C=C/c3ccccc3F)c(=O)[nH]c3ccccc23)cc1 95945158 PNDCVALQDMZPAD-CCEZHUSRSA-N 383.422 5.539 30 40 GKEB C=CCN1C(=O)S/C(=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@H]3C)C1=O 260565727 JRYQURGDJAVXII-SDLDRHLBSA-N 398.572 5.718 30 40 GKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc(N4CCCCC4)o3)c2C#N)C1 409087156 AUIREHLKOALORY-FYHAJLKWSA-N 395.572 6.105 30 40 GKEB Cc1ccc(/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1Cl 409228892 GRVDUCGDONSJGC-WGARJPEWSA-N 376.862 6.541 30 40 GKEB C=CCn1c(=S)[nH]c2scc(-c3ccc(Oc4ccccc4)cc3)c2c1=O 707074 TXTGCTKPQONCMX-UHFFFAOYSA-N 392.505 5.766 30 40 GKEB CCCN1C2=C(C(=O)CCC2)[C@@H](c2ccc(F)cc2)C2=C1c1ccccc1C2=O 809902 JCMQRYJFBKDEJP-OAQYLSRUSA-N 387.454 5.250 30 40 GKEB O=C1C2=C(Nc3ccccc3S[C@H]2c2ccccc2Cl)c2ccccc21 2420612 QONOCFSDGCFEPR-QFIPXVFZSA-N 375.880 6.207 30 40 GKEB CCOc1ccc(C(=O)C2=C3SC=C(c4ccccc4)N3CCCC2)cc1 3235367 OFPIWBXTLQWXNG-UHFFFAOYSA-N 377.509 5.711 30 40 GKEB O=C1/C(=N\OCc2ccc(Cl)c(Cl)c2)c2ccccc2N1c1ccccc1 4013160 IEJKTPALNPURML-GFMRDNFCSA-N 397.261 5.593 30 40 GKEB COc1ccc(/C=N/Nc2nc(-c3ccccc3)c3cc(C)ccc3n2)c(OC)c1 4075699 OVUOEVPBKNCEKY-MFKUBSTISA-N 398.466 5.068 30 40 GKEB CC(C)(C#CCN1CCCCC1)OCCOC(c1ccccc1)c1ccccc1 4174253 NDBWIVOTAIDHPM-UHFFFAOYSA-N 391.555 5.077 30 40 GKEB Cc1nn(-c2ccccc2)c2c1C1=C(C(=O)CC(C)(C)C1)[C@H](c1ccc(O)cc1)N2 16266243 FJWGBJZIHNDUET-QHCPKHFHSA-N 399.494 5.196 30 40 GKEB Clc1ccc(C#CCSc2nc(-c3cccc4ccccc34)no2)cc1 25185560 WKUOYBKOGANLLZ-UHFFFAOYSA-N 376.868 5.687 30 40 GKEB C=C(C)COc1ccc(-c2[nH]nc(C)c2-c2ccc(Br)cc2)c(O)c1 96781098 AVGNSIGKRDWKBJ-UHFFFAOYSA-N 399.288 5.475 30 40 GKEB C=CCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(C)cc1 224683271 BDMUGAJXHINMFT-UHFFFAOYSA-N 379.481 5.169 30 40 GKEB COc1cc(/C=N\c2ccc(C)cc2C)ccc1OCc1cccc(C(=O)O)c1 408852883 NXMMCWALUZJHNT-QFEZKATASA-N 389.451 5.340 30 40 GKEB Cc1ccc(/C=N/c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)s1 681066 VEMKEKSTSZFIOW-SSDVNMTOSA-N 389.307 6.366 30 40 GKEB CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@H]2c1ccc(Cl)cc1)OCO3 816103 PWIFEWLCUISRPA-HXUWFJFHSA-N 381.859 5.269 30 40 GKEB Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(F)c2)cc1 1076900 WJALYJZEKZQZGL-AFMDSPMNSA-N 398.481 6.114 30 40 GKEB CCCCCCCOc1ccccc1/C=C1\N=C(c2ccccc2F)OC1=O 2289590 UEGJXTZPGOXDQB-SILNSSARSA-N 381.447 5.519 30 40 GKEB Cc1ccc(-n2c(Cc3cccc4ccccc34)nnc2SCC#N)c(C)c1 3345564 LYRWKCYKXGTNJN-UHFFFAOYSA-N 384.508 5.244 30 40 GKEB CCOc1ccc(/N=C/c2ccc(OCc3ccc(C)cc3)c(OCC)c2)cc1 6962546 YAVZMJNBKIMBCY-YZSQISJMSA-N 389.495 6.122 30 40 GKEB C=C(C)COc1ccc2c(c1)O/C(=C/c1cn(CC)c3ccc(OC)cc13)C2=O 8764922 HPGPYLPDGQHDSR-AUEPDCJTSA-N 389.451 5.241 30 40 GKEB biogenic C/C(=N\Nc1ncnc2sc(-c3ccccc3)cc12)c1cccc2ccccc12 14361015 VNUQRFWCQIBFCW-JVWAILMASA-N 394.503 6.348 30 40 GKEB CSc1nc(Nc2ccc(N3CCCC3)cc2)c(C#N)c(-c2ccccc2)n1 19820796 FRKBBESEMALKKX-UHFFFAOYSA-N 387.512 5.081 30 40 GKEB Fc1ccccc1/C=N/Nc1nc(-c2ccc(Br)cc2)cs1 33377262 ZIXCDMBOZAUTCY-DJKKODMXSA-N 376.254 5.158 30 40 GKEB OC1=NC(=N\c2cccc(F)c2)/C(=C\c2cccc(Oc3ncccn3)c2)S1 95474705 JPHKCDWABNBNGL-GZTJUZNOSA-N 392.415 5.140 30 40 GKEB C=CCN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1ccc2ccccc2c1 225066893 QISHSQXNDDNYTD-UHFFFAOYSA-N 381.497 5.008 30 40 GKEB CCCCCCCCOc1ccc(C(=O)Nc2cc(OC)ccc2OC)cc1 408586673 OSKNULUFSXXGPB-UHFFFAOYSA-N 385.504 5.695 30 40 GKEB CCOc1ccc(-n2c(C)cc(/C=N\c3cc(C(=O)O)ccc3C)c2C)cc1 409186383 BFZYOSCBRSHQRJ-OYKKKHCWSA-N 376.456 5.250 30 40 GKEB CCCC(=O)C1=C(Nc2ccc3ccccc3c2)C[C@H](c2ccccc2)CC1=O 721594 ZSKGYVWJEFWBIQ-NRFANRHFSA-N 383.491 6.022 30 40 GKEB C[C@]12OC(c3ccccc3)=CC(c3ccccc3)=C1C(c1ccccc1)=CC2=O 2146335 HGPNGXFIZUYUNC-HHHXNRCGSA-N 376.455 5.937 30 40 GKEB C=C[C@](C)(CC[C@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)OC(C)=O)OC(C)=O 4680692 JRCDNYSMCYLMMV-KHFRZORUSA-N 392.580 5.839 30 40 GKEB biogenic Cc1ccccc1CN1C(=O)[C@@H](C)S/C1=N/N=C/c1cccc2ccccc12 4914715 MPHAHWLFVVSQTN-TXINLPKESA-N 387.508 5.002 30 40 GKEB COc1ccc([C@H]2C[C@@H]2/C(C)=N/OC(=O)c2c(Cl)cccc2Cl)cc1 12350551 XRJJONMYLWJZHS-NSMLUJKXSA-N 378.255 5.338 30 40 GKEB COc1ccc([C@H]2C3=C(CCCC3=O)Nc3c2ccc2ccccc32)cc1OC 12371282 FULVUKFWGMCSLL-HSZRJFAPSA-N 385.463 5.422 30 40 GKEB CC(=O)N(c1nc(/C=C/C(=O)c2ccc(F)cc2)cs1)c1cccc(C)c1C 12974609 LCFZNWIHFGBTQL-VAWYXSNFSA-N 394.471 5.480 30 40 GKEB CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1 20503295 HEALUKCCTYDROI-QHCPKHFHSA-N 378.472 5.367 30 40 GKEB Cc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)cc1 100141114 HPZRBAHNBPKWMK-QQXSKIMKSA-N 388.536 5.616 30 40 GKEB O=C1N(c2ccccc2)/C(=N/C2CCCCC2)[C@H](N2CCCC2)C12CCCCC2 101377432 YGNWNEQAEDFGTD-WWCBRRATSA-N 393.575 5.179 30 40 GKEB C=C(C)COc1cccc(C(=O)NCCSCc2c(F)cccc2Cl)c1 219780142 JCMAVHYUIBAXCA-UHFFFAOYSA-N 393.911 5.097 30 40 GKEB Cc1ccc(C)c(Oc2c(N)cc(C#N)n2Cc2ccc(Cl)cc2Cl)c1 225885308 ILIJNMKLZRQNLE-UHFFFAOYSA-N 386.282 5.706 30 40 GKEB CCCCCCCCCCCC(=O)Nc1cccc(NC(=O)c2ccccc2)c1 408670654 IXDYUDIPUYXDLQ-UHFFFAOYSA-N 394.559 6.798 30 40 GKEB CCN(CC)c1ccc(/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 408754633 OBQDWAIUCATFNL-PCLIKHOPSA-N 379.935 6.344 30 40 GKEB Cc1cccc2c(/C=N\Nc3c(F)c(F)c(F)c(F)c3F)c(C)n(C(C)C)c12 409048482 WVVPTWKKRGOMAS-KJJARBMXSA-N 395.375 5.981 30 40 GKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc(N4CCCC4)cc3)c2C#N)C1 409062547 WOMXXMXFCQTXQG-PMFZIYJTSA-N 391.584 6.122 30 40 GKEB Cc1cccc(/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)c1C 409210533 KSSLLSVDNKPRFH-ZVHZXABRSA-N 394.312 6.396 30 40 GKEB C=CCn1c(SCc2ccccc2)nc2sc3c(c2c1=O)C[C@H](C)CC3 2314925 KSTBRDRVYYXSNC-CQSZACIVSA-N 382.554 5.061 30 40 GKEB COc1ccc(/C=C2\CCC/C(=C\c3ccc(-c4ccccc4)cc3)C2=O)cc1 5320647 HVKCBNUPZFNZJJ-SIHVKLMXSA-N 380.487 6.582 30 40 GKEB C(=N/c1ccc(NC2CCCCC2)cc1)\c1c2ccccc2nc2ccccc12 5338576 IVTAEAFBRYZIPH-OVVQPSECSA-N 379.507 6.883 30 40 GKEB CCc1ccc(/N=C2\SCCCN2C(=O)c2ccc(F)cc2Cl)cc1 7983200 PIOCWVXYFHNRNN-QOCHGBHMSA-N 376.884 5.308 30 40 GKEB Cc1ccc(/N=C2\SCCCN2C(=O)C[C@H]2C[C@H]3CC[C@H]2C3)cc1Cl 107447156 HKCSWAAPCVUUSP-XUKLHIRNSA-N 376.953 5.428 30 40 GKEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccccc1F)C2=O 118916371 GEMAOHATSXXMSE-GBGPYYFHSA-N 394.530 5.712 30 40 GKEB CCN1c2cc(C)c(/C=N/c3ccc(NC(C)=O)cc3)cc2[C@@H](C)CC1(C)C 198103046 XDGVXBWEAVKVQD-STPJHCLOSA-N 377.532 5.816 30 40 GKEB C[C@]12CCCC[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(O)C#Cc1ccccc1 253596851 WMAFYLBLTLVKOY-VIQQYPKZSA-N 376.584 6.202 30 40 GKEB C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1 253618102 REWKEGSQGOSEES-KTIXQQLVSA-N 398.587 6.010 30 40 GKEB COc1ccc(OC)c(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1 409092935 XYQNHXSHHHTEOK-GMJSKMFWSA-N 382.529 5.539 30 40 GKEB COc1cccc(C(=O)/C=C/Nc2ccc(Oc3ccccc3Cl)cc2)c1 409099626 OWYYOZQVXOFICE-BUHFOSPRSA-N 379.843 5.949 30 40 GKEB Brc1ccc(/C=N/c2ccc3nc(-c4ccccc4)[nH]c3c2)cc1 1055549 QOFYIMSYMSYNBL-LPYMAVHISA-N 376.257 5.743 30 40 GKEB COc1ccc(/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 1091597 YRBITBFCIKYLTO-LPYMAVHISA-N 383.289 5.616 30 40 GKEB COc1cc(CNc2sc3c(c2C#N)CCCCCCCCCC3)ccc1O 2060348 BHNKUYKEYPWLMU-UHFFFAOYSA-N 398.572 6.165 30 40 GKEB N#Cc1c(-c2ccccc2)cc(-c2ccc(F)cc2)nc1SCC(=O)C1CC1 2229651 MEMWTFQIQANCQX-UHFFFAOYSA-N 388.467 5.498 30 40 GKEB CC(=O)Nc1cc(Cl)c(/N=C/c2ccc(Cl)cc2Cl)cc1Cl 3151295 IPHHELDKMPYVAE-IFRROFPPSA-N 376.070 6.009 30 40 GKEB O=[N+]([O-])c1ccc(O)c(/C=N/c2cc(C(F)(F)F)ccc2N2CCCCC2)c1 3193795 ACSYBGZZQKCHTN-FSJBWODESA-N 393.365 5.060 30 40 GKEB C=CCN1C(=O)c2ccccc2[C@@H]1c1c(-c2ccc(F)cc2)[nH]c2ccccc12 4739944 YXSUIUWWHYVMFX-XMMPIXPASA-N 382.438 5.705 30 40 GKEB CCOc1ccc(NC(=S)N/N=C(\C)c2ccc(-c3ccccc3)cc2)cc1 4871718 FTLHNFLBSDIDSD-KOEQRZSOSA-N 389.524 5.463 30 40 GKEB CCc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1 8084664 OPOHOWPGBJEILI-MFKUBSTISA-N 392.886 5.671 30 40 GKEB Cc1ccccc1-n1c(C)cc(/C=N/NCc2c(Cl)cccc2Cl)c1C 9196416 IFWUKSQCHKCFQK-WYMPLXKRSA-N 386.326 5.833 30 40 GKEB CC(=O)Nc1sc(N/N=C\c2ccc(C(C)C)cc2)nc1-c1cccs1 31906051 PDBFIYVAZOJZMI-JAIQZWGSSA-N 384.530 5.399 30 40 GKEB CCCCOc1ccc(C(=O)/C=C/Nc2ccc(OC(F)(F)F)cc2)cc1 44843211 QSNRGQFXPVTKSC-OUKQBFOZSA-N 379.378 5.573 30 40 GKEB CC(=O)c1ccc(/N=C2/c3ccccc3/C(=N/c3ccc(C(C)=O)cc3)N2C)cc1 103547834 VAEHJKJMRPYRST-DSOYXUETSA-N 395.462 5.194 30 40 GKEB C=C1[C@@H]2CC[C@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C2)[C@@H]1OC(=O)/C(C)=C/C 104260672 VONUYFLABDZCHJ-ZCFDUYJHSA-N 386.576 5.434 30 40 GKEB CCOc1ccc2ccccc2c1/C=C1\SC(=N)[C@H](c2nccs2)C1=O 137430912 SHTQKLJHUJKUKX-IZDDVYCDSA-N 380.494 5.113 30 40 GKEB C=CCOc1cccc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)c1 409339805 YRMZDSBCVCCGNK-CPNJWEJPSA-N 381.522 5.274 30 40 GKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)Cc3ccc(Cl)cc3)c2C#N)C1 996543 LEEXKVKWHYDREO-AWEZNQCLSA-N 386.948 5.605 30 40 GKEB Cc1cccc(CO/N=C/c2c(-c3ccccc3)nc3ccc(Cl)cn23)c1 4024642 SJRTZWLBIYLPGL-ZMOGYAJESA-N 375.859 5.514 30 40 GKEB Cc1ccc(-c2csc(/C(C#N)=N/Nc3cc(Cl)cc(Cl)c3)n2)cc1 4175487 ALVBTWALJIYKAH-LFVJCYFKSA-N 387.295 5.765 30 40 GKEB Cc1cc(C)c2nc(N(Cc3ccccn3)C(=O)c3ccc(C#N)cc3)sc2c1 5265307 LUAODVCNHFHTPC-UHFFFAOYSA-N 398.491 5.027 30 40 GKEB Cc1ccc(/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c(C)c1 5542267 KNDXQSDPRVJISS-LPYMAVHISA-N 391.383 5.663 30 40 GKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 5758797 GWOSBUGZGFVDDS-LKGWFGLDSA-N 398.631 6.776 30 40 GKEB biogenic Cc1ccsc1/C=C1\Oc2cc(OC(=O)c3ccccc3Cl)ccc2C1=O 13758265 AJAUNWQFMXIPSA-WQRHYEAKSA-N 396.851 5.545 30 40 GKEB O=C(/N=C(\N=C(\c1ccccc1)N1CCCCC1)c1ccccc1)c1ccccc1 18208701 SYIHPIKZKVSORJ-AIBSEEBTSA-N 395.506 5.206 30 40 GKEB CCCCCCCCCCCC(=O)Nc1nc(-c2cc(C)ccc2C)cs1 97944214 HQGYTWRJKHPGMR-UHFFFAOYSA-N 386.605 7.286 30 40 GKEB CCCCCCCCOc1ccc(/C=N\c2ccc(C(=O)OCC)cc2)cc1 100168245 HEHSIUWUXKPFCK-PLRJNAJWSA-N 381.516 6.353 30 40 GKEB CCCCCCCCCCOc1ccc(C(=O)NCCc2ccccc2)cc1 408718584 DCAYFCRONNIKHJ-UHFFFAOYSA-N 381.560 6.179 30 40 GKEB COC(=O)c1cc(/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)ccc1Cl 408738002 HQIFZZRMNWOIDD-ZMOGYAJESA-N 380.875 5.593 30 40 GKEB CCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 408763089 RDYUCXRSEUJMDL-ZVHZXABRSA-N 380.875 5.675 30 40 GKEB COc1ccc(/N=C\c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)cc1 408853495 OTIKWIZALDTSIQ-FMCGGJTJSA-N 382.847 5.205 30 40 GKEB Cc1ccc(/N=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1C 409219002 ZLILGXZNFQGTOI-LQKURTRISA-N 399.921 7.440 30 40 GKEB CC(C)(C)Oc1cccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)c1 1531383672 OUZLIXFQLFKGKL-YZSQISJMSA-N 397.478 5.123 30 40 GKEB C=C(C)[C@H]1C[C@H](c2ccc(C)cc2)[C@H](C)O[C@@H]1c1cccc(F)c1OCC(=O)O 2037875203 LQYRQXCHTLWKMS-YLTWVVNKSA-N 398.474 5.424 30 40 GKEB Cc1cccc([C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)c1 1059347 VDKGDFVHPHDGSE-ZLNRFVROSA-N 395.506 5.012 30 40 GKEB Cc1ccn2c(/C=N/OCc3cccc(F)c3)c(-c3ccc(Cl)cc3)nc2c1 4024653 HVFWLCCZBLOLKI-DHRITJCHSA-N 393.849 5.653 30 40 GKEB COc1ccc(/N=C/C=C(/Nc2ccc(OC)cc2)c2ccc(Cl)cc2)cc1 6713288 TWARHCROYGEYOZ-VZCAVXRFSA-N 392.886 6.213 30 40 GKEB CCOc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc(F)cc2)cc1 6962395 CIAGWCRRODEUFC-AFUMVMLFSA-N 383.850 6.207 30 40 GKEB C[C@H]1CCCC[C@@H]1n1c(SCc2ccc(C#N)cc2)nnc1-c1cccnc1 8887046 IHQPLTRJXYYUOZ-JXFKEZNVSA-N 389.528 5.255 30 40 GKEB CSc1nc(N[C@H]2CCCC[C@H]2C)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 19820432 SIQKRTXMYGQOET-BEFAXECRSA-N 394.588 6.025 30 40 GKEB O=C(/C=C/Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 32100217 MYKJECUQXYBJMC-OUKQBFOZSA-N 378.815 5.724 30 40 GKEB COc1cccc(/C=N\c2ccc(-c3nc4c(ccc5ccccc54)o3)cc2)c1O 100933726 KOUAJUMMCBXFLO-YSMPRRRNSA-N 394.430 6.113 30 40 GKEB CCCCCCCCCCN(CCOCCO)C(=O)Nc1cccc(Cl)c1 100934505 NZVJKTWWDLUWHO-UHFFFAOYSA-N 398.975 5.324 30 40 GKEB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CC/C2=N\N=C\C=C\c1ccccc1 245227334 CNATZRJRPIOVRF-FGHJCUFUSA-N 398.550 6.389 30 40 GKEB O=[N+]([O-])c1cccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1O 409104161 FXXTUNWKLPTUQR-ZVHZXABRSA-N 376.456 5.519 30 40 GKEB Cc1ccc(/N=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1C 409203768 XWDHNSFZQOZGDV-LPYMAVHISA-N 391.383 5.663 30 40 GKEB Cc1ccc(-c2oc(/N=C/c3ccccc3O)c(C#N)c2-c2ccc(C)cc2)cc1 409363800 VEPLTJIMIMHXGL-LQKURTRISA-N 392.458 6.558 30 40 GKEB O=[N+]([O-])c1cc(/C=N/c2ccc(Nc3ccccc3)cc2)ccc1Br 3092402 JFHYNWUWHGYAOP-FYJGNVAPSA-N 396.244 5.852 30 40 GKEB C=CCc1c(/C=C/c2ccccc2)nc2ccc(Br)cc2c1Cl 4772575 KNSWGRJKDKHCOO-PKNBQFBNSA-N 384.704 6.550 30 40 GKEB O=C1C(=Cc2ccc(OCc3c(F)cccc3Cl)cc2)C(=O)c2ccccc21 5172531 AIGLYDICTSOFFN-UHFFFAOYSA-N 392.813 5.521 30 40 GKEB CC[C@H](C)Nc1c(Cc2ccc(C)cc2)c(C)c(C#N)c2nc3ccccc3n12 5249023 UBZBIMKORUSOQK-KRWDZBQOSA-N 382.511 5.777 30 40 GKEB C=C(C)CSc1cc(C(C)(C)C)nc2c(-c3ccc(Cl)cc3)c(C)nn12 5576330 JZRBNSFBUMZJRU-UHFFFAOYSA-N 385.964 6.324 30 40 GKEB CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccccc1 6959894 INFRVNAJOIDWTN-CVKSISIWSA-N 393.914 6.685 30 40 GKEB CCCOc1ccc(/C=C/C(=O)c2ccc(NC3=NCCCS3)cc2)cc1 7587247 YTOTZVHUISWWJT-AWNIVKPZSA-N 380.513 5.276 30 40 GKEB C[C@H]1CCc2c(sc(NC(=O)Cc3csc(-c4ccccc4)n3)c2C#N)C1 7995735 TYBYNSSRXXAIOD-ZDUSSCGKSA-N 393.537 5.049 30 40 GKEB Cc1ccc(/N=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 8372002 NPQZLRCNCMCZQB-FYJGNVAPSA-N 377.356 5.354 30 40 GKEB O=C1/C(=C/c2cccc(Cl)c2)Oc2cc(OC/C=C/c3ccccc3)ccc21 9531030 DZNVPUGBYIWFHU-ZYPUKPEJSA-N 388.850 6.048 30 40 GKEB COc1ccc([C@]2(CC/N=C/c3ccc(N(C)C)cc3)CCOC(C)(C)C2)cc1 13136593 FIVMSMFFNOEBKL-SUOUMBACSA-N 394.559 5.097 30 40 GKEB CCc1ccc(Nc2nc(SC)nc(-c3ccc(Cl)cc3)c2C#N)cc1 19820540 LOVNUOYOSJZUOD-UHFFFAOYSA-N 380.904 5.697 30 40 GKEB CCCCCCCCSc1cc(C(N)=S)cc(SCCCCCC)n1 68569545 MMTIEUSPYQLWRP-UHFFFAOYSA-N 398.707 6.841 30 40 GKEB biogenic N#Cc1cc(N)c(Cc2ccc(Cl)cc2)n1Cc1ccc(Cl)cc1Cl 225856661 ZWVOBYZEFFMIDF-UHFFFAOYSA-N 390.701 5.541 30 40 GKEB Cn1c(N/N=C/c2cn(Cc3ccccc3)c3ccccc23)nc2ccccc21 4114755 UBXDFWLPZIARNE-MFKUBSTISA-N 379.467 5.022 30 40 GKEB COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3ccc4ccccc4c32)cc1OC 4930183 VJJZIFIDOGMFEE-QHCPKHFHSA-N 385.463 5.422 30 40 GKEB C=CCOc1c(Br)cc(Br)cc1/C=N/c1ccccc1 5283135 CFWIUJSFDBBPGO-YBFXNURJSA-N 395.094 5.527 30 40 GKEB C[C@@H](C#N)Sc1nnc(-c2ccc(Cl)cc2Cl)n1C1CCCCC1 6585278 DHQBILYMWDKISZ-NSHDSACASA-N 381.332 5.761 30 40 GKEB Cc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(Cl)c(Cl)c1 12406355 XIRMLMISGPDSDB-GZLKSEPQSA-N 387.310 6.055 30 40 GKEB CCCN(CCC)Cc1c(O)ccc2c1O/C(=C\c1ccc(OCC)cc1)C2=O 20647907 FOBDWLMNYSWIHH-JCMHNJIXSA-N 395.499 5.029 30 40 GKEB O=C(O)c1cccc(/N=C/c2cc(/N=N\c3cccc4ccccc34)ccc2O)c1 23375067 SYNNFGPJSPTAGL-NUXATEGXSA-N 395.418 6.410 30 40 GKEB CCOc1c(Cl)cc(C(=O)Nc2sc3c(c2C#N)CCCC3)cc1Cl 27663177 YKOUNZIFSCQIOC-UHFFFAOYSA-N 395.311 5.456 30 40 GKEB FC(F)(F)c1cnc(N/N=C2\CCCC\C2=C\c2ccccc2)c(Cl)c1 35262889 YFUGJLPDOSNRKE-JBAWUIHTSA-N 379.813 6.179 30 40 GKEB Cc1cccc(/C=N/c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)c1 59246046 FVLPBQSKSQTGPR-BUVRLJJBSA-N 380.557 5.748 30 40 GKEB O=C1C(c2ccccc2)=C(Nc2ccc(Br)cc2)c2ccccc21 100944049 GHECBHRQPPRBHG-UHFFFAOYSA-N 376.253 5.626 30 40 GKEB CCCOC(=O)Nc1ccccc1/N=C1/CCC/C1=C\c1ccc(Cl)cc1 102827897 XWQOGTZBSYDUHU-AWCHSRFUSA-N 382.891 6.639 30 40 GKEB Cc1ccc(-c2ccc(/C=C/C(=O)n3cc(C#N)c4ccccc43)o2)cc1Cl 226362564 APVYEKYSDWDDAQ-PKNBQFBNSA-N 386.838 6.088 30 40 GKEB C[C@]12CCCC[C@H]1CC[C@H]1[C@H]2CC[C@@]2(C)C(=O)/C(=C/c3ccccc3F)C[C@H]12 253498453 OIEOFEFLLYWLLM-YEQFIVEGSA-N 380.547 6.821 30 40 GKEB C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1ccc(Cl)cc1 408817592 XYUKCYIFZYDWKP-UNOMPAQXSA-N 399.899 5.314 30 40 GKEB CN(CC1CCC2(CC1)OCCO2)c1ccc(/N=C\c2ccc(Cl)cc2)cc1 642880894 YOFADKQXVFLZLO-XYGWBWBKSA-N 398.934 5.460 30 40 GKEB Oc1ccccc1/C=N/c1cc(C(F)(F)F)ccc1Oc1cccc(F)c1 1032094 GFZYQKMEJHELRA-BRJLIKDPSA-N 375.321 6.093 30 40 GKEB Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(F)cc2)cc1 1076896 ZTFPMUGGAUJJRF-BCHFMIIMSA-N 398.481 6.114 30 40 GKEB O=C1C(Cl)=C(Cl)C(=NSc2ccc(Cl)cc2)C(Cl)=C1Cl 1782850 DIEGCWMXKLSNSP-UHFFFAOYSA-N 387.502 5.749 30 40 GKEB COc1ccc(-c2nc3cc(/N=C/c4ccc(Cl)cc4Cl)ccc3o2)cc1 3049797 ABMFRANAVZNRDC-WYMPLXKRSA-N 397.261 6.561 30 40 GKEB O=C(O)c1cccc(/N=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c1 3174362 XIHQBIIXGSNIHP-AFUMVMLFSA-N 385.398 5.127 30 40 GKEB Cc1cccc2cc(/C=C/C(=O)c3ccc(Br)cc3)c(Cl)nc12 4349938 PDIGXXGWSJSGOY-JXMROGBWSA-N 386.676 5.855 30 40 GKEB O=[N+]([O-])c1cccc(/C=N\c2ccc(O)c(-c3nc4ccccc4s3)c2)c1O 5380031 SMAHWWWUHZBGIN-NHDPSOOVSA-N 391.408 5.033 30 40 GKEB COc1cc(/C=C/c2nc(-c3ccc(Cl)cc3)cs2)ccc1OCC#N 20837225 CCNUDLXWTXXCLC-YCRREMRBSA-N 382.872 5.545 30 40 GKEB CCSC1=C(C(=O)c2ccccc2)C(=O)C[C@@H](c2ccc(Cl)cc2)S1 26896828 RXFWDJROXPIJSV-KRWDZBQOSA-N 388.941 5.935 30 40 GKEB C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(Cl)c(Cl)c1 65453267 JDDBGQKAIUGOGN-GFCCVEGCSA-N 395.311 5.405 30 40 GKEB C=C(C)[C@H](O)c1ccc2ccccc2c1-c1c([C@@H](O)C(=C)C)ccc2ccccc12 95611705 QGBNOLZBSXSVGL-NSOVKSMOSA-N 394.514 6.879 30 40 GKEB C(#C[C@@](Cc1ccccc1)(c1ccccc1)C1CCCCC1)CN1CCCCC1 96194496 XQEFZYKXDMKSHF-MUUNZHRXSA-N 385.595 6.237 30 40 GKEB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2/N=C\c1ccccc1 118917462 PSKHDAPOVCIOJR-XDJLQTKDSA-N 379.588 5.878 30 40 GKEB Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C\c2c(C)n(C)c3ccccc23)S1 408809881 ICHYWJWGMMDTKD-YBFXNURJSA-N 395.915 5.340 30 40 GKEB Fc1ccc(-c2ccc(/C=N/c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)o2)cc1 408915815 ZJEGUWJQEIMGAX-STBIYBPSSA-N 399.509 7.304 30 40 GKEB C=CCN1C(=O)S/C(=C/c2cc(Cl)c(O[C@@H](C)CC)c(OCC)c2)C1=O 409070144 XSTMUWIHDVFSFX-JASJWYONSA-N 395.908 5.138 30 40 GKEB C=CCn1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c2ccccc21 409131135 MAXBDQPKYWEXGI-DEDYPNTBSA-N 380.513 5.444 30 40 GKEB CCOc1ccc(-n2c(C)cc(/C=N/c3ccc(Br)cc3)c2C)cc1 409187039 LGHWTGTWNBEBTO-OEAKJJBVSA-N 397.316 6.006 30 40 GKEB COc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCc1ccc(F)cc1 409216967 QDGPPCYXORJUJB-DHRITJCHSA-N 383.850 6.126 30 40 GKEB O=C(C1=C2Sc3ccccc3N2C[C@@H](C(=O)c2ccccc2)C1)c1ccccc1 3648534 QGFTUSWBZIAHQN-IBGZPJMESA-N 397.499 5.596 30 40 GKEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccco2)cc1 4074977 TTXPQQKLSIZVJF-GYCJOSAFSA-N 386.451 5.268 30 40 GKEB C[C@H]1CCc2c(sc(NC(=O)C(c3ccccc3)c3ccccc3)c2C#N)C1 6199884 OAVBOSZXKMUFMO-INIZCTEOSA-N 386.520 5.515 30 40 GKEB CCCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(CC)cc1)C2 97940016 TVQIWNRCMAWWKS-FQEVSTJZSA-N 395.543 5.925 30 40 GKEB CCOc1ccc(N2Cc3ccccc3/C2=N\C(=S)Nc2ccccc2)cc1 102946692 DITJCZLTLDFZBR-YYDJUVGSSA-N 387.508 5.249 30 40 GKEB CN1/C(=C\C=C/C=C\C=C2C(=O)c3ccccc3C2=O)C(C)(C)c2ccccc21 104315868 MGZOKNHCACVLNG-VBBLTOCVSA-N 381.475 5.416 30 40 GKEB CC(C)COc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)c(C#N)c1 225761662 VQZHTOSWZRRWAS-UHFFFAOYSA-N 394.490 5.573 30 40 GKEB CCc1ccc(N=C2NC(=O)/C(=C\c3c(OC)ccc4ccccc34)S2)cc1 408759658 IVWCAMSJNCRDOL-KGENOOAVSA-N 388.492 5.302 30 40 GKEB CC[C@@H](C)c1ccc(/N=C/c2ccc(O)c(I)c2)cc1 408963040 LTZWXJGFCQTNRQ-ZGXHQARYSA-N 379.241 5.261 30 40 GKEB C#CCOc1c(Br)cc(CNc2ccc(C)c(C)c2)cc1OCC 409111629 DPJXOIWVKMQBJC-UHFFFAOYSA-N 388.305 5.089 30 40 GKEB Cc1ccc(Cl)cc1/N=C\c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 409200992 LAQDQCJOBMABBE-QRVIBDJDSA-N 380.831 5.886 30 40 GKEB CC(=O)Nc1c(C#N)c(-c2ccccc2)c(-c2ccccc2)n1C1CCCCC1 2060194 QKFRQNSVXQXLOV-UHFFFAOYSA-N 383.495 6.157 30 40 GKEB Cc1ccc(-c2nnc(SCc3ccc(C#N)cc3)n2-c2ccccc2)cc1 2453751 RBFGZAWYFIKGAR-UHFFFAOYSA-N 382.492 5.407 30 40 GKEB O=C1C=CC2=N[C@]34CCCC[C@H]3[C@H](c3ccccc3)C=C(c3ccccc3)N4C2=C1 4024540 LHJUMCYFYYQTPP-WCYRKSIYSA-N 392.502 5.491 30 40 GKEB biogenic CCOC(=O)[C@H]1C(=O)C=C(c2ccc(C)cc2)C[C@@H]1c1ccc(C(C)C)cc1 4119649 LNMJNVLTQYLSMM-ISKFKSNPSA-N 376.496 5.438 30 40 GKEB O/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 11951727 OMZSQVCIIMLERE-WSVATBPTSA-N 375.049 5.143 30 40 GKEB CN(C)c1ccc(/C=C2\CCC/C(=C\c3ccc(OC(F)F)cc3)C2=O)cc1 12524181 NUVKWJHNZFGASG-JSAVKQRWSA-N 383.438 5.574 30 40 GKEB O=C1C2=C(Nc3ccccc3S[C@@H]2c2c(F)cccc2Cl)c2ccccc21 18222319 ZQMYYDFBVVULQT-JOCHJYFZSA-N 393.870 6.346 30 40 GKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3ccccc3C)cc1)N2 59516414 FTINJCLLUCBYNR-WXJZPCGISA-N 378.519 6.881 30 40 GKEB N#C[C@H](C(=O)Cc1c(F)cccc1Cl)c1nc2cc(Cl)ccc2s1 97159066 DSKPYPPICDTKIN-LLVKDONJSA-N 379.243 5.161 30 40 GKEB CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1C#N 225685098 PVEFHCZNFBZYKW-UHFFFAOYSA-N 382.891 5.451 30 40 GKEB CC(C)N1C(=O)/C(=C\c2ccc(Br)o2)S/C1=N\c1ccccc1 408912864 RSMWQIVNNASHIA-ASAAXKBXSA-N 391.290 5.055 30 40 GKEB CC(C)(C)c1ccc(/N=C\c2cccn2-c2cccc(Br)c2)cc1 409015823 BPPQXXSIPKRLSV-HAHDFKILSA-N 381.317 6.288 30 40 GKEB C/C(=N\Nc1nc(C)c(C)s1)c1ccc(OCc2ccc(Cl)cc2)cc1 409053497 YWNBQTHQKQRZCC-OEAKJJBVSA-N 385.920 5.828 30 40 GKEB O=C(O)COc1ccc2ccccc2c1/C=N/c1ccc(Oc2ccccc2)cc1 409216585 MMGNAFYXHCXUGG-WGOQTCKBSA-N 397.430 5.846 30 40 GKEB Cc1ccc(Sc2ccc(/C=N/c3ccc(Br)c(C)c3)cc2)cc1 409229034 ISDAFZAFFYCYFM-OEAKJJBVSA-N 396.353 6.968 30 40 GKEB C=CCn1c(SCc2ccccc2Cl)nc2sc(C)c(C)c2c1=O 2220920 ZIDSMRLZFCWMQI-UHFFFAOYSA-N 376.934 5.207 30 40 GKEB C(=N/Nc1nc2ccccc2o1)\c1cn(-c2ccccc2)nc1-c1ccccc1 4966064 CFTNIWJCDYLYLQ-BUVRLJJBSA-N 379.423 5.127 30 40 GKEB O=C1C[C@H](c2ccccc2Cl)CC2=C1[C@H](c1ccco1)Nc1ccccc1N2 4973594 ZTSCBIDDEVDIAB-FATZIPQQSA-N 390.870 5.913 30 40 GKEB O=C1N/C(=N/c2cc(C(F)(F)F)ccc2Cl)S/C1=C/c1cccs1 5376772 OKCNBHBPDVWSNH-KPKJPENVSA-N 388.823 5.312 30 40 GKEB Cc1cc(Cl)c(O)c(/C=N/c2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c1 6503793 IUDFDYBLLFPOAE-BRJLIKDPSA-N 390.870 6.530 30 40 GKEB CCc1ccc(/C=N\N=c2/nc3ccc(Cl)cc3c(-c3ccccc3)[nH]2)cc1 6830156 INXIMHHWODQCTB-MYYYXRDXSA-N 386.886 5.381 30 40 GKEB CCCCCCCCCC(=O)Oc1ccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 102066654 RBRLWBBXFYCLQJ-OYRHEFFESA-N 399.531 5.412 30 40 GKEB CCCCCCCCCCCCNC(=S)N/N=C/c1ccccc1[N+](=O)[O-] 104373403 WZRZSLPSULMURH-OQKWZONESA-N 392.569 5.314 30 40 GKEB C[C@]12CCCC[C@H]1CC[C@H]1[C@H]2CC[C@@]2(C)C(=O)C(=C3Nc4ccccc4N3)C[C@H]12 253499668 LSAJYPFOWSXELJ-KVAHZVPLSA-N 390.571 6.347 30 40 GKEB Cc1cc(/C=N/c2ccco2)c(C)n1-c1ccc(I)cc1 408786184 GLKFVLKCGZDLKI-YBFXNURJSA-N 390.224 5.042 30 40 GKEB Cc1ccc(NC(=O)COc2cccc(/C=N\c3ccccc3)c2)cc1Cl 409203339 WNTPMINHMVJCRK-OYKKKHCWSA-N 378.859 5.417 30 40 GKEB CSc1ccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc1 409294383 AITNFYHGCGXFOU-UHFFFAOYSA-N 377.513 5.048 30 40 GKEB CCOc1ccc(/C=C2\S/C(=N/c3cccc(Cl)c3)N=C2O)cc1OC 6554496 FYOSFBSFPKLMLS-YVLHZVERSA-N 388.876 5.479 30 40 GKEB N#Cc1c(SCc2ccc(Cl)cc2)nc2c(c1C(F)(F)F)CCCC2 8993678 CVAWINCNBOHQGJ-UHFFFAOYSA-N 382.838 5.797 30 40 GKEB Clc1ccc(CN/N=C/c2cc(Cl)ccc2OCc2ccccc2)cc1 10119000 CAJSLULCYXCZCS-AFUMVMLFSA-N 385.294 5.696 30 40 GKEB Oc1ccc2ccccc2c1/C=N/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 32101491 KHMPVSJWZMEKST-NSKAYECMSA-N 383.291 6.334 30 40 GKEB CC(C)n1c(Sc2ccc(C#N)cn2)nnc1-c1ccc(Cl)cc1Cl 42848332 MHVLXMFEQVHQIO-UHFFFAOYSA-N 390.299 5.251 30 40 GKEB CCCCCCCCCCCCNC(=O)C(=O)Nc1ccc(C)c(Cl)c1 103754055 WSLBDWCAWODGPZ-UHFFFAOYSA-N 380.960 5.624 30 40 GKEB CCCCCCCCCCCCCCCC[N+]1(C)CCC[C@@H]1c1cccnc1 104038887 HKMWYKDCNQFYSU-HSLSYKTRSA-N 387.676 7.844 30 40 GKEB C=CCN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1 224689030 BLFCUVINKIUFLK-UHFFFAOYSA-N 389.826 5.049 30 40 GKEB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)c(C#N)c1 225754709 BYTCFMYMJUMFSF-QGZVFWFLSA-N 392.499 5.195 30 40 GKEB Cc1cc(/C=N/c2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(Cl)cc1 408738111 OLIXDKNLFIMYPI-FOKLQQMPSA-N 377.702 6.805 30 40 GKEB Cc1cccc(N=C2NC(=O)/C(=C/c3cc(C)n(C4CCCCC4)c3C)S2)c1 408743092 ZELDVGVVPDUPOM-STZFKDTASA-N 393.556 5.810 30 40 GKEB Cc1cc(/C=N/c2ccc(Nc3ccccc3)cc2)c(C)n1-c1ccc(Cl)cc1 408784111 SSOZYZADBOFQHB-WPWMEQJKSA-N 399.925 7.242 30 40 GKEB O=c1c2ccccc2nc(-c2cc3cc(Cl)ccc3o2)n1N=Cc1ccccc1 409303921 INNVONPLAFYOIS-UHFFFAOYSA-N 399.837 5.345 30 40 GKEB Oc1ccc(Cl)cc1/C=N/c1ccc(Cl)c(-c2nc3ccccc3o2)c1 1444099 JFADEUPFTLKRSO-FOKLQQMPSA-N 383.234 6.258 30 40 GKEB COc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(F)c(Cl)c1 4740386 CPPLSGKJCWGLCU-MNXJYXHMSA-N 386.854 5.241 30 40 GKEB CC(=O)Nc1sc(N/N=C/c2ccccc2Cl)nc1-c1ccc(C)cc1 4956195 GFTQANQBNGICHC-SRZZPIQSSA-N 384.892 5.176 30 40 GKEB O=C1N/C(=N\c2ccccc2)S/C1=C/c1ccc(-c2ccc(Cl)cc2)o1 5201260 YDIRWLDWEKFXGL-LDADJPATSA-N 380.856 5.492 30 40 GKEB Cc1ccccc1CN1C(=O)[C@@H](C)S/C1=N\N=C\c1cccc2ccccc12 13564512 MPHAHWLFVVSQTN-NWWUUNPESA-N 387.508 5.002 30 40 GKEB C=CCn1c(Cc2cccs2)nnc1SCc1c(F)cccc1Cl 14113219 PBLYUJHIUSPEHM-UHFFFAOYSA-N 379.913 5.201 30 40 GKEB Oc1ccc(/C=N/N=c2/scc(-c3ccccc3)n2CCc2ccccc2)cc1 96297881 XJKKRAVGQIHAOD-RUKUNDOWSA-N 399.519 5.100 30 40 GKEB Brc1ccc(/C=N/c2ccc(-c3nc4ccccc4o3)cc2)cc1 100384129 RWNLBXWGFUKDJB-LPYMAVHISA-N 377.241 6.008 30 40 GKEB Cc1ccc(C23C[C@H]4C[C@@H](CC(C/N=C/c5ccc([N+](=O)[O-])cc5)(C4)C2)C3)cc1 100812093 IQPOULBKFWKOFY-ACWDHFMHSA-N 388.511 5.860 30 40 GKEB COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 408691856 UNJSPLXDLDCZSD-NTUHNPAUSA-N 392.882 6.132 30 40 GKEB CC[C@H](C)c1ccc(/N=C/c2cccn2-c2ccc(Br)cc2)cc1 408859571 YGYDVHLNJKKMBW-PFRBSUFTSA-N 381.317 6.504 30 40 GKEB Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(C(C)(C)C)cc2)S1 408868614 NCVIJLUYCGZSIE-WQRHYEAKSA-N 384.932 5.838 30 40 GKEB CCCn1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)c2ccccc21 408897280 MLVPKMGCYGPGHV-UHFFFAOYSA-N 375.468 5.179 30 40 GKEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccccc3S)c2C)c(C)c1 408931521 MRWDZDPAUCPRAI-YDZHTSKRSA-N 378.497 5.228 30 40 GKEB C=CCOc1ccccc1/C=C1\SC(=S)N(c2ccccc2CC)C1=O 5371417 VPYSTFVEEHAGMJ-RGEXLXHISA-N 381.522 5.220 30 40 GKEB O=C1N/C(=N/c2ccc(Cl)c(C(F)(F)F)c2)S/C1=C\c1ccccc1 5376273 DZUFRWUTSHXDQG-ZSOIEALJSA-N 382.794 5.250 30 40 GKEB C=CCSc1nc(-c2ccc(OCCCC)cc2)cc(C(F)(F)F)c1C#N 6026227 BIQZUIQVKMTWCP-UHFFFAOYSA-N 392.446 6.096 30 40 GKEB N#C[C@H](c1ccccc1)c1ccc(NCC(=O)Nc2ccccc2F)cc1Cl 6083917 NNASMQRWILGZTC-GOSISDBHSA-N 393.849 5.185 30 40 GKEB CCc1ccc(/N=C/c2cc(Br)cc(Br)c2OC)cc1 8084451 QMQCVPVWBMTXMO-VXLYETTFSA-N 397.110 5.533 30 40 GKEB Cc1ccc(C)c(NC(=O)CSc2nc3cc(C)cc(C)c3cc2C#N)c1 35288713 YOBOOKIOSOQUFD-UHFFFAOYSA-N 375.497 5.071 30 40 GKEB [O-]/[N+](=C\c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1)c1ccccc1 95676345 DQHFDTKNLHBWNC-RAWMCFOBSA-N 399.290 6.245 30 40 GKEB O=C1/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)[C@H](c2ccccc2)Oc2ccccc21 96766966 LQXNXWBRZOOYAV-PFSBYRDKSA-N 391.810 5.648 30 40 GKEB C=CC[N+]1(CCCCCCCCCCCCCCCC)C[C@@H]2CCCC[C@H]2C1 104377637 GRILYUYBBYWNKB-SVBPBHIXSA-N 390.720 8.291 30 40 GKEB CCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)cc1OC 408908277 RCFDZJBIKYGCBU-QNQNADBQSA-N 396.512 5.106 30 40 GKEB Cc1ccc(/N=C/c2cc(C)cc(I)c2O)c(Cl)c1 1433553 NPLLDLMSOBCEAW-QGMBQPNBSA-N 385.632 5.018 30 40 GKEB C[C@H]1CCc2sc(NC(=O)c3ccc(Cc4ccccc4)cc3)c(C#N)c2C1 4075742 DWHQNEPIMWIDDB-INIZCTEOSA-N 386.520 5.588 30 40 GKEB Cc1cc(SCc2nnc(-c3ccccc3)o2)n2c(nc3ccccc32)c1C#N 4269417 YNHHKXSCJDXLEC-UHFFFAOYSA-N 397.463 5.010 30 40 GKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccccc3Cl)c2C#N)C1 4673423 RHCRPXFKSSQNHV-ZDUSSCGKSA-N 386.948 6.067 30 40 GKEB CC1(C)CC2=NC3=C(C(=O)CC(C)(C)C3)[C@@H](c3ccccc3[N+](=O)[O-])C2=C(O)C1 4816071 ZTKHPLXUFGBEKJ-IBGZPJMESA-N 394.471 5.408 30 40 GKEB Fc1ccc(N/N=C/c2cn(-c3ccccc3)nc2-c2cccs2)c(F)c1 4979379 JWFYQNCCDWMVEZ-FSJBWODESA-N 380.423 5.325 30 40 GKEB N#Cc1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc2c1CCCCCC2 5670550 MJOMMGMXASLJSM-UHFFFAOYSA-N 389.864 5.093 30 40 GKEB CCCOc1c(Br)cc(/C=N/c2ccc(C)c(C)c2)cc1OCC 6880614 BDKBTFZHJSSMJO-LPYMAVHISA-N 390.321 6.004 30 40 GKEB C/C(=N\Nc1ccccc1C(F)(F)F)c1ccc(N2CCCCCC2)cc1 6946992 VEHFGBQZZRRGCV-PCLIKHOPSA-N 375.438 5.922 30 40 GKEB Clc1cccc(Cl)c1CN/N=C/c1c2ccccc2cc2ccccc12 9196224 LCDHKHPOQQBEFZ-DHRITJCHSA-N 379.290 6.424 30 40 GKEB Cc1ccc(C)c(OCc2ccc(-c3nc(C#N)c(N4CCCCCC4)o3)o2)c1 33027207 DISYPOUHZOCONG-UHFFFAOYSA-N 391.471 5.383 30 40 GKEB Cc1cc(C)cc(-n2c(C)cc(/C=N/c3ccc(-c4ccccc4)cc3)c2C)c1 100116754 WMMIOWRSPJMHAK-MTDXEUNCSA-N 378.519 7.129 30 40 GKEB CCCCCCCCCC(=O)Oc1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 102066651 RBRLWBBXFYCLQJ-SFTDATJTSA-N 399.531 5.412 30 40 GKEB C(=N\Cc1ccccc1)\c1ccccc1-c1ccccc1/C=N\Cc1ccccc1 104145609 RWFUQMSVHGTTMK-DHQAUHHZSA-N 388.514 6.592 30 40 GKEB C=CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 106688160 ZTCNRYCEJPIJKY-PDGQHHTCSA-N 385.872 5.141 30 40 GKEB Clc1ccc(Cn2cc(/C=N/Nc3ccccc3)c3ccccc32)cc1Cl 408818671 YKEQKPMNCOJLCX-DHRITJCHSA-N 394.305 6.442 30 40 GKEB Cc1cc(/C=N/c2ccc(C#N)cc2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408936072 FGGOKXBECPINQH-WYMPLXKRSA-N 377.831 5.068 30 40 GKEB Clc1ccc(/C=N/c2ncnc3oc(-c4ccco4)c(-c4ccco4)c23)cc1 408973476 BCNZGAQGEOFVJB-FOKLQQMPSA-N 389.798 6.147 30 40 GKEB Fc1ccccc1COc1cccc(/C=N\c2ccc(Oc3ccccc3)cc2)c1 409202623 SFSAPJJZINNOHS-VEILYXNESA-N 397.449 6.948 30 40 GKEB CCN1C(=O)/C(=C\c2cc(C)n(C(C)C)c2C)S/C1=N/c1ccc(OC)cc1 409238774 NTFPALIOMQYEEZ-SAPPFYIZSA-N 397.544 5.318 30 40 GKEB Cc1c(Cl)cccc1-c1ccc(C(=O)Nc2sc3c(c2C#N)CCCC3)o1 2235844 HHLMDICRFZOOFZ-UHFFFAOYSA-N 396.899 5.973 30 40 GKEB O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccc(Cl)c(Cl)c2)c1O 3153357 SXXQTZWWGCKIGS-UBKPWBPPSA-N 390.020 5.120 30 40 GKEB Cc1ccc2nc(-c3ccc(/N=C/c4c(O)ccc5ccccc45)cc3)oc2c1 3162589 MQOGMNHUEWWPDJ-CVKSISIWSA-N 378.431 6.413 30 40 GKEB C/C(=N\Nc1ncnc2sc3c(c12)CCCC3)c1ccc(OC(C)C)cc1 4859823 ACDRWBWFDIFJGK-ZVHZXABRSA-N 380.517 5.193 30 40 GKEB O=C1N/C(=N/c2ccccc2)S/C1=C/c1ccc(-c2cccc(Cl)c2)o1 5376576 BHGMSHASZFUEAY-LDADJPATSA-N 380.856 5.492 30 40 GKEB CC(=O)c1ccc(-c2ccc(/C=C3/S/C(=N/c4ccccc4)NC3=O)o2)cc1 6074171 UYLKFBFBXFFZHT-DEDYPNTBSA-N 388.448 5.041 30 40 GKEB Cc1cc(Cl)c(O)c(/C=N/c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1 6500591 TYMZJXYGZVXEFD-WYMPLXKRSA-N 399.277 6.010 30 40 GKEB C=C(Cl)CSc1nnc(CNc2cccc(OC)c2)n1C1CCCCC1 6911381 PJWQLGKCWXRMNG-UHFFFAOYSA-N 392.956 5.249 30 40 GKEB O=[N+]([O-])c1ccc(Cl)c(-c2ccc(/C=N/NCc3ccccc3Cl)o2)c1 8811473 VFDKLIGJCXMHBM-SSDVNMTOSA-N 390.226 5.285 30 40 GKEB C=CCSc1ccccc1NC(=O)c1cc(C2CC2)nn1-c1ccccc1 12937112 DIQAABHSSDHHGY-UHFFFAOYSA-N 375.497 5.280 30 40 GKEB C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]1CC[C@@H]2[C@@H](C)CCCC(C)C 13298419 QYSXJUFSXHHAJI-VYTXEUAMSA-N 384.648 7.619 30 40 GKEB biogenic,in-vitro COc1ccc(C(=O)/C(=C/c2ccc(C)cc2C)c2nc3ccccc3[nH]2)cc1 32704580 YJZZONUVKZSEBS-QNGOZBTKSA-N 382.463 5.612 30 40 GKEB N#Cc1cn(CCOc2ccccc2Cl)c2ccc(Br)cc12 59109384 VNSINTLSTOHVOU-UHFFFAOYSA-N 375.653 5.008 30 40 GKEB Cc1ccc(-c2nc(N/N=C/c3c[nH]c4ccccc34)nc3ccccc23)cc1 97165844 XPZIMXIHKDFAPC-CVKSISIWSA-N 377.451 5.533 30 40 GKEB CCCOc1ccc(/C(CCC/C(=N\O)c2ccc(OCCC)cc2)=N\O)cc1 100514290 ZHCGXFOZYZYWBD-XNMKTSCDSA-N 398.503 5.491 30 40 GKEB CCCCCCCCCOc1ccc(/C=C/C(=O)Oc2ccc(C=O)cc2)cc1 101005029 GHKUVSFROHHURM-QGOAFFKASA-N 394.511 6.247 30 40 GKEB CCCCCCCn1c(O)c(C(=O)Nc2cccc(F)c2)c(=O)c2ccccc21 102482164 ODLFONDOECGXHK-UHFFFAOYSA-N 396.462 5.069 30 40 GKEB COC(=O)c1cc(/N=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)ccc1Cl 408740689 LTUWCNZWODKOIK-MXAYSNPKSA-N 394.902 5.902 30 40 GKEB CCOc1ccc(/C=C2\SC(=Nc3ccc(C)cc3C)NC2=O)cc1Cl 408781677 CUSCQCLVNOQMBR-WQRHYEAKSA-N 386.904 5.247 30 40 GKEB Cc1ccc(/N=C2\S/C(=C/c3ccccc3)C(=O)N2Cc2ccccc2)cc1 408916777 ZCQBQBWWCPAFCA-FTJNEJEMSA-N 384.504 5.799 30 40 GKEB CC1=NOC(=O)/C1=C/c1c(OCc2cccc3ccccc23)ccc2ccccc12 408945154 VZYBVQUHBFSZHV-HZHRSRAPSA-N 393.442 5.888 30 40 GKEB Cc1cccc2oc(-c3ccc(/N=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3)nc12 3115366 CPPWEOZFYDOHOX-FSJBWODESA-N 391.814 6.115 30 40 GKEB CC1=C(/C=C\C(C)=N\N=C(C)\C=C\C2=C(C)CCCC2(C)C)C(C)(C)CCC1 5497380 SQYSFXIDGKWUEA-HNRDCZQBSA-N 380.620 7.989 30 40 GKEB O=C(NCc1ccco1)c1c(/N=C\c2ccc(Cl)cc2)sc2c1CCCC2 6222005 UFKAZLQTZYKEGY-MSXFZWOLSA-N 398.915 5.554 30 40 GKEB CC[C@H](C)c1ccccc1/N=C/c1cc([N+](=O)[O-])cc(Br)c1O 6449785 PYCSKZQKDIKAKR-VSMYLPJWSA-N 377.238 5.327 30 40 GKEB C(=N/Nc1nc2ccccc2[nH]1)\c1ccccc1OCc1cccc2ccccc12 6610203 NYJQPSYSWDFHCO-WGOQTCKBSA-N 392.462 5.741 30 40 GKEB CCOc1ccc(/N=C/c2ccc(OCc3ccc(C)cc3)c(Cl)c2)cc1 6962503 DHAHNDYHYFPTLM-MFKUBSTISA-N 379.887 6.377 30 40 GKEB Cc1nc(-c2ccc(NC(=O)c3ccccc3-c3ccccc3C#N)cc2)cs1 8774337 JLJULHAGWDQDJV-UHFFFAOYSA-N 395.487 5.910 30 40 GKEB Brc1ccc(/N=C/c2cc3ccccc3nc2N2CCCCC2)cc1 21554572 LGFPOJUJUHJCBZ-HZHRSRAPSA-N 394.316 5.738 30 40 GKEB CCOc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)cc1 25076226 IJECQMWOPSFMFV-NRFANRHFSA-N 393.527 5.899 30 40 GKEB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)/C(=C/c1ccccc1)C(=O)c1ccccc1 36056606 LHTRLJFFJJYZCU-UHEYVCNGSA-N 390.523 5.957 30 40 GKEB CCCCCCCCCCOc1ccc(/N=C/c2ccc(C(=O)O)cc2)cc1F 59663937 IJDQKVXBMUBICR-NLRVBDNBSA-N 399.506 6.794 30 40 GKEB C/C(=N\c1oc(-c2ccccc2)c(-c2ccccc2)c1C#N)c1ccc(Cl)cc1 103859823 DYGRYSIFRUBVCR-OGLMXYFKSA-N 396.877 7.279 30 40 GKEB C[C@]12C/C(=C\C(F)(F)F)C(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)O)CC[C@@H]12 118923586 GQVSUOMNKPEXIZ-MRCPDMDYSA-N 398.465 5.398 30 40 GKEB C=CCOc1ccccc1/C=C1\SC(=O)N(Cc2ccccc2Cl)C1=O 408531099 LZUAITXZTQEOFK-PDGQHHTCSA-N 385.872 5.141 30 40 GKEB N#Cc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccccc1C(F)(F)F)[C@H]1CC=C[C@@H]21 408755582 OQIRNYSHCWAUKU-BIENJYKASA-N 385.345 5.312 30 40 GKEB O=C(NCc1ccccc1)c1c(/N=C\c2cccc(F)c2)sc2c1CCCC2 408990484 WISVTPAEMAKOIS-YSMPRRRNSA-N 392.499 5.447 30 40 GKEB CCN(CC)c1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)o1 409090009 NZRAZFLNLSEQCK-LZCVXGSNSA-N 383.561 5.961 30 40 GKEB COc1cccc(/C=N\c2cccc(C)c2)c1OCc1ccc(C(=O)O)cc1 409187070 LOKHAZVKYNXOHJ-OYKKKHCWSA-N 375.424 5.031 30 40 GKEB N#Cc1c(/N=C/c2cc(Br)cc(Cl)c2O)sc2c1CCCC2 858071 QAGVQDJHPSOYPK-DNTJNYDQSA-N 395.709 5.371 30 40 GKEB CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(=O)C[C@@H]2c1ccc(Cl)cc1 1079461 HIORRLLYXMNRQY-GOSISDBHSA-N 379.887 5.504 30 40 GKEB Cc1ccc2cc(C#N)c(SCC(=O)Nc3ccccc3Cl)nc2c1C 4849101 YTJHAXMHOUMCEO-UHFFFAOYSA-N 381.888 5.108 30 40 GKEB BrC(/C=N/Nc1ncnc2sc3c(c12)CCC3)=C/c1ccccc1 5772345 HMKLFNXRHFSSLO-VZLXHAMVSA-N 399.317 5.014 30 40 GKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1ccc(-c2ccccc2)cc1 6344752 NJMWJQNERPXWBD-ZMOGYAJESA-N 385.345 5.727 30 40 GKEB CCOc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCc1ccc(C)cc1 6961229 BGXBYFWULIBKRP-CVKSISIWSA-N 393.914 6.685 30 40 GKEB C[C@H](/N=C(/S)Nc1c(Br)cccc1OC(F)F)C(C)(C)C 8687632 QRIRNYBYOCKQMM-QMMMGPOBSA-N 381.286 5.183 30 40 GKEB C#CCOc1ccc2ccccc2c1/C=N/NCc1c(Cl)cccc1Cl 9196124 RMIDQQCZTYGIMM-ZMOGYAJESA-N 383.278 5.282 30 40 GKEB CCCCCOC(=O)c1ccc(/N=C2/C(=O)Nc3c(C)ccc(Cl)c32)cc1 13903755 XHVVENISXNKBGL-UHFFFAOYSA-N 384.863 5.068 30 40 GKEB COc1ccc(C(=O)/C(=C/c2c[nH]c3ccccc23)c2nc3ccccc3[nH]2)cc1 50647518 HSKXBEBXWQVBPV-ZHZULCJRSA-N 393.446 5.476 30 40 GKEB CCCCN(CCCC)Cc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)cc1 67321399 PURVZUZYHOXVBR-XQNSMLJCSA-N 383.492 5.453 30 40 GKEB C[C@@H]1CCCC/C1=N\SC(c1ccccc1)(c1ccccc1)c1ccccc1 104244793 VICRXONXPPCOQD-ABSWARLHSA-N 385.576 7.278 30 40 GKEB C/C(=C\C(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 104258641 FVDBJBSKAOZMFT-ZHACJKMWSA-N 380.079 5.498 30 40 GKEB Cc1ccc(C(=O)/C=C/c2cn(Cc3ccccc3C#N)c3ccccc23)cc1 408692781 VFFHXJYHXPTHHG-CCEZHUSRSA-N 376.459 5.766 30 40 GKEB CCCN1C(=O)/C(=C\c2ccc(OC)cc2C)S/C1=N\c1ccc(C)cc1 408916414 XGCAOKRUYMUTSI-QNQNADBQSA-N 380.513 5.326 30 40 GKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3cccc(Cl)c3)c2C)c1 408966372 LFULRZXNJXTSDM-ZVHZXABRSA-N 380.875 5.675 30 40 GKEB C/N=C1\S/C(=C\c2ccc(Sc3ccc(Cl)cc3)s2)C(=O)N1C 409022664 ONRVPLGUFORGBS-FMPUCSDASA-N 380.947 5.085 30 40 GKEB CC(C)Oc1ccc2ccccc2c1/C=N/NC(F)(F)C(F)(F)C(F)(F)F 409030785 FPBKGQVKGARWRW-YCPBAFNGSA-N 396.306 5.341 30 40 GKEB Clc1cccc(COc2c(Cl)cc(/C=N/c3ccccc3)cc2Cl)c1 409210883 HJTSBINAXZBJNG-WYMPLXKRSA-N 390.697 6.976 30 40 GKEB CCCC(=O)c1c(C)cc(C)c([C@H]2CC(=O)C(/C(C)=N/OCC)=C(O)C2)c1C 521218419 UDCNVZNMZRVYGV-MXJLDLDKSA-N 385.504 5.266 30 40 GKEB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@]2(O)C#Cc1ccccc1 3846854 LZYLYVQWNIUJNH-MIIHGLDHSA-N 392.583 5.173 30 40 GKEB CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(C)cc2)C2=C(CC(C)(C)CC2=O)N1 4032162 ITBNVEMZHCUOTP-JOCHJYFZSA-N 393.527 5.085 30 40 GKEB Sc1nnc(-c2ccc(Cl)cc2)n1/N=C\c1cccc(Cl)c1Cl 4680600 RERDGJDHAPOVAN-UWVJOHFNSA-N 383.691 5.076 30 40 GKEB C=CCN(CC=C)C[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 5129937 BQSMDOYYINIQJM-QGZVFWFLSA-N 389.326 5.136 30 40 GKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc(Cl)cc1N[C@H]2c1c[nH]c2ccccc12 5190635 IEDJALRKDYLWIL-QFIPXVFZSA-N 391.902 6.043 30 40 GKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(Cl)cc3)c2C#N)C1 5901626 OCLUHIUPZJLFHH-KDHUCADRSA-N 398.959 6.076 30 40 GKEB C=CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(C)cc2)cc1 12194169 AWANRNLPVLXUCH-AOYPEHQESA-N 396.490 5.802 30 40 GKEB CCCCCCCCCc1noc(-c2c(-c3ccccc3Cl)noc2C)n1 59211782 DAUXRJUDIJNARD-UHFFFAOYSA-N 387.911 6.647 30 40 GKEB CCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)c(C#N)c1 225760321 XGRBKPHKEHXIPM-UHFFFAOYSA-N 376.500 5.496 30 40 GKEB C=CCOC(=O)c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1 226324946 LSFKSRUIJMHTGW-UHFFFAOYSA-N 387.262 6.068 30 40 GKEB Cc1cccc(COc2ccc(/C=N/OCc3cccc([N+](=O)[O-])c3)cc2)c1 408590119 GEFGMKVEDQOJSD-OEAKJJBVSA-N 376.412 5.033 30 40 GKEB O=C1/C(=C/c2ccc(Cl)s2)S/C(=N\c2ccccc2)N1c1ccccc1 408968379 YGGCXSQMVRXDRV-PJICLEDRSA-N 396.924 6.210 30 40 GKEB Fc1ccccc1COc1ccccc1/C=N/Nc1ccc(C(F)(F)F)cn1 409103453 BNDUPCBSHLJEHA-KBKYJPHKSA-N 389.352 5.265 30 40 GKEB C=CCOc1c(Br)cc(CNc2ccc(C)cc2C)cc1OC 409114960 FUZKONNJMCTPJC-UHFFFAOYSA-N 376.294 5.251 30 40 GKEB O=C(/C=C/Nc1ccc(Br)cc1Cl)c1cccc2ccccc12 409177657 BPYSNLWQTJNLSS-ZHACJKMWSA-N 386.676 6.064 30 40 GKEB O=C(OCC#CCSc1nc2ccccc2s1)c1cccc2ccccc12 2261006 IYVYBQAJXUUQCY-UHFFFAOYSA-N 389.501 5.402 30 40 GKEB CC[C@@]1(C)Oc2ccccc2[C@H]2O[C@](C)(C#CC[N+]3(C)CCCCC3)CC[C@H]21 4311364 RMPGUSXNDYXSIL-WJNCPCKPSA-N 382.568 5.108 30 40 GKEB FC(F)(F)c1ccccc1/C=N/Nc1nc(-c2ccc(Cl)cc2)cs1 4676267 DIMALNSTYHHEPD-LSFURLLWSA-N 381.810 5.928 30 40 GKEB COc1ccc([C@H]2C3=C(CCCC3=O)Nc3ccc4ccccc4c32)cc1OC 4930173 VJJZIFIDOGMFEE-HSZRJFAPSA-N 385.463 5.422 30 40 GKEB CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccncc2)C3=O)cc1 5186366 BVODCFHQIUVTST-HMAPJEAMSA-N 399.446 5.215 30 40 GKEB Cc1ccccc1/N=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 8570832 YWXZILBYNBIEOM-BRJLIKDPSA-N 388.269 6.771 30 40 GKEB Cc1ccc(COc2ccc3c(c2)O/C(=C/c2cn(C)c4ccccc24)C3=O)cc1 9423099 ABRHDVKNMZUEGS-DHRITJCHSA-N 395.458 5.682 30 40 GKEB Cc1ccc(N2Cc3ccccc3/C2=N\C(=O)Nc2ccc(Cl)cc2)cc1 12592200 SECQXPCJOJPWJR-NJNXFGOHSA-N 375.859 5.647 30 40 GKEB CSC1=N/C(=N\c2c(C)cccc2C)C2(CCCC2)N1c1ccc(C)cc1 13739222 HWHXTHDOKJNVFO-FLFQWRMESA-N 377.557 6.194 30 40 GKEB Cc1ccccc1/C=C/C(=O)c1c(C)nc2ccccc2c1-c1ccc(Cl)cc1 69383088 XQLNQSPNEPHWNH-DTQAZKPQSA-N 397.905 7.068 30 40 GKEB Cc1ccc(CN2C(=O)/C(=N/Nc3ccc(Cl)cc3)c3ccccc32)cc1 100327130 LDVNHNVKWHVSIN-NJNXFGOHSA-N 375.859 5.011 30 40 GKEB CCCCCCCC/C=C/CCCCCCCC(=O)O[C@H](C)CC(=O)N(C)C 104109709 YPGHOOFZSDFRBX-CHHLAKQQSA-N 395.628 6.434 30 40 GKEB CC/N=C1\S/C(=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)C(=O)N1CC 408759229 ACYPWFDOWZYXNJ-CXDOZEDNSA-N 387.936 5.060 30 40 GKEB CCCN1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)S/C1=N\c1ccccc1 408909331 HEXLJRWERVPVOI-PUWVYARHSA-N 378.541 5.998 30 40 GKEB Cc1ccc(-c2ccc(/C=N/c3ccc(C(=O)O)cc3C)o2)c(Br)c1 409251976 RNSATLDYTNYAPF-SSDVNMTOSA-N 398.256 5.775 30 40 GKEB C=CCn1c(-c2ccc(Cl)cc2)csc1=Nc1ccc(NC(C)=O)cc1 582467909 IERMJVLUJRXSGQ-UHFFFAOYSA-N 383.904 5.247 30 40 GKEB CCc1c(C)sc(NC(=O)CCCOc2ccc(Cl)cc2C)c1C#N 2080190 HTBUDSXVNYGMIF-UHFFFAOYSA-N 376.909 5.250 30 40 GKEB C=C(C)Cn1c(SCc2ccc(C)cc2C)nc2sc3c(c2c1=O)CCC3 2318444 BYGHDQXCRHSDNI-UHFFFAOYSA-N 396.581 5.432 30 40 GKEB O=C1C2=C(Nc3ccccc3S[C@@H]2c2cccc3ccccc23)c2ccccc21 2359447 WUOIUOZZGTZHLE-AREMUKBSSA-N 391.495 6.706 30 40 GKEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3cccc4cccnc34)c2C)cc1 5739673 MRZDAONNQKQFCV-CVKSISIWSA-N 383.451 5.180 30 40 GKEB C=CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccccc1 6022324 WMGNATVOTLYGKA-UHFFFAOYSA-N 376.312 5.730 30 40 GKEB CCn1cc(/C=C2/Oc3cc(OCc4ccccc4)ccc3C2=O)c2ccccc21 8993350 CEFHGGGEVGQTHI-AFUMVMLFSA-N 395.458 5.856 30 40 GKEB CC1(C)Oc2ccc3ccc(=O)oc3c2/C(=C/Nc2ccc3ccccc3c2)C1=O 15946399 BPHMYIZLDUZLNP-RGEXLXHISA-N 397.430 5.139 30 40 GKEB O=C1[C@@H](Cc2ccc(Cl)cc2)S/C(=N\c2nccs2)N1c1ccccc1 16037603 AOKYARRTQMQBMG-BWORXHKJSA-N 399.928 5.175 30 40 GKEB O=C1CCCC2=C1[C@@H](c1ccc(Cl)c(Cl)c1)c1cc3c(cc1N2)OCO3 18197403 DYQLIISWKQHYPU-IBGZPJMESA-N 388.250 5.287 30 40 GKEB Cc1ccc(-c2nnc(SCc3ccc(-c4ccccc4C#N)cc3)o2)cc1 22415901 QVALZNIADLYXNR-UHFFFAOYSA-N 383.476 5.876 30 40 GKEB Clc1nc2ccccc2cc1/C=N/N=C/c1cc2ccccc2nc1Cl 26779983 KSSMOLMXZXEDBQ-ASIDMNOUSA-N 379.250 5.543 30 40 GKEB Cc1cc(C)cc(-n2c(C)cc(/C=N/c3ccc(Br)cc3)c2C)c1 100116712 GYZWOBYLUKBKIT-YDZHTSKRSA-N 381.317 6.224 30 40 GKEB C=CCc1cccc(/C=N/c2ccc(Cl)cc2C(=O)c2ccccc2)c1O 102939089 JRUNYVAFHOFNMU-MFKUBSTISA-N 375.855 5.756 30 40 GKEB O/N=C1C(=C/c2ccc(Cl)cc2)\CCC[C@@H]\1[C@H](NO)c1ccc(Cl)cc1 104283743 UBTZIGTZUQCBSM-FTQIEJLHSA-N 391.298 5.727 30 40 GKEB C=C1C[C@]2(C)[C@@H](OC(C)=O)CC[C@H]2[C@@H]2CC[C@H]3C[C@H](OC(C)=O)CC[C@]3(C)[C@@H]12 118935547 ACOZANUSWBYJDV-XBUBOJNLSA-N 388.548 5.059 30 40 GKEB C=CCN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccc(OCC)cc1 224604344 GAXJUIDMXHNYBV-UHFFFAOYSA-N 393.508 5.134 30 40 GKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccccc3C(C)C)c2C)cc1 408768546 XZUNUBOGFBBJJN-WGOQTCKBSA-N 388.511 6.145 30 40 GKEB Cc1cc(/N=C\c2cccn2-c2ccc(Br)cc2)cc([N+](=O)[O-])c1C 408858403 SBBZFVCMPQRAQM-MTJSOVHGSA-N 398.260 5.515 30 40 GKEB COc1ccc(Cl)cc1/N=C/c1ccccc1OCc1ccc(C(=O)O)cc1 408960038 IIFRBYOFMQQIRG-ZMOGYAJESA-N 395.842 5.376 30 40 GKEB C=CCn1c(SCc2ccccc2Cl)nnc1-c1cc2ccccc2o1 409330340 KVZVBXZFZVSZHR-UHFFFAOYSA-N 381.888 5.823 30 40 GKEB CCC[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(O)C#Cc1ccccc1 4836800 LIEJILKXNSLXJY-WXIAYYLYSA-N 395.546 5.661 30 40 GKEB CCn1cc(/C=C2/C[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]3(C)C2=O)c(C)n1 17079752 VFYSTCQWVDOPQD-COVVVOSISA-N 390.527 5.036 30 40 GKEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccsc2)cc1 20732277 FCNAYAICRQMOHO-FOIQADDNSA-N 392.480 5.011 30 40 GKEB C[C@H](Cc1ccccc1)Nc1nc(-c2ccccc2)c2c(c1C#N)CC(C)(C)OC2 20829002 KNJRUHCYNGBEKK-GOSISDBHSA-N 397.522 5.515 30 40 GKEB C[C@@H](C#N)CN(C)c1nc(-c2ccccn2)nc2sc(-c3ccccc3)cc12 32927060 GQJKBQPFVLIGRR-HNNXBMFYSA-N 385.496 5.016 30 40 GKEB C[C@]12CCCC[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)C#Cc1ccccc1 118914927 WMAFYLBLTLVKOY-ICQXFURSSA-N 376.584 6.202 30 40 GKEB Cc1c(/C=C2/C[C@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cnn1C 118916090 FHBPPNPYHCJYHP-PDKCTGEWSA-N 380.576 5.724 30 40 GKEB Brc1cccc(-n2cccc2/C=N/c2cccc3ccccc23)c1 409017233 XXXWQYYKZDEPAE-HZHRSRAPSA-N 375.269 6.144 30 40 GKEB Fc1cc(/C=N/c2ccc(Oc3cccc(Cl)c3)cc2)ccc1N1CCCC1 409099876 MJXPESXQYWOALH-WGOQTCKBSA-N 394.877 6.622 30 40 GKEB Cc1ccc(/N=C\c2cccc(OS(=O)(=O)c3ccc(Cl)cc3)c2)cc1 409208566 CKHUSIAVTVBHLR-HMAPJEAMSA-N 385.872 5.167 30 40 GKEB Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=N/c2ccccc2)c1 409210421 JUPQDFDMIGUCLD-ZVHZXABRSA-N 378.859 5.417 30 40 GKEB COc1ccccc1N1C(SC)=N/C(=N\c2c(C)cccc2C)C12CCCC2 2271908 ZFRPDJFYGCXBDK-FLFQWRMESA-N 393.556 5.894 30 40 GKEB O=C1/C(=C/c2cccs2)Oc2cc(OCc3ccc(F)cc3Cl)ccc21 2417173 YAEAWCANNIMRMK-GRSHGNNSSA-N 386.831 5.736 30 40 GKEB COc1cc(OC)c(/C=N/c2cc(Cl)cc(Cl)c2)cc1Br 4551190 QVLHWSTWJPHIGH-UFWORHAWSA-N 389.076 5.524 30 40 GKEB N#Cc1c(NC(=O)/C=C\c2ccc(Cl)c(Cl)c2)sc2c1CCCCC2 4628367 BQJCWDUOVQUGSY-CLFYSBASSA-N 391.323 5.847 30 40 GKEB CC[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(C(C)(C)C)cc3)c2C#N)C1 4628567 LJMNUDDGSQWHON-LRFDDAOPSA-N 392.568 6.084 30 40 GKEB O=C(/C=C\c1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1Cl 5649213 HMYNUBOAGBGYDT-JYRVWZFOSA-N 383.274 6.469 30 40 GKEB CC[C@@H](C)c1ccc(C(=O)/C(=C(/S)Nc2ccccc2)[n+]2ccccc2)cc1 6319429 GHRGFAPEVRHQNY-GOSISDBHSA-O 389.544 5.539 30 40 GKEB CC/N=c1\scc(-c2cccc([N+](=O)[O-])c2)n1/N=C1/C[C@H](C)CC(C)(C)C1 6392718 DYSXOYGMZNVMRL-ODHRIAROSA-N 386.521 5.096 30 40 GKEB CN1/C(=C\C(=O)CSc2nc3ccccc3s2)C(C)(C)c2ccccc21 12603898 ICVGZDZGLWXXGR-UNOMPAQXSA-N 380.538 5.269 30 40 GKEB COc1ccc([C@@H]2C3=C(C[C@H](C)CC3=O)Nc3c(-c4ccccc4)c(C)nn32)cc1 14163656 NJJVRILPGLBSIR-IZHWHUGBSA-N 399.494 5.135 30 40 GKEB COc1ccccc1-n1cnnc1SCc1ccc(-c2ccccc2C#N)cc1 22415772 PDQDYMNTURABGF-UHFFFAOYSA-N 398.491 5.107 30 40 GKEB COc1c(Cl)cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc1Cl 59105861 GTYBKSSWSSBRRX-RIYZIHGNSA-N 397.258 5.033 30 40 GKEB O=C1/C(=C\c2ccccc2Cl)S/C(=N/c2ccccc2)N1C1CCCC1 100074901 VUAZIAQMHKSEQZ-QSAWGAGVSA-N 382.916 5.887 30 40 GKEB CCCCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1ccc(C)cc1 102580451 NYCPUYFILNCCLR-MOBKVPTQSA-N 391.511 5.305 30 40 GKEB CCCCCCCCCCc1nc2c(o1)C[C@H](C[C@@H](C)SCC)CC2=O 103007851 XPMUBDVPBVNGDZ-QZTJIDSGSA-N 379.610 6.635 30 40 GKEB N#Cc1cn(C(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)c2ccccc12 226361813 UFQZTKJGHVQAFA-UHFFFAOYSA-N 381.218 5.768 30 40 GKEB C=C1[C@@H]2C[C@@H]3[C@@H](c4ccc(OC)c(OCc5ccncc5)c4)OCC[C@]3(C2)[C@@H]1C 257325866 WUTVPTIHDPVXBQ-ANEHDTCOSA-N 391.511 5.349 30 40 GKEB O=C1NC(=Nc2ccccc2)S/C1=C\c1cccn1-c1ccc(Cl)cc1 408815908 SXSJXJBXFZYDFG-AQTBWJFISA-N 379.872 5.022 30 40 GKEB COC(=O)c1cccc(/N=C\c2cc(C)n(-c3ccc4ncccc4c3)c2C)c1 408967228 RGMVDLANWBYLHN-YSMPRRRNSA-N 383.451 5.180 30 40 GKEB Cc1ccc(/N=C\c2cccc(OCc3ccc(Br)cc3)c2)c(C)c1 409215896 GIAJRZILXPLJJV-OYKKKHCWSA-N 394.312 6.396 30 40 GKEB C=C1[C@H](C(=O)Nc2ccc3ccccc3c2)[C@H]1C(=O)Nc1ccc2ccccc2c1 1462537 FWDGYDQSLQDGLW-ZEQRLZLVSA-N 392.458 5.372 30 40 GKEB O=[N+]([O-])c1ccc(N/N=C/c2ccccc2OCc2ccccc2Cl)cc1 4359479 XCGISFZYLIMLES-LPYMAVHISA-N 381.819 5.273 30 40 GKEB COc1ccccc1/C=N/Nc1nc(-c2ccc(Cl)cc2)nc2ccccc12 4828149 NJVILOJEFJEWTP-ZVHZXABRSA-N 388.858 5.405 30 40 GKEB CC(C)[C@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(O)C#Cc1ccccc1 4866073 YXGCKQSCISYXIL-YVHASNINSA-N 395.546 5.517 30 40 GKEB COc1cc(C#N)cc(Br)c1OCc1ccc(Cl)cc1Cl 6180884 ZBFLCTLQFIREHZ-UHFFFAOYSA-N 387.060 5.215 30 40 GKEB CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCc1ccccc1 6961520 FITWDBIOHDJHBT-MFKUBSTISA-N 379.887 6.377 30 40 GKEB Cc1ccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccncc2)c(C)c1 32743585 YGNLEBNURWNMIT-PKNBQFBNSA-N 379.463 5.447 30 40 GKEB CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)NC(=O)OC(C)(C)C 77273759 UMUDVBSIURBUGW-BWMVHVDHSA-N 399.616 5.490 30 40 GKEB in-vitro O=C1/C(=N/c2ccc(F)cc2)c2ccccc2N1Cc1c(Cl)cccc1Cl 100412480 WRQCOCYBTYNQBH-LKUDQCMESA-N 399.252 5.800 30 40 GKEB COc1ccc(-c2oc(/N=C/c3ccco3)c(C#N)c2-c2ccc(OC)cc2)cc1 148246126 PYFVGSFNZXLCAE-CVKSISIWSA-N 398.418 5.846 30 40 GKEB CCN1C(=O)/C(=C\c2ccc(-c3ccccc3)o2)S/C1=N/c1ccc(F)cc1 409242429 UWSHAKBNWOXZPO-NFVLHAOASA-N 392.455 5.710 30 40 GKEB N#Cc1ccc(/C(=C(\c2ccccc2)c2ccc(C#N)cc2)c2ccccc2)cc1 1911925522 PXMVEKBIIOGHRB-BYYHNAKLSA-N 382.466 6.437 30 40 GKEB O=C1C(c2ccccc2)=C(c2ccccc2)[C@@H](c2ccccc2)[C@@H]1c1ccccc1 1719565 OYJPHCIJQKVSSN-VPUSJEBWSA-N 386.494 6.748 30 40 GKEB Cc1ccc(C(=O)Cn2c(C(=O)/C=C/c3ccccc3)nc3ccccc32)cc1 4419812 URNRXQBYTUFKOE-DTQAZKPQSA-N 380.447 5.124 30 40 GKEB aggregator COc1cc(/C=N/Nc2ccc3ccccc3n2)ccc1OCc1ccccc1 4543761 ULDNCZOEEOULAO-PCLIKHOPSA-N 383.451 5.268 30 40 GKEB CN(C)c1ccc(/C=C2/CCC/C(=C\c3c(Cl)cccc3Cl)C2=O)cc1 4817253 JUBUUDXICXVQNA-FEUFJANWSA-N 386.322 6.279 30 40 GKEB CCCC[C@H]1S/C(=N\N=C\c2cccs2)N(Cc2ccccc2C)C1=O 5093463 ISUKVHSUZDVZOS-UAQCVPFCSA-N 385.558 5.081 30 40 GKEB CCc1cccc(C)c1/N=C1\NC(=S)N(c2cccc(Cl)c2)C12CCCC2 5794846 TTZNWGIAJIWUFC-UHFFFAOYSA-N 397.975 5.948 30 40 GKEB C=CCc1ccc(OCC(=O)Nc2c(C(C)C)cccc2C(C)C)c(OC)c1 7668819 ATBAHSNVQQWENH-UHFFFAOYSA-N 381.516 5.688 30 40 GKEB Cc1c(/C=N/NCc2ccc(Cl)cc2)c2ccccc2n1Cc1ccccc1 10119153 NRCQGTQMEJJYAL-JVWAILMASA-N 387.914 5.775 30 40 GKEB C#CCOc1ccc(Br)cc1CNc1ccc(Cl)cc1Cl 41635781 MQTLDMJXJGBTPX-UHFFFAOYSA-N 385.088 5.380 30 40 GKEB C=CCN1C(=O)/C(=C\c2ccc(Br)cc2)S/C1=N/c1ccccc1 100062344 SFDHKRYXZNIMQG-ZFAMVZCKSA-N 399.313 5.239 30 40 GKEB FC(F)(F)Oc1ccc(/N=C/C=C\Nc2ccc(OC(F)(F)F)cc2)cc1 100388074 HPOQGNPHUPVIGH-SBCOWIJQSA-N 390.283 5.812 30 40 GKEB Oc1ccccc1/C=N/c1ccc2oc(-c3cccc(Br)c3)nc2c1 100502938 POLQHUZJDGSJPW-WSDLNYQXSA-N 393.240 5.714 30 40 GKEB CCCCCCCCCCc1c(C)nc(N2CCc3ccccc3C2)[nH]c1=O 102241511 RCHMPJDDWSQOMT-UHFFFAOYSA-N 381.564 5.324 30 40 GKEB CC(C)(C)c1cc(-c2c(-c3ccccc3)cnc(N)c2C#N)cc(C(C)(C)C)c1O 107667383 KHWACFZDVDHVCF-UHFFFAOYSA-N 399.538 6.170 30 40 GKEB C=CCc1cc(C(=O)N[C@H]2CC(CC)(CC)Oc3ccccc32)ccc1OC 224262780 HBVMEASIMOSVET-FQEVSTJZSA-N 379.500 5.236 30 40 GKEB C=CCOc1cccc(NC(=S)NC2(CCc3ccccc3)CCCC2)c1 225868828 BAUWSVVVIDSWTB-UHFFFAOYSA-N 380.557 5.483 30 40 GKEB COc1ccc(O)c(/C=N/c2cc(C(F)(F)F)ccc2Oc2ccccc2)c1 1057295 UDTYZECZLUQOOP-DHRITJCHSA-N 387.357 5.963 30 40 GKEB CCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1)C2=O 2062840 XGDZABPTEJGZPS-UHFFFAOYSA-N 399.874 5.268 30 40 GKEB C=CCSc1ncc(/C=N/Nc2ccc(Cl)cc2)n1Cc1ccccc1 4002496 PLZVDFZRPLBPEA-OEAKJJBVSA-N 382.920 5.309 30 40 GKEB Cc1ccc(NC(=O)c2c(/N=C/c3ccccc3)sc3c2CCCC3)c(C)c1 4553647 VYDNHWCKPQTCHC-MFKUBSTISA-N 388.536 6.247 30 40 GKEB N#Cc1ccc(CSc2nnc(Cc3cccs3)n2C2CCCCC2)cc1 6140665 UQCQIZQPLDAHSZ-UHFFFAOYSA-N 394.569 5.600 30 40 GKEB CCCOc1c(Br)cc(/C=N/c2cccc(C)c2C)cc1OC 6880634 AQNHECWSFMEVQA-CIAFOILYSA-N 376.294 5.614 30 40 GKEB O=[N+]([O-])c1cccc(/C=N/c2nc(-c3ccccc3)c(-c3ccccc3)s2)c1 59463568 QCADQDXMEUUUAD-HZHRSRAPSA-N 385.448 6.136 30 40 GKEB CCCCCCCCCCOc1ccc(/N=N/c2ccc(CCCC)cc2)cc1 68568971 FPYOECQZIFMBIM-BYYHNAKLSA-N 394.603 8.964 30 40 GKEB Cc1ccc2nc(-c3ccc(NC(=O)COc4ccc(C#N)cc4)cc3)sc2c1 89665744 SNMJETCYVNEZQL-UHFFFAOYSA-N 399.475 5.161 30 40 GKEB O=C(/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccccc1 408619696 GYKARUBKBZXPSE-MDWZMJQESA-N 383.274 6.469 30 40 GKEB Cc1cccc(-n2c(C)cc(/C=N/c3ccc(Br)c(C)c3)c2C)c1 408762163 NIWSCMHECXIRSC-YDZHTSKRSA-N 381.317 6.224 30 40 GKEB O=C1/C(=C/c2ccc(F)cc2)S/C(=N\c2ccccc2)N1Cc1ccco1 408917563 XFEOOICLNKWGQI-QFGKFHJGSA-N 378.428 5.223 30 40 GKEB C(=N/c1ccc(-c2cc3ccccc3o2)cc1)\c1ccc(N2CCCCC2)cc1 408961657 UJSIYTPEVOZUTN-ZXVVBBHZSA-N 380.491 6.841 30 40 GKEB Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1cccc2ccccc12 977549 FHLYXDFQQCFEEU-UHFFFAOYSA-N 377.443 5.710 30 40 GKEB Cc1cs/c(=N/N=C/c2ccc(OCc3ccccc3)cc2)n1-c1ccccc1 1807316 DFQFPHQRTJLNKM-DSOIMHBNSA-N 399.519 5.361 30 40 GKEB CSc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccc4ccccc4c32)cc1 4599816 VBJDRBXVDBJKMI-QHCPKHFHSA-N 399.559 6.762 30 40 GKEB COc1ccc(/C=N/Nc2nc(-c3ccccc3)c3cc(C)ccc3n2)cc1OC 4766783 AXGZFDZLZFTUDJ-MFKUBSTISA-N 398.466 5.068 30 40 GKEB O=C(/C=C/c1cc2ccccc2o1)c1cc(Cl)ccc1OCc1ccccc1 4770053 BYIKLEIEWZWPNI-VAWYXSNFSA-N 388.850 6.561 30 40 GKEB CCn1c(SCCC#N)nnc1-c1cc(-c2ccccc2)nc2ccccc12 5622616 SLLUFTOFQCENBB-UHFFFAOYSA-N 385.496 5.186 30 40 GKEB C=CCOc1cc(Br)c(/C=N/Nc2ccc(Cl)cc2)cc1OC 6490528 FFENWHXGHMFQJE-RGVLZGJSSA-N 395.684 5.122 30 40 GKEB Cc1ccc(CNc2oc(-c3ccc(COc4cccc(C)c4)o3)nc2C#N)cc1 12418997 HQXGXJMJWSPLSJ-UHFFFAOYSA-N 399.450 5.614 30 40 GKEB COc1cc(/C=C/C(=O)c2ccc(N(C)C)cc2)ccc1OCc1ccccc1 12522194 QELNEBHEVGYUDA-OQLLNIDSSA-N 387.479 5.236 30 40 GKEB COc1ccc(/C=C2/C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)OCC#N)cc1 95982846 WTLGAGKHMBBTKC-BJYOTHFNSA-N 398.462 5.047 30 40 GKEB CCc1ccc(-n2c(C)cc(/C=N/OCc3cccc([N+](=O)[O-])c3)c2C)cc1 408589625 FEMWZTVIOMPGFX-OEAKJJBVSA-N 377.444 5.115 30 40 GKEB CCCCCCCCCCCCNC(=O)C(=O)Nc1ccc(Cl)cc1F 408707576 OUJYTUMZHNDROL-UHFFFAOYSA-N 384.923 5.455 30 40 GKEB Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N\c1ccc(Cl)cc1O 409082140 RENBKEQVVZIESG-MXAYSNPKSA-N 381.903 5.970 30 40 GKEB COc1ccc2ccccc2c1/C=N\Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409100412 NCSPZMSVBLESBN-KSEXSDGBSA-N 389.333 5.221 30 40 GKEB Cc1cc(/C=N/c2ccc(O)cc2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 409384638 DXPKUIRYWAWYFL-FSJBWODESA-N 394.496 5.189 30 40 GKEB O=[N+]([O-])c1cccc(OCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)c1 1083811800 QCNVTWQJCIPPEP-UHFFFAOYSA-N 385.182 5.037 30 40 GKEB N#Cc1ccccc1NC(=O)c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1 645011 IFUHFSNYZLIJMR-UHFFFAOYSA-N 390.748 5.743 30 40 GKEB CCOc1cccc(/C=N/c2cc(-c3nc4c(C)cccc4o3)ccc2C)c1O 725251 RNFQHCWBPJIYTO-AFUMVMLFSA-N 386.451 5.967 30 40 GKEB N#Cc1c(/N=C/c2cc([N+](=O)[O-])c(Cl)cc2Cl)sc2c1CCCC2 2892556 HBBLCECUWFSMPT-DNTJNYDQSA-N 380.256 5.464 30 40 GKEB Cc1cccc(C)c1/N=C1\C2=CC=CC3=CC=C[C@@H](\C1=N/c1c(C)cccc1C)[C@H]32 4293452 YPOGTCIJJHJVON-SCNMHUSCSA-N 390.530 7.004 30 40 GKEB CC(=O)C1=C(NC(=O)N2c3ccccc3Sc3ccccc32)C[C@@H]2[C@H]1C2(C)C 4860425 KGJSGHUOYJOIIO-SPLOXXLWSA-N 390.508 5.518 30 40 GKEB COc1ccc2c(/C=N/Nc3ncnc4scc(-c5ccccc5)c34)c[nH]c2c1 5529135 DUGMLHVHTHTGNQ-KBKYJPHKSA-N 399.479 5.294 30 40 GKEB CCCN1C(=O)/C(=C\c2ccc(OCC)c(OC)c2)S/C1=N\c1ccccc1 17081074 ZFKWOSBYAQXQPC-OCIPIQTLSA-N 396.512 5.108 30 40 GKEB CCOc1cc(/C=N/Nc2nc(-c3ccc(Cl)cc3)cs2)ccc1OC 59387416 HLIANLYNOZCXLG-SRZZPIQSSA-N 387.892 5.317 30 40 GKEB CC1(C)CC2=C[C@@]3(C)CC(C)(C)C[C@]4(C3)S/C(=N\c3ccccc3)NC(=C24)C1 102453262 WGZZZYOQQKPNIG-LOSJGSFVSA-N 392.612 6.980 30 40 GKEB CC(F)(F)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 103538328 CJQURQSVTJYWIG-UHFFFAOYSA-N 396.118 5.057 30 40 GKEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C[C@@H]1[C@@H]2C(=O)C=C2CCCC[C@@H]21 118936481 RWSNWUWVSNWYPS-QMRZXGTJSA-N 394.599 5.852 30 40 GKEB Cc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1C 409199459 CWJFFBOMVPKWIF-OEAKJJBVSA-N 399.899 5.475 30 40 GKEB O=[N+]([O-])c1ccc(OCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)cc1 1083811844 XXZUUKKEIJXGPZ-UHFFFAOYSA-N 385.182 5.037 30 40 GKEB Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 815763 GXATZACNKRJXHB-XDHUDOTRSA-N 386.520 6.036 30 40 GKEB C=CCNC(=O)c1c(NC(=O)c2ccccc2)sc2c1CC[C@H](C(C)(C)C)C2 2182364 FIZZJFKZCIZORT-INIZCTEOSA-N 396.556 5.067 30 40 GKEB C(#Cc1ccc2c(c1)sc1cc(C#Cc3ccccc3)ccc12)c1ccccc1 2301076 BLVXWIWJGIBYTQ-UHFFFAOYSA-N 384.503 6.854 30 40 GKEB CSC1=N/C(=N\c2ccccc2C)[C@]2(CCOC(C)(C)C2)N1c1ccccc1 2345676 QESDNDNVNAZGHV-ULRLVEHFSA-N 393.556 5.592 30 40 GKEB Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1/N=C/c1cccc(C)c1O 4614363 KCKNGSCKVIZNTF-WYMPLXKRSA-N 376.843 6.221 30 40 GKEB Clc1ccccc1/C(=N/c1cccc(Br)c1)N1CCCCC1 4832611 OANWQQQZAJYXKD-UZYVYHOESA-N 377.713 5.667 30 40 GKEB C(=N/Nc1ccccc1)\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 6566296 QRWJLXIBYFZRPI-PCLIKHOPSA-N 378.435 5.732 30 40 GKEB C=CCCCCCCCCc1n[nH]c(SCC(=O)c2ccc(Cl)cc2)n1 6780724 UZLQNHDXCDYPAP-UHFFFAOYSA-N 391.968 5.892 30 40 GKEB Clc1ccccc1CN/N=C/c1ccc(OCc2ccccc2Cl)cc1 8811316 FYHRJWVNMVTAHJ-ZMOGYAJESA-N 385.294 5.696 30 40 GKEB Clc1cccc(COc2ccc(/C=N/NCc3ccccc3Cl)cc2)c1 8811812 QHFUVCCTQVUNJF-ZMOGYAJESA-N 385.294 5.696 30 40 GKEB Cc1ccc(COc2ccccc2/C=N/NCc2c(Cl)cccc2Cl)cc1 9196766 XIRWJUZHTYDKHQ-DHRITJCHSA-N 399.321 6.005 30 40 GKEB CC(C)c1ccc(/C=C2\Oc3cc(OC/C=C/c4ccccc4)ccc3C2=O)cc1 9532059 NEPNFPFGQXMEPM-OSJXACKJSA-N 396.486 6.518 30 40 GKEB CCCOc1c(Cl)cc(/C=N/NCc2ccc(Cl)cc2)cc1OCC 10119108 TUPDDRCEKGPDDN-YDZHTSKRSA-N 381.303 5.305 30 40 GKEB CC(/C=N\n1c(S)nnc1-c1ccc(C(C)(C)C)cc1)=C\c1ccccc1 12362160 ZOTVILGFFUSLAH-DBFXCLKPSA-N 376.529 5.469 30 40 GKEB CSc1ccc([C+](c2ccc(SC)cc2)c2ccc(SC)cc2)cc1 16248773 DXVCRTNYOLOFBT-UHFFFAOYSA-N 381.611 6.871 30 40 GKEB Cc1ccc(C(=O)/C=C/Sc2ccc(C(F)(F)F)cc2C(F)(F)F)cc1 19944768 NPLQAEHXLVVYMR-CMDGGOBGSA-N 390.348 6.521 30 40 GKEB Cc1cccc(NC(=O)CSc2nc3ccc(C(C)C)cc3cc2C#N)c1 35315037 MBZORMYGOUJXAY-UHFFFAOYSA-N 375.497 5.269 30 40 GKEB CCc1ccc(-n2c(C)cc(/C=N\c3ccc(-n4c(C)ccc4C)cc3)c2C)cc1 408763520 SQNSFUYFKZTZBX-VEILYXNESA-N 395.550 6.815 30 40 GKEB Cc1cc(/C=N/c2ccc3c(c2)OCO3)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1 408914283 PCAMBQDWKNVZAN-LSHDLFTRSA-N 397.818 5.135 30 40 GKEB CN1C(=O)/C(=C/c2ccc(-c3cccc(F)c3)o2)SC1=Nc1cccc(F)c1 409012394 JTKPMYWOHYMOMI-MPZUNYIRSA-N 396.418 5.459 30 40 GKEB COc1ccc2ccc(OC)c(/C=N/N(c3ccccc3)c3ccccc3)c2c1 409016505 CVLQBYFVISDOFN-NLRVBDNBSA-N 382.463 6.029 30 40 GKEB C(=N\Nc1ccccc1)\c1cn(Cc2ccc3ccccc3c2)c2ccccc12 409208017 AFMHSYMUXKZMRP-PKAZHMFMSA-N 375.475 6.289 30 40 GKEB CCCCCCCCCNC(=O)c1cc(-c2ccc(C)s2)nc2ccccc12 2082837 KSHXRISEIGRRFI-UHFFFAOYSA-N 394.584 6.752 30 40 GKEB C=CCn1c(SCc2c(F)cccc2Cl)nc2sc(C)c(C)c2c1=O 2264755 OTYAXNGEUFRZGD-UHFFFAOYSA-N 394.924 5.346 30 40 GKEB Cc1ccc(-c2nc3cc(/N=C/c4cc(Cl)ccc4O)ccc3o2)c(C)c1 3042739 PWEVAXIABMKDQJ-WYMPLXKRSA-N 376.843 6.221 30 40 GKEB Oc1ccc(CC/N=C2\CCCc3c2[nH]c2ccc(-c4ccccc4)cc32)cc1 4785305 MPBSRFFRJDHRPR-IMVLJIQESA-N 380.491 5.909 30 40 GKEB O=C1N/C(=N/c2cccc(C(F)(F)F)c2)S/C1=C\c1ccccc1Cl 5550960 DVMJSPQIGSVNHG-ZSOIEALJSA-N 382.794 5.250 30 40 GKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COc3ccccc3C)c2C#N)C1 5614584 FAJXBIGYEZBVJN-MRXNPFEDSA-N 396.556 5.487 30 40 GKEB Cc1ccc(-n2c(C)cc(/C=N/Nc3nc4cc(C)ccc4cc3C)c2C)c(C)c1 6912363 OYDLTWWDPXCBGN-JFLMPSFJSA-N 396.538 6.322 30 40 GKEB CSc1nc(-c2ccc(C(C)(C)C)cc2)c(C#N)c(N2CCC(C)CC2)n1 19820377 DACLOXPRXLIICX-UHFFFAOYSA-N 380.561 5.271 30 40 GKEB Cc1ccccc1OCc1ccc(C(=O)Nc2sc3c(c2C#N)CCCC3)o1 28235580 OGXATOUVGQCCDJ-UHFFFAOYSA-N 392.480 5.231 30 40 GKEB Oc1ccc2ccccc2c1/C=N/c1nc(C23CC4CC(CC(C4)C2)C3)cs1 96576790 HOGBVHJKILMIRU-DHRITJCHSA-N 388.536 6.220 30 40 GKEB COc1cc(-c2nc3ccccn3c2/N=C/c2ccc(Cl)cc2)ccc1O 100026000 KEVNKXKOXUQGOM-YDZHTSKRSA-N 377.831 5.120 30 40 GKEB C=CCOc1cccc(NC(=S)NCCSCc2cccc(Cl)c2)c1 225300698 MOUQFCZMEOWIBM-UHFFFAOYSA-N 392.977 5.125 30 40 GKEB CCOc1ccccc1C1C2=C(CC(C)(C)CC2=O)NC2=C1C(=O)CC(C)(C)C2 408899723 VLWJJZXYXDHJRQ-UHFFFAOYSA-N 393.527 5.059 30 40 GKEB CCCCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)S/C1=N\c1ccc(C)cc1 408908504 FKCATLWLUMTLNY-KLPPEWMLSA-N 395.484 5.307 30 40 GKEB C=CCc1cc(CNc2ccc(C)cc2)cc(OC)c1OCc1ccc(F)cc1 409119336 SBYSSVBIRNHULG-UHFFFAOYSA-N 391.486 6.062 30 40 GKEB CC[C@H](C)c1ccc([C@@H]2Sc3ccccc3NC3=C2C(=O)c2ccccc23)cc1 2202845 HOVPQAQUNRCPIN-QMTYFTJSSA-N 397.543 7.067 30 40 GKEB O=C1C(O)=C(CCCc2ccc(Oc3ccccc3)cc2)C(=O)c2ccccc21 4353005 AYLGFEXRWQBSQE-UHFFFAOYSA-N 384.431 5.693 30 40 GKEB N#Cc1ccccc1CSc1nnc(Cc2cccs2)n1C1CCCCC1 5221446 TVJDASLDNTVEMK-UHFFFAOYSA-N 394.569 5.600 30 40 GKEB CC(C)(C)c1cc2oc3c(c2c(/C=N/c2ccc(Cl)cn2)c1O)CCCC3 5726726 GONUEMQXXGXMAW-BRJLIKDPSA-N 382.891 6.114 30 40 GKEB O=C(/C=C/c1ccccc1)Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O 9340525 MEDCPANRTUZFKJ-TXTIWSOFSA-N 386.378 5.061 30 40 GKEB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)c(C#N)c1 225760404 CHTGEDNUCQYLEB-LJQANCHMSA-N 390.527 5.885 30 40 GKEB COc1ccc(Oc2ccc(/N=C/c3cc(OC)c(OC)cc3C)cc2)cc1 408548942 NWQHIUIYDSGWJO-BUVRLJJBSA-N 377.440 5.564 30 40 GKEB Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/Nc2nc3ccccc3s2)c1C 408591786 VCTGTWXFADURGK-FSJBWODESA-N 394.931 6.112 30 40 GKEB Cc1ccc(/N=C2\S/C(=C/c3ccccc3C)C(=O)N2Cc2ccccc2)cc1 408915934 SBFKBPCQRFHVCD-OQNHBUHUSA-N 398.531 6.108 30 40 GKEB CCN(CC)c1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)cc1 409107754 SXSGBXRJXCWOJK-KOEQRZSOSA-N 394.971 7.088 30 40 GKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccc([N+](=O)[O-])cc2C)cc1OC 409375418 KLWNHVMCJALPBH-SRRANQMSSA-N 376.840 5.493 30 40 GKEB O=C1CCCC2=C1[C@@H](c1cccc(Cl)c1Cl)c1c(ccc3ncccc13)N2 718251 NIHBAPUSELJTSH-FQEVSTJZSA-N 395.289 6.106 30 40 GKEB Cc1cc(Cl)ccc1OCC(=O)Nc1sc2c(c1C#N)CCCCCC2 2741442 OBBDWTDICWQVSL-UHFFFAOYSA-N 388.920 5.258 30 40 GKEB CCOc1cc(/C=N/Nc2ccccc2)ccc1OCc1ccc(Cl)cc1 4685356 RJFQUEQTMNQGJL-BUVRLJJBSA-N 380.875 5.764 30 40 GKEB Clc1ccc(Sc2ccc(/C=N/c3ccc(N4CCOCC4)cc3)o2)cc1 4738884 KXRAURVAYWXHLK-HZHRSRAPSA-N 398.915 5.671 30 40 GKEB O=C(/C=C/Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)cc1 5799372 LHTFXOBLFBUHPY-AATRIKPKSA-N 393.714 6.186 30 40 GKEB COc1ccc([C@H]2C[C@H]2/C(C)=N/Oc2ncc(C(F)(F)F)cc2Cl)cc1 12351041 NQYRSCSHZVNIEC-YXKWOCJPSA-N 384.785 5.321 30 40 GKEB C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1cccc(C)c1 14088250 QSYROFZKVYJCGA-UHFFFAOYSA-N 385.920 5.297 30 40 GKEB CCCCCCC(/C=C\c1ccc(Cl)c(Cl)c1)=N\Nc1ccccc1 17106697 RNOVUSNBUXKVQU-RHZUWNPPSA-N 375.343 7.445 30 40 GKEB CCCCCCCOc1ccc(/C=C/C(=O)Oc2ccc(C(C)=O)cc2)cc1 59608673 YSEQZESEPFEBQD-LICLKQGHSA-N 380.484 5.857 30 40 GKEB CSC1=N/C(=N\c2c(C)cccc2C)C2(CCCCC2)N1c1cccc(O)c1 100689265 ZNMQEQKJBBXSQE-FLFQWRMESA-N 393.556 5.981 30 40 GKEB C[C@]12CC[C@@H](O)CC1=CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(O)C#Cc1ccccc1 253617608 XROIWEWUVSAKIJ-VIQQYPKZSA-N 390.567 5.093 30 40 GKEB CCN1C(=O)/C(=C\c2ccc(OC)cc2C)S/C1=N\c1cc(C)ccc1C 408915394 ZZZCZFHHYOXHNG-DYEBMTOPSA-N 380.513 5.244 30 40 GKEB CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@@H](C)CC)C2=O)cc1 408915896 RNRJSURLDGOQEP-OTKAWYOPSA-N 394.540 5.796 30 40 GKEB C(=N/c1nc(-c2ccc(C3CCCCC3)cc2)cs1)\c1cccc2ccccc12 408976280 FDBPDTPQQFMWFW-WPWMEQJKSA-N 396.559 7.762 30 40 GKEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1cccs1)Nc1ccccc1N2 883423 DWQCXGIDZWLKIY-ZSEKCTLFSA-N 378.522 5.789 30 40 GKEB S/C(=N\N=C\c1cccc(OCc2ccccc2Cl)c1)Nc1ccccc1 1969625 SNVYIQNIDUCMNP-OEAKJJBVSA-N 395.915 5.651 30 40 GKEB COc1cc(OC)cc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1 5383711 BAFHAARFUDTCRG-CQSZACIVSA-N 398.528 5.040 30 40 GKEB Clc1ccc(COc2ccccc2/C=N/NCc2ccccc2Cl)cc1 8811285 UMHAHSKBCATIOE-AFUMVMLFSA-N 385.294 5.696 30 40 GKEB Cc1cccc(-n2c(C)cc(/C=N/NCc3c(Cl)cccc3Cl)c2C)c1 9196423 WGZVEVUCZHXTBJ-WYMPLXKRSA-N 386.326 5.833 30 40 GKEB Oc1ccccc1/C=N\c1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1 15938175 JHXXJFKAQKMUQJ-KSEXSDGBSA-N 383.234 6.258 30 40 GKEB C(=N/c1oc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1)\c1ccccc1 17142836 JPQTXMYLDHKELO-MWAVMZGNSA-N 399.493 8.031 30 40 GKEB CC/C(=C\C(=O)c1ccc(Br)cc1)Nc1ccc(OC)cc1OC 59489032 WELSIJIRKDFKPO-RVDMUPIBSA-N 390.277 5.055 30 40 GKEB CCOC(=O)c1ccc(/N=C/c2ccccc2Oc2ccc(F)c(F)c2)cc1 100216162 NHTZLTURKXXSLK-AFUMVMLFSA-N 381.378 5.684 30 40 GKEB CCCCCCCNCc1cc(Cl)c(OCc2ccccc2)c(OC)c1 102568172 KFISNMDTOQVROJ-UHFFFAOYSA-N 375.940 5.988 30 40 GKEB CCCCc1c(C)c(C#N)c2[nH]c3ccccc3n2/c1=N/c1ccc(OC)cc1 102594438 HPUHLLQKJHKDQZ-WNAAXNPUSA-N 384.483 5.184 30 40 GKEB CC1(C)CC(=O)C(C(/C=C/c2ccccc2)C2=C(O)CC(C)(C)CC2=O)=C(O)C1 104158700 XQHNHLBEZATUDG-ZHACJKMWSA-N 394.511 5.718 30 40 GKEB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C 118927803 IIPHPVVRBVBREZ-OTXLFJBLSA-N 384.648 7.453 30 40 GKEB COc1ccc(Oc2c(N)cc(C#N)n2Cc2ccc(Cl)cc2Cl)cc1 225884686 AFGIBAORCJTICH-UHFFFAOYSA-N 388.254 5.098 30 40 GKEB CN(C)c1oc(/C=N/c2ccc(C3CCCCC3)cc2)cc1Br 408848790 UICHDJOAHUKBRD-FYJGNVAPSA-N 375.310 5.906 30 40 GKEB COc1ccccc1/C(C)=N/Nc1nc(-c2ccc(Cl)cc2Cl)cs1 408923753 LPOYMGYJLGDUBW-SSDVNMTOSA-N 392.311 5.962 30 40 GKEB O=C(COc1ccccc1/C=C1\Sc2ccccc2C1=O)Nc1ccccc1 409349399 PQDMLHJAHAYNQA-STZFKDTASA-N 387.460 5.034 30 40 GKEB O=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)Sc2ccccc21 656879 QICZEGJZURFHAW-WQRHYEAKSA-N 383.266 6.039 30 40 GKEB CC(C)(C)c1cc(/C=N/NC(=S)Nc2ccccc2)c(O)c(C(C)(C)C)c1 4677887 VBSTXWIDJUERCR-OEAKJJBVSA-N 383.561 5.308 30 40 GKEB COc1ccc2c(c1)CCc1sc(/N=C/c3ccc(Cl)cc3Cl)nc1-2 5514486 LBULRJCNVLUKAC-LSHDLFTRSA-N 389.307 5.975 30 40 GKEB O=C1N/C(=N/c2ccccc2C(F)(F)F)S/C1=C\c1ccc(Cl)cc1 8435762 SLWIDQOKBOLKEH-ZROIWOOFSA-N 382.794 5.250 30 40 GKEB CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccnc1 8438750 UOMLPGDCACEVAQ-OAQYLSRUSA-N 392.499 5.020 30 40 GKEB C(=N\c1ccc(/N=N\c2ccccc2)cc1)\c1c2ccccc2cc2ccccc12 12574221 FEHMVYCMCCHJNH-SOCGVXDLSA-N 385.470 8.159 30 40 GKEB COc1ccc(-c2cc(-c3ccccc3)nc(/N=C\c3ccccc3)n2)c(O)c1 17261208 MYTFQVYDIFUCFS-XYGWBWBKSA-N 381.435 5.275 30 40 GKEB CC(=O)N(c1nc(/C=C/C(=O)c2ccc(C)o2)cs1)c1cccc(C)c1C 32853628 ZHXRYVLBDJDWGY-MDZDMXLPSA-N 380.469 5.242 30 40 GKEB Cc1cc(C)cc(-n2c(C)cc(/C=N/c3ccc(-n4c(C)ccc4C)cc3)c2C)c1 100133892 XIAOHSGXISCYID-OGLMXYFKSA-N 395.550 6.869 30 40 GKEB CCCCCCCCCCCCNC(=S)N/N=C/c1ccc(Cl)cc1 100355374 AGNSAOLOMRJRMB-HAVVHWLPSA-N 382.017 6.059 30 40 GKEB CCCCCCCCCCCC(=O)Nc1ccc(C(=O)N2CCCCC2)cc1 408672171 MDACKBLMHZTTPA-UHFFFAOYSA-N 386.580 6.172 30 40 GKEB COc1ccc2c(c1)OCc1sc(/N=C/c3ccc(Cl)cc3Cl)nc1-2 408723620 YESVROZBIARRQS-ODCIPOBUSA-N 391.279 5.769 30 40 GKEB C/C(=N\Nc1nc(-c2ccc(C)cc2)cs1)c1ccc2oc3ccccc3c2c1 1775969020 SVAJOVCLCOZHFL-WGOQTCKBSA-N 397.503 6.854 30 40 GKEB COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCCC(C)C)n2)cc1 2119203 WYESRCZLQUFMLH-UHFFFAOYSA-N 388.536 6.434 30 40 GKEB C=C(C)Cn1c(SCC)nc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 2275947 AKSJXQCUUIWGNY-ZDUSSCGKSA-N 376.591 5.297 30 40 GKEB CCCCCc1nc2sc3c(c2c(=O)n1/N=C/c1ccc(F)cc1)CCCC3 2298515 AMKMJLFQPAUDPA-ZVHZXABRSA-N 397.519 5.091 30 40 GKEB C=C1CC[C@@H](O)C/C1=C\C=C1/CCC[C@]2(C)[C@H]([C@H](C)/C=C/[C@@H](C)C(C)C)CC[C@@H]12 4492863 MECHNRXZTMCUDQ-BMDQNDLNSA-N 396.659 7.641 30 40 GKEB COc1cccc(/C=N/Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)c1 5069071 MLRLNVXUIAIYEI-ZVHZXABRSA-N 388.858 5.405 30 40 GKEB Fc1c(F)c(F)c(N/N=C/c2ccc(OCc3ccccc3)cc2)c(F)c1F 6864224 RMKFBVXACUBYEF-NSKAYECMSA-N 392.327 5.407 30 40 GKEB Cc1ccccc1[C@H]1C2=C(C[C@@H](c3ccco3)CC2=O)Nc2nc3ccccc3n21 7495980 YSCAAUYCTFNRIO-GYCJOSAFSA-N 395.462 5.353 30 40 GKEB Oc1c(Cl)cc(Cl)cc1/C=N/c1nc(-c2ccc(Cl)cc2)cs1 18154938 HVLNNMDDKZEBPZ-IFRROFPPSA-N 383.687 6.227 30 40 GKEB Cc1cc(C)n(-c2ccc(SCc3ccc(-c4ccccc4C#N)cc3)nn2)n1 22417378 IUFJHSVPJXGBOJ-UHFFFAOYSA-N 397.507 5.110 30 40 GKEB CCCCCCCCCc1c(C#N)c(N)nc(SCc2ccccc2)c1C#N 102909102 IZAQDVJAULZXCY-UHFFFAOYSA-N 392.572 5.993 30 40 GKEB Cc1ccc(/N=C/Nc2ccc(C)c(Br)c2)cc1Br 226757383 ZIKQOZODDJSJHG-UHFFFAOYSA-N 382.099 5.600 30 40 GKEB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1C/C(=C\c1ccc(Cl)cc1)C2=O 253617045 HKMPOVRTHIXEAQ-SSSHKRAFSA-N 397.002 7.335 30 40 GKEB COc1ccc(/N=C/c2c(OCc3ccc(C)cc3)ccc3ccccc23)cc1 409208143 BHOZGDUSVNYPNK-WPWMEQJKSA-N 381.475 6.486 30 40 GKEB O=C1/C(=C/c2cccc(OCc3cccc4ccccc34)c2)Cc2ccccc21 409370693 AIAFZCMWTVIDOL-HZHRSRAPSA-N 376.455 6.241 30 40 GKEB O/C(=N\[C@H](Sc1ccc(Cl)cc1)C(Cl)(Cl)Cl)c1ccccc1 2147303 NOXDIPWNQOTUAB-CQSZACIVSA-N 395.138 6.133 30 40 GKEB in-vivo Cc1ccc(CC(C#N)(Cc2ccc(C)cc2)c2nc3ccccc3s2)cc1 3298768 GHLYAHXEPBYKLD-UHFFFAOYSA-N 382.532 6.160 30 40 GKEB COc1ccc(C(=O)/C=C(\CC(=O)c2ccc(Cl)cc2)c2ccccc2)cc1 4369272 LJBKCXUKORPYRU-CAPFRKAQSA-N 390.866 5.888 30 40 GKEB CCCC[C@@H](CC)C(=O)OC1=C(c2c(C)cc(C)cc2C)C(=O)c2ccccc21 4655631 VPZWBKSYSNFFTK-LJQANCHMSA-N 390.523 6.436 30 40 GKEB C[C@@H]1CCc2c(sc(/N=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)c2C#N)C1 4817118 BCRPBQDUNFMYJZ-JMKVTYIUSA-N 390.468 5.194 30 40 GKEB Cc1ccc([C@@H]2C3=C(CCCC3=O)Nc3c2c(C)nn3-c2cccc(Cl)c2)o1 4948554 MQTRBUFBLCVKKZ-NRFANRHFSA-N 393.874 5.300 30 40 GKEB N#Cc1c(NC(=O)c2ncoc2-c2ccc3ccccc3c2)sc2c1CCCC2 5002074 GGOOPTGZHPCARO-UHFFFAOYSA-N 399.475 5.559 30 40 GKEB Cc1cc(/C=N/Nc2c(Cl)cc(Cl)cc2Cl)c(C)n1CC(F)(F)F 5923233 DYMCFMIXSZUHJB-GEVRCRHISA-N 398.643 6.073 30 40 GKEB CCCOc1c(Br)cc(/C=N/c2ccc(OC)cc2)cc1OC 6880625 XCOGLNZBNZKBQL-UDWIEESQSA-N 378.266 5.006 30 40 GKEB CCOc1cc(/C=N/c2cc(C)ccc2C)ccc1OCc1ccc(F)cc1 6961311 FHAJKVZADVBDAU-CVKSISIWSA-N 377.459 6.171 30 40 GKEB CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCc1ccc(F)cc1 6961320 VNTKRZMMUCHSBX-VULFUBBASA-N 397.877 6.516 30 40 GKEB C#CCOc1c(Br)cc(/C=N/c2cccc(Cl)c2C)cc1OC 8277729 VQOUSTYLOFHBLB-SRZZPIQSSA-N 392.680 5.182 30 40 GKEB Cc1noc(/C=C/c2c(C)n(Cc3ccccc3C#N)c3ccccc23)c1[N+](=O)[O-] 9239253 MGHLZIGYIWWAQS-VAWYXSNFSA-N 398.422 5.245 30 40 GKEB CCCCCCCCCCCCCCCc1cc(O)cc(O)c1OC(C)=O 86040506 DHSHIDBWARFSDH-UHFFFAOYSA-N 378.553 6.657 30 40 GKEB biogenic,in-vitro CC1(C)C[C@H]2C[C@@](C)(CN2CC#CCC(O)(c2ccccc2)c2ccccc2)C1 100706668 PBANIAXWFLATDN-AZGAKELHSA-N 387.567 5.217 30 40 GKEB CCCCCCCNCc1c(OCc2ccc(F)cc2)ccc2ccccc12 102571017 YMOXCZDTSHGLIN-UHFFFAOYSA-N 379.519 6.618 30 40 GKEB C[C@@H]1CC[C@H]([C@@H]2C[C@H]3CC[C@H]2C3)/C(=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 108234406 GAQNEEVUJTXDHR-KZKWQBCVSA-N 386.452 5.143 30 40 GKEB N#Cc1cc([N+](=O)[O-])cc2c1N[C@@H](c1cccc(Br)c1)[C@H]1CC=C[C@@H]21 408754828 OLFUEEABVBEVEZ-RYRKJORJSA-N 396.244 5.055 30 40 GKEB FC(F)(F)c1ccc(N/N=C/c2cn(Cc3ccccc3)c3ccccc23)nc1 409070332 YRSDBONFTOOAEO-KKMKTNMSSA-N 394.400 5.549 30 40 GKEB COc1ccc(Cl)cc1/C=N/c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 409077374 DWYMZSWZHBYHHK-REMUQMNCSA-N 386.948 6.183 30 40 GKEB CCc1ccc(/N=C\c2cccc(OS(=O)(=O)c3ccc(C)cc3)c2)cc1 409210444 KFHICZXPVVVLIA-KQWNVCNZSA-N 379.481 5.076 30 40 GKEB N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCc1ccccc1 711292 QOOIZXWQRZDLSK-UHFFFAOYSA-N 376.428 5.993 30 40 GKEB CCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(O)cc2)C2=C1CC(C)(C)CC2=O 1461733 HHJGXKAXESZBSN-UHFFFAOYSA-N 393.527 5.098 30 40 GKEB CCCCCCCCCCSc1nc2c([nH]1)c(=S)n(C)c(=S)n2C 1638332 JYRRATAJZFBYQR-UHFFFAOYSA-N 384.640 5.932 30 40 GKEB C=CCn1c(SCc2ccccc2)nc2c(c1=O)C(C)(C)Cc1ccccc1-2 2372320 JILNCQRSXPRIOQ-UHFFFAOYSA-N 388.536 5.222 30 40 GKEB N#Cc1cc(-c2cccc(C(F)(F)F)c2)cn(Cc2cccc(Cl)c2)c1=O 3133663 XTNZUANOGMIXPA-UHFFFAOYSA-N 388.776 5.107 30 40 GKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)c2C#N)C1 5454146 XKBWWNIDMNDCKU-QXAKKESOSA-N 392.568 5.903 30 40 GKEB CCCCCCC(/C=C/c1ccc(Cl)c(Cl)c1)=N\Nc1ccccc1 5492548 RNOVUSNBUXKVQU-XKOBLCKKSA-N 375.343 7.445 30 40 GKEB N#Cc1c(SCc2ccccc2Cl)nc2c(c1C(F)(F)F)CCCC2 9422288 LZNZOKYKACZMIZ-UHFFFAOYSA-N 382.838 5.797 30 40 GKEB Cc1nc(C(F)(F)F)nc(Nc2ccc(/N=N/c3ccccc3)cc2)c1C#N 17969147 ZFWOFJGXNGIOKS-BYYHNAKLSA-N 382.349 5.835 30 40 GKEB CC(C)(CCCCC(C)(C)/C(=N/O)c1ccccc1)/C(=N/O)c1ccccc1 18251692 BDONFPPVLKFAKB-CDTUYSNOSA-N 380.532 6.356 30 40 GKEB CCCN1C/C(=C\c2ccccc2Cl)C(=O)/C(=C/c2ccccc2Cl)C1 19597344 LFXTZVSZMVGFOZ-KLCVKJMQSA-N 386.322 5.755 30 40 GKEB CCC[C@H]1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2ccc(F)cc2)C1=O 34388913 IRFCVDGQBCNITL-VAVHGKRESA-N 397.519 5.077 30 40 GKEB CC(C)=NNc1nc2cc(C)c(NC(=O)c3cccc(Cl)c3)c(C)c2s1 72228611 PQJPIMJGNMDLRN-UHFFFAOYSA-N 386.908 5.627 30 40 GKEB COC(=O)c1cccc(Cn2cc(/C=N/c3ccc(F)cc3)c3ccccc32)c1 408543107 OZNHXWMCXBSHBN-VULFUBBASA-N 386.426 5.366 30 40 GKEB COc1cccc(/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c1 408739690 ZNSQFULDONBROM-LPYMAVHISA-N 383.289 5.616 30 40 GKEB Cc1c(/C=C2\SC(=Nc3cccc(Cl)c3)NC2=O)c2ccccc2n1C 408817632 YCFXHNHTRNAIRW-WQRHYEAKSA-N 381.888 5.032 30 40 GKEB COc1ccc2c(c1)Cc1sc(/N=C\c3c(OC)ccc4ccccc34)nc1-2 409039982 DXARXHKNCTYCMQ-CFRMEGHHSA-N 386.476 5.635 30 40 GKEB C#CCOc1c(Br)cc(CNc2cc(Cl)ccc2C)cc1OC 409135050 QWXCIVBRWGLJAN-UHFFFAOYSA-N 394.696 5.044 30 40 GKEB N#Cc1c(/N=C/c2cc([N+](=O)[O-])ccc2O)oc(-c2ccco2)c1-c1ccco1 409382823 RKPVXCSGUZHDRT-SSDVNMTOSA-N 389.323 5.036 30 40 GKEB CCC/C=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575330354 XCJFRJNJPFVEKW-PLNGDYQASA-N 388.167 6.082 30 40 GKEB Cc1cc(OCc2ccccc2)ccc1C(=O)C(F)(F)C(F)(F)C(F)(F)F 575356858 GTSIFERZETUIJR-UHFFFAOYSA-N 394.286 5.590 30 40 GKEB Cc1ccc(-c2nc3cc(/N=C/c4ccc(Cl)c(Cl)c4)ccc3o2)cc1 3117085 RONMRMMDAIZBTE-WYMPLXKRSA-N 381.262 6.861 30 40 GKEB Cc1ccc(Cl)cc1/N=C1\NC(=S)N(C2CCCCC2)C12CCCCC2 6206096 VCTZZVUJSRBIBR-UHFFFAOYSA-N 389.996 5.904 30 40 GKEB Oc1c(Cl)cc(Cl)cc1/C=N/Nc1nc(-c2ccc(Cl)cc2)cs1 9925843 JRONYSSNIMQOAX-IFRROFPPSA-N 398.702 5.922 30 40 GKEB N#Cc1c(-c2cccs2)cc(C2CC2)nc1SCC(=O)c1cccs1 12524282 QRZOABPVBQBZQT-UHFFFAOYSA-N 382.535 5.596 30 40 GKEB CC1(C)[C@H]2CC[C@]1(C)C(=O)/C2=C\[C@@H](Cc1ccccc1)C(=O)Oc1ccccc1 13404099 UTUGYCPSXHQSSU-SHURGLIXSA-N 388.507 5.403 30 40 GKEB O=[N+]([O-])c1ccc(-c2ccc(/C=N\Nc3nc4ccccc4s3)o2)c(Cl)c1 16545409 ZDYCSQDMYPWULG-JMIUGGIZSA-N 398.831 5.564 30 40 GKEB CC1(C)CC2=NC3=C(C(=O)CC(C)(C)C3)[C@H](c3ccccc3[N+](=O)[O-])C2=C(O)C1 25076366 ZTKHPLXUFGBEKJ-LJQANCHMSA-N 394.471 5.408 30 40 GKEB CCN(CC)c1ccc(/N=C/c2ccc(N3Cc4cc(C)c(C)cc4C3)cc2)cc1 59501484 IFROMIYLNUROSP-OGLMXYFKSA-N 397.566 6.420 30 40 GKEB C(#Cc1cnc2c(ccc3cc(C#Cc4ccccc4)cnc32)c1)c1ccccc1 90751317 MHEPBSUIVOVLKV-UHFFFAOYSA-N 380.450 5.583 30 40 GKEB CCCCCCCOc1ccc(/C=C/c2ccc(CCCCCCC)cn2)cc1 97958178 KWXQRCMTBUBAQS-NBVRZTHBSA-N 393.615 8.114 30 40 GKEB O=C1C(c2ccc(C(F)(F)F)cc2)=C(Nc2cccc(F)c2)c2ccccc21 101091876 CQMFEGXICSRCSC-UHFFFAOYSA-N 383.344 6.021 30 40 GKEB CCCCCCCCNCc1cccc(OCc2ccc(Cl)cc2Cl)c1 102561961 BHRYDQVWANAHIN-UHFFFAOYSA-N 394.386 7.023 30 40 GKEB C=CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)SC1=S 113834358 AZTRAXFYUYKVSG-GZTJUZNOSA-N 388.945 5.135 30 40 GKEB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1C/C(=C\c1ccc(Cl)cc1)C2=O 245241523 HKMPOVRTHIXEAQ-XCSJNUKPSA-N 397.002 7.335 30 40 GKEB Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/c2oc(C)c(C)c2C#N)c1C 408586056 BEGUTDKDZVLZFC-FOKLQQMPSA-N 376.416 5.143 30 40 GKEB COC(=O)c1ccc(/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)cc1Cl 408754575 RHMMDEORJBCBLC-ZMOGYAJESA-N 380.875 5.593 30 40 GKEB Cc1ccc(C)n1-c1ccc(/N=C\c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 408787253 VXKKCPGKILBVST-YUMHPJSZSA-N 385.486 6.391 30 40 GKEB O=C(NCc1ccco1)c1c(/N=C/C=C/c2ccccc2)sc2c1CCCC2 408980881 GGTAFKHGKHUETO-SWHXDCQXSA-N 390.508 5.566 30 40 GKEB Cc1c(Cl)cccc1/N=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1 409225765 KXRCERFJJAYKRT-WGARJPEWSA-N 376.862 6.541 30 40 GKEB C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@@]2(O)C#Cc1ccccc1 2049238421 RRBUVKVCPPYRAS-GUWNOZFNSA-N 388.551 5.301 30 40 GKEB COc1ccc(C2C3=C(OC4=C2CC(C)(C)CC4=O)C(=O)CC(C)(C)C3)cc1 715500 ADAPQPDHSWOSLY-UHFFFAOYSA-N 380.484 5.095 30 40 GKEB COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1O 1301632 IVFILELFLSEDSJ-RUZDIDTESA-N 399.490 5.864 30 40 GKEB C[C@H](C#N)Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 2645374 VFEGKAXADAJOJK-LLVKDONJSA-N 375.284 5.245 30 40 GKEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc2ccccc12 4624835 HASWDZYUGLTPMB-QFIPXVFZSA-N 389.495 5.007 30 40 GKEB C=CCc1ccccc1O[C@]1(c2ccc(Cl)cc2)OC(=O)c2ccccc21 4889235 GCADAPRAXPZPPA-HSZRJFAPSA-N 376.839 5.519 30 40 GKEB CC(C)(O)C#CC[C@@H]1C[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 5379422 FSEWYBKECRKVOT-HFKOZYHYSA-N 396.956 5.003 30 40 GKEB CCOc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCc1cccc(F)c1 6961445 SOWLDWHPCYWRHD-VULFUBBASA-N 397.877 6.516 30 40 GKEB CCOc1ccc(/N=C/c2ccc(OCc3cccc(F)c3)c(OCC)c2)cc1 6962550 WMMNDLORMCXBNZ-WGOQTCKBSA-N 393.458 5.953 30 40 GKEB Cc1cccc2c1NC(=O)/C2=N\c1ccc(Oc2ccc(C(C)(C)C)cc2)cc1 13856033 CULAQAUVUSLCDQ-UHFFFAOYSA-N 384.479 6.158 30 40 GKEB CSC1=N/C(=N\c2cccc(Cl)c2)C2(CCCCC2)N1c1cccc(C)c1 17241856 DHVKNNJOWWIELT-GFMRDNFCSA-N 397.975 6.621 30 40 GKEB CC(C)c1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3cc4c(cc32)OCO4)cc1 18197523 TWBGMXNEADDIOW-QHCPKHFHSA-N 389.495 5.739 30 40 GKEB CC[C@@H](C)Nc1oc(-c2ccc(COc3ccc4ccccc4c3)o2)nc1C#N 33026989 NGKDVHUMPUDIEL-OAHLLOKOSA-N 387.439 5.749 30 40 GKEB CCCCCCCC/C=C\CCCCCCCC(=O)OCCOCCCC 100040870 LBUOSVPOVIEPLJ-SEYXRHQNSA-N 382.629 7.384 30 40 GKEB CCCCCCCCCCCCCCCCCC(=O)Nc1nc(N)nc(N)n1 104380767 WZLRSHAZJIUYQJ-UHFFFAOYSA-N 392.592 5.236 30 40 GKEB C=CCOc1cccc(NC(=S)NC2(c3ccccc3Cl)CCCC2)c1 225868564 CSEJGDFFRNDRBD-UHFFFAOYSA-N 386.948 5.661 30 40 GKEB C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccncc2)S/C1=N\c1ccccc1 408850494 OCTCQWCMLNVXAR-QOWTXMESSA-N 377.513 5.264 30 40 GKEB CN1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2)SC1=Nc1ccc(F)cc1 408962289 YCIPOEBUINYZKA-OIBHPTRJSA-N 395.503 5.050 30 40 GKEB C=CCOc1c(Cl)cc(/C=C2\SC(=O)N(CCCC)C2=O)cc1OCC 409058270 NIVRAZDIKUXMOP-VBKFSLOCSA-N 395.908 5.140 30 40 GKEB COc1ccc(/N=C\c2cc([N+](=O)[O-])ccc2Sc2ccc(C)cc2)cc1 409119338 WHGMCISRJIBCTR-HMAPJEAMSA-N 378.453 5.814 30 40 GKEB Cc1cccc(NC(=O)COc2ccc(/C=N/c3cccc(Cl)c3C)cc2)c1 409211663 NPJBDBDCPQGOMI-AFUMVMLFSA-N 392.886 5.725 30 40 GKEB Cc1sc(NC(=O)c2sc3nc4c(C)cccc4cc3c2N)c(C#N)c1C 1223910 PDXPPKMMJUGSRO-UHFFFAOYSA-N 392.509 5.142 30 40 GKEB aggregator C=CCSc1nnc(COc2ccc(Cl)c(C)c2)n1C1CCCCC1 1791804 JEGPEGXHFGIQIX-UHFFFAOYSA-N 377.941 5.602 30 40 GKEB C[C@@H]1CCc2c(sc(NC(=O)COc3ccc(C(C)(C)C)cc3)c2C#N)C1 1959830 VIJXGMAIHPZZHG-CQSZACIVSA-N 382.529 5.060 30 40 GKEB COc1ccc([C@@H]2C[C@H]2/C(=N/OC(=O)c2ccc(C)cc2)c2ccccc2)cc1 5540831 JAWNGGCVNXIWKM-BGEKPKEUSA-N 385.463 5.368 30 40 GKEB N#Cc1ccc(-c2ccc(OC(=O)CSc3ccc(Cl)cc3)cc2)cc1 5937752 YQGNCPQQXOZNGX-UHFFFAOYSA-N 379.868 5.576 30 40 GKEB Cc1ccc(N/C=C2/S/C(=N\c3cccc(Cl)c3)N(C)C2=O)cc1Cl 6449770 BJCUDVVTWQDVIL-YWGDSDGQSA-N 392.311 5.448 30 40 GKEB Cn1c([C@H](C#N)C(=O)[C@H](Sc2ccccc2)c2ccccc2)nc2ccccc21 6567056 QRPPVVILVWRKMT-AUSIDOKSSA-N 397.503 5.283 30 40 GKEB CCc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccccc2Cl)cc1 8084568 AVNDLYKZHNSRDC-AFUMVMLFSA-N 384.306 6.885 30 40 GKEB COc1ccc(/C=C/C(=O)c2cc(F)c(Cl)cc2Cl)c(OC)c1OC 12911070 WQIISEQPCGLYDK-GQCTYLIASA-N 385.218 5.054 30 40 GKEB CN1CCN(CCCCN2c3ccccc3Sc3ccc(N=[N+]=[N-])cc32)CC1 16958787 OZENPWLWODGIFL-UHFFFAOYSA-N 394.548 5.259 30 40 GKEB C[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@H]2c1ccco1 17015521 CDCCTBKHXGWFTL-GYCJOSAFSA-N 398.462 5.346 30 40 GKEB CCCC[C@H]1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2ccccc2)C1=O 33925439 ZUHJQWILXLUPQH-UHNOWLQGSA-N 399.947 5.364 30 40 GKEB O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C/c1ccccc1Cl 35647382 CIBGLIWSOLGGNO-MDWZMJQESA-N 383.687 5.538 30 40 GKEB CCOc1cc(/C=N/c2cn(-c3ccccc3)nc2-c2ccccc2)ccc1OC 59483138 JVBQLYHTLGVBFE-YZSQISJMSA-N 397.478 5.697 30 40 GKEB N#CCc1ccc(NC(=O)[C@@H]2CCCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)cc1 95465132 BWWGEWCVJYNQOR-QZTJIDSGSA-N 392.890 5.195 30 40 GKEB CCCCCCCOc1ccccc1/C=C1\N=C(c2ccc(F)cc2)OC1=O 100171832 SMVJMUCNWKCWNC-SILNSSARSA-N 381.447 5.519 30 40 GKEB C=CCOc1ccccc1/C=C1\SC(=S)N(c2cccc(SC)c2)C1=O 408526737 BZYOMPFLUSDFCW-PDGQHHTCSA-N 399.562 5.379 30 40 GKEB COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)c(C)c1 408907318 BAIJZNNPDAHBOB-DYEBMTOPSA-N 380.513 5.324 30 40 GKEB CCCCN1C(=O)/C(=C\c2ccc(OC)cc2)S/C1=N\c1ccc(C)cc1 408907603 BTMPCFUBFZQNQD-OCIPIQTLSA-N 380.513 5.408 30 40 GKEB O=[N+]([O-])c1cccnc1N/N=C/c1ccccc1OCc1cccc2ccccc12 409096312 KNAOISGWRJBZID-MFKUBSTISA-N 398.422 5.168 30 40 GKEB Clc1ccc(Sc2ccc(/C=N\c3ccc(Cl)cc3Cl)cc2)cc1 409098094 PIJUAYBCVQZKHV-FMCGGJTJSA-N 392.738 7.549 30 40 GKEB Cc1cccc(Cn2cc(/C=N/N=c3/[nH]c4ccccc4s3)c3ccccc32)c1 1854864 ITUSGPDKBZJQSN-AFUMVMLFSA-N 396.519 5.476 30 40 GKEB N#Cc1c(SCc2ccccc2)nc2c(c1-c1ccc(Cl)cc1)CCCC2 2165804 AUMUDCCVOAQARF-UHFFFAOYSA-N 390.939 6.445 30 40 GKEB CC(C)(C)c1ccc(/C=N/OCC(=O)Nc2ccc(SC(F)F)cc2)cc1 3312473 RDNLBFPQMXZUGH-FSJBWODESA-N 392.471 5.288 30 40 GKEB CN(C)c1ccc(/C=C/C(=O)c2ccc(/N=C/c3c[nH]c4ccccc34)cc2)cc1 4181267 YTDFFERUNPWIBT-DLDCDJDYSA-N 393.490 5.881 30 40 GKEB CCCCCC(/C=N/n1c(C)nc2c([nH]c3ccccc32)c1=O)=C\c1ccccc1 4898866 VEGWYOIRUFWOTK-SFHXXFADSA-N 398.510 5.684 30 40 GKEB O=C1/C(=N/OCc2c(Cl)cccc2Cl)c2ccccc2N1c1ccccc1 5483760 ZOCQYEWRDLKSLZ-HIXSDJFHSA-N 397.261 5.593 30 40 GKEB COc1ccc(C(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1CSCC(=O)O 7786206 QWASIYWWBIGKGU-YRNVUSSQSA-N 398.524 5.207 30 40 GKEB O=C1/C(=C\c2ccccc2)CN(Cc2cccs2)C/C1=C\c1cccs1 20459266 WWKXJBZOXPULTM-MGYAYREDSA-N 377.534 5.362 30 40 GKEB N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1Cl 58989297 IBEOQSPZKXTOKA-SFHVURJKSA-N 391.814 5.156 30 40 GKEB C=C[C@](C)(CC[C@@H]1[C@](C)(OC(C)=O)CC[C@H]2C(C)(C)CCC[C@]21C)OC(C)=O 102974988 JRCDNYSMCYLMMV-PQMPYMPHSA-N 392.580 5.839 30 40 GKEB C=CC/N=c1/scc(-c2ccc(F)cc2)n1/N=C/c1ccc(SC)cc1 103371581 SFLCGSRGGSCZMR-YKMYIHFSSA-N 383.517 5.047 30 40 GKEB C=CCOc1c(Br)cc(CNc2ccccc2Cl)cc1OCC 107683239 NVPHBCXIINAYNC-UHFFFAOYSA-N 396.712 5.678 30 40 GKEB Cc1ccc(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)c([N+](=O)[O-])c1 409083136 UWKDCPPNGNNFJL-AFUMVMLFSA-N 390.483 5.827 30 40 GKEB O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccc(-c2ccccc2)o1 409401731 BXARHLHBWANNKH-UHFFFAOYSA-N 391.430 5.206 30 40 GKEB CC[C@]1(C)Oc2ccccc2[C@H]2O[C@](C)(C#CC[N+]3(C)CCCCC3)CC[C@H]21 4029019 RMPGUSXNDYXSIL-DFXJHMEVSA-N 382.568 5.108 30 40 GKEB C(=N/Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1)\c1c[nH]c2ccccc12 4610932 FIJQOFAWVBRYMZ-WGOQTCKBSA-N 390.450 5.133 30 40 GKEB O=[N+]([O-])c1ccccc1-c1ccc(/C=N/Nc2ccc(Br)cc2)o1 4655957 LLRRKRDCONPHEJ-YBFXNURJSA-N 386.205 5.063 30 40 GKEB O=C1/C(=C/c2ccncc2)Oc2cc(OCc3ccc(Cl)c(Cl)c3)ccc21 5157838 LPMWJWVHULHIHR-JMIUGGIZSA-N 398.245 5.584 30 40 GKEB CCOc1ccc(/N=C/c2c(OCc3cccc(F)c3)ccc3ccccc23)cc1 6962091 ARCXHGKAFBOZBJ-OGLMXYFKSA-N 399.465 6.707 30 40 GKEB N#CCSc1ccccc1C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 7778302 URVHUHVRYLYRNT-NRFANRHFSA-N 392.911 5.475 30 40 GKEB Cc1ccccc1/N=C/c1ccccc1OCc1ccc(Br)cc1 8570926 FQZSWEFWWIPYRG-OEAKJJBVSA-N 380.285 6.087 30 40 GKEB CC(C)c1ccc(/C=N\Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1 31849067 VVOREZWSNVXNOO-FMCGGJTJSA-N 389.480 5.486 30 40 GKEB CCCCCCCCCn1c(/N=C/c2c[nH]c3ccccc23)nc2ccccc21 50860178 AECIWALZGAYHKI-ZXVVBBHZSA-N 386.543 7.019 30 40 GKEB Cc1cc(/N=C/c2cc(Br)ccc2O)ccc1NC(=O)c1ccco1 59477047 OECPSOFKUWQWTA-SRZZPIQSSA-N 399.244 5.059 30 40 GKEB CCOc1cccc(C(=O)Nc2c(C)cc3nc(NN=C(C)C)sc3c2C)c1 72228688 ARRUMZOZQKOEIZ-UHFFFAOYSA-N 396.516 5.372 30 40 GKEB C=CCOc1cccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c1 225675811 SDINWEBYJPVCOK-IBGZPJMESA-N 382.529 5.149 30 40 GKEB Cc1cc(/C=C/C(=O)c2ccccc2)c(C)n1-c1cccc(C(=O)OC(C)C)c1 408624503 UUUAPKCERINNLS-BUHFOSPRSA-N 387.479 5.555 30 40 GKEB CCCOc1c(Cl)cc(/C=C2\C(=O)ON=C2c2ccccc2)cc1Cl 409078671 HUXGMLJZDFUYJQ-ZROIWOOFSA-N 376.239 5.127 30 40 GKEB Cc1ccc(-c2ccc(/C=C3\Cc4ccccc4C3=O)o2)cc1Br 409369233 INNBEFXVKVQPNA-LFIBNONCSA-N 379.253 5.840 30 40 GKEB Cc1ccccc1/N=C\c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1 409375248 HSYHCHBUMPLOJB-MXAYSNPKSA-N 396.849 5.556 30 40 GKEB C[C@H]1CCc2c(sc(NC(=O)CSc3ccc(Cl)cc3)c2C#N)C1 710290 FPTXRQTZSMLROP-NSHDSACASA-N 376.934 5.129 30 40 GKEB COc1ccc(/C=N/CC[C@@]2(c3ccc(OC)cc3)CCOC(C)(C)C2)cc1 4028037 PWVDAIZGNIJFFP-MQHZAWOVSA-N 381.516 5.040 30 40 GKEB biogenic Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)s1 4086847 UWXHPTUWIKXTFX-RCDICMHDSA-N 392.549 6.098 30 40 GKEB CCOc1cc(/C=N/c2cc(C)ccc2C)ccc1OCc1ccccc1F 6961609 XFAIMXQRYIFUKG-CVKSISIWSA-N 377.459 6.171 30 40 GKEB CCCCCCCCOc1ccc(OC(=O)/C=C/c2ccc(OC)cc2)cc1 8453738 VJDQQVDFTBJLDU-WOJGMQOQSA-N 382.500 6.053 30 40 GKEB biogenic COc1ccc(NC(=O)c2ccccc2NCc2ccccc2C#N)cc1Cl 11551211 AGJTWUAAZZRSFZ-UHFFFAOYSA-N 391.858 5.085 30 40 GKEB Cc1cccc(C)c1/N=C1\NC(=S)N(c2ccccc2Cl)C12CCCCC2 13302820 LRMIIQLRMDNITN-UHFFFAOYSA-N 397.975 6.084 30 40 GKEB COc1ccc([C@H]2C3=C(C[C@H](C)CC3=O)Nc3c(-c4ccccc4)c(C)nn32)cc1 14163660 NJJVRILPGLBSIR-OWJWWREXSA-N 399.494 5.135 30 40 GKEB C=CCn1c(-c2ccc(Cl)cc2Cl)cs/c1=N\c1ccccc1C 16711384 CEYRYKYEWSKRCZ-QOCHGBHMSA-N 375.324 6.250 30 40 GKEB CCCCCCCCNc1cc(C)nc2c(-c3ccc(Cl)cc3)c(C)nn12 97957196 NMTRUIWIWVRJFS-UHFFFAOYSA-N 384.955 6.439 30 40 GKEB CCCCCCCCCCCCCCCCCC(=O)OCCCCCCC 100116572 HIKYVKDNGAULJV-UHFFFAOYSA-N 382.673 8.762 30 40 GKEB CC/C(=N\c1ccc(Br)cc1)c1c(C)nn(-c2ccccc2)c1O 102442985 KBHTTWOESBIHCL-HEHNFIMWSA-N 384.277 5.180 30 40 GKEB CCCCCCCNCc1c(OCc2ccccc2F)ccc2ccccc12 102571091 SZQJSGCFDJGHRB-UHFFFAOYSA-N 379.519 6.618 30 40 GKEB C=CCN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc2ccccc2c1 225063337 ZJMMFPZJPSDFSZ-UHFFFAOYSA-N 392.307 5.528 30 40 GKEB CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)c(C#N)c1 225764442 VGXWFINVIXSIBS-UHFFFAOYSA-N 396.918 5.841 30 40 GKEB C=CCn1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)c2ccccc21 408632658 GMRPBSZDUAGFJJ-UNOMPAQXSA-N 376.437 5.186 30 40 GKEB O=C1NC(=Nc2ccc(Cl)c(Cl)c2)S/C1=C/c1cccc(Cl)c1 408749346 NNKRTKFDCIQOFC-VGOFMYFVSA-N 383.687 5.538 30 40 GKEB C=CCOc1c(Cl)cc(Cl)cc1/C=C1/C(=O)N(c2ccccc2)N=C1C 409045384 YFLVNMMJGFNGIG-GZTJUZNOSA-N 387.266 5.364 30 40 GKEB Cc1ccc(/N=C/c2ccccc2OCC(=O)Nc2ccccc2)cc1Cl 409217456 VMHLOIHIJFHPQT-ZVHZXABRSA-N 378.859 5.417 30 40 GKEB N#Cc1c(/N=C/c2ccc(O)c([N+](=O)[O-])c2)oc(-c2ccco2)c1-c1ccco1 409384233 CJCSSLFOZSOZIC-SSDVNMTOSA-N 389.323 5.036 30 40 GKEB Oc1ccccc1/N=C/c1ccc(OCc2cccc(Br)c2)cc1 4460303 QECPEJARSDWIHI-LPYMAVHISA-N 382.257 5.484 30 40 GKEB COc1cc(/C=C2\Sc3ccccc3C2=O)ccc1OCc1ccc(F)cc1 5720259 BAFAFNFQZANLPV-XKZIYDEJSA-N 392.451 5.743 30 40 GKEB CCCOc1c(Br)cc(/C=N/c2ccc(OC)cc2)cc1OCC 6880627 JEADCCKMTSNFSG-FYJGNVAPSA-N 392.293 5.396 30 40 GKEB COc1ccccc1[C@]1(CC/N=C/c2ccc(N(C)C)cc2)CCOC(C)(C)C1 18114657 GCWPPPWWCMIUBJ-SUOUMBACSA-N 394.559 5.097 30 40 GKEB CSc1nc(Nc2ccc(C)cc2)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 19820363 IKKOWOGVJLFQEE-UHFFFAOYSA-N 388.540 6.087 30 40 GKEB Cc1ccc(/C=N/c2c3c(nn2-c2ccccc2)Oc2c(C)cccc2C3)cc1 20849536 BSPGGPMZPASLTB-WGOQTCKBSA-N 379.463 5.936 30 40 GKEB Cc1cc(/C=N/c2cccc(Br)c2)c(C)n1-c1ccc(N(C)C)cc1 408743047 YXDINWZREYCCFK-OEAKJJBVSA-N 396.332 5.673 30 40 GKEB CC1=NOC(=O)/C1=C/c1c(OCc2ccccc2Cl)ccc2ccccc12 408934378 AIHDNGJPCUSLGT-LDADJPATSA-N 377.827 5.388 30 40 GKEB CCc1cccc(C)c1-n1c(C)cc(/C=N\c2ccc(Cl)c(C(=O)O)c2)c1C 408959628 CGCIKMSBXHXJFL-MXAYSNPKSA-N 394.902 6.067 30 40 GKEB O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1cccc(Cl)c1Cl 408991019 PKJYPCVTRUVBGJ-JYRVWZFOSA-N 383.687 5.538 30 40 GKEB COc1ccccc1N1CCN(/N=C\c2c3ccccc3cc3ccccc23)CC1 4892938 LSLGEADBFKZLBV-DIBXZPPDSA-N 395.506 5.158 30 40 GKEB Cc1cccc(/N=C2\NC(=S)N(c3ccccc3Cl)C23CCCCC3)c1 5813157 FYOQPTALNDDAGA-UHFFFAOYSA-N 383.948 5.776 30 40 GKEB CCC(C)(C)c1ccc(Oc2ccc(/N=C3/C(=O)Nc4ccccc43)cc2)cc1 6472530 UGINHYISSNZEJR-UHFFFAOYSA-N 384.479 6.239 30 40 GKEB C=CCn1c(SCc2ccc(F)cc2Cl)nnc1-c1ccc(OC)cc1 9512205 FXYVEBCZDGPSHR-UHFFFAOYSA-N 389.883 5.225 30 40 GKEB C=CCOc1cccc(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)c1 22511664 MQAHHJLFKVTCSK-UHFFFAOYSA-N 398.506 5.457 30 40 GKEB CCCCCCCCn1c(/N=C/c2nc3ccccc3n2C)nc2ccccc21 50860265 ZGLPUYPKSJDPOS-XIEYBQDHSA-N 387.531 6.034 30 40 GKEB C=CCN1C(=O)S/C(=C\c2cc3c(cc2Cl)N(C)C(C)(C)C[C@H]3C)C1=O 208256778 AEMKNKUKQZEZAS-AXIYWZQUSA-N 390.936 5.284 30 40 GKEB COc1ccc(C2(C(=O)Nc3ccc(OC(C)C)cc3C#N)CCCCC2)cc1 225768520 IWSDNHWIMLAUPH-UHFFFAOYSA-N 392.499 5.195 30 40 GKEB N#Cc1cn(C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c2ccccc12 226361951 BKMJDVWPYQKKMH-UHFFFAOYSA-N 391.770 5.023 30 40 GKEB COc1cc(/C=N/OCc2ccccc2C#N)ccc1OCc1ccc(C)cc1 408588582 BXTYTIJSQFYVHY-CVKSISIWSA-N 386.451 5.005 30 40 GKEB O=[N+]([O-])c1cccc(CO/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)c1 408592099 KZJUBRBUNYJYSY-UFFVCSGVSA-N 391.210 5.712 30 40 GKEB Cc1cc(/C=C2\SC(=Nc3ccccc3F)NC2=O)c(C)n1-c1ccccc1 408853014 KKWVPPXSCBUYIO-MOSHPQCFSA-N 391.471 5.125 30 40 GKEB CC[C@H](C)N1C(=O)/C(=C\c2ccc(Cl)cc2)S/C1=N\c1ccc(C)cc1 408912088 KXGDESZLJPWHTB-CXPRPJQYSA-N 384.932 6.051 30 40 GKEB C[C@@H](Oc1ccc(/C=N\c2ccc(-c3cc4ccccc4o3)cc2)cc1)C(=O)O 408955442 YDVQFKMUNUSTNN-MKCIMWKDSA-N 385.419 5.702 30 40 GKEB COc1c(Cl)cc(Cl)cc1C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2 409045034 XRJIJPQUCCXLIY-UHFFFAOYSA-N 393.266 5.130 30 40 GKEB CS(=O)(=O)OC[C@H]1CCCCCCCCCCC12SCCCS2 1642113 DXACRGBTIMELMI-MRXNPFEDSA-N 380.641 5.060 30 40 GKEB Cc1ccc(/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1 3081499 UUKFEUGCOSMSGO-OEAKJJBVSA-N 380.285 6.087 30 40 GKEB O=C1/C(=C\c2ccccc2O)S/C(=N\c2ccccc2)N1Cc1ccccc1 4523838 XYGHTVRORXBATD-NVZLDUMVSA-N 386.476 5.196 30 40 GKEB C[C@H]1CCc2c(sc(/N=C/c3ccc(F)cc3)c2C(=O)Nc2ccccc2)C1 4553653 FLKYGQNRTDLNLT-CAUYNWHBSA-N 392.499 6.015 30 40 GKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C34CC5CC(CC(C5)C3)C4)c2C#N)C1 4611955 AJHWFZCYBJCFIS-HHUAMSDTSA-N 396.600 5.926 30 40 GKEB Cc1ccc(-c2ccc(/C=N/Nc3nc4ccccc4s3)o2)c([N+](=O)[O-])c1 5542956 OURSMYQCFSMBND-RGVLZGJSSA-N 378.413 5.219 30 40 GKEB CCN(CCC#N)c1ccc(/C=C/c2cc(C(=O)O)c3ccccc3n2)c(C)c1 5637192 RRAUMNXBSWFRQJ-PKNBQFBNSA-N 385.467 5.152 30 40 GKEB N#Cc1ccc(-c2csc(NC(=O)c3ccc(-c4ccccc4F)o3)n2)cc1 8345409 VVNVLUNFWKCEMA-UHFFFAOYSA-N 389.411 5.333 30 40 GKEB CCOc1cc(/C=N/NCc2ccccc2Cl)ccc1OCc1ccccc1 8811393 QCUUEIQRXYWRFE-MFKUBSTISA-N 394.902 5.441 30 40 GKEB N#Cc1cc2c(nc1SCc1ccc(Cl)c(Cl)c1)C1CCN2CC1 16384757 IXKGHUDEYUCMHM-UHFFFAOYSA-N 376.312 5.250 30 40 GKEB Cc1ccc2nc(N/N=C/c3ccnc4ccccc34)nc(-c3ccccc3)c2c1 46085341 LSDXLPKCPYHSDD-JVWAILMASA-N 389.462 5.599 30 40 GKEB CC(C)CN1C(=O)/C(=C\c2cc(Cl)ccc2O)S/C1=N/c1ccccc1 100299745 WRGOQCHLFHCCGS-HZMZRVLWSA-N 386.904 5.306 30 40 GKEB CCCCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1ccc(C)cc1 102580446 NYCPUYFILNCCLR-HOGKFDNTSA-N 391.511 5.305 30 40 GKEB Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1/C=N/c1ccc(F)c(Cl)c1 102957293 SEHZVKNQHYEXLW-LSFURLLWSA-N 382.653 6.031 30 40 GKEB Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)C[C@H]1C[C@@H]2CC[C@@H]1C2 103075088 DSYKZZSJNICPPN-DUXKGJEZSA-N 376.475 5.365 30 40 GKEB C=CCC(C(=O)Nc1ccc(OC)cc1OC)(c1ccccc1)c1ccccc1 225935572 PQGSFAQIKKPMPD-UHFFFAOYSA-N 387.479 5.205 30 40 GKEB Cc1ccc(C(=O)/C=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1 408692140 FFESMTUNHZILBK-VAWYXSNFSA-N 384.306 6.605 30 40 GKEB COc1ccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1C 408979149 PCCHKGAFRNWBBH-MFKUBSTISA-N 390.552 6.925 30 40 GKEB Cc1cccc(NC(=O)c2sc(NC(=O)c3ccccc3)c(C#N)c2C)c1C 872092 MOCRQUCARSBEDX-UHFFFAOYSA-N 389.480 5.050 30 40 GKEB CN(C)c1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccc4ncccc4c32)cc1 1440919 NDBAKZANIFITTH-QHCPKHFHSA-N 397.522 5.501 30 40 GKEB CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)Nc1ccc(C#N)cc1 2635857 KVRABYVLFOXHMJ-KRWDZBQOSA-N 395.812 5.306 30 40 GKEB COc1ccc(/C=N/CC[C@H](c2ccc(OC)cc2)[C@H]2CCOC(C)(C)C2)cc1 5425388 YNWBONWELXGPNC-IQPXCXLCSA-N 395.543 5.502 30 40 GKEB N#Cc1ccc(COC(=O)C2(Cc3nc4ccccc4s3)CCCCC2)cc1 6590202 FVIYIVDYCQVIOQ-UHFFFAOYSA-N 390.508 5.404 30 40 GKEB C/C=C/Oc1ccc(C(=O)/C(=C\c2cccnc2)c2nc3ccccc3o2)cc1 9422938 YKNPHLDVOGNZGE-UBTKYGGZSA-N 382.419 5.559 30 40 GKEB Brc1ccc2c(c1)Cc1cc(/N=C/c3ccc4c(c3)OCO4)ccc1-2 18115385 MYXUNBAEBOTUEL-FOKLQQMPSA-N 392.252 5.500 30 40 GKEB CCOc1ccc(C(=O)/C(=N\Nc2ccc(C)cc2)c2nc3ccccc3o2)cc1 27025190 OWOGLYUNEJWETB-HPNDGRJYSA-N 399.450 5.234 30 40 GKEB C/N=C1\S/C(=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@@H]3C)C(=O)N1C 223604974 UVILGIOAHVGCCF-OETUTJMZSA-N 385.577 5.028 30 40 GKEB C(=N/c1nc2c(s1)-c1ccccc1CC2)\c1ccc(OCc2ccccc2)cc1 408722272 GDMLLMMVDUOJFZ-WGOQTCKBSA-N 396.515 6.238 30 40 GKEB CCc1ccc(-n2c(C)cc(/C=N/c3ccc(C(=O)OC)c(Cl)c3)c2C)cc1 408766613 VXBFAYMBFZHGTP-AFUMVMLFSA-N 394.902 5.847 30 40 GKEB CCOc1ccccc1/C=C1/S/C(=N\c2ccc(C)cc2)N([C@H](C)CC)C1=O 408907915 CLOLGTNBGJSJCZ-JJDFSSEZSA-N 394.540 5.796 30 40 GKEB Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1ccc2ncccc2c1 408966406 MPJPLRWEXBMQTF-UHFFFAOYSA-N 378.431 5.105 30 40 GKEB C=CCN1/C(=C\C=C\c2sc3ccccc3[n+]2CC=C)Sc2ccccc21 1627077 QHFLVMNSPJMLJQ-UHFFFAOYSA-N 389.569 6.028 30 40 GKEB N#Cc1c(NC(=O)Nc2ccc(Cl)c(Cl)c2)sc2c1C1CCN2CC1 4770743 MUVWOMYKGRRASW-UHFFFAOYSA-N 393.299 5.268 30 40 GKEB CC1(C)C[C@]2(CCO1)/C(=N/c1ccccc1)NC(=S)N2c1ccc(Cl)cc1 5862310 SAVRXNNGRUCLAL-OAQYLSRUSA-N 399.947 5.093 30 40 GKEB CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(C)cc1 6149619 REYKGBQOTALLTB-JOCHJYFZSA-N 391.511 5.462 30 40 GKEB CCC1C/C(=C\c2c(C)cc(C)cc2C)C(=O)/C(=C/c2c(C)cc(C)cc2C)C1 6480580 RHPIHDULCBCKHD-FEZYOMQXSA-N 386.579 7.393 30 40 GKEB C=CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccoc1C 6911858 CJWUMOOVSAHYEH-UHFFFAOYSA-N 380.300 5.632 30 40 GKEB CCOc1cc(/C=N/c2cccc(C)c2C)ccc1OCc1ccccc1F 6961633 WUFGZLYQMAQRQC-CVKSISIWSA-N 377.459 6.171 30 40 GKEB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1ccc(C#N)cc1F 16282648 APLZCUBADDKKPW-UHFFFAOYSA-N 387.439 5.535 30 40 GKEB COc1ccccc1CN/N=C/c1cc(Cl)ccc1OCc1ccccc1 20762744 LRWNHIOFSSOIDC-MFKUBSTISA-N 380.875 5.051 30 40 GKEB Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)c2c[nH]c3ccccc23)n1 22723177 XIJIHIDNBZFMIU-NSHDSACASA-N 389.402 5.125 30 40 GKEB CCCCCCCCCOc1ccc(/C=N/c2ccc(CCCC)cc2)cc1 68569025 CJGFFRVFUUEUNN-HPNDGRJYSA-N 379.588 7.909 30 40 GKEB CCCCCCCCCCOc1ccc(NC(=O)Nc2cccc(C)c2C)cc1 100034624 FYWLVAIHSSARFW-UHFFFAOYSA-N 396.575 7.467 30 40 GKEB CCc1ccc(/C=N/c2ccc(/N=C/c3ccc(CC)cc3)c([N+](=O)[O-])c2)cc1 102934888 MAKQSDPAGZXVDP-ZZZAPRPPSA-N 385.467 6.221 30 40 GKEB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1C[C@H]1[C@@H]2C(=O)C=C2CCCC[C@@H]21 118936236 CWLSXLGVSRANSC-MWWFPEHNSA-N 392.583 6.060 30 40 GKEB C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccccc3Cl)c2C)SC1=S 408815148 QKUKKQGEUUNROJ-BOPFTXTBSA-N 388.945 5.135 30 40 GKEB C1=C[C@@H]2c3ccccc3N[C@H](c3ccc(/N=C/c4cc5ccccc5[nH]4)cc3)[C@@H]2C1 408940025 TVXUVKLXFVUWNG-HWUZDCQZSA-N 389.502 6.745 30 40 GKEB O=C1C(=Cc2cccc(OCc3cccc4ccccc34)c2)C(=O)c2ccccc21 409390835 FWXDFQRBYFYDQF-UHFFFAOYSA-N 390.438 5.881 30 40 GKEB O=C(c1cccc(Cl)c1Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575242728 FJDRLWVAYVUABP-UHFFFAOYSA-N 393.032 5.644 30 40 GKEB COc1cccc(/C=N/c2ccc3oc(-c4ccc(F)cc4Cl)nc3c2)c1O 1051377 FBTVGVPXHVTRIE-BHGWPJFGSA-N 396.805 5.752 30 40 GKEB Fc1ccc(Sc2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)cc1 3041509 ZHNUYLWTRDALHS-UHFFFAOYSA-N 392.299 5.958 30 40 GKEB COc1ccc(Br)c(/C=N/c2ccc3c4c(cccc24)CC3)c1O 3139740 RJBNEWQLDLVLAN-SSDVNMTOSA-N 382.257 5.166 30 40 GKEB O=C(/C=C/c1ccc(Cl)cc1Cl)c1ccc2ccc3ccccc3c2c1 4280539 KVODDEFJNWSKPM-ZRDIBKRKSA-N 377.270 7.196 30 40 GKEB C=CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1cccc(C)c1 13306163 BVBFJEPNPXOYFG-QHQVFXOCSA-N 393.537 5.155 30 40 GKEB CN(C)/C=C1\C(=O)c2c(Oc3ccc(Cl)cc3)cccc2[C@@H]1c1ccccc1 100255313 NNZGDVKPEFXOMU-BARSGRSVSA-N 389.882 5.906 30 40 GKEB O=C(/C=C/Nc1ccc(F)cc1)c1ccc(OCc2c(F)cccc2Cl)cc1 100417307 YDODHIHOELYTOB-OUKQBFOZSA-N 399.824 6.006 30 40 GKEB CCCCCCCCCCCCCCS(=O)(=O)NCCCCCC(=O)O 100922037 PWFGIIAMKRIHBK-UHFFFAOYSA-N 391.618 5.252 30 40 GKEB COc1ccc(/C=N/c2ccc(/N=C/c3ccc(OC)cc3)c([N+](=O)[O-])c2)cc1 102934190 SHKNYZTUABGSNW-OZEVPFDHSA-N 389.411 5.113 30 40 GKEB C/C(=C\C(=O)c1ccc(F)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 110396929 MOVKODLVVMYPPM-UXBLZVDNSA-N 391.286 6.062 30 40 GKEB O=C(O)c1cccc(-n2cccc2/C=N/c2ccc(Nc3ccccc3)cc2)c1 409090988 SBKIDEMEHCRREQ-KOEQRZSOSA-N 381.435 5.670 30 40 GKEB CCOc1ccc(Cl)cc1/C=N/c1ccc(Oc2cccc(OC)c2)cc1 409094123 CDNZWMAUUJZDLJ-BUVRLJJBSA-N 381.859 6.290 30 40 GKEB C=CCc1cc(CNc2ccccc2C)cc(OC)c1OCc1cccc(F)c1 409113183 IKDNJAXNIXUCIF-UHFFFAOYSA-N 391.486 6.062 30 40 GKEB COc1cc([C@@H]2Nc3c(ccc4ccccc34)C3=C2C(=O)CC(C)(C)C3)ccc1O 684735 QMBWASKVCKQXQK-DEOSSOPVSA-N 399.490 5.864 30 40 GKEB Cc1ccc2nc(-c3ccc(/N=C/c4ccc(Cl)cc4Cl)cc3)sc2c1 2842432 CCNLNHZZUBDNQM-WYMPLXKRSA-N 397.330 7.329 30 40 GKEB Cc1ccc2oc(-c3ccccc3/N=C/c3cc(Cl)cc(Cl)c3O)nc2c1 3140500 KNUKRXCJUINYMB-BHGWPJFGSA-N 397.261 6.566 30 40 GKEB Cc1ccc(C(=O)Oc2ccc(/C=N/c3ccc(Br)cc3)cc2)cc1 3168903 AKUSCZFVIZBAOW-OEAKJJBVSA-N 394.268 5.727 30 40 GKEB COc1ccc(Nc2nc(SC)nc(-c3ccccc3)c2C#N)cc1Cl 5607405 QBDYFIKWGQVKAT-UHFFFAOYSA-N 382.876 5.143 30 40 GKEB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 6305779 NYOXRYYXRWJDKP-QAKPMDPSSA-N 384.648 7.597 30 40 GKEB biogenic CSc1ccc(/N=C(/S)SCc2ccc3c(c2)OCO3)cc1Cl 6425407 FVYIPWUQDTYXBK-UHFFFAOYSA-N 383.947 5.641 30 40 GKEB CCOc1ccc(/C=N/Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)cc1 6554296 RYAHPOGIYILTSR-HCBMXOAHSA-N 380.263 5.107 30 40 GKEB C=CCn1c(SCCOc2ccccc2)nnc1-c1cc2ccccc2o1 7341909 FNKWMHYGCYCANL-UHFFFAOYSA-N 377.469 5.048 30 40 GKEB Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)c(C)c1 8368590 INVRKPZJLSQWFV-DHRITJCHSA-N 384.306 6.940 30 40 GKEB CCc1ccc2oc(-c3cccc(/N=C/c4cccc([N+](=O)[O-])c4O)c3)nc2c1 13942933 NZCMVWWYEFYJOR-YDZHTSKRSA-N 387.395 5.422 30 40 GKEB CC(C)CN(Cc1c(O)ccc2c1O/C(=C\c1cccc(F)c1)C2=O)CC(C)C 20650566 DURWVBAUTXRSHU-JJFYIABZSA-N 397.490 5.262 30 40 GKEB CCCCCCCCCCSCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] 98023128 DTZVEPPIORKVEV-UHFFFAOYSA-N 382.526 5.416 30 40 GKEB CCCCCCCCOC(=O)C[N+](C)(C)CCO[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C 217464985 KTMOLWBNBDAXBS-AWRGLXIESA-N 396.636 5.198 30 40 GKEB C[C@@]12CCC(=O)C=C1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(O)C#Cc1ccccc1 253617511 RRBUVKVCPPYRAS-OPFIPLIOSA-N 388.551 5.301 30 40 GKEB Cc1cc(/C=N/c2ccccc2C(C)C)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408933635 BQLNREDMSBDRLE-DHRITJCHSA-N 394.902 6.320 30 40 GKEB CCOc1ccccc1/C=C1/SC(=Nc2cccc(Cl)c2Cl)NC1=O 408966881 RAQZSENKIGPFPV-XNTDXEJSSA-N 393.295 5.284 30 40 GKEB Cc1ccc(COc2ccc(Cl)cc2/C=N/c2cc(Cl)ccc2C)cc1 409216637 KGJTZKFCHWEUHZ-DHRITJCHSA-N 384.306 6.940 30 40 GKEB C=CCO[C@H]1CC2(CCN(C(=O)c3ccccc3C)CC2)c2cc(C)ccc21 585105629 KPXSWFNILVWTFZ-QHCPKHFHSA-N 375.512 5.125 30 40 GKEB CCOc1ccc(/N=C/c2cccc(OC)c2OCc2ccc(F)cc2)cc1 680941 KJHVATGUAPKDDX-MFKUBSTISA-N 379.431 5.563 30 40 GKEB Cc1ccc(Oc2ncccc2/C=N/OCc2ccc(Cl)c(Cl)c2)cc1 3105128 QUNJCTKTIKKJHQ-WYMPLXKRSA-N 387.266 6.040 30 40 GKEB COCC/N=C1/Sc2nc3cc(C)cc(C)c3cc2CN1C1CCC(C)CC1 4926889 DWALAZLPXCIINZ-WCWDXBQESA-N 397.588 5.340 30 40 GKEB Cc1cc(OCc2ccccc2)c(C(=O)/C=C/c2cc3ccccc3o2)cc1C 5212236 BJNZISXIUPRZQN-OUKQBFOZSA-N 382.459 6.525 30 40 GKEB CCOc1ccc(/C=C2\S/C(=N\c3ccc(Cl)c(Cl)c3)NC2=O)cc1 5551699 ZBNMKRLBCFQHBL-SXGWCWSVSA-N 393.295 5.284 30 40 GKEB C=CCNC(=O)c1c(NC(=O)c2ccc(C(C)(C)C)cc2)sc2c1CCCC2 5642361 PWGPCORHZQVRQK-UHFFFAOYSA-N 396.556 5.093 30 40 GKEB CCCOc1c(Br)cc(/C=N/c2ccc(C)cc2C)cc1OC 6880630 IRZQMCBSQZTUGV-CIAFOILYSA-N 376.294 5.614 30 40 GKEB CCOc1ccc(/N=C/c2ccc(OCc3cccc(Cl)c3)c(OC)c2)cc1 6962530 ZHGIQZALHQMXBO-MFKUBSTISA-N 395.886 6.077 30 40 GKEB CCOc1ccc(/N=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1 6962621 YVXIIEUNFJUNCW-HZHRSRAPSA-N 376.412 5.323 30 40 GKEB COc1cc(/C=N/c2cc(C)ccc2C)ccc1OCc1cccc(Cl)c1 8368079 BNIDWDNXBAMTDC-AFUMVMLFSA-N 379.887 6.295 30 40 GKEB C(=N\N=C1c2ccccc2-c2ccccc21)\c1cccc(OCc2ccccc2)c1 16921104 LYGCFYNUMTZAAT-VEILYXNESA-N 388.470 6.118 30 40 GKEB Cc1ccc(-c2nc(CC(=O)Nc3sc4c(c3C#N)CCCCC4)cs2)o1 40073530 PZDWZTQJDACZCN-UHFFFAOYSA-N 397.525 5.095 30 40 GKEB COC(=O)c1ccc(/C=N/c2c(-c3ccccc3)cnn2-c2ccccc2)cc1 67317275 QPPBLBZPJNMFFO-PCLIKHOPSA-N 381.435 5.077 30 40 GKEB CSC1=N/C(=N\c2c(C)cccc2C)C2(CCCCC2)N1Cc1ccccc1 100854147 AUIZVMPFPJGONH-LVWGJNHUSA-N 391.584 6.271 30 40 GKEB CCN(CC)c1ccc(/C=N/c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1 408718495 ROMKVOMJPVERTR-NLRVBDNBSA-N 396.494 6.000 30 40 GKEB CC(C)Oc1ccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc1 409290499 MASBSUDFSHOTMJ-UHFFFAOYSA-N 389.499 5.114 30 40 GKEB O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1ccc(F)cc1)Nc1ccccc1N2 710792 GAYJOKKVLXARKJ-NPMXOYFQSA-N 390.483 5.867 30 40 GKEB N#Cc1cc(NC(=O)c2cc(Cl)cc(Cl)c2)ccc1Sc1ccccc1 3104499 SKZISDXYPBZNOG-UHFFFAOYSA-N 399.302 6.269 30 40 GKEB O=C(/C=C/c1c2ccccc2cc2ccccc12)c1ccc(Br)cc1 4277062 RGDZKKSHJCIXGN-BUHFOSPRSA-N 387.276 6.652 30 40 GKEB Cc1[nH]c(=S)c(C#N)c2c1[C@@]1(C)CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C2 5259339 FTBSKEZGWHIGHJ-AHYMPPOGSA-N 394.584 5.262 30 40 GKEB O=C(O)CSc1nc2ccc(/N=C/c3c(O)ccc4ccccc34)cc2s1 6886025 ABRPVMIZAFWMHC-UFFVCSGVSA-N 394.477 5.082 30 40 GKEB CCCCC1CCC(c2nc(C#N)c(N/N=C/c3cccc([N+](=O)[O-])c3)o2)CC1 27562592 QDSNMOGKDTYIJI-OEAKJJBVSA-N 395.463 5.364 30 40 GKEB Cc1nc(/C=C/N(C)C)c(C#N)c(-c2sc3ccccc3c2Cl)c1C#N 50399574 DFPIJHKMNOXXQG-CMDGGOBGSA-N 378.888 5.201 30 40 GKEB Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 71810550 FVUNBNGPEMZTBW-ZDUSSCGKSA-N 399.397 5.595 30 40 GKEB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N\NC(=S)Nc3ccccc3)cc21 223480361 DVQMWQXOZCWRSH-IWIPYMOSSA-N 392.572 5.417 30 40 GKEB Cc1ccc(COc2ccc(/C=N/OCc3cccc([N+](=O)[O-])c3)cc2)cc1 408589561 DTXZFTWCFKBJPS-OEAKJJBVSA-N 376.412 5.033 30 40 GKEB COc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@H]32)cc1 408950261 MFAUKXANLQPCOH-KGNRGCGPSA-N 394.518 6.581 30 40 GKEB COc1cccc(/C=N\c2cc(C)ccc2C)c1OCc1ccc(C(=O)O)cc1 409187228 NSXYRPVPKGFHFO-QFEZKATASA-N 389.451 5.340 30 40 GKEB CCc1nc(SCC(=O)c2ccc(C(C)C)cc2)c(C#N)c2c1CCCC2 1471250 WVLHCDLZQIVCTA-UHFFFAOYSA-N 378.541 5.493 30 40 GKEB O=C1C2=C(Nc3ccccc3S[C@@H]2c2ccccc2Cl)c2ccccc21 2420613 QONOCFSDGCFEPR-JOCHJYFZSA-N 375.880 6.207 30 40 GKEB C[C@@H](C#N)Sc1nc2sc(-c3ccccc3)cc2c(=O)n1-c1ccccc1 2639270 YCRNAXGGQDFOHE-AWEZNQCLSA-N 389.505 5.118 30 40 GKEB O=C1[C@H](Cc2ccc(Cl)cc2)S/C(=N\c2ccccc2)N1c1ccccc1 2671069 SDXCFJFOGRYORC-HNWIBAKRSA-N 392.911 5.719 30 40 GKEB CCOc1cccc(/C=N/c2ccc(-c3nc4cc(OC)ccc4o3)cc2)c1O 3032363 HKSXBRSDCBVEHB-ZVHZXABRSA-N 388.423 5.358 30 40 GKEB Cc1ccc2cc(/C=C/C(=O)c3ccc(Br)cc3)c(Cl)nc2c1 4713077 RDJWJADKVUTCPN-RMKNXTFCSA-N 386.676 5.855 30 40 GKEB CCOc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(CC)cc1 4740362 QZKDXWGQRZSNSP-YUBSNBEWSA-N 376.500 5.401 30 40 GKEB CCOC(=O)/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)c1ccccc1 5005422 ZNTIDRRXNPLPOL-RGEXLXHISA-N 380.827 5.429 30 40 GKEB CCCOc1cc(N(CC)CC)ccc1/C=N/c1sc2c(c1C#N)CCCC2 5261273 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C/C(=C/N1CCCCC1)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 118923175 JEMSVASVIKMHRV-YWPGUFKZSA-N 395.631 6.524 30 40 GKEB C=C[C@@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3c(C)cccc3CC)c2C)C1=O 408960876 PDEAYEXMOQVLJY-CTFRJJSNSA-N 394.540 5.576 30 40 GKEB CC[C@H](C)c1ccc(/N=C/c2ccc(O)c(I)c2)cc1 408963039 LTZWXJGFCQTNRQ-MKFNJMOCSA-N 379.241 5.261 30 40 GKEB Cc1cc(-n2c3ccccc3c3ccccc32)cc(C)c1B1OC(C)(C)C(C)(C)O1 604335860 AZYSOUKRMGQWLY-UHFFFAOYSA-N 397.327 5.700 30 40 GKEB Cc1ccc2nc(SCC(=O)Nc3sc(C)c(C)c3C#N)c(C)cc2c1 915621 WUJJBRVSIPRPGQ-UHFFFAOYSA-N 381.526 5.132 30 40 GKEB CCCCC(/N=N/c1ccc(C(=O)O)cc1)=N\Nc1nc2ccccc2s1 4866212 NJLCFCYGDXBEER-CDFBMQFCSA-N 381.461 5.694 30 40 GKEB O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1c(Cl)cccc1Cl 5005610 VXNBPRRYRHVIRO-RIYZIHGNSA-N 383.687 5.538 30 40 GKEB Cc1cccc(OCc2ccc(-c3nc(C#N)c(N4C[C@@H](C)C[C@H](C)C4)o3)o2)c1 12418992 VRXMTDGHWUMJFA-IRXDYDNUSA-N 391.471 5.176 30 40 GKEB COc1ccc([C@H]2C3=C(C[C@@H](C)CC3=O)Nc3c(-c4ccccc4)c(C)nn32)cc1 14163652 NJJVRILPGLBSIR-MYYSRTQBSA-N 399.494 5.135 30 40 GKEB COc1ccc(/N=C(\C(=S)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 16215778 FGGYAIGSLSNAFH-GYHWCHFESA-N 391.492 5.251 30 40 GKEB CSc1ccccc1/N=C/c1c(Br)c(C)n(-c2ccccc2)c1C 59104656 KMSWEUQLOSJGJA-LPYMAVHISA-N 399.357 6.329 30 40 GKEB CCCCCCCCCCCCN[C@H](C(=O)c1ccccc1)c1ccccc1 100693338 TYYYUJPIJMFBJG-VWLOTQADSA-N 379.588 7.121 30 40 GKEB C=CCSc1ccccc1C(=O)Nc1ccc(Cl)c(C(=O)OCC)c1 219816382 LRQNGHCOOOWZFB-UHFFFAOYSA-N 375.877 5.047 30 40 GKEB CCOC(=O)N1C/C(=C/C=C/c2ccccc2)C(=O)/C(=C/C=C/c2ccccc2)C1 254494821 NWBSQXMNQUHANJ-PHCIDVEDSA-N 399.490 5.307 30 40 GKEB O=C(/C=C/c1cccc(OCc2ccc(Br)cc2)c1)c1ccccc1 408625363 XUQNLENJSDROKL-SDNWHVSQSA-N 393.280 5.924 30 40 GKEB Cc1cccc(-n2cccc2/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c1C 409201639 NFRPHWSYDWBQSY-DYEBMTOPSA-N 381.545 5.183 30 40 GKEB Cc1c(/C=C2\Cc3ccccc3C2=O)c2ccccc2n1Cc1ccccc1Cl 409370700 DIUDNRVAUSQGRL-HMMYKYKNSA-N 397.905 6.474 30 40 GKEB CCC(CC)/N=C1/NCCCCCCOc2ccccc2Oc2ncccc21 643589555 ZUYPPGOSWHVUCY-UHFFFAOYSA-N 381.520 5.352 30 40 GKEB CCCCCCCCCCCc1n[nH]c2c1C(=O)[C@H](C(=O)OC)C(C)(C)C2 2420987 GQMWJZPMTJZAHW-LJQANCHMSA-N 376.541 5.037 30 40 GKEB C=CCc1cccc2cc(C(=O)N(C3CCCCC3)C3CCCCC3)c(=O)oc12 4175847 BALIZQPDSBRDCW-UHFFFAOYSA-N 393.527 5.629 30 40 GKEB biogenic Cc1c(/N=C/C=C/c2ccc([N+](=O)[O-])cc2)cccc1-c1nc2ccccc2o1 4672620 FIHFMYZENKKCGM-QOZUZQNYSA-N 383.407 6.127 30 40 GKEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)nc1 5590474 WASXPNSNZVCONF-AWQFTUOYSA-N 377.187 5.003 30 40 GKEB Cc1cc(C)c2c(c1)C(=O)/C(=C\c1ccc(OC(F)F)cc1OC(F)F)CC2 6683651 IDMJDUCLKMKEAP-ZROIWOOFSA-N 394.364 5.719 30 40 GKEB CCCOc1c(Br)cc(/C=N/c2ccc(C)c(Cl)c2)cc1OC 6880616 GODBOLWOILLQQZ-SRZZPIQSSA-N 396.712 5.959 30 40 GKEB O=C(/C=C/c1ccc(-c2ccccc2)cc1)c1ccc(Cl)c(Cl)c1Cl 6885647 BRBZFBRAGVUXSR-MDWZMJQESA-N 387.693 7.210 30 40 GKEB C=CCN(C(=O)c1ccncc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 15544320 WSDGICLIVMDNPD-UHFFFAOYSA-N 390.295 5.345 30 40 GKEB CC/C(=N\NS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C)c1ccc(Cl)s1 17081640 UMVXYHUSFVIWOO-HMMYKYKNSA-N 398.981 5.036 30 40 GKEB CSc1nc(Nc2cccc(C)c2)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 19820468 VPUFBJQGRPSFMX-UHFFFAOYSA-N 388.540 6.087 30 40 GKEB N#C[C@H](C(=O)[C@H]1C[C@H]1c1cccc(F)c1)c1nc(-c2c(F)cccc2F)cs1 67801418 OYIWMDPQYMJBHT-SOUVJXGZSA-N 398.409 5.207 30 40 GKEB Fc1c(F)c(C(F)(C(F)(F)F)C(F)(F)F)c(F)c(F)c1C(F)(F)F 95681774 CKGPOWZUEZFLPG-UHFFFAOYSA-N 386.082 5.551 30 40 GKEB CN1[C@@H]2CC[C@@H]1/C(=C\c1ccccc1Cl)C(=O)/C2=C\c1ccccc1Cl 101715886 BPSIHESMRAEMQU-JSOCIJOVSA-N 384.306 5.506 30 40 GKEB O=C(/C=C/c1ccccc1)C(C(=O)/C=C/c1ccccc1)C(=O)c1ccccc1 104345369 ZMDNJCKNYGMXBO-YWNVXTCZSA-N 380.443 5.051 30 40 GKEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1cccc(F)c1)C2=O 118916335 JPKPGSNREZFIQX-YHHICNLSSA-N 394.530 5.712 30 40 GKEB CCc1ccc2oc(-c3cc(N=Cc4cccc(OC)c4O)ccc3O)nc2c1 252610319 IAHSRJQCARUBRI-UHFFFAOYSA-N 388.423 5.228 30 40 GKEB CC(C)N(CCCON=C1CCCC/C1=C\c1ccc(Cl)cc1)C(C)C 299888259 BURFYXOPVVMBNO-FFXUOGENSA-N 376.972 6.179 30 40 GKEB N#Cc1ccc(COc2ccc(/C=C3\Sc4ccccc4NC3=O)cc2)cc1 409093580 AWJZGAMKHHVVRF-XKZIYDEJSA-N 384.460 5.223 30 40 GKEB O=C(/C=C/Sc1ncc(C(F)(F)F)cc1Cl)c1ccc(Cl)cc1 1391614 QHZJPUADIYYWMJ-AATRIKPKSA-N 378.202 5.896 30 40 GKEB O=C(Oc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O)c1cccs1 2344888 XVQPEMIFXVEIEO-YVLHZVERSA-N 382.824 5.237 30 40 GKEB O=C(O)c1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 4042684 CEOBBJDZSJPYKL-DNTJNYDQSA-N 392.267 5.261 30 40 GKEB Cc1cc(C)c2sc(N(Cc3cccnc3)C(=O)c3ccc(C#N)cc3)nc2c1 4273296 PNNIRYPRXNXJSN-UHFFFAOYSA-N 398.491 5.027 30 40 GKEB Cc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(C(C)C)cc1 4739389 ZXXDSLINQXJTLY-OEAKJJBVSA-N 376.460 5.572 30 40 GKEB Cc1ccc2nc(-c3ccc(C)c(/N=C/c4cc([N+](=O)[O-])ccc4O)c3)oc2c1 5418086 KOWDFHZSKLWFGL-FSJBWODESA-N 387.395 5.476 30 40 GKEB CCCCCOc1ccc(C(=O)Oc2ccc(/C=N/c3ccccc3)cc2)cc1 5418875 LSGJCBSCLAJWJJ-LGUFXXKBSA-N 387.479 6.225 30 40 GKEB N#CCCn1cc(/C=C/c2ccc3cccc([N+](=O)[O-])c3n2)c(-c2ccccc2)n1 5899881 XBFMZWHTMFYDRK-ACCUITESSA-N 395.422 5.091 30 40 GKEB Clc1ccccc1CN/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1 8811425 XSXCHGXTPFIIKO-FOKLQQMPSA-N 379.674 6.031 30 40 GKEB O=c1oc2ccccc2c(NC2CCCCC2)c1N/C(O)=N\c1ccc(F)cc1 28048648 XWEYHVNNXLJDSX-UHFFFAOYSA-N 395.434 5.334 30 40 GKEB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2ccc(F)cc2)cc1 33424229 MRERAJWRTLAZJW-LFIBNONCSA-N 398.437 5.583 30 40 GKEB CCCCCCCCn1cnc2c(sc3nc4c(cc32)COC(C)(C)C4)c1=O 53319308 SZSNFHVNEJKESZ-UHFFFAOYSA-N 399.560 5.218 30 40 GKEB CCCCCCCCCCCCC/C=C/[C@H](O)[C@H](CO)NC(=O)CCCCC 85894968 NPRJSFWNFTXXQC-WBJAFTEYSA-N 397.644 5.662 30 40 GKEB Cc1c(/N=C/C=C/c2ccccc2[N+](=O)[O-])cccc1-c1nc2ccccc2o1 102419346 SGQXIGCIYIHTPF-CLDIPPNSSA-N 383.407 6.127 30 40 GKEB CCCCCCCCNCc1cccc(OC)c1OCc1ccccc1Cl 102562064 DLYKYYGIEBTXMJ-UHFFFAOYSA-N 389.967 6.378 30 40 GKEB C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@@H]3[C@H]1CC[C@H]2OC(=O)c1ccccc1 263603838 NZGKYNGOBSDZNY-BEOWLDHZSA-N 378.512 5.354 30 40 GKEB C=CCn1c(CCCCCCC)nnc1SCC(=O)Nc1cccc(C)c1 408561316 HRHKRYYARHNNRC-UHFFFAOYSA-N 386.565 5.016 30 40 GKEB C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1ccccc1Cl 408813152 OJELEECEAOFEDP-UNOMPAQXSA-N 399.899 5.314 30 40 GKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(N4CCCCC4)cc3)S2)c(C)c1 408961067 QRBZYLRQJXUJTA-QNGOZBTKSA-N 391.540 5.185 30 40 GKEB C=C1CC[C@H](O)C/C1=C/C=C1/CCC[C@]2(C)[C@@H]1CC[C@@H]2[C@H](C)/C=C/[C@@H](C)C(C)C 503915935 MECHNRXZTMCUDQ-MTLDWHNUSA-N 396.659 7.641 30 40 GKEB C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1cc(C)ccc1C 2238175 PBAYTWXLAWPFPC-UHFFFAOYSA-N 399.947 5.606 30 40 GKEB O=C(/C=C/c1c2ccccc2cc2ccccc12)c1cc2ccccc2oc1=O 4268125 ZLFGXIHUEHESPY-BUHFOSPRSA-N 376.411 5.996 30 40 GKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3noc4c3CCCCC4)c2C#N)C1 4881302 LFJDGOOGHKSHIG-CYBMUJFWSA-N 397.544 5.280 30 40 GKEB C/C(=N\OCc1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1N1CCCC1 6261812 ZAHYVLXCWMGIQY-DHRITJCHSA-N 397.828 5.295 30 40 GKEB Clc1cccc(Cl)c1CN/N=C/c1ccc(OCc2ccccc2)cc1 9195099 DXDILIXSEWRJJA-ZMOGYAJESA-N 385.294 5.696 30 40 GKEB Cc1cc(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)c(C)n1-c1ccccc1 15012897 ACVMTTFMUBASMH-DEDYPNTBSA-N 391.471 5.125 30 40 GKEB CCCN1C(=O)/C(=C/c2ccccc2OC)S/C1=N/c1ccc(OCC)cc1 97464923 DLXDPNBXYVKBBC-PKEPYMRNSA-N 396.512 5.108 30 40 GKEB Cc1ccc(N2Cc3ccccc3/C2=N\C(=O)Nc2ccc(Cl)cc2)cc1C 102947759 JWUIFZQGRIDEPY-XTCLZLMSSA-N 389.886 5.956 30 40 GKEB N#Cc1cn(C(=O)/C=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c2ccccc12 226362378 ZVEZDMJLPFWLBL-PKNBQFBNSA-N 383.363 5.035 30 40 GKEB COc1ccc(/C=C2/C[C@H](C(C)(C)C)C/C(=C\c3ccc(OC)cc3)C2=O)cc1 245310036 GTIPXSAFWBZYKD-JAMNRSEDSA-N 390.523 6.196 30 40 GKEB C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccccc2)S/C1=N\c1ccccc1 408862077 IARFEJBQUWEFDR-ODZDUDKDSA-N 376.525 5.869 30 40 GKEB CCOc1cc2c(cc1/C=N\c1ccc(Oc3ccc(OC)cc3)cc1)OCO2 409094465 DGSQCFRJUKACCG-OYKKKHCWSA-N 391.423 5.366 30 40 GKEB CCOc1ccc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc1 780199 HBQVASLTZCNXJY-XMMPIXPASA-N 390.527 5.924 30 40 GKEB Cc1ccc2c(Cl)c(C(=O)Nc3sc4c(c3C#N)CCOC4)sc2c1 892384 OSXMQAYGCKTHAK-UHFFFAOYSA-N 388.901 5.121 30 40 GKEB C=CCOc1ccc(/C=C2\SC(=S)N(c3ccc(OCC)cc3)C2=O)cc1 1831991 FCCPVVGMMWZYQP-RGEXLXHISA-N 397.521 5.056 30 40 GKEB C=CCOc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3C2CCCCC2)cc1 5477596 DJPOFNXKCQOATH-OAQYLSRUSA-N 397.544 5.036 30 40 GKEB Cc1ccc(-c2nnc(SCc3ccc(C#N)cc3)n2Cc2ccco2)cc1 5478339 FARMVCYOPGXOGM-UHFFFAOYSA-N 386.480 5.059 30 40 GKEB C=CCn1c(-c2ccc(Cl)cc2Cl)cs/c1=N\c1ccc(Cl)cc1 5495049 NLADNSXHNMYUPY-PYCFMQQDSA-N 395.742 6.595 30 40 GKEB CCCOc1c(Br)cc(/C=N/c2cc(C)ccc2C)cc1OCC 6880609 CJZOLZXWYSSNOE-LPYMAVHISA-N 390.321 6.004 30 40 GKEB CC[C@H](C)c1ccc([C@H]2Sc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1 7449682 QTYJQCGTHBREMA-UPCLLVRISA-N 391.580 7.102 30 40 GKEB CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)Cc2ccccc2C#N)c1 13010441 CHHKOIXBYFVEDZ-IBGZPJMESA-N 383.495 5.280 30 40 GKEB CC(C)CNc1oc(-c2ccc(COc3ccc4ccccc4c3)o2)nc1C#N 33026983 SKLFKRFKWAPBAI-UHFFFAOYSA-N 387.439 5.606 30 40 GKEB CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCCC1 50860247 MTWYYOLAPKQZQU-UHFFFAOYSA-N 388.559 6.171 30 40 GKEB CC[C@H](CNc1oc(-c2ccc(Br)o2)nc1C#N)c1ccccc1 61997203 BTWYXJRMSASGSJ-GFCCVEGCSA-N 386.249 5.174 30 40 GKEB COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118915897 WDIPFMUQXPGENA-HUDCFXSHSA-N 386.576 5.724 30 40 GKEB C=CCN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 224722796 KCZITSQREOQHKI-UHFFFAOYSA-N 391.920 5.043 30 40 GKEB Oc1ccc2ccccc2c1C=Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 260840605 KHMPVSJWZMEKST-UHFFFAOYSA-N 383.291 6.334 30 40 GKEB COc1ccc(Cl)cc1-n1c(C)cc(/C=N/Nc2nc3ccccc3[nH]2)c1C 408588783 JRCXSXMMDSCVTD-FSJBWODESA-N 393.878 5.078 30 40 GKEB CCOC(=O)c1c(/N=C\c2ccccc2O[C@H](C)CC)sc2c1CCCC2 408603417 QRWGKRYRTMUZHV-JNCAFBRLSA-N 385.529 5.732 30 40 GKEB Cc1ccc(-c2nc3cc(NC(=O)c4ccc(C#N)cc4F)ccc3o2)cc1C 408623417 TZQIGZUCMFXLQO-UHFFFAOYSA-N 385.398 5.375 30 40 GKEB Cc1sc(/N=C/c2ccccc2OCc2cccc(Cl)c2)c(C#N)c1C 408816269 JFIXHZQVDQXJOW-WYMPLXKRSA-N 380.900 6.220 30 40 GKEB CCCCOc1ccc2ccccc2c1/C=N\NC(=S)Nc1ccccc1 409014541 QBEPUEDOYYKJGB-KQWNVCNZSA-N 377.513 5.339 30 40 GKEB C[C@@H](Nc1oc(COc2ccc(Br)cc2)nc1C#N)c1ccccc1 934554 SZUPKERYJMTITF-CYBMUJFWSA-N 398.260 5.061 30 40 GKEB C=CCSc1nc2c(c(=O)n1CCCC)C1(CCCCC1)Cc1ccccc1-2 2352179 PEJZVCCTLQECCB-UHFFFAOYSA-N 394.584 5.747 30 40 GKEB C=CCN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1nc(-c2ccccc2)cs1 3433617 ZLRYLXSZDVTVFJ-UHFFFAOYSA-N 399.859 5.205 30 40 GKEB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C/C(=C/c1ccc(Cl)cc1)C2=O 4061145 WCHUABIOEGJTRD-MRHULVGLSA-N 392.926 6.164 30 40 GKEB biogenic COc1ccc(C(=O)/C(=C\c2cccc(Cl)c2)c2nc3ccccc3o2)cc1 4747046 HVGBSMPJOSVXKP-XMHGGMMESA-N 389.838 5.913 30 40 GKEB CC1(C)CS/C(=N\Cc2ccccc2)N1C(=O)/C=C/c1ccc(Cl)cc1 6378197 HOXWXZIARCKROP-UHFGDYHPSA-N 384.932 5.263 30 40 GKEB Cc1c(CCC(C)C)c(N[C@H](C)c2ccccc2)n2c(nc3ccccc32)c1C#N 16249428 QWEACKPYWGXTHZ-LJQANCHMSA-N 396.538 6.429 30 40 GKEB C(=N/Nc1nnc(N/N=C/C2CCCCC2)c2ccccc12)\C1CCCCC1 17418706 DEIUFPGNYMZUAV-DFEHQXHXSA-N 378.524 5.586 30 40 GKEB FC(F)(F)c1ccccc1N/N=C1/C[C@@H](c2ccccc2)Oc2ccccc21 33958809 JSDZJJJXTWEHDH-GGMSWHNTSA-N 382.385 6.045 30 40 GKEB CCOc1c(Br)cc(/C=N/c2ccc(C)c(Cl)c2)cc1OC 59109326 BXGUEXYSKYZMLY-KEBDBYFISA-N 382.685 5.569 30 40 GKEB N#Cc1c(/N=C/c2nc3ccccc3[nH]2)oc(-c2ccccc2)c1-c1ccccc1 100419469 TYXJDTHLAZJVST-JVWAILMASA-N 388.430 6.112 30 40 GKEB CC[C@@]1(C)C[C@@](CC/N=C/c2ccccc2O)(c2ccccc2OC)CCO1 100576220 XTRWYLUNPNUULW-XFIYODHJSA-N 381.516 5.127 30 40 GKEB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/c2ccc(C)c(C)c2)cc1 102648948 KMNIKUWKYHHTDC-HZHRSRAPSA-N 379.481 5.130 30 40 GKEB Cc1ccc(/N=C\c2cc(Cl)cc(Cl)c2OC(=O)c2ccccc2)cc1C 104160169 ITBKMMTZWKUKGM-MXAYSNPKSA-N 398.289 6.580 30 40 GKEB CCCOc1ccc2ccccc2c1/C=C1\SC(=N)[C@H](c2nccs2)C1=O 137804735 IZONOJOPNYCBIM-NQQPCKHTSA-N 394.521 5.503 30 40 GKEB N#Cc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccccc1Br)[C@H]1CC=C[C@@H]21 408751906 AGCNPRHJMCXWET-BIENJYKASA-N 396.244 5.055 30 40 GKEB C#CCOc1c(Br)cc(CNc2ccc(C)c(Cl)c2)cc1OC 409113864 JEUNQWVKKVPXIE-UHFFFAOYSA-N 394.696 5.044 30 40 GKEB Cc1ccc(N/C(=N/c2ccccc2)C(c2ccccc2)c2ccccc2)cc1 1590083 QDKDQXZZOMEOFD-UHFFFAOYSA-N 376.503 6.969 30 40 GKEB N#Cc1ccc(-c2nc(-c3cccc(Cl)c3Cl)c(-c3ccccc3)[nH]2)cc1 2227273 RSYZLMPWOBINTJ-UHFFFAOYSA-N 390.273 6.589 30 40 GKEB O=C1C(=Cc2cn(-c3ccccc3)nc2-c2cccs2)C(=O)c2ccccc21 3255935 YACHHRLKUXKYPN-UHFFFAOYSA-N 382.444 5.063 30 40 GKEB COc1ccc(/C=C2/S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)cc1 4190232 UDZAQHIEXNBBFA-BUUFFXLRSA-N 392.524 5.632 30 40 GKEB O=C1N/C(=N\c2ccccc2)S/C1=C/c1ccc(OCc2ccccc2)cc1 5377054 MJPNOISTGWSNBA-RCCKNPSSSA-N 386.476 5.157 30 40 GKEB COc1ccc2cc(/C(C)=N/Nc3c(Cl)cc(Cl)cc3Cl)ccc2c1 5494706 VWPPTYJQPCFJAC-FOKLQQMPSA-N 393.701 6.645 30 40 GKEB CCc1ccc(/N=C/c2ccccc2OS(=O)(=O)c2ccc(C)cc2)cc1 8085128 CHQNMQYZPRYUKW-XQNSMLJCSA-N 379.481 5.076 30 40 GKEB COc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OCc1ccccc1 8368520 KBMBYSMBEFIEAE-AFUMVMLFSA-N 379.887 6.295 30 40 GKEB CCCCn1nc(C)c(C(=O)Nc2cccc(C#Cc3ccccc3)c2)c1Cl 12782838 ALBHULODQAYGQN-UHFFFAOYSA-N 391.902 5.297 30 40 GKEB C/N=c1/scc(-c2ccc(Cl)cc2Cl)n1/N=C/c1ccc(Cl)cc1 103371910 KDTLTJMIFUSALH-VFXHURPISA-N 396.730 5.590 30 40 GKEB CC(C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(C#N)cc4F)cc3)nc2c1 408626882 JCWHSVBHXLCQAF-UHFFFAOYSA-N 399.425 5.881 30 40 GKEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3cc(Cl)ccc3OC)c2C)cc1 408742169 NNRSTPBQRGXQKY-ZMOGYAJESA-N 396.874 5.293 30 40 GKEB C=CCn1c(C)c(/C=C2/SC(=S)N(c3ccccc3)C2=O)c2ccccc21 408902035 JYPKJICRHBFVRK-XSFVSMFZSA-N 390.533 5.542 30 40 GKEB Cc1nn(-c2ccccc2)c(C)c1/N=C/c1c(O)ccc2cc([N+](=O)[O-])ccc12 408973270 AFFJNDSLOBKHOT-YDZHTSKRSA-N 386.411 5.007 30 40 GKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3cccc(Cl)c3Cl)c2C#N)C1 409077575 DTDXPTJWOUJAFX-DDFZXGMKSA-N 391.367 6.828 30 40 GKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccc(-c3ccccc3)cc2)cc1OC 409384628 DPHLZERYHVOZAP-MOROIOLQSA-N 393.914 6.944 30 40 GKEB Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(O)c2)cc1 974253 UFGIYFPSYNNRJK-NIYFSFCBSA-N 396.490 5.680 30 40 GKEB Cc1ccc(/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)cc1Cl 1436818 PCTCHNOQPXDPRR-UFFVCSGVSA-N 375.211 6.221 30 40 GKEB C[C@@H]1CCc2c(sc(NC(=O)CCCOc3ccc(Cl)cc3)c2C#N)C1 1773662 PXYFRYYAQYULMP-CYBMUJFWSA-N 388.920 5.196 30 40 GKEB C(=N/n1c(SCc2ccccc2)nnc1-c1ccccc1)\c1cccs1 1780562 RJXQYXDSCFSEBQ-KGENOOAVSA-N 376.510 5.181 30 40 GKEB N#Cc1ccc(-c2cccc(C(F)(F)F)c2)nc1Sc1ccc(Cl)cc1 3128347 VSLDLCLARPAILG-UHFFFAOYSA-N 390.817 6.444 30 40 GKEB O=C(/C=C/c1cccc(Cl)c1)c1ccc(OC(=O)c2ccccc2F)cc1 4118380 CLLQEIKPJKNIFV-MDWZMJQESA-N 380.802 5.594 30 40 GKEB CCN(CC)c1ccc(/C=N/Nc2cc(C(F)(F)F)ccc2Cl)c(O)c1 5568124 ACOHYJYZFMYYMY-FOKLQQMPSA-N 385.817 5.357 30 40 GKEB COc1ccc(/C=C\C(=O)c2sc(Nc3ccc([N+](=O)[O-])cc3)nc2C)cc1 5732356 OHGLCSVSLZEULT-XGICHPGQSA-N 395.440 5.008 30 40 GKEB Clc1cc(Cl)c(N/N=C(/c2ccccc2)c2ncns2)c(Cl)c1 5899065 SXLXXTWYDJSOIL-BKUYFWCQSA-N 383.691 5.363 30 40 GKEB C#CC(CC)(CC)NC(=O)c1oc2ccccc2c1CSc1nc(C)cs1 7781264 FOSKPKQZKBWRBK-UHFFFAOYSA-N 398.553 5.412 30 40 GKEB Cc1ccc(/N=C/c2ccc(OCc3ccccc3F)c(Br)c2)cc1 8371860 MQGPFZNYYUQUGQ-ZMOGYAJESA-N 398.275 6.226 30 40 GKEB O=C1c2ccccc2[C@](/N=C/c2ccccc2)(c2ccccc2)N1c1ccccc1 18023054 NPIICIDOTBEWEA-ONNMZWHZSA-N 388.470 5.667 30 40 GKEB CCCCC1CCC(c2nc(C#N)c(N/N=C/c3ccc(Cl)cc3)o2)CC1 27562583 UPHNROWPABYXEZ-ZVHZXABRSA-N 384.911 6.110 30 40 GKEB C=CCc1cccc(/C=N/c2cccc(/N=C/c3cccc(CC=C)c3O)n2)c1O 39317431 QJHBOXLBZSUXHW-CTVDDJEBSA-N 397.478 5.451 30 40 GKEB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)c1cccc(N2CCOCC2)c1 48303610 ARZLUVABCQAYQS-CSKARUKUSA-N 393.870 5.333 30 40 GKEB Cc1ccc(-c2nc(N/N=C/c3ccc(F)cc3)sc2-c2ccccc2)cc1 59484350 VBRINACOGKAFAW-MFKUBSTISA-N 387.483 6.371 30 40 GKEB CCCCCCCC[N+](CCC)(CCCCCCCC)CCCCCCCC 59641257 JQVDSCBBKYAPBH-UHFFFAOYSA-N 396.768 9.295 30 40 GKEB O=C1/C(=N\c2ccc(Cl)nc2)C[C@H](c2ccccc2)N1c1ccc(Cl)nc1 104318703 IEDHRGHUGCVFDC-GGMUZDTOSA-N 397.265 5.034 30 40 GKEB CC(C)c1ccc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 135987171 ULSDWOUGLIOAAS-OBUXZSPNSA-N 398.531 6.619 30 40 GKEB CC(C)COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)c(C#N)c1 225685511 SNDARMHWCGULRY-UHFFFAOYSA-N 396.918 5.697 30 40 GKEB C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2OCc1ccccc1 253617125 IXRFWZFRWRUPEP-HGJFOVQVSA-N 378.556 6.104 30 40 GKEB O=C1/C(=C/c2ccccc2O)S/C(=N\c2ccccc2)N1C1CCCCC1 408727931 ZRXSLUZLHBGAIP-BLFRMDKKSA-N 378.497 5.329 30 40 GKEB Cc1cccc(-n2c(C)cc(/C=N/c3ccc(Nc4ccccc4)cc3)c2C)c1 408764432 IPKHIWOFINJXJX-OVVQPSECSA-N 379.507 6.897 30 40 GKEB CCc1cccc(C)c1-n1c(C)cc(/C=N/c2cccc(Br)c2)c1C 408842704 CBBVUAKIEPMVMR-ZVHZXABRSA-N 395.344 6.478 30 40 GKEB O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1ccc(F)cc1)Nc1ccccc1N2 710790 GAYJOKKVLXARKJ-IQMFZBJNSA-N 390.483 5.867 30 40 GKEB CCCCCCCCC[N+](C)(C)Cc1cn(Cc2ccccc2)c2ccccc12 2311597 BLTOTNMFHMMRNP-UHFFFAOYSA-N 391.623 7.017 30 40 GKEB CCCCCCCCC(=O)Oc1c[nH]c2cc(Cl)c(Br)cc12 2583755 IDBLIPXDRLAWIR-UHFFFAOYSA-N 386.717 6.240 30 40 GKEB Cc1cccc(C(=O)Oc2ccc(/C=N/c3ccc(C)cc3C)cc2[N+](=O)[O-])c1 3083262 LDAKHQJQRVKNTR-ZVHZXABRSA-N 388.423 5.490 30 40 GKEB CCc1ccc(NC(=O)C(C#N)(Cc2ccc(C)cc2)Cc2ccc(C)cc2)cc1 3278266 VEBYNDXFHJBNCT-UHFFFAOYSA-N 396.534 5.800 30 40 GKEB CCCN1C(=O)/C(=C\c2cc(Cl)ccc2OC)S/C1=N/c1ccccc1 4544181 AZDMXYVIMIMKPS-OUUNKBNMSA-N 386.904 5.363 30 40 GKEB CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@H]2c1ccc(Cl)cc1)OCCO3 4794467 HRQGHUYOZKFBSZ-OAQYLSRUSA-N 395.886 5.312 30 40 GKEB C[C@@H]1C/C(=N\NC(=S)Nc2cc(C(F)(F)F)ccc2Cl)CC(C)(C)C1 5834974 CPWRAWFFVIGDHR-KLVGSPFWSA-N 391.890 5.847 30 40 GKEB CCCOc1c(Br)cc(/C=C/C(=O)c2ccc(C)o2)cc1OC 12814759 PSMFVBQBSSSOMT-VOTSOKGWSA-N 379.250 5.044 30 40 GKEB O=C(O)c1cc(-c2ccc(/C=C3/Sc4ccccc4C3=O)o2)ccc1Cl 16524266 ZPWFYRKGVDZJMU-VCHYOVAHSA-N 382.824 5.628 30 40 GKEB O=C1/C(=C/c2ccccc2)S/C(=N/c2ccc(F)cc2)N1c1ccc(F)cc1 17166984 NEUTYJGEEKKTFP-SOMGSRHFSA-N 392.430 5.773 30 40 GKEB CN(c1cccc(/N=C/c2c3ccccc3cc3ccccc23)c1)S(C)(=O)=O 19855642 DEKUJJMHDMFVBZ-LFVJCYFKSA-N 388.492 5.139 30 40 GKEB CN1/C(=C\C(=O)CSc2nnc(C3CCCCC3)o2)C(C)(C)c2ccccc21 32945444 AWGCYZKGMDGIFV-UYRXBGFRSA-N 397.544 5.090 30 40 GKEB CCCCCCCn1cc(OC(C)=O)c2c1nc(C)n1c3ccccc3nc21 97954892 XUYNYDKUKAIOQS-UHFFFAOYSA-N 378.476 5.041 30 40 GKEB CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)OC 100091252 GGSURCIXQQGITI-UHFFFAOYSA-N 388.636 7.598 30 40 GKEB CCCCCCCC[C@@H](Nc1ccccc1)[C@@H](O)CCCCCCCC(=O)O 100696188 UPLSZYORZXQUHY-PKTZIBPZSA-N 391.596 6.394 30 40 GKEB CCc1ccccc1-n1c(C)cc(/C=N/c2ccc(-c3ccccc3)cc2)c1C 408966654 MUQHDRXOMZGHGW-TURZUDJPSA-N 378.519 7.074 30 40 GKEB C#CCOc1c(Br)cc(/C=N/c2ccc(C)c(Cl)c2)cc1OC 409209178 GFCRAGLIVQYRDX-SRZZPIQSSA-N 392.680 5.182 30 40 GKEB C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H](/C(C)=C/C=C(\C)C(C)C)CC[C@@H]12 1560410857 RQQBNTSMJYBAEV-WMLDODFGSA-N 394.643 7.705 30 40 GKEB O=C1c2cccc3c(/N=C/c4ccccc4O)ccc(c23)C(=O)N1c1ccccc1 821786 PVWWZKKBFATGNX-CVKSISIWSA-N 392.414 5.097 30 40 GKEB CCCC[C@@H]1S/C(=N\N=C\c2ccc(C)cc2)N(Cc2ccccc2C)C1=O 2338010 XAXZJBPFFIGWMZ-DZRHBTRISA-N 393.556 5.328 30 40 GKEB Clc1ccc(-c2nc(N/N=C/c3ccccc3Cl)c3ccccc3n2)cc1 4832153 AUIGQGVTWHIDGF-ZMOGYAJESA-N 393.277 6.050 30 40 GKEB FC(F)Oc1ccc(/C=N/Nc2ccccc2C(F)(F)F)c(OC(F)F)c1 6047380 LTWPSUDMNCINQF-KTZMUZOWSA-N 396.262 5.354 30 40 GKEB FC(F)(F)c1ccccc1N/N=C/c1c(-c2ccccc2)[nH]c2ccccc12 6049235 PYUXYTYOPIFZEU-VULFUBBASA-N 379.385 6.300 30 40 GKEB O=C1N/C(=N/c2ccc(Cl)cc2C(F)(F)F)S/C1=C/c1cccs1 6101830 XAMZRKKJCUBBCM-KPKJPENVSA-N 388.823 5.312 30 40 GKEB CCCCN1C(C)=NC(C(F)(F)F)(C(F)(F)F)C2=C1CC(C)(C)CC2=O 20393595 LTIXSYUDOJDMEM-UHFFFAOYSA-N 384.364 5.027 30 40 GKEB C=C1C[C@@]2(C)[C@@H](CC[C@H]2OC(C)=O)[C@@H]2CC[C@H]3C[C@H](OC(C)=O)CC[C@]3(C)[C@@H]12 25544239 ACOZANUSWBYJDV-SZMXVKILSA-N 388.548 5.059 30 40 GKEB COc1ccc(/N=C\c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1 100349859 XWKWJHPLVKGHMO-OYKKKHCWSA-N 394.858 5.117 30 40 GKEB CCOc1ccc(-c2nc(N/N=C3\C[C@@H]4CC[C@]3(C)C4(C)C)sc2C)cc1 100929631 YOKLJHCYODIKQE-PLOLVQCCSA-N 383.561 6.131 30 40 GKEB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)C#Cc1ccccc1 118914926 WMAFYLBLTLVKOY-KZPPUNKBSA-N 376.584 6.202 30 40 GKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(C(C)(C)C)cc2)C(=O)N1C 213161531 HBTVWVZISCFMDT-ADGFTTEDSA-N 378.541 5.780 30 40 GKEB Cc1ccc(C(=O)/C=C/c2cn(Cc3ccccc3Cl)c3ccccc23)cc1 408692642 RLIUEBOBIPXDGJ-CCEZHUSRSA-N 385.894 6.548 30 40 GKEB Cc1c(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)cccc1C(=O)O 409065250 HBHCFPQUKRVWJH-YDZHTSKRSA-N 381.884 6.248 30 40 GKEB CCCCN1C(=O)/C(=C\c2ccc(C(=O)O)cc2)S/C1=N\c1ccc(C)cc1 4660360 DBAKHICPHUDAQB-XGHAMVSDSA-N 394.496 5.097 30 40 GKEB FC(F)(F)c1cc(N/N=C/c2cccc(Cl)c2)nc(-c2ccccc2)n1 4713111 RWTNMCBNIQOIAR-FOKLQQMPSA-N 376.769 5.262 30 40 GKEB C=CCn1c(SCC(=C)C)nc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 4822458 QHBZJGSYPXLORC-CQSZACIVSA-N 388.602 5.463 30 40 GKEB COc1ccc(/C=N/Nc2nc(-c3ccccc3Cl)nc3ccccc23)cc1 4828657 IAIJHUCMOPHTSV-ZVHZXABRSA-N 388.858 5.405 30 40 GKEB O=[N+]([O-])c1ccc(C2=C(O)c3ccccc3/C2=N/c2cccc(Cl)c2)cc1 6535802 GKCXYIMOIMUFOI-ATJXCDBQSA-N 376.799 5.809 30 40 GKEB CCCOc1c(Cl)cc(/C=C/C(=O)c2ccc(O)c(OC)c2)cc1OCC 13008383 YFBWNEXTDLFVOG-SOFGYWHQSA-N 390.863 5.138 30 40 GKEB CCCCCCCCn1c([C@H](C)c2ccc(CC(C)C)cc2)nc2ccccc21 50704984 UYZCJMMDLYUBIX-JOCHJYFZSA-N 390.615 7.747 30 40 GKEB Cc1ccccc1C(=O)Oc1ccc(/C=N/Nc2nc3ccccc3s2)cc1 59194498 LNWCJELXERALII-OEAKJJBVSA-N 387.464 5.270 30 40 GKEB C=C(C)C[C@@H]1N[C@H]2CC(C)(C)[C@H]1c1c(Br)ccc(Br)c12 100011380 LQZVTORZIAYQLZ-HEHGZKQESA-N 399.170 5.704 30 40 GKEB O=C(/C=C/Nc1cccc(C(F)(F)F)c1)c1ccc(Oc2ncccn2)cc1 100408169 UCOMOUVICGMPOV-FMIVXFBMSA-N 385.345 5.096 30 40 GKEB O/N=C1/CCCCCC[C@H]1Sc1nc(-c2ccccc2)c(-c2ccccc2)o1 100938983 JSXAOWJDWBUNRJ-TTWQBBKJSA-N 392.524 6.654 30 40 GKEB C=CCN1C(=O)S/C(=C\c2ccc3c(c2)C(C)=CC(C)(C)N3C(C)C)C1=O 223493118 NZNZCKNSBMWAHV-UNOMPAQXSA-N 382.529 5.319 30 40 GKEB C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2CC[C@@]2(C)[C@H](OC(=O)c3ccccc3)CC[C@H]12 253530723 RZJSCADWIWNGKI-HTAMAPHKSA-N 392.539 5.744 30 40 GKEB biogenic Fc1ccccc1/C=N/c1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1 408722256 FWPGENQJNGIGHM-AFUMVMLFSA-N 392.886 7.020 30 40 GKEB Cc1cccc(NC(=O)COc2ccc(/C=N/c3ccccc3)cc2Cl)c1 409214537 VUDQAIIILZZETO-ZVHZXABRSA-N 378.859 5.417 30 40 GKEB C=C[C@@H](C)N1C(=O)S/C(=C\c2ccc(Sc3ccc(C)cc3)cc2)C1=O 409239791 FEJFLJKNECIMJW-JPVKTXQWSA-N 381.522 5.757 30 40 GKEB Cc1c(Br)cc(/C=C2\Cc3ccccc3C2=O)cc1Br 409367662 CWDBPDUQIANNER-AWNIVKPZSA-N 392.090 5.342 30 40 GKEB O=C(c1cc(F)ccc1Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575243091 XWZJEXFPZYRUKB-UHFFFAOYSA-N 376.577 5.130 30 40 GKEB Cc1c(-c2ccc(/C=N/c3sc4c(c3C#N)CCC4)o2)ccc([N+](=O)[O-])c1C 714038 HIISUUZYKHUQKD-FOKLQQMPSA-N 391.452 5.644 30 40 GKEB N#Cc1c(NC(=O)c2ccccc2CCc2ccccc2)sc2c1CCCC2 1769318 BFUZPDYMBVEGLG-UHFFFAOYSA-N 386.520 5.536 30 40 GKEB Cc1ccc(O)c(/C=N/c2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)c1 3113741 JSNFXSBUMJGZEX-BHGWPJFGSA-N 397.261 6.566 30 40 GKEB Cc1ccc(NC(=NC(=O)C(Cl)(Cl)Cl)Nc2ccc(C)cc2)cc1 4713858 JIFRVHALUWAUMD-UHFFFAOYSA-N 384.694 5.080 30 40 GKEB CCC[C@@H]1C2=C(CCCC2=O)Nc2c1c(C)nn2-c1ccccc1C(F)(F)F 4948753 VKWCBUUXIKJYCN-ZDUSSCGKSA-N 389.421 5.516 30 40 GKEB CCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(F)cc1 18276103 DINDKYCVVXFCMR-HSZRJFAPSA-N 378.447 5.133 30 40 GKEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C[C@H]1[C@@H]2C(=O)C=C2CCCC[C@@H]21 118936482 RWSNWUWVSNWYPS-SHOVYKMPSA-N 394.599 5.852 30 40 GKEB CCOc1ccc(Cl)cc1/C=N\c1ccc(I)cc1 409108689 YOJNAJDEMCYKTC-ZDLGFXPLSA-N 385.632 5.094 30 40 GKEB C[C@@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccccc1F)C2=O 1857622241 GEMAOHATSXXMSE-DSMJHQMSSA-N 394.530 5.712 30 40 GKEB Cc1ccc2oc(-c3cc(/N=C/c4c(O)ccc5ccccc45)ccc3O)nc2c1 3066482 JXFJAYZQDBNWJX-VULFUBBASA-N 394.430 6.118 30 40 GKEB N#Cc1ccc(/C=N/c2sc3c(c2-c2nc4ccccc4s2)CCCC3)cc1 3236153 BEAZAHOKXGZYGJ-AFUMVMLFSA-N 399.544 6.526 30 40 GKEB Clc1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 4039064 LSFLDFZVAVGTSH-DNTJNYDQSA-N 382.703 6.216 30 40 GKEB O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1ccc(Cl)c(Cl)c1 4596640 XRNILPLIGYLCKV-RIYZIHGNSA-N 383.687 5.538 30 40 GKEB CCOc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(C(C)C)cc1 4740364 LLTDZAMYPRHIMM-RAFCBBKXSA-N 390.527 5.962 30 40 GKEB CC[C@@H]1S/C(=N/N=C/c2ccccc2)N(Cc2cccc3ccccc23)C1=O 4899327 AXNFSPPJHCLVRS-PTHMFHIQSA-N 387.508 5.084 30 40 GKEB O=[N+]([O-])c1ccc(-c2ccc(/N=C/c3nc(-c4ccccc4)oc3O)cc2)cc1 5015473 NBGHVNMJIUCDCX-OEAKJJBVSA-N 385.379 5.373 30 40 GKEB FC(F)(F)c1ccc(/C=N/Nc2nc3ccccc3nc2C(F)(F)F)cc1 5519441 HMFMVXTYBMTYPL-PGGKNCGUSA-N 384.283 5.113 30 40 GKEB Cc1[nH]c2ccccc2c1/C=N/Nc1ncnc2scc(-c3ccccc3)c12 5556928 WJFQDECQIIGXBM-OPEKNORGSA-N 383.480 5.594 30 40 GKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1ccc(Cl)c(Cl)c1 5943791 AQRLMQJKMWRPJN-IFRROFPPSA-N 378.137 5.366 30 40 GKEB O=C(O)c1ccc(N/N=C/c2cccc(OCc3ccccc3Cl)c2)cc1 6884570 SGTYGFHMHYQORN-YDZHTSKRSA-N 380.831 5.063 30 40 GKEB C=CCOc1ccc(C(=O)N(Cc2ccc(Cl)cc2)c2ccccn2)cc1 11916272 FOCZGFNBNHLWTC-UHFFFAOYSA-N 378.859 5.147 30 40 GKEB O=C1CCCC2=C1[C@H](c1ccco1)N(Cc1cccc(F)c1)c1ccccc1N2 15826349 FUVMXFJIEPHZHU-DEOSSOPVSA-N 388.442 5.599 30 40 GKEB COc1ccc(/C=N/Nc2nc(-c3ccccc3)c3ccc(C)cc3n2)c(OC)c1 79068444 JCIVNBORYVXISM-MFKUBSTISA-N 398.466 5.068 30 40 GKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(Cl)cc3)c2C)cc1 100212149 ANYMMBPXVSYFRM-ZVHZXABRSA-N 380.875 5.675 30 40 GKEB CCN1c2cc(C)c(/C=N/c3ccc(NC(C)=O)cc3)cc2C(C)=CC1(C)C 198163789 XWQDTSVFMAHOOD-MFKUBSTISA-N 375.516 5.726 30 40 GKEB COc1cc(/C=N/c2cccc(C)c2C)ccc1OCc1cccc(Cl)c1 409214177 WDKGCMDAEWQKMS-AFUMVMLFSA-N 379.887 6.295 30 40 GKEB CC1(C)OC(c2ccccc2)=C/C(=C/C=N/c2sc3c(c2C#N)CCCC3)O1 2070637 PLXNMQAEHDCQRR-VFSYRRJFSA-N 390.508 5.909 30 40 GKEB N#Cc1ccsc1NC(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1 3486741 PGJMCCYHTXXXFD-UHFFFAOYSA-N 394.308 5.231 30 40 GKEB COc1ccccc1/C=N/Nc1nc(-c2ccc(Br)cc2)cs1 4409916 XSXYSYZQQWSSLD-VXLYETTFSA-N 388.290 5.027 30 40 GKEB C=CCn1c(SCc2ccc(C(C)(C)C)cc2)nc2sc(C)c(C)c2c1=O 6169428 RNXFYCYBHSWSMB-UHFFFAOYSA-N 398.597 5.851 30 40 GKEB O=C(/C=C/c1ccc(-c2cccc(Cl)c2)o1)c1cc(Cl)ccc1Cl 6888828 YJFXIJZTFCPNKU-VMPITWQZSA-N 377.654 6.803 30 40 GKEB COc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1Br 8160158 UKIUCFIESXPMQF-HYARGMPZSA-N 382.257 6.001 30 40 GKEB Cc1ccc(C)c(/N=C/c2ccc(OCc3cccc4ccccc34)c(Cl)c2)c1 8368040 OCLJQZZUILRKKM-LQKURTRISA-N 399.921 7.440 30 40 GKEB O=C(Nc1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1)c1cccs1 16430566 HEKSTANIVMQXFH-UFFVCSGVSA-N 391.279 5.763 30 40 GKEB CC(C)(C)C1C/C(=C/c2ccccc2Cl)C(=O)/C(=C/c2ccccc2Cl)C1 17281862 URPRDKNLDCYRPM-MGYAYREDSA-N 399.361 7.486 30 40 GKEB O=C(NCc1ccccc1)c1c(/N=C/c2ccc(O)cc2)sc2c1CCCC2 18154589 VOKMILHCLAZPNO-MFKUBSTISA-N 390.508 5.013 30 40 GKEB CCCN(CCC)Cc1c(O)ccc2c1O/C(=C/c1cc3ccccc3o1)C2=O 20647778 OLZKXKQHUCMHPA-HYARGMPZSA-N 391.467 5.377 30 40 GKEB CSC(SC)=C1C[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)C1=O 28294612 GXGUEROTNOGLSZ-GIWDSIGISA-N 378.647 6.536 30 40 GKEB O=[N+]([O-])c1ccc(Sc2ccc(/N=C/c3ccc(N4CCCC4)o3)cc2)cc1 59138613 GFXLEKHGUPVUOK-PXLXIMEGSA-N 393.468 5.690 30 40 GKEB N#Cc1nc([C@@H]2C[C@H]2c2ccccc2)oc1N1CCC(Cc2ccccc2)CC1 96346652 ZTAYBSVDLKTBQJ-FCHUYYIVSA-N 383.495 5.276 30 40 GKEB O=C(/C=C\c1ccccc1)C(C(=O)/C=C/c1ccccc1)C(=O)c1ccccc1 104345364 ZMDNJCKNYGMXBO-JQNBNMKOSA-N 380.443 5.051 30 40 GKEB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)c(C#N)c1 225756214 XOQIICKHFMOQIS-GOSISDBHSA-N 376.500 5.576 30 40 GKEB CC[C@@H](C)N1C(=O)/C(=C\c2ccc3c(c2)OCO3)S/C1=N\c1ccc(C)cc1 408916345 WMTWKZKHWPSWNR-DWSSRPCKSA-N 394.496 5.126 30 40 GKEB CCN(CC)c1ccc(/N=C/c2ccc(-c3ccc(C(=O)O)cc3C)o2)cc1 408962198 QWGWPRUVIZCVGQ-BUVRLJJBSA-N 376.456 5.550 30 40 GKEB CCOc1ccc(/N=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)cc1 409216314 GYEXFQILJKKVLB-HAHDFKILSA-N 376.412 5.323 30 40 GKEB O=C1/C(=C(\O)C(F)(F)F)CCCC/C1=C\c1cccc(Br)c1 409357112 IYKSCDVGKZPXAS-FYIWHTENSA-N 375.184 5.350 30 40 GKEB COc1ccc(Br)cc1/C=N/c1ccc2nc(SC)sc2c1 712213 WECIHGKCWZOPJT-GIJQJNRQSA-N 393.331 5.540 30 40 GKEB C=CCSc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3 2319541 BPRJVIGOVWYXGI-UHFFFAOYSA-N 399.585 5.567 30 40 GKEB Cc1cc([N+](=O)[O-])c(C)cc1-c1ccc(/C=N/c2ccc(Cl)c(Cl)c2)o1 3072533 FFMGISTZXOUHSC-LSHDLFTRSA-N 389.238 6.529 30 40 GKEB c1ccc2c3c(ccc2c1)CCC/C3=N\N=C1/CCCc2ccc3ccccc3c21 4592748 XTBNUTYWLHXYLG-XDHTVYJESA-N 388.514 6.859 30 40 GKEB COc1ccc(/C=N/Nc2c(Cl)cc(Cl)cc2Cl)c(OC)c1OC 5019384 DJGMRHSEWBIBJZ-DNTJNYDQSA-N 389.666 5.119 30 40 GKEB O=C1N/C(=N/c2ccc3ccccc3c2)S/C1=C/c1ccc(Br)o1 5376733 ITHCBUQUTXPDDZ-XNTDXEJSSA-N 399.269 5.087 30 40 GKEB Cc1ccc(C)c(/N=C/c2cc(Cl)ccc2OS(=O)(=O)c2ccccc2)c1 8367998 JCBGGNZKLATMBA-OEAKJJBVSA-N 399.899 5.475 30 40 GKEB Cc1ccc(/N=C/c2ccc(OCc3cccc4ccccc34)c(Cl)c2)cc1 8371883 HNRZINVCPILXQS-JVWAILMASA-N 385.894 7.131 30 40 GKEB CC(C)(C)c1ccc(-c2nnc(SCCC#N)n2-c2ccc(Cl)cc2)cc1 12621308 OTOLABDGPNNPCB-UHFFFAOYSA-N 396.947 5.891 30 40 GKEB Cc1cccc(N2C(=S)N/C(=N\c3c(C)cccc3C)C23CCC(C)CC3)c1 13302840 CDZNWXFLDDNHCW-UHFFFAOYSA-N 391.584 5.985 30 40 GKEB C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1SCCC#N 95953444 QORMIUNWNICAFA-ZDUSSCGKSA-N 376.934 5.465 30 40 GKEB CCCCc1ccc(/N=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 100384406 GZUOLSIEJAWUKS-WPWMEQJKSA-N 391.486 6.507 30 40 GKEB CCCCCCCCCCCCNC(=O)CSc1nc2ccccc2s1 100944047 OPWJYUMQRICMAT-UHFFFAOYSA-N 392.634 6.426 30 40 GKEB c1ccc([C@]23c4ccccc4/C(=N/C4CCCCC4)[C@@H]2N3C2CCCCC2)cc1 104083547 SHSOKWPHFHWYHE-FLWHCBFISA-N 384.567 6.083 30 40 GKEB CCCCCCCCCCCCCCCCNCCCCCCCC(=O)O 104338805 CDJVLWUCVZASPM-UHFFFAOYSA-N 383.661 7.483 30 40 GKEB C=CCSc1ccccc1C(=O)Nc1ccc(CSc2ccccc2)cc1 219801969 XXCMMVGYSDZEQO-UHFFFAOYSA-N 391.561 6.509 30 40 GKEB CC(C)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)c(C#N)c1 225751307 CEVFKKUNKXRXOC-UHFFFAOYSA-N 382.891 5.449 30 40 GKEB Cc1oc(/N=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)c(C#N)c1C 408955729 PACUMPKSTJCXEX-FSJBWODESA-N 375.384 5.006 30 40 GKEB Cc1ccc(/N=C/c2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1Cl 409209374 DXUBOTOSDSCSIV-BRJLIKDPSA-N 388.269 6.771 30 40 GKEB N#Cc1nc(-c2cccc3ccccc23)oc1NCCc1cccc2ccccc12 526052403 IWAHXYDPPGHIKJ-UHFFFAOYSA-N 389.458 6.174 30 40 GKEB Oc1ccc(Br)cc1/C=N/c1ccc(-c2nc3ccccc3o2)cc1 917852 IZGDIYAXBKQQQU-WSDLNYQXSA-N 393.240 5.714 30 40 GKEB CN1[C@H](c2ccccc2)CC(=NOC(=O)c2ccccc2)C[C@@H]1c1ccccc1 4963744 XMEJIFOWMQOPDN-PSWAGMNNSA-N 384.479 5.408 30 40 GKEB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1cc2ccccc2o1 6595040 KRKYDNCOJCKKRA-FOCLMDBBSA-N 390.442 6.182 30 40 GKEB COc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 8116487 ARTZNLSIJRRMGA-YDZHTSKRSA-N 396.830 5.586 30 40 GKEB C/N=c1\scc(-c2ccc(Cl)c(Cl)c2)n1/N=C/c1ccc(C)cc1C 12603439 UAOCMLKSUVEPRN-MXJOPYGZSA-N 390.339 5.553 30 40 GKEB S=C(N/N=C\c1ccc(Sc2ccc(Cl)cc2)o1)Nc1ccccc1 33660017 ZRYVURWFKNYFHR-NDENLUEZSA-N 387.917 5.405 30 40 GKEB COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3c(-c4ccccc4)cnn32)cc1 72333077 ISOQFAIBTNAITN-HSZRJFAPSA-N 399.494 5.217 30 40 GKEB COc1cccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1OC 107616379 RIFDEHBUGXHSTF-WGOQTCKBSA-N 375.512 5.922 30 40 GKEB COC(=O)c1cccc(Cn2cc(/C=N\c3ccccc3F)c3ccccc32)c1 408544816 VIKYYHCJBKWIBC-WGARJPEWSA-N 386.426 5.366 30 40 GKEB CCCCCCCCNC(=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1 408721640 KITIFZSKSRJHKU-UHFFFAOYSA-N 387.527 5.901 30 40 GKEB O=C(O)c1ccc(COc2ccccc2/C=N\c2ccc3ccccc3c2)cc1 408960559 MSSYINXARAINEG-QQXSKIMKSA-N 381.431 5.868 30 40 GKEB COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1Cl 1428685 ZFPLXJQHNFEJOP-OAQYLSRUSA-N 382.891 5.571 30 40 GKEB Cc1cccc(C[C@@H]2S/C(=N\N=C\c3ccccc3)N(c3ccccc3)C2=O)c1 1909040 IPDOZXNMKSRPHL-MBZZRXAISA-N 399.519 5.076 30 40 GKEB Cc1cccc(/C=N/c2ccccc2-c2ccccc2/N=C/c2cccc(C)c2)c1 2848888 DSYPDJCFSCKGRJ-CZYCKNNWSA-N 388.514 7.472 30 40 GKEB COc1ccc(/C=N/c2ccc([N+](=O)[O-])cc2Br)c2ccccc12 4309429 VALLGABXUNEOHC-RGVLZGJSSA-N 385.217 5.270 30 40 GKEB COc1ccc(C(=O)/C=C/c2ccc(OC)c(COc3ccccc3F)c2)cc1 5007385 WKUCUGWFVSZSQX-NTUHNPAUSA-N 392.426 5.318 30 40 GKEB CCCCC(=O)Nc1cccc(/N=C/c2cc(Cc3ccccc3)ccc2O)c1 6396828 VXXMHSKPMUTZIH-NLRVBDNBSA-N 386.495 5.862 30 40 GKEB Cc1ccc(N/C=C2/S/C(=N\c3ccc(Cl)cc3)N(C)C2=O)cc1Cl 6449765 BTQUDGMEZKDJMJ-YWGDSDGQSA-N 392.311 5.448 30 40 GKEB CCCCCCc1nc(N)c(C#N)c(-c2ccccc2OC)c1CCCCC 19832281 DPIRDCDGGFNICD-UHFFFAOYSA-N 379.548 6.067 30 40 GKEB CCCCCCCCCCCCCC/C=C/C(F)(F)C(F)(F)C(F)(F)F 103530979 LUBDIABUUNKPEE-FOCLMDBBSA-N 392.443 8.467 30 40 GKEB C=C(C)COc1cccc(C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 219791897 FXQJMDDNCJHUIB-FQEVSTJZSA-N 392.543 5.369 30 40 GKEB N#Cc1cn(C(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c2ccccc12 226361798 KREVTHDHEAEAML-UHFFFAOYSA-N 381.218 5.768 30 40 GKEB COC(=O)c1cccc(Cn2cc(/C=N\c3ccc(OC)cc3)c3ccccc32)c1 408545553 ZTVKEGNBCXDCID-YSMPRRRNSA-N 398.462 5.235 30 40 GKEB CC[C@H](C)N1C(=O)/C(=C\c2ccc(OC)cc2)S/C1=N\c1ccc(C)cc1 408909149 GEMFRVWWELOVKS-HWEIEWAYSA-N 380.513 5.406 30 40 GKEB COc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1 408953566 OPSQHPBOLYCPRT-WRSKWDDUSA-N 380.491 6.272 30 40 GKEB COc1ccc(Cl)cc1/N=C/c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O 409084018 MANBRGYQDVVVMB-VULFUBBASA-N 395.930 6.273 30 40 GKEB O=C(c1csc2ccccc12)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575243243 YMWCQMJZAHOZOG-UHFFFAOYSA-N 380.231 5.552 30 40 GKEB CCCCCCCCCC[C@@H](CCCCCCCC)Cc1ccc(C=O)s1 1776011013 QFPJYJIXDLMHSI-HSZRJFAPSA-N 392.693 9.001 30 40 GKEB CCn1c2ccccc2c2cc(/N=C/c3cc(Br)ccc3O)ccc21 2322724 LTHSAPPDVCZGMW-YDZHTSKRSA-N 393.284 6.033 30 40 GKEB Cc1cccc(N/N=C(/C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)c1C 4175497 QNFQSHQIBMRPTQ-MEFGMAGPSA-N 388.540 5.965 30 40 GKEB Cc1ccc2cc(C#N)c(SCC(=O)Nc3cccc(Cl)c3)nc2c1C 4849117 VEZAHCIJFFQOEA-UHFFFAOYSA-N 381.888 5.108 30 40 GKEB O=C(c1csc2c1CCCC2)N1CCS/C1=N\c1ccccc1Cl 6936333 ODJGKBFOZZQAEX-ZZEZOPTASA-N 376.934 5.157 30 40 GKEB CCOc1cc(/C=N/c2ccc(CC)cc2)ccc1OCc1ccc(F)cc1 8084898 NWWXQBDUVSMYML-WGOQTCKBSA-N 377.459 6.116 30 40 GKEB CCCCCCCC[C@@H]1C[C@H]1C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1 8427297 TXARVQHFADSRPS-NFBKMPQASA-N 392.543 6.264 30 40 GKEB O=C1/C(=C\c2c[nH]c3ccccc23)S/C(=N/c2ccccc2)N1C1CCCC1 20528862 FJBJZTKHQVRSBI-LRXZINBSSA-N 387.508 5.715 30 40 GKEB Clc1ccc(/C=N/C2=N[C@@H](c3ccco3)[C@@H](c3ccco3)S2)c(Cl)c1 59461328 BYHMDPNBWWCVOH-FXMMDWOBSA-N 391.279 6.184 30 40 GKEB C=C(C)COc1ccc(-c2ncnc(C(F)(F)F)c2-c2ccccc2)c(O)c1 96902110 IEWWFTJUALJWJO-UHFFFAOYSA-N 386.373 5.490 30 40 GKEB Cc1oc(/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c(C#N)c1C 100251823 CMJPFNMDWMCPBK-FSJBWODESA-N 375.384 5.006 30 40 GKEB CC1(C)CC2=NC3=C(C(=O)c4ccccc43)[C@H](c3ccc4c(c3)OCO4)C2=C(O)C1 104158366 LEKZHWKHVWXRTB-HXUWFJFHSA-N 399.446 5.193 30 40 GKEB Cc1ccc(/C=C2\C[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)o1 118916233 MWZAYFFYSWKEHF-KNXJIRMBSA-N 380.528 5.474 30 40 GKEB C=C1C[C@]2(C)[C@@H](OC(C)=O)CC[C@H]2[C@@H]2CC[C@H]3C[C@@H](OC(C)=O)CC[C@]3(C)[C@@H]12 118935548 ACOZANUSWBYJDV-OPKHLUCYSA-N 388.548 5.059 30 40 GKEB CCN(CC)c1ccc(/N=C/c2cc(C)n(-c3ccc4ncccc4c3)c2C)cc1 143853303 BFQSCYONXOXJTN-MTDXEUNCSA-N 396.538 6.239 30 40 GKEB COc1ccc(/C=N/c2ccc(N3Cc4cc(C)c(C)cc4C3)cc2)c(OC)c1 408733595 LJXDRZAVPOGALI-VULFUBBASA-N 386.495 5.591 30 40 GKEB Cc1cc(C)cc(-n2c(C)cc(/C=N\Nc3ccc(C(F)(F)F)cc3)c2C)c1 408932805 ZHZUTHWTDMFNHO-ZMFRSBBQSA-N 385.433 6.176 30 40 GKEB CC[C@H](C)Oc1ccc(/C=N/c2ccc(C(=O)OC)c(Cl)c2)cc1Cl 409013538 BDVYRZSPHXQNTQ-JHAVZTMOSA-N 380.271 5.708 30 40 GKEB CC1=NOC(=O)/C1=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1Cl 409092884 WNCYOOLSUPKGKP-AUWJEWJLSA-N 396.657 5.542 30 40 GKEB O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccc(-c3ccccc3)cc2)c1O 409100949 XJJUROVDNRMUCV-CIAFOILYSA-N 397.228 5.481 30 40 GKEB CCOc1ccc(-n2c(C)cc(/C=N\c3cc(C)c(C)c([N+](=O)[O-])c3)c2C)cc1 409186897 JFSKAESTPJFMNK-OYKKKHCWSA-N 391.471 5.768 30 40 GKEB CCCCCCCCN[C@@H](c1ccc(Cl)cc1)[C@@H](O)c1ccc(Cl)cc1 1668719 PROPYXUGBLJQGO-VXKWHMMOSA-N 394.386 6.718 30 40 GKEB N#Cc1ccc(COC(=O)c2ccc(-c3nc4ccccc4s3)s2)cc1 3296421 JDSBZOJEZFJQOX-UHFFFAOYSA-N 376.462 5.253 30 40 GKEB Cc1cccc(CO/N=C/c2c(-c3ccc(Cl)cc3)nc3cc(C)ccn23)c1 4024654 ZPJDATPDJCXBKA-AFUMVMLFSA-N 389.886 5.822 30 40 GKEB COc1ccccc1Nc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N 4550782 WGZJKVWDQKJKFW-UHFFFAOYSA-N 377.447 6.039 30 40 GKEB CC(C)c1ccc(/C=C2/S/C(=N/N=C3\C[C@@H]4CC[C@@]3(C)C4(C)C)NC2=O)cc1 4628437 PFCOYQMSNQEBGY-SFGOVANPSA-N 395.572 5.572 30 40 GKEB CCCOc1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1OCC 4739406 GOCRFTSWDFVSJX-UHFFFAOYSA-N 396.483 5.002 30 40 GKEB CN(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccco2)cc1 4973593 UMIYXWUXIGYUBO-SSOJOUAXSA-N 399.494 5.325 30 40 GKEB Cc1ccc(Cc2c(C)c(C#N)c3nc4ccccc4n3c2N2CCCC2)cc1 5249085 OLLPIBNAIXYPDO-UHFFFAOYSA-N 380.495 5.167 30 40 GKEB Cc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)cc1 6190081 OFCSYKLDTCACHO-CFRMEGHHSA-N 378.497 5.209 30 40 GKEB COc1ccc(/C=C/C(=O)c2cc(C)sc2C)cc1COCC(F)(F)F 6922044 QIXVOWVKEIESQF-GQCTYLIASA-N 384.419 5.349 30 40 GKEB CCc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 8084992 XDEAJHVXYHWTSO-AFUMVMLFSA-N 384.306 6.885 30 40 GKEB Cc1cccc(OCc2ccc(-c3nc(C#N)c(N(C)Cc4ccccc4)o3)o2)c1 8844546 IESHALCOKBIEDT-UHFFFAOYSA-N 399.450 5.330 30 40 GKEB C=CCn1c(-c2ccccc2)cs/c1=N/c1ccc(/N=N/c2ccccc2)cc1 102938078 WNPQZMUQUVPQNJ-JQRDNDPDSA-N 396.519 7.050 30 40 GKEB Cn1c(-c2ccccc2)c(/C=N/N=C2\C[C@H]3CC[C@@]2(C)C3(C)C)c2ccccc21 103390016 HCFNYCOKEIMIKN-WJQPKPTDSA-N 383.539 6.466 30 40 GKEB O=C(/N=C1\c2ccccc2CN1c1ccc(SC(F)F)cc1)c1ccco1 105216232 ISMUQHIZBZDWLA-PTGBLXJZSA-N 384.407 5.202 30 40 GKEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1cccc(F)c1)C2=O 118916336 JPKPGSNREZFIQX-VVENWQDZSA-N 394.530 5.712 30 40 GKEB C=C1C=C2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@@H]4[C@H](C)CCCC(C)C)[C@@]2(C)CC1 118931019 DRCYUNZSUMDTCY-OKPKYCIKSA-N 382.676 8.584 30 40 GKEB N#Cc1cc(N)c(Oc2ccc(Cl)cc2)n1Cc1ccc(Cl)cc1Cl 225882476 IWKZXBCRRKYELK-UHFFFAOYSA-N 392.673 5.743 30 40 GKEB Cc1ccc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)cc1 408863371 NPVNFTFDZGMBAT-YVADOFBFSA-N 394.515 6.071 30 40 GKEB CCCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)S/C1=N\c1ccc(C)cc1 408908445 DYRNODIWLWGWEW-QNQNADBQSA-N 396.512 5.026 30 40 GKEB CCCn1c(C)c(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2cc(C)ccc21 409040086 SHDYCVHXMANDJS-MWYAZZEHSA-N 397.338 5.382 30 40 GKEB CC[C@@H](C)Oc1ccccc1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O 409403941 NVSZAPITJJKWGW-GOSISDBHSA-N 397.478 5.123 30 40 GKEB c1ccc(NN=C(N=Nc2ccc(-c3ccccc3)cc2)c2ccccc2)cc1 604940570 LKFXJYZDDITMNN-UHFFFAOYSA-N 376.463 6.911 30 40 GKEB C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCCC3 2066423 PPDMIIRSWCWLHN-UHFFFAOYSA-N 396.581 5.693 30 40 GKEB Cc1cc(C)c2oc(-c3ccc(/N=C/C=C/c4cccc([N+](=O)[O-])c4)cc3)nc2c1 3032326 UOORIERYTCDGET-MLZQUUFASA-N 397.434 6.436 30 40 GKEB COc1ccc([C@@H]2N(c3ccccc3)OC(=O)N2c2cccc3ccccc23)cc1 5064968 KPQJPNXBYWVTTC-DEOSSOPVSA-N 396.446 5.925 30 40 GKEB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2c(c1)-c1ccccc1C2 6048021 GTBRQVSBCCMQBT-UXBLZVDNSA-N 375.811 5.716 30 40 GKEB COC(=O)c1ccccc1-c1ccc(/C=N/c2sc3c(c2C#N)CCCC3)o1 6579695 UDSFFZYTOOXNRE-ZMOGYAJESA-N 390.464 5.296 30 40 GKEB Cc1ccc(C)c(/N=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)c1 8367880 GUDKFRJVIYAUTP-DHRITJCHSA-N 384.306 6.940 30 40 GKEB Cc1ccc(NC(=O)COc2ccc(/C=N/c3ccccc3C)cc2)cc1Cl 8570899 CZNLJBBYJABFSW-AFUMVMLFSA-N 392.886 5.725 30 40 GKEB C/C(=N\Nc1c(Cl)cc(Cl)cc1Cl)c1ccc(Cl)cc1Cl 12362610 XUOIIRCUNOAKSC-IFRROFPPSA-N 382.505 6.790 30 40 GKEB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC/C2=N\N=C\c1ccc(F)cc1 20572617 XZWUGWAIVKGTRA-VJGSLMQASA-N 390.502 5.863 30 40 GKEB CC(C)CC(=O)C1=C(N)[C@H]2C(c3ccccc3)=CC(c3ccccc3)=N[C@H]2S1 95117475 OTSZEYQCHPHPKW-QPPBQGQZSA-N 388.536 5.048 30 40 GKEB CCCCCCCCOC(=O)CSc1nc2c(cc1C#N)CCCCCC2 97949567 MKXMMVUJBCDLKY-UHFFFAOYSA-N 388.577 5.608 30 40 GKEB CCCCCC/C=C/CCCCCCCCCc1cc(O)cc(OC)c1O 104272336 BDWQNYPENCTULP-CMDGGOBGSA-N 376.581 7.296 30 40 GKEB CCOc1ccc(/C=N/c2cc(Cl)ccc2C)cc1I 408904756 OEPSCLCAOMVQQN-VXLYETTFSA-N 399.659 5.402 30 40 GKEB O=C1C(=Cc2ccc(Sc3ccc(Cl)cc3)cc2)C(=O)c2ccccc21 409063904 ARVKQAOOUUPKQZ-UHFFFAOYSA-N 376.864 5.954 30 40 GKEB COC(=O)c1ccc(-c2ccc(/C=N\c3sc4c(c3C#N)CCCC4)o2)cc1 409065165 DPTBPELFKJCMOV-CFRMEGHHSA-N 390.464 5.296 30 40 GKEB Cc1ccc(/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1C 3193035 PNZIZBVDRAOOCB-YDZHTSKRSA-N 381.317 6.224 30 40 GKEB Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)/C=C/c1ccccn1 4059274 SMOOWOZTJXRDEB-ACCUITESSA-N 384.866 6.155 30 40 GKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(Cc1ccccc1)[C@H]2c1ccco1 6782450 JWYFYGIIKUYQNK-VWLOTQADSA-N 398.506 6.096 30 40 GKEB N#Cc1ccc(CSc2nc(-c3ccccc3)cc(C(F)(F)F)c2C#N)cc1 9344685 AWDFEKHZUDAGKK-UHFFFAOYSA-N 395.409 5.803 30 40 GKEB CC1=CC(C)(C)N2C(=O)/C(=N/c3ccc(Cl)c(Cl)c3)c3cc(C)cc1c32 12406260 IJMKLXXVVBCWKF-HKOYGPOVSA-N 385.294 5.965 30 40 GKEB CCSC1=C(C(=O)c2ccccc2)C(=O)C[C@H](c2ccc3c(c2)OCO3)S1 26896826 RGBNKSGPGFGAPV-GOSISDBHSA-N 398.505 5.010 30 40 GKEB CCOc1ccc(/C=N\Nc2c3ccccc3nc3ccccc23)cc1OCC 31672191 HJPFKPOITDKMLE-XYGWBWBKSA-N 385.467 5.631 30 40 GKEB CCCCCCCCn1c([C@H]2CC(=O)N(c3ccccc3)C2)nc2ccccc21 50861222 NINDOMGTBBCNAR-FQEVSTJZSA-N 389.543 5.917 30 40 GKEB CCOc1ccc(/N=C2/S/C(=C\c3ccccc3OCC)C(=O)N2CC)cc1 97464894 FZHAASNDGHSIOZ-PKEPYMRNSA-N 396.512 5.108 30 40 GKEB C=CCN1C(=O)S/C(=C\c2cc3c(cc2Cl)N(C)C(C)(C)C[C@@H]3C)C1=O 208256813 AEMKNKUKQZEZAS-CHROMADKSA-N 390.936 5.284 30 40 GKEB CC[C@H](C)Oc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)c(C#N)c1 225759192 XQALXVLHLLWJRE-IBGZPJMESA-N 390.527 5.885 30 40 GKEB C=CCN1C(=O)S/C(=C\c2cc(C)n(-c3c(C)cccc3CC)c2C)C1=O 408961350 RVQAJHOFUSKZGS-UYRXBGFRSA-N 380.513 5.187 30 40 GKEB CCOc1c(Cl)cc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1Cl 409076030 WSODMKXWUUMFAJ-QPJQQBGISA-N 378.181 5.252 30 40 GKEB Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc(-c2nc3ccccc3[nH]2)cc1 1230493 XTFRGNYKFVYDDB-FOKLQQMPSA-N 382.250 5.993 30 40 GKEB CCCSc1nc(-c2ccccc2)c(C#N)c(-c2ccccc2Cl)c1C#N 2235426 MSFNBMKQEANSDC-UHFFFAOYSA-N 389.911 6.314 30 40 GKEB COc1ccc(/C=N/c2cccc(-c3nc4c(C)cccc4o3)c2)cc1Cl 3115287 YFZGXQSYFHASES-ZMOGYAJESA-N 376.843 6.216 30 40 GKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3ccccc3O)cc1)N2 5337708 QNKUYWSGQXXETI-NWVZELPRSA-N 380.491 6.278 30 40 GKEB COc1c(Br)cc(Br)cc1/C=N/c1ccccc1C 5420472 NQEKUTAYSPJNPG-GIJQJNRQSA-N 383.083 5.279 30 40 GKEB COc1cc(Cl)cc(/C=N\c2ccc(-c3nc4ccccc4o3)c(O)c2)c1O 5512356 RSLPBALGAMDKDY-KSEXSDGBSA-N 394.814 5.319 30 40 GKEB CCCCOc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)NC2=O)cc1 5597116 QWNJGVJGVLNNBP-AQTBWJFISA-N 386.904 5.411 30 40 GKEB CCOc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(Cl)c1OC 6959171 TXFKKSFCKVBHEB-BUVRLJJBSA-N 381.859 6.290 30 40 GKEB COc1ccc(C(=O)/C=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1 7939528 OGEPVBOHYOSMID-XNTDXEJSSA-N 389.407 5.079 30 40 GKEB O=[N+]([O-])c1cc(/C=N/c2ccc3nc(-c4ccccc4)oc3c2)ccc1Cl 80340364 SGBNLQIFPHIOMF-WSDLNYQXSA-N 377.787 5.807 30 40 GKEB Cc1ccc2oc(-c3ccc(C)c(/N=C\C=C\c4ccc([N+](=O)[O-])cc4)c3)nc2c1 95483043 IRDMRIZMAZUTHO-LLTZTFEKSA-N 397.434 6.436 30 40 GKEB CC/N=C1\S/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N1CC 101706254 FDGMHVXFEWDBLE-GZNJHTOZSA-N 392.933 5.396 30 40 GKEB CCCOc1ccc2ccccc2c1-c1c(-c2ccccc2)c(C)[nH]c(=N)c1C#N 408981304 VQJKMQYAPSAQHQ-UHFFFAOYSA-N 393.490 5.950 30 40 GKEB COc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c(OC)c1 409079177 KXLVQQBUDUPODC-MMTYYTLLSA-N 382.529 5.539 30 40 GKEB COc1cc(N2CCCC2)c(OC)cc1/C=N\c1ccc(Cl)c(Cl)c1 409103809 WVZAPXRWZUKYBS-UUYOSTAYSA-N 379.287 5.361 30 40 GKEB C=CCN1C(=O)/C(=C/c2ccc(Sc3ccc(C)cc3)cc2)SC1=S 409237804 JQFRDGJSHHJUCX-AQTBWJFISA-N 383.563 5.533 30 40 GKEB C=CCSc1nc2c(c(=O)n1CCC)C1(CCCCC1)Cc1ccccc1-2 2341792 PVTLUEYBNUQPRC-UHFFFAOYSA-N 380.557 5.356 30 40 GKEB CC[C@H](C)c1ccc(-c2c(C)sc(NC(=O)CCCC(=O)O)c2C#N)cc1 2773550 QBXUTMWHAGSKCE-ZDUSSCGKSA-N 384.501 5.302 30 40 GKEB C(=N/c1ccc(-c2ccccc2)cc1)\c1ccc(Sc2nc3ccccc3[nH]2)o1 3087891 VJVKPMMVTMYXPU-PCLIKHOPSA-N 395.487 6.725 30 40 GKEB CO/N=C/[C@H]1C(=O)c2c(Oc3ccc(Cl)cc3)cccc2[C@@H]1c1ccccc1 4002257 VPXADWRRRLWUQS-NAYQLLKUSA-N 391.854 5.709 30 40 GKEB N#CCOc1ccc([C@@H]2Nc3c(F)cc(Br)cc3[C@H]3C=CC[C@@H]32)cc1 4690322 YUZWDWMLNKUICX-BXWFABGCSA-N 399.263 5.317 30 40 GKEB Clc1ccc(CO/N=C/c2cccnc2Sc2ccccc2)cc1Cl 5485930 KKCPXJKGKSKADQ-FSJBWODESA-N 389.307 6.090 30 40 GKEB C=CC[n+]1c(/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc2ccccc21 6761234 JKOSKDMJKSDDTR-BUHFOSPRSA-N 383.427 5.652 30 40 GKEB CCC(=N/N=c1/[nH]c2ccccc2s1)/N=N/c1ccccc1Br 22611989 VJOFXDMNVYFBNK-RBVGFUCJSA-N 388.294 5.400 30 40 GKEB CCn1cc(/C=C2\Oc3cc(OCc4ccccc4)ccc3C2=O)c2ccccc21 28182530 CEFHGGGEVGQTHI-QFEZKATASA-N 395.458 5.856 30 40 GKEB COC(=O)c1ccc(C)c(/N=C/c2cccn2-c2ccc(Br)cc2)c1 59678245 OPWLBAAIQBDCQS-LPYMAVHISA-N 397.272 5.085 30 40 GKEB CCCCCCCCCCCCCCCCCC(=O)N1CC[N+](C)(C)CC1 72104725 MEFIIQUYOMRZQK-UHFFFAOYSA-N 381.669 6.167 30 40 GKEB CC[C@]1(C)Oc2ccccc2[C@@H]2O[C@](C)(C#CC[N+]3(C)CCCCC3)CC[C@H]21 106588389 RMPGUSXNDYXSIL-WUEDSLEZSA-N 382.568 5.108 30 40 GKEB biogenic O=C(NCc1ccccc1)c1c(/N=C/c2ccsc2)sc2c1CCCC2 109397754 NNIKIESXTXOOJP-YDZHTSKRSA-N 380.538 5.369 30 40 GKEB C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 224929255 XIIDDSZHEUFTRP-UHFFFAOYSA-N 376.692 5.028 30 40 GKEB Cc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1Cl 408629178 OCOKWLZDFXQJOD-CQSZACIVSA-N 386.948 5.985 30 40 GKEB O=C1/C(=C/c2cccc(Cl)c2)S/C(=N\c2ccccc2)N1C1CCCCC1 408727613 UTEXGHUVEYLQER-WELATPIXSA-N 396.943 6.277 30 40 GKEB CCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1 4608392 OIRWWQGCTMWMLA-QFIPXVFZSA-N 380.875 5.257 30 40 GKEB O=C1ON(c2ccccc2)[C@H](c2cccc(Br)c2)N1c1ccccc1 4694905 GBRGAIAOKHSEGI-LJQANCHMSA-N 395.256 5.526 30 40 GKEB CC(C)Oc1ccc(C(=O)/C=C/Nc2ccc(Br)cc2F)cc1 6049758 VFJZMDDULADGLG-MDZDMXLPSA-N 378.241 5.184 30 40 GKEB O=C1C=C(Nc2ccc(Br)cc2Cl)C[C@H](c2ccccc2)C1 6618363 JNFBAZMJOHFQGG-ZDUSSCGKSA-N 376.681 5.545 30 40 GKEB CCCC(C)(C)[C@H]1CC/C(=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](C)C1 6669914 ZFJMCICFPLOLLQ-YCVOCTCCSA-N 376.457 5.533 30 40 GKEB Cc1ccc(/N=C/c2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2)cc1 8371812 VDFKFOFEYAVKBL-AFUMVMLFSA-N 392.886 5.725 30 40 GKEB CCCCC1CCC(c2nc(C#N)c(N3CCN(c4ccccc4)CC3)o2)CC1 61997329 OFDSCNXZPRAFRO-UHFFFAOYSA-N 392.547 5.337 30 40 GKEB CCCCCCCCCCCCCCCCCC(=O)NCCCn1ccnc1 100285418 QKKISHLEHVXNQN-UHFFFAOYSA-N 391.644 6.651 30 40 GKEB Oc1ccc(Cl)cc1/N=C/c1ccc(-c2ccc(Br)cc2)o1 100498648 UMUZCHDFHJAXPS-KEBDBYFISA-N 376.637 5.819 30 40 GKEB CC[C@H]1CS/C(=N\CCc2ccccc2)N1Cc1ccc(Cl)cc1Cl 102887171 MPPHOPHCOWGVEB-FGLUDEAJSA-N 393.383 5.920 30 40 GKEB CC/N=C1/S/C(=C/c2cc(C)n(-c3cccc(C)c3C)c2C)C(=O)N1CC 408929553 KVTJPQZDQVZDLH-SAPPFYIZSA-N 381.545 5.023 30 40 GKEB O=C(Oc1ccc(/C=C2\Sc3ccccc3C2=O)cc1)c1ccc(Cl)cc1 3211789 XNFLSUDBFXXQJQ-MOSHPQCFSA-N 392.863 5.889 30 40 GKEB COc1ccc(/C=N/CC[C@]2(c3ccc(OC)cc3)CCOC(C)(C)C2)cc1 4028036 PWVDAIZGNIJFFP-IOCYEQIYSA-N 381.516 5.040 30 40 GKEB biogenic O=C(Nc1cccc(/N=C/c2cc(Cl)ccc2O)c1)c1cccc(Cl)c1 4676093 VRPLBICEISQSRN-FSJBWODESA-N 385.250 5.702 30 40 GKEB CCc1cc2c(cc1/C(C)=N/N=C/c1ccccc1O)C(C)(C)CCC2(C)C 4812075 DUKCEEGISMTPBY-CTVDDJEBSA-N 376.544 6.147 30 40 GKEB COc1ccc([C@H]2C3=C(CCCC3=O)Nc3c2c(C)nn3-c2ccc(C)cc2)cc1 4948711 MTYLEEUGBASGCQ-HSZRJFAPSA-N 399.494 5.062 30 40 GKEB Cc1c(Cc2ccccc2Cl)c(NC(C)C)n2c(nc3ccccc32)c1C#N 5454148 RZRZEHPZMMDCMG-UHFFFAOYSA-N 388.902 5.732 30 40 GKEB CC(C)Cc1ccc(-c2csc(/C(C#N)=N\Nc3cccc(Cl)c3)n2)cc1 6306942 NORCAHKTUPRPEN-XHPQRKPJSA-N 394.931 6.002 30 40 GKEB C=CCOc1ccc(C(=O)N(Cc2ccc(Cl)cc2)Cc2ccco2)cc1 6810582 BUOPRODQYFDUPF-UHFFFAOYSA-N 381.859 5.340 30 40 GKEB Cc1cccc(CN2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)c1 15826373 IZRNYTAMOWTTNQ-RUZDIDTESA-N 384.479 5.769 30 40 GKEB Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)C[C@H]1C[C@H]2CC[C@@H]1C2 69372828 DSYKZZSJNICPPN-IOMROCGXSA-N 376.475 5.365 30 40 GKEB COc1ccccc1/C=C1/S/C(=N\c2ccccc2)N(Cc2ccco2)C1=O 100328114 GEFSVXPHXKDDHC-QNQNADBQSA-N 390.464 5.092 30 40 GKEB O=C(/N=C1\c2ccccc2CN1c1ccc(F)c(F)c1)c1ccc(Cl)cc1 102494065 JBBYPCGFVFOCPI-LKUDQCMESA-N 382.797 5.225 30 40 GKEB CCCOc1ccc(/C=C2/S/C(=N\c3ccccc3CC)N(C)C2=O)cc1 408907210 ADDGNLDQWXKOAJ-OCIPIQTLSA-N 380.513 5.272 30 40 GKEB Cc1ccc(Cl)cc1/N=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1 409203157 UUKCUDNRABIRRK-HYARGMPZSA-N 385.872 5.167 30 40 GKEB CC1(C)CC(=O)C2=C(C1)Nc1c(ccc3ccccc13)[C@H]2c1ccc([N+](=O)[O-])cc1 687144 JLZCVOCDMKGQBT-JOCHJYFZSA-N 398.462 5.949 30 40 GKEB C=CCn1c(SCc2cccc3ccccc23)nnc1-c1ccc(F)cc1 2204005 BYQWZZADNZRBSY-UHFFFAOYSA-N 375.472 5.716 30 40 GKEB Cc1ccc2oc(-c3cc(/N=C/c4ccc(Cl)cc4)ccc3Cl)nc2c1 3092347 KPLSBWWEHDPHIZ-WYMPLXKRSA-N 381.262 6.861 30 40 GKEB CC[C@@H](C)c1ccc(NC(=O)CON=C2c3ccccc3-c3ccccc32)cc1 3311405 GUMSICHFTPGDCB-QGZVFWFLSA-N 384.479 5.588 30 40 GKEB C/C(=C\c1ccccc1)[C@H]1Nc2ccc3ccccc3c2C2=C1C(=O)CC(C)(C)C2 4475012 QRYIBCSUDTYKPZ-YIJROUQKSA-N 393.530 6.880 30 40 GKEB CCc1ccc(/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1 8084964 RXLYEQSGDGHHML-BUVRLJJBSA-N 394.312 6.341 30 40 GKEB C=CCc1cc(CN2CCC[C@H]2c2cc3cccnc3[nH]2)cc(OC)c1OCC 12222179 ICZHPSUUJZTUBH-NRFANRHFSA-N 391.515 5.036 30 40 GKEB Cc1ccc(N/N=C(\c2ccccc2)c2c(C)nn(-c3ccccc3)c2O)cc1 18191898 PKSGRUQVPYFMHU-WNAAXNPUSA-N 382.467 5.059 30 40 GKEB CCC(C)(C)[C@H]1CCc2sc3ncnc(N/N=C\c4ccc(O)cc4)c3c2C1 36476351 JYOOGSJNUSSGLU-JNXALSOLSA-N 394.544 5.384 30 40 GKEB Cc1ccc(C(=O)/C=C/c2cccc(OCc3cccc4ccccc34)c2)cc1 408692570 PMMZISATIMVPHR-SAPNQHFASA-N 378.471 6.623 30 40 GKEB Clc1ccc(/N=C\c2cc(Br)c(N3CCCC3)o2)c(Cl)c1 408845586 HVFWLSFJLZVAHO-OCKHKDLRSA-N 388.092 5.700 30 40 GKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(OC(C)C)cc3)C(=O)N2C(C)C)cc1 408912160 LIMJSQNVYGKIHQ-NFEGURHZSA-N 394.540 5.795 30 40 GKEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)nc1 4048018 ONLDZOIMRUZXIG-AFUMVMLFSA-N 398.422 5.168 30 40 GKEB O=C(c1cccc2c1-c1ccccc1/C2=N\Nc1ccccc1)N1CCCCC1 4545601 NFKHXKBYDKYDPB-SOYKGTTHSA-N 381.479 5.158 30 40 GKEB N#CC(=N/Nc1cccc(C(F)(F)F)c1)/N=N/c1cccc(C(F)(F)F)c1 5568853 SSTQUVJQDCHKEX-YNWJTUIPSA-N 385.271 5.757 30 40 GKEB COc1ccc(-c2oc(/N=C/c3ccc[nH]3)c(C#N)c2-c2ccc(OC)cc2)cc1 6582221 DEWAJMRTHQJPQL-JFLMPSFJSA-N 397.434 5.581 30 40 GKEB CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Cl)cc1 9015464 RXPURMIEELWNNR-IBGZPJMESA-N 383.875 5.027 30 40 GKEB CCc1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 15018354 JJRGSYUQNGTVHX-ISSOZRQYSA-N 384.504 6.058 30 40 GKEB C=CCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCCC)n2)cc1 16729072 STLOWGUOQCBDEZ-UHFFFAOYSA-N 378.419 5.706 30 40 GKEB Cc1nn(-c2ccccc2)c2c1[C@H](C)C1=C(C[C@@H](c3cccs3)CC1=O)N2 18197818 MMUZTYCZLMLMFX-DZGCQCFKSA-N 375.497 5.172 30 40 GKEB O=[N+]([O-])c1cc(Br)c(O)c(/C=N\c2cccc(Cl)c2Cl)c1 33246536 UYCFDGROVLZDKH-FMQZQXMHSA-N 390.020 5.120 30 40 GKEB CCCCCCCCCC[N+](C)(C)CCOCCOC(=O)Nc1ccccc1 59042383 XUDFPXSKDSWRBS-UHFFFAOYSA-O 393.592 5.469 30 40 GKEB O=C(/C=C/c1ccccc1)c1ccc(N(c2ccccc2)c2ccccc2)cc1 146424536 XSBALRYSTVHHLU-LTGZKZEYSA-N 375.471 7.053 30 40 GKEB CCn1c(N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)nc2ccccc21 408692768 UUMLMNKOUQDUQZ-ZVHZXABRSA-N 391.906 5.563 30 40 GKEB CCOc1cc2c(cc1/C=N\c1ccc(Oc3ccccc3OC)cc1)OCO2 409097681 NUNPLCYMXSRLBJ-OYKKKHCWSA-N 391.423 5.366 30 40 GKEB CCOc1ccc(-n2c(C)cc(/C=N\c3ccc(C)c([N+](=O)[O-])c3)c2C)cc1 409188471 ZNMWLBGPWHKEEA-UCQKPKSFSA-N 377.444 5.460 30 40 GKEB COc1cccc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)c1OC 409377016 FCPQPQMIGGKHQO-ZMOGYAJESA-N 388.379 5.439 30 40 GKEB CCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1 4608393 OIRWWQGCTMWMLA-JOCHJYFZSA-N 380.875 5.257 30 40 GKEB CCn1cc([C@H](c2ccccc2)[C@H](C(=O)c2ccccc2)[N+](=O)[O-])c2ccccc21 4812427 WKAMWHBBSVNVKS-BJKOFHAPSA-N 398.462 5.321 30 40 GKEB Fc1ccccc1/C=N/Nc1nc(-c2ccccc2Cl)nc2ccccc12 4828606 ODMWNRZFKSSIHJ-ZMOGYAJESA-N 376.822 5.535 30 40 GKEB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(Cl)cc1)C1=C(CCCC1=O)N2 5577012 LUVBVUOHDSOPOO-OAQYLSRUSA-N 389.886 5.399 30 40 GKEB C=CCn1c(S[C@@H](C#N)Cc2ccccc2)nnc1-c1ccc(Cl)cc1 6905132 UFYBWHXTSZOCEG-GOSISDBHSA-N 380.904 5.011 30 40 GKEB CCOc1cc(/C=N/c2ccc(C)cc2C)ccc1OCc1cccc(Cl)c1 6961417 UALDEOABWSMQKE-CVKSISIWSA-N 393.914 6.685 30 40 GKEB Cc1ccc(COc2c(Cl)cc(/C=N/c3ccc(C)cc3C)cc2Cl)cc1 8372971 JRDXHJLWPQSUCM-LGJNPRDNSA-N 398.333 7.248 30 40 GKEB CCCCCCCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1 8386528 BDQMWWHMBRWIMI-NKFKGCMQSA-N 376.500 5.842 30 40 GKEB N#Cc1c(O)nc(SCc2cccc(C(F)(F)F)c2)nc1-c1ccccc1 15987527 VLQLCRVTTSCBBQ-UHFFFAOYSA-N 387.386 5.032 30 40 GKEB C=CCn1c(-c2ccc3ccccc3c2)cs/c1=N\c1ccc(OCC)cc1 16711407 LFPSFXPOOINERJ-IZHYLOQSSA-N 386.520 6.187 30 40 GKEB O=[N+]([O-])c1cc(/C=N\Nc2ccccc2)ccc1Sc1ccc(Cl)cc1 32116845 NXCJZZORIOSCIL-BKUYFWCQSA-N 383.860 5.845 30 40 GKEB CC(C)(C)c1cc(/N=C/c2cc3ccccc3[nH]c2=S)c(O)c(C(C)(C)C)c1 100802860 INDJULBHRRJPIU-AFUMVMLFSA-N 392.568 6.949 30 40 GKEB CCCCCCCCNC(=O)c1ccc(NC(=O)C(C)(C)CC(C)(C)C)cc1 103010741 DAKFDBYZCBZIGI-UHFFFAOYSA-N 388.596 6.178 30 40 GKEB C[C@@H]1CCC[C@@](C)(c2ccccc2)/C1=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 104072550 FSNWJVKOOXZFPU-FKQLHSDPSA-N 382.420 5.049 30 40 GKEB CCCCCOc1ccc(/C=N\Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 169948144 CQBIEUQQORMORR-UCQKPKSFSA-N 399.947 6.479 30 40 GKEB CC(C)COc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)c(C#N)c1 225751457 SHUPHYKKXDNQIF-UHFFFAOYSA-N 396.918 5.697 30 40 GKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 252694660 NYOXRYYXRWJDKP-VRLGZSBUSA-N 384.648 7.597 30 40 GKEB biogenic CC1(C)CCC(C)(C)c2cc(/C(=N\O)c3cc4cc(C(=O)O)ccc4[nH]3)ccc21 253387856 CTYNDNYSDMIEPV-YYADALCUSA-N 390.483 5.442 30 40 GKEB Cc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@H]43)cc2)cc1 253568025 KTKRNQZINZVBHA-QEZKPBDHSA-N 378.519 6.881 30 40 GKEB Cc1c(/C=C2\SC(=Nc3cccc4ccccc34)NC2=O)c2ccccc2n1C 408817699 MABUZBXVYYCUGK-HMAPJEAMSA-N 397.503 5.532 30 40 GKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccccc3OC(F)F)c2C#N)C1 409172372 CZWVSSKVUDKPAP-DSKMXOTJSA-N 388.483 6.123 30 40 GKEB CSc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3cc4c(cc32)OCO4)cc1 816099 UIPZUAMMNLVYON-OAQYLSRUSA-N 393.508 5.338 30 40 GKEB N#Cc1cn(CCOc2ccc(Cl)cc2)c2ccc(Br)cc12 1015552 BKZKRQNKIINZFM-UHFFFAOYSA-N 375.653 5.008 30 40 GKEB C#CCOc1c(Cl)cc(CNc2ccc(Oc3ccccc3)cc2)cc1OC 4677750 RKAQKVCHCABKCS-UHFFFAOYSA-N 393.870 5.765 30 40 GKEB Cc1oc2ccc(O)cc2c1C(=O)/C=C/c1ccc(-c2ccccc2Cl)o1 5546268 CHDHQRQKYWGUAV-VQHVLOKHSA-N 378.811 6.256 30 40 GKEB O=C(/C=C\Nc1ccccc1C(=O)c1ccccc1)c1ccc2ccccc2c1 5616722 SDJSDWKEZLFCBM-MSUUIHNZSA-N 377.443 5.879 30 40 GKEB Cn1c(-c2ccccc2)c(/C=N/Nc2ccccc2C(F)(F)F)c2ccccc21 5692479 YPNUNJIEEBXSRK-JFLMPSFJSA-N 393.412 6.310 30 40 GKEB CCCCOc1ccc(Cl)cc1/C=N/c1c(C)n(C)n(-c2ccccc2)c1=O 5792925 VYKHJAJQVWKIMM-BUVRLJJBSA-N 397.906 5.067 30 40 GKEB COc1cc(/C=N/c2ccccc2C)cc(Cl)c1OCc1ccc(C)cc1 8372991 YCKFUCKFAIVRJP-AFUMVMLFSA-N 379.887 6.295 30 40 GKEB O=C(Oc1ccccc1/C=C/C(=O)c1cc2ccccc2o1)c1cccc(F)c1 13987646 BQRQCGRSMWJIPH-OUKQBFOZSA-N 386.378 5.687 30 40 GKEB O=C1/C(=N\N=C(c2ccccc2)c2ccccc2)c2ccccc2-c2ccccc21 16951707 AEKFBNIVRZUCFQ-WCTVFOPTSA-N 386.454 5.792 30 40 GKEB N#C/C(=N/Nc1ccc(Cl)cc1Cl)c1nc(-c2ccc(F)cc2)cs1 17156734 IKDZPZGKYGQABF-IWIPYMOSSA-N 391.258 5.596 30 40 GKEB N#Cc1c(Cl)nsc1N1CCC(c2nc3cc(Cl)ccc3s2)CC1 70040637 WEHAOLAEKVMWEY-UHFFFAOYSA-N 395.340 5.315 30 40 GKEB CCCCCCCCOc1cc2nsnc2cc1OCCCCCCCC 97971788 GNYCNFWCQGDJRG-UHFFFAOYSA-N 392.609 7.170 30 40 GKEB in-vitro O/N=C1/CCCCCCCCCC[C@@H]1N1CCN(c2ccccc2F)CC1 100964709 VWJRSVMGHLTASD-ATHPHSJWSA-N 375.532 5.061 30 40 GKEB CCCCCCCCCOc1ccc(/C=C2\SC(=S)N(C)C2=O)cc1 101538334 DKKOGAOESDVVDH-SDXDJHTJSA-N 377.575 5.647 30 40 GKEB CCCCCCCCNCc1ccccc1OCc1ccc(Cl)cc1Cl 102562108 XLAHPBWSYBKCIR-UHFFFAOYSA-N 394.386 7.023 30 40 GKEB CCCCCCCCCCCCNC(=S)N/N=C\c1ccccc1OCC 104373356 MRNRWCUZSUEKLV-CLCOLTQESA-N 391.625 5.804 30 40 GKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4[C@H]5O[C@@H]5CC[C@]4(C)[C@H]3CC[C@@]21C 119163283 FVUXRLSHCHFWTB-XHJWVSIOSA-N 386.664 7.485 30 40 GKEB Cc1ccc(Cl)cc1/N=C/c1ccccc1OCc1ccc(C(=O)O)cc1 140707293 MKKLGGCLVIAPEI-ZMOGYAJESA-N 379.843 5.676 30 40 GKEB O=C1/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)Sc2ccccc21 842999 MWUKFNSGWRPWGJ-ZDLGFXPLSA-N 383.812 5.838 30 40 GKEB CC[C@@H](C)c1ccc(-c2c(C)sc(NC(=O)CCCC(=O)O)c2C#N)cc1 2773549 QBXUTMWHAGSKCE-CYBMUJFWSA-N 384.501 5.302 30 40 GKEB Cc1c(/C=N/c2cccc3ccccc23)c(O)n2c(nc3ccccc32)c1C#N 3026228 DUCDQVUXAVPIKH-VULFUBBASA-N 376.419 5.277 30 40 GKEB Cc1ccc(N/N=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 4414626 ZHGUJCUOGIFDCD-XQNSMLJCSA-N 397.301 5.221 30 40 GKEB COc1ccc(/C=N/CC[C@H](c2ccc(F)cc2)[C@H]2CCOC(C)(C)C2)cc1 4806721 CNGLEPKVVNXFJC-QKQINCMDSA-N 383.507 5.632 30 40 GKEB COc1cc(/C=N/Nc2ccc(Cl)cc2)ccc1OC(=O)c1cccs1 4919514 SFMHSRHBTCVCSJ-CIAFOILYSA-N 386.860 5.075 30 40 GKEB CCCCCCCC[C@@H]1C[C@@H]1C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1 8427295 TXARVQHFADSRPS-OFNKIYASSA-N 392.543 6.264 30 40 GKEB Clc1ccc(-c2sc(N/N=C/c3ccccc3)nc2-c2ccccc2)cc1 59475129 YPAYNUCQUBQLAK-BUVRLJJBSA-N 389.911 6.577 30 40 GKEB CN(C/C(O)=N/c1ccc(Cl)cc1C(F)(F)F)[C@H]1CCCc2ccccc21 82068215 XQHREBADPHVERH-SFHVURJKSA-N 396.840 5.956 30 40 GKEB CC[C@H]1CS/C(=N\c2cccc(OC)c2)N1Cc1ccc(Cl)cc1Cl 102887185 NTKJMGYXVPIHBW-VFOOBRQFSA-N 395.355 6.017 30 40 GKEB Cc1ccc(/N=C\c2cccn2-c2ccc(N(C)C)cc2)c(Br)c1 408955124 WLSBBKNCCQISCH-HMAPJEAMSA-N 382.305 5.365 30 40 GKEB CCOC(=O)c1cc(-c2ccc(/C=C3\Cc4ccccc4C3=O)o2)ccc1Cl 409368571 CJDVXGMDOZNPMZ-FOWTUZBSSA-N 392.838 5.599 30 40 GKEB Cc1ccc(S[C@H](C(=O)c2ccccc2)[C@H](c2ccccc2)C(C#N)C#N)cc1 1445613 UHLJGOQBZSPDSD-NOZRDPDXSA-N 396.515 5.786 30 40 GKEB CC(C)c1ccc(Nc2nnc(SCC(=O)c3ccc(C#N)cc3)s2)cc1 3296591 UFVXGTHUPLVDRE-UHFFFAOYSA-N 394.525 5.252 30 40 GKEB O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1cccs1)Nc1ccccc1N2 4086514 DWQCXGIDZWLKIY-ASSNKEHSSA-N 378.522 5.789 30 40 GKEB N#C/C(=N/Nc1cccc2ccccc12)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 4175463 ILTHKBZCQVIZCE-PLRJNAJWSA-N 399.435 5.211 30 40 GKEB CCc1ccc(/C=C/C(=O)c2cc3cc(Br)ccc3oc2=O)cc1 4598254 LYFGYZCVYSPKFL-VQHVLOKHSA-N 383.241 5.014 30 40 GKEB N#Cc1ccc(CSc2nnc(-c3sc4ccccc4c3Cl)o2)cc1 6091374 HMTQKGWNSSFDEH-UHFFFAOYSA-N 383.885 5.769 30 40 GKEB Cn1c(N/N=C/c2ccccc2OCc2ccccc2Cl)nc2ccccc21 7343309 MHRFKGQLAPENJQ-ZVHZXABRSA-N 390.874 5.252 30 40 GKEB COC(=O)CCCCCCCCC#CC#CCCCCCCCCC(=O)OC 12417611 XETBEGZTRLGUPD-UHFFFAOYSA-N 390.564 5.581 30 40 GKEB O=[N+]([O-])c1ccc(/C=N/[C@H]2CCCc3c2[nH]c2ccc(Br)cc32)cc1 18099956 FEDSOFNUAPJYJU-NIQDBXHUSA-N 398.260 5.335 30 40 GKEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1cccc(O)c1)Nc1ccccc1N2 18142513 MNNYYWDJMGQQHK-AVRWGWEMSA-N 382.463 5.372 30 40 GKEB CCN(CC)c1ccc(/N=C/c2cccn2-c2ccc(Br)cc2)cc1 59248960 SNYUPBDMWBFREI-XQNSMLJCSA-N 396.332 5.837 30 40 GKEB CC1(C)C=C([C@@H](c2cccc([N+](=O)[O-])c2)N2CCCCC2)C(=O)c2ccccc21 90646797 XECQFPXFFZRZDV-JOCHJYFZSA-N 390.483 5.222 30 40 GKEB CCCCCCCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1CC 408560997 TZOUHQXDLUHQCZ-UHFFFAOYSA-N 388.581 5.159 30 40 GKEB CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Br)c1OCC 408691688 LTANMXNGKWDLAO-DHZHZOJOSA-N 389.289 5.451 30 40 GKEB COc1cc(-c2nc3ccccn3c2/N=C/c2ccc(SC)cc2)ccc1O 408734912 HHNMPGBMWFPWFW-OEAKJJBVSA-N 389.480 5.188 30 40 GKEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(C)c(Cl)c3)c2C)cc1 408741694 KQAFPMBSPWMMGK-ZMOGYAJESA-N 380.875 5.593 30 40 GKEB COc1ccc2[nH]c(-c3ccccc3)c(C=C3C(=O)CC4(CCCC4)CC3=O)c2c1 408767957 RMCZOOPOQGWMEK-UHFFFAOYSA-N 399.490 5.719 30 40 GKEB C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccccc2O)S/C1=N\c1ccccc1 408866557 HECLBORAOHEZMI-RTOCDXOVSA-N 392.524 5.575 30 40 GKEB COc1ccc(/N=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cc1Cl 408964248 CLSAASXXBALULK-CVKSISIWSA-N 394.946 6.804 30 40 GKEB O=C1CCCC2=C1[C@@H](c1ccsc1)CC(=O)N2c1ccccc1C(F)(F)F 1080103 PCHTXMBZAUDTFN-CYBMUJFWSA-N 391.414 5.295 30 40 GKEB CCCCCCCCNC(=O)c1c(C)c(-c2ccc(C)cc2)nc2ccccc12 2086467 PGBXCPAGVXPXQC-UHFFFAOYSA-N 388.555 6.609 30 40 GKEB N#Cc1ccc(-c2ccc(Cl)cc2)nc1SCC(=O)c1cccc(Cl)c1 4116221 SEMHRPKXIAZCLH-UHFFFAOYSA-N 399.302 5.902 30 40 GKEB C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)Nc1nc3ccc(Br)cc3s1)C2 6239782 KHAPYQRKWJXYCT-VOJFVSQTSA-N 391.334 5.380 30 40 GKEB COc1cc(C#N)ccc1O[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 7470598 ACQWJAQYUWMNFU-XMMPIXPASA-N 382.419 5.051 30 40 GKEB CCOc1cc(/C=N/NCc2ccccc2Cl)cc(Cl)c1OC(C)C 8811937 KZWFUGOLROOTNN-SSDVNMTOSA-N 381.303 5.303 30 40 GKEB C[C@@H]1CN=C(N(/C(S)=N\c2ccccc2)c2cccc(C(F)(F)F)c2)S1 13686649 KNXUHOBQBZDZKL-GFCCVEGCSA-N 395.475 5.621 30 40 GKEB CC(C)C(=O)Nc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1 28731541 AIVBVTMHYSZBPJ-UHFFFAOYSA-N 383.451 5.072 30 40 GKEB N#Cc1c(/N=C/c2cn(Cc3ccccc3)c3ccccc23)sc2c1CCCC2 40570770 WWJSRLMPNJLJPJ-JFLMPSFJSA-N 395.531 6.252 30 40 GKEB N#Cc1c(Cl)nsc1NCc1cn(-c2ccccc2)nc1-c1ccccc1 65492077 SZKZANOYXTUSTL-UHFFFAOYSA-N 391.887 5.133 30 40 GKEB Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1/N=C/c1cc(Cl)ccc1O 100511267 HSSJBYZBZFVZRF-BHGWPJFGSA-N 397.261 6.566 30 40 GKEB CCCOc1ccc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc1Cl 408530648 JZKHPLGBYKVUTR-PDGQHHTCSA-N 386.904 5.329 30 40 GKEB CCCCCCCCCCCC(=O)Nc1cccc(C(=O)Nc2ccccc2)c1 408672903 PBOKGXZCSNBPNI-UHFFFAOYSA-N 394.559 6.798 30 40 GKEB Cc1ccc(/N=C\c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)c(C)c1 409380605 OHXVTJDOKXNNII-YSMPRRRNSA-N 386.495 5.688 30 40 GKEB N#Cc1c(C(F)(F)F)cc(-c2ccco2)nc1SCc1ccc(Cl)cc1 1471631 CAWAMAXBKKLAKX-UHFFFAOYSA-N 394.805 6.178 30 40 GKEB CCCCCCCCOc1ccc(-c2ccc(Br)cc2F)cc1 2049278 GNHQJBAQBHWKSP-UHFFFAOYSA-N 379.313 6.995 30 40 GKEB CC(C)(C)c1ccc(CSc2nc3c(c(-c4cccnc4)c2C#N)CCC3)cc1 2119210 BWIFUQXPZFDPMD-UHFFFAOYSA-N 399.563 6.094 30 40 GKEB O=C(OCC(F)(F)C(F)(F)C(F)(F)F)C(c1ccccc1)c1ccccc1 3029122 MMATXRQKBXKUDZ-UHFFFAOYSA-N 394.286 5.195 30 40 GKEB O=[N+]([O-])c1ccc(/C=N/c2ccc(/N=C/c3ccc([N+](=O)[O-])s3)cc2)s1 3161921 FNEUBHACFKZCRZ-BEQMOXJMSA-N 386.414 5.127 30 40 GKEB N#Cc1ccc(COC(=O)c2oc3ccccc3c2COc2ccccc2)cc1 5936178 HYFVTFNIQYEXEU-UHFFFAOYSA-N 383.403 5.240 30 40 GKEB N#C/N=C(/Cc1ccc(Cl)c(Cl)c1)Nc1nc2c(cc1C#N)CCCCC2 6828712 VJLCELJAUPLOIK-UHFFFAOYSA-N 398.297 5.063 30 40 GKEB C=CCN(C(=O)c1cccc(Br)c1)c1nc(-c2ccccc2)cs1 13137671 HHDZKQFUJCIQCN-UHFFFAOYSA-N 399.313 5.405 30 40 GKEB O=C1/C(=N/c2ccc(Cl)nc2)C[C@H](c2ccccc2)N1c1ccc(Cl)nc1 17146613 IEDHRGHUGCVFDC-GZPJKGAFSA-N 397.265 5.034 30 40 GKEB CCCCCCCCn1c([C@@H]2CC(=O)N(c3ccccc3)C2)nc2ccccc21 50861220 NINDOMGTBBCNAR-HXUWFJFHSA-N 389.543 5.917 30 40 GKEB CCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103525848 PEUFNQDFGAXIBO-UHFFFAOYSA-N 388.358 7.766 30 40 GKEB C=CCn1c(COc2c(C)cccc2C)nnc1SCc1ccc(C)cc1 107856399 PIUJLJBAUJWYLU-UHFFFAOYSA-N 379.529 5.261 30 40 GKEB CCCCCCCCOc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 408586575 OAFQDCULSUHLQE-UHFFFAOYSA-N 394.342 6.985 30 40 GKEB CCN(CC)c1ccc(/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 408738128 PBKLJTGFYMHHCR-PCLIKHOPSA-N 379.935 6.344 30 40 GKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(C(C)C)cc3)C(=O)N2CC(C)C)cc1 408916802 ZEXOQVNOLAXGLP-QMSJJHEMSA-N 392.568 6.378 30 40 GKEB C=C(C)[C@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@H]4[C@@]5(C)CCC(=O)C[C@H]5CC[C@@]43C)[C@@H]12 2038218751 JMNNBGGLFDJNBE-CQCRZYOISA-N 396.659 7.597 30 40 GKEB Clc1ccc(/C=N/c2ccc3oc(-c4ccc5ccccc5c4)nc3c2)cc1 3193465 JLDSLEVNRLHBIK-CVKSISIWSA-N 382.850 7.052 30 40 GKEB Cc1ccc(/N=C(\c2ccccc2)N(Cc2ccccc2)c2ccccc2)cc1 4530012 ZHGGCXUNKBORLK-BYYHNAKLSA-N 376.503 6.780 30 40 GKEB Cc1ccc(/C=C2\Oc3cc(OCC(=O)c4ccc(Cl)cc4)ccc3C2=O)o1 13786987 DFKXTRHTLFPZIM-NHDPSOOVSA-N 394.810 5.119 30 40 GKEB COc1cccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)c2ccccc23)c1 18144857 KXBFDSVFWJRDIN-HXUWFJFHSA-N 385.463 5.473 30 40 GKEB Cc1cc(/N=C/c2ccc(Cl)cc2)ccc1NC(=O)c1cc2ccccc2o1 102417613 UDOFJUXQTANGKF-AFUMVMLFSA-N 388.854 6.398 30 40 GKEB CCC(C)(C)[C@@H]1CCC(=O)/C(=C/Nc2ccc(Oc3cccc(OC)c3)cc2)C1 408563383 LKHCUTGLYDCDJP-ZELAZJAISA-N 393.527 6.589 30 40 GKEB Cc1cc(N=C2NC(=O)/C(=C/c3ccsc3)S2)cc(C)c1Br 408761754 BHRVCTYTMDXUAT-QPEQYQDCSA-N 393.331 5.019 30 40 GKEB Cc1ccc(-n2nc(C)c(/C=N\Nc3ccc(Br)cc3)c2C)cc1C 408994515 ZNWYEHSCYKKQSD-UUYOSTAYSA-N 397.320 5.314 30 40 GKEB N#Cc1c(NC(=O)CSc2cccc3ccccc23)sc2c1CCCC2 409177477 BERSAHSQRHDFJS-UHFFFAOYSA-N 378.522 5.383 30 40 GKEB C=CCOc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c1 409343561 HIBMENGIOUGPSR-ATVHPVEESA-N 387.913 5.311 30 40 GKEB Cc1ccc(NC(=O)COc2cccc(/C=N/c3ccc(F)cc3)c2)cc1C 409386943 OVNZSIZCBZKMBJ-AFUMVMLFSA-N 376.431 5.211 30 40 GKEB N#Cc1c(/N=C/c2c[nH]c3ccccc23)oc(-c2ccccc2)c1-c1ccccc1 1054935 JSYVLUHZOPVFCV-STBIYBPSSA-N 387.442 6.717 30 40 GKEB O=[N+]([O-])c1cccc(/C=C/C=N/c2ccc3oc(-c4ccc(F)cc4)nc3c2)c1 3025655 BVBICHFAMLJHRJ-AMKUCRCLSA-N 387.370 5.958 30 40 GKEB C=CCN1C(=O)c2ccccc2[C@H]1c1c(-c2cccc(OC)c2)[nH]c2ccccc12 4739559 FTSHXRVYOXDJDD-VWLOTQADSA-N 394.474 5.575 30 40 GKEB CCCC/N=c1\scc(-c2ccc(OC)cc2OC)n1/N=C(\C)CCCC 6426533 AXDATDWECNZMLO-KDGLFENRSA-N 389.565 5.349 30 40 GKEB Cc1ccc(C)c(/N=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc2)c1 8368159 PLJOIVDYRKNGME-OEAKJJBVSA-N 399.899 5.475 30 40 GKEB CCCCCCCCCCOc1ccc(NC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 8403869 DCQFZWMUONTKFL-PMACEKPBSA-N 390.568 5.847 30 40 GKEB Cc1ccc(CNc2oc(-c3ccc(COc4ccc(C)cc4)o3)nc2C#N)cc1 8654593 KEZIGLZOJPKCQX-UHFFFAOYSA-N 399.450 5.614 30 40 GKEB C/C(=N/Nc1nc(-c2ccc(Cl)cc2)nc2ccccc12)c1ccc(F)cc1 38206543 KDHIIMKXZCBSDJ-VYYCAZPPSA-N 390.849 5.925 30 40 GKEB CCCCCCCn1c([C@H](C)c2ccc(CC(C)C)cc2)nc2ccccc21 50704982 CIZWPMFFZWPRDR-OAQYLSRUSA-N 376.588 7.357 30 40 GKEB CCCCCCCCCC(=O)Nc1ccc(C(=O)OCCCCCC)cc1 98001405 UKJJXSIYTYHEHK-UHFFFAOYSA-N 375.553 6.503 30 40 GKEB biogenic CCCCCCCCCCCCCCCC[N+]1=C(C)C(C)(C)c2ccccc21 100702353 JFWSDVNFVSKUIQ-UHFFFAOYSA-N 384.672 8.564 30 40 GKEB O=C1N/C(=N\c2ccccc2)S/C1=C/c1ccc(-c2ccc(F)c(Cl)c2)o1 113831905 MXZOCGFMMGZSEJ-WOJGMQOQSA-N 398.846 5.631 30 40 GKEB CC(C)c1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1 408938451 QSXUORRBUWYXHW-PXJUGDNGSA-N 392.546 7.387 30 40 GKEB CC(C)(C)c1ccc(-c2nc3cc(/N=C/c4cccc(F)c4O)ccc3o2)cc1 3080006 ZSGFWKJFXHWHBB-VULFUBBASA-N 388.442 6.388 30 40 GKEB C=CCc1cccc(/C=N/Nc2nc(-c3ccc4ccccc4c3)cs2)c1O 4175822 DVIQYCCWJDFIKN-ZVHZXABRSA-N 385.492 5.843 30 40 GKEB C=CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(Cl)s1 8164161 KBYUWAISLAZADX-UHFFFAOYSA-N 388.842 5.047 30 40 GKEB CC(C)(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O 9184174 XUJFHXRXTHFABN-IUXPMGMMSA-N 391.250 5.561 30 40 GKEB O=[N+]([O-])c1cccc(-c2ccc(/C=N/NCc3c(Cl)cccc3Cl)o2)c1 9195532 ROMJJFPHYOJDLZ-UFFVCSGVSA-N 390.226 5.285 30 40 GKEB C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@@H]1CC[C@@H]2[C@H](C)CCCC(C)C 12494489 QYSXJUFSXHHAJI-GOTMLVSZSA-N 384.648 7.619 30 40 GKEB endogenous,world CCCCOc1ccc(C(=O)/C=C/Nc2ccccc2C(=O)c2ccccc2)cc1 44843013 TYMLKUMGIQVPPH-ISLYRVAYSA-N 399.490 5.905 30 40 GKEB CC(=O)/C(Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)=C(/C)O 100090642 NWBKGYDCPMJLKQ-SFQUDFHCSA-N 385.876 5.058 30 40 GKEB CCCCCCCCCCn1c(CSCc2ccccc2)nc2ccccc21 101433850 FHHFOMBVNRPOIO-UHFFFAOYSA-N 394.628 7.610 30 40 GKEB O=C1/C(=C2\Cc3ccccc3N2)c2ccc(Br)c3c(Cl)ccc1c23 102605644 IGIDPPOWWJBRTO-FBMGVBCBSA-N 396.671 5.831 30 40 GKEB CCCCCCCC/C=C/CCCCCCCC1=NC(C)(C)CN1C(C)C 104326514 QKZQHDILYLURDR-BUHFOSPRSA-N 376.673 7.925 30 40 GKEB CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccc(N(CC)CC)cc2)c1C 166297464 BHKNTYMVOSIVAJ-OVVQPSECSA-N 387.571 6.562 30 40 GKEB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1C/C(=C\c1ccccc1F)C2=O 245229143 OIEOFEFLLYWLLM-CGJHSASGSA-N 380.547 6.821 30 40 GKEB C[C@H]1CCCN(c2ccc([C@H](C)NC(=S)Nc3ccc(CC#N)cc3)cc2)C1 260739842 QAEAVLIAYRBSER-ROUUACIJSA-N 392.572 5.037 30 40 GKEB CCCCCCOc1ccc(C=Nc2ccc(C(=O)OCCCC)cc2)cc1 299888514 MKPUCYFWMJISAK-UHFFFAOYSA-N 381.516 6.353 30 40 GKEB COc1ccc2ccccc2c1/C=C1/SC(=Nc2ccc(C)cc2C)NC1=O 408723869 XHCYOBIOPBUMSP-FYJGNVAPSA-N 388.492 5.357 30 40 GKEB Cc1ccc(C(=O)Oc2ccc(/C=N/Nc3nc4ccccc4s3)cc2)cc1 408737784 XOHFAMMVRFXOHZ-OEAKJJBVSA-N 387.464 5.270 30 40 GKEB O=C(O)c1cc(/N=C\c2ccc(Sc3ccc(Cl)cc3)s2)ccc1O 409018932 ZDESZDUZCPBQAG-JMIUGGIZSA-N 389.885 5.707 30 40 GKEB C=C(C)C[N+](C)(C)CCOCCOc1ccc(C(C)(C)CC(C)(C)C)cc1 1867124 TUWSZEHNRZPFFE-UHFFFAOYSA-N 376.605 5.448 30 40 GKEB Cc1ccc2oc(-c3cc(/N=C/c4ccccc4Cl)ccc3Cl)nc2c1 2067332 NXNNBZSMEIGQCT-WYMPLXKRSA-N 381.262 6.861 30 40 GKEB N#Cc1c(SCC(=O)c2ccccc2)nc(-c2ccccc2)c2c1CCCC2 2317911 SARSDVGEADZDDN-UHFFFAOYSA-N 384.504 5.474 30 40 GKEB CC[C@@H](C)c1ccc([C@H]2Sc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1 7449672 QTYJQCGTHBREMA-VOIUYBSRSA-N 391.580 7.102 30 40 GKEB O=C(Oc1ccc(/C=N/Nc2nc3ccccc3s2)cc1)c1ccc(F)cc1 59194422 ABVMWDWINOLOEA-YDZHTSKRSA-N 391.427 5.101 30 40 GKEB C=CCSc1ccccc1C(=O)NCCSCc1cccc(Cl)c1 219799433 JQBOAUSZNWBYQR-UHFFFAOYSA-N 377.962 5.281 30 40 GKEB C=CCC(C(=O)Nc1ccc(OC)c(OC)c1)(c1ccccc1)c1ccccc1 225935545 YCDFAILFTQYAAJ-UHFFFAOYSA-N 387.479 5.205 30 40 GKEB C=C(C)[C@H]1CC[C@@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CCC(=O)C[C@H]5CC[C@@]43C)[C@@H]12 253501175 JMNNBGGLFDJNBE-AVZJAQDASA-N 396.659 7.597 30 40 GKEB Cc1cc(C)c([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1C 408720531 SZIMBBGPVVSUOS-HHHXNRCGSA-N 395.546 7.075 30 40 GKEB C=CCn1c(SCc2cccc(Cl)c2)nc2sc(C)c(C)c2c1=O 2393600 GMFWNZJFQOJAIO-UHFFFAOYSA-N 376.934 5.207 30 40 GKEB O=C1/C(=C\c2ccc(-c3ccccc3)cc2)[C@H](c2ccccc2)Oc2ccccc21 3324113 AKKXRUZBPHSEAB-KJANZVAVSA-N 388.466 6.754 30 40 GKEB COc1ccc(C2=NN([C@@H](C#N)c3ccc(OC)cc3)[C@H](c3ccccc3)C2)cc1 4580533 PQOONWXYKHRVJH-DQEYMECFSA-N 397.478 5.120 30 40 GKEB aggregator CCCCOc1ccc(C(=O)Oc2ccc(/N=N/c3ccc(C#N)cc3)cc2)cc1 5003630 QWJICUZHYKFDNL-CYYJNZCTSA-N 399.450 6.372 30 40 GKEB COc1c(Br)cc(/C=N/c2ccc(C)cc2C)cc1Br 5379853 BUYHRTUBMULQJJ-DJKKODMXSA-N 397.110 5.588 30 40 GKEB Cc1cc(/C=N/c2ccc(-c3ccccc3)cc2)c(C)n1NC(=O)c1ccccc1 8334617 UDRYJYKAAZQHPY-OVVQPSECSA-N 393.490 5.906 30 40 GKEB CCCCOc1cccc([C@H]2C(C(C)=O)=C(C)Nc3nc4ccccc4n32)c1 20797250 AXJFJLTXSCASKF-QFIPXVFZSA-N 375.472 5.093 30 40 GKEB Cc1ccc(-c2csc(N/N=C/c3cc(Cl)cc(Cl)c3O)n2)cc1 59386947 XFTSMMRPRDIHGG-DNTJNYDQSA-N 378.284 5.577 30 40 GKEB CCCCCCCCCCOc1ccc(/C(=N/OC)c2cccc(OC)c2)cc1 102945089 JCGUZNHGRZBMLT-QPLCGJKRSA-N 397.559 6.614 30 40 GKEB Cc1c(/C=N/N=C2/CC[C@@H]3[C@H]4CC[C@@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]23C)cnn1C 253505281 FTSQLIABFSZKPD-VIXPVNEFSA-N 394.607 5.936 30 40 GKEB Cc1cc(-c2ccc(/C=N/Nc3nc4ccccc4s3)o2)ccc1[N+](=O)[O-] 408728307 ZLXKKIXSIXCKFO-RGVLZGJSSA-N 378.413 5.219 30 40 GKEB Cc1cc(/C=N/c2ccc3c(c2)OCO3)c(C)n1-c1cccc(Cl)c1Cl 408912608 RFWDFACISHEHLF-AUEPDCJTSA-N 387.266 5.880 30 40 GKEB CCN(CC)c1ccc(-n2c(C)cc(/C=N/c3ccc(C(=O)O)cc3)c2C)cc1 408913455 UUMIVTNQEDJLHG-PCLIKHOPSA-N 389.499 5.389 30 40 GKEB FC(F)(F)C(F)(F)C(F)(F)N/N=C\c1ccc(-c2cccc(Cl)c2)o1 409030816 FQOANQXVXZKBGU-FINSYCMTSA-N 388.670 5.314 30 40 GKEB CCCCOc1ccc2ccccc2c1/C=N/c1sc2c(c1C#N)CCCC2 409063085 GSGGMBTVCRVJMN-WGOQTCKBSA-N 388.536 6.581 30 40 GKEB COc1ccccc1Oc1ccc(/N=C/c2ccc(N3CCCC3)c(F)c2)cc1 409114025 IBPKMUPHULLXSP-YZSQISJMSA-N 390.458 5.977 30 40 GKEB Cc1oc(/N=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)c(C#N)c1C 409143206 VXXWYBQOKZTHIB-FSJBWODESA-N 375.384 5.006 30 40 GKEB Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(F)c2)cc1 1076912 WJALYJZEKZQZGL-BCHFMIIMSA-N 398.481 6.114 30 40 GKEB O=[N+]([O-])c1cc(/C=N/c2ccc3oc(-c4ccccc4)nc3c2)ccc1Cl 1433852 AZANZRQTZXYWKN-WSDLNYQXSA-N 377.787 5.807 30 40 GKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2C#N)C1 2738587 FVLKQVTYABYGQA-AWEZNQCLSA-N 397.500 5.321 30 40 GKEB Clc1cccc(-c2nc3cc(/N=C/C=C/c4ccccc4)ccc3o2)c1Cl 3113153 GLODTIMTTHRFMB-UAPAKVGBSA-N 393.273 7.217 30 40 GKEB C[C@@H]1CCc2sc(NC(=O)c3ccc(Cc4ccccc4)cc3)c(C#N)c2C1 4075741 DWHQNEPIMWIDDB-MRXNPFEDSA-N 386.520 5.588 30 40 GKEB Cc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3ccc(Cl)cc3)cc1)N2 4181632 VPIGVRSDCDFOAW-IFGJPTHRSA-N 398.937 7.226 30 40 GKEB C=C1CC[C@@H](O)C/C1=C/C=C1/CCC[C@]2(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]12 5380435 QYSXJUFSXHHAJI-PAMMNBEHSA-N 384.648 7.619 30 40 GKEB CC(C)(C)c1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)OCC#N)cc1 6313480 KMCWCBUVSJYXTJ-FBMGVBCBSA-N 396.490 5.699 30 40 GKEB Cc1cc(Cl)ccc1OCC(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 6425300 NHXSZVSEUSLMCG-UHFFFAOYSA-N 377.827 5.172 30 40 GKEB Cc1ccc(/N=C/c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)c(C)c1 8368659 XAPSRQFVTSAIBZ-DHRITJCHSA-N 384.306 6.940 30 40 GKEB COc1cccc(/C=N/c2ccc(-c3nc4ccccc4s3)c(O)c2)c1O 13307015 RLYBNDVYMKMTFS-WSDLNYQXSA-N 376.437 5.134 30 40 GKEB C/C(=N/Nc1ccc(C(=O)O)cc1)c1ccc2c(c1)Nc1ccccc1S2 15952539 MHGPTWIKWPWDAJ-QRVIBDJDSA-N 375.453 5.429 30 40 GKEB CC/C(C)=N\Nc1nc2c(cc(Cl)c3nc(N/N=C(/C)CC)sc32)s1 57327744 UCGVLECQQJLOHP-OJRZISNZSA-N 394.957 5.955 30 40 GKEB CCCCCCCCC[C@H]1C[C@@H]1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 100052391 RTQFMHKEIOUPDD-YUWQGBPXSA-N 391.559 7.817 30 40 GKEB COc1ccccc1N/C=C/c1onc(-c2c(Cl)cccc2Cl)c1C#N 100296192 HOMJNHWMNCYLRF-MDZDMXLPSA-N 386.238 5.611 30 40 GKEB CCCCCCCCCCC[C@@]1(CCCCCC(=O)O)OCC(C)(C)N1[O] 138558501 XWYVCMZFJHKGRC-QFIPXVFZSA-N 384.581 6.095 30 40 GKEB C#CCOc1ccc2ccccc2c1[C@H]1SCC(=O)N1c1ccc(Cl)cc1 408559881 WYGRJWXWGGHOHA-JOCHJYFZSA-N 393.895 5.284 30 40 GKEB CCOc1ccc(/N=C\c2cccc(OCc3ccc(C(=O)O)cc3)c2)cc1 409202376 SDADQKQOMMPVAM-IWIPYMOSSA-N 375.424 5.113 30 40 GKEB O=C(Oc1ccc2c(c1)O/C(=C\c1cccs1)C2=O)c1ccc(Cl)cc1 2412284 BDSZKYKAKHZDMX-WQRHYEAKSA-N 382.824 5.237 30 40 GKEB N#Cc1c(/N=C/c2ccc(OC(F)F)cc2)oc(-c2ccco2)c1-c1ccco1 3240344 RMAGMGMNTYLLCD-BRJLIKDPSA-N 394.333 6.023 30 40 GKEB COc1ccc(C(=O)/C=C/c2cccc(OC(=O)/C=C/c3ccccc3)c2)cc1 4044775 CTLQDHDDHYCSHW-OTYYAQKOSA-N 384.431 5.210 30 40 GKEB biogenic Cc1cccc(C[C@H]2S/C(=N\N=C\c3ccccc3)N(c3ccccc3)C2=O)c1 4159515 IPDOZXNMKSRPHL-VMWROYDRSA-N 399.519 5.076 30 40 GKEB Cc1ccc(N2C(=O)c3ccccc3Oc3cc(C#N)c(C#N)cc32)cc1Cl 4744516 NUTLAAYSWWTGSN-UHFFFAOYSA-N 385.810 5.476 30 40 GKEB C[C@H]1C/C(=N\NC(=S)Nc2cc(C(F)(F)F)ccc2Cl)CC(C)(C)C1 5834985 CPWRAWFFVIGDHR-LEYZNHRBSA-N 391.890 5.847 30 40 GKEB C=CCOc1ccc(Br)cc1CNc1ccc(Br)cc1 6295860 BRIGFDJPNYGVNM-UHFFFAOYSA-N 397.110 5.389 30 40 GKEB Cc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)c(C)c1 8368650 SDILVVUOKZEJSM-DHRITJCHSA-N 384.306 6.940 30 40 GKEB COc1ccccc1[C@@H](C)NC(=O)c1ccccc1Sc1ccccc1C#N 9166579 IACICWUQROMYBH-MRXNPFEDSA-N 388.492 5.209 30 40 GKEB C(=N/c1cccc(N(Cc2ccccc2)Cc2ccccc2)c1)\c1ccccc1 18119212 XPCLIJWBFYCJLR-VFCFBJKWSA-N 376.503 6.644 30 40 GKEB CCCCCCCCCCOC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 98001355 FHRDOGJIFDQXKW-UHFFFAOYSA-N 395.543 6.545 30 40 GKEB Clc1ccccc1/C=N\CC1CCC(C/N=C\c2ccccc2Cl)CC1 104168639 UMXZABWRYJGQFD-YXHOTNNGSA-N 387.354 6.338 30 40 GKEB CCOc1ccc(Cl)cc1/C=C1/S/C(=N\c2ccc(C)cc2)N(C)C1=O 135988924 XHBRZSMSNIGIKL-FTIPTLOASA-N 386.904 5.281 30 40 GKEB O=C1/C(=N\c2cccc(C(F)(F)F)c2)c2ccccc2[C@H]1Nc1ccccc1 1570009219 HJDPROZDKNIETL-YADXCZPOSA-N 380.369 5.562 30 40 GKEB N#Cc1c(Nc2cccc(C(F)(F)F)c2)sc(C(=O)c2ccccc2)c1N 658784 WOVLASQJWYDHCK-UHFFFAOYSA-N 387.386 5.195 30 40 GKEB N#Cc1ccc(-c2ccccc2Cl)n(Cc2ccc(Cl)c(Cl)c2)c1=O 3051152 YLVGATZGSPSNOR-UHFFFAOYSA-N 389.669 5.395 30 40 GKEB Cc1ccsc1/C=C1/CC(c2ccccc2)C/C(=C/c2sccc2C)C1=O 3299532 PYDMONRVAWKWEV-SIBCGJTDSA-N 390.573 7.040 30 40 GKEB CCc1ccccc1/N=C1\S/C(=C/c2c[nH]c3ccccc23)C(=O)N1CC 4664457 JSKKPHPMTMDQPI-POHNCSCLSA-N 375.497 5.354 30 40 GKEB CN1/C(=C/C=C/C=C/C=C2C(=O)c3ccccc3C2=O)C(C)(C)c2ccccc21 5580292 MGZOKNHCACVLNG-RHMYBJFYSA-N 381.475 5.416 30 40 GKEB C(=C/c1ccccc1)\C=N\Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 5680616 ZDILMTSZDBXYPU-JOUPJCCWSA-N 381.504 6.588 30 40 GKEB COc1ccccc1/C=C1\S/C(=N/c2cc(Cl)cc(Cl)c2)N=C1O 6848920 IZAXJTZSRJCOGP-UUASQNMZSA-N 379.268 5.734 30 40 GKEB CCOc1cc(/C=N/c2ccc(OC)cc2)ccc1OCc1cccc(F)c1 6961454 IPTRHAHOKMTFEC-MFKUBSTISA-N 379.431 5.563 30 40 GKEB CC(C)(C)c1ccc(-c2nc(SCc3ccc(F)cc3)nc(O)c2C#N)cc1 11999917 BYJZWGFYDVSTNJ-UHFFFAOYSA-N 393.487 5.450 30 40 GKEB O=C1N/C(=N\c2ccc(Cl)cc2)S[C@@H]1Cc1cccc(Cl)c1Cl 13564515 LPFXTJFIRLVDEP-CYBMUJFWSA-N 385.703 5.109 30 40 GKEB aggregator C(=N/Cc1ccccc1)\c1ccccc1-c1ccccc1/C=N/Cc1ccccc1 18205984 RWFUQMSVHGTTMK-VFIVCBTMSA-N 388.514 6.592 30 40 GKEB Cc1ccc(-n2c(C)cc(/C=N/NC(=S)Nc3ccccc3)c2C)cc1C 28217521 HGPZUJHNUCINEV-OEAKJJBVSA-N 376.529 5.031 30 40 GKEB CN(C)c1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 33904759 SAWUGAKYRLBMPF-ISSOZRQYSA-N 399.519 5.561 30 40 GKEB O=C1N/C(=N/c2ccc(Cl)c(C(F)(F)F)c2)S/C1=C/c1ccccc1 35623331 DZUFRWUTSHXDQG-RIYZIHGNSA-N 382.794 5.250 30 40 GKEB C=CCOc1ccccc1/C=C1/SC(Nc2ccc(CCCC)cc2)=NC1=O 35644748 RGPURSHVIBTBAN-LTGZKZEYSA-N 392.524 5.676 30 40 GKEB Clc1cc(/N=C/c2ccc(N3CCCCC3)cc2)ccc1Br 164715626 OKWTVIDCCJPZKW-FYJGNVAPSA-N 377.713 5.843 30 40 GKEB CN1C(=O)/C(=C/c2ccc(-c3cccc(F)c3)o2)SC1=Nc1ccc(F)cc1 409012786 KQSYSSXTBWMXRS-MPZUNYIRSA-N 396.418 5.459 30 40 GKEB CCCn1c(C)c(/C=N\Nc2c(F)c(F)c(F)c(F)c2F)c2cc(C)ccc21 409038533 PABYESAPARIGOO-WMDMUMDLSA-N 395.375 5.810 30 40 GKEB Cc1cccc(/N=C\c2cccc(OCc3ccc(Br)cc3)c2)c1C 409213800 QXLPTAPSXPPXTM-OYKKKHCWSA-N 394.312 6.396 30 40 GKEB C=C(C)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCC3 985754 YRHBCUTXYANKCV-UHFFFAOYSA-N 382.554 5.053 30 40 GKEB CCOc1cccc(/C=N/c2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c1O 3150256 KDJHADJFESIZPU-AFUMVMLFSA-N 386.451 5.967 30 40 GKEB N#Cc1c(/N=C\c2nc3ccccc3[nH]2)oc(-c2ccccc2)c1-c1ccccc1 5635431 TYXJDTHLAZJVST-YUMHPJSZSA-N 388.430 6.112 30 40 GKEB CCc1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1 8084395 KMKSCUHQOKRFTE-MFKUBSTISA-N 379.887 6.241 30 40 GKEB COc1cc(/C=N/c2cc(C)ccc2C)ccc1OCc1ccc(Cl)cc1 8368069 JBCKYUUDUTYCPM-AFUMVMLFSA-N 379.887 6.295 30 40 GKEB C=CCn1c(C)nnc1S[C@@H](C(=O)c1ccc(C)cc1)c1ccc(C)cc1 8394756 YIRNDSNXJXQLKH-OAQYLSRUSA-N 377.513 5.106 30 40 GKEB C/C(=N\Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(C(C)(C)C)cc1 12362644 NISMTWSLIGFFBS-ZVHZXABRSA-N 383.948 6.597 30 40 GKEB CCCCCCCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(CC)cc2)cc1 97940380 HSNQGTZUTWFQBG-LJQANCHMSA-N 383.532 6.004 30 40 GKEB CCc1ccccc1-n1c(C)cc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c1C 169218804 LZVGSQPPPANMEZ-YDZHTSKRSA-N 381.863 5.969 30 40 GKEB N#Cc1c(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)sc2c1CCC2 408629253 SFYIWIAEBDSQCB-PKNBQFBNSA-N 394.883 5.674 30 40 GKEB CSc1ccc(/C=C2\SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1 408772814 ICRYDQDUVBFXCU-ZROIWOOFSA-N 395.336 5.607 30 40 GKEB C=CCOc1ccc(/C=C2/S/C(=N\c3cc(C)ccc3C)N(CC)C2=O)cc1 408907380 MSKXBYVMKARFHP-NVZLDUMVSA-N 392.524 5.492 30 40 GKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3cccc4ccccc34)c2C)c1 408967842 SJMKXTNXPJMKGE-WPWMEQJKSA-N 396.490 6.175 30 40 GKEB O=[N+]([O-])c1cccnc1N/N=C\c1ccccc1Sc1ccc(Cl)cc1 409100003 PBZXRAQJNHWORV-MTJSOVHGSA-N 384.848 5.240 30 40 GKEB N#Cc1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)o2)cc1 1097231 GATNLKUOHAKGBZ-XDHOZWIPSA-N 388.473 5.224 30 40 GKEB CC(C)(C)c1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 2741354 YFSCPENUVKXPHG-QGZVFWFLSA-N 394.584 6.321 30 40 GKEB C(=N/Nc1ncnc2scc(-c3ccccc3)c12)\c1ccc2ncccc2c1 5516353 IXPOBDIZKMVPMD-RPPGKUMJSA-N 381.464 5.353 30 40 GKEB C#CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CCC)C2=O)cc1 8363044 ZMQYIJJHYBFFBY-RERTVAKNSA-N 390.508 5.021 30 40 GKEB CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](CO)OC(C)=O 14953244 PWTCCMJTPHCGMS-GMAFFVFYSA-N 398.584 5.491 30 40 GKEB in-vitro COc1ccc([C@H]2CC(=O)N(c3ccccc3)/C(=N/c3ccccc3)S2)cc1 17043578 GNJHHOPKYPFAKR-STYZJACHSA-N 388.492 5.594 30 40 GKEB O=C(ON=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C1CCCCC1 59461454 UZUXUFUGUOMMSG-UHFFFAOYSA-N 376.283 5.869 30 40 GKEB COC(=O)c1ccc(/N=C/c2cccn2-c2ccc(Br)cc2)c(C)c1 59679116 SSGIPBWVBQPIQJ-LPYMAVHISA-N 397.272 5.085 30 40 GKEB C(#CCN(c1ccccc1)c1ccccc1)CN(c1ccccc1)c1ccccc1 67340252 NSEDVVNTDAMRCN-UHFFFAOYSA-N 388.514 6.666 30 40 GKEB CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc(C#N)cc1 102484531 LJUAWURLVBLTOC-XMMPIXPASA-N 399.494 5.761 30 40 GKEB COc1ccc(/C(C)=N/Nc2nc(-c3ccc(Cl)cc3)cs2)cc1OC 408737673 ULIKJCRFXXXUKP-WSDLNYQXSA-N 387.892 5.317 30 40 GKEB CC(C)n1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)c2ccccc21 408899086 SQWXJPADPNHHIK-UHFFFAOYSA-N 375.468 5.350 30 40 GKEB O=C1/C(=C\c2ccccc2)S/C(=N\c2ccccc2)N1CCc1ccccc1 408907851 PIEGCYKQBTUUDD-KEOPVFRESA-N 384.504 5.533 30 40 GKEB Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(OC(C)C)c(Cl)c3)S2)cc1 408965383 LAJUPZVUSDFOSV-WOJGMQOQSA-N 386.904 5.327 30 40 GKEB Fc1ccc(COc2ccc(/C=N/Nc3ccc(C(F)(F)F)cn3)cc2)cc1 409094042 CTDJJGVDCVJGDQ-KBKYJPHKSA-N 389.352 5.265 30 40 GKEB COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccc4ncccc4c32)cc1 1423235 CWXLXUUESSHARQ-JOCHJYFZSA-N 384.479 5.444 30 40 GKEB Cc1ccc(N/N=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 4175329 WZUGRBNFZWZCBT-XQNSMLJCSA-N 397.301 5.221 30 40 GKEB Cc1ccc(-n2c(C)cc(/C=N/c3ccc(Br)cc3C)c2C)cc1C 4738836 QTBDHPADVFMPFL-ZMOGYAJESA-N 395.344 6.533 30 40 GKEB COc1cc(C#N)ccc1Oc1ncnc2scc(-c3ccc(Cl)cc3)c12 5934862 PXEHWWQIOIXFMZ-UHFFFAOYSA-N 393.855 5.684 30 40 GKEB CCCCSc1nc(-c2ccc(OCCC)cc2)cc(C(F)(F)F)c1C#N 6708829 WJKFTFBVSGIYAK-UHFFFAOYSA-N 394.462 6.320 30 40 GKEB CCOc1ccc(/N=C/c2cc(Br)c(OCC)c(OC)c2)cc1 6962115 WOEYMQUEOBSDIY-UDWIEESQSA-N 378.266 5.006 30 40 GKEB O=C(/C=C/c1ccccc1)Oc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O 9419867 CVEKDNCJTJCYJK-HHLUSPNUSA-N 386.378 5.061 30 40 GKEB Cc1ccc(C(=O)/C(=C\c2ccc(N(C)C)cc2)c2nc3ccccc3o2)cc1 13617998 AIJFEXCNEWPFSG-LTGZKZEYSA-N 382.463 5.626 30 40 GKEB C=CCOc1cccc(/C=C2\S/C(=N/c3cccc(Cl)c3C)NC2=O)c1 17154755 ZBMNXJZJOHNWNQ-PDGQHHTCSA-N 384.888 5.105 30 40 GKEB CC(/C=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1)=C\c1ccccc1 19682397 CUYZFUYCEZRIGY-QGFLBYHTSA-N 393.534 5.463 30 40 GKEB CCCC[C@H]1S/C(=N\N=C\c2ccc(C)cc2)N(Cc2ccccc2)C1=O 51366960 NGSNJSSGLRAOBF-NAZSODNNSA-N 379.529 5.019 30 40 GKEB O=C1/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](c2ccccc2)Oc2ccccc21 96766965 LQXNXWBRZOOYAV-YAECTWJJSA-N 391.810 5.648 30 40 GKEB CCCCCCCCCCCCN(CCO)CCCCCCCCCCCC 100076949 YQFRJTDYLIBDED-UHFFFAOYSA-N 397.732 8.123 30 40 GKEB O/N=C1/[C@H]2CC[C@@H](C2)[C@H]1Sc1nc(-c2ccccc2)c(-c2ccccc2)o1 100928295 QVLKDXFKSIJEKM-UBQULFLMSA-N 376.481 5.729 30 40 GKEB Cc1ccc(-n2c(C)cc(/C=C3\SC(=N)[C@H](c4nccs4)C3=O)c2C)cc1 136296253 IBWRHXDQLZWYHY-BBBSXOBRSA-N 393.537 5.277 30 40 GKEB CC1=CC(C)(C)N(C)c2cc(C)c(/C=N/c3ccc(Br)cc3)cc21 198149966 PXNKFQDUFSEVTF-YDZHTSKRSA-N 383.333 6.140 30 40 GKEB Clc1ccc(/N=C\c2ccccc2I)cc1Cl 408552402 SVNIGUFAGICELU-IUXPMGMMSA-N 376.024 5.349 30 40 GKEB Cc1sc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c(C#N)c1C 408629018 HZMREVXZXMRTTC-UHFFFAOYSA-N 391.279 6.056 30 40 GKEB Cc1cc(/C=N/c2cccc(Br)c2)c(C)n1-c1ccc(Cl)cc1 408738086 NHWIIYOBPJWIDM-WSDLNYQXSA-N 387.708 6.261 30 40 GKEB Cc1cc(/N=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)cc([N+](=O)[O-])c1C 408756401 RAJFRZOPBLMHRU-FMCGGJTJSA-N 381.863 6.023 30 40 GKEB CC(C)(C)c1cc(/C=N/c2sc3c(c2C#N)CCCC3)cc(C(C)(C)C)c1O 409062905 CQHKXBIXBJXXSY-VULFUBBASA-N 394.584 6.550 30 40 GKEB O=C1CCCC2=C1c1c(ccc3ccccc13)N[C@H]2c1cccc2ccccc12 970620 RMVSXLTVPXTOTM-MHZLTWQESA-N 375.471 6.666 30 40 GKEB C[N+](C)(CC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1)Cc1ccccc1 1761775 LCRAJUANLPEGNP-UHFFFAOYSA-O 395.910 5.347 30 40 GKEB C=C(C)Cn1c(SCCCC)nc2sc3c(c2c1=O)CCc1ccccc1-3 2272871 XHCBMZQWEIMHED-UHFFFAOYSA-N 396.581 5.692 30 40 GKEB C=CCN(C(=O)c1ccc(C#N)cc1)c1nc(-c2ccc(Cl)cc2)cs1 2660534 VEEJLDMHYHSMAZ-UHFFFAOYSA-N 379.872 5.168 30 40 GKEB CCC(=O)Nc1ccc(-c2csc(N/N=C/c3ccc(SC)cc3)n2)cc1 6782830 CJQFDLBOWNYCNW-CIAFOILYSA-N 396.541 5.327 30 40 GKEB COc1ccccc1/C=N/N(C)c1nc(-c2ccccc2)cc(-c2ccccc2)n1 13304941 GUMABQQLDWMIOC-NLRVBDNBSA-N 394.478 5.290 30 40 GKEB Cc1ccccc1/C=C1\Oc2cc(OC(=O)/C=C/c3ccccc3)ccc2C1=O 13628514 CGBOULHYZQROQZ-TZOKSIDISA-N 382.415 5.230 30 40 GKEB CCc1ccc(C(=O)C[n+]2cc(-c3ccc(Cl)cc3)n3c2CCCCC3)cc1 27027294 SDFHFTWBVMGFSL-UHFFFAOYSA-N 393.938 5.268 30 40 GKEB CC1CCN(C/C(O)=N/c2ncc(Cc3cccc(Cl)c3Cl)s2)CC1 51364646 WOOWRAXFFPMBIS-UHFFFAOYSA-N 398.359 5.361 30 40 GKEB C=C(C)COc1ccc([C@H]2SC(C)=Nc3c2c(O)nn3C(C)C)cc1OC 71284081 YPOSAKULRXPOCZ-GOSISDBHSA-N 387.505 5.019 30 40 GKEB CCCCCCCCCCCCSc1nc2c([nH]1)c(=O)n(C)c(=S)n2C 95871074 PEAOVXMJAWPZGN-UHFFFAOYSA-N 396.626 5.343 30 40 GKEB CCOc1ccc(/N=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 100365607 BJWJNDGHFDIWJL-MFKUBSTISA-N 379.431 5.563 30 40 GKEB CCCCCCCCNCc1cc(Br)c(OCC)c(OCC)c1 102561787 PPTNITYARATUBD-UHFFFAOYSA-N 386.374 5.697 30 40 GKEB CCCCCCCC/C=C\CCCCCCCC(=O)NCCCOC(C)C 104109882 QXRJLSIDXTWQBF-QXMHVHEDSA-N 381.645 6.955 30 40 GKEB CCCCCCCCCCCCN[C@H](c1ccccc1)[C@@H](O)c1ccccc1 104347865 OXGAUKCISNQVTM-FTJBHMTQSA-N 381.604 6.972 30 40 GKEB C=CCN1C(=O)/C(=C/c2cc3c(cc2C)N(C)C(C)(C)C=C3C)SC1=S 208461677 IWDUCOXDLWLBMT-WQRHYEAKSA-N 384.570 5.014 30 40 GKEB C=CCOC(=O)/C=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 226334191 ZCULLZQZJFGCGA-VMPITWQZSA-N 397.685 5.968 30 40 GKEB CCCCOc1ccc(/C=N/c2nc3c(s2)CCc2ccc(OC)cc2-3)cc1 408722092 DITRQDHMAVDLNI-BUVRLJJBSA-N 392.524 5.847 30 40 GKEB Cc1cccc(C)c1N=C1S/C(=C\c2ccc(N3CCCC3)cc2)C(=O)N1C 408961884 VGOQTFHEPRZXAS-UBWZAKNHSA-N 391.540 5.137 30 40 GKEB COc1cc(C)c(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1C(C)C 409095856 DQOWLLQFSGIBND-AUEPDCJTSA-N 395.381 5.500 30 40 GKEB COc1ccc(/C=C/C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc1 409295346 QQLKRYLAVCHMPZ-ITMVWLFHSA-N 387.483 5.000 30 40 GKEB Cc1nc(/C(C#N)=N/Nc2ccc(Cl)cc2)sc1/N=N/c1ccccc1 4292800 QOBOSTCUKSCXSH-HWFUBKEOSA-N 380.864 5.860 30 40 GKEB Oc1ccc2ccccc2c1/C=N/Nc1nc(-c2ccc(Cl)cc2)cs1 5669520 CCTLUASXYPKCBH-SSDVNMTOSA-N 379.872 5.768 30 40 GKEB C=CCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCCCC)n2)cc1 15228429 HBWQUVNLCLXXPE-UHFFFAOYSA-N 392.446 6.096 30 40 GKEB COc1ccccc1/C=N/c1c2c(nn1-c1ccccc1)Oc1c(C)cccc1C2 20849559 JZUXMPXLRSYSLF-WGOQTCKBSA-N 395.462 5.636 30 40 GKEB Cc1cc2cc(C#N)c(SCC(=O)Nc3cccc(C)c3C)nc2cc1C 34791495 UHMXXJFEKOGDGF-UHFFFAOYSA-N 375.497 5.071 30 40 GKEB C[C@H](/C(O)=N/c1nc(-c2ccc(F)c(F)c2)cs1)N(C)Cc1ccccc1 49595346 XPWFVXPFZHLKHB-CYBMUJFWSA-N 387.455 5.197 30 40 GKEB CCCCCCOc1ccc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1 408540270 PKWILXIHLFYIRN-LTGZKZEYSA-N 394.540 5.846 30 40 GKEB CCC(C)(C)[C@@H]1CCC(=O)/C(=C/Nc2ccc(Oc3ccc(OC)cc3)cc2)C1 408563329 LEUCXNHOWPVACA-ZELAZJAISA-N 393.527 6.589 30 40 GKEB Cc1cccc(N=C2NC(=O)/C(=C/c3cc(C)n(C4CCCC4)c3C)S2)c1 408779094 QYTOLNPWJYAKEV-MOSHPQCFSA-N 379.529 5.420 30 40 GKEB COc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)cc1 408953563 OPSQHPBOLYCPRT-NBWKYZOKSA-N 380.491 6.272 30 40 GKEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(N4CCCC4)cc3C)S2)cc1 408961680 UNTUNSNRBCQLDS-QNGOZBTKSA-N 391.540 5.049 30 40 GKEB C=CCn1c(SCC(=O)c2ccc3ccccc3c2)nnc1-c1cccs1 2233597 TYSFIYJWQDXHHA-UHFFFAOYSA-N 391.521 5.321 30 40 GKEB CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1ccccc1Cl 4066965 MPZHQXFMUXFKJL-IBGZPJMESA-N 389.882 5.278 30 40 GKEB Oc1ccc(Cl)cc1/C=N/c1cc(C(F)(F)F)ccc1N1CCCCC1 4359736 YRSDSEQTOXUCJB-WYMPLXKRSA-N 382.813 5.805 30 40 GKEB Cc1cc(C)cc(NC(=O)CSc2nc3c(C)c(C)ccc3cc2C#N)c1 4849084 YUWKBTJSRQBACP-UHFFFAOYSA-N 375.497 5.071 30 40 GKEB COc1cc(C)c(/C=C2\S/C(=N/c3ccc(F)cc3)NC2=O)cc1C(C)C 16267877 HNAJYLVDSSKSDM-ODLFYWEKSA-N 384.476 5.158 30 40 GKEB Cc1c(Br)c(/C=N/c2ccccc2C(C)C)c(C)n1-c1ccccc1 59104726 WTWUCBDALPKGOR-ZVHZXABRSA-N 395.344 6.731 30 40 GKEB N#C[C@H](NC(=O)c1ccc(F)c(C(F)(F)F)c1)c1cccc(Cl)c1Cl 78718770 RFZJHMPJGQUJEN-ZDUSSCGKSA-N 391.151 5.146 30 40 GKEB CSc1ccccc1/N=C(\O)CN(C)C(c1ccccc1)c1ccccc1 82087962 LWQYMMWRVUULIV-UHFFFAOYSA-N 376.525 5.718 30 40 GKEB O=C(/C=C/Nc1ccc(Oc2ccccc2)cc1)c1ccc(OCCCF)cc1 100418659 RHRCIRNPBFZFCK-BMRADRMJSA-N 391.442 6.026 30 40 GKEB CCCCCCCCCCc1nc2c(o1)C[C@H](C[C@H](C)SCC)CC2=O 103007855 XPMUBDVPBVNGDZ-ZWKOTPCHSA-N 379.610 6.635 30 40 GKEB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)cc1C#N 225845049 FSHKYAGXSAFGIR-UHFFFAOYSA-N 388.552 5.542 30 40 GKEB COc1ccc(OC)c(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1 409092937 XYQNHXSHHHTEOK-MMTYYTLLSA-N 382.529 5.539 30 40 GKEB C[C@@H](C/N=C/c1c(O)ccc2ccccc12)/N=C/c1c(O)ccc2ccccc12 1435482 YXRVDXKNVUCZDC-ZWSURVCOSA-N 382.463 5.331 30 40 GKEB Cc1ccc2oc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc(=O)c2c1 2317268 YYIQJYJZNODFIR-UHFFFAOYSA-N 378.190 5.026 30 40 GKEB Oc1ccc(Cc2ccccc2Cl)cc1/C=N/C12CC3CC(CC(C3)C1)C2 6528713 VBMWXYCLKPJJDP-CVKSISIWSA-N 379.931 6.024 30 40 GKEB CCOc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OCc1ccccc1 6959913 GQZPCZCGGADZLJ-CVKSISIWSA-N 393.914 6.685 30 40 GKEB N#CCCn1nc(-c2ccccc2)c2c1Nc1ccccc1N[C@H]2c1ccccn1 7778763 LYBHTTMQRBGDJQ-QHCPKHFHSA-N 392.466 5.117 30 40 GKEB CC1(C)[C@H]2CC=C(/C=N/NC(=S)Nc3ccc(SC(F)F)cc3)[C@@H]1C2 8025569 PXUAVPICMYRWHS-FYSYMCJPSA-N 381.517 5.266 30 40 GKEB COc1cc(/C=N/NCc2ccccc2Cl)ccc1OCc1ccc(F)cc1 8811853 OFZUKZMPTQDSEY-DHRITJCHSA-N 398.865 5.190 30 40 GKEB COc1ccc([C@@]2(CC/N=C/c3ccc(N(C)C)cc3)CCOC(C)(C)C2)cc1 13136592 FIVMSMFFNOEBKL-YYLNTILESA-N 394.559 5.097 30 40 GKEB CC(C)c1ccc2nc(SCC(=O)Nc3ccccc3Cl)c(C#N)cc2c1 35288889 AOFCGKWODQHKGG-UHFFFAOYSA-N 395.915 5.614 30 40 GKEB CCCCCCCCCCOc1ccccc1OCCCCCCCCCC 95730993 YDBAUWPGWGYZTF-UHFFFAOYSA-N 390.652 8.726 30 40 GKEB Cc1ccc(/N=C\c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1 100138536 ZQYKEIWILULZMA-OYKKKHCWSA-N 378.859 5.417 30 40 GKEB Cc1ccc2nc(-c3ccc(/N=C\c4ccc(Cl)c(Cl)c4)cc3)sc2c1 101206333 FKQNYALAUMOZNB-MSXFZWOLSA-N 397.330 7.329 30 40 GKEB Brc1cc(/C=N\c2ccc3ccccc3c2)oc1Br 408954437 SYPNUBIOXFUZDZ-NVMNQCDNSA-N 379.051 5.708 30 40 GKEB Fc1ccc(COc2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2)cc1 409199764 DPKPDKXIQZKSOW-MTDXEUNCSA-N 397.449 6.948 30 40 GKEB Cc1cccc(/N=C/c2cc(Cl)ccc2OCc2cccc3ccccc23)c1C 409215216 YWOWHJMBOPDTHI-LQKURTRISA-N 399.921 7.440 30 40 GKEB O=[N+]([O-])c1ccc(/C=N/c2nc(-c3ccc(Br)cc3)cs2)cc1 799906 OZKHCKYRUWVOTC-GIJQJNRQSA-N 388.246 5.231 30 40 GKEB CCCC[C@H]1S/C(=N/N=C/c2ccccc2)N(Cc2ccccc2C)C1=O 4898709 HIZMJNVAYKEKLE-ANTKNQIZSA-N 379.529 5.019 30 40 GKEB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=N/Nc1nc2ccccc2s1 4978212 PDGVBANCLBPONZ-UFFVCSGVSA-N 385.855 5.029 30 40 GKEB Clc1ccc(-c2ccc(/C=N/Nc3ccc(Br)cc3)o2)cc1 6829147 YJBZNTUFBPVYON-RGVLZGJSSA-N 375.653 5.809 30 40 GKEB Fc1ccc(Cn2cc(/C=N/NCc3ccccc3Cl)c3ccccc32)cc1 8811559 GHYGYMOSZVIZIQ-MZJWZYIUSA-N 391.877 5.606 30 40 GKEB N#C[C@@]1(c2ccccc2)CCc2nc3ccc(Cl)cc3c(-c3ccccc3)c2C1 12970743 ASUPIQDEXIHRJY-AREMUKBSSA-N 394.905 6.505 30 40 GKEB Fc1cc(OC(F)(F)c2c(F)cc(Br)cc2F)cc(F)c1F 95496303 SHRYZLBRADLPQN-UHFFFAOYSA-N 389.064 5.273 30 40 GKEB Cc1nc2ccccc2c(-c2ccc(Cl)cc2)c1C(=O)/C=C/c1ccccn1 95945927 KILOEQLWLPLQRF-BUHFOSPRSA-N 384.866 6.155 30 40 GKEB CCCCCCCCCCOC(=O)/C=C\C(=O)OCCCCCCCCCC 100167521 BVVRPLNLVUMGSL-VXPUYCOJSA-N 396.612 6.910 30 40 GKEB Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 106623421 DSYKZZSJNICPPN-YYWHXJBOSA-N 376.475 5.365 30 40 GKEB COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)ccc1C 408913789 NMMJBFHVSSFGAP-GRUKXCDCSA-N 394.540 5.572 30 40 GKEB CC/N=C1/S/C(=C/c2cc(C)n(-c3c(C)cccc3C)c2C)C(=O)N1CC 408930056 RLNCGGAFIOLNRK-PIJRJAKLSA-N 381.545 5.023 30 40 GKEB CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1F)C(=O)C[C@@H]2c1ccsc1 1079626 BZHFHROMCYTTOB-CQSZACIVSA-N 387.451 5.190 30 40 GKEB CC(C)Oc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(C)C2=O)cc1 4660126 BATXVMUQJWUIPK-CFDZAGTRSA-N 386.904 5.361 30 40 GKEB C/C(=N\Nc1ncc(-c2sc(C)nc2C)s1)c1ccc(Cl)c(Cl)c1 5724587 GSFJHTLSVUJGFZ-ODCIPOBUSA-N 397.356 6.026 30 40 GKEB Oc1c(Br)cc(Cl)cc1/C=N/c1ccccc1N1CCCCC1 6615545 YFRFLOXPWOMNSJ-CIAFOILYSA-N 393.712 5.549 30 40 GKEB CC1=CC(=C2C(=O)c3ccccc3C2=O)N(Cc2ccccc2)c2ccccc21 9482563 WGFPOAOSKKMMJE-UHFFFAOYSA-N 377.443 5.443 30 40 GKEB CC1(C)CS/C(=N\Cc2ccccc2)N1C(=O)c1ccccc1C(F)(F)F 14359535 VQYJCFRDXCYWFG-MOHJPFBDSA-N 392.446 5.229 30 40 GKEB O=C1C(Cl)=C(Cl)C(=NSc2ccccc2[N+](=O)[O-])C(Cl)=C1Cl 26787372 LTNJLAQQWUXORH-UHFFFAOYSA-N 398.054 5.004 30 40 GKEB CCCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(CC)cc1)C2 97940017 TVQIWNRCMAWWKS-HXUWFJFHSA-N 395.543 5.925 30 40 GKEB CCCCCCCCCCCCC(=O)CCCC(=O)NCCCCCCC 98043294 YOGYVEUJAVUHQX-UHFFFAOYSA-N 381.645 7.123 30 40 GKEB CCCCCCCCCCOc1ccc(C(=O)N2CCc3ccccc32)cc1 100287129 HRTRBWUBMVSTRI-UHFFFAOYSA-N 379.544 6.409 30 40 GKEB CCCCCCCNCc1ccc(OCc2ccccc2Cl)c(OC)c1 102568349 UYKJXHLGHWJFMS-UHFFFAOYSA-N 375.940 5.988 30 40 GKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(O[C@H](C)CC)cc3)S2)cc1 408951175 HZCCQQGODYEQMH-NPQOUYBPSA-N 396.512 5.154 30 40 GKEB C#CCn1c(C)c(/C=N/CCNc2cccc3ccccc23)c2cccc(C)c21 409038274 VCSNAEZAHBUJET-OVVQPSECSA-N 379.507 5.576 30 40 GKEB CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccc(OC)c(Cl)c2)cc1OC 409387251 OYBQTMPIIMIRRF-JHAVZTMOSA-N 382.287 5.939 30 40 GKEB Cc1ccc(-c2ccc(C=C3C(=O)c4ccccc4C3=O)o2)cc1Br 409391567 JUDIKWVALGDDKI-UHFFFAOYSA-N 393.236 5.480 30 40 GKEB N#Cc1c(NC(=O)COc2ccccc2)oc(-c2ccccc2)c1-c1ccccc1 978515 WEAGSQATUNXRTI-UHFFFAOYSA-N 394.430 5.503 30 40 GKEB Cc1nn2c(c1-c1ccc(F)cc1)NC1=C(C(=O)C[C@@H](C)C1)[C@@H]2c1ccccc1 14163745 BQZFEPXVQWSTGD-PSLXWICFSA-N 387.458 5.266 30 40 GKEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2cccs2)cc1 20745459 JKWPECDRTOODDB-SPLOXXLWSA-N 392.480 5.011 30 40 GKEB O=C(/C=C/c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12)c1ccc(Cl)cc1 33414711 FJAQAXXWNWGELR-BUHFOSPRSA-N 392.285 7.038 30 40 GKEB CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1cccc(Cl)c1 44858695 BKYBLPSHHUBHNL-UHFFFAOYSA-N 384.903 5.740 30 40 GKEB N#Cc1ccsc1NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1F 58263841 FEQADCMVXXXUQM-UHFFFAOYSA-N 390.361 5.697 30 40 GKEB CCCCCCCCC(=O)Nc1ccc(Br)cc1Br 97944220 PHGMDZJKEHMTFA-UHFFFAOYSA-N 391.147 5.901 30 40 GKEB O=C1c2ccccc2/C(=N/c2ccc3cccnc3c2)[C@@H]1c1ccc(Cl)cc1 103877872 PGYBSTZBPBYHBS-PCRNYRQLSA-N 382.850 5.989 30 40 GKEB CCCCCCCCCCCCNC(=S)N/N=C\c1ccc([N+](=O)[O-])cc1 104373397 TWJRLEDTLXGCRW-XLNRJJMWSA-N 392.569 5.314 30 40 GKEB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](C#N)CC[C@]4(C)[C@H]3CC[C@@]21C 118932740 IPBLIUKTZDRWCD-ICHHFUSPSA-N 395.675 8.168 30 40 GKEB C=CCSc1ccccc1C(=O)N[C@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 260592314 SSGQRRSVAKQLHJ-RBUKOAKNSA-N 394.584 5.692 30 40 GKEB COC1(O[C@@H]2CC[C@@H]3[C@@H]4CCC5=CC(=O)CC[C@@H]5[C@@H]4CC[C@]23C)CCCCC1 263604976 PDQOGUSADHBBIM-ZQHAHENHSA-N 386.576 5.820 30 40 GKEB O=[N+]([O-])c1cccc(CO/N=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)c1 408594665 UQGLNWWSXJZZMW-FBHDLOMBSA-N 391.210 5.712 30 40 GKEB C[C@@H](NC(=O)COc1ccc(/C=N\c2cccc(Cl)c2)cc1)c1ccccc1 408801846 VWYKVYHJOWDHHX-WZJLVRHISA-N 392.886 5.347 30 40 GKEB C[C@H]1CN(C(=O)Nc2cccc(Cl)c2)/C(=N/c2ccccc2Cl)S1 721893 TUONMUGIBGMEPN-ASYXDDPXSA-N 380.300 5.650 30 40 GKEB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1sc2c(c1C#N)CCCC2 831801 SESQMGWQCSDLAE-JTQLQIEISA-N 395.311 5.211 30 40 GKEB COc1ccc(/N=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)cc1 3243205 SBLIHOVFGGIGKX-WGOQTCKBSA-N 393.446 6.045 30 40 GKEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccco2)cc1 4074978 TTXPQQKLSIZVJF-UPCLLVRISA-N 386.451 5.268 30 40 GKEB C=CCn1c(SCc2cccc(Cl)c2)nnc1-c1ccc(C(C)(C)C)cc1 5478532 XWKYRYMFVMHFMP-UHFFFAOYSA-N 397.975 6.374 30 40 GKEB Cc1ccc(C)c(/N=C/c2ccccc2OCc2ccc(Br)cc2)c1 8368188 CILPIXUBCOKSJL-ZVHZXABRSA-N 394.312 6.396 30 40 GKEB C=CCOc1c(Cl)cc(/C=N/NCc2ccccc2Cl)cc1OCC 8811942 QQITZTQAQYWRCC-WSDLNYQXSA-N 379.287 5.081 30 40 GKEB CCOc1ccc(/C=N/c2ccc(/C=C(/C)C(=O)OCCC(C)C)cc2)cc1 17917632 XUALOKRPDKNKGC-LUWGDHOESA-N 379.500 5.829 30 40 GKEB O=C1/C(=C2\Sc3ccc4ccccc4c3C2=O)Sc2ccc3ccccc3c21 31302827 RNJIWICOCATEFH-WCWDXBQESA-N 396.492 6.482 30 40 GKEB O=C(Oc1ccccc1/C=N/Cc1ccco1)c1sc2ccccc2c1Cl 59500724 LNZBSERRTXZRSW-FSJBWODESA-N 395.867 5.986 30 40 GKEB CCCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)c(C#N)c1 225679098 UBVXRHQLDJQKTK-UHFFFAOYSA-N 376.500 5.496 30 40 GKEB COc1cc(F)c(Oc2ccccc2)cc1/C=N/OCc1cccc([N+](=O)[O-])c1 408593649 QTGYTFHTEOQODX-YDZHTSKRSA-N 396.374 5.086 30 40 GKEB COc1ccc(-c2ccc(/C=C3/Sc4ccccc4C3=O)o2)c([N+](=O)[O-])c1 833301 SACRILLVUKWISK-YBFXNURJSA-N 379.393 5.193 30 40 GKEB COc1ccc(/C=N/CC[C@@H](c2ccccc2OC)[C@@H]2CCOC(C)(C)C2)cc1 4027010 WUVVKZOGORTHGC-WSWZXSTISA-N 395.543 5.502 30 40 GKEB biogenic Cc1ccc(C(=O)CC#CCSc2nnc(-c3cccc4ccccc34)o2)cc1 4776395 PMNUVEUGCRVBIE-UHFFFAOYSA-N 398.487 5.567 30 40 GKEB CCC[C@H]1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2ccccc2C)C1=O 5093724 VDTVXPWZRHCESD-VTCXCXIKSA-N 393.556 5.246 30 40 GKEB CCCCNc1c(Cc2ccc(C)cc2)c(C)c(C#N)c2nc3ccccc3n12 6160081 OKYOUSZSPKCEDJ-UHFFFAOYSA-N 382.511 5.779 30 40 GKEB O=C(/C(=C/c1ccc2c(c1)OCCO2)c1nc2ccccc2s1)c1ccccc1 6227473 WNLOGQNAMVPZJH-JXAWBTAJSA-N 399.471 5.491 30 40 GKEB CCOc1ccc(/N=C/c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)cc1 6962559 YAKJUWVENXWUTH-PCLIKHOPSA-N 388.467 5.162 30 40 GKEB N#CCOc1ccc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1 7097070 OEYUZRAQORMCMQ-FXSPECFOSA-N 378.475 6.082 30 40 GKEB CCc1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)cc1 8084388 PWBTWPIIEWCNEM-AFUMVMLFSA-N 384.306 6.885 30 40 GKEB CCc1ccc(/N=C/c2cc(Cl)ccc2OS(=O)(=O)c2ccccc2)cc1 8084581 ASCDHZDYBVFWJE-HZHRSRAPSA-N 399.899 5.421 30 40 GKEB C=CCn1c(SCc2cccc3ccccc23)nc2c([nH]c3ccccc32)c1=O 16890322 LHVMKCFOOCFATC-UHFFFAOYSA-N 397.503 5.509 30 40 GKEB N#CCSc1nc2c(c(-c3cccs3)c1C#N)CC/C2=C\c1cccs1 28295982 MNTZSAMDZHGNBB-ACCUITESSA-N 391.546 5.846 30 40 GKEB COc1ccc(/C=N\c2ccc(/N=C/c3ccc(OC)cc3)cc2Cl)cc1 96593001 KWCWSEUAQYYHCC-LUWDBDBNSA-N 378.859 5.858 30 40 GKEB CCCCCCCCCCCC(=O)O[C@H](C)C(=O)NC(C)(C)CC(C)(C)C 100302529 NEDCSNDIXOFJGV-LJQANCHMSA-N 383.617 6.170 30 40 GKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc4ccccc4c3)c2C#N)C1 408628836 CTRLPHNLMWSVLL-SFHVURJKSA-N 388.536 6.176 30 40 GKEB Cc1cccc(/N=C/c2ccc(OCc3cccc4ccccc34)c(Cl)c2)c1C 409208011 AEPZSYPSHURXRK-LQKURTRISA-N 399.921 7.440 30 40 GKEB N#Cc1c(NC(=O)/C=C/c2ccc(Cl)cc2Cl)sc2c1CCCC2 1932431 HVGVXTCYSSLJKC-SOFGYWHQSA-N 377.296 5.457 30 40 GKEB CCN1c2ccccc2C=C(c2ccc3ccccc3n2)[C@@H]1C#Cc1ccccc1 4043708 HUARWLYNUUIUIX-NDEPHWFRSA-N 386.498 6.036 30 40 GKEB COc1ccccc1-n1cnc2cc(/N=C/c3c(O)ccc4ccccc34)ccc21 4608218 POSJIMZXYPJRHP-CVKSISIWSA-N 393.446 5.644 30 40 GKEB Cc1ccc2sc(N(Cc3ccccn3)C(=O)c3ccc(C#N)cc3)nc2c1C 5265419 IPDVBFQRYBTNMC-UHFFFAOYSA-N 398.491 5.027 30 40 GKEB CC1(C)CC2=C[C@]3(C)CC(C)(C)C[C@]4(C3)S/C(=N/c3ccccc3)NC(=C24)C1 5424583 WGZZZYOQQKPNIG-JWQCQUIFSA-N 392.612 6.980 30 40 GKEB CC(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 5825418 ZXZZPGIDEQSVKF-UCQKPKSFSA-N 384.431 5.531 30 40 GKEB COc1ccccc1[C@H]1Nc2nc3ccccc3n2C(C)=C1C(=O)c1ccccc1 16606919 MMVIPDNRVYQFCO-HSZRJFAPSA-N 395.462 5.326 30 40 GKEB CCCCCCCCCCCCNC(=O)C(=O)NCc1ccc(C(C)C)cc1 408707542 OFKAVUIDICVAEF-UHFFFAOYSA-N 388.596 5.463 30 40 GKEB Cc1cc(/C=N/c2ccc3c(c2)OCO3)c(C)n1-c1ccccc1Br 408914606 RDPAAKZCMZZFIB-SSDVNMTOSA-N 397.272 5.336 30 40 GKEB Clc1ccc(Sc2ccc(/C=N\c3ccc4ccccc4c3)s2)cc1 409016993 CSYAZDRPZBLQOF-UCQKPKSFSA-N 379.937 7.457 30 40 GKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSc3ccccc3)c2C#N)C1 409109491 FYONHMOHCZMOTQ-AWEZNQCLSA-N 384.570 5.502 30 40 GKEB C=CCOc1c(Cl)cc(/C=C2\C(=O)N(CCC)c3ccccc32)cc1OC 409119142 RLLNOPQDLPKVMK-ATVHPVEESA-N 383.875 5.211 30 40 GKEB COc1ccc(C(=O)CSc2nc3c(c(CC(C)C)c2C#N)CCCC3)cc1 841868 USCXXYDQEPBHLK-UHFFFAOYSA-N 394.540 5.014 30 40 GKEB CCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 2062924 NRMPNBLBWXEVOH-UHFFFAOYSA-N 385.504 5.133 30 40 GKEB CCc1ccc(/N=C2/NC(=O)/C(=C/c3cc(Cl)c(O)c(Cl)c3)S2)cc1 5529335 IVJIHNOZKVJPEN-DHDCSXOGSA-N 393.295 5.153 30 40 GKEB C=CCSc1nnc2c3c(ncn12)[C@H]1C2=C(CCC2)C(CCCC)=N[C@@H]1S3 6309889 RTFJTRXIXUBGLF-DNVCBOLYSA-N 397.573 5.043 30 40 GKEB Cc1cc(O)c(C(C)C)cc1/N=C1\NC(=O)S\C1=C/c1ccc(Cl)cc1 6584103 RZBWUHMYWSEBLV-NVMNQCDNSA-N 386.904 6.005 30 40 GKEB CCOc1ccc(-c2csc(/C(C#N)=N\Nc3ccc(C)cc3C)n2)cc1 17314931 NTIJJVDRGMABJL-PLRJNAJWSA-N 376.485 5.165 30 40 GKEB O=C(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)cc1 33376718 XVAHEUCWKVLOHU-BHQIHCQQSA-N 378.699 6.274 30 40 GKEB C=CCSc1ncc(-c2ccc(Br)cc2)n1-c1ccc(C)cc1 44085560 FJCUOYPKMSCNSZ-UHFFFAOYSA-N 385.330 5.888 30 40 GKEB Cc1ccc(/N=C/c2c(SCc3ccccc3)nc3c(C)cccn3c2=O)cc1 102944572 NDHDGEATWMVOLU-MFKUBSTISA-N 399.519 5.354 30 40 GKEB Cc1[nH]c2ccccc2c1/C=N\Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F 408730012 DDELVULYATUXKR-HGBQSQDTSA-N 389.274 5.498 30 40 GKEB C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(F)cc2)S/C1=N\c1ccccc1 408847529 NIPGJSLXMAQHAR-DGVHBWFKSA-N 394.515 6.008 30 40 GKEB C=CCc1cc(CNc2ccc(C)c(C)c2)cc(OC)c1OCc1ccccc1 409121558 WQNORICXNKDNCD-UHFFFAOYSA-N 387.523 6.232 30 40 GKEB CCOc1ccc2ccccc2c1/C=C1/S/C(=N\C(C)C)N(C(C)C)C1=O 409200666 JLSCDFDYQNEWBN-DYEBMTOPSA-N 382.529 5.328 30 40 GKEB CCN1C(=O)/C(=C\c2cc(Cl)ccc2OC)S/C1=N/c1ccc(F)cc1 409251292 URSLENOZMIFGJQ-CKAZZZDQSA-N 390.867 5.112 30 40 GKEB FC(F)(F)CNc1ccc(OCCC(F)(C(F)(F)F)C(F)(F)F)cc1 1083811722 INDKDMSZFRKXAF-UHFFFAOYSA-N 387.217 5.263 30 40 GKEB COc1ccc(Cn2c(N)c(C#N)c(-c3ccccc3)c2-c2ccccc2)cc1 1077610 FPSHPZOYTSHELG-UHFFFAOYSA-N 379.463 5.333 30 40 GKEB CC(=O)O[C@@H]1CC[C@H]2[C@@H]3C[C@@H](C(F)(F)F)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 1687746 UJAUIJIBACQMCG-SBXZOHCASA-N 398.465 5.238 30 40 GKEB N#Cc1ccc(C(=O)Nc2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 4176522 SFBPSXHHMXLTOL-UHFFFAOYSA-N 397.459 5.726 30 40 GKEB CCOc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 5475535 QPRWVZGGTABDGQ-HNNXBMFYSA-N 382.529 5.422 30 40 GKEB CCCC(=O)Nc1ccc(Cl)c(/N=C/c2cc(Cl)cc(OC)c2O)c1 6263825 RAMQDQZSBCYFMU-UFFVCSGVSA-N 381.259 5.197 30 40 GKEB CCCCOc1ccc(C(=O)/C(=C/c2ccncc2)c2nc3ccccc3o2)cc1 6710050 KXYSWXHOYCSAMX-FXBPSFAMSA-N 398.462 5.825 30 40 GKEB CN(Cc1ccccc1)c1oc(-c2ccc(COc3ccccc3)o2)nc1C#N 12418884 JTQAFCNJZUVGOG-UHFFFAOYSA-N 385.423 5.022 30 40 GKEB Cc1nn2c(c1-c1ccc(F)cc1)NC1=C(C(=O)C[C@@H](C)C1)[C@H]2c1ccccc1 14163738 BQZFEPXVQWSTGD-LFVRLGFBSA-N 387.458 5.266 30 40 GKEB CCCCCCCc1ccc(OC(=O)c2ccc(Br)cc2)cc1 98045077 PALHSVQJXJQMED-UHFFFAOYSA-N 375.306 6.181 30 40 GKEB CCCCCCCCCCCC(=O)OCCOP(=O)(OCC)OCC 104324433 ZIJALXLWMGRBPP-UHFFFAOYSA-N 380.462 5.648 30 40 GKEB Cc1ccc(/C=N/c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)cc1 408722560 KORNNPYPAXDPQE-MFKUBSTISA-N 388.923 7.190 30 40 GKEB COc1cccc(/C=N/c2cc(-c3ccc(C)cc3)nn2-c2ccccc2)c1OC 408737715 VTGBUDAUSGSWTK-YZSQISJMSA-N 397.478 5.616 30 40 GKEB COc1ccccc1/N=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 408806456 NFUKIFQTFLGYNJ-OYKKKHCWSA-N 394.858 5.117 30 40 GKEB N#Cc1ccc(-c2ccc(/C=N\c3cccc(I)c3)o2)cc1 409018769 UJGXOCMHBXKRGJ-MTJSOVHGSA-N 398.203 5.173 30 40 GKEB Fc1ccccc1COc1cccc(/C=N/Nc2ccc(C(F)(F)F)cn2)c1 409096550 LJVQIWCCDGEFNI-KBKYJPHKSA-N 389.352 5.265 30 40 GKEB C#CCOc1c(Br)cc(CNc2ccc(CC)cc2)cc1OCC 409109980 OXHPXZMXRSJTPF-UHFFFAOYSA-N 388.305 5.034 30 40 GKEB CCCN1C2=C(C(=O)CCC2)[C@H](c2ccc(F)cc2)C2=C1c1ccccc1C2=O 809903 JCMQRYJFBKDEJP-NRFANRHFSA-N 387.454 5.250 30 40 GKEB Cc1cc2c(cc1C)N[C@@H](c1ccc([N+](=O)[O-])s1)C1=C(CC(C)(C)CC1=O)N2 1067233 YQUXWNJXUAXPHQ-FQEVSTJZSA-N 397.500 5.495 30 40 GKEB C/C(=N\OCc1ccc(Cl)cc1Cl)[C@@H]1C[C@H]1c1ccc(C(C)C)cc1 4084781 NKJQOSOOQQJMDY-NMGFGJDYSA-N 376.327 6.813 30 40 GKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1cc(Cl)cc(Cl)c1O 5943825 VZICKTHQKGUPOQ-CGOBSMCZSA-N 394.136 5.072 30 40 GKEB O=C(/C=C/c1cccnc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O 12497029 UTIWQCCMBJPWLT-DHZHZOJOSA-N 386.838 5.140 30 40 GKEB N#Cc1nc(-c2ccc(OCc3ccc(Cl)cc3)cc2)oc1N1CCCC1 13831731 YUFYUZXGAQWGES-UHFFFAOYSA-N 379.847 5.046 30 40 GKEB Clc1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 19682389 FAPKWGFGBLBQRP-YZSQISJMSA-N 387.914 5.062 30 40 GKEB Cc1nn(-c2ccccc2)c(C)c1/C=N\Nc1c(Cl)cc(Cl)cc1Cl 33498321 VZQMCZZZQMHMFX-YVNNLAQVSA-N 393.705 5.895 30 40 GKEB CCCCCCCOc1ccc(C(=O)Nc2ccc(N(CC)CC)cc2)cc1 100152993 HFUJRCDUUOENGU-UHFFFAOYSA-N 382.548 6.134 30 40 GKEB CCCCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1ccc(F)cc1 102597612 XKPCQJTUBWZDMF-JBCNATCCSA-N 395.474 5.136 30 40 GKEB CCCCCCCCCCCCCCCCC/C=C/C(F)(F)C(F)(F)F 103531015 AHHSLPRNHWQNFC-VHEBQXMUSA-N 384.517 9.002 30 40 GKEB N#Cc1ccccc1CO/N=C/c1ccc(OCc2ccccc2Cl)cc1 408590627 HHIHOGBRIAIKNK-AFUMVMLFSA-N 376.843 5.341 30 40 GKEB C=CCn1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)c2ccccc21 2144115 GMXFCLIHNUABLO-UDWIEESQSA-N 392.455 5.203 30 40 GKEB Fc1ccccc1/C=N/c1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1 3099221 YOZABWCCFVMEAA-BHGWPJFGSA-N 385.225 6.691 30 40 GKEB CCc1cccc(CC)c1N/C(S)=C(/C(=O)c1ccccc1)[n+]1ccccc1 3294357 SNSJDDRVVCVCKJ-UHFFFAOYSA-O 389.544 5.150 30 40 GKEB N#Cc1ccc(NC(=O)c2oc3ccccc3c2CSCc2ccccc2)cc1 3351873 HOEAUOZCYWIVMW-UHFFFAOYSA-N 398.487 5.990 30 40 GKEB O=C(Nc1cccc(Cl)c1)c1c(/N=C/c2ccccc2)sc2c1CCCC2 4554186 OBZDMEOYAOWPIY-ZVHZXABRSA-N 394.927 6.283 30 40 GKEB Cc1ccc([C@@H]2Sc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 4747084 JKPNFIOHOVIGIE-FNZWTVRRSA-N 397.543 6.655 30 40 GKEB O=C1/C(=C/c2ccncc2)Oc2cc(OCc3c(Cl)cccc3Cl)ccc21 5192542 RXLDFXRPNXERJQ-JMIUGGIZSA-N 398.245 5.584 30 40 GKEB C=C1[C@@H](C(=O)Nc2ccc3ccccc3c2)[C@@H]1C(=O)Nc1ccc2ccccc2c1 5446846 FWDGYDQSLQDGLW-DNQXCXABSA-N 392.458 5.372 30 40 GKEB c1ccc(-c2c(-c3ccccc3)n(C[C@@H]3CO3)c3c2ccc2ccccc23)cc1 5660619 QBGSYRNMDJJQCY-JOCHJYFZSA-N 375.471 6.527 30 40 GKEB Cc1cc(C(F)(F)F)c(C#N)c(SCc2ccc(Cl)cc2Cl)n1 9344620 CCRNOQJAZLBXKJ-UHFFFAOYSA-N 377.218 5.880 30 40 GKEB COc1ccccc1CN/N=C/c1ccccc1OCc1ccc(Cl)cc1 20761218 ZLQNXNGTMFKQML-MFKUBSTISA-N 380.875 5.051 30 40 GKEB Cc1nn(-c2ccccc2)c(CSC2=Nc3ccccc3CS2)c1C#N 23199741 ZZXTXKJVXHIWER-UHFFFAOYSA-N 376.510 5.220 30 40 GKEB O=C1/C(=C\c2cccs2)CN(Cc2ccccc2)C/C1=C\c1cccs1 33246997 VEWNBLZJGWFBIR-MGYAYREDSA-N 377.534 5.362 30 40 GKEB CN(Cc1cccc(C#N)c1)C(=O)CSC(c1ccccc1)c1ccccc1 36397922 FOPKCSBHSNPPGW-UHFFFAOYSA-N 386.520 5.039 30 40 GKEB C=CCN(C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C)c1ccccc1 58642461 IMAQWQJASAJHBJ-UHFFFAOYSA-N 385.389 5.032 30 40 GKEB CCOc1ccc(/N=C2/S/C(=C\c3ccc(Cl)cc3)C(=O)N2CC)cc1 97464897 HGAXWNXBKWZTNH-YISMEOAQSA-N 386.904 5.363 30 40 GKEB CCCCC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(C#N)c(F)c3)cc2)CC1 100021284 JHWDKPIJNPJWBS-KDURUIRLSA-N 393.502 6.771 30 40 GKEB Cc1ccc(N/C=C/C(=O)[C@@H](C)Oc2ccc(-c3ccccc3)c(F)c2)cc1 100096481 FZXVYRIIXGQFBE-LGHUBQEGSA-N 375.443 5.763 30 40 GKEB Cc1cc(C)cc(-n2c(C)cc(/C=N/c3ccc(Cl)c(C(=O)O)c3)c2C)c1 100116614 VJAOFPZREKGCMH-WYMPLXKRSA-N 380.875 5.813 30 40 GKEB Cc1cc(Br)ccc1/N=C/c1cc(C)n(-c2ccc(F)cc2)c1C 408738105 ODXWIPHIOOBXAO-FSJBWODESA-N 385.280 6.055 30 40 GKEB Cc1ccc(Sc2oc(/C=N\c3cccc(O)c3)cc2Br)cc1 408910513 KRXBCHADAMGHMR-JAIQZWGSSA-N 388.286 5.958 30 40 GKEB N#Cc1c(SCC(=O)c2ccccc2)nc2c(c1-c1ccccc1)CCCC2 1278126 IIDHOSFJVMJIHP-UHFFFAOYSA-N 384.504 5.474 30 40 GKEB O=C1C2=C(OC3=C(C(=O)c4ccccc43)C2c2cccc(Cl)c2)c2ccccc21 3062886 CRRWIQPHEHTAKI-UHFFFAOYSA-N 396.829 5.669 30 40 GKEB COc1ccc(/C=N/c2cc(-c3ccc(C)cc3)nn2-c2ccccc2)cc1OC 27570050 DQOVBQOBCQJLCD-YZSQISJMSA-N 397.478 5.616 30 40 GKEB CCc1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 33377771 ITEJSTUOBXWBPL-UFFVCSGVSA-N 376.312 6.125 30 40 GKEB CCCN1C(=O)/C(=C\c2ccc(OCC(C)C)cc2)S/C1=N\c1ccccc1 408907018 KZKFDCNBOHBLDC-NVZLDUMVSA-N 394.540 5.735 30 40 GKEB O=[N+]([O-])c1ccc(N/N=C\c2ccccc2OCc2ccc3ccccc3c2)nc1 408914030 XDAIHPHNMYEBKL-QFEZKATASA-N 398.422 5.168 30 40 GKEB CCc1ccc(/N=C\c2cccc(OCc3ccc(Br)cc3)c2)cc1 409209719 IADVHOHBFUANOQ-IWIPYMOSSA-N 394.312 6.341 30 40 GKEB Cc1ccc(Cl)cc1/N=C/c1cc(Cl)ccc1OCc1cccc(F)c1 409211523 NZVRTCJXXAWEPY-BRJLIKDPSA-N 388.269 6.771 30 40 GKEB COc1cccc(/C=N/c2ccc(-c3nc4cc(Cl)ccc4o3)cc2)c1O 802256 MLLRZVQGIBONJF-FSJBWODESA-N 378.815 5.613 30 40 GKEB C=CCn1c(SCc2c(F)cccc2F)nnc1-c1cccc(Cl)c1 2447773 CXHGHOYRUZFNOE-UHFFFAOYSA-N 377.847 5.355 30 40 GKEB Clc1ccc(-c2nc(N/N=C/c3ccccc3)c3ccccc3n2)cc1Cl 4828673 FXRJUDQBLLGHHL-ZMOGYAJESA-N 393.277 6.050 30 40 GKEB CCc1ccc(/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 8084704 NRUBATUQYDCBRX-ZVHZXABRSA-N 394.858 6.140 30 40 GKEB CCOc1ccccc1/C=C1\Oc2cc(OC/C=C/c3ccccc3)ccc2C1=O 9485999 GZGMZNSUTDXGMG-JZBKTOOTSA-N 398.458 5.794 30 40 GKEB CC(=O)N(c1nc(/C=C/C(=O)c2ccc(C)cc2)cs1)c1cccc(C)c1C 12937546 UDXLGJICACNJFU-OUKQBFOZSA-N 390.508 5.649 30 40 GKEB N#C[C@H](C(=O)c1cc2c(s1)-c1ccccc1CC2)c1ccc(C(F)(F)F)cn1 84576824 KZTVVVBRQLTXSG-INIZCTEOSA-N 398.409 5.418 30 40 GKEB COc1ccc(/C=N/CC[C@@H](c2ccc(F)cc2)[C@@H]2CCOC(C)(C)C2)cc1 95346049 CNGLEPKVVNXFJC-KGOJFESUSA-N 383.507 5.632 30 40 GKEB O=C1/C(=N/Nc2ccc3ccccc3c2)C(c2ccccc2)=NN1c1ccccc1 100005836 JUYLOHLGNDISFM-SOYKGTTHSA-N 390.446 5.059 30 40 GKEB Brc1ccc(-c2csc(N/N=C3/CCCc4ccccc43)n2)cc1 100055308 LTXQYKRWEKHJQY-XLNRJJMWSA-N 398.329 5.725 30 40 GKEB CCCCCCCOc1ccccc1/C=C1\N=C(c2ccc(C)cc2)OC1=O 105649235 ZSBVIKHKOOCIPX-FXBPSFAMSA-N 377.484 5.689 30 40 GKEB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@@]2(O)C#Cc1ccccc1 245241140 XROIWEWUVSAKIJ-IWQSBPKASA-N 390.567 5.093 30 40 GKEB C=CCOc1ccc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@@H]32)cc1 408736464 UVARSRAIESOXRB-LQWHRVPQSA-N 382.301 5.840 30 40 GKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(C(C)(C)C)c3C)S2)cc1 408950992 HELIKGKZUUEFSW-CPNJWEJPSA-N 397.544 5.150 30 40 GKEB C=CCc1cc(CNc2ccccc2C)cc(OC)c1OCc1ccc(C)cc1 409111086 AGVGYJGOIMWEEO-UHFFFAOYSA-N 387.523 6.232 30 40 GKEB Cc1ccc(COc2ccc(/C=N/c3ccc(C)cc3)cc2Br)cc1 409215932 GREFSYDANDJNAI-ZVHZXABRSA-N 394.312 6.396 30 40 GKEB COc1cc(N2CCCCC2)ccc1/C=N\c1ccc(Br)cc1C 409230217 CLZXLMIILOIBAE-HMAPJEAMSA-N 387.321 5.507 30 40 GKEB N#Cc1c(SCc2ccc(Cl)cc2)nc(-c2ccccc2)c2c1CCCC2 2302808 LGSQNIUKBRXNLN-UHFFFAOYSA-N 390.939 6.445 30 40 GKEB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/Nc1ccc(Cl)c(Cl)c1 4921998 MHJROUYQHGWUQK-UFFVCSGVSA-N 379.678 5.587 30 40 GKEB COc1ccc(/C=C/C(=O)c2sc(Nc3ccc([N+](=O)[O-])cc3)nc2C)cc1 5552246 OHGLCSVSLZEULT-LFYBBSHMSA-N 395.440 5.008 30 40 GKEB CCOc1ccc(C(=O)/C(=C/c2ccc(C)cc2)c2nc3ccccc3o2)cc1 5872851 BBPBSGWBOORDDN-PGMHBOJBSA-N 383.447 5.958 30 40 GKEB Cc1ccc(/N=C/c2c(OCc3cccc(Cl)c3)ccc3ccccc23)c(C)c1 8368466 ZSABSIHKOSPIFH-LQKURTRISA-N 399.921 7.440 30 40 GKEB O=C1CCCC2=C1[C@H](c1cccc(Cl)c1Cl)c1cc3c(cc1N2)OCO3 18196709 MKYMRBSWXYCUIJ-GOSISDBHSA-N 388.250 5.287 30 40 GKEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cccc(/C=C/c2ccccn2)c1 20011997 MZNLLLVBICXRPW-ZHACJKMWSA-N 394.434 5.068 30 40 GKEB O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 59386220 VNYDDEDMNRCFBR-ZVHZXABRSA-N 376.456 5.519 30 40 GKEB COC(=O)c1ccc(/N=C/c2c(C)nn(-c3cccc(Cl)c3)c2Cl)cc1 102957357 SBRDRQLMZBIXMK-SSDVNMTOSA-N 388.254 5.025 30 40 GKEB Cc1cc2c(cc1C=C1C(=O)c3ccccc3C1=O)[C@H](C)CC(C)(C)N2C(C)C 223600115 VJDWJNDSUHCZMH-QGZVFWFLSA-N 387.523 5.958 30 40 GKEB N#Cc1ccc2ccn(C(=O)c3cccc4c(Br)cccc34)c2c1 226368303 DGCKOYKZUHOIBQ-UHFFFAOYSA-N 375.225 5.117 30 40 GKEB S=c1n(/N=C/c2ccc(Cl)cc2Cl)cnn1Cc1ccccc1Cl 3197429 JHJDGNPZRJADES-DNTJNYDQSA-N 397.718 5.305 30 40 GKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3noc4c3CCCCC4)c2C#N)C1 4881303 LFJDGOOGHKSHIG-ZDUSSCGKSA-N 397.544 5.280 30 40 GKEB COc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccco1 4973576 FEUJNMKRKRKATF-MYYSRTQBSA-N 386.451 5.268 30 40 GKEB Cc1ccc(/N=C(/Nc2ccc(C)cc2)c2ccc(Br)cc2)cc1 5588195 YWKOIKUXOFJTPB-UHFFFAOYSA-N 379.301 6.256 30 40 GKEB N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc2ccccc2n1 6589829 RBGIYBPQYWOOSN-UHFFFAOYSA-N 381.460 5.510 30 40 GKEB CCCOc1c(Br)cc(Br)cc1/C=N/c1ccccc1 6880653 WBNFHSNPJKWFOB-YBFXNURJSA-N 397.110 5.751 30 40 GKEB CC1(C)Cc2c(C#N)c(NCc3ccccc3)nc(-c3ccccc3)c2CS1 13764255 SAURVVCPRXMUDB-UHFFFAOYSA-N 385.536 5.800 30 40 GKEB CC(C)CC[C@@]1(CC/N=C/c2ccc(OC(C)C)cc2)CCO[C@H](C(C)C)C1 100759183 HLDDUVJWECTGLW-SNTUZSNZSA-N 387.608 6.540 30 40 GKEB biogenic C=C(C)[C@@H]1CC[C@@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CCC(=O)C[C@H]5CC[C@@]43C)[C@@H]12 253501177 JMNNBGGLFDJNBE-RMUDKMSPSA-N 396.659 7.597 30 40 GKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(Cl)cc3Cl)S2)cc1Cl 408738969 QSAYPFVRXHUCIX-UUASQNMZSA-N 397.714 5.847 30 40 GKEB O=C1/C(=C/c2ccc(Sc3nc4ccccc4s3)o2)Sc2ccccc21 408993368 VUHSOKDCWPHMAL-BOPFTXTBSA-N 393.514 6.370 30 40 GKEB Cc1ccc(/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1C 409202169 PIXIYSPZAVHELJ-ZMOGYAJESA-N 394.858 6.195 30 40 GKEB CC1=C(C(=O)c2ccccc2)[C@H](c2cccc(C)c2)n2c(nc3ccccc32)N1 1431395 GLOXFZMAFBALMA-QHCPKHFHSA-N 379.463 5.517 30 40 GKEB Oc1c(Br)cc2oc3c(c2c1/C=N/Cc1ccccc1)CCCC3 2292480 IJYSGTJNBYVJOD-WSDLNYQXSA-N 384.273 5.399 30 40 GKEB Cc1cc(Cl)ccc1/N=C/c1c(C)c(Cl)c(C)c(Br)c1O 3114079 IHDWBJPXMXAYHO-IFRROFPPSA-N 387.104 6.137 30 40 GKEB O=C1/C(=C/c2ccc(OCc3c(F)cccc3Cl)cc2)Sc2ccccc21 4156745 FSLSXEVIHKAOKE-MTJSOVHGSA-N 396.870 6.388 30 40 GKEB C[C@@H]1CCc2c(sc(/N=C/c3ccc(F)cc3)c2C(=O)Nc2ccccc2)C1 4553651 FLKYGQNRTDLNLT-PVLQNKMRSA-N 392.499 6.015 30 40 GKEB C=C(C)CSc1nc2c(c(=O)n1CC(C)C)C1(CCCC1)Cc1ccccc1-2 5066925 SWFGMYIUTSFYCU-UHFFFAOYSA-N 394.584 5.602 30 40 GKEB CCN(CC)c1ccc(/N=C/c2c(O)c3ccc4ccccc4c3oc2=O)cc1 5408373 UYACPASQQPKCDK-MFKUBSTISA-N 386.451 5.249 30 40 GKEB N#C[C@@H](c1ccc([N+](=O)[O-])cc1)N1N=C(c2ccccc2)C[C@H]1c1ccccc1 6530086 HCYFSMAEWOXBOE-GOTSBHOMSA-N 382.423 5.011 30 40 GKEB C=CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)Nc1cccc2ccccc12 20417629 SCJAXTOWNSKVNQ-UHFFFAOYSA-N 398.466 5.418 30 40 GKEB Cc1ccc(C(=O)/C=C\Sc2c(Cl)c(Cl)nc(Cl)c2Cl)cc1 33376628 VJANAEOFJRSBFZ-SREVYHEPSA-N 393.122 6.492 30 40 GKEB CCCCCCCCOc1ccccc1-c1nnc(-c2cc(C)ccc2C)o1 68569046 VHJWKCGBJNIJOO-UHFFFAOYSA-N 378.516 6.760 30 40 GKEB biogenic C=CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)cc1C(F)(F)F 225956632 NQASASDCABCXHT-UHFFFAOYSA-N 395.808 5.594 30 40 GKEB CCOc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)ccc1O 409091881 SVUHMFMOJZZYJN-MMTYYTLLSA-N 382.529 5.626 30 40 GKEB CCCCCCCCCCCCCCCCC/C=C\C(F)(F)C(F)(F)F 575330233 AHHSLPRNHWQNFC-HNENSFHCSA-N 384.517 9.002 30 40 GKEB Cc1ccc([C@H](C#N)c2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)cc1 1389500 YGKJCHLQHUILMM-ZDUSSCGKSA-N 395.306 5.631 30 40 GKEB COc1cccc(Nc2c(CCC(C)C)c(C)c(C#N)c3nc4ccccc4n23)c1 1467941 ZMULJIGOXHIRGG-UHFFFAOYSA-N 398.510 6.008 30 40 GKEB C=CCOc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 8494548 AYGUJSBZCUPILT-UHFFFAOYSA-N 391.854 5.388 30 40 GKEB O=C(Oc1ccccc1/C=C1\Sc2ccccc2C1=O)c1cccc(Cl)c1 13773858 CWKQCIOYCTWPFC-MOSHPQCFSA-N 392.863 5.889 30 40 GKEB Cc1ccc(CSc2nc3c(c(-c4cccs4)c2C#N)CN(C)CC3)cc1 20083729 LCNDFZZQJKCFEU-UHFFFAOYSA-N 391.565 5.270 30 40 GKEB Brc1cccc(/N=C/c2cc(Br)c(N3CCCC3)o2)c1 59250508 VKDQTWLAHRPKSQ-VCHYOVAHSA-N 398.098 5.155 30 40 GKEB CCCCCCCCOC(=O)C[N+](C)(C)CCO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 100724128 KTMOLWBNBDAXBS-ZFGGDYGUSA-N 396.636 5.198 30 40 GKEB CCOc1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1 113854128 BJGITTXPRQDZME-MFKUBSTISA-N 395.886 6.077 30 40 GKEB CCOC(=O)c1c(/N=C\c2ccc(-c3ccccc3)o2)sc2c1CCCC2 409074551 VICMDBMTGXUKMI-UCQKPKSFSA-N 379.481 5.814 30 40 GKEB C=CCOc1cccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1 409079143 KBYCYNWFTXFHPD-STPJHCLOSA-N 378.541 6.086 30 40 GKEB O=[N+]([O-])c1cccnc1N/N=C/c1ccccc1OCc1ccc2ccccc2c1 409104321 CTWXSAVERBSCCP-MFKUBSTISA-N 398.422 5.168 30 40 GKEB Cc1ccc2c(c1)C(=Nc1sc3c(c1C#N)CC[C@H](C(C)(C)C)C3)C(=O)N2 409113627 IAVHLPUVCJNYDC-ZDUSSCGKSA-N 377.513 5.152 30 40 GKEB C=CCOc1ccc(Br)cc1CNc1ccc(Cl)c(Cl)c1 409194808 MVLKGJNQHDSHSI-UHFFFAOYSA-N 387.104 5.933 30 40 GKEB CC[C@H](C)Oc1ccccc1/C=N/n1c(-c2ccccc2)nc2ccccc2c1=O 1531384925 NVSZAPITJJKWGW-WYZSWBMLSA-N 397.478 5.123 30 40 GKEB CCOc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2CC(C)(C)CC3=O)cc1 677596 BMATVWGIWQAWLK-SANMLTNESA-N 397.518 6.548 30 40 GKEB O=C(O)c1cc(-c2ccc(/C=C3\Sc4ccccc4C3=O)o2)ccc1Cl 716794 ZPWFYRKGVDZJMU-ZDLGFXPLSA-N 382.824 5.628 30 40 GKEB O=C(/C=C/Nc1ccc(Br)cc1F)c1ccc(Br)cc1 724695 FBORNYUBONKJLC-BQYQJAHWSA-N 399.057 5.159 30 40 GKEB CCN(CC)c1ccc(/C=N/c2ccc(-c3cn4ccccc4n3)cc2)c(O)c1 4674874 BASRPXSFQNCJEB-PCLIKHOPSA-N 384.483 5.304 30 40 GKEB CCCCCNc1c(Cc2ccc(C)cc2)c(C)c(C#N)c2nc3ccccc3n12 6160061 OQDOZNSMINBBQU-UHFFFAOYSA-N 396.538 6.169 30 40 GKEB O=C1C=C(Nc2ccc(Br)cc2Cl)C[C@@H](c2ccccc2)C1 6618297 JNFBAZMJOHFQGG-CYBMUJFWSA-N 376.681 5.545 30 40 GKEB COc1cc(/C=N/c2cccc(C(F)(F)F)c2)ccc1OC(=O)c1ccccc1 18120085 UFZMSRBYLWFMOS-VULFUBBASA-N 399.368 5.684 30 40 GKEB COc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccco1)C2 20274795 RQTHYXYXODOEIN-MYYSRTQBSA-N 386.451 5.268 30 40 GKEB CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2/C=C/c1ccccc1 33537265 RPBXQTCDZNIFTF-ZHACJKMWSA-N 375.512 5.206 30 40 GKEB N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1)c1nc(-c2c(F)cccc2F)cs1 67801435 OYIWMDPQYMJBHT-RBSFLKMASA-N 398.409 5.207 30 40 GKEB O/N=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 100250123 XWUJKIWEJJFRCN-WSVATBPTSA-N 375.049 5.143 30 40 GKEB c1ccc(N/N=C2/CCCC[C@@]23C[C@@H]2CCCCC2=NN3c2ccccc2)cc1 100498907 ZWMBAKDHUIYDKE-CIVYZUNOSA-N 386.543 6.224 30 40 GKEB C=CCc1cccc(/C=N/c2cccc(/C=N/c3cccc(CC=C)c3O)n2)c1O 101206793 GQIJIMVYZNYWII-GJNCCAKSSA-N 397.478 5.451 30 40 GKEB CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)c(C#N)c1 225764400 NOJBGPDDXMDXGV-UHFFFAOYSA-N 382.891 5.451 30 40 GKEB C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccccc2O)S/C1=N\c1ccccc1 408866554 HECLBORAOHEZMI-LXMMTSMGSA-N 392.524 5.575 30 40 GKEB C=CCN1C(=O)S/C(=C/c2cn(Cc3ccc(C)cc3)c3ccccc23)C1=O 409097613 MURNYMWHFYQILA-FYJGNVAPSA-N 388.492 5.220 30 40 GKEB C=CCOc1c(Br)cc(CNc2ccc(C)c(Cl)c2)cc1OC 2093571 LRMGPGIXYMCVAM-UHFFFAOYSA-N 396.712 5.596 30 40 GKEB C=CCn1c(C)cc(-c2csc(Nc3ccccc3C(F)(F)F)n2)c1C 2651986 ZCLXEKPVJCRXOE-UHFFFAOYSA-N 377.435 6.177 30 40 GKEB Cc1ccc(C(=O)/C=C/Sc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 5543381 RHXWSDCHRHKOIJ-VOTSOKGWSA-N 390.348 6.521 30 40 GKEB Cc1ccc([C@@H]2C[C@@H]2/C(=N/OC(=O)c2ccc(F)cc2)c2ccc(F)cc2)cc1 5617808 KNKPFWPHMRAHPE-MYYIXICXSA-N 391.417 5.638 30 40 GKEB CCOc1ccc(/N=C/c2cc(Br)c(OC)c(OCC)c2)cc1 6962104 YLQPKIDZODEGOY-UDWIEESQSA-N 378.266 5.006 30 40 GKEB CSc1ccc(/C=C2/CN(C)C/C(=C\c3ccc(SC)cc3)C2=O)cc1 17188331 MZWLWOCKZOXMAV-MGYAYREDSA-N 381.566 5.112 30 40 GKEB C=CCOc1ccc(/C=C2/SC(=S)N(c3ccccc3CC)C2=O)cc1 35040839 OZRUNYYHJIBNKD-XMHGGMMESA-N 381.522 5.220 30 40 GKEB CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1O 95876663 OZAVCEALUDNEKN-UHFFFAOYSA-N 390.608 7.811 30 40 GKEB Cc1ccc(-c2nc(N/N=C/c3ccccc3)sc2-c2ccccc2)cc1C 408974168 CYRNKSYZYBRFJZ-PCLIKHOPSA-N 383.520 6.540 30 40 GKEB CC1(C)CC(=O)C2=C(C1)[C@@H](c1ccccc1[N+](=O)[O-])Nc1cc3ccccc3cc12 727424 VICGYDVSIBUOFV-XMMPIXPASA-N 398.462 6.058 30 40 GKEB CCOc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCc1ccccc1F 6961616 OFRAGZCFLFZAFL-CVKSISIWSA-N 377.459 6.171 30 40 GKEB Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccc(C#N)cc4F)c3)oc2c1 16348545 MYIJBBPQAKTTHW-UHFFFAOYSA-N 385.398 5.375 30 40 GKEB CCCN1C(=O)/C(=C\c2ccc(OCC)c(OC)c2)S/C1=N/c1ccccc1 100233462 ZFKWOSBYAQXQPC-MPIQAULUSA-N 396.512 5.108 30 40 GKEB CCCCCCCC[C@@H]1O[C@@H]1CCCCCCCC(=O)N1CCN(C)CC1 104109802 NSJGDYUFCVUWFO-FCHUYYIVSA-N 380.617 5.009 30 40 GKEB C#CCN1C(=O)S/C(=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@@H]3C)C1=O 223614069 UCYUDACGLLCXOY-DEFALTHMSA-N 396.556 5.165 30 40 GKEB C=CCOc1ccccc1/C=C1\SC(=O)N(Cc2ccc(Cl)cc2)C1=O 408533965 ROYGXPGVLCJIKG-PDGQHHTCSA-N 385.872 5.141 30 40 GKEB C=CCOc1ccc(NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1 408563203 ABNMUJLPONQBQM-UHFFFAOYSA-N 389.520 6.104 30 40 GKEB C=CCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)C1=O 408967371 QDZRPAPYYAXDBC-ZHZULCJRSA-N 394.540 5.614 30 40 GKEB C#CCOc1c(Br)cc(/C=N/c2cc(Cl)ccc2C)cc1OC 409208350 AVJIPJFDMWAEQT-SRZZPIQSSA-N 392.680 5.182 30 40 GKEB CCN1C(=O)/C(=C\c2c(F)cccc2Cl)S/C1=N/c1ccc(OC)cc1 409230873 GVOJTTVURVSYPR-CKAZZZDQSA-N 390.867 5.112 30 40 GKEB O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1cccc(C(F)(F)F)c1 409283081 QJVBIKUUWAFYIM-UHFFFAOYSA-N 399.416 5.345 30 40 GKEB N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)cc1 894597 LWPUTLBLSWNHKC-UHFFFAOYSA-N 393.786 5.164 30 40 GKEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 4591280 CPNGSYBRLCPLKV-KEBDBYFISA-N 376.199 5.608 30 40 GKEB Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2)cc1 4663374 PKETZANZSOHIEC-RXFWQSSRSA-N 380.491 5.975 30 40 GKEB Cc1cc(/C=N/c2cccc(Br)c2)c(C)n1NC(=O)c1ccccc1 8334651 PAHUEPAAQFWROW-LPYMAVHISA-N 396.288 5.002 30 40 GKEB CCCCCCCCCCCCCCCCCCn1c(C)nc2ccccc21 8440027 DSADMVZAOIPUFE-UHFFFAOYSA-N 384.652 8.606 30 40 GKEB C=CC[n+]1c(-c2ccc(Cl)cc2)csc1Nc1ccc(C(=O)OCC)cc1 35023370 PAXHAZFTNSSBJA-UHFFFAOYSA-O 399.923 5.462 30 40 GKEB Cc1cc2c(cc1/C=N/c1ccc(N3CCOCC3)cc1)[C@H](C)CC(C)(C)N2C 198077013 LIDHNBAZUMMQPR-VKELSTCCSA-N 391.559 5.304 30 40 GKEB C=CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)cc1 408907698 CEGNXYVSTYWBKV-NVZLDUMVSA-N 392.524 5.572 30 40 GKEB C=CCOc1c(Br)cc(CNc2cccc(C)c2C)cc1OC 409115965 KCWIFSUJHWVQDO-UHFFFAOYSA-N 376.294 5.251 30 40 GKEB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/c2cc(Cl)ccc2C)cc1 409203045 VTXMTVPPAANMOW-OEAKJJBVSA-N 399.899 5.475 30 40 GKEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccc(O)cc1)Nc1ccccc1N2 815777 RDSXILGVSCBBIY-WNSKOXEYSA-N 388.492 5.433 30 40 GKEB CCCCCCCc1nnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1 2293618 STJBVBHZERQOIV-UHFFFAOYSA-N 387.336 6.002 30 40 GKEB N#Cc1c(-c2ccc(Cl)cc2Cl)cc(-c2ccc(Cl)cc2)nc1O 4002335 QIZNUVWSMRGOKU-UHFFFAOYSA-N 375.642 5.953 30 40 GKEB C=CCc1c2occ(-c3ccc(OC)cc3)c2cc2c1oc(=O)c1ccccc12 5235535 VHCAUUZIKNCWIG-UHFFFAOYSA-N 382.415 6.097 30 40 GKEB Fc1ccc(N/N=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)c(F)c1 5572166 LQZAMGYMWOCOMX-MTDXEUNCSA-N 399.444 6.881 30 40 GKEB CCN(CC)c1ccc(/N=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)cc1 59427189 HBDRJIUUWPGPJH-LFVJCYFKSA-N 390.487 5.599 30 40 GKEB CCCCCCCCCn1c(/C=C/c2ccccc2OC)nc2ccccc21 97981110 JVJUJMZYHREVNZ-VHEBQXMUSA-N 376.544 6.966 30 40 GKEB C=C(C)COc1cccc(C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 219791970 FXQJMDDNCJHUIB-HXUWFJFHSA-N 392.543 5.369 30 40 GKEB Cc1cc2c(cc1/C=N\Nc1ccc(C(=O)O)cc1)[C@@H](C)CC(C)(C)N2C(C)C 223595890 TVYCLMSNKXHJSK-MQKZQLNTSA-N 393.531 5.640 30 40 GKEB CCCn1c(C)c(/C=N\Nc2c(F)c(F)c(F)c(F)c2F)c2cccc(C)c21 409041560 WFXNIRPZKYRHDZ-WMDMUMDLSA-N 395.375 5.810 30 40 GKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3c(Cl)cccc3Cl)c2C#N)C1 409213029 NXVZIOIMGHPRNB-SKBUGYKVSA-N 391.367 6.828 30 40 GKEB Cc1cc2ncn(/N=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2cc1C 1886057 YYKQMCKCXKLUCS-LGJNPRDNSA-N 377.532 5.836 30 40 GKEB Cc1ccc(/N=C/c2c(O)c(Br)cc3oc4c(c23)CCCC4)cc1 2280984 IAWSWJBOKAFLBE-SSDVNMTOSA-N 384.273 5.839 30 40 GKEB Cc1cccc(COc2ccccc2/C=N/Nc2ccc(Br)cc2)c1 4655954 RXBXKGJQIZOXSD-OEAKJJBVSA-N 395.300 5.783 30 40 GKEB O=C1ON(c2ccccc2)[C@@H](c2cccc(Br)c2)N1c1ccccc1 4694904 GBRGAIAOKHSEGI-IBGZPJMESA-N 395.256 5.526 30 40 GKEB COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccco2)c1 4973604 BOFLPTBJGFKEOZ-VOIUYBSRSA-N 386.451 5.268 30 40 GKEB CCCCOc1ccc(C(=O)O/N=C2\CCCc3cc(OC)c(C)cc32)cc1 5298422 GEWZMWOLROMIPZ-DARPEHSRSA-N 381.472 5.080 30 40 GKEB CCOc1ccc(/N=C2/C=C(Nc3ccc(OCC)cc3)c3ccccc32)cc1 5584874 IHZJYAKNTIXNKR-RFBIWTDZSA-N 384.479 6.071 30 40 GKEB O=[N+]([O-])c1ccc(-c2ccc(/C=N/NCc3ccccc3Cl)o2)c(Cl)c1 8811475 VXYIAECYJAYBPR-SSDVNMTOSA-N 390.226 5.285 30 40 GKEB Cc1ccc2nc(-c3ccc(C)c(/N=C\c4cc([N+](=O)[O-])ccc4O)c3)oc2c1 16348516 KOWDFHZSKLWFGL-FMCGGJTJSA-N 387.395 5.476 30 40 GKEB C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCC[C@H]2Cc2ccco2)c1 57450924 YVEMOVATEJFKPQ-SIKLNZKXSA-N 380.532 5.649 30 40 GKEB Clc1ccc(-c2sc(NN=C3CCCCC3)nc2-c2ccccc2)cc1 59475118 GJTBANGMJTTXGR-UHFFFAOYSA-N 381.932 6.863 30 40 GKEB COc1ccc(/N=C/c2c(C)nn(-c3ccccc3Cl)c2Cl)cc1Cl 102957276 LPKDMLAZQXKOQB-LSHDLFTRSA-N 394.689 5.900 30 40 GKEB CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)c(C#N)c1 225685326 MUSCJYJMAFKCAW-UHFFFAOYSA-N 382.891 5.451 30 40 GKEB C/N=C1\S/C(=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@H]3C)C(=O)N1C 260572354 UVILGIOAHVGCCF-JDULXDELSA-N 385.577 5.028 30 40 GKEB CCCCCCCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1CC 408561041 WHBGAIOAGNAAKA-UHFFFAOYSA-N 388.581 5.159 30 40 GKEB O=C(O)c1ccc(COc2ccccc2/C=N/c2cccc3ccccc23)cc1 408962263 XTOYWABQKVUYDQ-WGOQTCKBSA-N 381.431 5.868 30 40 GKEB C=CCOc1ccc(/C(C)=N/Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 409051399 LSPIZDOEYLBAOA-HYARGMPZSA-N 394.456 5.119 30 40 GKEB C#CCOc1c(Br)cc(CNc2ccccc2CC)cc1OCC 409119590 PQGKJTQGCGTYLP-UHFFFAOYSA-N 388.305 5.034 30 40 GKEB N#Cc1ccccc1CN1C(=O)S/C(=C/c2c(Cl)cccc2Cl)C1=O 409158320 SMQYEDPLAKZGEB-LZYBPNLTSA-N 389.263 5.102 30 40 GKEB C[C@H]1Nc2nc3ccccc3n2C(c2cccc(F)c2)=C1C(=O)c1ccccc1 1080230 SJMHENUYUCPNCC-OAHLLOKOSA-N 383.426 5.132 30 40 GKEB biogenic,in-vitro CC1(C)CC(=O)C2=C(C1)N(c1cccc(Cl)c1)C(=O)C[C@@H]2c1ccsc1 1080464 HCGYGQJSGKLHMW-MRXNPFEDSA-N 385.916 5.565 30 40 GKEB O=C1C2=C(Nc3ccccc3S[C@H]2c2ccc3c(c2)OCO3)c2ccccc21 2241670 PMSPERCAOORMFU-QHCPKHFHSA-N 385.444 5.282 30 40 GKEB Cc1ccc(-c2nc3cc(/N=C/c4cccc([N+](=O)[O-])c4O)ccc3o2)c(C)c1 3043330 OYJVTEKGHYHDRQ-FSJBWODESA-N 387.395 5.476 30 40 GKEB C/C(=N\Nc1nc(-c2ccc(Cl)cc2)nc2ccccc12)c1ccccc1O 4812523 GKCUQASZVCHGRV-VULFUBBASA-N 388.858 5.492 30 40 GKEB COc1ccc(Br)c(/C=N\c2ccc(Nc3ccccc3)cc2)c1O 16215712 LXKHRQKSOJVHLO-XKZIYDEJSA-N 397.272 5.658 30 40 GKEB Cc1ccc(/C=C2\S/C(=N\c3ccccc3C)N(c3ccccc3C)C2=O)o1 19832315 PFORUUQOMJIIPA-PZUCIDFCSA-N 388.492 6.013 30 40 GKEB Clc1cccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)c1 20100634 GORNMBXMXPKLFZ-YZSQISJMSA-N 387.914 5.062 30 40 GKEB CCCCN(CCCC)Cc1c(O)ccc2c1O/C(=C\c1sccc1C)C2=O 20625005 QVAZLLGQZPRBHZ-ZHZULCJRSA-N 399.556 5.781 30 40 GKEB COc1ccccc1CN/N=C/c1cn(Cc2ccccc2C)c2ccccc12 20762164 IIACHBIUPPHVHI-JVWAILMASA-N 383.495 5.130 30 40 GKEB Cc1cc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)c(C)n1C 83312884 VRQDPFCIJTXPIJ-YACCPEJUSA-N 393.556 5.579 30 40 GKEB Cc1cccc(-c2nc3cc(/N=C/C=C/c4cccc([N+](=O)[O-])c4)ccc3o2)c1 100501558 RSJDMDMCGCOPMH-NTJMOUOKSA-N 383.407 6.127 30 40 GKEB O=C(Nc1ccc(/N=C/c2c(O)ccc3ccccc23)cc1Cl)c1ccco1 102417310 VCQKTJXHDKVIKX-ZMOGYAJESA-N 390.826 5.795 30 40 GKEB C=CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)c2ccccc12 225933159 YIWQJYGRLVXIHN-UHFFFAOYSA-N 399.534 6.554 30 40 GKEB Cc1cc(/C=N/c2ccc(C(=O)O)cc2)c(C)n1-c1ccccc1Br 408912626 RIYJFAYSRPQWOY-WSDLNYQXSA-N 397.272 5.305 30 40 GKEB Cc1ccc(N=C2NC(=O)/C(=C\c3cccn3-c3ccc(C)cc3C)S2)cc1 408962390 HZRLXADPRWRKNA-KGENOOAVSA-N 387.508 5.294 30 40 GKEB Cc1ccc(Oc2ccc(/N=C/c3cccn3-c3cccc(C(=O)O)c3)cc2)cc1 409112654 FVCWAWCIPRJTBR-YZSQISJMSA-N 396.446 6.027 30 40 GKEB CC[C@H](C)Oc1c(Cl)cc(/C=N\c2cccc(Cl)c2Cl)cc1OC 409383693 ZWHRMCKLJNUIOK-NQWZYWRBSA-N 386.706 6.583 30 40 GKEB CC(=O)Oc1ccc2ccccc2c1/C=N/c1ccc(C)cc1Br 704472 STZYJJHDJAYHOS-WSDLNYQXSA-N 382.257 5.587 30 40 GKEB CCCCCCCCCCNC(=O)c1cc(-c2ccco2)nc2ccccc12 2733676 QZWMSRHDBGJNBC-UHFFFAOYSA-N 378.516 6.365 30 40 GKEB O=C(ON=C1c2ccccc2-c2ccccc21)c1ccc(-c2ccccc2)cc1 3042460 SBSKSTQHTXZDJK-UHFFFAOYSA-N 375.427 5.943 30 40 GKEB Cc1cccc(C[C@H]2S/C(=N/N=C/c3ccccc3)N(c3ccccc3)C2=O)c1 4712938 IPDOZXNMKSRPHL-IJGBZFIWSA-N 399.519 5.076 30 40 GKEB COc1ccc(OC)c([C@@H]2C3=C(CCCC3=O)Nc3ccc4ccccc4c32)c1 4930279 VRXVRERCBSXXOD-DEOSSOPVSA-N 385.463 5.422 30 40 GKEB Cc1ccc(C)c(/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c1 6189445 OQTLULPGWJUXJC-LPYMAVHISA-N 391.383 5.663 30 40 GKEB C=CCOc1ccc(C(=O)N(Cc2ccc(CC)cc2)Cc2ccco2)cc1 6747443 VOQDXFYBMJDUBU-UHFFFAOYSA-N 375.468 5.249 30 40 GKEB CCOc1cc(/C=N/c2ccccc2C)ccc1OCc1ccccc1Cl 6961589 CRYKNQZVIPZFOD-MFKUBSTISA-N 379.887 6.377 30 40 GKEB N#Cc1cccc(CSc2nnc(Cc3cccs3)n2-c2ccccc2)c1 6993200 DURWGHDEVGNNEU-UHFFFAOYSA-N 388.521 5.084 30 40 GKEB CC1(C)Cc2c(C#N)c(NCc3ccccc3)nc(Cc3ccccc3)c2CO1 13510551 NZGSPZGWEOKHMN-UHFFFAOYSA-N 383.495 5.007 30 40 GKEB N#Cc1cc([N+](=O)[O-])ccc1Sc1nc(-c2ccccc2)c(-c2ccccc2)o1 16492257 MXPTVPIMDRGTOH-UHFFFAOYSA-N 399.431 5.940 30 40 GKEB COc1ccccc1CN/N=C/c1c(C)n(Cc2ccccc2C)c2ccccc12 20763583 HVLGZYBWAZTTPD-OGLMXYFKSA-N 397.522 5.439 30 40 GKEB N#Cc1nc(-c2ccc(COc3ccc4ccccc4c3)o2)oc1N1CCCC1 33027092 APULFAUKWBSVCI-UHFFFAOYSA-N 385.423 5.139 30 40 GKEB Cc1c(C#N)c(N)nc2c3c(sc12)N=C1CCCC(O)=C1[C@@H]3c1cccs1 102554185 FHAOXABMCDWCJD-HNNXBMFYSA-N 392.509 5.334 30 40 GKEB CCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)c(C#N)c1 225762956 HJMPVNMNUJLRRV-UHFFFAOYSA-N 380.463 5.327 30 40 GKEB N#Cc1ccccc1CO/N=C/c1ccccc1OCc1ccc2ccccc2c1 408593724 CQFAVPWQFWHTEZ-OGLMXYFKSA-N 392.458 5.841 30 40 GKEB C#CCOc1ccc(Br)cc1/C=N/c1sc2c(c1C#N)CCCC2 408811340 LDNJIFFNWNQLLE-WSDLNYQXSA-N 399.313 5.024 30 40 GKEB Clc1ccc(Sc2oc(/C=N\C3CCCCC3)cc2Br)cc1 408851950 CDMPLZJOJVWEBG-JAIQZWGSSA-N 398.753 6.598 30 40 GKEB C/C(=N\OCc1ccc(Cl)cc1Cl)[C@H]1C[C@@H]1c1ccc(C(C)C)cc1 4084778 NKJQOSOOQQJMDY-KXWSDFAKSA-N 376.327 6.813 30 40 GKEB Cc1ccc(/C=N/Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1 4478012 QJSWJKXVJYYBKO-LFVJCYFKSA-N 395.470 5.113 30 40 GKEB COc1cccc2c1OC1=C(C(=O)CC(C)(C)C1)[C@@H]2CC(=O)c1ccc(F)cc1 4778732 AGURVECRTVMSTH-QGZVFWFLSA-N 394.442 5.227 30 40 GKEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@@H]2c1ccc(F)cc1F 5129484 XPANWPVQGUZCHQ-XMMPIXPASA-N 389.445 6.428 30 40 GKEB O=C(O)c1ccc(N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 5528771 NQNDMCIERWBWTP-UFFVCSGVSA-N 375.211 5.398 30 40 GKEB COc1ccc(-c2nc(/N=C/c3ccc(Cl)cc3Cl)sc2C)cc1 6200817 OSDCNGOXAFEFMV-UFFVCSGVSA-N 377.296 6.185 30 40 GKEB C/N=c1\scc(-c2ccc(F)cc2)n1/N=C/c1ccc(Cl)c(Cl)c1 12602539 WKOIINPSZVKXOL-VBXHEDAZSA-N 380.275 5.075 30 40 GKEB CCN(CC)c1ccc(/C=N/c2nc3ccccc3n2Cc2ccccc2)cc1 12969999 WYAUNHBHXOHMIT-NLRVBDNBSA-N 382.511 5.681 30 40 GKEB Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C/c2ccc(Cl)cc2)cc1 17429152 IRBCNWCDLIIFLC-HYARGMPZSA-N 384.888 5.200 30 40 GKEB Fc1ccc(NC(=S)N/N=C2/C[C@H](c3ccccc3)Oc3ccccc32)cc1 35729815 LDAJEDHWZPEVGW-QAKHZNQRSA-N 391.471 5.040 30 40 GKEB Fc1ccccc1COc1ccc(/C=N/Nc2nc3ccccc3s2)cc1 59418085 PXSGPWVJEXAMRV-YDZHTSKRSA-N 377.444 5.460 30 40 GKEB O=[N+]([O-])c1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1 59471664 FIRMSYPPOYQBOA-XQUDSNIVSA-N 395.462 6.172 30 40 GKEB CCCc1sc(/N=C/c2ccc3ccccc3c2O)c(C(=O)OCC)c1C 103762453 CRXNZFFKUCXZBY-YDZHTSKRSA-N 381.497 5.795 30 40 GKEB Cc1ccc(-c2cc(C(F)(F)F)nc(N/N=C/c3ccc(F)s3)n2)cc1 252508049 XBGBYVCBUOBEQT-LSFURLLWSA-N 380.370 5.117 30 40 GKEB C=CCc1cc(CNc2cccc(C)c2)cc(OCC)c1OCc1ccccc1 409112604 FDEPLYPVFWTQND-UHFFFAOYSA-N 387.523 6.313 30 40 GKEB Cc1cccc(/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c1C 409211913 PCXJHPIZLTYJFB-LPYMAVHISA-N 391.383 5.663 30 40 GKEB Cc1ccc(COc2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2)cc1 409212333 OYCLIKVXTLXDRT-TURZUDJPSA-N 393.486 7.117 30 40 GKEB CN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(Cl)cc2)C2=C1CC(C)(C)CC2=O 2493620 LZUWBCKXNFLOPN-UHFFFAOYSA-N 397.946 5.655 30 40 GKEB CCOc1cc(Br)cc(/C=N/c2cc([C@H](C)CC)ccc2O)c1O 3043434 IPFQSIDEBRAFEA-KIHMUJGBSA-N 392.293 5.523 30 40 GKEB CCCCCCOc1ccc(/N=C/c2ccc(O[C@H]3COCC=C3C)cc2)cc1 4889366 OTYYFZLLXQGSDJ-YYLNTILESA-N 393.527 6.120 30 40 GKEB Cc1ccc(C(=O)Oc2ccc(/C=C3/Oc4ccc(Cl)cc4C3=O)cc2)cc1 16806170 ODKCFPARFYITJZ-CIAFOILYSA-N 390.822 5.484 30 40 GKEB biogenic,in-vitro CSc1nc(-c2ccc(C(C)(C)C)cc2)c(C#N)c(N(C)C2CCCCC2)n1 19820359 WZAUNWKTPIZBCO-UHFFFAOYSA-N 394.588 5.804 30 40 GKEB CCN1C(=O)/C(=C\c2ccc(C(C)C)cc2)S/C1=N\c1cccc(C(=O)O)c1 35656443 SPOLWNWHLJVEIY-FFXWWKDOSA-N 394.496 5.132 30 40 GKEB CC(C)(C)/N=C1\[C@H](N2CCCCC2)C2(CCCCC2)C(=S)N1c1ccccc1 71405899 SIMQAUWXKXXKMB-MEQARESCSA-N 397.632 5.836 30 40 GKEB COc1ccc2[nH]c(-c3ccccc3)c(/C=N\c3cccc4ccccc34)c2c1 408779498 XLGCNJIATDAKTA-PKAZHMFMSA-N 376.459 6.747 30 40 GKEB CN(C)c1ccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1 408981044 YKYZFDOQLRAWBX-PCLIKHOPSA-N 389.568 6.674 30 40 GKEB O=C(NC1CCCCC1)c1c(/N=C\c2cccc(F)c2)sc2c1CCCC2 408990973 XGIQNGAXBZBYIG-OYKKKHCWSA-N 384.520 5.579 30 40 GKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccccc4C#N)o3)S2)c(C)c1 409008549 XQLLEMOLHJQVCO-MTJSOVHGSA-N 399.475 5.327 30 40 GKEB CCOc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1OC 409082404 LYNXITRSFFMMER-FRQJIFLKSA-N 396.556 5.929 30 40 GKEB CCCCc1ccc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)cc1 409096294 KLBYGLSJOUAZFT-YBFXNURJSA-N 377.238 5.156 30 40 GKEB COC(=O)c1ccc(Cn2cc(/C=N/c3ccc(F)c(C)c3)c3ccccc32)o1 409394100 VQASAXLZMOSPLT-BRJLIKDPSA-N 390.414 5.267 30 40 GKEB C[C@H]1CCc2sc(NC(=O)COc3ccc(Cl)cc3Cl)c(C#N)c2C1 998701 QDKKLDZPRHRQHR-JTQLQIEISA-N 395.311 5.069 30 40 GKEB N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SC[C@H]1CCCCC1=O 1064769 UTWVPFCMPGNRJZ-LLVKDONJSA-N 396.459 5.552 30 40 GKEB Brc1ccc(/N=C/c2ccc(N3Cc4ccccc4C3)cc2)cc1 2901855 IVSHQZJSXDWSQX-YDZHTSKRSA-N 377.285 5.720 30 40 GKEB C=C1CC[C@@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]12 5380449 QYSXJUFSXHHAJI-RMWJWDNVSA-N 384.648 7.619 30 40 GKEB in-vitro C=CCNC(=S)N=P(N1CCCCCC1)(N1CCCCCC1)C(C)(C)C 5446704 XRSWQKQHLSCFCZ-UHFFFAOYSA-N 398.601 5.629 30 40 GKEB CCOc1cc(/C=N/c2ccc(C)cc2C)ccc1OCc1ccc(F)cc1 6961330 BDAJEFBWSIXQBA-CVKSISIWSA-N 377.459 6.171 30 40 GKEB Cc1nn2c(c1-c1ccccc1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccccc1 8559396 LHSCMIJUGVNDHC-QHCPKHFHSA-N 383.495 5.517 30 40 GKEB Clc1ccc(CN/N=C/c2ccccc2OCc2ccccc2Cl)cc1 10118682 HGNCOJOXRFGJRO-AFUMVMLFSA-N 385.294 5.696 30 40 GKEB O=C(Nc1cccc(Cl)c1)Nc1ccccc1NCC#CC#Cc1ccccc1 16451148 UUPBQCCKWNJZTL-UHFFFAOYSA-N 399.881 5.451 30 40 GKEB CCCC(C)(C)[C@@H]1CC/C(=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](C)C1 32025465 ZFJMCICFPLOLLQ-RFLJKCSHSA-N 376.457 5.533 30 40 GKEB CC1(C)[C@@H]2CC[C@]1(C)/C(=N/NC1=NC(=O)/C(=C\c3ccc(Cl)cc3)S1)C2 100512899 PYCCCDOXZRYTIF-RKKOEMBASA-N 387.936 5.102 30 40 GKEB CCCCCCC/C=C\CCCCCCCCCc1cccc(O)c1C(=O)O 103568700 GNGUKOYLXYOGPR-HJWRWDBZSA-N 388.592 7.670 30 40 GKEB Ic1ccc(/C=N/c2ccc3c(c2)oc2ccccc23)o1 103757447 RZSBYAGDXHXXKN-VXLYETTFSA-N 387.176 5.534 30 40 GKEB CCn1c(N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)nc2ccccc21 408692175 GKLPLCCWUIJRQF-ZVHZXABRSA-N 375.451 5.049 30 40 GKEB CCCN1C(=O)/C(=C\c2cccc(OC)c2OCC)S/C1=N\c1ccccc1 408911724 OEQNIRQGQFCQOX-MVPFZZEBSA-N 396.512 5.108 30 40 GKEB O=[N+]([O-])c1ccc(Sc2ccc(/N=C/c3cccc([N+](=O)[O-])c3O)cc2)cc1 409105542 ILXWBIXDMJIEPA-UDWIEESQSA-N 395.396 5.110 30 40 GKEB C=CCOc1c(Br)cc(/C=N/c2cc(Cl)ccc2C)cc1OC 409209424 BMAXMHJXTJRYHG-SRZZPIQSSA-N 394.696 5.735 30 40 GKEB O=C1/C(=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)Cc2ccccc21 409368650 GHZNTLKLUMAKBJ-HAVVHWLPSA-N 399.493 6.665 30 40 GKEB C=CCn1c(SCc2ccc(C)cc2C)nc2sc3c(c2c1=O)CCC3 984892 XDORZQMFROADGE-UHFFFAOYSA-N 382.554 5.042 30 40 GKEB CC(=O)n1nc(C(F)(F)C(F)(F)C(F)(F)F)c(Cl)c1-c1ccccc1 2526335 JMOOZLCLDFNQRB-UHFFFAOYSA-N 388.670 5.153 30 40 GKEB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C/C(=C\c1ccc(Cl)cc1)C2=O 4672172 WCHUABIOEGJTRD-KAJLVOKLSA-N 392.926 6.164 30 40 GKEB O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccc(O)cc1)Nc1ccccc1N2 5092451 WWAVCBOISREDOL-IQGLISFBSA-N 382.463 5.372 30 40 GKEB COc1cc(/C=N/c2cc(C)ccc2C)ccc1OCC(=O)Nc1ccccc1 8368057 GXMNGRMBZZCYNB-MFKUBSTISA-N 388.467 5.080 30 40 GKEB Cc1ccc2nc(-c3cc(/N=C\c4ccc(Cl)c(Cl)c4)ccc3O)oc2c1 18178405 ZYXYIQDDHUFKII-MYKKPKGFSA-N 397.261 6.566 30 40 GKEB Cc1cc2c(cc1C)CN(c1cccc(C(=O)/C=C/c3ccc(Cl)cc3)c1)C2 59503639 VQTKDTSEXKYRKY-DHZHZOJOSA-N 387.910 6.373 30 40 GKEB C[C@H](/N=C/c1ccc(O)c(Cc2c(F)cccc2Cl)c1O)c1ccccc1 100092756 VRDOWJCCMQWKGX-XHCMJAMOSA-N 383.850 5.661 30 40 GKEB CCCCCCCCCCCC(=O)O[C@H](C)C(=O)N(CCCC)CCCC 100302516 NPYDRNCLCMUULA-OAQYLSRUSA-N 383.617 6.268 30 40 GKEB N#Cc1sc(/C=C/NOCc2c(Cl)cccc2Cl)nc1C(F)(F)F 100406007 BQTMIFQFFLGCJE-SNAWJCMRSA-N 394.205 5.032 30 40 GKEB N#C/C(=N\Nc1c(Cl)cc(Cl)cc1Cl)C(=O)c1ccc(Cl)cc1 103612457 HWFUFYSVCPLRPX-FYJGNVAPSA-N 387.053 5.475 30 40 GKEB CCCCCCCCCCCCSC1=C(OC)C(=O)C(OC)=C(OC)C1=O 104188923 VWNHUJTVCVSWRS-UHFFFAOYSA-N 398.565 5.155 30 40 GKEB C(=N\SC(c1ccccc1)(c1ccccc1)c1ccccc1)\c1ccccc1 104244757 OEHDEUIEMOJWIW-MEFGMAGPSA-N 379.528 6.746 30 40 GKEB Cc1c(/C=N/N=C2\CC[C@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@]23C)cnn1C 118916362 FTSQLIABFSZKPD-PWUKIJJWSA-N 394.607 5.936 30 40 GKEB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2OC(=O)c1ccccc1 118916952 RZJSCADWIWNGKI-PDVSWFIFSA-N 392.539 5.744 30 40 GKEB biogenic,in-vitro Cc1cc(/C=N/OCc2ccccc2C#N)c(C)n1-c1ccc2ncccc2c1 408591885 KZBYWEIVBBPTKS-JFLMPSFJSA-N 380.451 5.065 30 40 GKEB Cc1cccc(/N=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2)c1C 409199713 CVDIJVFPPRUUDM-AFUMVMLFSA-N 392.886 5.725 30 40 GKEB COc1ccc(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 695529 FJGZKGLFCAIYJE-MRXNPFEDSA-N 396.556 5.351 30 40 GKEB Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccs2)cc1 729494 WCLSGIZZZLWDOK-XDHUDOTRSA-N 386.520 6.036 30 40 GKEB N#Cc1c(NC(=O)c2cc(-c3ccccc3Cl)on2)sc2c1CCCC2 815187 SROXLDKWCFVHSE-UHFFFAOYSA-N 383.860 5.059 30 40 GKEB Cc1cc(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)ccc1C(C)C 947406 LNCAZUTXJIMXBU-AWEZNQCLSA-N 382.529 5.194 30 40 GKEB COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccc4ncccc4c32)cc1 1423234 CWXLXUUESSHARQ-QFIPXVFZSA-N 384.479 5.444 30 40 GKEB N#Cc1ccc(-c2ccccc2Cl)n(Cc2c(Cl)cccc2Cl)c1=O 3051041 MGPUXBXVTZVKFX-UHFFFAOYSA-N 389.669 5.395 30 40 GKEB Cc1cc(OCc2ccc(C#N)cc2)c2c(C)c(Cc3ccccc3)c(=O)oc2c1 3233815 LFLKPYZWMGBZGG-UHFFFAOYSA-N 395.458 5.451 30 40 GKEB COc1ccc2c(c1C)CCC/C2=N/OC(=O)c1cc(SC)ccc1Cl 4459130 VYSJWSFTSQIUKX-PYCFMQQDSA-N 389.904 5.276 30 40 GKEB C=CCOc1ccc(/C=C2\S/C(=N\c3cccc4ccccc34)NC2=O)cc1 5551324 TZIHKHIDIFONHW-QNGOZBTKSA-N 386.476 5.296 30 40 GKEB Cc1ccccc1/N=C/N(Sc1ccccc1[N+](=O)[O-])c1ccccc1C 5756129 VNWDRXRJOLQOIP-PXLXIMEGSA-N 377.469 6.085 30 40 GKEB Cc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c(C)c1 8368749 CJRSCCMNZYGHRA-DHRITJCHSA-N 384.306 6.940 30 40 GKEB Oc1c(Cl)cc(Cl)cc1/C=N\c1ccc(-c2nc3ccccc3o2)cc1 16545319 HGVZNJMURKJSNJ-KSEXSDGBSA-N 383.234 6.258 30 40 GKEB Cc1cc(C)c(Sc2nc(N)c(C#N)c(-c3ccc(C)s3)c2C#N)c(C)c1 20094590 KNZMVVFALKSMAJ-UHFFFAOYSA-N 390.537 5.521 30 40 GKEB CCOC(=O)c1ccc(-c2ccc(/C=N\Nc3nc4ccccc4s3)o2)cc1 35771580 BLIOEHOEXWQQDN-XKZIYDEJSA-N 391.452 5.179 30 40 GKEB COc1ccc2c(c1)CCc1sc(/N=C/c3ccc(Cl)c(OC)c3)nc1-2 59459285 JWCYUTKBMHTOIG-SSDVNMTOSA-N 384.888 5.330 30 40 GKEB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)c(F)c1F 59837361 ZUFPYUFZNGYXJR-UHFFFAOYSA-N 387.201 5.394 30 40 GKEB CCn1cc(/C=C2\C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cn1 253369355 BLUXDDQLXIXNPG-UOUHZCDXSA-N 380.576 5.898 30 40 GKEB Cc1sc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)c(C#N)c1C 408629147 LZLWZNUHDUWEIP-UHFFFAOYSA-N 391.279 6.056 30 40 GKEB Cc1ccc(C)c(/N=C\c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)c1 408851238 AMZQYUMBUKYBHQ-MSXFZWOLSA-N 380.875 5.813 30 40 GKEB CSc1ccccc1/N=C/c1cc(C)n(-c2ccc(Cl)c(C(=O)O)c2)c1C 408944416 MJKHNFHPJRVMHO-FSJBWODESA-N 398.915 5.918 30 40 GKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc(F)c(Cl)c3)c2C)c1 408967212 QWMXXFOEGIINQD-DHRITJCHSA-N 398.865 5.814 30 40 GKEB COc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCc1ccc(F)cc1 409208358 FLGAEVVLGJSWNY-DHRITJCHSA-N 383.850 6.126 30 40 GKEB O=C(c1cccc(F)c1Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575242718 DSQFWTFZLHLTTO-UHFFFAOYSA-N 376.577 5.130 30 40 GKEB CCCCCCCCCCCCCCCCCC/C=C\C(F)(F)C(F)(F)F 575330466 OYBNYEZZZGMNPJ-VXPUYCOJSA-N 398.544 9.392 30 40 GKEB Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2C)cc1 1077608 BATTWXKCODIJDU-HRFSGMKKSA-N 394.518 6.283 30 40 GKEB Cc1cc(-c2nc3ccccc3o2)ccc1/N=C/c1cccc(Cl)c1Cl 3206510 RVFPDVOCGKWMHP-WYMPLXKRSA-N 381.262 6.861 30 40 GKEB CCCCCCCCC(=O)NCCc1nc(-c2ccc(Cl)cc2)cs1 3768007 PHFLPSUGQAYFFJ-UHFFFAOYSA-N 378.969 5.873 30 40 GKEB Fc1ccc(/C=N/c2ccc(C3c4ccccc4Sc4ccccc43)cc2)cc1 4452504 BHFOZWKXEYWREG-OGLMXYFKSA-N 395.502 7.221 30 40 GKEB N#CCCSc1nnc(-c2ccc(Br)cc2)n1C1CCCCC1 6832381 IGKLXLVNQMVZOC-UHFFFAOYSA-N 391.338 5.219 30 40 GKEB N#CCCNc1ccc(/N=N/c2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 7367560 ZXGCLUAKQNVNSK-CYYJNZCTSA-N 380.407 5.203 30 40 GKEB C=CCOc1c(Br)cc(-c2nc3ccccc3s2)cc1OC 8111029 JRRLQFSPKULLBL-UHFFFAOYSA-N 376.275 5.299 30 40 GKEB COc1cc(/N=C2/C=C(O)C[C@@H](c3ccc(F)cc3)C2)c(OC)cc1Cl 102679946 PBJHRGATSMGRSR-RWGAVXAESA-N 375.827 5.588 30 40 GKEB CCCCCCCCCCCCCCCCCC[N+]1(CC)[C@@H](C)CC[C@H]1C 104177312 BLDXZRMRJWMIGB-ZVBBVAIHSA-N 380.725 8.655 30 40 GKEB COc1cccc(/C=N/c2cccc(Cl)c2)c1OCc1ccc(C(=O)O)cc1 409188486 ZSUOXBGGTOXXTM-ZMOGYAJESA-N 395.842 5.376 30 40 GKEB COc1ccc(Cl)cc1/N=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1 409235259 AWGMTPVGUIECDV-WGARJPEWSA-N 392.861 6.241 30 40 GKEB COc1cccc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)c1O 796466 QZFRUQQBCQKZLN-JOCHJYFZSA-N 392.499 5.240 30 40 GKEB C[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)c2C#N)C1 1959685 OOZSJLJJJNSWMP-ZPMKCOPCSA-N 391.323 5.703 30 40 GKEB C/C(=N\Nc1cc(C)nc(-c2ccc(Br)cc2)n1)c1ccc(C)cc1 4713104 BPEKLLZNGMXGHQ-BUVRLJJBSA-N 395.304 5.359 30 40 GKEB COc1cc(/C=N/OCc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 5752653 ZSWKUGXETWBBEP-AFUMVMLFSA-N 395.886 5.787 30 40 GKEB CC(C)c1ccc(-c2c(C#N)c(N)c(C#N)c3c2CSc2ccccc2-3)cc1 6239429 YPOPMBMSCXVKTI-UHFFFAOYSA-N 381.504 6.075 30 40 GKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc(C(F)(F)F)cc3)c2C#N)C1 6323214 AGOZKLKIHFQHMS-PZIWGWIQSA-N 390.474 6.540 30 40 GKEB Cc1ccc(/N=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1 8371855 MQJOMXVQFXXOQE-ZMOGYAJESA-N 398.275 6.226 30 40 GKEB N#Cc1ccc(Oc2cc(-c3ccccc3)c3cc4c(cc3n2)OCCO4)cc1 13150397 ZHMQYYSDRWPCQI-UHFFFAOYSA-N 380.403 5.337 30 40 GKEB C#CCN1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)s2)C1=O 15013366 KUBIHDCUOGOOKX-GXDHUFHOSA-N 391.926 5.222 30 40 GKEB Brc1cccc(/C=N/c2ccc(CSc3ccccc3)cc2)c1 20242126 OUTXHUMXZRFIBP-HYARGMPZSA-N 382.326 6.492 30 40 GKEB CCCCCCCCCCOc1ccc(/C=N/c2ccc(CCCC)cc2)cc1 100167699 MSABKRNOGDWYAE-WEMUOSSPSA-N 393.615 8.299 30 40 GKEB CC1(C)[C@H]2CC[C@@]1(C)C/C2=N/Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 104057361 QUCPONURMQLKQU-RTMVSCAPSA-N 394.371 6.731 30 40 GKEB C=CCOc1cccc(NC(=S)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)c1 225679840 PNZIYHMVWLZFAP-IBGZPJMESA-N 382.529 5.149 30 40 GKEB C[C@@H](NC(=O)c1ccccc1N=Cc1c(O)ccc2ccccc12)c1ccccc1 254838737 UXJFDYIHRJGPFS-GOSISDBHSA-N 394.474 5.787 30 40 GKEB Cc1ccc([N+](=O)[O-])cc1/C=N/c1oc(-c2ccccc2)c(-c2ccco2)c1C#N 408977151 UPGBFRBQYSXQST-AFUMVMLFSA-N 397.390 6.046 30 40 GKEB C=CCN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)s2)C1=O 409014288 IJOPBRCJIGYSIC-UVTDQMKNSA-N 393.942 5.775 30 40 GKEB C=CCOc1c(Br)cc(CNc2ccc(OC)cc2)cc1OCC 409112983 HNOBTSOJVRSNOV-UHFFFAOYSA-N 392.293 5.033 30 40 GKEB Cc1ccc(C)n1-c1ccc(/N=C\c2ccc(OCC(=O)OC(C)C)cc2)cc1 409186843 INHKLFPWEPBPSV-MYYYXRDXSA-N 390.483 5.175 30 40 GKEB Cc1ccc(S(=O)(=O)Oc2cccc(/C=N\c3cccc(C)c3C)c2)cc1 409200678 JQRICZGFIJNRGF-HAHDFKILSA-N 379.481 5.130 30 40 GKEB Cc1ccc(/N=C/c2c(C)nn(-c3ccccc3)c2Sc2ccc(C)cc2)cc1 2072609 ANTQZFYDMRSAEH-YZSQISJMSA-N 397.547 6.699 30 40 GKEB CCCCCCCCc1nnc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)s1 3016502 PXVOJACDEMYEAU-UHFFFAOYSA-N 396.900 5.255 30 40 GKEB COc1ccc(/C=N/c2ccc3nc(-c4ccc(Cl)cc4Cl)[nH]c3c2)cc1 3140368 UAWIDJOYSHGVIJ-WYMPLXKRSA-N 396.277 6.296 30 40 GKEB O=C1/C(=C/c2ccc3c(c2)OCO3)CCc2c1cnc1ccc3ccccc3c21 4603066 WHFYZWNZUVQGLH-GZTJUZNOSA-N 379.415 5.329 30 40 GKEB CCc1c(C)c(C#N)c2nc3ccccc3n2c1N/N=C/c1ccc(Cl)cc1 5457448 NKFVYSYLHARJCL-DHRITJCHSA-N 387.874 5.329 30 40 GKEB N#Cc1ccccc1CSc1nnc(Cc2cccs2)n1-c1ccccc1 7121129 PTVVCAPRYZJCEI-UHFFFAOYSA-N 388.521 5.084 30 40 GKEB COc1cc(/C=N/c2ccccc2C)ccc1OCc1cccc2ccccc12 8570894 YDJWHGNFACZHSV-WPWMEQJKSA-N 381.475 6.486 30 40 GKEB Cc1ccc(NC(=O)[C@H](Nc2ccc(CC#N)cc2)c2ccccc2)cc1Cl 15499120 UXMYJPIGZXDILU-JOCHJYFZSA-N 389.886 5.506 30 40 GKEB CSC1=N/C(=N\c2c(C)cccc2C)C2(CCCC2)N1c1ccc(O)cc1 17186164 ZSGGXLIEVQCPHK-ATJXCDBQSA-N 379.529 5.591 30 40 GKEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cccc2ccccc12 20633274 UJHIMNZDCFYXHP-QHCPKHFHSA-N 395.462 5.208 30 40 GKEB COc1ccc(Cl)cc1/N=C/c1cccn1-c1ccc(Br)cc1 59249230 IVDBWMJUFUTETF-CIAFOILYSA-N 389.680 5.652 30 40 GKEB CCCCCCCCCCCCCCC[C@H](O)[C@H](CO)NC(=O)CCCCC 78215306 VUMHYWBWYSPQMM-GOTSBHOMSA-N 399.660 5.886 30 40 GKEB CCCCOc1ccc(C2=NOC(=O)/C2=C\c2ccc(Cl)cc2Cl)cc1 101662753 AWGZNTHOKQXSFB-BOPFTXTBSA-N 390.266 5.517 30 40 GKEB Cc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(C(C)C)cc1 408590756 HTPVTRYGHFNZGT-ZVHZXABRSA-N 391.471 5.676 30 40 GKEB Cc1cc(/N=C/c2c#ccc(OCc3ccccc3Cl)c2)n(-c2ccccc2)n1 409072807 DRLAWUHEOPJIEF-WGOQTCKBSA-N 399.881 5.764 30 40 GKEB Cc1cc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)c(C)n1C(C)C 409296645 UNWXOICAYJKFMN-UHFFFAOYSA-N 390.531 5.326 30 40 GKEB FC(F)(F)C(F)(F)C(F)(F)CCCOc1cccc(Br)c1 1565662385 ZGBYNKSYJUSOSZ-UHFFFAOYSA-N 383.101 5.441 30 40 GKEB CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@@H]1[C@H]2c1ccc(Cl)cc1 663008 NNGLOGDPJVKHKT-PZJWPPBQSA-N 389.882 5.382 30 40 GKEB CC/N=C1\S/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N1CC 5552141 OUGIOUYMMITYEF-WPKWFYOXSA-N 395.311 5.566 30 40 GKEB N#Cc1c(NC(=O)c2cccc3c(Br)cccc23)sc2c1CCC2 6226621 LJDNDAVSTCMAQP-UHFFFAOYSA-N 397.297 5.276 30 40 GKEB CC[C@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccccc2)C1=O 6358028 ANHBODYUXROSCJ-LSIOVLHASA-N 387.508 5.084 30 40 GKEB CCCCCCCCCCCCNC(=O)c1cc(OC)c(OC)c(OC)c1 8387021 GIHPAIDTJLMWMC-UHFFFAOYSA-N 379.541 5.363 30 40 GKEB Cc1ccc(OCc2ccc(-c3nc(C#N)c(N4CCCCCC4)o3)o2)cc1 8844499 QKBZEKLLXZJVOG-UHFFFAOYSA-N 377.444 5.074 30 40 GKEB CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N\c1ccccc1 33934504 FICNJFNOHGKQBK-KAXIZBKFSA-N 381.526 5.071 30 40 GKEB N#Cc1ccc(/C=C(/Cl)c2nc(O)c3c(-c4ccccc4)csc3n2)cc1 96792079 GWTUKVRPRDVHJL-LICLKQGHSA-N 389.867 5.672 30 40 GKEB CN(C)c1ccc(/C=N/CC[C@@H](c2ccccc2)[C@H]2CCOC(C)(C)C2)cc1 100695603 XWCIXZHNWBURHK-QVLLRGFBSA-N 378.560 5.551 30 40 GKEB N#Cc1c(SCc2ccccc2)[nH]c2ccc(Oc3ccccc3)cc2c1=O 101020291 DYWYYOCSURGBFM-UHFFFAOYSA-N 384.460 5.484 30 40 GKEB Cc1nn(C)cc1/C=C1\C[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]2(C)C1=O 253369991 KVDDTNQRMJYZPQ-CUWBLIAMSA-N 380.576 5.724 30 40 GKEB Cn1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)c2ccccc21 408816999 KLIYQCBWRXXCBL-SANMLTNESA-N 378.475 6.005 30 40 GKEB CC(C)CN1C(=O)/C(=C/c2ccc(F)cc2)S/C1=N/c1ccc(Cl)cc1 409091714 RPHOXQHSGGIHOU-BLAKXTKQSA-N 388.895 5.739 30 40 GKEB CCN1C(=O)/C(=C\c2ccc(N(CC)CC)cc2)S/C1=N/c1ccc(F)cc1 409254956 YNUKOCRVKKPISC-WJGQKVTCSA-N 397.519 5.296 30 40 GKEB COc1ccccc1N/N=C(\C#N)c1nc(-c2ccc(CC(C)C)cc2)cs1 4175350 WJEMHEZCKIZHCW-LGUFXXKBSA-N 390.512 5.357 30 40 GKEB Cc1ccc(/C=C(\C(=O)c2ccc(OC(C)C)cc2)c2nc3ccccc3o2)o1 4302707 ZPQUQNQLBZTHPY-XSFVSMFZSA-N 387.435 5.940 30 40 GKEB C[C@H](C/N=C/c1c(O)ccc2ccccc12)/N=C/c1c(O)ccc2ccccc12 4459950 YXRVDXKNVUCZDC-TZFJHVCASA-N 382.463 5.331 30 40 GKEB COc1ccccc1NC(=S)N/N=C(\C)c1ccc(-c2ccccc2)cc1 4871773 MKITUCBYXJLVNT-LFVJCYFKSA-N 375.497 5.073 30 40 GKEB Cc1cc(Cl)ccc1/N=C1/NC(=O)/C(=C/c2cn(C)c3ccccc23)S1 5530866 SOCFKPYFLDHHSU-ZDLGFXPLSA-N 381.888 5.032 30 40 GKEB CSc1nc(NCc2ccco2)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 19820474 NDAIJNZIURTAMZ-UHFFFAOYSA-N 378.501 5.240 30 40 GKEB CCCCOc1ccc([C@H]2C(C(C)=O)=C(C)Nc3nc4ccccc4n32)cc1 20672558 CXVWXNWICBVCRH-QFIPXVFZSA-N 375.472 5.093 30 40 GKEB Cc1ccc(-c2cs/c(=N\N=C\c3ccccc3OC(F)(F)F)[nH]2)c(C)c1 35682827 CCZMXONSDJYHRW-AUEPDCJTSA-N 391.418 5.193 30 40 GKEB CCCCCCCCCCCCCCCC[C@H](O)CNCc1ccccc1 100238805 FLRODRGUDQRRAY-VWLOTQADSA-N 375.641 7.009 30 40 GKEB C=CCOc1ccc(NC(=S)NCCCSCc2ccccc2C)cc1 225601851 MAOMNPTZMGJHGY-UHFFFAOYSA-N 386.586 5.170 30 40 GKEB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1C/C(=C\c1cccc(Cl)c1)C2=O 253530049 TXSSXZKDKQSEAN-WFJQYXISSA-N 397.002 7.335 30 40 GKEB CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/c2oc(C)c(C)c2C#N)c1C 408588292 IVZVEXNSIMCEQD-DHRITJCHSA-N 389.455 5.103 30 40 GKEB COC(=O)c1ccc(/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c(C)c1 408760023 QCEXUYOLQYXFSZ-ZMOGYAJESA-N 380.875 5.593 30 40 GKEB CCCN1C(=O)/C(=C\c2cccc(OCC)c2)S/C1=N\c1ccc(C)cc1 408914308 NTZVGHRSYMGNAW-OCIPIQTLSA-N 380.513 5.408 30 40 GKEB CCOc1ccc(Cl)cc1/C=N\c1ccccc1I 409097839 NPYOEQLJSGZBNI-ZDLGFXPLSA-N 385.632 5.094 30 40 GKEB CCOc1ccc(Cl)cc1/C=N/c1ccc(Oc2cccc(Cl)c2)cc1 409116436 MLHNNTUORRVHIX-ZVHZXABRSA-N 386.278 6.935 30 40 GKEB CC[C@H](C)Oc1cccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c1 409405836 VXTCWWKWOVHVKL-SFHVURJKSA-N 397.478 5.123 30 40 GKEB O=[N+]([O-])c1ccc(Cl)c(/C=N/c2ccccc2-c2nc3ccccc3[nH]2)c1 899049 RAMALCIYEKQXCI-WSDLNYQXSA-N 376.803 5.542 30 40 GKEB Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 2740051 OZAGHDQOTXPWIM-CYBMUJFWSA-N 388.920 5.257 30 40 GKEB Cc1ccc(C(=O)O/N=C(\c2ccc(F)cc2)[C@H]2C[C@H]2c2ccc(C)cc2)cc1 5617807 FDJQKCHTNAWAAI-RFHOTIDYSA-N 387.454 5.807 30 40 GKEB C=CCn1c(SCc2nc3ccccc3s2)nnc1-c1ccc(Cl)cc1 6071187 PCHTYYCABIMNEQ-UHFFFAOYSA-N 398.944 5.687 30 40 GKEB CCOc1ccc(/N=C/c2ccc(OCc3ccccc3F)c(OCC)c2)cc1 6962552 VFRKRNIYWDJUFU-WGOQTCKBSA-N 393.458 5.953 30 40 GKEB C(=N\n1cnnc1)\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 14137659 ISVBYOXIGBLQRE-QRQIAZFYSA-N 389.462 5.285 30 40 GKEB CCc1cccc2c(/C=C3\S/C(=N\c4ccc(C)cc4)N(C)C3=O)c[nH]c12 17146094 XSLPDOIECBNPGJ-WRANEOQNSA-N 375.497 5.273 30 40 GKEB O=C1N/C(=N/c2ccccc2Cl)S/C1=C\c1c(Cl)cccc1Cl 33908064 VXNBPRRYRHVIRO-ZSOIEALJSA-N 383.687 5.538 30 40 GKEB CCCCOc1ccc(C(=O)/C=C/Nc2cc(OCC)ccc2OCC)cc1 44842964 RIXZXUJHDWJQBD-CCEZHUSRSA-N 383.488 5.471 30 40 GKEB COc1ccc2ccccc2c1/C=N/Nc1nc(-c2ccc(Cl)cc2)cs1 59387413 BHKYWZGTXUBPSU-FSJBWODESA-N 393.899 6.071 30 40 GKEB O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccs1)c1cncs1 97002221 GZDAZANKEBJKKG-CMDGGOBGSA-N 377.494 5.013 30 40 GKEB Cc1ccc(N/C=C2/C(=O)c3ccccc3N(c3ccccc3)C2=O)cc1Cl 100163206 OUCIDWJSYYJAFG-RGEXLXHISA-N 388.854 5.505 30 40 GKEB C=CCOc1ccc(NC(=S)N[C@@H](CC(C)C)c2ccc(OC)cc2)cc1 225500888 DDVOICQJRLZTNA-NRFANRHFSA-N 384.545 5.334 30 40 GKEB C=CCOC(=O)c1cc(-c2ccc(OC)cc2)nc2ccc(Br)cc12 226360231 HINPTQMIGCCDFB-UHFFFAOYSA-N 398.256 5.016 30 40 GKEB C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H](OCc3ccccc3)CC[C@H]12 253617310 QEMRLLBWDDHJTM-HGJFOVQVSA-N 376.540 5.880 30 40 GKEB CCOc1cc(C#N)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408537422 DXPLDXCFDPYMLT-UHFFFAOYSA-N 386.713 5.330 30 40 GKEB N#Cc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4Cl)nc3c2)c(F)c1 408622644 QFLIMHSAELXDPG-UHFFFAOYSA-N 391.789 5.411 30 40 GKEB Cc1cc(/C=N\c2cccc(Cl)c2Cl)c(C)n1-c1cccc([N+](=O)[O-])c1 408785801 ZMEYIJNUOQQEKU-JJFYIABZSA-N 388.254 6.060 30 40 GKEB COc1ccc2c(c1)Cc1sc(/N=C\c3c(Cl)cccc3Cl)nc1-2 409041649 KINCOOIFXQBKQT-NKVSQWTQSA-N 375.280 5.780 30 40 GKEB FC(F)(F)c1ccc(N/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)nc1 409107583 RZRKQLWKPROUSS-NSKAYECMSA-N 399.294 5.825 30 40 GKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3cccc(C(F)(F)F)c3)c2C#N)C1 409203314 VKTLXYLHXUMTDJ-HSXIXURASA-N 390.474 6.540 30 40 GKEB O=C(c1ccc(Cl)c(C(F)(F)F)c1)C(F)(F)C(F)(F)C(F)(F)F 575361152 SGJGYCKWSQGIAA-UHFFFAOYSA-N 376.577 5.374 30 40 GKEB COc1ccc(/C=N/c2nc(C(F)(F)F)c(-c3ccc(F)cc3)s2)cc1 1435748 XHNFHCCJSFIIFO-AUEPDCJTSA-N 380.366 5.727 30 40 GKEB Fc1ccc(-c2nc3cc(/N=C/C=C/c4ccc5c(c4)OCO5)ccc3o2)cc1 1879437 IFHLYRHAVRNCRR-NUPZDWQCSA-N 386.382 5.778 30 40 GKEB O=C1c2ccccc2N[C@H](c2ccccc2Cl)N1/N=C/c1ccccc1Cl 2747197 RETUTRLONCAMOX-AFEQLLIESA-N 396.277 5.594 30 40 GKEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(OC)c2)C[C@@H]1c1ccc(C(C)C)cc1 4919111 PFHATXYHMZUSRK-VWNXMTODSA-N 392.495 5.138 30 40 GKEB N#CCCSc1nnc(Cc2cccc3ccccc23)n1C1CCCCC1 6940941 OVQNQOGGKGKNSR-UHFFFAOYSA-N 376.529 5.533 30 40 GKEB N#Cc1ccccc1Cn1cc(/C=N/NCc2ccc(Cl)cc2)c2ccccc21 10118875 BXLLNFKCNFZNNW-RWPZCVJISA-N 398.897 5.338 30 40 GKEB O=C1/C(=C/c2ccsc2)CN(Cc2ccccc2)C/C1=C\c1ccsc1 19818631 CDRLJUFULNRCIK-CLVAPQHMSA-N 377.534 5.362 30 40 GKEB CSc1nc(Nc2ccc(Cl)cc2)c(C#N)c(-c2ccc(Cl)cc2)n1 19820484 IDLUIPQOXHOAGI-UHFFFAOYSA-N 387.295 5.788 30 40 GKEB CCCCCCCCCCCC(=O)Nc1nc(-c2ccc(OC)cc2)cs1 100579768 JOVYNCMMKMSDAQ-UHFFFAOYSA-N 388.577 6.678 30 40 GKEB COc1cc(/C=C/C(=O)c2ccccc2)ccc1OCc1cccc2ccccc12 408622458 PKTDNQCEFIAPNF-JQIJEIRASA-N 394.470 6.324 30 40 GKEB CCc1ccccc1-n1c(C)cc(/C=N/c2ccc(C(=O)OC)c(Cl)c2)c1C 408965403 GXIWESCNMYXCRS-AFUMVMLFSA-N 394.902 5.847 30 40 GKEB Cc1cc(C)cc(/N=C/c2c(C)c(/C=N/c3cc(C)cc(C)c3)n3ccccc23)c1 408973724 QDMQVAOMYAVAIU-LPHFKDDMSA-N 393.534 6.983 30 40 GKEB CC[C@@H](C)Oc1ccccc1/C=N\c1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 409209352 GEFJPKNQFZTQJG-PYNDGTMRSA-N 394.584 6.699 30 40 GKEB O=C(c1ccc(C(F)(F)F)cc1Cl)C(F)(F)C(F)(F)C(F)(F)F 575361453 GPGDWMHWUYPMCF-UHFFFAOYSA-N 376.577 5.374 30 40 GKEB C=CCN1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)SC1=S 1242934 CIWRGAYFVJSDPT-UVTDQMKNSA-N 393.942 5.471 30 40 GKEB COc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(SCC#N)n2)cc1 2073108 ZMXOASMCVHJNNJ-UHFFFAOYSA-N 391.883 5.565 30 40 GKEB N#Cc1c(NC(=O)c2ccccc2Br)sc2c1CCCCCC2 2733655 IQAOLEYXXDUWSE-UHFFFAOYSA-N 389.318 5.294 30 40 GKEB CC(C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(C#N)cc4F)c3)nc2c1 12651255 ZREIWXREXCATQW-UHFFFAOYSA-N 399.425 5.881 30 40 GKEB Cc1cccc(C)c1/N=C1\N=C(S)N(c2ccccc2)[C@]12CCOC(C)(C)C2 17138319 XOQWQVNJXRZWGS-QHCPKHFHSA-N 393.556 5.467 30 40 GKEB Clc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1 59471639 KELVDCOUUNGIGF-UBYIUWKDSA-N 384.910 6.917 30 40 GKEB CCOc1ccc(-c2nc(N/N=C3/C[C@H]4CC[C@@]3(C)C4(C)C)sc2C)cc1 102977202 YOKLJHCYODIKQE-JOKAJGDRSA-N 383.561 6.131 30 40 GKEB C=CCOc1cccc(NC(=S)NC2(CCc3cccc(C)c3)CCCC2)c1 225868847 WKZXYNNEPQUUIW-UHFFFAOYSA-N 394.584 5.792 30 40 GKEB CCN(CC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2)c1ccccc1 408546974 HZHCLXWMIKXDKV-INIZCTEOSA-N 395.572 5.236 30 40 GKEB O=C1/C(=C/c2ccc(Sc3cccc4cccnc34)o2)Sc2ccccc21 408992949 UFRBZIUQCZZPQZ-UYRXBGFRSA-N 387.485 6.309 30 40 GKEB COc1ccc(/C=N\c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1Cl 409089513 IVPLUWPKLWDOGX-KPQXCZDLSA-N 386.948 6.183 30 40 GKEB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/c2cccc(Cl)c2C)cc1 409201176 KEGSKEZZCMALFC-OEAKJJBVSA-N 399.899 5.475 30 40 GKEB Cc1ccc(/N=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cc1 409214599 YKWHUBNXKOJPDG-BKUYFWCQSA-N 377.356 5.354 30 40 GKEB Oc1ccc(/N=N/c2ccc(Cl)cc2)cc1/C=N/c1cccc2ccccc12 4615566 QZJGUQMMXHNPSY-RVTFTXCGSA-N 385.854 7.365 30 40 GKEB CCC/N=C1/Sc2nc3cc(C)c(C)cc3cc2CN1CCc1ccccc1 4858993 CCMCLRMSBNEEJB-OCOZRVBESA-N 389.568 5.768 30 40 GKEB CCCCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCCC)n2)cc1 6026229 RYEAHTCJGPHZBK-UHFFFAOYSA-N 394.462 6.320 30 40 GKEB Cc1ccccc1/N=C/c1cc(Br)ccc1OCc1ccccc1 8570854 BZKKIPMBDAAZJK-OEAKJJBVSA-N 380.285 6.087 30 40 GKEB CCCCCCOc1ccccc1/C=N/Nc1nc(C)c(C(=O)OCC)s1 11992768 JKIDIAUYRAAVIK-KGENOOAVSA-N 389.521 5.033 30 40 GKEB Sc1nnc(-c2ccc(Cl)cc2Cl)n1/N=C\C=C\c1ccccc1 12466183 CMPZRKCMQAFYNY-AREPWMROSA-N 375.284 5.088 30 40 GKEB C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1ccc(F)cc1 36253947 LMRXOUAVWALNLI-HNNXBMFYSA-N 376.456 5.340 30 40 GKEB CCCCCCC[C@H](CC)OC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 98001394 UJIYTUFHEQNFHL-QHCPKHFHSA-N 395.543 6.543 30 40 GKEB Cc1cc(/C=C2\SC(=N)[C@H](c3nccs3)C2=O)c(C)n1-c1ccc(F)cc1 135887557 BYNTXENZCWQUGO-GRXGRPPOSA-N 397.500 5.108 30 40 GKEB C=CCOc1ccc(NC(=O)C2(C)COC3(CCCCC3)OC2)c2ccccc12 225915900 JUJBETZEVSVOOW-UHFFFAOYSA-N 395.499 5.057 30 40 GKEB Cc1ccc(COc2ccccc2/C=N/c2ccc(N3CCOCC3)cc2)cc1 408931585 NNVCEJMZNMGKJK-NLRVBDNBSA-N 386.495 5.161 30 40 GKEB C=C[C@H](C)N1C(=O)S/C(=C\c2ccc(Sc3ccc(C)cc3)cc2)C1=O 409239787 FEJFLJKNECIMJW-CCNLRRDASA-N 381.522 5.757 30 40 GKEB N#Cc1c(/N=C/c2ccc(Br)o2)oc(-c2ccco2)c1-c1ccco1 409380118 IKYJPWWSLBWWSU-UFFVCSGVSA-N 397.184 5.777 30 40 GKEB C=C(C)Cn1c(SCCC)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 2372328 ZRPRMBSRVAABAF-UHFFFAOYSA-N 394.584 5.747 30 40 GKEB biogenic O=C1C[C@@H](c2ccco2)CC2=C1[C@H](c1ccc(F)cc1)n1c(nc3ccccc31)N2 4386434 XCMUYWXEEBJOJC-WNSKOXEYSA-N 399.425 5.184 30 40 GKEB COC(=O)c1c(C)[nH]c(C(=O)/C=C/c2ccc(Oc3ccccc3)cc2)c1C 4785720 NAUGZDNILZDCTP-SDNWHVSQSA-N 375.424 5.107 30 40 GKEB C/C(=N\Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(-n2ccnc2)cc1 4863963 ZGJFNVNYVSBEHU-WYMPLXKRSA-N 378.785 5.381 30 40 GKEB CCCCCCCSC[C@H](Cc1ccc(Cl)cc1Cl)n1ccnc1 8442130 XSCGRABXAGFDCZ-SFHVURJKSA-N 385.404 6.677 30 40 GKEB Cc1nc(CSc2ccccc2C(=O)OCc2ccc(C#N)cc2F)cs1 10574540 UJLNPVITRVUENJ-UHFFFAOYSA-N 398.484 5.112 30 40 GKEB CCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 12660691 XMMKRJBCWGTPOS-UWKHZERDSA-N 386.576 5.866 30 40 GKEB biogenic Cc1cccc(N2C(S)=N/C(=N\c3ccccc3C)[C@]23CCOC(C)(C)C3)c1 17147272 OFSZASWJBNBWLR-HSZRJFAPSA-N 393.556 5.467 30 40 GKEB c1ccc(N/N=C2\CCCC[C@@]23C[C@@H]2CCCCC2=NN3c2ccccc2)cc1 17206417 ZWMBAKDHUIYDKE-ROQGBUDQSA-N 386.543 6.224 30 40 GKEB O=[N+]([O-])c1ccc(Sc2ccc(/N=C/c3cccn3-c3ccccc3)cc2)cc1 59249683 JSAAYZARIHNOKC-JJIBRWJFSA-N 399.475 6.287 30 40 GKEB Cc1cc2c(cc1/C=N/c1ccc(Oc3ccccc3)cc1)[C@@H](C)CC(C)(C)N2C 198080585 YIYGTOGVENTODQ-FNVGFWRISA-N 398.550 7.260 30 40 GKEB CC(C)COc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)c(C#N)c1 225756285 VCCXBRQQOUUFJS-UHFFFAOYSA-N 376.500 5.434 30 40 GKEB Cc1cc(C)cc(-n2c(C)cc(/C=N/OCc3cccc([N+](=O)[O-])c3)c2C)c1 408595921 XTSXBZQXHUDWAZ-YDZHTSKRSA-N 377.444 5.170 30 40 GKEB N#Cc1c(/N=C/c2cc(/N=N/c3ccccc3)ccc2O)sc2c1CCCC2 408740227 JIPXDHPMKBENDZ-IPIVFHEZSA-N 386.480 6.370 30 40 GKEB C[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccccc2)S/C1=N\c1ccccc1 408905817 FEYGPIKWSMHEKB-LHTYSGNRSA-N 384.504 6.052 30 40 GKEB COCCCN1C(=O)/C(=C/c2ccc(Cl)s2)S/C1=N\c1ccccc1 408941423 VTTYAMHMGUYGCQ-WOWDFQAJSA-N 392.933 5.042 30 40 GKEB Cc1ccc(/N=C\c2cccc(OCc3ccc(Br)cc3)c2)cc1 409216222 GGDUSRNXUPDNLM-UCQKPKSFSA-N 380.285 6.087 30 40 GKEB Oc1ccc(Cl)cc1/C=N\c1ccccc1/N=C\c1cc(Cl)ccc1O 4530076 CSIRXWCKACJTAW-CBSQCECLSA-N 385.250 5.906 30 40 GKEB COc1ccc(/C(C)=N/Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1 5002601 XQBGZEDWJNRYNQ-MTDXEUNCSA-N 394.478 5.655 30 40 GKEB Clc1cccc(/C=N/Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c1 5008130 CFBUPVDAJFRSKY-DNTJNYDQSA-N 382.703 6.216 30 40 GKEB C/N=c1\scc(-c2ccc(F)cc2)n1/N=C(\C)c1ccc(Cl)cc1Cl 6303059 SBXCWVKCQAFKPN-AISKWGILSA-N 394.302 5.465 30 40 GKEB CCOc1cc(/C=N/c2ccccc2)cc(Cl)c1OCc1cccc(F)c1 6959870 OHQKJTVDIGJULX-AFUMVMLFSA-N 383.850 6.207 30 40 GKEB N#Cc1nc(-c2ccc(COc3ccc(Cl)cc3)o2)oc1N1CCCCCC1 8844522 VJHAHPJHIMKPSM-UHFFFAOYSA-N 397.862 5.419 30 40 GKEB CC/C(C)=N\Nc1nc2cc(C)c(NC(=O)c3ccccc3C)c(C)c2s1 72228577 QPIYZYZIWSXFOI-OYKKKHCWSA-N 380.517 5.672 30 40 GKEB CCCCCCCCCCCCC(CCCCCCCCCCCC)C(=O)O 97978582 VGYLKAYTYZXMTA-UHFFFAOYSA-N 396.700 9.309 30 40 GKEB in-vitro Cc1ccc(-c2nc3cc(/N=C/C=C/c4cccc([N+](=O)[O-])c4)ccc3o2)cc1 100501553 DCWUMBICCMQXAO-HRLJDNPUSA-N 383.407 6.127 30 40 GKEB CCCCCCCCCCCCCCCCCCS(=O)(=O)C[C@@H](O)CO 104382106 AOWBDZQRLRUZSD-NRFANRHFSA-N 392.646 5.016 30 40 GKEB Cc1cccc(/N=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C 409207844 BEAORQTWBOTOPM-LPYMAVHISA-N 391.383 5.663 30 40 GKEB Cc1cc2c(cc1C)N[C@@H](c1cccc(Br)c1)C1=C(CCCC1=O)N2 1389125 NCUAILNIBJDZIX-NRFANRHFSA-N 397.316 5.652 30 40 GKEB CCCCCCCCCn1c2ccc(Cl)cc2c2nc3ccccc3nc21 2450382 QHKIANFPKMABGN-UHFFFAOYSA-N 379.935 7.142 30 40 GKEB Fc1ccc(-c2nc3cc(/N=C/c4ccc(Cl)cc4)ccc3o2)c(Cl)c1 3113939 DLALPZMMXUDWFF-BHGWPJFGSA-N 385.225 6.691 30 40 GKEB Cc1cccc(C)c1/N=C1\C2=CC=CC3=CC=C[C@@H](\C1=N/c1c(C)cccc1C)[C@@H]32 4293454 YPOGTCIJJHJVON-GMXYDDLRSA-N 390.530 7.004 30 40 GKEB COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3c2c(C)nn3-c2ccc(C)cc2)cc1 4948710 MTYLEEUGBASGCQ-QHCPKHFHSA-N 399.494 5.062 30 40 GKEB C[C@H]1CCc2c(sc(/N=C/C(Br)=C/c3ccccc3)c2C#N)C1 5444538 NJOWNWZHZWXHSL-KZOVBDCVSA-N 385.330 5.883 30 40 GKEB C=CCSc1nc(Oc2ccccc2)c2sc3nc(C)cc(C)c3c2n1 5697952 ZGXCTXVBXOTWOL-UHFFFAOYSA-N 379.510 5.927 30 40 GKEB CCOc1cc(Cl)cc(/C=N/c2cccc(-c3nc4ncccc4o3)c2)c1O 6710477 DKPXMCQHCPASSE-WYMPLXKRSA-N 393.830 5.398 30 40 GKEB CCOc1cc(/C=N/c2ccccc2)cc(Cl)c1OCc1ccccc1F 6959934 OQFJEUNHBSAUNA-AFUMVMLFSA-N 383.850 6.207 30 40 GKEB Cc1ccccc1/N=C/c1ccc(OS(=O)(=O)c2ccccc2)c(Cl)c1 8570884 RTJKFPVWINAYPM-HYARGMPZSA-N 385.872 5.167 30 40 GKEB O=C1CCCC2=C1[C@H](c1cccs1)N(Cc1ccccc1)c1ccccc1N2 21722484 NVCXNOQXVFZHRB-DEOSSOPVSA-N 386.520 5.929 30 40 GKEB CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCC 86050951 IIGMITQLXAGZTL-UHFFFAOYSA-N 396.700 9.152 30 40 GKEB CCCCCCCCCOc1ccc(/C=C2/C[C@H](CCCCC)OC2=O)cc1 100928765 CNHBNUVSBSVBPO-SFPLQAFVSA-N 386.576 7.095 30 40 GKEB CCCCCCCC/C=C\CCCCCCCC(=O)NCCN1CCCCC1 104110103 CXQLAPZPEQBSGL-KTKRTIGZSA-N 392.672 6.626 30 40 GKEB N#Cc1cn(C(=O)c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c2ccccc12 226361857 URXOGQKNNSPGDW-UHFFFAOYSA-N 391.770 5.023 30 40 GKEB CCN1C(=O)/C(=C\c2ccc(C(C)C)cc2)S/C1=N\c1cc(C)ccc1C 408911401 NKCKBPAZXRSXFY-NFEGURHZSA-N 378.541 6.051 30 40 GKEB COc1cc(/C=N\c2ccccc2Cl)ccc1OCc1ccc(C(=O)O)cc1 408968370 YENKZEKLRRCYAW-CFRMEGHHSA-N 395.842 5.376 30 40 GKEB Oc1ccccc1/C=N/c1c(-c2ccc(Cl)cc2Cl)nc2ccccn12 1021294 XOVOCXRWJGACKI-FSJBWODESA-N 382.250 5.764 30 40 GKEB O=[N+]([O-])c1cc(/C=N/c2ccc3oc(-c4cccc(F)c4)nc3c2)ccc1Cl 1433915 RVOXKYNILRLGIT-FOKLQQMPSA-N 395.777 5.946 30 40 GKEB Cc1ccccc1-c1nc2cc(/N=C/c3c(Cl)cccc3Cl)ccc2o1 2053661 LASFQMAVXCYDFP-WYMPLXKRSA-N 381.262 6.861 30 40 GKEB O=C1ON=C(c2ccccc2)/C1=C/c1cccc(OCc2ccccc2Cl)c1 4520971 NOWGYTKMJOKDTG-ZHZULCJRSA-N 389.838 5.264 30 40 GKEB CC(=O)Nc1ccc(S[C@H](C)C(=O)/C=C2/N(C)c3ccccc3C2(C)C)cc1 11392494 UQLJZOYIIFJPSV-QQHUYRGFSA-N 394.540 5.006 30 40 GKEB O=C1/C(=C\c2coc3c(Cl)cc(Cl)cc3c2=O)Sc2ccccc21 15231471 GTEVRVQQNPLATQ-PJQLUOCWSA-N 375.232 5.429 30 40 GKEB COc1ccc(Br)c(/C=N\c2ccc(Cl)c(Cl)c2)c1O 16215706 WAFKVCFFZNYXAQ-WSVATBPTSA-N 375.049 5.221 30 40 GKEB CC(C)c1ccc2nc(SCC(=O)Nc3ccccc3F)c(C#N)cc2c1 35316019 ANYVOFXPGBIXTO-UHFFFAOYSA-N 379.460 5.100 30 40 GKEB Cc1cccc(N=C2NC(=O)/C(=C/c3cc(C)n(C4CCCC4)c3C)S2)c1C 408775954 KVZZWDYBLJWLRD-BKUYFWCQSA-N 393.556 5.728 30 40 GKEB COc1ccc(Br)c2c1-c1nc(/N=C/c3ccccc3)sc1C2 409044232 UQVKOMGUPQOFGA-KEBDBYFISA-N 385.286 5.236 30 40 GKEB Cc1nnc(CNc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)s1 540193377 RTBYETLUOXCMGS-UHFFFAOYSA-N 390.390 5.141 30 40 GKEB N#Cc1ccccc1CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 671317 YRBSULBARPORAC-UHFFFAOYSA-N 380.476 5.370 30 40 GKEB CCc1cccc(CC)c1NC(=O)CSc1nc2cc(C)ccc2cc1C#N 786879 CAKSFDZNFUACHS-UHFFFAOYSA-N 389.524 5.271 30 40 GKEB CSc1nc2ccc(/N=C/c3ccc(-c4ccc(Cl)cc4)o3)cc2s1 1056005 PQIVUDSFDQVYOL-SRZZPIQSSA-N 384.913 6.682 30 40 GKEB C#CCn1c(SCc2ccc(F)cc2)nc(-c2ccccc2)c1-c1ccccc1 3047391 VSVOOCVURAGHNX-UHFFFAOYSA-N 398.506 6.282 30 40 GKEB O=C(/C(=C(\C(=O)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 4791997 BNSSPRIZPRPVAS-QPLCGJKRSA-N 388.466 6.363 30 40 GKEB O=C(/C=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccc2ccccc2c1 5214813 GTRCWJNLUCEJEM-DHZHZOJOSA-N 393.269 7.303 30 40 GKEB CCCCCC/C(C[C@H](SCC)c1ccccc1Cl)=N\NC(N)=S 5553138 AJBTYTVSUDZURP-JPOGYNCRSA-N 386.030 5.684 30 40 GKEB N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SC(=O)c1ccco1 5589926 GSQFJURVMJRGAD-UHFFFAOYSA-N 382.444 5.813 30 40 GKEB COc1ccc(/C=C2\C[C@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]3(C)C2=O)cc1 10272249 QMUTWRBFFVDYDU-IHUJNQPGSA-N 388.507 5.520 30 40 GKEB CC(C)c1ccc2nc(SCC(=O)Nc3cccc(F)c3)c(C#N)cc2c1 35288888 YRQWLUPJSHAJGJ-UHFFFAOYSA-N 379.460 5.100 30 40 GKEB CC(C)c1ccc(/C=[N+](\[O-])c2ccc(-c3nc(-c4ccccc4)no3)cc2)cc1 80343909 AKSNRLMKUYGMQC-YUMHPJSZSA-N 383.451 5.788 30 40 GKEB C=CCOc1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1 225675721 KVZPACCZUWVWMJ-LJQANCHMSA-N 382.529 5.149 30 40 GKEB COc1ccc(Br)c(C=Nc2cc(-c3ccccc3)ccc2O)c1O 257345401 KGCKSSIEWITCDJ-UHFFFAOYSA-N 398.256 5.287 30 40 GKEB C=CCOc1ccc2ccccc2c1/C=C1\SC(=Nc2ccccc2)NC1=O 408528024 CAPGWFKVNHHOBF-QNGOZBTKSA-N 386.476 5.296 30 40 GKEB O=[N+]([O-])c1cc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)ccc1O 408904838 PJCSVEUFSZHJFN-ZVHZXABRSA-N 376.456 5.519 30 40 GKEB CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@H](C)CC)C2=O)cc1 408915895 RNRJSURLDGOQEP-JJDFSSEZSA-N 394.540 5.796 30 40 GKEB Cc1cc(/N=C/c2c#cc(OCc3ccccc3C)cc2)n(-c2ccccc2)n1 409025879 ZHQJHLUNHNMUMA-YZSQISJMSA-N 379.463 5.419 30 40 GKEB C/C(=N\OC(=O)Nc1ccccc1)c1sc(-c2ccc(Cl)cc2)nc1C 1406836 IKJBISJMJZOZAB-YDZHTSKRSA-N 385.876 5.745 30 40 GKEB Cc1ccc(-c2nc3cc(/N=C/c4cc(Cl)ccc4O)ccc3o2)cc1C 1445297 YWPZWJJROAFGPC-WYMPLXKRSA-N 376.843 6.221 30 40 GKEB COc1ccc(C(=O)/C=C/c2cccc(OCc3cccc4ccccc34)c2)cc1 7939573 UPJLVZHHBOJACP-SFQUDFHCSA-N 394.470 6.324 30 40 GKEB COc1ccc2c(c1)CCc1sc(/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)nc1-2 59459286 DRFMIOGMJWGDAJ-UFFVCSGVSA-N 399.859 5.230 30 40 GKEB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\c1ccc(F)cc1 100870593 XZWUGWAIVKGTRA-YGUNLJQTSA-N 390.502 5.863 30 40 GKEB O=C(/C=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1ccccc1 408618147 CINOCWQVUJMLAQ-XNTDXEJSSA-N 393.280 5.924 30 40 GKEB Cc1cc(/C=N/c2ccc(Br)cc2)c(C)n1-c1ccc(N(C)C)cc1 408739275 ASAHLWTXODLTQL-OEAKJJBVSA-N 396.332 5.673 30 40 GKEB C=CCn1cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)c2ccccc21 408765254 UXJAKOPNEUAPGO-STZFKDTASA-N 387.508 5.281 30 40 GKEB Cc1ccc(/N=C\c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1C 408809858 SICIUPNYRLKEOG-QFEZKATASA-N 392.886 5.725 30 40 GKEB Cc1ccc(COc2ccc(Br)cc2/C=N/c2ccc(C)cc2)cc1 409208211 AJWQGGJSXXCXPJ-ZVHZXABRSA-N 394.312 6.396 30 40 GKEB CCCCCCCSc1nc(N)c2c3c(sc2n1)C[C@@H](C(C)(C)C)CC3 2292101 OWUDOGKZSAEKLJ-AWEZNQCLSA-N 391.650 6.487 30 40 GKEB COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@@H]43)cc2)cc1 4181727 DBKKKIRVRISFJD-XGTJUPEUSA-N 394.518 6.581 30 40 GKEB CCCCN1C(=O)/C(=C/c2c[nH]c3ccccc23)S/C1=N\c1ccccc1 4699521 IOYJVJOSNPUXJC-NJMAKWBESA-N 375.497 5.572 30 40 GKEB Cc1ccc(/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1C 5546607 DDNMHMHEDWESGM-LPYMAVHISA-N 391.383 5.663 30 40 GKEB C=CCn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1cccs1 6317572 VFKBLOWAMLWHED-UHFFFAOYSA-N 381.448 5.504 30 40 GKEB COc1ccc(/N=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2)cc1 8116462 VDQCFIDVVQPGNC-ZVHZXABRSA-N 394.858 5.117 30 40 GKEB CC(C)c1ccc(/C=C2\Oc3cc(OCC(=O)OC(C)(C)C)ccc3C2=O)cc1 9530787 JEVOWQRFYAPGGO-MTJSOVHGSA-N 394.467 5.147 30 40 GKEB N#Cc1ccc(CSc2nnc(-c3ccc(Cl)cc3)c3ccccc23)cc1 12249711 HOMKQJKKVZXFPD-UHFFFAOYSA-N 387.895 6.114 30 40 GKEB C=CCN(C(=O)[C@@H]1Cc2ccccc2S1)c1nc(-c2ccccc2)cs1 14055278 PDPSIEGIRUGHMK-IBGZPJMESA-N 378.522 5.046 30 40 GKEB N#C[C@@H](C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc2ccccc2o1 41545424 XOTZTIICHZLYLX-LBPRGKRZSA-N 398.262 5.355 30 40 GKEB Cc1c(Br)c(/C=N/c2cccc(C(=O)O)c2)c(C)n1-c1ccccc1 59104598 QTQKKSUDHNCWAT-WSDLNYQXSA-N 397.272 5.305 30 40 GKEB O=[N+]([O-])c1ccc(/C=N\[C@H]2CCCc3c2[nH]c2ccc(Br)cc32)cc1 101094688 FEDSOFNUAPJYJU-DUQUIBLKSA-N 398.260 5.335 30 40 GKEB CC/N=C1\S/C(=C\c2ccc3c(c2)C(C)=CC(C)(C)N3C(C)C)C(=O)N1CC 223486012 GZHYDRVHODPRRW-AQWOHROKSA-N 397.588 5.409 30 40 GKEB O=[N+]([O-])c1cccc(CO/N=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1 408594113 SGOSMXFPGZKYSL-FBHDLOMBSA-N 391.210 5.712 30 40 GKEB C[C@H](c1ccccc1)N1C(=O)/C(=C\c2cccs2)S/C1=N\c1ccccc1 408906976 FMDFTTVBIPEDLU-YVASXTLYSA-N 390.533 6.113 30 40 GKEB CCc1ccccc1/N=C1\S/C(=C/c2cccc3ccccc23)C(=O)N1CC 408915154 PHISWEYBXMXVNV-FTJNEJEMSA-N 386.520 6.026 30 40 GKEB Cc1cc(/C=N\c2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc2ncccc2c1 408967218 RASJNKJEYNDMIA-ZMFRSBBQSA-N 394.305 6.700 30 40 GKEB N#Cc1c(-c2ccc(-c3cc(Cl)ccc3Cl)o2)c2c([nH]c1=N)CCCC2 408982722 YUGCMQBNDHPLNK-UHFFFAOYSA-N 384.266 5.478 30 40 GKEB CCOc1ccc2ccccc2c1-c1c(-c2ccccc2)c(C)[nH]c(=N)c1C#N 408982837 ZJKDFAMWTVZKGI-UHFFFAOYSA-N 379.463 5.560 30 40 GKEB Cc1c2ccccc2c(/C=C2/SC(=Nc3ccccc3)NC2=O)c2ccccc12 409003273 ZCBLMOCZRIQAIK-HZHRSRAPSA-N 394.499 6.193 30 40 GKEB CCOc1ccc(/C=N\n2c(-c3ccc(C(C)(C)C)cc3)n[nH]c2=S)cc1 2361438 RNPNZCALEQUMML-HMAPJEAMSA-N 380.517 5.186 30 40 GKEB Oc1ccc(Cl)cc1/C=N/c1cc(C(F)(F)F)ccc1Oc1ccccc1 3095300 ZUSSLKKODVLJLY-BRJLIKDPSA-N 391.776 6.607 30 40 GKEB CCC(=O)Nc1ccc(/N=C/c2cc(Br)cc(C)c2O)cc1Cl 4588780 DHHJZTZMNWYDDB-AWQFTUOYSA-N 395.684 5.216 30 40 GKEB Cc1ccc(-n2c(C)cc(/C=N/Nc3cc(C)c4ccccc4n3)c2C)c(C)c1 5570774 UUNHZLWEPJUZSU-CVKSISIWSA-N 382.511 6.014 30 40 GKEB Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccccc4Cl)ccc3C2=O)o1 13768451 ZMFJYKQJYBGROF-ODLFYWEKSA-N 380.783 5.077 30 40 GKEB CCCCCCCCCCCCNC(=O)C(=O)Nc1cccc(Cl)c1C 33354697 RVIDLWIKMBCTSR-UHFFFAOYSA-N 380.960 5.624 30 40 GKEB COc1ccc(/C=N\c2ccc(/N=C/c3ccc(OC)cc3)c(Cl)c2)cc1 96593002 KWCWSEUAQYYHCC-WJVNUPORSA-N 378.859 5.858 30 40 GKEB CCCCc1ccc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 101470784 WNEROZHQBYEGFG-UHFFFAOYSA-N 380.250 5.680 30 40 GKEB O=C(NCc1ccco1)c1c(/N=C\c2ccc(F)cc2)sc2c1CCCC2 408850161 HEPHGNTWZHWJFJ-MSXFZWOLSA-N 382.460 5.040 30 40 GKEB O=C(c1cccc(OCc2ccccc2)c1)C(F)(F)C(F)(F)C(F)(F)F 575357077 WDHLKWGAWZYCKA-UHFFFAOYSA-N 380.259 5.281 30 40 GKEB C=CC(=O)N1C/C(=C/c2ccc(Cl)cc2)C(=O)/C(=C/c2ccc(Cl)cc2)C1 1651130 UANWMDUDDVNHJV-MJZABRMRSA-N 398.289 5.058 30 40 GKEB COc1ccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(OC)c1 3896880 CMONWUQZZQGYMH-WGOQTCKBSA-N 375.512 5.922 30 40 GKEB N#Cc1ccc(-c2csc(NC(=O)c3cc(Cl)sc3Cl)n2)cc1 4173462 GSEPFHRWJPWMRC-UHFFFAOYSA-N 380.281 5.302 30 40 GKEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(C)cc2)C[C@H]1c1c(F)cccc1Cl 4919999 BDBNDHWIWLHYRZ-KKSFZXQISA-N 386.850 5.107 30 40 GKEB CC(C)=CCOc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O 5164670 XMQMILAIYFEIKP-ODLFYWEKSA-N 375.251 5.955 30 40 GKEB C(=N/Nc1ncnc2scc(-c3ccccc3)c12)\c1ccnc2ccccc12 5561942 DZJVSKQMAQAKJV-RPPGKUMJSA-N 381.464 5.353 30 40 GKEB Oc1c(Br)cc(Cl)cc1/C=N/c1ccccc1N1CCCC1 6615543 ABFIMGUYOQSZGB-RGVLZGJSSA-N 379.685 5.159 30 40 GKEB C=CCn1c(SCCSC)nc2scc(-c3ccc(C)cc3)c2c1=O 6847608 OUHFOAQJALBSSV-UHFFFAOYSA-N 388.583 5.075 30 40 GKEB N#CC1(c2ccccc2)CCC2(CC1)Nc1ccccc1C(=O)N2c1ccccc1 8191480 UQQISNAIKDOQME-UHFFFAOYSA-N 393.490 5.491 30 40 GKEB CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1 9015463 RXPURMIEELWNNR-LJQANCHMSA-N 383.875 5.027 30 40 GKEB COc1ccccc1-c1nnc(SCc2ccc(-c3ccccc3C#N)cc2)o1 14185354 HMDJFQXZVWFQBU-UHFFFAOYSA-N 399.475 5.576 30 40 GKEB CCCCC1CCC(c2nc(C#N)c(NCC3(N(C)C)CCCCC3)o2)CC1 35673316 IYVGZZRVTIHSNL-UHFFFAOYSA-N 386.584 5.687 30 40 GKEB CSc1ccccc1/N=C/c1cc(Br)c(Br)o1 59104491 AIGDXBHTTOCGAH-VIZOYTHASA-N 375.085 5.277 30 40 GKEB C/C(=N\c1ccc(Cl)cc1)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 100643584 IPTNBUQIDYAMDV-MFKUBSTISA-N 388.854 5.490 30 40 GKEB CC1=C2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@@H]4[C@@H](C)CCCC(C)C)[C@@]2(C)CCC1=O 118927824 VWIGOBCYZDKRDK-HSOJLZTNSA-N 398.675 7.987 30 40 GKEB C=CCOC(=O)c1cc(Cl)c(OCc2ccc(C)cc2)c(Br)c1 226340401 CFLUCHOJTGRWGT-UHFFFAOYSA-N 395.680 5.333 30 40 GKEB Cc1ccc(-n2c(C)cc(/C=N/OCc3cccc([N+](=O)[O-])c3)c2C)cc1C 408595967 YHNCBSZUYNTYQQ-YDZHTSKRSA-N 377.444 5.170 30 40 GKEB N#Cc1c(/N=C/c2cc([N+](=O)[O-])cc(Cl)c2Cl)sc2c1CCCC2 408718988 DKFBCVUYUBQKTO-DNTJNYDQSA-N 380.256 5.464 30 40 GKEB C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)SC1=S 408820492 WPEQFKMIXOJUPZ-MOSHPQCFSA-N 396.581 5.605 30 40 GKEB Cc1ccc(-c2ccc(/C=N/c3ccc(C(=O)O)cc3)o2)c(Br)c1 409242703 XTLIQCCNGRXKEY-SRZZPIQSSA-N 384.229 5.466 30 40 GKEB Cc1ccc(Sc2ccc(/C=N\Nc3ccc(C(F)(F)F)cn3)cc2)cc1 409243185 ZQYSIMCAUIYBJV-ROTLSHHCSA-N 387.430 6.006 30 40 GKEB Fc1ccc(Oc2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)cc1 3041526 LROYSHLQXUBFSF-UHFFFAOYSA-N 376.231 5.599 30 40 GKEB Cc1ccc(-n2nc(C)c3c2NC2=C(C(=O)CC(C)(C)C2)[C@H]3c2ccco2)cc1 4948414 KNLAMGXQWHZMLW-QFIPXVFZSA-N 387.483 5.283 30 40 GKEB Clc1ccc2c(N/N=C/c3ccc(OCc4ccccc4)cc3)ccnc2c1 6346253 LGBKKBFTKOHKNO-CVKSISIWSA-N 387.870 5.913 30 40 GKEB Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/Nc2nc3ccccc3n2C)c1C 7343447 NGKIAUNGSUYPOO-ZMOGYAJESA-N 391.906 5.389 30 40 GKEB Cc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1 8371920 LFRXMUPHWCWTDX-AFUMVMLFSA-N 392.886 5.725 30 40 GKEB Cc1ccc(-c2csc(/C(C#N)=N\Nc3ccc(Cl)cc3Cl)n2)cc1 13408204 OQXDBNYUGRKMBO-JLPGSUDCSA-N 387.295 5.765 30 40 GKEB COc1ccccc1/C=N\c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 17079736 HEHYCANMEPRJBY-IWIPYMOSSA-N 390.508 5.638 30 40 GKEB Cc1ccc2c(c1)/C(=C1/S/C(=N/c3cccc(Cl)c3C)N=C1O)C(=O)N2C 18066100 CDMDAYBJDHRMFA-MSUUIHNZSA-N 397.887 5.035 30 40 GKEB CSc1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 19867359 WZCWFYFPLITGMZ-NLRVBDNBSA-N 399.563 5.130 30 40 GKEB Cc1ccc(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 32117134 NDUDLXXLMAKSRE-HNNXBMFYSA-N 398.597 5.810 30 40 GKEB C=CCn1c(S[C@H](C)c2cccnc2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 58109608 OTQIHQWLVJOKKM-ZIAGYGMSSA-N 397.569 5.017 30 40 GKEB Cc1ccc(-c2cc(C(=O)N(C)c3cccc(C#N)c3)c3ccccc3n2)cc1 60083723 ZPUCSDRPWPZYOY-UHFFFAOYSA-N 377.447 5.359 30 40 GKEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4C[C@]5(C)C[C@@H]4CC(C)(C)C5)[C@H]3C[C@@H]12 100743102 VXTVLBRGOQKEPU-KCENRQKYSA-N 385.592 5.201 30 40 GKEB Cc1ccc(-n2c(C)cc(/C=N\c3ccc(Br)cc3C)c2C)cc1C 101745752 QTBDHPADVFMPFL-CFRMEGHHSA-N 395.344 6.533 30 40 GKEB Cc1sc(NC(=O)c2cccc3c(Br)cccc23)c(C#N)c1C 408629304 WEZBTCGVWGPQRP-UHFFFAOYSA-N 385.286 5.405 30 40 GKEB CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccc(-c3ccccc3)cc2)c1C 408852974 XVSBTQNOMANRHS-VUTHCHCSSA-N 392.546 7.383 30 40 GKEB O=C1C(=Cc2cn(CCOc3ccccc3)c3ccccc23)C(=O)c2ccccc21 409123765 DQWUCYWHDXTXBX-UHFFFAOYSA-N 393.442 5.183 30 40 GKEB O=C1/C(=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)Cc2ccccc21 409372870 RTQFHDQBUVABCP-LDADJPATSA-N 395.285 6.395 30 40 GKEB COc1ccc(O)c([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)c1 803547 HLHWFYDUGFSXFW-HSZRJFAPSA-N 392.499 5.240 30 40 GKEB Cc1ccccc1N1C(=O)CC[C@@]1(C#N)c1ccccc1OCc1ccccc1 987627 KCFYGBILWSQYGS-RUZDIDTESA-N 382.463 5.120 30 40 GKEB CCCCCCCCCCCc1n[nH]c2c1C(=O)[C@@H](C(=O)OC)C(C)(C)C2 2420988 GQMWJZPMTJZAHW-IBGZPJMESA-N 376.541 5.037 30 40 GKEB CCCCCOc1cccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c1 4194628 GELVGCQXWOBPDR-OAHLLOKOSA-N 382.529 5.566 30 40 GKEB C=CCn1cc(/C=C2/S/C(=N\c3ccccc3)N(CC)C2=O)c2ccccc21 4661089 AXNQPNLGISYTIH-NVZLDUMVSA-N 387.508 5.451 30 40 GKEB CCCCC[C@@H](/C=N\N=C1c2ccccc2-c2ccccc21)Cc1ccccc1 5031724 GMIJPKCLNGTASU-RMTSEHLMSA-N 380.535 6.929 30 40 GKEB CC(C)(C)c1ccc(/C(=N/Oc2ncnc3ccccc23)c2ccccc2)cc1 5839546 FDDJCNVZWDSWOP-WEMUOSSPSA-N 381.479 5.759 30 40 GKEB Cc1cc(N2CCCC2)c(F)cc1/C=N/c1ccc(Oc2ccccc2C)cc1 6044917 VXJFVQNUGUHZGO-WPWMEQJKSA-N 388.486 6.586 30 40 GKEB CCc1ccc(C(=O)/C=C/N2CCC(=Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 6555756 ZRLRJIVKBDVXIX-DTQAZKPQSA-N 376.456 5.033 30 40 GKEB CCc1ccc(/N=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1 8084120 ZODQYQYIJPHNML-OGLMXYFKSA-N 399.921 7.385 30 40 GKEB Cc1ccc(/N=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1 8368838 OGIDYUIBVDWSKD-LPYMAVHISA-N 391.383 5.663 30 40 GKEB O=C1N/C(=N\c2ccc(Cl)cc2)S[C@@H]1Cc1cc(Cl)ccc1Cl 17027299 FKAPFMWPJIJLTE-CQSZACIVSA-N 385.703 5.109 30 40 GKEB COc1cccc(Nc2nc(SC)nc(-c3ccc(Cl)cc3)c2C#N)c1 19794124 PRVSESXNWKUXAQ-UHFFFAOYSA-N 382.876 5.143 30 40 GKEB CCCCCCCn1c([C@@H](C)c2ccc(CC(C)C)cc2)nc2ccccc21 50704981 CIZWPMFFZWPRDR-NRFANRHFSA-N 376.588 7.357 30 40 GKEB CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(Cl)cc1 95666215 JAGHTVVPRGFHHE-UHFFFAOYSA-N 394.043 8.540 30 40 GKEB Cc1cc(/C=N\Nc2ccccc2)cc(C)c1OCc1ccc(Cl)cc1Cl 408845541 HQWZIWXWJURVGI-MXAYSNPKSA-N 399.321 6.635 30 40 GKEB Cc1ccc(COc2ccc(Br)cc2/C=N/c2ccccc2)cc1 409213058 SAFKXWJIBBOOCG-OEAKJJBVSA-N 380.285 6.087 30 40 GKEB CC(=O)Oc1ccc([C@@H]2Sc3ccccc3NC3=C2C(=O)c2ccccc23)cc1 4417996 JUXQSIATLTZRAM-DEOSSOPVSA-N 399.471 5.478 30 40 GKEB C#CCOc1ccc2ccccc2c1/C=C1\SC(=O)N(c2ccccc2)C1=O 4694893 DXXRDKFMJJAZGZ-QNGOZBTKSA-N 385.444 5.093 30 40 GKEB Cc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@@H]43)cc2)cc1 5337320 KTKRNQZINZVBHA-XGTJUPEUSA-N 378.519 6.881 30 40 GKEB COc1cc(/C=N/NC(C)(C)C)ccc1OCc1ccc(Cl)cc1Cl 5559526 TURAPBBZTVCMFW-SSDVNMTOSA-N 381.303 5.303 30 40 GKEB CCOc1cc(/C=N/c2ccccc2)ccc1OCC(=O)Nc1cccc(C)c1 6960850 DEUCXTLCLDMXJF-PCLIKHOPSA-N 388.467 5.162 30 40 GKEB N#Cc1ccc(-c2ccc(OCc3csc(-c4ccc(F)cc4)n3)cc2)cc1 14845817 BCAXBLBQCOIHEG-UHFFFAOYSA-N 386.451 6.067 30 40 GKEB N#CCOc1ccc([C@@H]2Nc3c(F)cc(Br)cc3[C@@H]3C=CC[C@@H]32)cc1 59267164 YUZWDWMLNKUICX-GJYPPUQNSA-N 399.263 5.317 30 40 GKEB O=C1/C(=C/c2ccc(Cl)cc2)S/C(=N/c2ccccc2)N1C1CCCC1 100398789 QJHGBQKMCMTSOX-QUUARBKMSA-N 382.916 5.887 30 40 GKEB COc1cc(/C=N/c2ccccc2Cl)ccc1OC(=O)c1ccc(F)cc1 100889453 LRJKDCPZTDQZOA-ZMOGYAJESA-N 383.806 5.458 30 40 GKEB CC(=O)[C@@H]1[C@H](c2ccccc2F)C(=C(/C)O)/C(=N/c2ccc(C)cc2)C[C@@]1(C)O 101406893 DIANDPRMUBIILF-UAUJJRCRSA-N 395.474 5.182 30 40 GKEB CCCC/C=N\NC(=S)NCCCCCCCCCCCCCCCC 104376907 IONSLGUKLOCFAL-FLFQWRMESA-N 383.690 7.108 30 40 GKEB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CC/C2=N\N=C\c1ccc(F)cc1 245229439 XZWUGWAIVKGTRA-APTBVQDRSA-N 390.502 5.863 30 40 GKEB O=[N+]([O-])c1cccc(CO/N=C/c2ccc(Sc3ccc(Cl)cc3)o2)c1 408592676 NJFPYLTUBVXYRQ-RGVLZGJSSA-N 388.832 5.543 30 40 GKEB C#CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)cc1 408912021 KIPIRUGIIUODCA-NVZLDUMVSA-N 390.508 5.019 30 40 GKEB Cc1nn(-c2cccc3ccccc23)c(C)c1/C=C1\Sc2ccccc2C1=O 408995912 BZDCUTVREJXSFE-UCQKPKSFSA-N 382.488 5.972 30 40 GKEB CC[C@H](C)c1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)cc1 409090023 ODDPHNKICIZIRL-XUANBZSPSA-N 379.956 7.755 30 40 GKEB COC(=O)c1ccccc1-c1ccc(/C=N/c2cccc(Br)c2)o1 409194751 QOVNBORHZCEZCK-CIAFOILYSA-N 384.229 5.246 30 40 GKEB Cc1ccc(Cl)cc1/N=C/c1c(OCc2ccccc2)ccc2ccccc12 409218093 SOIPNZNCASRCBN-JVWAILMASA-N 385.894 7.131 30 40 GKEB Cc1ccc(-c2ccc(/C=N/c3cccc(Cl)c3C)o2)c(Br)c1 409221017 JHTLWTJKCJZGSU-SSDVNMTOSA-N 388.692 6.730 30 40 GKEB Cc1cc(-c2ccc(/C=C3\Sc4ccccc4C3=O)o2)c([N+](=O)[O-])cc1C 1231248 LSKVZJYZJMDXCO-JAIQZWGSSA-N 377.421 5.801 30 40 GKEB Cc1cc2c(cc1C)N[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(CC(C)(C)CC1=O)N2 1438843 BXUVNJVUYJUPTC-QFIPXVFZSA-N 391.471 5.434 30 40 GKEB CCc1ccc(N/N=C(\C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)cc1 4175448 GLDQKFFEHVFNHH-SZXQPVLSSA-N 388.540 5.911 30 40 GKEB O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1ccc(C(F)(F)F)cc1 5583532 BFLCQEOKWOZWHI-NTEUORMPSA-N 382.794 5.250 30 40 GKEB C=CCOc1ccc2ccccc2c1/C=N/OCc1c(Cl)cccc1Cl 6293497 QHSODXKZYFCZGN-ZMOGYAJESA-N 386.278 6.262 30 40 GKEB CCCCCOc1ccc(/N=C2\C(=O)Nc3ccc(Br)cc32)cc1 6709906 GMGGJTHEVJRLIS-UHFFFAOYSA-N 387.277 5.091 30 40 GKEB Cc1nn2c3ccccc3n(C)c2c1C(=O)/C=C/c1ccc(-c2ccccc2F)o1 8337802 BOIRNZXASLBFSH-ACCUITESSA-N 399.425 5.430 30 40 GKEB Cc1ccc(/C=C2/S/C(=N\c3ccc(Cl)c(C(F)(F)F)c3)NC2=O)o1 8550936 PSTIKFGGZURTFM-NTUHNPAUSA-N 386.782 5.152 30 40 GKEB CSc1ccc(/C=C2/S/C(=N/c3cccc(C(F)(F)F)c3)NC2=O)cc1 36245323 BWSDQNJNJQPLOU-OQLLNIDSSA-N 394.443 5.319 30 40 GKEB CC(C)c1cccc(NC(=O)C2CCN(c3c(C#N)cnc4ccccc34)CC2)c1 38654448 YNQYCATXIWBDJB-UHFFFAOYSA-N 398.510 5.085 30 40 GKEB CCCCCCCCCCOC(=O)c1nc(Cl)c(Cl)c(N)c1Cl 96022152 PPCNXZYPHVKAJI-UHFFFAOYSA-N 381.731 5.922 30 40 GKEB CCCCCCCC[C@H](Nc1ccccc1)[C@H](O)CCCCCCCC(=O)O 100696170 UPLSZYORZXQUHY-XZOQPEGZSA-N 391.596 6.394 30 40 GKEB CC(C)(O)C#CC[C@@H]1C[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl 222073617 FSEWYBKECRKVOT-NZXMKCKXSA-N 396.956 5.003 30 40 GKEB CC(C)N1c2ccc(/C=N/c3ccc(Br)cc3)cc2[C@@H](C)CC1(C)C 223569064 IBCZHUIZPNXMEZ-GCMSVZMUSA-N 399.376 6.700 30 40 GKEB N#Cc1c(-c2cccs2)cc(-c2cccs2)nc1SCc1cccnc1 803818 RPRMIBCTUUEKDI-UHFFFAOYSA-N 391.546 6.098 30 40 GKEB O=C1N/C(=N/c2ccccc2Cl)S/C1=C\c1cc(Cl)cc(Cl)c1O 1502364 CGKPKBAUPWTMTI-MLPAPPSSSA-N 399.686 5.244 30 40 GKEB CC[C@H](Oc1ccccc1)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 2742044 LXQXBWXQJRISQD-BEFAXECRSA-N 396.556 5.567 30 40 GKEB N#CCCSc1ccccc1NC(=O)COc1ccc(Cl)cc1Cl 4176944 FNOYYFYNJWUORZ-UHFFFAOYSA-N 381.284 5.017 30 40 GKEB N#CCCn1nc(-c2ccccc2)c2c1Nc1ccccc1N[C@H]2c1ccncc1 7778749 CUYBCQLIUQKLNI-QFIPXVFZSA-N 392.466 5.117 30 40 GKEB COc1ccc(/N=C/c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)cc1 8116557 FMZJWHOHVURHTH-ZMOGYAJESA-N 386.278 6.332 30 40 GKEB COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3c2ccc2ccccc32)cc1OC 12371283 FULVUKFWGMCSLL-QHCPKHFHSA-N 385.463 5.422 30 40 GKEB Cc1cccc(OCc2ccc(-c3nc(C#N)c(N4C[C@@H](C)C[C@@H](C)C4)o3)o2)c1 12418989 VRXMTDGHWUMJFA-CALCHBBNSA-N 391.471 5.176 30 40 GKEB C(=N\Cc1ccccc1)\c1ccccc1-c1ccccc1/C=N/Cc1ccccc1 16999079 RWFUQMSVHGTTMK-DWVPNOFWSA-N 388.514 6.592 30 40 GKEB Cc1ccc(/N=C/c2cc(Cl)cc(Cl)c2OC(=O)c2ccccc2)cc1C 17023243 ITBKMMTZWKUKGM-DHRITJCHSA-N 398.289 6.580 30 40 GKEB CCCCOc1ccc(C(=O)O/N=C(\C)c2ccc3c(c2)Cc2ccccc2-3)cc1 36644276 DMDNRZSOIARPKV-OVVQPSECSA-N 399.490 6.018 30 40 GKEB CCOc1ccccc1/C=C/C(=O)c1c(C)nc2ccccc2c1-c1ccccc1 58196752 HAYATCQVBMLDPX-ISLYRVAYSA-N 393.486 6.505 30 40 GKEB CC(C)=NNc1nc2cc(C)c(NC(=O)c3ccc(C)c(C)c3)c(C)c2s1 72228649 LENVDWMCTIXFKO-UHFFFAOYSA-N 380.517 5.590 30 40 GKEB O=C1/C(=C/c2ccccc2O)OCc2nc3ccccc3c(-c3ccccc3)c21 96319351 UOOQRFRNJKYYGC-HMAPJEAMSA-N 379.415 5.361 30 40 GKEB O=C(/C=C(\c1ccccc1)[C@@H]1[C@@H](c2ccccc2)[C@H]2C=C[C@H]1C2)c1ccccc1 104146777 LBHWEQWBWMJLLL-OLBPTQGHSA-N 376.499 6.559 30 40 GKEB CCCN1C(=O)/C(=C\c2ccc(OCC)cc2)S/C1=N\c1ccc(C)cc1 408907711 CEYQDBRJDWYKCY-OCIPIQTLSA-N 380.513 5.408 30 40 GKEB CC[C@@H](C)Oc1ccc(/C=N/c2cc(C(=O)OC)ccc2Cl)cc1Cl 409017105 DZFITAWVHGZFIM-VTGBELTLSA-N 380.271 5.708 30 40 GKEB C=CCc1cc(CNc2cccc(C)c2)cc(OC)c1OCc1cccc(F)c1 409119243 SDNNZXVVNHQCLV-UHFFFAOYSA-N 391.486 6.062 30 40 GKEB O=C1/C(=C\c2ccc(O)c(CN3CCCCC3)c2)CCC/C1=C\c1ccccc1 1650741 KQXDRRPPRVKAFE-VLKJOQIWSA-N 387.523 5.598 30 40 GKEB CCc1cc2c(cc1C(=O)/C=C/c1cccc3ccccc13)C(C)(C)CCC2(C)C 4276693 UNWKXBDCZWXGOH-CCEZHUSRSA-N 396.574 7.647 30 40 GKEB Clc1ccc(CN/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 10118788 VPOQFCHRRZJEMS-FOKLQQMPSA-N 379.674 6.031 30 40 GKEB CCCCCCCCCCCCCCCC[N+]1(C)CCC[C@H]1c1cccnc1 104038894 HKMWYKDCNQFYSU-QODXOHEASA-N 387.676 7.844 30 40 GKEB C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1cccs1)C2=O 245241319 ADNXMRIHODUBNW-RAXNRXCQSA-N 384.585 5.714 30 40 GKEB biogenic CCc1ccc(N=C2NC(=O)/C(=C/c3cc(Cl)cc(Cl)c3O)S2)cc1 408756531 ZQAMUDBFAUXSNN-NVNXTCNLSA-N 393.295 5.153 30 40 GKEB Cc1ccc(/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1Cl 409210119 IIPAHFPLSUIPQM-YDZHTSKRSA-N 380.831 5.886 30 40 GKEB C=CCN1C(=O)/C(=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)SC1=S 1197940 LALIEXGVNFNIII-DHDCSXOGSA-N 396.320 5.641 30 40 GKEB Sc1nnc(-c2ccc(Cl)cc2Cl)n1/N=C\c1cccc2ccccc12 1827322 GUGCGEYBYJXKLY-JJFYIABZSA-N 399.306 5.576 30 40 GKEB Cc1ccc(-n2c(SCC(=O)c3ccc(C#N)cc3)nc3ccccc32)cc1 4865249 JXJFUMAWBVAWQU-UHFFFAOYSA-N 383.476 5.181 30 40 GKEB CC(C)c1ccc(/C=N/N=C2\N=C(O)[C@@H](Cc3ccc(C(C)C)cc3)S2)cc1 9319417 TXGXNRAOWNLAOD-JHXRPTDYSA-N 393.556 5.938 30 40 GKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc4ncccc4c3)c2C)cc1 12363624 VMWQRAYSUWBPJM-JVWAILMASA-N 397.478 5.570 30 40 GKEB CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(C#Cc2ccccc2)cc1 14184627 GVGCSDIXKQSXBY-UHFFFAOYSA-N 377.846 5.151 30 40 GKEB CCCN(CCC)Cc1c(O)ccc2c1O/C(=C\c1cc3ccccc3o1)C2=O 32501341 OLZKXKQHUCMHPA-HMAPJEAMSA-N 391.467 5.377 30 40 GKEB O=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 33497533 VSNVRMORNGZESN-DEDYPNTBSA-N 390.482 6.829 30 40 GKEB CCCCCCCCCCCCCCCC[N+](C)(C)CC(=O)N1CCOCC1 100934610 DTWLFZSLOZEFQO-UHFFFAOYSA-N 397.668 5.403 30 40 GKEB N#CCc1ccc(NC(=O)c2cc(Cl)ccc2OCc2ccccc2)cc1 219762685 HZYYPRUECNJVFL-UHFFFAOYSA-N 376.843 5.237 30 40 GKEB C=CCC(C(=O)Nc1ccc(OC)c(Cl)c1)(c1ccccc1)c1ccccc1 225935887 XCPQMWNZDPYVJI-UHFFFAOYSA-N 391.898 5.850 30 40 GKEB C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@@]43C)[C@H]1C/C(=C\c1ccc(Cl)cc1)C2=O 245241522 HKMPOVRTHIXEAQ-AXDQOVJNSA-N 397.002 7.335 30 40 GKEB C#CCOc1c(Cl)cc(CNc2ccc(Cl)cc2Cl)cc1Cl 408611573 TZZOMFBELIGBRG-UHFFFAOYSA-N 375.082 5.924 30 40 GKEB CCOc1cccc(/C=C2/S/C(=N\c3c(C)cccc3C)N(CC)C2=O)c1 408905884 GAMGYHXNVGWWJZ-XGHAMVSDSA-N 380.513 5.326 30 40 GKEB Cc1ccc(/N=C2\S/C(=C/c3cn(C)c4ccccc34)C(=O)N2C(C)C)cc1 408908495 FHLOVWWYNQHEMF-GRUKXCDCSA-N 389.524 5.499 30 40 GKEB Cc1ccc(/N=C/c2c(Nc3ccc(C)c(C)c3)nc3ccccn3c2=O)cc1C 911112 IODWMLUPHFFYLC-CVKSISIWSA-N 396.494 5.422 30 40 GKEB Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(O)c2)cc1 974252 UFGIYFPSYNNRJK-AFMDSPMNSA-N 396.490 5.680 30 40 GKEB Cc1ccc(NC(=O)CSc2nc3c(C)ccc(C)c3cc2C#N)c(C)c1 976998 DLBLERMMQGQTKB-UHFFFAOYSA-N 375.497 5.071 30 40 GKEB C(=N/c1ccc(-c2nc3ccccc3o2)cc1)\c1c2ccccc2cc2ccccc12 3066503 BVPPMLDDKRFHPN-RDRPBHBLSA-N 398.465 7.552 30 40 GKEB COc1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3c2ccc2ccccc32)ccc1O 4710554 BATCJNQHQPKXCX-HSZRJFAPSA-N 399.490 5.755 30 40 GKEB Clc1ccc(-c2nc(N/N=C/c3ccccc3)c3ccccc3n2)c(Cl)c1 4827550 KUFZLSQDXDDSIO-ZMOGYAJESA-N 393.277 6.050 30 40 GKEB COc1ccc(C(=O)C2=C(C)Nc3ccc(Br)cc3S2)cc1 5499049 KZGPUVUDTQWKDW-UHFFFAOYSA-N 376.275 5.090 30 40 GKEB S=C(N/N=C/c1c2ccccc2c(Cl)c2ccccc12)NC1CCCCC1 5699400 MWYCVZAKGKWGKF-ZVHZXABRSA-N 395.959 5.777 30 40 GKEB Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)/C=C/c1ccccc1O 14181560 CMTYEEPNEOYLAB-SDNWHVSQSA-N 399.877 6.465 30 40 GKEB C[C@@H]1CCCC/C1=N/SC(c1ccccc1)(c1ccccc1)c1ccccc1 17142748 VICRXONXPPCOQD-VGTHCDORSA-N 385.576 7.278 30 40 GKEB CCCCCCCCCCn1c(/C=C/c2ccc(OC)cc2)nc2ccccc21 100933612 DKLHXIORQHAZCO-LVZFUZTISA-N 390.571 7.356 30 40 GKEB CCCCCCCCCCCCCCOC(=O)[C@@H](N)Cc1ccc(O)cc1 104270854 JQUILGRBBMHOSS-QFIPXVFZSA-N 377.569 5.506 30 40 GKEB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)C#Cc1ccccc1 118914928 RRBUVKVCPPYRAS-AIFRIFMOSA-N 388.551 5.301 30 40 GKEB COc1ccc(/C=C2/C[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CCC[C@@]5(C)CC[C@@H]43)CC2=O)cc1 118928297 LTFRLNBDXHBWRH-LBEZPOFESA-N 392.583 6.690 30 40 GKEB CC[C@H](C)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 147405701 TUMPFZQSTILVHD-YFKPBYRVSA-N 388.192 5.243 30 40 GKEB C=CCOC(=O)c1cc(Cl)c(OCc2ccc(Cl)cc2)c(OCC)c1 216830087 SOLHLFQYRUKDLR-UHFFFAOYSA-N 381.255 5.314 30 40 GKEB N#Cc1c(N=Cc2ccc(F)cc2)sc(-c2ccccc2)c1-c1ccccc1 245228726 DHIPRKPWALODEU-UHFFFAOYSA-N 382.463 6.843 30 40 GKEB COC1(O[C@@H]2CC[C@@H]3[C@@H]4CCC5=CC(=O)CC[C@@H]5[C@H]4CC[C@@]23C)CCCCC1 263604974 PDQOGUSADHBBIM-IHRMTKCFSA-N 386.576 5.820 30 40 GKEB Cc1ccc(Oc2ccc(/N=C/c3ccc(N4CCOCC4)cc3C)cc2)cc1 409064671 DJXOBNYBBKIEDF-NLRVBDNBSA-N 386.495 5.683 30 40 GKEB Clc1ccc(COc2cccc(/C=N/Nc3nc4ccccc4[nH]3)c2)cc1 409176095 HIFJXEWNWDIGEO-YDZHTSKRSA-N 376.847 5.241 30 40 GKEB Cc1cccc(/N=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c1C 409217196 TUPJVLUGHGLFQJ-XKZIYDEJSA-N 391.383 5.663 30 40 GKEB O=C1ON=C(c2ccccc2)/C1=C\c1ccccc1OCc1ccccc1Cl 1759655 WROZZYFYCZVUFR-XMHGGMMESA-N 389.838 5.264 30 40 GKEB O=C1/C(=C\c2ccc(Br)cc2)[C@H](c2ccccc2)Oc2ccccc21 3138130 BOYUWRVHTCLLJC-SLTDHEAWSA-N 391.264 5.849 30 40 GKEB CCCCCC#CC#CCCCCCCCCCOc1ccc([N+](=O)[O-])cc1 4187174 FBCGUJGNXAYFRK-UHFFFAOYSA-N 383.532 6.682 30 40 GKEB COc1ccc([C@H]2Nc3cc(Cl)ccc3NC3=C2C(=O)CC(C)(C)C3)cc1 5734459 YBGMYVSWZOKLOY-OAQYLSRUSA-N 382.891 5.571 30 40 GKEB C[C@@H](C#N)CSc1nnc(-c2ccc(Cl)cc2Cl)n1C1CCCCC1 7202059 RAQZIWOOUIVYCP-LBPRGKRZSA-N 395.359 6.009 30 40 GKEB CCSC1=C(C(=O)c2ccccc2)C(=O)C[C@H](c2ccc(Cl)cc2)S1 26896829 RXFWDJROXPIJSV-QGZVFWFLSA-N 388.941 5.935 30 40 GKEB CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@H]2c1ccccc1Cl 95482961 WOUVTKDIPNMELY-FPOVZHCZSA-N 389.882 5.382 30 40 GKEB Cc1ccnc(/N=C/c2c(O)c(Br)cc3oc4c(c23)CCCC4)c1 100132095 AMWUTMVMDRZXES-LSHDLFTRSA-N 385.261 5.234 30 40 GKEB CCOc1cccc(/C=N/c2cc(-c3nc4cc(C)ccc4o3)ccc2C)c1O 100503082 VCISYCRECHIFJR-AFUMVMLFSA-N 386.451 5.967 30 40 GKEB CC1=NN(c2ccccc2)C(=O)/C1=N/Nc1ccc(-c2ccc(Cl)cc2)cc1 102035147 PGNPVKHGBDGMCF-NJNXFGOHSA-N 388.858 5.198 30 40 GKEB O=C(Oc1cccc(/C=N/Nc2nc3ccccc3s2)c1)c1ccccc1F 408947529 AYYNKIJYVSOLIH-YDZHTSKRSA-N 391.427 5.101 30 40 GKEB CCc1ccccc1-n1c(C)cc(/C=N\Nc2ccc(C(F)(F)F)cn2)c1C 408968629 YAFGPSCBESMWDQ-ZRGSRPPYSA-N 386.421 5.516 30 40 GKEB C=CCOc1ccccc1/C=N/c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 409087047 FWBWWBBFDWMDCA-SCELWYEFSA-N 378.541 6.086 30 40 GKEB Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=N/c2ccccc2C)c1 409211329 LNIYTIKIYFALQG-AFUMVMLFSA-N 392.886 5.725 30 40 GKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccc(C(=O)O)cc2C)cc1OC 409380466 DZZMIUTUASKGJD-XIJPWPHISA-N 375.852 5.283 30 40 GKEB Cc1c(/N=C/c2cc(Cl)cc(Cl)c2O)cccc1-c1nc2ncccc2o1 1303379 XTQGWUCIOGLMPP-YSURURNPSA-N 398.249 5.961 30 40 GKEB O=C1ON(c2ccccc2)[C@@H](c2ccc(F)cc2)N1c1cccc2ccccc12 2441999 PBPXRXOSGOPOSH-QHCPKHFHSA-N 384.410 6.056 30 40 GKEB CC1(C)CC(=O)C2=C(C1)Nc1c(ccc3ccccc13)[C@@H]2c1ccc(Cl)cc1 4235649 LPCQXRIEZWGTFA-QFIPXVFZSA-N 387.910 6.694 30 40 GKEB biogenic C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)nc2ccccc21 4492801 RYAIRXCAEGMKRD-LBPRGKRZSA-N 389.883 5.134 30 40 GKEB CCCCCC[C@@H](/C=N/NC(=S)Nc1ccc(C)cc1C)Cc1ccccc1 6317987 JHAZYMBBLLUTFK-RYEBZEHMSA-N 395.616 6.405 30 40 GKEB COc1ccc2cc(C(=O)/C=C/c3ccc(Br)cc3F)ccc2c1 6602896 OVUXDQCYCOFTAL-RMKNXTFCSA-N 385.232 5.646 30 40 GKEB O=C1/C(=C/c2cccc(F)c2)Oc2cc(OCc3ccccc3Cl)ccc21 6926922 WZXNRAQFURYCOA-NHDPSOOVSA-N 380.802 5.674 30 40 GKEB C=C1CC[C@@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]1CC[C@H]2[C@@H](C)CCCC(C)C 7998093 QYSXJUFSXHHAJI-ZMACCQFVSA-N 384.648 7.619 30 40 GKEB CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1 12652096 RIMQJJWQKLWGME-HSZRJFAPSA-N 388.511 5.486 30 40 GKEB N#Cc1ccc(/C=C/C(=O)N2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 58312180 JMDDMLQOCOIUBN-ZTVSIKPCSA-N 384.401 5.344 30 40 GKEB Clc1ccc(-c2nc(N/N=C/c3ccccc3)sc2-c2ccccc2)cc1 59484206 KAFDWRGRNRJMMN-BUVRLJJBSA-N 389.911 6.577 30 40 GKEB N#Cc1c(/N=C/c2ccccc2OC(=O)c2ccccc2)sc2c1CCCC2 408720700 WWTJYGURQRVGSF-MFKUBSTISA-N 386.476 5.468 30 40 GKEB Cc1cc(/C=N/c2ccc(C(C)C)cc2)c(C)n1-c1ccc(Br)cc1 408737654 FWMOTQNLPBYPLF-ZVHZXABRSA-N 395.344 6.731 30 40 GKEB Cc1cc(/C=N\c2ccc(Cl)cc2Cl)c(C)n1-c1ccc(C(C)(C)C)cc1 408965838 IYRIJQOKVRMYKN-WGARJPEWSA-N 399.365 7.449 30 40 GKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4cccc(F)c4)o3)S2)cc1 409021126 YESPVJCVRIPHHP-UNOMPAQXSA-N 378.428 5.286 30 40 GKEB CCN1C(=O)/C(=C\C=C\c2ccc(N(C)C)cc2)S/C1=N/c1ccc(F)cc1 409229033 IQQCYJZGGGBFSQ-GQTZOHIDSA-N 395.503 5.072 30 40 GKEB N#CCc1nc(-c2ccccc2)c(NC(=O)C23CC4CC(CC(C4)C2)C3)s1 606422271 JEGZBLPCGDYCPZ-UHFFFAOYSA-N 377.513 5.031 30 40 GKEB COc1ccc(C=CC(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2)cc1 2049243828 FXZNENPOJIKRBN-UHFFFAOYSA-N 384.431 5.210 30 40 GKEB Oc1ccc(Br)cc1/C=N/c1ccc(-c2cn3ccccc3n2)cc1 2283008 GRVZIMYYHIVHSO-WSDLNYQXSA-N 392.256 5.220 30 40 GKEB COc1ccc(/C=N/CC[C@@H](c2ccc(OC)cc2)[C@H]2CCOC(C)(C)C2)cc1 5425377 YNWBONWELXGPNC-LJHOAFOSSA-N 395.543 5.502 30 40 GKEB CC(C)c1ccc(/N=C2\NC(=O)[C@@H](Cc3cc(Cl)ccc3Cl)S2)cc1 5862637 YSLAIIWUSDLCIJ-QGZVFWFLSA-N 393.339 5.579 30 40 GKEB CCCCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)c2ccc(Cl)cc2)cc1 6053081 WEFHTCFYNPYSJJ-FQEVSTJZSA-N 398.890 5.030 30 40 GKEB N#CCCn1cc(/C=C/c2nc3ccccc3s2)c(-c2ccc(F)c(F)c2)n1 7987215 UYQJYNOLOGWUAN-VQHVLOKHSA-N 392.434 5.522 30 40 GKEB C/C(=N\OCCOc1cccc(C(F)(F)F)c1)[C@@H]1C[C@H]1c1ccc(F)cc1 12350885 PTXMICIGMHQXQP-WPXQYKPHSA-N 381.369 5.420 30 40 GKEB COc1ccc(/C=C2\S/C(=N/c3cccc(Cl)c3Cl)NC2=O)c(C)c1 59566832 GXNFJGNNUKTXRY-DHDCSXOGSA-N 393.295 5.202 30 40 GKEB CCCCCCCCCCCCCCCCCCCCC[C@H](O)C(=O)OC 100501551 CVDOLGNPMWRXBI-QHCPKHFHSA-N 384.645 7.342 30 40 GKEB CCCCCCCc1nc(CCCCCCC)nc(CCCCCCC)n1 104049948 GTLSTHLUDNEWPK-UHFFFAOYSA-N 375.645 7.410 30 40 GKEB O=C(O)c1ccc(Cn2cc(/C=N/c3cccc4ccccc34)c3ccccc32)o1 408542703 NJSISMYQPXTJKN-VULFUBBASA-N 394.430 5.885 30 40 GKEB CCOc1ccc(/C=N/c2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)cc1 408722072 CXGVTOBHRVCEGP-YZSQISJMSA-N 398.531 6.935 30 40 GKEB CCOc1cccc(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@@H](C)CC)C2=O)c1 408914417 NWWSTHYHXNTOJJ-OTKAWYOPSA-N 394.540 5.796 30 40 GKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(OC)cc3)c2C#N)C1 671845 XZHOBWJEHFZRTJ-HNNXBMFYSA-N 382.529 5.422 30 40 GKEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccccc1F)Nc1ccccc1N2 856583 SZRHPNBUNPFIFI-SSOJOUAXSA-N 384.454 5.805 30 40 GKEB C=CCOc1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc1 1782274 SEEOZNILNDGBHS-UYRXBGFRSA-N 381.522 5.274 30 40 GKEB Cc1cc(C)c2oc(-c3cccc(/N=C/C=C/c4cccc([N+](=O)[O-])c4)c3)nc2c1 3108876 RECVWXIMTJPSEM-DGFIHBCQSA-N 397.434 6.436 30 40 GKEB Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1 5024791 KZEMHAYHFISAOW-ZBLYBZFDSA-N 394.518 6.283 30 40 GKEB CC[C@@H](C)Oc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 7071414 WFXRPKCQZWKUJI-HSRNYYRCSA-N 394.584 6.699 30 40 GKEB CC[C@H](C)Oc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 7078302 WFXRPKCQZWKUJI-AYLVGEDFSA-N 394.584 6.699 30 40 GKEB O=C1/C(=C/c2ccccc2Cl)Oc2cc(OC/C=C/c3ccccc3)ccc21 9052859 DHUFTOXKRPNVDM-VJWOQVONSA-N 388.850 6.048 30 40 GKEB O=C(c1ccc(F)c(Cl)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 101470982 ZZQLIQSQPXXRQE-UHFFFAOYSA-N 376.577 5.130 30 40 GKEB C=CCOc1ccc(NC(=S)NCCCSCc2ccc(F)cc2)cc1 225616250 QHXMQKOMZSWOQF-UHFFFAOYSA-N 390.549 5.000 30 40 GKEB CC1=NOC(=O)/C1=C/c1c(OCc2cccc(Cl)c2)ccc2ccccc12 408937710 JNSKMTDYBKNOTK-XDHOZWIPSA-N 377.827 5.388 30 40 GKEB COC(=O)c1cccc(/N=C/c2cccn2-c2cccc(Br)c2)c1C 409009069 UERLVMYWXLJCHA-LPYMAVHISA-N 397.272 5.085 30 40 GKEB Cc1cccc(NC(=O)COc2cccc(/C=N\c3cc(Cl)ccc3C)c2)c1 409203714 XJXLRKRYXAAQOY-QFEZKATASA-N 392.886 5.725 30 40 GKEB CCOC(=O)c1ccc(/N=C/c2ccc(Sc3ccc(C)cc3)cc2)cc1 409241107 RFPBQNWYIVEQCM-LFVJCYFKSA-N 375.493 6.074 30 40 GKEB Cc1ccc(-c2ccc(/C=N\c3cc(C(=O)O)ccc3C)o2)c(Br)c1 409247554 IFOBSIKFCKZGFY-JJFYIABZSA-N 398.256 5.775 30 40 GKEB C[C@@H]1CCc2sc(NC(=O)c3cccc(Oc4ccccc4)c3)c(C#N)c2C1 4070082 KSGPIIIFUOBXII-OAHLLOKOSA-N 388.492 5.789 30 40 GKEB Cc1cccc(-c2nc3n(n2)[C@@H](c2cccc(C)c2)C2=C(CC(C)(C)CC2=O)N3)c1 4279864 APTXIHPPAUFKPC-QFIPXVFZSA-N 398.510 5.220 30 40 GKEB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OCc1ccccc1 4292925 IXRFWZFRWRUPEP-FRSCJGFNSA-N 378.556 6.104 30 40 GKEB biogenic COc1ccc(C2=C(Nc3ccc(OC)c(Cl)c3)c3ccccc3C2=O)cc1 6824538 SMZZKTSSNHSXAL-UHFFFAOYSA-N 391.854 5.534 30 40 GKEB Cc1cc(-c2nc3ccccc3s2)c(C)n1-c1sc2c(c1C#N)CCCC2 8334789 XAMLSKNCIVAZSD-UHFFFAOYSA-N 389.549 6.183 30 40 GKEB O=C(/C(=N/N=C/c1ccc(Cl)c(Cl)c1)c1ccccc1)c1ccccc1 12566306 CWZNGUQVTLLXDR-JYPYDPOKSA-N 381.262 5.700 30 40 GKEB Cc1cccc(C(=O)Oc2ccc(C)cc2/C=C2\Sc3ccccc3C2=O)c1 13774699 MMPXNQRFLUNROL-HMAPJEAMSA-N 386.472 5.852 30 40 GKEB COc1ccc(C)cc1Nc1nc(SC)nc(-c2ccc(Cl)cc2)c1C#N 19820508 VJFVLKGUOWIKQC-UHFFFAOYSA-N 396.903 5.451 30 40 GKEB O=C1/C(=C\c2ccccc2OC(F)F)[C@@H](c2ccccc2)Oc2ccccc21 35609995 LWDFJZSOZBFKDJ-OVWUPXBPSA-N 378.374 5.688 30 40 GKEB Fc1ccccc1COc1cccc(/C=N/Nc2nc3ccccc3s2)c1 59418084 QIBFLJLBFJSCGE-YDZHTSKRSA-N 377.444 5.460 30 40 GKEB Cc1cc2c(cc1C)CN(c1ccc(/C=N/c3cccc4ccccc34)cc1)C2 59501485 MAKNTPWMINJZKU-LQKURTRISA-N 376.503 6.727 30 40 GKEB CCCCCCCCCCCCCCCC(=O)N(CCC(=O)O)CCC(=O)O 100932721 FJTDZRVLTJQOMD-UHFFFAOYSA-N 399.572 5.246 30 40 GKEB CCCCCCCCCCCCCCCCCC[N+]1(CC)[C@@H](C)CC[C@@H]1C 104177315 BLDXZRMRJWMIGB-UIOOFZCWSA-N 380.725 8.655 30 40 GKEB C=CCOC(=O)c1cc(Cl)c(OCc2ccccc2Cl)c(OCC)c1 216829686 AROHZLNBQFDWPM-UHFFFAOYSA-N 381.255 5.314 30 40 GKEB Cc1ccccc1OCC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 408629187 OQRHCKZOXBMEJQ-HNNXBMFYSA-N 382.529 5.097 30 40 GKEB Cc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(C4CCCC4)c3C)S2)cc1 408786140 FKMSEEGHVKZDLY-MOSHPQCFSA-N 379.529 5.420 30 40 GKEB CCOc1ccccc1/N=C\c1c(Br)c(C)n(-c2ccccc2)c1C 408844644 IEJJGIZCEBKGPX-UCQKPKSFSA-N 397.316 6.006 30 40 GKEB CCCN1C(=O)/C(=C\c2cn(CC)c3ccccc23)S/C1=N\c1ccccc1 408908117 DOQZXFYKFWOEPL-NVZLDUMVSA-N 389.524 5.675 30 40 GKEB COc1ccc(/C=N/c2c(C)nn(-c3ccccc3)c2C)cc1Br 408976303 QMLBNEKCXVSRCP-CIAFOILYSA-N 384.277 5.011 30 40 GKEB Cc1ccc2oc(-c3ccc(/N=C/C=C/c4ccc([N+](=O)[O-])cc4)c(C)c3)nc2c1 3044580 VCFDLROTCWRFOE-DFJXIDDLSA-N 397.434 6.436 30 40 GKEB CCOc1ccc(C(=O)/C(=C/c2cccnc2)c2nc3ccccc3s2)cc1 4189618 NATBUDAFEWTBAL-RGEXLXHISA-N 386.476 5.514 30 40 GKEB CC(C)c1ccc(/N=C2\NC(=O)[C@H](Cc3cccc(Cl)c3Cl)S2)cc1 5862629 NEWJDOMSZYYCAM-INIZCTEOSA-N 393.339 5.579 30 40 GKEB Cc1cc(C(=O)O)ccc1/N=C/c1c(C)c(Cl)c(C)c(Br)c1O 6188956 YGULSTZGOPIRKH-IFRROFPPSA-N 396.668 5.182 30 40 GKEB CCN1C(=O)/C(=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c2ccccc21 6497000 FLIWOPXHHPGXNW-SHLVRQGHSA-N 391.540 5.258 30 40 GKEB COc1ccc(/N=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 8116685 YUCGSSJNPTVOJU-FYJGNVAPSA-N 393.355 5.055 30 40 GKEB O/N=C1\Cc2ccccc2[C@H]1Sc1nc(-c2ccccc2)c(-c2ccccc2)o1 16492226 IOGZLUHQFDQWKE-SLSCBCEPSA-N 398.487 6.228 30 40 GKEB O=C(NC1CCCCC1)c1c(/N=C\c2ccc(F)cc2)sc2c1CCCC2 18033512 BOFGPELUCVCMGG-OYKKKHCWSA-N 384.520 5.579 30 40 GKEB CC1=CC(=O)/C(=C2/C[C@@H](c3ccc(C(C)C)cc3)Nc3ccccc3N2)C(=O)O1 102437424 MESVCKMYEZGKCC-SSRRSSPNSA-N 388.467 5.063 30 40 GKEB Fc1ccc(/C=N/c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)cc1 408721897 BFKKGSQVTVHGAR-AFUMVMLFSA-N 392.886 7.020 30 40 GKEB C=CCN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)cc2)C1=O 409072888 LMHCCBCTXJKKJN-ATVHPVEESA-N 387.913 5.714 30 40 GKEB Cc1ccc(Sc2ccc(/C=N/c3cc(C(=O)O)ccc3Cl)cc2)cc1 409233967 IUVXQBHKGZVUJH-YDZHTSKRSA-N 381.884 6.248 30 40 GKEB CCCCCCC(=O)O[C]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 1560411717 DXZBRKBBYYUZGS-GIDZJRPFSA-N 399.595 6.564 30 40 GKEB O=C(Oc1ccc(/C=N/c2ccccc2Cl)cc1[N+](=O)[O-])c1ccccc1 1052220 VGQKBOUCZWTQBM-LPYMAVHISA-N 380.787 5.218 30 40 GKEB O=C1CCCC2=C1[C@@H](c1ccccc1C(F)(F)F)c1c(ccc3ncccc13)N2 1069529 PCPWFMCOIWRZIH-NRFANRHFSA-N 394.396 5.818 30 40 GKEB N#Cc1c(Nc2nc3ccccc3nc2N2CCCCC2)sc2c1CCCC2 2284937 WIICGQYOIZLZLF-UHFFFAOYSA-N 389.528 5.176 30 40 GKEB C[C@H]1[C@@H](c2ccccc2)N(C)[C@@H](c2ccccc2)[C@H](C)C1(O)C#Cc1ccccc1 4477937 HMVLFUWQWMPWKQ-PMCZPQNESA-N 395.546 5.469 30 40 GKEB CCc1cccc(C)c1NC(=O)CSc1nc2c(C)cccc2cc1C#N 4849026 WDPZIAVABRFROL-UHFFFAOYSA-N 375.497 5.017 30 40 GKEB Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C)cc2)cc1 5024790 KZEMHAYHFISAOW-IDISGSTGSA-N 394.518 6.283 30 40 GKEB Cc1cc(/C=N/c2ccc(Cl)c(C(=O)O)c2)c(C)n1-c1ccc(N(C)C)cc1 5530366 NRZZAUQACMHKAD-ZMOGYAJESA-N 395.890 5.262 30 40 GKEB Cc1ccc(-c2ccc(/C=C/C(=O)c3ccc(-c4ccc(Cl)cc4)o3)o2)cc1 5543154 YJDDTCDTEUITKP-ZRDIBKRKSA-N 388.850 7.065 30 40 GKEB Cc1ccc(/N=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)cc1 8371868 ARENSMHDQWJECK-AFUMVMLFSA-N 392.886 5.725 30 40 GKEB CCCCCCCC[C@H]1C[C@@H]1C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1 8427296 TXARVQHFADSRPS-REWPJTCUSA-N 392.543 6.264 30 40 GKEB CCOc1ccc(/C=N/Nc2nc(-c3ccc(C)cc3)cs2)cc1OCC 9434474 PBSDSKVZPMDYJK-LPYMAVHISA-N 381.501 5.362 30 40 GKEB C=C1CC[C@H](O)C/C1=C\C=C1/CCC[C@]2(C)[C@@H]1CC[C@H]2[C@@H](C)CCCC(C)C 13813120 QYSXJUFSXHHAJI-BHRDGNTDSA-N 384.648 7.619 30 40 GKEB Cc1ccc(-n2nc(C)c3c2NC2=C(C(=O)CCC2)[C@H]3c2sccc2C)cc1 18196668 XPNOICFTJWRGGX-NRFANRHFSA-N 389.524 5.424 30 40 GKEB CCOc1ccc(OCC)c(N/C=C/C(=O)c2ccc(Br)cc2)c1 51318590 GEYFNHXRXJVYST-VAWYXSNFSA-N 390.277 5.055 30 40 GKEB CCOc1ccc(/C=C2/S/C(=N/c3ccc(C)cc3)NC2=O)c2ccccc12 59433539 YKDKCFAGZKTLHC-KGENOOAVSA-N 388.492 5.439 30 40 GKEB O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(/C=N\Nc2nc3ccccc3s2)o1 98035222 WLZDPJYMTBREJS-JMIUGGIZSA-N 398.831 5.564 30 40 GKEB O=C(/N=C(/N=C(/c1ccccc1)N1CCCCC1)c1ccccc1)c1ccccc1 104210667 SYIHPIKZKVSORJ-PLQUULKHSA-N 395.506 5.206 30 40 GKEB c1ccc(/N=C2/S[C@H](c3ccccc3)CN2C23CC4CC(CC(C4)C2)C3)cc1 104313240 KHYPIIHHYPGAMH-HTDXITNDSA-N 388.580 6.433 30 40 GKEB N#Cc1cc(N)c(Oc2ccc(F)cc2)n1Cc1ccc(Cl)cc1Cl 225882957 NVBPHHLTQDUXLX-UHFFFAOYSA-N 376.218 5.228 30 40 GKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc(F)cc3F)c2C)c1 408967538 QTJZKERLXSKLGL-DHRITJCHSA-N 382.410 5.300 30 40 GKEB N#Cc1c(-c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c2c([nH]c1=N)CCCC2 408977037 CHSNYAWJSAYCDF-UHFFFAOYSA-N 384.266 5.478 30 40 GKEB COC(=O)c1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 409091619 QOHYZDWHTVNBMX-CBFMJHRQSA-N 380.513 5.308 30 40 GKEB COc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCc1ccc(C(=O)O)o1 409385239 KENWSSCTAULLSQ-FOKLQQMPSA-N 399.830 5.278 30 40 GKEB COc1ccc(Br)cc1/C=N/Nc1nc(-c2ccccc2)cs1 4603618 POAKPCKYJWTDBE-VXLYETTFSA-N 388.290 5.027 30 40 GKEB CC[C@@H](C)c1ccccc1/N=C/c1cc(Br)cc([N+](=O)[O-])c1O 6440240 XVLGHUQUYSYXJC-VURRPDKYSA-N 377.238 5.327 30 40 GKEB Cc1cc(/C=N/Nc2nc3ccccc3n2C)c(C)n1-c1cccc(Cl)c1 7343438 IOBUFTZWXKWYAT-YDZHTSKRSA-N 377.879 5.080 30 40 GKEB C=CCN(C(=O)c1csc(-c2cccs2)n1)c1nc2c(s1)CCCC2 36784272 HUSVTOOYRLKRRO-UHFFFAOYSA-N 387.555 5.040 30 40 GKEB C[C@@H]1CCc2c(-c3ccccc3)nc(S[C@H]3CCCCC3=O)c(C#N)c2C1 95117613 WQKZEWZCQGTVCD-VFNWGFHPSA-N 376.525 5.349 30 40 GKEB FC(F)(F)c1cccc(C(F)(F)C(F)(F)c2cccc(C(F)(F)F)c2)c1 95682194 FZXKHINLRQLJNU-UHFFFAOYSA-N 390.220 6.608 30 40 GKEB O[C@H]1c2cc(Cl)ccc2-c2c(/N=C\c3ccc4c(c3)OCO4)cc(Cl)cc21 104091523 OTSUYTRWZUVSMX-NYPWLODOSA-N 398.245 5.535 30 40 GKEB C=CCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 224704065 GPNDJIDJIUCNJI-UHFFFAOYSA-N 399.899 5.514 30 40 GKEB Nc1c(-c2ccccc2F)c(C(F)(F)F)nn1-c1cccc(C(F)(F)F)c1 225179397 KMDHATZHSYQKBI-UHFFFAOYSA-N 389.274 5.298 30 40 GKEB CCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)c(C#N)c1 225685403 QTIWAZDPXNDVCI-UHFFFAOYSA-N 396.918 5.841 30 40 GKEB N#Cc1cn(C(=O)/C=C/c2ccc(Oc3ccccc3)c(F)c2)c2ccccc12 226362326 XJBYNZZHRJLAOT-ACCUITESSA-N 382.394 5.798 30 40 GKEB C=CCn1c(C)c(/C=C2\SC(=Nc3cccc(C)c3)NC2=O)c2ccccc21 408815234 IUZFWAXKAJZDQP-STZFKDTASA-N 387.508 5.336 30 40 GKEB Cc1ccc(Cl)cc1/N=C\c1cccc(OCc2cccc3ccccc23)c1 409214927 VHCCCQPBINIRGG-YUMHPJSZSA-N 385.894 7.131 30 40 GKEB CN1CCc2c(sc(/N=C/c3ccc4c(c3)c3ccccc3n4C)c2C#N)C1 1100460 OFZYGZQIRHTNSI-DHRITJCHSA-N 384.508 5.003 30 40 GKEB Cc1ccc2nc(-c3ccc(/N=C/c4cc(Cl)ccc4O)cc3)sc2c1 3066560 FXROTQZKRFAENO-FSJBWODESA-N 378.884 6.381 30 40 GKEB C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc3c(c2)oc2ccccc23)c1 4507221 KREXMQMHTXSADE-UHFFFAOYSA-N 384.479 6.676 30 40 GKEB CSc1ccc(/C=C2/CC(C)C/C(=C\c3ccc(SC)cc3)C2=O)cc1 4826150 CJIQSXULDKLRPC-FANOUHKGSA-N 380.578 6.596 30 40 GKEB C=CCOc1ccc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)no3)cc2)cc1 32622297 BAGWMJWQIWUVID-UHFFFAOYSA-N 397.434 5.221 30 40 GKEB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/c2sc3c(c2C#N)CCCC3)o1 59515273 PHKUSAGKUOXWJE-FSJBWODESA-N 391.452 5.726 30 40 GKEB CCCCCCCCCCc1noc2c1/C(=N\O)C[C@@H](C[C@H](C)SCC)C2 103007871 KJKOMIKRFOOAEA-BKSSVATDSA-N 394.625 6.630 30 40 GKEB COc1cc(COc2ccc(Cl)cc2/C=N\O)ccc1OCc1ccccc1 408539617 ITCJBHXWTSTROJ-CFRMEGHHSA-N 397.858 5.315 30 40 GKEB Cc1cccc(C)c1-n1c(C)cc(/C=N/c2ccc(N3CCOCC3)cc2)c1C 408931103 HGAAVZGWZZVQBI-YZSQISJMSA-N 387.527 5.298 30 40 GKEB CN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2)SC1=Nc1ccc(Cl)cc1 408959734 DWOBCOWUKPYHPP-VXMHBOQLSA-N 397.931 5.174 30 40 GKEB CCc1ccc(C(=O)/C=C/Nc2ccc(Oc3ccccc3Cl)cc2)cc1 409102029 UMMRHZRIZVEYRC-FOCLMDBBSA-N 377.871 6.503 30 40 GKEB COC(=O)c1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)c(C)c1 409102558 DHDVPMPERYPAPT-ZVHZXABRSA-N 395.911 6.337 30 40 GKEB Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2cccc(F)c2)cc1Cl 409209842 JIZBRQKFDOZBEV-BRJLIKDPSA-N 388.269 6.771 30 40 GKEB Cc1ccccc1Oc1ccc(/N=C/c2cccn2-c2ccc(C(=O)O)cc2)cc1 409248101 JYFIZXGHRDGCMB-YZSQISJMSA-N 396.446 6.027 30 40 GKEB CC[C@@H](C)Oc1cccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c1 409405835 VXTCWWKWOVHVKL-GOSISDBHSA-N 397.478 5.123 30 40 GKEB Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc(Br)c2cccnc12 3112820 RZYOTGFSRHFLPL-ODCIPOBUSA-N 396.071 5.760 30 40 GKEB CC(C)c1c(O)c(C#N)c(-c2ccccc2)n(-c2ccc(Cl)cc2Cl)c1=O 4127634 IKCQJCATKRGNDS-UHFFFAOYSA-N 399.277 5.512 30 40 GKEB CCc1ccc(-c2csc(/C(C#N)=N/Nc3cc(Cl)ccc3OC)n2)cc1 4175552 AWPZAHXNBSPQEW-KOEQRZSOSA-N 396.903 5.374 30 40 GKEB CC(C)c1ccc(/N=C2\NC(=O)[C@@H](Cc3cccc(Cl)c3Cl)S2)cc1 5862643 NEWJDOMSZYYCAM-MRXNPFEDSA-N 393.339 5.579 30 40 GKEB CCOc1ccc(-c2cc(-c3ccc(Cl)c(Cl)c3)[nH]c(=O)c2C#N)cc1 5927282 CYWGBUJJZBSMFG-UHFFFAOYSA-N 385.250 5.286 30 40 GKEB CCCCCCCCCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 8432220 VODOEGWCJQEPRF-QGZVFWFLSA-N 388.621 6.850 30 40 GKEB COc1cccc(/C=N/c2ccc(-c3nc4cc(Cl)ccc4o3)c(O)c2)c1O 13562783 JHTFUCCQUODCFU-FOKLQQMPSA-N 394.814 5.319 30 40 GKEB CCn1cc(/C=C2\C[C@@H]3[C@H]4CCc5cc(OC)ccc5[C@@H]4CC[C@]3(C)C2=O)cn1 36614387 XKRIBCLXBKPPCM-ZBMYYVAISA-N 390.527 5.030 30 40 GKEB CCCCCCCCCCCCCCOC(=O)[C@H](N)[C@@H](O)c1ccccc1 70665734 OIVGXPSRTPKUPQ-YADHBBJMSA-N 377.569 5.292 30 40 GKEB biogenic N#CCCSc1ccccc1NC(=O)C1c2ccccc2Oc2ccccc21 95944755 RUOLQJNQICOROM-UHFFFAOYSA-N 386.476 5.569 30 40 GKEB C=C1C(C)(C)[C@@H]2CC[C@]1(C(=O)Nc1nc3ccc(Br)cc3s1)C2 100261880 KHAPYQRKWJXYCT-ZMZPIMSZSA-N 391.334 5.380 30 40 GKEB CCOc1ccccc1[C@@H]1C2=C(CC(C)(C)CC2=O)NC2=C1C(=O)c1ccccc12 100636568 BTKMKNNZVUQJOJ-OAQYLSRUSA-N 399.490 5.023 30 40 GKEB CC(C)(C)/[N+]([O-])=C\[C@@H](c1ccccc1)[C@@H](/C=[N+](/[O-])C(C)(C)C)c1ccccc1 104241731 CILLGYSYGQMQPA-CPMSPYSGSA-N 380.532 5.313 30 40 GKEB Cc1cccc(C)c1/N=C1\S/C(=C\c2c(C)[nH]c3ccccc23)C(=O)N1C 226818689 VQQQQNBDQIHDFP-WRANEOQNSA-N 375.497 5.327 30 40 GKEB Cc1ccc(/N=C\c2cc(C)n(-c3ccc4ncccc4c3)c2C)cc1[N+](=O)[O-] 408967513 SZDCCPVKGMFTGP-QFEZKATASA-N 384.439 5.610 30 40 GKEB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/c2cc(C)ccc2C)cc1 409200901 KGXSMNPGFZCNAQ-HZHRSRAPSA-N 379.481 5.130 30 40 GKEB Cc1ccc(/N=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2)cc1C 409216088 HWZVDEJJGAKNQB-AFUMVMLFSA-N 392.886 5.725 30 40 GKEB C=CCN1C(=O)S/C(=C\c2cn(Cc3ccccc3F)c3ccccc23)C1=O 1015280 QVQSFIQTFDIFKG-NDENLUEZSA-N 392.455 5.051 30 40 GKEB Cc1ccc(N/N=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 4175337 GHAAHAFYJUONQW-XAYXJRQQSA-N 394.503 6.125 30 40 GKEB CCO[C@H]1C[C@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=C(C)O1 4721161 ARJPPIIZDXIWHR-RSNWGCIOSA-N 384.560 5.801 30 40 GKEB CCOc1cc2c3c(c1)/C(=N\c1ccc(F)c(Cl)c1)C(=O)N3C(C)(C)C=C2C 4740338 GCPVMUVCFWCKJN-NCELDCMTSA-N 398.865 5.541 30 40 GKEB C=C(C)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)c(Cl)c1 5637491 UWGNTIYRQDYFHU-UHFFFAOYSA-N 377.300 5.304 30 40 GKEB N#CCOc1ccc([C@@H]2Nc3c(Br)cccc3[C@H]3C=CC[C@@H]32)cc1 6971330 MIJHOFIDMUWGSD-BXWFABGCSA-N 381.273 5.178 30 40 GKEB C#CCOc1c(Cl)cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1OC 8110628 XEDATQYFMIVIHM-PCLIKHOPSA-N 391.854 5.904 30 40 GKEB Cc1ccc(OCc2ccc(-c3nc(C#N)c(N[C@@H](C)c4ccccc4)o3)o2)cc1 8844503 BGYDDBRXMSLJRT-KRWDZBQOSA-N 399.450 5.867 30 40 GKEB C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]1CC[C@@H]2[C@H](C)CCCC(C)C 9302303 QYSXJUFSXHHAJI-YVRRXPGZSA-N 384.648 7.619 30 40 GKEB biogenic,in-vitro COc1cc(/C=N/NCc2ccc(Cl)cc2)ccc1OCc1ccc(F)cc1 10119048 MBAXWSTYWYMYLL-VULFUBBASA-N 398.865 5.190 30 40 GKEB N#Cc1nc(-c2ccc(COc3ccc4ccccc4c3)o2)oc1N1CCCCC1 33027099 IYWDZXVXORTDSH-UHFFFAOYSA-N 399.450 5.529 30 40 GKEB COc1ccc(-c2cc(-c3ccccc3Cl)c(C#N)c(C(C#N)C#N)n2)cc1 39379129 KVSIEELTGJTNLS-UHFFFAOYSA-N 384.826 5.080 30 40 GKEB COc1ccc(C(=O)/C=C/Nc2ccc(Cl)cc2C(F)(F)F)cc1OC 44843762 BTVYQHXLOBYGOD-BQYQJAHWSA-N 385.769 5.185 30 40 GKEB CCCCOc1ccc(/C=N/c2sc3c(c2C(=O)OCC)CCCC3)cc1 59720341 VBRVJHHYGPUKBY-HZHRSRAPSA-N 385.529 5.733 30 40 GKEB CCCCCCCCCCCC(CCCCCCCC)CCCCCCCC 77943464 JNRMADFNKDCLKT-UHFFFAOYSA-N 394.772 11.025 30 40 GKEB CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1cccc(Cl)c1 101275156 LEMJQZCQWHOECM-LJQANCHMSA-N 389.882 5.278 30 40 GKEB Cc1nn(C)cc1/C=C1\C[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]2(C)C1=O 253508446 KVDDTNQRMJYZPQ-NKMPTZFRSA-N 380.576 5.724 30 40 GKEB C=C(C)[C@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O[C@@H]1c1ccc(F)cc1 257208606 BMVYJYPPCHJTOP-RSPOEFSDSA-N 375.484 5.105 30 40 GKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccccc3SC)c2C)c1 408968479 ZIXNIRISHGVJDC-BUVRLJJBSA-N 392.524 5.743 30 40 GKEB C=CCOc1cccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)c1 409330843 MGBYTKNUUJNOFH-BOPFTXTBSA-N 387.913 5.311 30 40 GKEB C=CCOc1ccccc1Cn1c2ccc(Cl)cc2c2nc3ccccc3nc21 2445865 GVIWWSSUJXZLQQ-UHFFFAOYSA-N 399.881 6.004 30 40 GKEB N#Cc1ccc(C(=O)N(CCc2ccccc2)c2nc3ccccc3s2)cc1 2658652 QJZHNDDLPQQOHD-UHFFFAOYSA-N 383.476 5.057 30 40 GKEB C#CCn1c(SCc2ccccc2)nc(-c2ccccc2)c1-c1ccccc1 3135091 GPELPOVTPCBCCE-UHFFFAOYSA-N 380.516 6.143 30 40 GKEB Clc1ccc(N2CCN(/N=C\c3cccc(Oc4ccccc4)c3)CC2)cc1 4561986 CATXEEOUTZJIKR-BWAHOGKJSA-N 391.902 5.288 30 40 GKEB COc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(F)c(Cl)c1 4740387 CPPLSGKJCWGLCU-GKTNAJGXSA-N 386.854 5.241 30 40 GKEB Oc1ccc(/N=N/c2ccccc2)cc1/C=N/N=C1\C[C@H](c2ccccc2)N=N1 6283141 WFZXSWGTGMEMMZ-HNIMSJHHSA-N 382.427 6.137 30 40 GKEB C/C(=N\NC(=S)Nc1cccc(Cl)c1C)c1cccc(C(F)(F)F)c1 8230268 SUVWHEAMLJGLMT-FOKLQQMPSA-N 385.842 5.378 30 40 GKEB COc1cccc(/C=N\c2cccc(-c3nc4cc(Cl)ccc4o3)c2)c1O 16228155 YCCXCXFZTBCGDQ-FMCGGJTJSA-N 378.815 5.613 30 40 GKEB O=C1C[C@H](c2ccc(F)cc2)S/C(=N\c2ccccc2)N1c1ccccc1 17043604 POHPXYZLFBMKPC-ZGKFLROHSA-N 376.456 5.725 30 40 GKEB Cc1ccc(-n2nc(C)c3c2NC2=C(C(=O)CCC2)[C@@H]3c2cc(C)ccc2O)cc1 18196974 BBQHCXWTJGTVHE-HSZRJFAPSA-N 399.494 5.068 30 40 GKEB C=CCn1c(SCCCCC#N)nc2scc(-c3ccc(C)cc3)c2c1=O 84172014 KIEORLGNKJIPDG-UHFFFAOYSA-N 395.553 5.405 30 40 GKEB O=C1/C(=C/c2ccccc2OCc2cccnc2)CSc2ccc(F)cc21 96307319 DCJGQYKOSDVOCB-LICLKQGHSA-N 377.440 5.172 30 40 GKEB Cc1cc(/C=N/c2ccc(-c3ccccc3)cc2)c(C)n1-c1cccc([N+](=O)[O-])c1 100116749 BRBCSVRPZFKTRD-YZSQISJMSA-N 395.462 6.420 30 40 GKEB N#C[C@@]12CCCC[C@@H]1C(c1ccccc1)[C@H]1CCCC[C@@]1(C#N)N2c1ccccc1 102666025 KTRYHAULWNUHQF-KAHCWPQKSA-N 395.550 6.196 30 40 GKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=C/C(=O)c3ccc(C)cc3)c2C)c1 408692258 IPWRZKHRPVTSKL-BUHFOSPRSA-N 387.479 5.475 30 40 GKEB Cc1ccc(/N=C\c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1C 408819108 YGMOAZORSCRVMZ-QFEZKATASA-N 392.886 5.725 30 40 GKEB Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2c(F)cccc2Cl)S1 408857338 GALWOFXSLJYMNQ-NVNXTCNLSA-N 381.259 5.333 30 40 GKEB COc1ccc(Cl)cc1/C=C1\SC(=Nc2cc(Cl)ccc2C)NC1=O 408875950 ICZRSEMMPKFDQA-PXNMLYILSA-N 393.295 5.202 30 40 GKEB N#Cc1ccc(COc2ccccc2/C=C2\Sc3ccccc3NC2=O)cc1 409104147 FDHHHQRSNMIKGZ-XKZIYDEJSA-N 384.460 5.223 30 40 GKEB CSc1ccccc1/N=C/c1ccc(-c2ccc(C)cc2Br)o1 409242620 XEVUBRCQTWCMOA-CIAFOILYSA-N 386.314 6.490 30 40 GKEB N#Cc1c(NC(=O)C(c2ccccc2)c2ccccc2)sc2c1CCCCC2 2679652 SEBOYKYRVIPCAC-UHFFFAOYSA-N 386.520 5.659 30 40 GKEB Cc1ccc(-c2csc(/C(C#N)=N/Nc3cc(Cl)ccc3Cl)n2)cc1 4175481 KJCCTYNVVLBGES-LFVJCYFKSA-N 387.295 5.765 30 40 GKEB CCC[C@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(O)C#Cc1ccccc1 4836801 LIEJILKXNSLXJY-LAJGZZDBSA-N 395.546 5.661 30 40 GKEB C/C(=N\NC(=S)Nc1ccc(C(C)C)cc1)c1cccc(C(F)(F)F)c1 4871776 DJUCDBQOFGSZRZ-ZMOGYAJESA-N 379.451 5.539 30 40 GKEB C/C(=N\Nc1nc(Cl)c(Cl)cc1Cl)c1ccc(C2CCCCC2)cc1 7158045 NQIPKJMOMRIQEW-WYMPLXKRSA-N 396.749 6.926 30 40 GKEB O=C(/N=C1\c2ccccc2CN1c1ccccc1)Nc1ccc(Cl)c(Cl)c1 12559920 IPSKJGLTNAICHP-LKUDQCMESA-N 396.277 5.992 30 40 GKEB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N\c2ccc(C)c(C)c2)cc1 15134712 KMNIKUWKYHHTDC-HAHDFKILSA-N 379.481 5.130 30 40 GKEB CC(C)CC(=O)Nc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1 26324375 HEDVXUMFTJEUMO-UHFFFAOYSA-N 397.478 5.462 30 40 GKEB CCc1ccccc1NC(=O)CSc1nc2cc(C)c(C)cc2cc1C#N 35288591 CBWVHFSSJCVAFJ-UHFFFAOYSA-N 375.497 5.017 30 40 GKEB CC(C)Sc1ncccc1C(=O)Nc1cccc(C#Cc2cccs2)c1 40116141 WINKRXQGVDAULG-UHFFFAOYSA-N 378.522 5.296 30 40 GKEB CN/C(=N\c1ccc(Cl)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 49772142 SADFJJGSEJGTAG-UHFFFAOYSA-N 380.719 5.675 30 40 GKEB Cc1ccc(-c2cc(C(F)F)nc(N/N=C/c3ccc(F)s3)n2)cc1C 252492964 MYKJDGQHJNDOLM-LSFURLLWSA-N 376.407 5.345 30 40 GKEB Oc1ccc(/C=N\c2ccc(Cl)cc2Cl)cc1I 408966303 ZKSKGGYETCZKAC-IDUWFGFVSA-N 392.023 5.054 30 40 GKEB CC[C@H](C)Oc1ccc(/C=N/c2ccc(Nc3ccccc3)cc2)cc1Cl 409013804 VUKHDOPUZMURON-XUANBZSPSA-N 378.903 7.012 30 40 GKEB CCOc1c(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cccc1OC 409087094 GGGXOWOYWYQLEJ-MMDHUZEPSA-N 396.556 5.929 30 40 GKEB CCOC(=O)c1cccc(/N=C\c2cc(C)n(-c3ccc(OCC)cc3)c2C)c1 409186524 DGJXEUCATGWSAS-XYGWBWBKSA-N 390.483 5.420 30 40 GKEB N#Cc1cc(-c2cccc(C(F)(F)F)c2)cnc1Sc1ccccc1Cl 3133677 UCVSJRRXKUEMJE-UHFFFAOYSA-N 390.817 6.444 30 40 GKEB NC1=C(c2nc3ccccc3s2)C(=O)CN1C1CCCCCCCCCCC1 3186781 DOTOHFOKTPZDAS-UHFFFAOYSA-N 397.588 5.482 30 40 GKEB C/C(=N\Nc1nc(-c2ccccc2Cl)nc2ccccc12)c1ccc(C)cc1 4826071 DFYNJFXCKNPATB-JVWAILMASA-N 386.886 6.095 30 40 GKEB C#CCOc1ccccc1CN[C@@H](c1ccccc1)c1ccc(OC(F)F)cc1 7988734 ZGFJRYLZAHOKSZ-QHCPKHFHSA-N 393.433 5.179 30 40 GKEB O=C(/C=C\c1ccccc1)Oc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)cc1 31872615 USUVUSDICXDFMW-WIBPKFNESA-N 388.850 5.855 30 40 GKEB CN(C)c1ccc(/C=C2\CCC/C(=C\c3ccccc3OC(F)F)C2=O)cc1 33693533 JPBAZZFOMMVXAC-JSAVKQRWSA-N 383.438 5.574 30 40 GKEB Cc1ccc(C(=O)/C=C(/Nc2c(C)cc(C)cc2C)C(=O)c2ccc(C)cc2)cc1 103450146 RSOPRMMFAAMBCA-LFVJCYFKSA-N 397.518 6.290 30 40 GKEB CCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)c(C#N)c1 225765889 VYMMZUFPILJYIL-UHFFFAOYSA-N 382.891 5.451 30 40 GKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1ccc(-c2ccc(F)cc2)o1 409068426 ANHITPATRUBRCF-AUEPDCJTSA-N 393.296 5.459 30 40 GKEB COc1ccc(/N=C\c2cccc(OCc3ccc(Br)cc3)c2)cc1 409208447 CBKOHXHBQJQZJQ-UCQKPKSFSA-N 396.284 5.787 30 40 GKEB CC(C)c1ccc(/C=N\n2c(S)nnc2-c2ccc(Cl)cc2Cl)cc1 2337433 LSTAFZNYHVLUKT-FBHDLOMBSA-N 391.327 5.546 30 40 GKEB C=CCn1c(-c2ccccc2)cs/c1=N\N=C(\C)c1ccc2ccccc2c1 4184734 AAPCOHKAJCGXDS-PZZIWJDUSA-N 383.520 5.881 30 40 GKEB CC(C)c1cc(Nc2cc(Cl)cc(Cl)c2)n2c(nc3ccccc32)c1C#N 5050412 LUSXBNGHVDJWSM-UHFFFAOYSA-N 395.293 6.533 30 40 GKEB O=C1/C(=C/c2coc3c(Cl)cc(Cl)cc3c2=O)Sc2ccccc21 5648190 GTEVRVQQNPLATQ-WCSRMQSCSA-N 375.232 5.429 30 40 GKEB Clc1c2ccccc2c(/C=N/Nc2ccc3ccccc3n2)c2ccccc12 6258175 WKPIYVWAIVUBEC-CVKSISIWSA-N 381.866 6.641 30 40 GKEB Cc1oc(-n2c(C)cc(/C=N/Nc3nc4ccccc4s3)c2C)c(C#N)c1C 6608895 DTWUTUZCMRSLRD-FOKLQQMPSA-N 389.484 5.231 30 40 GKEB COc1ccc(/N=C/c2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)cc1 8116427 IIUFSNMANFRQNF-DHRITJCHSA-N 399.849 5.826 30 40 GKEB COc1cc(/C=N/c2ccc(C)cc2C)ccc1OCC(=O)Nc1ccccc1 8368683 HWZYXDDEXXJKEI-MFKUBSTISA-N 388.467 5.080 30 40 GKEB FC(F)(F)c1cnc(N/N=C(\S)Nc2ccc(Cl)cc2)c(Cl)c1 8690470 KQXXVDFKCXFPEI-UHFFFAOYSA-N 381.210 5.132 30 40 GKEB Oc1cc(/C=N/c2ccc(-c3csc(-c4ccccc4)n3)cc2)nc(=S)[nH]1 16932453 RADZMNAAQKLIKB-SRZZPIQSSA-N 390.493 5.386 30 40 GKEB CCCCCCCCC[C@@H]1C[C@@H]1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 100052388 RTQFMHKEIOUPDD-COTURZNSSA-N 391.559 7.817 30 40 GKEB COc1ccc(C(=O)/C=C/c2ccccc2OCc2ccc(Cl)cc2)cc1 408650282 ARLUDTZFOUGRTC-XNTDXEJSSA-N 378.855 5.824 30 40 GKEB C=CCOc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 409089489 ISROBCSORJFAKW-SCELWYEFSA-N 378.541 6.086 30 40 GKEB CC(C)(C)Oc1cccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c1 409404247 OUZLIXFQLFKGKL-UHFFFAOYSA-N 397.478 5.123 30 40 GKEB CCOc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2CC(C)(C)CC3=O)cc1 677598 BMATVWGIWQAWLK-AREMUKBSSA-N 397.518 6.548 30 40 GKEB C=CCc1cc(C)ccc1Oc1nc(-c2cccc(OC)c2O)nc2ccccc12 2202879 BDRRMFHKDLUPKC-UHFFFAOYSA-N 398.462 5.840 30 40 GKEB O=C1/C(=C\c2cn(CCOc3ccccc3)c3ccccc23)Sc2ccccc21 3656398 HMTHIBXNDKNYHX-LFVJCYFKSA-N 397.499 6.050 30 40 GKEB Cc1ccc(C)c(/N=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)c1 8368046 GTDYHJBOLXPGTE-DHRITJCHSA-N 384.306 6.940 30 40 GKEB CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccccc1 9264267 FKJISGVXKYVBPV-AVRWGWEMSA-N 398.462 5.200 30 40 GKEB C=CCN1C(=O)C2=C(CCCC2)[C@@H]1c1c(-c2cccc(OC)c2)[nH]c2ccccc12 9668425 CJLXFHYFHJJWOY-RUZDIDTESA-N 398.506 5.783 30 40 GKEB CCn1cc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]3(C)C2=O)c(C)n1 35678389 VFYSTCQWVDOPQD-MBNUYKHQSA-N 390.527 5.036 30 40 GKEB CCCCCCCOc1ccc(C(=O)Nc2cc(-c3ccccc3)no2)cc1 98049038 NRBHNCYIGQHJNW-UHFFFAOYSA-N 378.472 5.943 30 40 GKEB Cc1cc(C)cc(-n2c(C)cc(/C=N/c3ccc(Br)cc3C)c2C)c1 100116498 OROSSGYLGQICNC-ZMOGYAJESA-N 395.344 6.533 30 40 GKEB C=CCSc1ccccc1C(=O)Nc1ccccc1C(=O)NC1CCCCC1 219803767 AEMVBYGBYIQXAM-UHFFFAOYSA-N 394.540 5.280 30 40 GKEB O=C1/C(=C/c2ccccc2)S/C(=N\c2ccccc2F)N1C1CCCCC1 408875252 ICXUQLHSMKEZER-WELATPIXSA-N 380.488 5.762 30 40 GKEB CCCCCCCCS(=O)(=O)N/N=C/c1c2ccccc2cc2ccccc12 3173086 AJJTVGKETXWNTC-HKOYGPOVSA-N 396.556 5.607 30 40 GKEB CCCCCCCCOc1ccc(/C=C2/C=C(c3ccccc3)OC2=O)cc1 3664074 SJGHGSPAVHWKBU-PYCFMQQDSA-N 376.496 6.407 30 40 GKEB COc1ccccc1[C@@H](CC/N=C/c1ccccc1O)[C@H]1CCOC(C)(C)C1 4027874 RFBQGXKIZQGLDS-AGTHYRQBSA-N 381.516 5.199 30 40 GKEB biogenic COc1ccc([C@@H](C#N)N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1OC 4558012 LXBMRKPVQBTWKB-XZOQPEGZSA-N 397.478 5.120 30 40 GKEB O=C(/C=C/c1csc(-c2ccccc2)n1)c1ccccc1OCc1ccccc1 4814034 YXXQKQPWIDYKRT-FOCLMDBBSA-N 397.499 6.285 30 40 GKEB CCn1cc(/C=C2/C[C@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]3(C)C2=O)c(C)n1 6490217 VFYSTCQWVDOPQD-RROWZALDSA-N 390.527 5.036 30 40 GKEB CCCOc1c(Br)cc(/C=N/c2cccc(C)c2C)cc1OCC 6880636 IYMIXIXRVLQEAL-LPYMAVHISA-N 390.321 6.004 30 40 GKEB Cc1cccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccccc4)ccc3C2=O)c1 9304686 XQAGCYLDFSRBBL-BESOIZRISA-N 382.415 5.230 30 40 GKEB CSc1nc(N[C@H]2CCCC[C@@H]2C)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 19820428 SIQKRTXMYGQOET-KXBFYZLASA-N 394.588 6.025 30 40 GKEB CCCCc1ccc(Nc2nc(SC)nc(-c3ccc(C)cc3)c2C#N)cc1 19820657 KCJPWZPDGAXRGG-UHFFFAOYSA-N 388.540 6.132 30 40 GKEB C=CCOc1ccc([C@@H]2Nc3ccc(C(=O)OCC)cc3[C@@H]3C=CC[C@@H]32)cc1 36081271 PRPBSJQJOURLFY-QTEQDKRBSA-N 375.468 5.255 30 40 GKEB Cc1ccc(Sc2ccc(/C=C3\S/C(=N/c4ccccc4)NC3=O)o2)cc1 59137830 PTIAXBQKRQUADE-AQTBWJFISA-N 392.505 5.631 30 40 GKEB CCCCCCCNC(=O)C[C@@H](C)CC(=O)N(c1ccccc1)c1ccccc1 98045480 BNINFPYTHAMWDS-OAQYLSRUSA-N 394.559 5.854 30 40 GKEB CCCCCCCCCOC(=O)NCNC(=O)OCCCCCCCCC 102129399 GSQPZDIXNSWIJT-UHFFFAOYSA-N 386.577 5.898 30 40 GKEB Cc1c(Br)cc(/C=C/C(=O)c2ccccc2)cc1Br 408620476 JHGRBGXJFJBBQP-BQYQJAHWSA-N 380.079 5.416 30 40 GKEB COc1ccc(Cl)cc1/C=C1/S/C(=N\c2ccccc2)N(C(C)C)C1=O 408910262 JFAMPCVCERZGLP-FTIPTLOASA-N 386.904 5.361 30 40 GKEB COC(=O)c1cccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)c1C 409066311 BOWOGNZSCFOMSU-ZVHZXABRSA-N 395.911 6.337 30 40 GKEB Cc1ccc(/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1C 409210999 LMDAMLQVVLQVPD-ZVHZXABRSA-N 394.312 6.396 30 40 GKEB COC(=O)c1ccc(Cn2cc(/C=N/c3cccc(Cl)c3)c3ccccc32)o1 409393634 RORUXKLNNUKFDC-WYMPLXKRSA-N 392.842 5.473 30 40 GKEB O=C(Oc1cccc(/C=N/c2ccccc2)c1)c1sc2ccccc2c1Cl 3668995 YAPKJJJAXCHDMO-ZVHZXABRSA-N 391.879 6.525 30 40 GKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3cc4ccccc4oc3=O)c2C#N)C1 6323245 XVGUKPWDOMLQCM-QQAHGDJHSA-N 390.508 5.628 30 40 GKEB Cc1ccc(N/C=C/C(=O)c2cccc(OCc3c(F)cccc3Cl)c2)cc1 100142931 MGGMJDXNDTXUJQ-OUKQBFOZSA-N 395.861 6.175 30 40 GKEB C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(O)C#Cc1ccccc1 245239708 LZYLYVQWNIUJNH-TXLJJDLMSA-N 392.583 5.173 30 40 GKEB Cc1cccc(C)c1-n1c(C)cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c1C 408591874 KWWNMYCRNBDWQT-YDZHTSKRSA-N 377.444 5.170 30 40 GKEB CSc1ccccc1/N=C/c1cc(C)n(-c2ccc(Br)cc2)c1C 408778643 JHWQZPWNSGOFSA-LPYMAVHISA-N 399.357 6.329 30 40 GKEB COc1ccc(Cl)cc1/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1 409066785 MHMFWQMGEJFLEW-YDZHTSKRSA-N 388.319 6.904 30 40 GKEB Cc1cc2cc(C[C@H](C#N)C(=O)Nc3c(C)cccc3C)c(Cl)nc2cc1C 883119 WCPJIGOTZHZCGC-LJQANCHMSA-N 391.902 5.443 30 40 GKEB COc1ccc(/C=N/c2ccc(-c3nc4ccc(C)cc4o3)cc2)cc1Cl 1424030 DFWJQGCNFNWSDG-ZMOGYAJESA-N 376.843 6.216 30 40 GKEB CCN(CC)CCOc1ccc(C(=O)/C=C\c2ccc(Cl)cc2Cl)cc1 4683498 USGNUULOYAWAKK-WQLSENKSSA-N 392.326 5.610 30 40 GKEB Oc1ccc(/C=N/N=c2\scc(-c3ccccc3)n2CCc2ccccc2)cc1 5736676 XJKKRAVGQIHAOD-FOWVXNRSSA-N 399.519 5.100 30 40 GKEB CCCC(=O)Nc1ccc(-c2csc(N/N=C/c3ccc(OC)cc3)n2)cc1 6782920 VKPITMQFLACXTR-LPYMAVHISA-N 394.500 5.003 30 40 GKEB C=C1CC[C@H](O)C/C1=C\C=C1/CCC[C@]2(C)[C@@H]1CC[C@@H]2[C@H](C)CCCC(C)C 9231972 QYSXJUFSXHHAJI-JNGZTZEESA-N 384.648 7.619 30 40 GKEB CCCN(Cc1ccc(-c2ccccc2C#N)cc1)Cc1nnc(-c2ccco2)o1 12974848 KWPOLHRLYNAHBB-UHFFFAOYSA-N 398.466 5.280 30 40 GKEB O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)Sc2ccccc21 13577260 XHRRWMHWTUQGIN-ZDLGFXPLSA-N 383.812 5.838 30 40 GKEB Cc1cccc(/C=N/c2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)c1O 32114766 GMDKHXWJPDGBMU-KIBLKLHPSA-N 398.796 6.191 30 40 GKEB CCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCC 85866178 WIYAGHSNPUBKDT-UHFFFAOYSA-N 398.628 7.134 30 40 GKEB CCCCCCCCCCOc1ccc(/C(=N\OC)c2cccc(OC)c2)cc1 97983554 JCGUZNHGRZBMLT-OCEACIFDSA-N 397.559 6.614 30 40 GKEB C#CCOC(=O)c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 226327206 DTMNGKAHLZXNPN-UHFFFAOYSA-N 399.657 5.024 30 40 GKEB Cc1cc(/C=N/c2ccc(Br)cc2)c(C)n1-c1ccc(Cl)cc1 408738023 LWBBOUQCRVREJK-WSDLNYQXSA-N 387.708 6.261 30 40 GKEB O=C(O)c1ccc(COc2ccccc2/C=N/c2ccc(F)c(Cl)c2)cc1 408961635 UHAMWKFDWIVLEA-WYMPLXKRSA-N 383.806 5.507 30 40 GKEB O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1cccn1-c1ccccc1 409284981 WBEIIWUSHZUTNO-UHFFFAOYSA-N 396.494 5.117 30 40 GKEB CC(C)c1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1 1021934 DODJWSAUPKSHHJ-UHFFFAOYSA-N 392.539 6.210 30 40 GKEB COc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1OC 1059412 OSFZQNVLAMMVOQ-MMTYYTLLSA-N 382.529 5.539 30 40 GKEB Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc(-c2nc3ncccc3o2)cc1 3140179 NXAGXTRWVZYWSF-AUEPDCJTSA-N 384.222 5.653 30 40 GKEB CC(C)(C)C(/C=N/Nc1ccccc1)=N/Nc1c(Cl)cc(Cl)cc1Cl 4265485 XSUZBZRFFXXIES-LGKZTXHJSA-N 397.737 6.559 30 40 GKEB S=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)o1)Nc1ccccc1 4549424 ZRYVURWFKNYFHR-UDWIEESQSA-N 387.917 5.405 30 40 GKEB C=CCOc1c(Cl)cc(/C=C2/C(=O)N(c3ccc(C)cc3)N=C2C)cc1OC 4628789 IIDJQPZSIWETTM-WOJGMQOQSA-N 396.874 5.028 30 40 GKEB Fc1ccc(-c2nn(-c3ccccc3)cc2/C=N/Nc2ccccc2Cl)cc1 4933726 VFPKWDOGSPXHBT-AFUMVMLFSA-N 390.849 5.778 30 40 GKEB C=CCc1ccc(OCCCCN2CCCC[C@@H]2c2cccnc2)c(OC)c1 8792561 SBSTXPOHYXUFGR-JOCHJYFZSA-N 380.532 5.205 30 40 GKEB biogenic Cc1ccc(-n2c(C)cc(/C=N/NCc3ccccc3Cl)c2C)cc1Cl 8811700 RTSLWUQYYBGNNG-DHRITJCHSA-N 386.326 5.833 30 40 GKEB C[C@H]1CCc2c(sc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)c2C#N)C1 12617512 BUZNDDFEFGDSGA-LBPRGKRZSA-N 388.920 5.194 30 40 GKEB C=C(C)CN(CC)C(=O)CSc1nc(C)nc2sc(-c3ccccc3)cc12 12648196 VYXYGVLDJYZUMB-UHFFFAOYSA-N 397.569 5.183 30 40 GKEB CC1(C)[C@H]2CC[C@]1(C)C(=O)/C2=C\C(\N=N\c1ccccc1)=N/Nc1ccccc1 13403961 IRSWEVIKRZNTFN-FTANRIATSA-N 386.499 6.148 30 40 GKEB CCOc1cc(/C=C2\Sc3ccccc3C2=O)cc(Br)c1OC 15009500 BNPQASJKGNKMIV-YBEGLDIGSA-N 391.286 5.186 30 40 GKEB C(#Cc1cc(C#Cc2ccccc2)cc(C#Cc2ccccc2)c1)c1ccccc1 59159508 YUOGUVUAZGQYFR-UHFFFAOYSA-N 378.474 5.886 30 40 GKEB in-vitro CCCCCCCC1CCC(c2ccc(-c3ccc(CCCC)cn3)cc2)CC1 97994387 XIHKTJIIOIJWAB-UHFFFAOYSA-N 391.643 8.726 30 40 GKEB O=[N+]([O-])c1ccc(-c2ccc(/C=N/c3c(-c4ccco4)nc4ccccn34)o2)cc1 100455455 YLUGBLWPEQPYRP-OEAKJJBVSA-N 398.378 5.513 30 40 GKEB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1sc2c(c1C#N)CCC2 408629072 LBCMYCPOAYRPOA-AATRIKPKSA-N 393.295 5.076 30 40 GKEB Cc1ccc(/N=C/c2cc(Br)c(Br)o2)cc1Cl 408855359 CMTDXHILTIUYOS-OMCISZLKSA-N 377.463 5.517 30 40 GKEB Cc1ccc(Sc2ccc(/C=N/Nc3ccc(C(F)(F)F)cn3)o2)cc1 409108521 WLMZYSUIJOVOII-FOKLQQMPSA-N 377.391 5.599 30 40 GKEB C=CCOc1c(Br)cc(CNc2ccc(Cl)cc2)cc1OC 409184266 WPKRLLGICSDFMT-UHFFFAOYSA-N 382.685 5.288 30 40 GKEB CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccccc2)C2=C1CC(C)(C)CC2=O 661335 HRHPOWSISNAKAL-UHFFFAOYSA-N 391.555 5.782 30 40 GKEB Cc1ccc(NC(=O)[C@@H](C#N)Cc2cc3ccc(C)cc3nc2Cl)c(C)c1 883033 JPGDFUAOVXPMRV-GOSISDBHSA-N 377.875 5.134 30 40 GKEB N#Cc1c(/N=C/c2cc(Cl)cc(Cl)c2O)sc2c1C1CCN2CC1 952801 JIBMKRBVTZATBB-ODCIPOBUSA-N 378.284 5.080 30 40 GKEB Cc1ccc(O)c(/C=N/c2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)c1 3114075 AQCLDZVTMSAALL-BHGWPJFGSA-N 397.261 6.566 30 40 GKEB O=C(Nc1ccc(/N=C\c2cc(Cl)ccc2O)cc1)c1cccc(Cl)c1 16398813 CNJOJMGLYPAJFZ-FMCGGJTJSA-N 385.250 5.702 30 40 GKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc4c(c3)COC4)c2C#N)C1 89642977 MSDAFKLPEKXMMV-MRXNPFEDSA-N 380.513 5.053 30 40 GKEB CCCCCCCCCCCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 97944218 FLYFFXVYWQMXFU-UHFFFAOYSA-N 389.540 5.164 30 40 GKEB CCCCCCCC[C@H](Nc1ccccc1)[C@@H](O)CCCCCCCC(=O)O 100696182 UPLSZYORZXQUHY-GOTSBHOMSA-N 391.596 6.394 30 40 GKEB O=C(/C=C/c1ccccc1)C(C(=O)c1ccccc1)=C1SCCCCS1 101659821 PJXGJMHHYRLEIW-BUHFOSPRSA-N 380.534 5.624 30 40 GKEB Cc1cccc(CCC2(NC(=S)Nc3ccc(CC#N)cc3)CCCC2)c1 225853312 IDHUWPCILIOMDM-UHFFFAOYSA-N 377.557 5.293 30 40 GKEB C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(O)C#Cc1ccccc1 253617431 LZYLYVQWNIUJNH-MNTNTIDOSA-N 392.583 5.173 30 40 GKEB COc1ccc(C(=O)/C=C/c2c(C)n(Cc3ccc(F)cc3)c3ccccc23)cc1 408668331 WDMQEDNYAOQXTM-FOCLMDBBSA-N 399.465 6.042 30 40 GKEB CC(C)n1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)c2ccccc21 408894801 GDWBHNPUQSSNEL-UHFFFAOYSA-N 388.511 5.265 30 40 GKEB C=CCOc1ccc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)cc1 409230424 DAJKFDXQUNQJDQ-QSAWGAGVSA-N 382.460 5.014 30 40 GKEB C=CCSc1nc2c(c(=O)n1Cc1ccccc1)C(C)(C)Cc1ccccc1-2 2115838 NMBQLMMTWGLWGL-UHFFFAOYSA-N 388.536 5.070 30 40 GKEB Clc1ccc(/C=C/C=N/c2ccc3oc(-c4ccc(Cl)cc4)nc3c2)cc1 4671881 YFINLYBLTOAHSJ-HLJIXCGCSA-N 393.273 7.217 30 40 GKEB Cc1ccccc1/N=C/c1cc(Cc2ccccc2)cc(Br)c1O 6451450 LXMVUOOEQDMEIL-OEAKJJBVSA-N 380.285 5.805 30 40 GKEB CC(=O)c1cccc(N2Cc3ccccc3/C2=N\C(=O)c2ccc(Cl)cc2)c1 12588555 OXIVLZREMSVKQG-YYDJUVGSSA-N 388.854 5.150 30 40 GKEB CCN(CC)c1ccc(Nc2nc(SC)nc(-c3ccccc3)c2C#N)cc1 19820780 HHEHPQMUEIGRHP-UHFFFAOYSA-N 389.528 5.327 30 40 GKEB CCCCCCCCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)O)cc2)cc1 59608692 LORJGQZMXHTQRI-LICLKQGHSA-N 396.483 5.743 30 40 GKEB Oc1ccc(Cl)cc1/C=N/c1ccc(O)c(-c2nc3ccccc3s2)c1 100812532 RKGZQJKMWUYTFR-SSDVNMTOSA-N 380.856 5.779 30 40 GKEB CCOc1ccccc1/C=N/c1oc(-c2ccccc2)c(-c2ccccc2)c1C#N 141176746 XCSRBDTYZVDQAE-MTDXEUNCSA-N 392.458 6.635 30 40 GKEB CCCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)cc1 408908251 QSVJFEXLFBFPCY-OCIPIQTLSA-N 380.513 5.488 30 40 GKEB CCCCN1C(=O)/C(=C\c2ccc(OC)c(C)c2)S/C1=N\c1ccc(C)cc1 408909175 GMKIAPZHZIFDPL-NVZLDUMVSA-N 394.540 5.716 30 40 GKEB CCc1cccc(C)c1-n1c(C)cc(/C=N\c2ccc(Cl)cc2Cl)c1C 408960258 KIWPBMLYSRUGOX-MXAYSNPKSA-N 385.338 7.022 30 40 GKEB Cc1cccc(Cn2cc(C=C3C(=O)c4ccccc4C3=O)c3ccccc32)c1 409000132 MPSWUVDDMKLQIZ-UHFFFAOYSA-N 377.443 5.461 30 40 GKEB COc1ccc(Oc2ccc(N/C(C)=C/C(=O)c3ccc(OC)cc3)cc2)cc1 409095538 CZBVXEFZQKJSDG-WUKNDPDISA-N 389.451 5.695 30 40 GKEB CC(C)(C)/C(=N/C(=O)Oc1ccc2c3c(c(=O)oc2c1)CCC3)c1ccccc1 726785 YBGMXKLEWAKALJ-NJNXFGOHSA-N 389.451 5.316 30 40 GKEB CN(C)c1ccc(-c2nc3cc(/N=C/c4cccc([N+](=O)[O-])c4)ccc3o2)cc1 826370 SGDYCIWJERHIPC-OEAKJJBVSA-N 386.411 5.220 30 40 GKEB Oc1ccc(Cl)cc1/C=N/c1ccc2oc(-c3ccc(Cl)cc3)nc2c1 847935 VEOIBEOENDZGJZ-FOKLQQMPSA-N 383.234 6.258 30 40 GKEB Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(F)cc2)cc1 1076894 ZTFPMUGGAUJJRF-SIBVEZHUSA-N 398.481 6.114 30 40 GKEB Cc1ccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1 2184987 IKKDEKJOTRYZJH-FTJNEJEMSA-N 384.504 5.799 30 40 GKEB Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc2oc(-c3cccnc3)nc2c1 3066580 SNNFTVNOZZRTTN-AUEPDCJTSA-N 384.222 5.653 30 40 GKEB CCc1ccc2oc(-c3cccc(/N=C\c4cccc([N+](=O)[O-])c4O)c3)nc2c1 4592665 NZCMVWWYEFYJOR-QRVIBDJDSA-N 387.395 5.422 30 40 GKEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/c2ccc(Br)cc2)o1 4740757 ZJWZTVWFNTYHLF-SRZZPIQSSA-N 384.229 5.466 30 40 GKEB CC1(C)CC2=NC3=C(C(=O)CC(C)(C)C3)[C@H](c3ccc4c(c3)OCO4)C2=C(O)C1 4816032 OOPVWEDAQPUTMZ-HXUWFJFHSA-N 393.483 5.229 30 40 GKEB O=C(/C=C/c1ccc(C2CCCCC2)cc1)c1ccccc1OCc1ccccc1 5279082 SGDZFXQJVTWGTJ-LVZFUZTISA-N 396.530 7.209 30 40 GKEB Cc1ccc(C)c(C(=O)CSc2cc(C)c(C#N)c3nc4ccccc4n23)c1 6315068 ICRSXBXAJKZYEB-UHFFFAOYSA-N 385.492 5.259 30 40 GKEB CCc1ccc(/N=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 8084837 NRALOJXRXSEWBD-MFKUBSTISA-N 379.887 6.241 30 40 GKEB N#C[C@@H](C(=O)c1cc2c(s1)CCCCC2)c1ncc(C(F)(F)F)cc1Cl 84338475 MHEPKPYFZOWRET-GFCCVEGCSA-N 398.837 5.574 30 40 GKEB CCCCCCCOc1ccc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)cc1 100171923 IUKAVACMTIPTJJ-QNGOZBTKSA-N 397.902 6.034 30 40 GKEB COc1ccccc1/C=C1\S/C(=N\c2ccccc2)N(C2CCCC2)C1=O 100288576 KIDVENPRLZSWAT-BLFRMDKKSA-N 378.497 5.242 30 40 GKEB CCCC(C)(C)[C@@H]1C[C@H](C)CC/C1=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 101673103 VYVCOPUKBOFTDG-DQSWUDLWSA-N 376.457 5.533 30 40 GKEB CCCCCCCCCCCCCCCCn1cnc2c(Cl)ncnc21 104189480 MNYXZLVVPSMJBC-UHFFFAOYSA-N 378.992 6.961 30 40 GKEB Cc1cc(/N=C\c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)cc([N+](=O)[O-])c1C 408769214 PKYMNZCYRGFUBP-UUYOSTAYSA-N 392.415 5.278 30 40 GKEB N#Cc1ccc(-c2ccc(/C=N/c3ccc(Br)c(Cl)c3)o2)cc1 409024081 UJKOCUCVDRWSAX-SSDVNMTOSA-N 385.648 5.985 30 40 GKEB CCOc1ccc(-n2c(C)cc(/C=N/c3cc(C(=O)O)ccc3Cl)c2C)cc1 409184759 MYEJOARIZLGLPL-ZMOGYAJESA-N 396.874 5.595 30 40 GKEB CCOc1ccc2oc(-c3ccccc3)c(C(=O)OC3=CC(=O)CCC3)c2c1 1463650 QBYNDRCYBXVUJW-UHFFFAOYSA-N 376.408 5.292 30 40 GKEB C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(C)cc1 2450597 IMTYTAWZLLHLNU-UHFFFAOYSA-N 390.339 6.039 30 40 GKEB C=C(C)Cn1c([C@H]2CC(=O)N(c3ccc(CCCC)cc3)C2)nc2ccccc21 4033321 YRRZWUDEMFZILJ-FQEVSTJZSA-N 387.527 5.476 30 40 GKEB CCCCCC1CCC(c2ccc(/N=C/c3ccc4c(c3)OCO4)cc2)CC1 4092457 RPZHAAUKUUOBPW-YZSQISJMSA-N 377.528 7.020 30 40 GKEB CC[C@@H](C)Oc1ccc(/C=C2/S/C(=N\c3ccccc3)NC2=O)cc1Cl 4545783 GXIFCQILLXOKNT-RNEAKCBISA-N 386.904 5.409 30 40 GKEB Fc1ccc(COc2ccc(/C=N/Nc3nc4ccccc4s3)cc2)cc1 4974129 PMURFKZFVBDTJR-YDZHTSKRSA-N 377.444 5.460 30 40 GKEB Cc1ccccc1COc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O 5143743 IXOPAVIKEWFSFY-UUYOSTAYSA-N 394.829 5.983 30 40 GKEB Cc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1ccccc1Cl 6962286 DJGUUTGGVAOJOY-KIBLKLHPSA-N 392.812 5.607 30 40 GKEB Cc1ccc(/N=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)cc1 8371737 PARXHGKCYMLREG-WGOQTCKBSA-N 396.446 6.386 30 40 GKEB N#Cc1nc(-c2cccc3ccccc23)oc1NC[C@@H](c1ccco1)N1CCCC1 27562179 QBUAGIPXXFNYCR-NRFANRHFSA-N 398.466 5.208 30 40 GKEB N#Cc1nc(-c2ccccc2)oc1N1CCC(c2nc3ccccc3s2)CC1 27562781 WKVBKGNOIYIDPQ-UHFFFAOYSA-N 386.480 5.207 30 40 GKEB CCCCCCCCC/C=N\NC(=S)N/N=C\CCCCCCCCC 104376457 UZHVXCIQANJNCQ-IKJQKJQYSA-N 382.662 6.704 30 40 GKEB COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3[C@@H]3O[C@@H]3[C@@]21C 119169771 FXRYPRSTXONWAP-BCKNHDKGSA-N 388.592 5.612 30 40 GKEB N#Cc1ccccc1CSc1nnc(COc2ccc(Cl)cc2Cl)o1 122228115 BSDLJADCIMCGMW-UHFFFAOYSA-N 392.267 5.119 30 40 GKEB C(=NN1CCN(Cc2ccccc2)CC1)c1c2ccccc2cc2ccccc12 254311394 ZJNUROJTMAOEDO-UHFFFAOYSA-N 379.507 5.145 30 40 GKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCC(C)C)cc3)S2)c(C)c1 408605212 XOMFPDJFDFPUIN-NDENLUEZSA-N 380.513 5.230 30 40 GKEB C=CCc1cc(CNc2ccccc2)cc(OC)c1OCc1ccccc1F 409109434 DUPPTIVBVZUQDW-UHFFFAOYSA-N 377.459 5.754 30 40 GKEB N#Cc1c(/N=C2\C(=O)N(Cc3ccccc3)c3ccccc32)sc2c1CCCC2 409115181 JDOIUJWMDWBREO-ROMGYVFFSA-N 397.503 5.166 30 40 GKEB COc1ccc(Oc2ccc(N/C=C/C(=O)c3cccc4ccccc34)cc2)cc1 409178378 LTAWGMZYJVRCSV-ISLYRVAYSA-N 395.458 6.449 30 40 GKEB CCCCOc1ccc(/C=C/C(=O)/C=C/c2ccc(OCCCC)cc2)cc1 2052720 PGDFHHWDEYAULU-FNCQTZNRSA-N 378.512 6.340 30 40 GKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cc(-c4ccco4)on3)c2C#N)C1 4881123 GACVMHWCVVIXCG-GFCCVEGCSA-N 395.484 5.271 30 40 GKEB CC[C@@H]1CS/C(=N\CCc2ccccc2)N1Cc1ccc(Cl)cc1Cl 102887168 MPPHOPHCOWGVEB-HBWVRPOVSA-N 393.383 5.920 30 40 GKEB CCCCCCCCCCCCCCCCOC(=N)c1ccc(O)c(OC)c1 104324807 YTYBVIPBLRSIRX-UHFFFAOYSA-N 391.596 7.224 30 40 GKEB CC/N=C1\S/C(=C\c2cc3c(cc2C)N(CC)C(C)(C)C[C@H]3C)C(=O)N1CC 260562679 BEIPOEGPTCWXCX-ASFKSJPFSA-N 399.604 5.419 30 40 GKEB CCCC(=O)c1c(C)cc(C)c([C@H]2CC(=O)C(C(CC)=NOCC)=C(O)C2)c1C 299888842 ZOGDSYNXUXQGHF-QGZVFWFLSA-N 399.531 5.656 30 40 GKEB Cc1ccc(/C(Cc2ccc([N+](=O)[O-])cc2)=N\OC(=O)c2ccccc2)c(C)c1 408722120 FBPZJLURLIRYQK-GYHWCHFESA-N 388.423 5.015 30 40 GKEB Cc1cc([N+](=O)[O-])ccc1/N=C/c1cc(C)n(-c2ccc(N(C)C)cc2)c1C 408740016 HQHPDPIKEFHUHU-OEAKJJBVSA-N 376.460 5.127 30 40 GKEB Cc1ccc(Cl)cc1/N=C/c1cc(Br)c(Br)o1 408955702 YPNUCVNSHPSJCG-OMCISZLKSA-N 377.463 5.517 30 40 GKEB Cc1cccc(N=C2NC(=O)/C(=C/c3ccc(Sc4ccccn4)o3)S2)c1 408994241 YLBGFLFJGWGNLT-VBKFSLOCSA-N 393.493 5.026 30 40 GKEB Clc1ccccc1CSc1nncn1/N=C/c1c(Cl)cccc1Cl 1917899 WINZKNIAUDTSFT-ODCIPOBUSA-N 397.718 5.413 30 40 GKEB CC(C)(C)c1cc(/C=N/Nc2ccc3ccccc3n2)cc(C(C)(C)C)c1O 4703206 CWBUZHSSXNAQDS-MFKUBSTISA-N 375.516 5.981 30 40 GKEB Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2cccc3ccccc23)c(C)c1 8368597 JVCLSZPVYLSWDA-LQKURTRISA-N 399.921 7.440 30 40 GKEB Cc1ccc(-n2c(C)cc(/C=N/NCc3c(Cl)cccc3Cl)c2C)cc1 9196429 JCHPZDZLWSKWPW-WYMPLXKRSA-N 386.326 5.833 30 40 GKEB C=C1CC[C@H](O)C/C1=C\C=C1/CCC[C@]2(C)[C@@H]1CC[C@@H]2[C@@H](C)CCCC(C)C 13813123 QYSXJUFSXHHAJI-LHTDURRCSA-N 384.648 7.619 30 40 GKEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2cccs2)cc1 20745458 JKWPECDRTOODDB-LHSJRXKWSA-N 392.480 5.011 30 40 GKEB CCCCCCCCCCCCCCCOC(=O)CC(Cl)=C(Cl)Cl 98005214 UGHWYRIJSUIIBZ-UHFFFAOYSA-N 399.830 7.896 30 40 GKEB C=CCOC(=O)/C=C/c1ccc(OC)c(OCc2ccc(Cl)cc2Cl)c1 216898981 KSKJKWGWBWHPEY-WEVVVXLNSA-N 393.266 5.323 30 40 GKEB COc1cc(C)c(/C=N/c2ccc(Oc3ccccc3OC)cc2)cc1OC 408548042 CHYIIVPXHQLSMW-BUVRLJJBSA-N 377.440 5.564 30 40 GKEB Cc1ccc(N/N=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)c(C)c1 408719017 FVXWERNDTLSRNT-VULFUBBASA-N 387.914 6.406 30 40 GKEB Cc1ccc(/N=C2\S/C(=C/c3c(F)cccc3Cl)C(=O)N2C(C)C)cc1 408908406 DUYQDDWTDUDHOI-DSBFQLCGSA-N 388.895 5.800 30 40 GKEB CCOc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1OC 409082407 LYNXITRSFFMMER-MMDHUZEPSA-N 396.556 5.929 30 40 GKEB Cc1cccc(-c2nc3cc(/N=C/c4cc(Cl)cc(Cl)c4O)ccc3o2)c1 1922762 MBKSWPXNLXKKTD-BHGWPJFGSA-N 397.261 6.566 30 40 GKEB C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)[C@@H](C)CCC3 2298096 QKXOADDWWODRFX-HNNXBMFYSA-N 396.581 5.864 30 40 GKEB C=C(C)Cn1c(SC(C)C)nc2sc3c(c2c1=O)CCc1ccccc1-3 2359304 ISLUYCSSPGRAFC-UHFFFAOYSA-N 382.554 5.300 30 40 GKEB CC(=O)Nc1cc(Cl)c(/N=C/c2cccc(Oc3ccccc3)c2)cc1Cl 3212089 RQLWTAJAMXGKPP-ZMOGYAJESA-N 399.277 6.495 30 40 GKEB Clc1cccc(COc2ccccc2/C=N/Nc2nc3ccccc3s2)c1 4545165 JNHJOLSJFDBEFI-YDZHTSKRSA-N 393.899 5.975 30 40 GKEB N#C[C@H](Cc1ccccc1)Sc1nnc(-c2ccccc2)n1-c1ccccc1 6831585 NUQCPSJTBJBISO-NRFANRHFSA-N 382.492 5.161 30 40 GKEB CCCOc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1OCC 6942385 VVWAWCHOFATNSB-XIEYBQDHSA-N 375.468 6.417 30 40 GKEB Cc1ccccc1[C@@H]1C2=C(C[C@@H](c3ccco3)CC2=O)Nc2nc3ccccc3n21 7495975 YSCAAUYCTFNRIO-VOIUYBSRSA-N 395.462 5.353 30 40 GKEB CC1(C)CS/C(=N\Cc2ccccc2)N1C(=O)CCc1c[nH]c2ccccc12 12529205 CPYOHXXWDFZEMW-LVWGJNHUSA-N 391.540 5.011 30 40 GKEB CCCCCCCCCCOc1ccc(/C(Cc2ccccc2)=N/O)c(O)c1 100925824 WVUVSQXIHNPGDV-WJTDDFOZSA-N 383.532 6.333 30 40 GKEB CC(C)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)c(C#N)c1 225765963 ZFIXNPPWOUFFDD-UHFFFAOYSA-N 396.918 5.839 30 40 GKEB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccccc1)C2=O 253617291 PORULZDRKHXBSZ-MKFPJELYSA-N 376.540 5.573 30 40 GKEB Cc1cc(/C=N/c2sc3c(c2C#N)CCCC3)c(C)n1-c1ccc(F)cc1 408738365 WAOSQPMOBCBMKO-DHRITJCHSA-N 377.488 5.796 30 40 GKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N\c3ccc(Cl)cc3)c2C)c1 408965832 IXFOOUOWTNAIPM-OYKKKHCWSA-N 380.875 5.675 30 40 GKEB COc1c(Cl)cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1Cl 409048239 RYMDGLWOBICQAD-UHFFFAOYSA-N 393.266 5.130 30 40 GKEB Cc1cc(/N=C/c2ccc(-c3ccc(C(=O)O)cc3C)o2)ccc1Br 1095475 OYWZHWCGKSVQRL-SSDVNMTOSA-N 398.256 5.775 30 40 GKEB CC(C)CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 1634048 PPYHLSBUTAPNGT-VTSYCQLTSA-N 386.576 5.866 30 40 GKEB biogenic Oc1c(Cl)cc(Br)cc1/C=N/c1ccc(N2CCCC2)cc1 3068716 SRGQHCFKUFJECT-RGVLZGJSSA-N 379.685 5.159 30 40 GKEB Cc1cccc(N/N=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)c1 4175323 PLAINMUXOYVVJZ-XQNSMLJCSA-N 397.301 5.221 30 40 GKEB C(=N/Nc1nncc(-c2ccccc2)n1)\c1c2ccccc2cc2ccccc12 4476776 RSFPPCWGJBUAAU-MFKUBSTISA-N 375.435 5.291 30 40 GKEB CCCCCC1CCC(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)CC1 4661371 ABLOCJKXEFSPCF-UHFFFAOYSA-N 375.512 6.517 30 40 GKEB N#Cc1c(C(F)(F)F)cc(-c2ccco2)nc1SCCN1CCCCCC1 5555825 XCZOPLWHENMQGP-UHFFFAOYSA-N 395.450 5.200 30 40 GKEB Cc1cccc2sc(N(Cc3ccccc3)C(=O)c3cccc(C#N)c3)nc12 6628311 FSRXKFPXVUHJMM-UHFFFAOYSA-N 383.476 5.323 30 40 GKEB CCOc1ccc(/N=C/c2c(OCc3ccccc3)ccc3ccccc23)cc1 6962093 LSWHVERJVPVLMU-OVVQPSECSA-N 381.475 6.568 30 40 GKEB C=CCOc1ccc(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1 13687803 SJIFPFGJEVOXJP-UHFFFAOYSA-N 393.870 5.736 30 40 GKEB N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SC[C@@H]1CCCCO1 26704172 ZKPHVDHQYUDPJS-NSHDSACASA-N 384.448 5.362 30 40 GKEB O/C(CN1CCCCC1)=N\c1ncc(Cc2ccc(Cl)c(Cl)c2)s1 49640517 KVYUTVARXWRBMS-UHFFFAOYSA-N 384.332 5.115 30 40 GKEB Clc1ccc(/C=N/C2=N[C@@H](c3ccco3)[C@H](c3ccco3)S2)c(Cl)c1 59461326 BYHMDPNBWWCVOH-LSKIEAMNSA-N 391.279 6.184 30 40 GKEB Cc1cccc(NC2=C(c3ccc(C(F)(F)F)cc3)C(=O)c3ccccc32)c1C 101091699 NORVRLHRXFQVES-UHFFFAOYSA-N 393.408 6.499 30 40 GKEB COc1cccc(/C=N/c2ccc(NC(=O)c3cc4ccccc4o3)cc2)c1O 102419356 JZKAQJRYLLFWLV-ZVHZXABRSA-N 386.407 5.150 30 40 GKEB CC1(C)CC2=NC3=C(C(=O)c4ccccc43)[C@H](c3ccccc3Cl)C2=C(O)C1 102676790 YORLXTQJIUNPIX-LJQANCHMSA-N 389.882 6.118 30 40 GKEB CCCCCCCCCCCCCCCCCCCC(F)(F)C(F)(F)F 103526239 KORYYWNANBYGHI-UHFFFAOYSA-N 386.533 9.226 30 40 GKEB CC(C)/N=C(\CP(N(C(C)C)C(C)C)N(C(C)C)C(C)C)c1ccccc1 104840361 SRFRKWGDVQZNQS-WCWDXBQESA-N 391.584 6.434 30 40 GKEB CCCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)c(C#N)c1 225760387 FYMMNUORQYPFJV-UHFFFAOYSA-N 390.527 5.886 30 40 GKEB O=[N+]([O-])c1cccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)c1 408936548 KZSAZSDLQFIKDX-QOGPNBCKSA-N 395.462 6.172 30 40 GKEB CCOc1ccc(-n2c(C)cc(/C=N/c3cc(Cl)ccc3OC)c2C)cc1 409187708 UCLKYDJVNOFCKH-ZVHZXABRSA-N 382.891 5.905 30 40 GKEB COc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(F)cc1 409212975 NRUGTTZFJNKHBD-LGJNPRDNSA-N 397.877 6.434 30 40 GKEB COc1cccc(/C=N/c2ccc(Nc3ccccc3)cc2)c1O[C@H](C)C(=O)O 409227148 PLUGUKVWTVJOMA-DTVDJLOLSA-N 390.439 5.041 30 40 GKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccc(C(=O)OC)cc2)cc1OC 409377327 GIYRDAIQMLOSTP-UMYHVIPVSA-N 375.852 5.063 30 40 GKEB FC(F)(F)CNc1cccc(OCCC(F)(F)C(F)(F)Br)c1 1083811837 WQKLBUYAMOQSEI-UHFFFAOYSA-N 398.116 5.053 30 40 GKEB N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCc1ccccc1F 1029521 GCHPAYBOAQQVJX-UHFFFAOYSA-N 388.389 6.070 30 40 GKEB COc1ccc2ccccc2c1/C=N/c1ccc(I)cc1 1087233 XKBSFKMVWZLCNT-UDWIEESQSA-N 387.220 5.204 30 40 GKEB COc1ccc(/C=N/CC[C@@H](c2ccccc2)[C@H]2CCOC(C)(C)C2)cc1OC 4027130 NATKEWUCHCEYAD-QPFNJAHXSA-N 395.543 5.502 30 40 GKEB biogenic Cc1ccccc1N/N=C(\C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 4175316 UINWSIMGQJTMNC-LFVJCYFKSA-N 387.295 5.765 30 40 GKEB Clc1ccccc1/N=N/C(=N/N=c1/[nH]c2ccccc2s1)c1ccccc1 4524582 ASHZYYDPBHSJEK-VNORZSCYSA-N 391.887 5.929 30 40 GKEB O=C(/C=C/c1ccc(-c2cccc(Cl)c2)o1)c1ccc(Br)cc1 5214810 CBCZFYCPPVKDOX-CSKARUKUSA-N 387.660 6.259 30 40 GKEB C[C@@H](CN(C)C)C(/C=C\c1ccc(Cl)c(Cl)c1)=N\Nc1ccccc1 5759497 MHXJNMINLOJZPT-CMFMNHQMSA-N 376.331 5.672 30 40 GKEB CN(CCC#N)c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 6475683 AIDAHUUAIZHVJB-UHFFFAOYSA-N 378.479 5.761 30 40 GKEB CCCOc1c(Cl)cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1OC 6880703 GBNDNUMWJIKBPN-PCLIKHOPSA-N 395.886 6.680 30 40 GKEB N#Cc1ccccc1-c1ccc(CN2CCC(c3nc4ccccc4o3)CC2)cc1 12907182 YMFFTIWOPBKKJI-UHFFFAOYSA-N 393.490 5.746 30 40 GKEB Cc1ccc2oc(-c3cccc(/N=C\c4ccc(Cl)c(Cl)c4)c3)nc2c1 18021506 SWFWXHNCAUBPGW-MSXFZWOLSA-N 381.262 6.861 30 40 GKEB CCCCCCCCOc1ncnc2c1sc1nc3c(cc12)COC(C)(C)C3 53306008 IUQNJZQHWQYJOM-UHFFFAOYSA-N 399.560 5.830 30 40 GKEB Cc1ccc2[nH]c(=O)c(C(=O)/C=C/c3cccc(Cl)c3)c(-c3ccccc3)c2c1 95116845 VLXSMMJOCLDZCK-ACCUITESSA-N 399.877 6.053 30 40 GKEB CCCCCCCCNc1c(CCC)c(C)c(C#N)c2nc3ccccc3n12 96021539 XNOGMGXPOWPDGX-UHFFFAOYSA-N 376.548 6.393 30 40 GKEB Cc1cc2c(cc1/C=N\c1ccc(N(C)C)cc1)[C@@H](C)CC(C)(C)N2C(C)C 223618149 KILVGMSRIKBGGC-HPUZFYODSA-N 377.576 6.312 30 40 GKEB C=CCOc1cccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)c1 225675785 SDINWEBYJPVCOK-LJQANCHMSA-N 382.529 5.149 30 40 GKEB COc1ccc(-c2nc(/N=C/c3ccc(F)cc3)sc2-c2ccccc2)cc1 408722247 FTLDWCZKSQMURP-MFKUBSTISA-N 388.467 6.375 30 40 GKEB Cc1ccc(-n2c(C)cc(/C=N\c3cccc(Br)c3)c2C)cc1C 408741128 OBHLUEABBFSLGW-QRVIBDJDSA-N 381.317 6.224 30 40 GKEB C1=C[C@@H]2c3ccccc3N[C@@H](c3ccc(/N=C/c4cc5ccccc5[nH]4)cc3)[C@H]2C1 408940031 TVXUVKLXFVUWNG-YSIKMMNKSA-N 389.502 6.745 30 40 GKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3cc(Cl)ccc3C)c2C)c1 408966555 NFKQDTMWGSRVTI-AFUMVMLFSA-N 394.902 5.983 30 40 GKEB COc1ccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1 408980807 XVUVCVYDHYLWCB-BUVRLJJBSA-N 376.525 6.617 30 40 GKEB C#CCOc1c(Br)cc(CNc2ccc(C)cc2C)cc1OCC 409114605 KLHNIBPQMWLYNC-UHFFFAOYSA-N 388.305 5.089 30 40 GKEB CCOc1ccc(N/N=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc1 4175361 MCVQSYDMOFJQOW-NCELDCMTSA-N 376.485 5.165 30 40 GKEB Cc1ccc2c(c1)N[C@H](c1c(F)cccc1Cl)C1=C(CC(C)(C)CC1=O)N2 5218485 RHZHUVHAOMPSGO-OAQYLSRUSA-N 384.882 6.009 30 40 GKEB c1ccc(/N=C2\SC(=NNc3ccccc3)S\C2=N/c2ccccc2)cc1 8399265 UCCZGUNZUWTDPB-IKJQKJQYSA-N 388.521 6.310 30 40 GKEB CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1sccc1C 18244469 MCUZOIXXLQXJBK-OAQYLSRUSA-N 394.540 5.610 30 40 GKEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1cccs1)n1c(nc3ccccc31)N2 18266709 SRGMCGJVUINXLM-QMHKHESXSA-N 397.503 5.514 30 40 GKEB Oc1ccccc1/C=N/c1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1 32114873 ANFBFZPDECMMTA-YSURURNPSA-N 384.769 5.883 30 40 GKEB Cc1cc(C23CC4CC(CC(C4)C2)C3)ccc1/N=C/c1cc(Cl)ccc1O 36625096 PYSIIGCTAGHLRI-VULFUBBASA-N 379.931 6.572 30 40 GKEB Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)C[C@H]1C[C@H]2CC[C@@H]1C2 69372838 HGTLEWYPYWLQSE-PWRODBHTSA-N 376.475 5.365 30 40 GKEB CCCCCCCCC/C=N/NC(=S)N/N=C/CCCCCCCCC 104376462 UZHVXCIQANJNCQ-WDAKLKSISA-N 382.662 6.704 30 40 GKEB N#Cc1cc(N)c(Sc2ccc(Cl)cc2)n1Cc1cccc2ccccc12 225889149 XICDBVWSQPIMDK-UHFFFAOYSA-N 389.911 5.948 30 40 GKEB C[C@H](NC(=O)c1ccccc1N=Cc1c(O)ccc2ccccc12)c1ccccc1 254838740 UXJFDYIHRJGPFS-SFHVURJKSA-N 394.474 5.787 30 40 GKEB COc1ccc(/N=C\c2c(Br)c(C)n(-c3ccccc3)c2C)cn1 408852719 MTHPKNFHPWYLAJ-MTJSOVHGSA-N 384.277 5.011 30 40 GKEB O=C(O)c1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1 408933952 CKMHAQDGYASKAT-QDMJJKQJSA-N 394.474 5.962 30 40 GKEB COc1cccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c1 843750 HSQIZMYZKZMLNW-RUZDIDTESA-N 383.491 6.158 30 40 GKEB Cc1ccc2cc(C#N)c(SCC(=O)Nc3ccc(C)c(Cl)c3)nc2c1 898920 UFMVJMPRCUZVSI-UHFFFAOYSA-N 381.888 5.108 30 40 GKEB N#CC1(Nc2ccc(-c3ccc(I)cc3)cc2)CCCC1 1686512 HFWPVFSZXUUNDD-UHFFFAOYSA-N 388.252 5.206 30 40 GKEB COc1ccc(C2=C(Nc3ccc(C(C)C)cc3)c3ccccc3C2=O)cc1OC 2504494 LVHZZZXSEGXGEK-UHFFFAOYSA-N 399.490 6.004 30 40 GKEB Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/c3ccc(C)cc3C)cc2)cc1 3060998 LVJYAVNXDQHHAL-HZHRSRAPSA-N 379.481 5.130 30 40 GKEB O=[N+]([O-])c1ccc(-c2ccc(/C=N/c3ccc4c(c3)oc3ccccc34)o2)cc1 3074930 YKHNQAUDXPNUFO-ZVHZXABRSA-N 382.375 6.505 30 40 GKEB COc1ccc(/N=C2/S/C(=C/c3ccccc3)C(=O)N2c2ccccc2)cc1 5513497 MOPURGOFJQGFKO-BUUFFXLRSA-N 386.476 5.504 30 40 GKEB CCn1cc(/C=C2/C[C@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]3(C)C2=O)c(C)n1 6490220 VFYSTCQWVDOPQD-RLZTVYAPSA-N 390.527 5.036 30 40 GKEB CCOc1ccc2cc(C#N)c(SCC(=O)c3ccc(Cl)cc3)nc2c1 35312311 MTRCGEWZGWIESM-UHFFFAOYSA-N 382.872 5.134 30 40 GKEB COc1ccc2c(c1)CC[C@@H]1[C@@H]3C/C(=C\c4ccc(F)cc4)C(=O)[C@@]3(C)CC[C@@H]21 36614423 XDSUORUHJZFDRR-IHUJNQPGSA-N 390.498 5.953 30 40 GKEB N#C[C@@H](NC(=O)c1ccc(F)c(C(F)(F)F)c1)c1cccc(Cl)c1Cl 78718768 RFZJHMPJGQUJEN-CYBMUJFWSA-N 391.151 5.146 30 40 GKEB CCCCCCC/C(=N/Nc1ccccc1)c1c(C)nn(-c2ccccc2)c1O 100934738 QQMVDIRHTQOYCW-ROMGYVFFSA-N 390.531 6.063 30 40 GKEB CCCCc1ccc(-n2c(C)cc(/C=N/OCc3ccccc3C#N)c2C)cc1 408592396 MICGNBACVSHAER-WPWMEQJKSA-N 385.511 5.859 30 40 GKEB CCCCCCCOc1ccccc1/C=C1\N=C(c2cccc(F)c2)OC1=O 408924783 RAODFDGKIRZCIM-SILNSSARSA-N 381.447 5.519 30 40 GKEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3cccc4ccccc34)c2C)c(C)c1 408944009 ZYQKCOMCJYTPNG-JVWAILMASA-N 396.490 6.093 30 40 GKEB Cc1ccc(N2C(=O)CC[C@@]2(C#N)c2ccccc2OCc2ccccc2)cc1 987625 SFWZUGZAGUFXGA-RUZDIDTESA-N 382.463 5.120 30 40 GKEB Oc1ccc2ccccc2c1/C=N/c1ccc(-c2nc3cc(Cl)ccc3o2)cc1 2055893 VYZASUVXCDEQFB-VULFUBBASA-N 398.849 6.758 30 40 GKEB Clc1cccc(Cl)c1CO/N=C/NOCc1c(Cl)cccc1Cl 3133238 IVCLXOFJMYIYDI-UHFFFAOYSA-N 394.085 5.482 30 40 GKEB N#Cc1ccc(CSc2nnc(SCc3ccc(Cl)cc3)s2)cc1 3281245 YZTRHABYSHHYMJ-UHFFFAOYSA-N 389.958 5.648 30 40 GKEB CCOc1cc(C#N)ccc1O[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1 6540758 ZKXNOZQTPTYWFW-KRWDZBQOSA-N 386.451 5.030 30 40 GKEB COc1ccc(/N=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1 8116491 UCCUONUOFQUESK-ZMOGYAJESA-N 386.278 6.332 30 40 GKEB CCCCCCCCCCOc1ccc(NC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 8403862 DCQFZWMUONTKFL-WOJBJXKFSA-N 390.568 5.847 30 40 GKEB CC(C)c1ccc([C@@H](NC(=O)COc2ccc(C#N)cc2)c2cccs2)cc1 9982899 RMZMWQVTPISLSZ-HSZRJFAPSA-N 390.508 5.028 30 40 GKEB Cc1ccc(/N=C(\O)Nc2c(NC3CCCC3)c3ccccc3oc2=O)cc1F 28048871 SHTHMOCSFLXWAM-UHFFFAOYSA-N 395.434 5.253 30 40 GKEB C[C@H](Cc1cccs1)N(Cc1ccccc1)C(=O)/C=C/c1ccc(C#N)cc1 32988552 CXEQMDZOGOLCQS-JKIKYLSZSA-N 386.520 5.293 30 40 GKEB CCn1ncc(/C=C2\C[C@@H]3[C@H]4CC[C@@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)c1C 96556998 HLNMGFKCMXUKSU-VIDNYMPJSA-N 394.603 6.207 30 40 GKEB O=C1/C(=C\c2ccc(OC(F)F)cc2)[C@@H](c2ccccc2)Oc2ccccc21 97993099 QUIMJEXSOJCBLC-PGPKDTDWSA-N 378.374 5.688 30 40 GKEB COc1ccc(/C(=N/O)[C@H](c2ccc(OC)cc2)C(Cl)(Cl)Cl)cc1 104132295 VSRPXVYUPJAQCY-UFPHYQGISA-N 388.678 5.036 30 40 GKEB Clc1ccc(Sc2ccc(/C=N\Nc3nc4ccccc4s3)o2)cc1 137653898 DGAPPRLUJONEBV-JAIQZWGSSA-N 385.901 6.140 30 40 GKEB COc1cc(/C=N/c2ccc(C)cc2)ccc1OCc1cccc(C(=O)O)c1 408857400 UWEHGQFYGYSKEJ-ZVHZXABRSA-N 375.424 5.031 30 40 GKEB CCN1C(=O)/C(=C/c2ccsc2)S/C1=N/c1ccc(N2CCCCC2)cc1 408928559 CHJHLULUTJETMZ-GKVQKNEHSA-N 397.569 5.362 30 40 GKEB N#Cc1c(/N=C/c2ccc(Cl)cc2Cl)oc(-c2ccco2)c1-c1ccco1 408974694 GXBXKDJONUCMCS-BHGWPJFGSA-N 397.217 6.729 30 40 GKEB CCOc1ccc(-n2c(C)cc(/C=N/c3ccc(C(=O)O)c(Cl)c3)c2C)cc1 409187495 RDYHXTBJJSUWBJ-ZMOGYAJESA-N 396.874 5.595 30 40 GKEB Cc1ccc(S(=O)(=O)Oc2cccc(/C=N\c3ccc(C)c(Cl)c3)c2)cc1 409215452 ZBBHADFFTKJUCL-UCQKPKSFSA-N 399.899 5.475 30 40 GKEB Cc1c(/C=C2/Sc3ccccc3C2=O)c2ccccc2n1Cc1ccccc1 409303807 ONEDOXQLKWVVBX-BUVRLJJBSA-N 381.500 6.328 30 40 GKEB Cc1ccc2nc3sc(C(=O)Nc4sc(C)c(C)c4C#N)c(N)c3cc2c1 907307 NRDIRKIMNYXYNW-UHFFFAOYSA-N 392.509 5.142 30 40 GKEB N#Cc1c(NC(=O)c2ccc(Br)cc2)sc2c1CCCCCC2 2753009 ZWLBADQEWHFLQA-UHFFFAOYSA-N 389.318 5.294 30 40 GKEB CCn1c2ccccc2c2cc(/C=N/c3ccc(Nc4ccccc4)cc3)ccc21 3161944 FCFMAZMPHNLREB-TURZUDJPSA-N 389.502 7.309 30 40 GKEB C(=N/c1ccc(CCc2ccc(/N=C/c3ccncc3)cc2)cc1)\c1ccncc1 3245620 VVBDQTKTWSJFGK-CZYCKNNWSA-N 390.490 5.763 30 40 GKEB COc1ccc(/C=C(\C(=O)c2ccc(OC)cc2)c2nc3ccccc3o2)cc1 4038262 VLRNRDXNRYGGRY-HMMYKYKNSA-N 385.419 5.269 30 40 GKEB biogenic CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccco2)C3=O)cc1 5176832 JKVGAGGIGAIPPQ-BKUYFWCQSA-N 388.419 5.413 30 40 GKEB C/C(=N\Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(C2CCCCC2)cc1 5494710 JLJGKBRHCZNTIC-VULFUBBASA-N 394.868 7.243 30 40 GKEB O=C(/C=C\c1ccc(Br)cc1)c1ccccc1OCc1ccccc1 33376647 VCACIBSDCCBXGX-QINSGFPZSA-N 393.280 5.924 30 40 GKEB O=C1/C(=C\c2cccc(Cl)c2Cl)[C@@H](c2ccccc2)Oc2ccccc21 96766955 PDGHIISZXMSUPZ-BRBKRDGESA-N 381.258 6.393 30 40 GKEB CCCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)cc1C#N 225678854 ZECIIQILLXIROQ-UHFFFAOYSA-N 376.500 5.496 30 40 GKEB CCOc1cc(COc2ccc(/C=N\O)cc2)ccc1OCc1ccccc1 408540541 TUGVBXJIGZPISV-IWIPYMOSSA-N 377.440 5.051 30 40 GKEB Cc1ccc(-c2cc(/N=C/c3ccc(C(C)C)cc3)n(-c3ccccc3)n2)cc1 408736890 BNTPIXGVBIQPIL-OVVQPSECSA-N 379.507 6.722 30 40 GKEB Cc1ccc(N=C2NC(=O)/C(=C/c3c(C)n(C)c4ccccc34)S2)cc1Cl 408811367 LGXWYPAFLZGJFZ-ODLFYWEKSA-N 395.915 5.340 30 40 GKEB O=C(/C=C/Nc1ccc(I)cc1)c1cccc2ccccc12 409180805 RTNWGJPXTSJBAG-OUKQBFOZSA-N 399.231 5.253 30 40 GKEB O=C1ON=C(c2ccccc2)/C1=C\c1ccc(OCc2ccccc2Cl)cc1 1830615 GKGINVAHHXYGRE-XSFVSMFZSA-N 389.838 5.264 30 40 GKEB N#Cc1c(NC(=S)Nc2sc3c(c2C#N)CCCC3)sc2c1CCCC2 2298512 BNCJWQDPRAHKKQ-UHFFFAOYSA-N 398.582 5.119 30 40 GKEB C=CCn1c(SCc2cccc(Cl)c2)nnc1-c1cccc(Cl)c1 2444780 WBRDSXSVRPZSKK-UHFFFAOYSA-N 376.312 5.730 30 40 GKEB Cc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2ccccc2)cc1 2453409 SJDWFEAEQUSQKV-UHFFFAOYSA-N 382.492 5.407 30 40 GKEB O=C1/C(=C/c2cccc(OCc3cccc4ccccc34)c2)Sc2ccccc21 3666948 WMVIEVHEHJFRTE-XYGWBWBKSA-N 394.495 6.748 30 40 GKEB N#C[C@H](c1ccc(F)cc1)c1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1 4052441 RBXVTVGCTDVUME-GFCCVEGCSA-N 399.269 5.462 30 40 GKEB C/C(=N\Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc(C)o1 4677301 UIWFJTBMJAATAE-YBFXNURJSA-N 376.279 5.310 30 40 GKEB CC(C)C(=O)Nc1cccc(/N=C/c2cc(Br)cc(Cl)c2O)c1 5841316 BWXQJGKGEKJGDR-AWQFTUOYSA-N 395.684 5.153 30 40 GKEB O=C(NCC#Cc1ccccc1)c1ccccc1-c1ccc(C(F)(F)F)cc1 32899020 ASXISZHAAHYTFC-UHFFFAOYSA-N 379.381 5.154 30 40 GKEB C=CCSc1ncc(-c2ccccc2)n1-c1ccc(OC(F)(F)F)cc1 44087898 IOHOOLMPDCHQSM-UHFFFAOYSA-N 376.403 5.716 30 40 GKEB N#Cc1c(-c2ccccc2Cl)noc1/C=C/Nc1cc(Cl)cc(Cl)c1 100394988 YZAKGFQAPDMGRC-AATRIKPKSA-N 390.657 6.256 30 40 GKEB CCOc1ccc(/N=C2\S[C@@H](CC)C(=O)N2c2ccc(OCC)cc2)cc1 101025086 DPBABSUZZDFROO-XQDODVJUSA-N 384.501 5.030 30 40 GKEB CSc1ccccc1/N=C/c1c(C)nn(-c2cccc(Cl)c2)c1Cl 102923390 XFGKNUZQZKOCRD-SRZZPIQSSA-N 376.312 5.960 30 40 GKEB Cc1ccc(-c2n[nH]c(=S)n2N=Cc2cccc(Oc3ccccc3)c2)cc1 254441078 LXHLHDRDHCMVKM-UHFFFAOYSA-N 386.480 5.591 30 40 GKEB CCCCCCCc1nnc(SCC(=O)Nc2cccc(Cl)c2C)n1C 408561218 ZHPNGDWTVGFGSI-UHFFFAOYSA-N 394.972 5.021 30 40 GKEB CCOc1ccc(/C=N/c2ccccc2C(C)C)cc1I 408904462 JVMNFQAEHWJWND-UDWIEESQSA-N 393.268 5.564 30 40 GKEB CCOc1ccc(-n2c(C)cc(/C=N/c3cccc(C(=O)O)c3C)c2C)cc1 409186402 BQFSGSTYWDCDLO-ZVHZXABRSA-N 376.456 5.250 30 40 GKEB CCN1C(=O)/C(=C\c2cccc(C(F)(F)F)c2)S/C1=N/c1ccc(F)cc1 409227098 OTBAUGSIFBHKLH-CULIXBNTSA-N 394.393 5.468 30 40 GKEB N#C[C@]1(Cc2ccccc2Cl)c2ccccc2C=CN1C(=O)c1ccccc1 629042 XAOLJOPFKCXITG-XMMPIXPASA-N 384.866 5.428 30 40 GKEB aggregator Brc1cccc(/C=N/c2ccc3nc(-c4ccccc4)[nH]c3c2)c1 1233373 PTFYBQQJDOJRDL-LPYMAVHISA-N 376.257 5.743 30 40 GKEB CCc1ccc(N/N=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1 4135159 PHHHTPBGZATGFZ-SZXQPVLSSA-N 382.492 5.865 30 40 GKEB O=C1C2=C(c3ccccc31)c1c(ccc3ccccc13)N[C@H]2c1ccc(Cl)cc1 4713463 SMRMDUMFVBYKAK-VWLOTQADSA-N 393.873 6.658 30 40 GKEB O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc3oc(-c4ccccc4Cl)nc3c2)c1 4811498 FXIMMFDXRMXALQ-SSDVNMTOSA-N 393.786 5.513 30 40 GKEB C=CCOc1ccc([N+](=O)[O-])cc1N=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1 4832616 KSDLJUDYUSXLHO-UHFFFAOYSA-N 396.487 5.760 30 40 GKEB Clc1ccc(Sc2ccccc2/C=N/Nc2nc3ccccc3s2)cc1 5201118 ZLPDCGJUOIWMIB-LPYMAVHISA-N 395.940 6.547 30 40 GKEB CCOc1c(Br)cc(Br)cc1/C=N/c1ccc(C)cc1 5335958 BRCSYEWBOWTAFA-VXLYETTFSA-N 397.110 5.669 30 40 GKEB Cc1ccc(NC(=O)CSc2nc3ccc(C(C)C)cc3cc2C#N)cc1 35311878 OZVMFGCYOFXJSC-UHFFFAOYSA-N 375.497 5.269 30 40 GKEB O=C1/C(=N\Nc2ccc(Cl)cc2Cl)c2ccccc2N1c1ccccc1 100322647 FPTCDKXYQLWIGU-CLCOLTQESA-N 382.250 5.488 30 40 GKEB Cc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(C)n1-c1cccc2ccccc12 408594093 SCTDMUJMQCYUEZ-MFKUBSTISA-N 399.450 5.706 30 40 GKEB COc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCc1ccc(C(=O)O)cc1 408968291 XYPJKLWJXRFMRX-AFUMVMLFSA-N 389.451 5.340 30 40 GKEB C=CCOc1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1OCC 409114352 JGSPLNLOFSCDCA-UHFFFAOYSA-N 375.468 6.055 30 40 GKEB N#Cc1ccc(-c2ccc(Cl)cc2)nc1SCCC(=O)c1ccccc1 1554502512 GRSNYWZREAVXNH-UHFFFAOYSA-N 378.884 5.639 30 40 GKEB Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(C)c2)cc1 1077619 KKUYRVOWKGLJEO-IDISGSTGSA-N 394.518 6.283 30 40 GKEB COc1ccccc1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2c1ccc1ncccc21 1078375 DPUPJRVOBXOWPH-QFIPXVFZSA-N 384.479 5.444 30 40 GKEB COC(=O)c1ccc(/C=N/c2ccc(-c3nc4cc(C)cc(C)c4o3)cc2)cc1 3032322 KIJNHCAXWBVVRZ-AFUMVMLFSA-N 384.435 5.649 30 40 GKEB O=C1C2=C(Nc3ccccc3S[C@H]2c2ccc3ccccc3c2)c2ccccc21 4748855 NAMAJGAIOPGDSW-SANMLTNESA-N 391.495 6.706 30 40 GKEB CCCCCCOc1ccc(/C=C/C(=O)Sc2ccc([N+](=O)[O-])cc2)cc1 5418207 CKPFDEWEXQUCJK-OVCLIPMQSA-N 385.485 5.886 30 40 GKEB CCOc1cccc(/C=N/c2cc(-c3nc4ccccc4s3)ccc2C)c1O 5475938 MQEFEDIWUMOZKU-ZVHZXABRSA-N 388.492 6.127 30 40 GKEB C/C=C/Oc1ccc(C(=O)/C(=C/c2ccc(C)cc2)c2nc3ccccc3o2)cc1 5544600 ANJVKMCXPATZIP-KNLQTVQXSA-N 395.458 6.472 30 40 GKEB COc1cccc(/C=N/c2ccc(Cl)c(-c3nc4ccccc4s3)c2)c1O 8210695 ZZESTWIFWFGOSG-FSJBWODESA-N 394.883 6.082 30 40 GKEB Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2cccc3ccccc23)cc1 8371833 JRLBQMUGRGETSO-JVWAILMASA-N 385.894 7.131 30 40 GKEB CCCCOc1ccc(C(=O)/C=C/Nc2cccc(CN3CCCC3)c2)cc1 44842983 JRTNVFNCWZKPEV-BUHFOSPRSA-N 378.516 5.270 30 40 GKEB C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]1C/C(=C\c1cccc(F)c1)C2=O 118916176 XTIQNVKIJGLRLG-GYIWABLXSA-N 380.547 6.821 30 40 GKEB CCc1ccc(-c2cc(C(F)(F)F)nc(N/N=C/c3ccc(F)s3)n2)cc1 252502663 USPKCFMZMNQIKB-AUEPDCJTSA-N 394.397 5.371 30 40 GKEB Cc1cc(/C=N\OCc2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(Cl)cc1 408594981 VETYKYVSLIFCFY-UUYOSTAYSA-N 383.835 5.206 30 40 GKEB N#Cc1cc([N+](=O)[O-])cc2c1N[C@@H](c1c(Cl)cccc1Cl)[C@H]1CC=C[C@@H]21 408756284 PQYHGLJOLYRWPG-QHRIQVFBSA-N 386.238 5.600 30 40 GKEB Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(OC(C)C)cc2)S1 408846333 ISSAUTJNJFRSNT-ZDLGFXPLSA-N 386.904 5.327 30 40 GKEB CCn1cc(/C=C2/C[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]3(C)C2=O)c(C)n1 2787219 VFYSTCQWVDOPQD-ARZNRDFFSA-N 390.527 5.036 30 40 GKEB C/C(=N\OCc1c(Cl)cccc1Cl)[C@H]1C[C@H]1c1ccc(C(C)C)cc1 4084882 AWHIOBRWISNHCM-VOCRRTPCSA-N 376.327 6.813 30 40 GKEB Cc1nc(-c2cccnc2)sc1C(=O)/C=C\c1ccc(Cl)cc1Cl 5808948 ZIEQDCXJDPTYMX-ALCCZGGFSA-N 375.280 5.716 30 40 GKEB C=CCOc1c(Cl)cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1OC 8111046 HLIKOHLBGCARQP-PCLIKHOPSA-N 393.870 6.456 30 40 GKEB CC(=O)Nc1sc(N/N=C/c2ccc(C(C)C)cc2)nc1-c1cccs1 8739321 PDBFIYVAZOJZMI-RGVLZGJSSA-N 384.530 5.399 30 40 GKEB Cc1ccc(-c2ccc(/C=N/NCc3c(Cl)cccc3Cl)o2)cc1Cl 9195696 HDXCKOHBMSHHOC-AUEPDCJTSA-N 393.701 6.339 30 40 GKEB C=CCN(C(=O)[C@H]1Cc2ccccc2S1)c1nc(-c2ccccc2)cs1 14055281 PDPSIEGIRUGHMK-LJQANCHMSA-N 378.522 5.046 30 40 GKEB CC1(C)CC(=O)C(C(C2=C(O)CC(C)(C)CC2=O)c2cccc(F)c2)=C(O)C1 18028809 GTBOSTQVIUMOFV-UHFFFAOYSA-N 386.463 5.312 30 40 GKEB Cc1ccc(-c2nc(/N=C/c3ccccc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 59463680 IOVPVVORORHKHX-BUVRLJJBSA-N 399.475 6.444 30 40 GKEB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)c(C#N)c1 225761631 BXFSFNGYKUAZHG-KRWDZBQOSA-N 394.490 5.715 30 40 GKEB COc1ccccc1/N=C/c1cc(C)n(-c2ccc(Br)cc2)c1C 408739064 SJPFEBCVRGHDHD-LPYMAVHISA-N 383.289 5.616 30 40 GKEB Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=N/c2ccccc2C)cc1 409213519 UFAZDMMPUZQWDE-OEAKJJBVSA-N 399.899 5.475 30 40 GKEB CC(=O)c1ccc(/N=C/c2ccc(-c3ccc(C)cc3Br)o2)cc1 409224553 IGUYAELRUVPPTI-WSDLNYQXSA-N 382.257 5.971 30 40 GKEB CCOC(=O)c1c(/N=C/c2ccc3ccccc3c2O)sc2c1CCCC2 727317 HDZXZNQBMRSFAP-YDZHTSKRSA-N 379.481 5.413 30 40 GKEB CCn1cc([C@@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)[N+](=O)[O-])c2ccccc21 1306852 WKAMWHBBSVNVKS-RPWUZVMVSA-N 398.462 5.321 30 40 GKEB N#Cc1c(NC(=O)c2c(Cl)cccc2Cl)sc2c1CCCCCC2 2097836 QYUMVGHAPGRKOI-UHFFFAOYSA-N 379.312 5.838 30 40 GKEB CCCCCCCOc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 3022799 HMWZYRXXCLYSMS-UHFFFAOYSA-N 381.432 5.661 30 40 GKEB CCOc1ccc(N/N=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1 4135160 DBJIWGAVCFOFQT-SZXQPVLSSA-N 398.491 5.702 30 40 GKEB C=CCOc1c(Br)cc(CNC(C)(C)CC(C)(C)C)cc1OC 6857340 ZXIIXCYKKQWAPR-UHFFFAOYSA-N 384.358 5.327 30 40 GKEB C=CCn1c(SCc2ccc(Br)cc2)nnc1-c1ccccc1 14067657 WNHQIVNHFNMVSR-UHFFFAOYSA-N 386.318 5.186 30 40 GKEB Clc1ccc(N2CCN(/N=C\c3c4ccccc4cc4ccccc34)CC2)cc1 28349820 AXNCNOYVDRYBPE-IMRQLAEWSA-N 399.925 5.803 30 40 GKEB Oc1c(/C=N/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc2ccccc12 32101615 BRGARIVRCKWJIS-NSKAYECMSA-N 383.291 6.334 30 40 GKEB CCC[C@@H]1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2ccccc2C)C1=O 51366908 OHQOLFYVGAZDOH-MQBMHJJESA-N 399.947 5.283 30 40 GKEB CCOc1cc(COc2ccccc2/C=N\O)ccc1OCc1ccccc1 109731229 WVJKLHHBZROOSD-IWIPYMOSSA-N 377.440 5.051 30 40 GKEB C=C(C)COc1cccc(C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 219792131 JSUSWCYWJLRVLG-WOJBJXKFSA-N 392.543 5.369 30 40 GKEB C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccncc2)S/C1=N\c1ccccc1 408908278 RCUZEAWTBPCDQQ-CHKQLSMDSA-N 385.492 5.447 30 40 GKEB O=[N+]([O-])c1cccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)c1 408936549 KZSAZSDLQFIKDX-SASJVVMLSA-N 395.462 6.172 30 40 GKEB COc1ccc2c(c1)Cc1sc(/N=C\c3ccc(Cl)c([N+](=O)[O-])c3)nc1-2 409045432 GSPDWMZUPUELEE-UKWGHVSLSA-N 385.832 5.035 30 40 GKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2c(F)cccc2Cl)S1 409239691 DENAHSJZVAEJRT-OVCLIPMQSA-N 381.259 5.333 30 40 GKEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C)cc1 2795937 TZXXNLOXQXDXPM-QFIPXVFZSA-N 395.543 5.332 30 40 GKEB CC(=O)O/N=C(\C)CC/C=C(\C)CC[C@@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@@]12C 4026946 NQRNQFVQINDGPA-DXOAFLICSA-N 387.608 7.231 30 40 GKEB biogenic C=C1CC[C@@H](O)C/C1=C\C=C1/CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)C 4492876 QYSXJUFSXHHAJI-RWLOMQAJSA-N 384.648 7.619 30 40 GKEB COc1ccc(NC(=O)c2c(/N=C/c3cccs3)sc3c2CCC3)cc1 4723886 TXJGNNXGPVXRRM-CIAFOILYSA-N 382.510 5.310 30 40 GKEB COc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCc1cccc(F)c1 8367876 FJKASRHFIHGTQJ-LGJNPRDNSA-N 397.877 6.434 30 40 GKEB Cc1ccc(C)c(/N=C/c2cc(Cl)ccc2OCc2ccccc2Cl)c1 8367992 ZGVLMEJICWDHPD-DHRITJCHSA-N 384.306 6.940 30 40 GKEB O=C(/C(=N/N=C/c1c(O)ccc2ccccc12)c1ccccc1)c1ccccc1 12586205 HDARXOBQELQFES-DOQHAGSGSA-N 378.431 5.252 30 40 GKEB COc1ccc(/C=C2\S/C(=N/c3cc(Cl)ccc3C)NC2=O)cc1Cl 18255042 NJWCZZDKNXLHSL-PXNMLYILSA-N 393.295 5.202 30 40 GKEB O=c1oc2ccccc2c(NC2CCCCC2)c1/N=C(\O)c1ccccc1Cl 21155956 WKVRBTRXFNVNBO-UHFFFAOYSA-N 396.874 5.827 30 40 GKEB CCCC(C)(C)[C@H]1CC/C(=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](C)C1 32025462 ZFJMCICFPLOLLQ-NKTUNZBZSA-N 376.457 5.533 30 40 GKEB Cc1ccc(-c2nc(/N=C/c3ccc(Cl)cc3)sc2-c2ccccc2)cc1 59463806 SATLBIGJNQNPHZ-MFKUBSTISA-N 388.923 7.190 30 40 GKEB CC1(C)C[C@](C)(c2ccccc2)c2cccc3c2N1C(=O)/C3=N/c1ccc(F)cc1 100117603 VGXKBFMACSIFSA-BMNAXSRBSA-N 398.481 5.781 30 40 GKEB COc1ccc(Br)c(C=Nc2ccc(Cl)c(Cl)c2)c1O 257345420 WAFKVCFFZNYXAQ-UHFFFAOYSA-N 375.049 5.221 30 40 GKEB CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2ccccc2)N(CC)C1=O 409095659 HZTFBTQZICSZNG-FNUYTPMSSA-N 386.904 5.363 30 40 GKEB O=[N+]([O-])c1ccc(Cl)c(/C=N/c2ccc(Oc3ccccc3Cl)cc2)c1 409097143 LPBYYSGGYFYVME-WSDLNYQXSA-N 387.222 6.445 30 40 GKEB N#Cc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1 409338435 JUWSNKNFTUSGCH-CHHVJCJISA-N 391.304 5.271 30 40 GKEB S/C(=N\N=C\c1ccc(OCc2ccccc2Cl)cc1)Nc1ccccc1 1969701 DQEXNQZSBKWERS-OEAKJJBVSA-N 395.915 5.651 30 40 GKEB CCOc1nc(-c2ccccc2)cc(-c2ccc(Br)cc2)c1C#N 2057835 QVQCKEDAHAQTSU-UHFFFAOYSA-N 379.257 5.448 30 40 GKEB Cc1cc(/C=N/c2ccc(Cl)c(C(=O)O)c2)c(C)n1-c1ccc(Cl)cc1 2262434 OFLXGKLKMSMHDX-FOKLQQMPSA-N 387.266 5.850 30 40 GKEB COc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccco1 4973578 FEUJNMKRKRKATF-OYLFLEFRSA-N 386.451 5.268 30 40 GKEB Cn1c(N/N=C/c2ccc(OCc3ccccc3Cl)cc2)nc2ccccc21 7343321 OAEZIOUSEARXCQ-ZVHZXABRSA-N 390.874 5.252 30 40 GKEB Cc1cc(C)c(C(=O)/C=C/c2ccccc2)c(C)c1C(=O)/C=C/c1ccccc1 17380160 BQIHMHIITNOAKH-YXLFCKQPSA-N 380.487 6.404 30 40 GKEB Cc1ccc2oc(-c3ccc(C)c(/N=C/c4cc(Cl)ccc4O)c3)nc2c1 100503078 OAMFHAAAHPANMS-WYMPLXKRSA-N 376.843 6.221 30 40 GKEB COc1cc(C)c(/C=C2\S/C(=N\c3ccc(C)cc3)N(C)C2=O)cc1C(C)C 213170045 SLOHUXAPRQBDJG-OVJCGYIESA-N 394.540 5.669 30 40 GKEB CC(C)NC(=S)N/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1 3222283 MGALNLHHQZWXBR-JJIBRWJFSA-N 388.540 5.363 30 40 GKEB Clc1ccccc1/C=N/Nc1nc(-c2ccccc2Cl)nc2ccccc12 4803397 DQVRWJJRRJFUSA-ZMOGYAJESA-N 393.277 6.050 30 40 GKEB CCCCCCCCCCCCCCCc1ccc(OC[C@@H](O)CO)cc1 73333671 DVARIDCYJRKBHF-QHCPKHFHSA-N 378.597 6.052 30 40 GKEB CCSc1nc2ccc(/N=C/c3ccc(N(C)C)c([N+](=O)[O-])c3)cc2s1 100250837 LMSQTDROUBXQPK-YBFXNURJSA-N 386.502 5.133 30 40 GKEB CCN1C(=O)/C(=C/c2cccc(OC)c2OC(C)C)SC1=Nc1ccccc1 409013680 NGPIZHDUYBVMDB-NPPZMEKISA-N 396.512 5.106 30 40 GKEB C[C@@H]1OC1(c1ccc(OC(F)(F)F)cc1)c1ccc(OC(F)(F)F)cc1 1083810965 FAMDUVMZLWIKME-JTQLQIEISA-N 378.268 5.146 30 40 GKEB Cc1cc(O)c(/C=N/c2ccc(-c3nc4ccccc4s3)cc2)c(C)c1Cl 3084966 CCUSRZNLVQZMFT-WYMPLXKRSA-N 392.911 6.690 30 40 GKEB CC(/C=C/c1ccccc1)=N\Nc1nc(-c2ccc(Cl)cc2Cl)cs1 4676645 QARLHZOBZXXGCM-MOTGWWFASA-N 388.323 6.618 30 40 GKEB C/C(=N\Nc1nc(-c2ccccc2)c2cc(Br)ccc2n1)C(C)(C)C 4719270 PJJJEFBMDQKHCJ-ZMOGYAJESA-N 397.320 5.893 30 40 GKEB FC(F)(F)c1cnc(N/N=C/c2ccc(-c3ccccc3)cc2)c(Cl)c1 5866290 CDHTZFVZCJBEFV-OPEKNORGSA-N 375.781 5.867 30 40 GKEB CCCOc1c(Br)cc(/C=N/c2ccc(C)c(C)c2)cc1OC 6880612 BYSRDXIBLUPEHA-CIAFOILYSA-N 376.294 5.614 30 40 GKEB FC(F)(F)C1(C(F)(F)F)[C@@H]2C[C@H]1CC[C@@]21CC(F)(F)C(F)(F)S1 73417455 UHMGZMSZRULRFR-FSDSQADBSA-N 376.259 5.631 30 40 GKEB C=CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N\c1ccccc1 100505578 AJBZDOKJFKISBM-QHQVFXOCSA-N 393.537 5.237 30 40 GKEB COc1cccc2c(/C=N\c3cccc4ccccc34)c(-c3ccccc3)[nH]c12 408830500 SBSBRKORKSXYSF-PKAZHMFMSA-N 376.459 6.747 30 40 GKEB COc1ccc(/N=C/c2cc(Br)c(N3CCCC3)o2)cc1Cl 408850877 FFRJSLJUKFGAAW-VXLYETTFSA-N 383.673 5.055 30 40 GKEB Brc1ccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)o1 408915799 YZNMBFIUJVMHHU-YDZHTSKRSA-N 384.317 6.261 30 40 GKEB Fc1cccc(COc2ccc(/C=N/Nc3ccc(C(F)(F)F)cn3)cc2)c1 409068116 SSPJOBUPIHIEGF-KBKYJPHKSA-N 389.352 5.265 30 40 GKEB Oc1c(Cl)cc(Br)cc1/C=N/c1cccc(Cl)c1Cl 1435307 CEUASCJVNXXRSI-NGYBGAFCSA-N 379.468 5.866 30 40 GKEB CCCCCCCCCCCNc1ncnc2scc(-c3cccs3)c12 2423554 HRUQCXQVQAEUIS-UHFFFAOYSA-N 387.618 7.363 30 40 GKEB CC1=CC[C@@H]2C(C)(C)/C(=N\O)CC[C@]2(C)[C@H]1COc1ccc2ccc(=O)oc2c1 4025760 QYLWHDVJPCDLGF-ZXEAHFKMSA-N 395.499 5.411 30 40 GKEB biogenic CCCCc1ccnc(N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n1 4671201 DOMKIIZTRBHOKX-MFKUBSTISA-N 382.552 5.566 30 40 GKEB O=C1/C(=C/c2ccc(Br)cc2)[C@@H](c2ccccc2)Oc2ccccc21 12339530 BOYUWRVHTCLLJC-PZNLSKEWSA-N 391.264 5.849 30 40 GKEB CC1=C(C(=O)c2ccccc2)[C@H](c2ccc(Cl)cc2)n2c(nc3ccccc32)N1 20512735 PTWCLLFWLYIZJT-QFIPXVFZSA-N 399.881 5.862 30 40 GKEB C/C(=N\c1cccc(Cl)c1)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 100643581 WYXPIPKQFMFWOA-MFKUBSTISA-N 388.854 5.490 30 40 GKEB CC[C@H]1CCc2c(sc(NC(=O)c3cccc(Br)c3)c2C#N)C1 994627 YNXWIJIRLHJRJF-NSHDSACASA-N 389.318 5.149 30 40 GKEB N#C[C@H](C(=O)CSc1cc(Cl)ccc1Cl)c1nc2ccccc2s1 2633090 LKCFHBMOPKBYNO-LLVKDONJSA-N 393.320 5.572 30 40 GKEB N#C[C@@H](C(=O)c1ccc2ccccc2c1)c1nc2ccc(C(F)(F)F)cc2s1 3268668 QLBJPCVLNUAUMN-INIZCTEOSA-N 396.393 5.958 30 40 GKEB C[C@H]1[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@H](C)C1(O)C#Cc1ccccc1 4133145 JVERHSPATOGMGT-CYTDPQRLSA-N 381.519 5.127 30 40 GKEB O=C(/C=C/c1cccc(Cl)c1Cl)c1ccc(NC2=NCCCS2)cc1 6366528 LQOJSQJZRLZTEK-JXMROGBWSA-N 391.323 5.794 30 40 GKEB Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccccc3)n2)cc1 6627505 AYAUIALJNVIISD-UHFFFAOYSA-N 384.426 6.240 30 40 GKEB CCOc1cc(/C=N/c2cc(Cl)ccc2C)cc(Br)c1OCC 6959574 RHHRSPOGMBMJIZ-SRZZPIQSSA-N 396.712 5.959 30 40 GKEB O/C(=N\c1nnc(COc2ccc(C3CCCCC3)cc2)s1)C(F)(F)F 17208879 QDRMTATYXSDTAS-UHFFFAOYSA-N 385.411 5.315 30 40 GKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(Cl)cc2Cl)C(=O)N1C 38361086 QQGVPMJRLQXRNV-PDHVABIUSA-N 391.323 5.790 30 40 GKEB CCCCCCCn1c(O)c(C(=O)Nc2ccc(F)cc2)c(=O)c2ccccc21 102488672 OQEHSISNXHFWDF-UHFFFAOYSA-N 396.462 5.069 30 40 GKEB Cc1ccc(C(C)C)cc1COc1nn(Cc2ccc(Cl)cc2)c(N)c1C#N 225840622 PMHCGLQCKDLJCK-UHFFFAOYSA-N 394.906 5.050 30 40 GKEB Cc1cc(/C=N\c2ccc(C(C)(C)C)cc2)c(C)n1-c1ccc2ncccc2c1 408967837 VFGFXFJJWYEQGE-QRQIAZFYSA-N 381.523 6.690 30 40 GKEB CC[C@@H](C)Oc1ccc(/C=N/c2ccc(C(=O)OC)c(Cl)c2)cc1Cl 409013540 BDVYRZSPHXQNTQ-VTGBELTLSA-N 380.271 5.708 30 40 GKEB O=C1ON=C(c2ccccc2)/C1=C/c1ccc(OCc2cccc(Cl)c2)cc1 409091347 PPICBJJFYWUPDK-STZFKDTASA-N 389.838 5.264 30 40 GKEB C=CCOc1c(Br)cc(CNc2ccc(CC)cc2)cc1OCC 409117946 RTFNEIADPQSNNO-UHFFFAOYSA-N 390.321 5.587 30 40 GKEB Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)cc1C 409210009 IZQKJXKBXXBHRW-DHRITJCHSA-N 384.306 6.940 30 40 GKEB Cc1c(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)c2ccccc2n1C 409281865 NGLVJNHGAQVEMN-UHFFFAOYSA-N 398.510 5.127 30 40 GKEB O=[N+]([O-])c1ccc(/C=N/c2ccc3oc(-c4ccc(F)cc4Cl)nc3c2)cc1 1435192 CJDMIHDHXIIYQY-FOKLQQMPSA-N 395.777 5.946 30 40 GKEB CCOc1cccc([C@H]2Sc3ccccc3NC3=C2C(=O)c2ccccc23)c1 2441890 OWYMXDCKUTYSIN-XMMPIXPASA-N 385.488 5.952 30 40 GKEB Fc1cccc(-c2nc3cc(/N=C/c4ccc(Cl)c(Cl)c4)ccc3o2)c1 3113853 BLDROQHEKDWZJE-BHGWPJFGSA-N 385.225 6.691 30 40 GKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3cc4ccccc4s3)c2C#N)C1 3669130 WTWXXGGPERGDMH-GMJSKMFWSA-N 378.566 6.736 30 40 GKEB COc1ccc(-c2csc(N/N=C(\C)c3ccc(C(C)(C)C)cc3)n2)cc1 5008131 JELDYIGRPUYGQM-BUVRLJJBSA-N 379.529 5.952 30 40 GKEB CCc1c(C)c(C#N)c2nc3ccccc3n2c1N/N=C/c1ccc(C(C)C)cc1 5461725 ZROQNYFBDUBNSO-JFLMPSFJSA-N 395.510 5.799 30 40 GKEB C/C(=N/N=C(/C)c1cccc(Br)c1)c1cccc(Br)c1 5502950 VRWSAXLOCVJMGX-YZLQMOBTSA-N 394.110 5.445 30 40 GKEB CCOc1ccc(/C=C2\S/C(=N\c3cccc(Cl)c3Cl)NC2=O)cc1 5551695 QPYRDBNIQVLCAQ-GDNBJRDFSA-N 393.295 5.284 30 40 GKEB C#CCOc1c(Cl)cc(CNc2ccc(Cl)c(Cl)c2)cc1Cl 6295354 OVWNBKYVEUCAIS-UHFFFAOYSA-N 375.082 5.924 30 40 GKEB CSc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)cc1 6820411 KGFOCYOQBRGEIA-RHSMWYFYSA-N 397.927 5.066 30 40 GKEB COc1ccc(C(=O)/C(=C/c2ccc(N(C)C)cc2)c2nc3ccccc3[nH]2)cc1 32699233 ZTPSQKORCKKBIY-PGMHBOJBSA-N 397.478 5.061 30 40 GKEB N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cc3ccccc3o2)cc1 40146405 UXEQXKOBJVNXHD-UHFFFAOYSA-N 384.410 5.286 30 40 GKEB O=C(Nc1ccccc1)c1c(/N=C/C=C/c2ccccc2)sc2c1CCCC2 59676480 GZPWXRFZOTXBIT-UKQHYDMASA-N 386.520 6.295 30 40 GKEB CCCCCCCc1nnc(NC(=O)c2ccc(Br)cc2)s1 100542685 FIXKKKUMPBXCBZ-UHFFFAOYSA-N 382.327 5.066 30 40 GKEB C=CCSc1ccccc1C(=O)NCCSCc1ccccc1Cl 219799334 OLHBMHREWIUALA-UHFFFAOYSA-N 377.962 5.281 30 40 GKEB CCCOc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 408629067 KWVWGNSNURBNTK-INIZCTEOSA-N 396.556 5.812 30 40 GKEB O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1ccc2c3c(cccc13)CC2 408761850 LZUPDORKFIYBEA-UNOMPAQXSA-N 390.895 5.483 30 40 GKEB Cc1cc(/C=N/c2ccc(F)c(Cl)c2)c(C)n1-c1ccc2ncccc2c1 408968467 ZBWMRBVUNWTJIW-LGJNPRDNSA-N 377.850 6.185 30 40 GKEB Cc1ccc(-c2ccc(/C=N\c3ccc4ccccc4c3)o2)c(Br)c1 409232861 BXFWBVXTAYALPK-OYKKKHCWSA-N 390.280 6.921 30 40 GKEB CN(C)c1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)cc1 868870 UOHZQPAWOBIXPT-NRFANRHFSA-N 392.543 5.566 30 40 GKEB Cc1cccn2c(/C=N/OC(=O)c3cccs3)c(-c3ccc(Cl)cc3)nc12 1402730 OLGCZCAQTPBRIY-WSDLNYQXSA-N 395.871 5.216 30 40 GKEB Cc1ccc2oc(-c3ccc(/N=C/c4cc5c(cc4Cl)OCO5)cc3)nc2c1 3202498 XSSVMSPIYGAGHW-BHGWPJFGSA-N 390.826 5.936 30 40 GKEB N#Cc1c(NC(=O)CCSc2ccc(Cl)cc2)sc2c1CCCC2 3322402 IEHSOBAPSFNVAL-UHFFFAOYSA-N 376.934 5.273 30 40 GKEB C/C(=N/c1oc(-c2ccccc2)c(-c2ccccc2)c1C#N)c1ccc(Cl)cc1 4147121 DYGRYSIFRUBVCR-QRQIAZFYSA-N 396.877 7.279 30 40 GKEB COc1cccc(NC(=S)N/N=C(\C)c2ccc(C3CCCCC3)cc2)c1 4871708 KZZZLRCGQBOQNC-LFVJCYFKSA-N 381.545 5.454 30 40 GKEB CCC(C)(C)[C@@H]1CCc2sc3ncnc(N/N=C\c4ccccn4)c3c2C1 4953886 GDKLXWFRLSVLEU-QTYGBZKPSA-N 379.533 5.073 30 40 GKEB CCOc1c(Br)cc(/C=C/C(=O)c2ccc(F)cc2F)cc1OC 5127616 KHYLYIOOGBWNLE-QPJJXVBHSA-N 397.215 5.031 30 40 GKEB COCc1ccccc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 41514063 VEFOQQUFSDKTMF-QGZVFWFLSA-N 382.872 5.100 30 40 GKEB Cc1nc(Cc2ccccc2)sc1C(=O)Nc1ccccc1SCCC#N 95953403 MHVCJBAZPVUUCR-UHFFFAOYSA-N 393.537 5.300 30 40 GKEB CCCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(F)cc1)C2 97939939 PRKDLVUJZNNHHT-KRWDZBQOSA-N 385.479 5.502 30 40 GKEB Cc1nn(C)cc1/C=N/N=C1/CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C 98087407 XKGJSFZJELCKIZ-CUJNMLPQSA-N 394.607 5.936 30 40 GKEB CCCCCCCC/C=C/CCCCCCCC(=O)OCC(CC)(CO)CO 111409973 WAZOXQOFCQKLFT-VAWYXSNFSA-N 398.628 5.948 30 40 GKEB CCc1ccc(-n2c(C)cc(/C=N/c3ccc(Cl)c([N+](=O)[O-])c3)c2C)cc1 408765449 WBFPFGGADMJEGZ-YDZHTSKRSA-N 381.863 5.969 30 40 GKEB CC[C@@H](C)c1ccc(/N=C/c2cccn2-c2ccc(Br)cc2)cc1 408859569 YGYDVHLNJKKMBW-LGVXEURYSA-N 381.317 6.504 30 40 GKEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)cc1 409119215 SCPSWCRTVYDVTJ-FYJGNVAPSA-N 383.860 5.845 30 40 GKEB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccc(-c2ccccc2)o1 1531385264 BXARHLHBWANNKH-YZSQISJMSA-N 391.430 5.206 30 40 GKEB COc1cccc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c1O 3666077 MCBIJAYNLHBHFQ-JVWAILMASA-N 394.430 5.950 30 40 GKEB CCOCCCNc1c(Cc2ccccc2)c(C)c(C#N)c2nc3ccccc3n12 4135820 RKZPZLWZNLWMEB-UHFFFAOYSA-N 398.510 5.097 30 40 GKEB Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccccc4Cl)o3)S2)cc1 5376563 HKQZFNSQKUYEES-XDHOZWIPSA-N 394.883 5.800 30 40 GKEB C=C1[C@@H]2CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]3(C2)[C@@H]1OC(=O)/C(C)=C/C 5494767 VONUYFLABDZCHJ-FAODQPIHSA-N 386.576 5.434 30 40 GKEB FC(F)(F)c1cnc(N/N=C(/c2ccccc2)c2ccccn2)c(Cl)c1 5850874 GOHOXNBIFQIMCA-XYGWBWBKSA-N 376.769 5.013 30 40 GKEB O/N=C(\CCCC/C(=N\O)c1cc(Cl)ccc1O)c1cc(Cl)ccc1O 6220032 IYBPXOHEYGODPJ-YHARCJFQSA-N 397.258 5.022 30 40 GKEB CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Br)c1OC 6338262 IKGNEBWXINAPPB-JXMROGBWSA-N 375.262 5.061 30 40 GKEB CCOc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(Cl)c1OCC 6959683 IEPJFRNHFSSNJF-PCLIKHOPSA-N 395.886 6.680 30 40 GKEB COc1ccc(/C=C\C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2)cc1 13406616 FXZNENPOJIKRBN-HMQSQOOHSA-N 384.431 5.210 30 40 GKEB CCOc1cc(C)c(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)cc1C(C)C 15012881 SUMSZSUVEGKVKW-UDWIEESQSA-N 398.503 5.548 30 40 GKEB O=[N+]([O-])c1cc(Cl)cc(/C=N/Nc2c(Cl)cc(Cl)cc2Cl)c1O 34106748 LJUNXGHYALCNFH-BLLMUTORSA-N 395.029 5.360 30 40 GKEB COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=C/c3ccc(F)cc3)C[C@@H]12 36614420 XDSUORUHJZFDRR-LDDHGXPRSA-N 390.498 5.953 30 40 GKEB CC(C)(C)N(CC#CCC1(O)c2ccccc2-c2ccccc21)Cc1ccccc1 57234779 UNBHKGYTWCLBLW-UHFFFAOYSA-N 395.546 5.597 30 40 GKEB COc1cc(C(=O)/C=C/C2=Cc3cc(Cl)ccc3OC2)ccc1OC(F)F 57996384 BUXJMIVUCKJDTM-GORDUTHDSA-N 392.785 5.165 30 40 GKEB CCCCCCCCCCOc1ccc(NC(=O)Nc2ccc(C)cc2)cc1 100284780 DGPAFASZKCKMJK-UHFFFAOYSA-N 382.548 7.159 30 40 GKEB CCCCCCCCCCCCN[C@H](c1ccccc1)[C@H](O)c1ccccc1 104347853 OXGAUKCISNQVTM-CLJLJLNGSA-N 381.604 6.972 30 40 GKEB CCCCCCCCOc1ccc(/C=C/c2ccc3cccc(O)c3n2)cc1 105386555 WBGKETKLWNVAKR-RVDMUPIBSA-N 375.512 6.850 30 40 GKEB Fc1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3)cc(C(F)F)n2)s1 252494896 OHOOYFUOWWAVBG-ODCIPOBUSA-N 382.798 5.381 30 40 GKEB Cc1cc(/C=N/c2ccc(N(C)C)cc2)c(C)n1-c1ccc(Br)cc1 408738926 QENRCMUYCNMHAP-OEAKJJBVSA-N 396.332 5.673 30 40 GKEB CC[C@H](C)Oc1c(Cl)cc(/C=N\c2ccc(C)c([N+](=O)[O-])c2)cc1OC 409377493 ITUBADQEBOESNL-GMDDEGIZSA-N 376.840 5.493 30 40 GKEB Cc1ccc(/N=C/c2c(O)c(Br)cc3oc4c(c23)CCCC4)c(C)c1 1249227 NXXJUDPUYACOSW-FOKLQQMPSA-N 398.300 6.147 30 40 GKEB Oc1cc(/N=C/c2ccc(Cl)c(Cl)c2)ccc1-c1nc2ccccc2s1 3113879 GKAYRJUTCMZNIO-FOKLQQMPSA-N 399.302 6.726 30 40 GKEB C/C(=N\Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(OC(F)F)cc1 6312588 VNLYTSMYORWCTG-NUGSKGIGSA-N 378.728 5.796 30 40 GKEB COc1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)cc1 8116431 LLORQAOIBITXGX-ZMOGYAJESA-N 386.278 6.332 30 40 GKEB Cn1cc(/C=C2/Oc3cc(OCc4ccccc4)ccc3C2=O)c2ccccc21 9422743 MLRLPRXNDGNPBZ-ZMOGYAJESA-N 381.431 5.374 30 40 GKEB Oc1ccc2ccccc2c1/C=N/c1cc(C(F)(F)F)ccc1N1CCCC1 13119047 LKJHMFSAGKKMNI-VULFUBBASA-N 384.401 5.915 30 40 GKEB Cc1ccc2nc(C)c(C(=O)/C=C/c3ccccc3C)c(-c3ccccc3)c2c1 58196721 JZISEZBAMZRGNQ-JQIJEIRASA-N 377.487 6.723 30 40 GKEB Clc1ccc(-n2cccc2/C=N/c2ccc(Br)c(Cl)c2)cc1 59249816 PBOMABWRBMBYMF-SRZZPIQSSA-N 394.099 6.297 30 40 GKEB CCc1nnc(-c2ccc(NC(=O)c3ccccc3-c3ccccc3C#N)cc2)o1 72304683 UVQCWWCOBNSJKA-UHFFFAOYSA-N 394.434 5.090 30 40 GKEB COc1cc(/C=N\c2ccc(/N=N\c3ccccc3)cc2)c(O)c([N+](=O)[O-])c1 104210998 GSGJOOYVUBHNGR-DVXJZOSISA-N 376.372 5.475 30 40 GKEB COc1cccc2c(/C=N/c3ccc4ccccc4c3)c(-c3ccccc3)[nH]c12 408842130 METSRNXRZDIVFU-WPWMEQJKSA-N 376.459 6.747 30 40 GKEB Cc1ccc(/N=C2\S/C(=C/c3ccccc3Cl)C(=O)N2CC(C)C)cc1 408916833 ZOMSFHAZRPDXJY-CRUFNBOHSA-N 384.932 5.908 30 40 GKEB CC(=O)CSc1nc2c(c(-c3cccs3)c1C#N)C[C@H](C(C)(C)C)CC2 663621 KPYTWUSAFCDGHG-CQSZACIVSA-N 384.570 5.514 30 40 GKEB CCOc1ccc2nc(S/C=C/C(=O)c3ccc(Cl)cc3)sc2c1 1036786 KOAFMHIBHLVYMV-MDZDMXLPSA-N 375.902 5.837 30 40 GKEB C=CCSc1nc2c(c(=O)n1C1CCCC1)C1(CCCC1)Cc1ccccc1-2 2183049 JLOGVCOQSWWOFI-UHFFFAOYSA-N 392.568 5.671 30 40 GKEB biogenic CN(C)c1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3c2ccc2ccccc32)cc1 4235625 SFGOOSWDDPIWLN-DEOSSOPVSA-N 396.534 6.106 30 40 GKEB biogenic CC(C)(C)N/C(CCSc1ccccc1)=N\c1c(Cl)cccc1Cl 5713441 XSXZGVXISZBCSR-UHFFFAOYSA-N 381.372 6.594 30 40 GKEB Cc1ccc(/N=C(\Cl)C(Cl)(Cl)/C(Cl)=N\c2ccc(C)cc2)cc1 8432934 LIEBWXQSUKXKAG-XRBXDRSNSA-N 388.125 6.715 30 40 GKEB CCCCCCCCCCCC(=O)Nc1c(CC)c(CCC)nc2ccccc12 97950470 KSGWUZSPOZUYTB-UHFFFAOYSA-N 396.619 7.609 30 40 GKEB CCCCCCCC/C=C\CCCCCCCC1=NC(C)(C)CN1C[C@H](C)O 104326600 PDSMFQXAJKQIOL-FRHQNKJESA-N 392.672 6.897 30 40 GKEB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C=O)[C@@H]1CC[C@@H]2Oc1ccccc1 118927540 FTBCCQMRVHGCFJ-QXMOZHRRSA-N 378.512 5.145 30 40 GKEB C=CCOc1cccc(NC(=S)N[C@H](C)c2ccc(N3CCCCC3)cc2)c1 225666026 BBJLHMZJGGMCFY-GOSISDBHSA-N 395.572 5.289 30 40 GKEB Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4ccc(F)cc4)o3)S2)cc1 408961825 OGWZNSDVRFPPRE-XDHOZWIPSA-N 378.428 5.286 30 40 GKEB CC1=NOC(=O)/C1=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1F 409076441 BCOZWBKADSEYGT-AUWJEWJLSA-N 380.202 5.028 30 40 GKEB COc1ccc(C=CC(=O)c2cccc(C(=O)C=Cc3ccc(OC)cc3)c2)cc1 2049238493 IPABLGMAPCTPSM-UHFFFAOYSA-N 398.458 5.496 30 40 GKEB C=C(C)CSc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCCC3 1244659 INTAUYNPJGABDU-UHFFFAOYSA-N 383.586 5.985 30 40 GKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccccc1/C=N/c1ccccc1 3094841 UELJGNJWOKVVBK-ZMOGYAJESA-N 386.329 6.157 30 40 GKEB CCOc1ccc(/N=C/c2cc3c(C)nn(-c4ccccc4)c3nc2Cl)cc1 3194024 DZNPACAQOXWXGP-ZVHZXABRSA-N 390.874 5.532 30 40 GKEB Cc1cccc(/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2Cl)c1 4357942 HOXVBDNBQGLBDF-ZMOGYAJESA-N 384.262 6.272 30 40 GKEB O=C(O)c1cc(N/N=C/c2ccc(OCc3ccccc3F)cc2)ccc1Cl 4699193 BWEYSLQSIUQOCN-WYMPLXKRSA-N 398.821 5.202 30 40 GKEB CC1(C)[C@H]2CC[C@]1(C)C/C2=N/Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 4746641 QUCPONURMQLKQU-HZZRLUJLSA-N 394.371 6.731 30 40 GKEB Cc1cc(C)c2nc(SCC(=O)Nc3c(C)cccc3C)c(C#N)cc2c1 4849152 HUFJEAKQCTZQEE-UHFFFAOYSA-N 375.497 5.071 30 40 GKEB C=CCSc1nsc(NC(=O)Nc2ccc(Cl)cc2C(F)(F)F)n1 4898406 RUPQGZNDHWWFIU-UHFFFAOYSA-N 394.831 5.132 30 40 GKEB FC(F)(F)c1ccccc1N/N=C/c1sc(Nc2ccccc2)nc1Cl 7140972 AFQGSKBIDYNQMA-LSHDLFTRSA-N 396.825 6.005 30 40 GKEB Cc1ccc(/N=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1 8371733 SXURHPQMQHDFTB-JVWAILMASA-N 385.894 7.131 30 40 GKEB Cc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1 8371872 SOSCUNOKJUSQRA-ZVHZXABRSA-N 378.859 5.417 30 40 GKEB CCOc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1cc(C)cc(C)c1 12406438 JMDPGTJRNZEJOP-VRCPTZKISA-N 376.500 5.455 30 40 GKEB COc1ccccc1/C=C\C=N\n1c(S)nnc1-c1ccc(C(C)(C)C)cc1 12466274 IVTVKOFCRNPTJS-LGQPDWNUSA-N 392.528 5.087 30 40 GKEB N#CCSc1ccccc1C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 12931953 DNDVERYGDRTGHJ-UHFFFAOYSA-N 392.455 5.164 30 40 GKEB COc1ccc2ccccc2c1/C=C1\S/C(=N\c2ccccc2Cl)NC1=O 16227883 SEUSMXXLRBWDHA-UNOMPAQXSA-N 394.883 5.393 30 40 GKEB Cc1ccc(/N=C2\NC(=O)/C(=C/c3cc(C)n(-c4ccccc4)c3C)S2)cc1 83309949 OVYAGGRUAZFACV-STZFKDTASA-N 387.508 5.294 30 40 GKEB O=[N+]([O-])c1cc(Br)cc(/C=N\c2cccc(Cl)c2Cl)c1O 83328004 RBLOYYGYCWXPSI-FMQZQXMHSA-N 390.020 5.120 30 40 GKEB S=c1[nH]ncn1/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12 96562442 BTCUSDXPOCBODC-FOKLQQMPSA-N 394.887 5.208 30 40 GKEB C#CCOC(=O)/C=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 226334201 QQAWUWXMHJGBJB-VMPITWQZSA-N 395.669 5.415 30 40 GKEB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1cccc(F)c1)C2=O 253497829 JPKPGSNREZFIQX-AKVPANRJSA-N 394.530 5.712 30 40 GKEB N#Cc1c(Nc2ccccc2)sc(C(=O)c2cccnc2)c1-c1ccncc1 255189756 RVOZXYAGBHNULM-UHFFFAOYSA-N 382.448 5.051 30 40 GKEB CC(C)COc1ccccc1/C=N\c1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 408604638 VUSMDSAJQRJPJH-GFEOOXAPSA-N 394.584 6.556 30 40 GKEB C=CCN1C(=O)S/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)C1=O 409091954 WGDJCAVADOIZDW-XNTDXEJSSA-N 379.359 5.188 30 40 GKEB COc1cc(/C=N/c2cccc(Cl)c2C)ccc1OCc1ccc(C)cc1 409200952 KPSGCTRRDOBAHE-AFUMVMLFSA-N 379.887 6.295 30 40 GKEB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC/C2=N\N=C/C=C\c1ccccc1 1543011100 CNATZRJRPIOVRF-NDLARBNUSA-N 398.550 6.389 30 40 GKEB CCCC[C@@H]1S/C(=N\N=C\c2ccc(C)cc2)N(Cc2ccccc2)C1=O 2335738 NGSNJSSGLRAOBF-PEHOWQFQSA-N 379.529 5.019 30 40 GKEB CC[C@@H](C)/N=C1/Sc2nc3cc(C)c(C)cc3cc2CN1Cc1cccs1 4858991 DDKNVRDBLKXKIJ-PXFSWQRTSA-N 395.597 6.176 30 40 GKEB CCCC(=O)Nc1ccc(Cl)c(/N=C/c2cc(Cl)cc(OCC)c2O)c1 6263827 UYNHQGHDGUIWTA-SSDVNMTOSA-N 395.286 5.587 30 40 GKEB Oc1c(Cl)cc(Br)cc1/C=N/c1ccccc1N1CCCC1 6615550 FECUNAFWMHATGK-RGVLZGJSSA-N 379.685 5.159 30 40 GKEB CCOc1ccc(/N=C/c2ccc(OCc3ccccc3F)c(Cl)c2)cc1 6962516 CBMKVUZDVUILFM-AFUMVMLFSA-N 383.850 6.207 30 40 GKEB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)O/N=C/c1ccc(C(C)(C)C)cc1 7718638 XFCHKWBXDWQKKX-FCOPOSKFSA-N 380.532 5.875 30 40 GKEB N#Cc1ccc(C(=O)Nc2cc(-c3nc4ccccc4o3)ccc2Cl)c(F)c1 16545311 XXPFOUNYOPBXFF-UHFFFAOYSA-N 391.789 5.411 30 40 GKEB N#C[C@@H](C(=O)c1cc2c(s1)-c1ccccc1CC2)c1ccc(C(F)(F)F)cn1 84576826 KZTVVVBRQLTXSG-MRXNPFEDSA-N 398.409 5.418 30 40 GKEB CCCCCCCc1ccc(-c2c(C#N)c(C)nc3c2C(=O)c2ccccc2-3)cc1 100916127 UXIFKMQPIPBQDC-UHFFFAOYSA-N 394.518 6.653 30 40 GKEB CCCN1C(=O)/C(=C\c2ccc(OC)c(OCC)c2)S/C1=N/c1ccccc1 103217593 PLWHKCGSRJDMBE-MPIQAULUSA-N 396.512 5.108 30 40 GKEB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)c(C#N)c1 225683814 PZWQJGLQMXHWIB-MRXNPFEDSA-N 380.463 5.325 30 40 GKEB CSc1ccccc1/N=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12 408542139 HKLZPJVCUCKUMN-FSJBWODESA-N 390.464 5.453 30 40 GKEB COc1ccc(/C=N\c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1Cl 409089516 IVPLUWPKLWDOGX-PUMVZNGMSA-N 386.948 6.183 30 40 GKEB COc1cccc(Oc2ccc(/N=C/c3cc([N+](=O)[O-])ccc3Cl)cc2)c1 409098252 ODILRIXBMMKWRU-LPYMAVHISA-N 382.803 5.800 30 40 GKEB O=C(O)COc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1Cl 409209687 HUBCVESZSKYDNK-YDZHTSKRSA-N 381.815 5.346 30 40 GKEB CCCCc1ccc(/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1 409228295 WXFWCBCAXVZRFO-VEILYXNESA-N 384.498 6.922 30 40 GKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2cc(C(=O)O)ccc2Cl)cc1OC 409385171 GJIBUEVXEOAWNT-WMJRALALSA-N 396.270 5.628 30 40 GKEB COc1ccc(/C=C/C(=O)C[C@@H](Nc2ccc(Cl)cc2)c2ccccc2)cc1 2257300 RPYXTXTWHYNJBZ-VNQWHQNRSA-N 391.898 6.174 30 40 GKEB OC(C#CC[N+]1(Cc2ccccc2)CCCCC1)(c1ccccc1)c1ccccc1 2333631 SGAORLDIVAMZKB-UHFFFAOYSA-N 396.554 5.127 30 40 GKEB CCc1ccc(Nc2sc(C(=O)c3ccc(Cl)cc3)c(N)c2C#N)cc1 2962281 ULLZRWTZONRFMJ-UHFFFAOYSA-N 381.888 5.392 30 40 GKEB Cn1nc(-c2ccccc2)c(/C=N/OCc2ccc(Cl)cc2Cl)c1Cl 4091643 GSFCNXUPUJUXOL-LSHDLFTRSA-N 394.689 5.598 30 40 GKEB C=C1CC[C@@H](O)C/C1=C\C=C1/CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@@H](C)CCCC(C)C 4492878 QYSXJUFSXHHAJI-GWFFMUOQSA-N 384.648 7.619 30 40 GKEB CCn1cc(/C=C2/C[C@@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]3(C)C2=O)c(C)n1 6490214 VFYSTCQWVDOPQD-PUQUFXMXSA-N 390.527 5.036 30 40 GKEB Cc1ccc(C(=O)O)cc1-c1ccc(/C=N/Nc2nc3ccccc3s2)o1 15008848 JEHOMYQMKQEVIN-SRZZPIQSSA-N 377.425 5.009 30 40 GKEB C=C/C(C)=C\C(=N/C)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 18196612 GUPICBNDRRZPSY-GNTSWZRDSA-N 392.069 5.057 30 40 GKEB O/C(COc1ccc(F)cc1Cl)=N\c1nc(-c2cccc3ccccc23)n[nH]1 40135611 IMVMJSBUSMPTRI-UHFFFAOYSA-N 396.809 5.084 30 40 GKEB CCCCOc1ccc(C(=O)/C=C/Nc2ccc(Br)c(C)c2)cc1 44843242 UUAIDWAQCVWAGW-VAWYXSNFSA-N 388.305 5.745 30 40 GKEB O=C1CCCC2=C1C(c1ccccc1)C1=C(CCCC1=O)N2Cc1ccccc1 59023217 FNERUAYDYXTQAH-UHFFFAOYSA-N 383.491 5.300 30 40 GKEB O=C1C(c2ccccc2)=C(c2ccccc2)[C@H](c2ccccc2)[C@@H]1c1ccccc1 100486758 OYJPHCIJQKVSSN-BDYUSTAISA-N 386.494 6.748 30 40 GKEB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N\Nc3ccc(C(=O)O)cc3)cc21 223479952 QKGCQNFKIJYCEA-OYKKKHCWSA-N 377.488 5.241 30 40 GKEB C[C@]12CCCC[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)C(=O)/C(=C/c3ccccc3F)C[C@H]12 253498452 OIEOFEFLLYWLLM-BLUAZCJYSA-N 380.547 6.821 30 40 GKEB Cc1cc(/C=N/c2ccc(C#N)cc2)c(C)n1-c1ccc(Br)cc1 408781074 REOZWYCLMGPDOR-YDZHTSKRSA-N 378.273 5.479 30 40 GKEB Cc1c(/C=N\c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c2ccccc2n1C 408819785 RVILQEWWSFVJJJ-QRQIAZFYSA-N 382.551 6.705 30 40 GKEB COc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCc1cccc(F)c1 409212397 LVUZKHKANUDKKI-DHRITJCHSA-N 383.850 6.126 30 40 GKEB Cc1ccc(/N=C/c2ccccc2OCc2cccc3ccccc23)cc1Cl 409212789 RFBKCKQUWVUDDU-JVWAILMASA-N 385.894 7.131 30 40 GKEB Cc1ccccc1[C@@H]1CC(=O)N(c2ccc(C(F)(F)F)cc2)C2=C1C(=O)CCC2 1079916 WGVRRRLPPOKTEQ-SFHVURJKSA-N 399.412 5.541 30 40 GKEB Cc1ccc(NC(=N\CC(C)C)/C(=N\CC(C)C)Nc2ccc(C)cc2)cc1 2123160 IYXZZNLTKPAXHU-UHFFFAOYSA-N 378.564 5.936 30 40 GKEB Cc1cc2nc(-c3cccc(/N=C/C=C/c4ccccc4[N+](=O)[O-])c3)oc2cc1C 3169476 PXGAMYSHULFRJI-RQTKGAAPSA-N 397.434 6.436 30 40 GKEB C=C(C)Cn1c([C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)nc2ccccc21 4033569 DTURNQQIQQAKIY-MRXNPFEDSA-N 379.891 5.095 30 40 GKEB O=[N+]([O-])c1ccc(N/N=C(\C=C2CCCCC2)c2ccccc2)c([N+](=O)[O-])c1 4036688 WAFDKBRYFIWSNS-ZBJSNUHESA-N 380.404 5.210 30 40 GKEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(C)cc2)C[C@H]1c1ccc(C(C)C)cc1 4119647 LNMJNVLTQYLSMM-LADGPHEKSA-N 376.496 5.438 30 40 GKEB C/C(=N\Nc1nc(-c2ccccc2)cs1)c1ccc(Cc2ccccc2)cc1 4907201 IAELIALTRUUABI-NLRVBDNBSA-N 383.520 6.237 30 40 GKEB C(#Cc1cnc2ccccc2c1)c1ccc(C#Cc2cnc3ccccc3c2)cc1 5338602 QKVLUQHHPFSPLU-UHFFFAOYSA-N 380.450 5.583 30 40 GKEB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(Cl)cc1)C1=C(CCCC1=O)N2 5577015 LUVBVUOHDSOPOO-NRFANRHFSA-N 389.886 5.399 30 40 GKEB CC(C)=N/N=c1\scc(-c2ccc(Cl)cc2Cl)n1-c1ccc(C)cc1 5896645 QBSVPVBMVHEJSJ-NMWGTECJSA-N 390.339 6.118 30 40 GKEB Cc1ccc(Sc2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)cc1 6031481 OHPCVGDLVBGBEP-YBFXNURJSA-N 398.400 5.002 30 40 GKEB Cc1cc(/C=N\c2ccc(Cl)c(Cl)c2)c(C)n1NC(=O)c1ccccc1 8334722 HTGNEDLPBJEGRN-FMCGGJTJSA-N 386.282 5.546 30 40 GKEB C=CCSc1nnc(-c2sc3nc(C)cc(C)c3c2N)n1-c1ccccc1 8657015 BNXYNGFQNAZQOI-UHFFFAOYSA-N 393.541 5.021 30 40 GKEB Cl/C(=C\C=N\N=C\C=C(/Cl)c1ccc(Cl)cc1)c1ccc(Cl)cc1 16400072 WLGZZBGWSNWECR-WVNBFDEUSA-N 398.120 6.910 30 40 GKEB C=CCOc1ccc(/C=C(/Cl)c2nnc(C(=O)Nc3ccccc3)s2)cc1 40047126 GWQCNVCPGIHLPV-GHRIWEEISA-N 397.887 5.092 30 40 GKEB O=C(/C=C/c1ccccc1)C(C(=O)/C=C/c1ccccc1)=C1SCCS1 68590849 IIFGOXJKXNFCLT-PHEQNACWSA-N 378.518 5.243 30 40 GKEB Cc1c(C#N)c(N)nc2c3c(sc12)N=C1CCCC(O)=C1[C@H]3c1cccs1 102554182 FHAOXABMCDWCJD-OAHLLOKOSA-N 392.509 5.334 30 40 GKEB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@]43C)[C@@H]1C/C(=C\c1cccc(Cl)c1)C2=O 253530048 TXSSXZKDKQSEAN-QXSCIXGXSA-N 397.002 7.335 30 40 GKEB Cc1cc([N+](=O)[O-])cc(C=Nc2ccc(-c3nc4ccccc4s3)cc2)c1O 254481484 UTSODLVWCAIESI-UHFFFAOYSA-N 389.436 5.636 30 40 GKEB Cc1cc(/C=N\c2ccccc2Br)c(C)n1-c1cccc(Cl)c1 408761624 AAXLMOBTMHRKSJ-UUYOSTAYSA-N 387.708 6.261 30 40 GKEB CCN1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)S/C1=N\c1c(C)cccc1C 408911914 OXROZTOQWIVZGF-PXFLKNCJSA-N 392.568 6.225 30 40 GKEB CC1(C)OB(c2ccc(N3c4ccccc4Oc4ccccc43)cc2)OC1(C)C 1857791586 ARJIQEFRIQJOQN-UHFFFAOYSA-N 385.272 5.561 30 40 GKEB CN(C)c1cc(/N=C2\CCCN2c2ccc(Cl)c(Cl)c2)c2ccccc2n1 3212589 QZZPTJHJPZLWOI-LKUDQCMESA-N 399.325 5.938 30 40 GKEB N#Cc1ccc(-c2ccc(OC(=O)c3ccc(OC[C@H]4CCCO4)cc3)cc2)cc1 3297631 YNVOQFAVSPNITB-XMMPIXPASA-N 399.446 5.002 30 40 GKEB N#Cc1c(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)sc2c1CCCC2 4880551 UIZSHRHHUKBKDD-UHFFFAOYSA-N 383.860 5.059 30 40 GKEB O=C(C/C=N/OCc1ccc(Cl)cc1Cl)c1ccc(-c2ccccc2)cc1 5224696 WTJPHGZNJHBNDA-DHRITJCHSA-N 398.289 6.436 30 40 GKEB Clc1ccccc1COc1ccccc1/C=N/Nc1nc2ccccc2s1 5514920 KFFTZPHUPOOXAH-YDZHTSKRSA-N 393.899 5.975 30 40 GKEB Clc1ccc(COc2ccccc2/C=N/Nc2nc3ccccc3[nH]2)cc1 5614611 DLFCPLXYCASBHU-YDZHTSKRSA-N 376.847 5.241 30 40 GKEB C=CCOc1c(Br)cc(CNc2ccccc2Cl)cc1OC 6735785 KTUNPNCNKUSPLP-UHFFFAOYSA-N 382.685 5.288 30 40 GKEB O/N=C(\c1ccc(Br)cc1)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl 8656023 UXPGXJRXNXZJNI-YMYNOVCJSA-N 385.088 5.738 30 40 GKEB N#Cc1c(SCc2ccccc2F)noc1-c1ccc(Cl)c(Cl)c1 12624545 WTCHTXRWOIPPQH-UHFFFAOYSA-N 379.243 5.951 30 40 GKEB O=C1/C(=C\c2ccccc2)CN(C(=O)Oc2ccccc2)C/C1=C\c1ccccc1 18021575 XLDMFJRQWIVEPX-SWRBISBUSA-N 395.458 5.237 30 40 GKEB CCCCCCCn1c([C@@H]2CC(=O)N(c3ccccc3C)C2)nc2ccccc21 50860523 NYMUWOBSNFRPBA-HXUWFJFHSA-N 389.543 5.836 30 40 GKEB Cc1cccc(-c2nc3ccc(/N=C/c4c(O)ccc5ccccc45)cc3o2)c1 102417500 SPSRNQMTWWXGLW-CVKSISIWSA-N 378.431 6.413 30 40 GKEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc(F)cc1)C2=O 118916308 ZEZJMEPOMUWRBS-WISZKZHUSA-N 394.530 5.712 30 40 GKEB O=[N+]([O-])c1cc(-c2ccc(/C=N/Nc3nc4ccccc4s3)o2)ccc1Cl 408735739 WIQWKXNEDWUTIR-KEBDBYFISA-N 398.831 5.564 30 40 GKEB COc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(C4CCCC4)c3C)S2)cc1 408783426 LGMOTILWISHFOX-MOSHPQCFSA-N 395.528 5.120 30 40 GKEB Cc1cc(N2CCCC2)ccc1/C=N/c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 408960375 LGPYSUKUXIMXSK-VUTHCHCSSA-N 398.594 6.814 30 40 GKEB N#Cc1ccc(-c2ccc(/C=N\c3ccccc3I)o2)cc1 409016070 BQRDHIAXNACYRX-MTJSOVHGSA-N 398.203 5.173 30 40 GKEB COC(=O)c1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)s2)cc1 409022520 LXHXJZMCFRQMTP-CIAFOILYSA-N 387.913 6.090 30 40 GKEB Cc1ccc(/N=C\c2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)cc1 409216157 IESSFHBQTSAFBZ-QFEZKATASA-N 392.886 5.725 30 40 GKEB O=C(C1=C(N2CCCC2)CCc2ccccc21)c1ccc(Br)cc1 721425 FFCQOFCUUWRAPU-UHFFFAOYSA-N 382.301 5.085 30 40 GKEB CC1=C(C(=O)c2ccccc2)[C@H](c2ccccc2Cl)n2c(nc3ccccc32)N1 1069470 WBTHSFJGLHKKHS-QFIPXVFZSA-N 399.881 5.862 30 40 GKEB Cc1ccc(C)c(/C=C2\S/C(=N/c3ccccc3C(F)(F)F)NC2=O)c1 4660208 JUIBLGNWGVVVRQ-YBEGLDIGSA-N 376.403 5.214 30 40 GKEB CCOc1cc(/C=N/c2ccc(CC)cc2)ccc1OCc1ccccc1F 8084928 AYLMHYOELXJBMS-WGOQTCKBSA-N 377.459 6.116 30 40 GKEB O=C(/C(=N/N=C/c1cccc(C(F)(F)F)c1)c1ccccc1)c1ccccc1 8150757 HQMYCSDVGKTRAE-FQXBNQDOSA-N 380.369 5.412 30 40 GKEB Oc1cccc2c(N/C(S)=N\c3ccc(SC(F)F)cc3)cccc12 8685640 PZGFEDYHJMLVGX-UHFFFAOYSA-N 376.453 5.890 30 40 GKEB N#Cc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 9233841 FUDAXOLRMKALFF-VIZOYTHASA-N 391.304 5.271 30 40 GKEB COc1ccc(/C(CCCCCC/C(=N\O)c2ccc(OC)cc2)=N/O)cc1 13764083 RTPYQQFQMYVZHY-MBALSZOMSA-N 384.476 5.101 30 40 GKEB C=CCOc1ccc(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1 22534032 BPEMRILYWTUJMK-UHFFFAOYSA-N 398.506 5.457 30 40 GKEB CCN(CC)c1ccc(/C=N\Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 31854354 CJZNDPKIGWPUEL-BKUYFWCQSA-N 395.488 5.011 30 40 GKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C 36434828 IIPHPVVRBVBREZ-UXIWKSIVSA-N 384.648 7.453 30 40 GKEB CN(C)c1ccc(/C=N/CC[C@@H](c2ccccc2)[C@@H]2CCOC(C)(C)C2)cc1 100253427 XWCIXZHNWBURHK-VMAIBVFHSA-N 378.560 5.551 30 40 GKEB CCc1ccc(C(=O)/C=C\Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 100662135 KLKIQGKLNRVMJF-FPLPWBNLSA-N 387.323 6.095 30 40 GKEB Cc1ccc(NC(=O)[C@H](C#N)Cc2cc3ccc(C)cc3nc2Cl)c(C)c1 883032 JPGDFUAOVXPMRV-SFHVURJKSA-N 377.875 5.134 30 40 GKEB CCc1nc(SCc2ccc(Cl)c(Cl)c2)c(C#N)c2c1CCCC2 1894917 GTWHXTAGZDRLKR-UHFFFAOYSA-N 377.340 5.994 30 40 GKEB C=CCOc1ccccc1/C=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1 4073630 XAVJYKWIOSCLKM-PYCFMQQDSA-N 380.447 5.086 30 40 GKEB COc1ccc(/C=N/Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1 4183560 MPFMFIJZPXWBDT-ZVHZXABRSA-N 388.858 5.405 30 40 GKEB CN(C)c1ccc(/C=N/CC[C@H](Cc2ccccc2)[C@@H]2CCOC(C)(C)C2)cc1 5377644 WLIRZHQCAMPRQX-KGSCEHNDSA-N 392.587 5.626 30 40 GKEB COc1ccc(Br)cc1/C=C/C(=O)c1cccc(Br)c1 6170592 OIFYMHGIEWIBPQ-FNORWQNLSA-N 396.078 5.116 30 40 GKEB CCOc1cc(/C=C/C(=O)c2cc(C)sc2C)cc(Br)c1O 6646935 FIEZBYUYPFIOTQ-AATRIKPKSA-N 381.291 5.128 30 40 GKEB C=CCSc1ccccc1C(=O)Nc1ccc2c(c1)c1ccccc1n2CC 7499538 QGULNDQKCGIQDR-UHFFFAOYSA-N 386.520 6.345 30 40 GKEB CCCCCOc1ccc(/C(C)=N/Nc2nc(-c3ccccc3)cs2)cc1 17086363 OVLFNCSSNGQYOG-JJIBRWJFSA-N 379.529 6.215 30 40 GKEB C=CCn1c(S[C@@H](C)c2cccnc2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 58109601 OTQIHQWLVJOKKM-KGLIPLIRSA-N 397.569 5.017 30 40 GKEB Cc1sc(CNc2ccc([N+](=O)[O-])cc2C#N)nc1-c1ccc(Cl)cc1 65587036 IATZFQDYRLNPPA-UHFFFAOYSA-N 384.848 5.164 30 40 GKEB N#Cc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)c(F)c1 408627963 OUDNKKMMMNCHLC-UHFFFAOYSA-N 390.805 5.146 30 40 GKEB CCOc1cc(/C=C2/C(=O)ON=C2C)ccc1OCc1cccc2ccccc12 408942224 YGFARBIITUHHGO-FYJGNVAPSA-N 387.435 5.134 30 40 GKEB CN(C)c1ccc(-n2cccc2/C=N/c2ccc(Nc3ccccc3)cc2)cc1 408949307 ATIUXVQMUWVQLX-LGUFXXKBSA-N 380.495 6.038 30 40 GKEB C#CCn1c(C)c(/C=N/CCNc2cccc3ccccc23)c2cc(C)ccc21 409050373 VCTIYGWYJLXACB-OVVQPSECSA-N 379.507 5.576 30 40 GKEB Cc1ccc(Cl)cc1/N=C/c1cc(Cl)ccc1OCc1ccc(F)cc1 409208182 BRBLMKBLVZQNIT-BRJLIKDPSA-N 388.269 6.771 30 40 GKEB COc1cc(OC)c(/C=N/c2ccc(Cl)c(Cl)c2)cc1Br 668352 XZMZHADFIZNEDW-UFWORHAWSA-N 389.076 5.524 30 40 GKEB O=[N+]([O-])c1ccc(/C=N/c2ccc3oc(-c4cccc5ccccc45)nc3c2)s1 989961 AKVCEPKJFDRXNS-YDZHTSKRSA-N 399.431 6.368 30 40 GKEB N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(Br)cc3)cc2)cc1 1098845 GWMRDKOESVNLNP-UHFFFAOYSA-N 393.240 5.365 30 40 GKEB O=C(CCc1ccccc1)On1c(-c2ccccc2)nc2ccccc2c1=S 1650171 PEECWTNEDKKVRY-UHFFFAOYSA-N 386.476 5.021 30 40 GKEB Clc1ccc(/C=N/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 4976351 INTKJYFIWWTKKD-WYMPLXKRSA-N 390.697 6.976 30 40 GKEB COc1ccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc(C)o2)cc1 5417665 GQEBSFDEXDETTH-SDNWHVSQSA-N 384.435 5.345 30 40 GKEB C/C(=N\NC(=S)Nc1cccc(Cl)c1C)c1ccc(C2CCCCC2)cc1 6473569 BWMLUHIGYMFQDF-PCLIKHOPSA-N 399.991 6.407 30 40 GKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(Cc1ccccc1)[C@@H]2c1ccco1 6782455 JWYFYGIIKUYQNK-RUZDIDTESA-N 398.506 6.096 30 40 GKEB COc1ccc(/C=C2\Oc3cc(OCc4ccccc4F)ccc3C2=O)cc1 12637056 PWRHVGCKYVDDRW-UUYOSTAYSA-N 376.383 5.030 30 40 GKEB biogenic C[C@H]1Oc2ccccc2C=C1/C=C(\C(=O)c1ccccc1)c1nc2ccccc2o1 13617348 PFVKCNKZZNRPFR-GFXBCDTMSA-N 393.442 5.959 30 40 GKEB CC(C)(C)c1ccc([C@@H]2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1 17511196 AJARYOILHGIRID-OAQYLSRUSA-N 383.491 5.286 30 40 GKEB CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N1 19990646 BGTPOMVJGXNYOG-NRFANRHFSA-N 399.918 5.184 30 40 GKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H]5O[C@@H]5C[C@]4(C)[C@H]3CC[C@@]21C 36417617 AKTPAJMBVLOPJG-ZEQHCUNVSA-N 386.664 7.485 30 40 GKEB CCCCCCCn1c([C@@H]2CC(=O)N(c3cccc(C)c3)C2)nc2ccccc21 50860568 JASBJZUHPSCMIG-HXUWFJFHSA-N 389.543 5.836 30 40 GKEB CCCCC(NCCc1c(C)[nH]c2ccc(C)cc12)=C1C(=O)CC(C)(C)CC1=O 100154790 MVEFXZZVYRYKIM-UHFFFAOYSA-N 394.559 5.319 30 40 GKEB Cc1ccc(/C(Cl)=N/C(=C(Cl)Cl)S(=O)(=O)c2ccccc2)cc1 101279647 QEYMAHPHLCZORZ-HKWRFOASSA-N 388.703 5.059 30 40 GKEB CCCCCCCCCCCCNC(=S)Nc1sc(C)cc1C(=O)OC 103005169 KZYGUJDQYNUCAD-UHFFFAOYSA-N 398.638 6.050 30 40 GKEB CCCCCCCCCCCCCCCC[C@H](O)CCCCCCCCC 103661154 SQPREXYCBSQGDO-AREMUKBSSA-N 382.717 9.359 30 40 GKEB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1C/C(=C/c1ccc(Cl)cc1)C2=O 105371579 WCHUABIOEGJTRD-QBDHMZAWSA-N 392.926 6.164 30 40 GKEB biogenic C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](OC(=O)c1ccccc1)c1ccnc2ccccc12 217457245 XOEFQGQIXMPRIN-IYNDAXALSA-N 398.506 5.029 30 40 GKEB biogenic C=CCc1cc(C(=O)Nc2ccc(CSc3ccccc3)cc2)ccc1OC 408705669 KXZFMEGBWGPMNY-UHFFFAOYSA-N 389.520 5.968 30 40 GKEB Cc1ccc(/N=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1[N+](=O)[O-] 408743245 ZRKPNDZWSNOJDJ-OEAKJJBVSA-N 376.460 5.127 30 40 GKEB C=CCN1C(=O)/C(=C/c2cc(C)n(-c3cc(C)ccc3C)c2C)SC1=S 408815017 SVRFSTHPGZOPTB-UNOMPAQXSA-N 382.554 5.098 30 40 GKEB CCCN1C(=O)/C(=C\c2c(F)cccc2Cl)S/C1=N\c1ccc(C)cc1 408915983 SRAPPVVYOWCNJN-INNVFMJMSA-N 388.895 5.802 30 40 GKEB C/C(=N\Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc(Cl)cc1 408924033 MXJJNERKFZAVLV-LSHDLFTRSA-N 396.730 6.606 30 40 GKEB C#CCOc1c(Br)cc(CNc2cc(C)ccc2C)cc1OCC 409111813 CVYWMQMAPUOAKD-UHFFFAOYSA-N 388.305 5.089 30 40 GKEB CCN1C(=O)/C(=C\c2ccc(SC)cc2)S/C1=N/c1ccc(OC)cc1 409234826 MVVPYHRPKPMMQH-KXNKKEQVSA-N 384.526 5.041 30 40 GKEB O=C1N/C(=N/c2ccccc2C(F)(F)F)S/C1=C\c1c[nH]c2ccccc12 4975228 JEEDTFSNKVHVEP-SXGWCWSVSA-N 387.386 5.078 30 40 GKEB CCc1ccc(/N=C/c2cc(Br)c(OC)c(Br)c2)cc1 8084200 SGLHJQSIKYUREQ-VXLYETTFSA-N 397.110 5.533 30 40 GKEB COc1cc(/C=N/c2cc(C)ccc2C)ccc1OCc1ccccc1Cl 8368087 RBTIUKCUMVHWLF-AFUMVMLFSA-N 379.887 6.295 30 40 GKEB Cc1c(Cl)cccc1/N=C/c1ccc(/C=N/c2cccc(Cl)c2C)cc1 17060287 POYDXDCMYRWHAH-BKHCZYBLSA-N 381.306 7.111 30 40 GKEB CCCCCCCCCc1ccc(/C=N/c2ccc(OC(=O)CC)cc2)cc1 68569010 IGPYRWMTNKRZKG-LHLOQNFPSA-N 379.544 7.046 30 40 GKEB Cc1ccccc1N=C(c1ccccc1)N(c1ccc(O)cc1)c1ccc(O)cc1 254832725 JUJPMJVFSCAFIQ-UHFFFAOYSA-N 394.474 6.323 30 40 GKEB O=C(/C=C/Nc1ccc(Nc2ccccc2)cc1)c1ccc(Br)cc1 409176969 CSDSIBSETUZCKH-CCEZHUSRSA-N 393.284 6.001 30 40 GKEB O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1ccc(O)cc1)Nc1ccccc1N2 815778 RDSXILGVSCBBIY-NPMXOYFQSA-N 388.492 5.433 30 40 GKEB N#C[C@@H](c1cccc([N+](=O)[O-])c1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 4723604 TYZHIEMLQKJQDI-PKTZIBPZSA-N 382.423 5.011 30 40 GKEB CCOc1c(Br)cc(Br)cc1/C=N/c1ccc(O)cc1 5335962 LKVQGTYPZZVVRM-GIJQJNRQSA-N 399.082 5.067 30 40 GKEB CCOc1c(Br)cc(Br)cc1/C=N/c1ccccc1C 5335974 QUFRYLLLSBPYAQ-VXLYETTFSA-N 397.110 5.669 30 40 GKEB C[C@H](C#N)OC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12 5888753 KXRWWCWVUODBGP-QGZVFWFLSA-N 378.431 5.638 30 40 GKEB O=C1/C(=C/c2ccc(Cl)cc2)S/C(=N\c2ccccc2)N1C1CCCCC1 8642647 NQJNDERQZNNGKK-WELATPIXSA-N 396.943 6.277 30 40 GKEB CCCCC1CCC(c2nc(C#N)c(NC[C@@H](CC)c3ccccc3)o2)CC1 61997204 VHYCSKPBNLHEHE-OBXNSHGQSA-N 379.548 6.616 30 40 GKEB CCCCCCCC/C=C/CCCCCCCC1=NC(C)(C)CN1C[C@@H](C)O 104326597 PDSMFQXAJKQIOL-MDRMPYQZSA-N 392.672 6.897 30 40 GKEB CCCCCCCCCCCCCCCCCCNCc1ccc(Cl)cc1 104361508 BVQVJCLIXOZRMY-UHFFFAOYSA-N 394.087 8.691 30 40 GKEB Fc1ccc(-c2ccc(/C=N/Nc3ccc(Br)cc3)o2)c(F)c1 408600215 AJFICIWIZJQRGL-UFFVCSGVSA-N 377.188 5.433 30 40 GKEB COc1cc(Br)cc(/C=N/N(c2ccccc2)c2ccccc2)c1O 408814611 HKGDQYGLCNUPRE-HYARGMPZSA-N 397.272 5.336 30 40 GKEB CC[C@H](C)N1C(=O)/C(=C\c2ccccc2Cl)S/C1=N\c1ccc(C)cc1 408914616 OLKMJSKCLIUWKJ-CXPRPJQYSA-N 384.932 6.051 30 40 GKEB COc1ccc(Oc2ccc(/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)cc2)cc1 409064431 DJZCUIFWNFVXIG-LPYMAVHISA-N 382.803 5.800 30 40 GKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2cc(Cl)ccc2OC)cc1OC 409379156 UZAWHSSOOSGJES-VTGBELTLSA-N 382.287 5.939 30 40 GKEB CCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1OC 861125 GVMNFIUECYQYIJ-QHCPKHFHSA-N 392.499 5.316 30 40 GKEB COc1ccc(C2C3=C(CCCC3=O)N(c3ccccc3)C3=C2C(=O)CCC3)cc1 1640474 QUGPGSDNZKWXSX-UHFFFAOYSA-N 399.490 5.313 30 40 GKEB C#CCOc1ccc(-c2nnc(Nc3cccc(Cl)c3)c3ccccc23)cc1 2363018 ZCHOGNRPQPHRCS-UHFFFAOYSA-N 385.854 5.706 30 40 GKEB Oc1ccccc1/C=N/c1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1 3113157 IWJJWPATVHHGBV-FOKLQQMPSA-N 383.234 6.258 30 40 GKEB Fc1ccc(CO/N=C/c2c(-c3ccccc3)nc3ccc(Cl)cn23)cc1 4024646 KKXABNCDEHCDML-WYMPLXKRSA-N 379.822 5.345 30 40 GKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@@H]2c1ccccc1Cl 4035924 FLBGZRASUOJRMN-QFIPXVFZSA-N 388.898 6.089 30 40 GKEB Cc1ccc2sc(N(Cc3cccnc3)C(=O)c3ccc(C#N)cc3)nc2c1C 4273281 ZVMVAJWOEAJTPD-UHFFFAOYSA-N 398.491 5.027 30 40 GKEB O=C1C[C@H](c2ccco2)CC2=C1[C@H](c1ccc(F)cc1)n1c(nc3ccccc31)N2 4386436 XCMUYWXEEBJOJC-CMJOXMDJSA-N 399.425 5.184 30 40 GKEB COc1cccc2cc(-c3nc4ccccc4[nH]3)/c(=N/c3ccc(C#N)cc3)oc12 5125662 OEJOOZPMOCEFND-LCUIJRPUSA-N 392.418 5.089 30 40 GKEB C=CCn1c(SCc2cccc(OC)c2)nnc1-c1ccc(C(C)(C)C)cc1 5501549 STEWNIVCCALLCT-UHFFFAOYSA-N 393.556 5.730 30 40 GKEB COc1cc(/C=N/c2ccc(C)cc2C)ccc1OCc1cccc(Cl)c1 8368703 BTODFZKUTANFBF-AFUMVMLFSA-N 379.887 6.295 30 40 GKEB CCN(CC)c1ccc(NN=C(C(=O)c2ccccc2)C(=O)c2ccccc2)cc1 16678544 WNVQAUSSPYOHMU-UHFFFAOYSA-N 399.494 5.067 30 40 GKEB CN(C/C(O)=N/C1(C#N)CCCCC1)[C@@H](c1ccccc1)c1ccc(F)cc1 23238227 WHFJSQBRDZYRDD-QFIPXVFZSA-N 379.479 5.030 30 40 GKEB C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C\[C@H](C)C(C)C 31356867 MECHNRXZTMCUDQ-DXFMESAFSA-N 396.659 7.641 30 40 GKEB COc1ccc2c(c1)-c1nc(/N=C/c3c(Cl)cccc3Cl)sc1CC2 408723107 QIRYENDYNDYJTN-LSHDLFTRSA-N 389.307 5.975 30 40 GKEB Cc1ccsc1/C=C1\S/C(=N\c2ccccc2)N(Cc2ccccc2)C1=O 408993134 UTJWFULVLGYOSP-DJOYVXLESA-N 390.533 5.861 30 40 GKEB C[C@H]1CCc2c(sc(NC(=O)CSc3nc4ccccc4s3)c2C#N)C1 873390 SDNQKJHTVYZODT-NSHDSACASA-N 399.566 5.085 30 40 GKEB CC(C)OC(=O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N 2060046 ZPRUXDNWEZIYPO-UHFFFAOYSA-N 388.492 5.331 30 40 GKEB O=C(/C=C/c1ccc(Cl)cc1Cl)c1ccc(OC(=O)c2ccccc2)cc1 6344039 GQGCIHXHBIVGCT-UKTHLTGXSA-N 397.257 6.109 30 40 GKEB N#Cc1ccc(NC(=O)Cc2csc(-c3cccc(Cl)c3)n2)cc1Cl 8331395 XSICAEBBCLRQCT-UHFFFAOYSA-N 388.279 5.170 30 40 GKEB N#Cc1cccc(CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)c1 8393571 UFASNQSYADADCO-UHFFFAOYSA-N 394.931 5.878 30 40 GKEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2)cc1 18123017 LVFBSAHSTUIEHZ-SIBVEZHUSA-N 396.490 5.675 30 40 GKEB Cc1ccc(/C=N/N=C2\S[C@@H](C)C(=O)N2Cc2cccc3ccccc23)cc1 33538598 AYUAGQVQJFONOG-FHALBHEESA-N 387.508 5.002 30 40 GKEB Cc1ccc2nc(-c3cc(/N=C/C=C/c4cccc([N+](=O)[O-])c4)ccc3O)oc2c1 100501535 RJEXFEXZVBWIPQ-KMNHIJHVSA-N 399.406 5.833 30 40 GKEB CCCCCCCCCCCCCCCCCC[n+]1ccc([C@H](C)CC)cc1 104328942 IIDXBRLNGUITGP-AREMUKBSSA-N 388.704 8.749 30 40 GKEB C=CCOC(=O)c1cc(Cl)c(OCc2cccc3ccccc23)c(OCC)c1 226325215 VOQOSVHINHSNQM-UHFFFAOYSA-N 396.870 5.814 30 40 GKEB Cc1ccc(/C=C2\C[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1 253499293 DZQWNCYAOSAXOV-UVBLWQDNSA-N 376.584 6.990 30 40 GKEB biogenic Cc1cc(/C=N\c2ccc(Cl)cc2Cl)c(C)n1-c1cccc([N+](=O)[O-])c1 408769210 PKPQUTDYKHHXKD-JJFYIABZSA-N 388.254 6.060 30 40 GKEB CC[C@@H](C)N1C(=O)/C(=C\c2ccc(OC)cc2C)S/C1=N\c1ccc(C)cc1 408913520 MUMWDRNNMJFOMF-QIZRFRSPSA-N 394.540 5.715 30 40 GKEB C[C@@H]1CN(C(=O)Nc2cccc(Cl)c2)/C(=N/c2ccccc2Cl)S1 721895 TUONMUGIBGMEPN-ROUHYJKNSA-N 380.300 5.650 30 40 GKEB Cc1ccc2oc(-c3ccc(C)c(/N=C/C=C/c4cccc([N+](=O)[O-])c4)c3)nc2c1 3001416 HCWUQQBBAJUSMI-MLZQUUFASA-N 397.434 6.436 30 40 GKEB Cc1nnc(C)c2c(C)n(/N=C/c3cc(/N=N/c4ccccc4)ccc3O)c(C)c12 4811779 ULYVTNIUEFRVMK-AHTYHGOYSA-N 398.470 5.668 30 40 GKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc(Cl)cc1N[C@@H]2c1c[nH]c2ccccc12 5190762 IEDJALRKDYLWIL-JOCHJYFZSA-N 391.902 6.043 30 40 GKEB CCCCCOc1ccc(C(=O)Oc2ccc(/C=N/N3CCCCC3)cc2)cc1 5418846 RXJPQEPDEGJKKK-NCELDCMTSA-N 394.515 5.295 30 40 GKEB C=CCOc1c(Br)cc(/C=N/c2ccc(C)cc2C)cc1OCC 6959741 FLXRVQBNCZFMIC-LPYMAVHISA-N 388.305 5.780 30 40 GKEB O=C1C2=C(Nc3ccccc3S[C@H]2c2c(F)cccc2Cl)c2ccccc21 18222318 ZQMYYDFBVVULQT-QFIPXVFZSA-N 393.870 6.346 30 40 GKEB CCOc1cc(/C=N/Nc2ccccc2)ccc1OCc1ccccc1Cl 58822937 LLSVSDYTDMWZNA-BUVRLJJBSA-N 380.875 5.764 30 40 GKEB CCCCCCCCCCOc1ccc(/C=N/c2ccc(C(C)=O)cc2)cc1 68569036 MQSPUPNXVMXMEZ-LHLOQNFPSA-N 379.544 7.159 30 40 GKEB CCCCCCCCCCCCCCC[C@H](O)[C@@H](CO)NC(=O)CCCCC 78215304 VUMHYWBWYSPQMM-PKTZIBPZSA-N 399.660 5.886 30 40 GKEB O=C1c2ccccc2-c2cc(Cl)c(/N=C/c3c(Cl)cccc3Cl)cc21 100355344 GBYPSPMZGHUMDF-YSURURNPSA-N 386.665 6.609 30 40 GKEB C=CCc1cc(C(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)ccc1OC 223318099 LAEZEBHIAGMJIC-QGZVFWFLSA-N 381.516 5.355 30 40 GKEB C=CCOC(=O)/C=C/c1ccc(OCc2ccc(C)cc2)c(Br)c1 226333126 BOQRCKXJCQRMRK-PKNBQFBNSA-N 387.273 5.079 30 40 GKEB Cc1ccc(C(=O)/C=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1 408692427 MFYKYOWBPDQSSR-DHZHZOJOSA-N 384.306 6.605 30 40 GKEB Cc1cc(/C=N/c2cccc3ccccc23)c(C)n1-c1ccc2ncccc2c1 408963834 AINBBFCSGRASRP-OGLMXYFKSA-N 375.475 6.546 30 40 GKEB COC(=O)c1ccc(Cn2cc(/C=N\c3ccc(Cl)cc3)c3ccccc32)o1 409390272 DULLQQSCNNPDDO-MSXFZWOLSA-N 392.842 5.473 30 40 GKEB Cc1cccc2oc(-c3cccc(/N=C/c4cc(Cl)cc(Cl)c4O)c3)nc12 3115293 BCBUJIHFDQJUNQ-BHGWPJFGSA-N 397.261 6.566 30 40 GKEB CC1(C)CC(=O)C2=C(C1)Nc1c(ccc3ccccc13)[C@@H]2c1ccc2c(c1)OCO2 4141578 HMHYLSJUZAKNBC-QHCPKHFHSA-N 397.474 5.769 30 40 GKEB CCOc1cc(/C=N/c2ccc(C)cc2C)ccc1OCc1ccc(Cl)cc1 6961279 NPJKRBSEQUCGRM-CVKSISIWSA-N 393.914 6.685 30 40 GKEB CCOc1cc(/C=N/c2ccc(C)cc2)ccc1OCc1ccccc1Cl 6961575 IFLZOOXHRJTRJK-MFKUBSTISA-N 379.887 6.377 30 40 GKEB Cc1ccc(C)c(/N=C/c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)c1 8368036 LUXMEXQROPUDCO-DHRITJCHSA-N 384.306 6.940 30 40 GKEB C[C@H]1CN=C(N(/C(S)=N\c2ccccc2)c2cccc(C(F)(F)F)c2)S1 13686654 KNXUHOBQBZDZKL-LBPRGKRZSA-N 395.475 5.621 30 40 GKEB CSc1ccc([C+](c2ccc(SC)s2)c2ccc(SC)s2)s1 16248781 ZKAJMHIGHASNSB-UHFFFAOYSA-N 399.698 7.056 30 40 GKEB Cc1cccn2c(=O)c(/C=N/c3ccccc3)c(Nc3ccc(Cl)cc3)nc12 27795811 SDUAYQFQKHZURB-ZVHZXABRSA-N 388.858 5.151 30 40 GKEB CSc1ccccc1/N=C/c1cc(C)n(-c2ccc(C(=O)O)c(Cl)c2)c1C 59249753 NALULOFJPXSTIW-FSJBWODESA-N 398.915 5.918 30 40 GKEB CCCCCCCCCCCCCCCCCCn1c(C=O)nc2ccccc21 100757158 SJOMEKKMVVVLDL-UHFFFAOYSA-N 398.635 8.110 30 40 GKEB COC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc4ncccc4c3)c2C)cc1 150250797 CWFPPPNXDKBLNT-CVKSISIWSA-N 383.451 5.180 30 40 GKEB C=CCN1C(=O)/C(=C/c2ccc3c(c2)C(C)=CC(C)(C)N3CC)SC1=S 208511801 DGXGIFCZJUKMRU-PDGQHHTCSA-N 384.570 5.096 30 40 GKEB Cc1[nH]c(=N)c(C#N)c(-c2ccccc2OCc2ccccc2)c1-c1ccccc1 408981949 WPRUUUNFLKTANL-UHFFFAOYSA-N 391.474 5.587 30 40 GKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3cccc(Cl)c3Cl)c2C#N)C1 409077582 DTDXPTJWOUJAFX-DKZNWEEVSA-N 391.367 6.828 30 40 GKEB COc1ccc(/C=N/CC[C@H](c2ccc(F)cc2)[C@@H]2CCOC(C)(C)C2)cc1 4806718 CNGLEPKVVNXFJC-SBSGUARVSA-N 383.507 5.632 30 40 GKEB COc1cc(/C=N/Nc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1 5417626 CBLBYCJIVULECS-ZMOGYAJESA-N 384.838 5.513 30 40 GKEB C/C(=C\c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)c1cccc(Br)c1 6862673 MSGNSOGCTFWAAT-JXMROGBWSA-N 380.625 5.297 30 40 GKEB COc1cccc(CSc2nc(C34CC5CC(CC(C5)C3)C4)ccc2C#N)c1 6887122 PRBDTCBGGSQWDQ-UHFFFAOYSA-N 390.552 5.722 30 40 GKEB CC1=NOC(=O)/C1=C\c1ccc(OCc2ccccc2)cc1OCc1ccccc1 17206542 SIVXBSIHDUCLKS-UCQKPKSFSA-N 399.446 5.161 30 40 GKEB COc1ccccc1CN/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 20762232 PSJXEIJTFCCJDV-ZVHZXABRSA-N 380.875 5.051 30 40 GKEB CCCC(C)(C)[C@H]1C/C(=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H](C)C1 36354886 DIYFSYBOKDUFNM-UROPCCTASA-N 376.457 5.533 30 40 GKEB C=CCOc1ccc(/C=C2\S/C(=N/c3cc(Cl)ccc3C)NC2=O)cc1 59224203 VKYWUMLHPVTVHJ-WQRHYEAKSA-N 384.888 5.105 30 40 GKEB Cc1ccc(N2C(=O)C3(CCCCC3)[C@H](N3CCCCC3)/C2=N\C(C)(C)C)cc1 101377386 CCRZOPTYRXKLFW-PCOHFRABSA-N 395.591 5.344 30 40 GKEB CC(C)N1C(=O)/C(=C\c2cccc(Cl)c2Cl)S/C1=N\c1ccccc1 408907086 LRQAPNMPJRZEJH-NZQUJZJYSA-N 391.323 6.006 30 40 GKEB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/Nc2ccc(C(F)(F)F)cn2)o1 409117291 OCWBENAGPBPCIU-AUEPDCJTSA-N 390.321 5.023 30 40 GKEB Cc1ccc(Cn2c(/N=C/c3nc4ccccc4n3C)nc3ccccc32)cc1 999161 AYVHRHVGRDTAKH-MFKUBSTISA-N 379.467 5.030 30 40 GKEB CCCCCCCCCCCCn1c(N)c(C#N)c2nc3ccccc3nc21 2260841 UXCYHHJAZRLENS-UHFFFAOYSA-N 377.536 5.959 30 40 GKEB COc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)C(C)(C)CC3)cc1 3168615 XUAWBYDUAXJPHN-XMMPIXPASA-N 383.491 6.158 30 40 GKEB N#Cc1ccc(C(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)cc1 4071290 HXMXHHOLBYIZFE-UHFFFAOYSA-N 380.281 5.302 30 40 GKEB CCOc1ccc(N2CCC/C2=N\c2ccc(Br)cc2C#N)cc1 4601191 STSJJSZMZUKSML-ZBJSNUHESA-N 384.277 5.050 30 40 GKEB COc1ccc(N/N=C(/C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1 5023896 QXSFGIBHYDJSQH-QOMWVZHYSA-N 384.464 5.312 30 40 GKEB Clc1ccc(-c2cs/c(=N\N=C\c3ccccc3)n2-c2ccccc2)cc1 8048461 CKZJIYZEVRXGNB-JZIGQTSASA-N 389.911 5.794 30 40 GKEB COc1ccc(Br)cc1/C=N/c1ccc(Oc2ccccc2)cc1 8160046 ZDYBNCCUQYGWQR-HYARGMPZSA-N 382.257 6.001 30 40 GKEB Clc1ccc(CN/N=C/c2cn(-c3ccccc3)nc2-c2cccs2)cc1 10118908 VPVJKLIZYIPHLL-ZVHZXABRSA-N 392.915 5.378 30 40 GKEB O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)c1 16525123 BTTCSIBIULKFJU-SSDVNMTOSA-N 392.802 5.248 30 40 GKEB O=C(Oc1ccc(/C=N/Nc2nc3ccccc3s2)cc1)c1ccccc1F 59194420 PAXMOSCHSQRCCB-YDZHTSKRSA-N 391.427 5.101 30 40 GKEB O=C(O)COc1ccc(/C=N/c2ccc(Nc3ccccc3)cc2)cc1Cl 59248881 ZVZVRQJNIHZRJC-YDZHTSKRSA-N 380.831 5.298 30 40 GKEB CCCCCCCCCCCc1c2oc3ccc(C)cc3nc-2cc(O)c1=O 85340995 CTJDVXPIYYKHJN-UHFFFAOYSA-N 381.516 6.380 30 40 GKEB biogenic,in-vitro Cc1ccc(/C=C/C(=O)c2c(C)nc3ccccc3c2-c2ccc(Cl)cc2)o1 97165281 CMVAEUFUTQCDRL-BUHFOSPRSA-N 387.866 6.661 30 40 GKEB CCCCCCCNC(=O)CCC(=O)NC1CCCCCCCCCCC1 98045143 SMUKYTKGYYQPQL-UHFFFAOYSA-N 380.617 5.643 30 40 GKEB Cc1cc(/C=N/c2ccc(Cl)c(Cl)c2)c(C)n1-c1cccc([N+](=O)[O-])c1 100116664 AZVBLKYDYLPVKT-SSDVNMTOSA-N 388.254 6.060 30 40 GKEB Cc1cc(/N=C\c2ccc(Cl)cc2)c(/N=C/c2ccc(Cl)cc2)cc1C 104153338 HTRIWMYBNMNFQO-KGRJIBJCSA-N 381.306 7.111 30 40 GKEB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(C=C3C(=O)c4ccccc4C3=O)cc21 113778138 VHLHXMDGWYEYJB-CYBMUJFWSA-N 379.887 5.525 30 40 GKEB C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2OCc1ccccc1 245239443 IXRFWZFRWRUPEP-CXYTZJNRSA-N 378.556 6.104 30 40 GKEB O=C1Nc2ccccc2Oc2ccc(/N=C/c3ccc(Cl)cc3Cl)cc21 408720992 HTHDFEPTOPSGQO-FOKLQQMPSA-N 383.234 6.102 30 40 GKEB CCN1C(=O)/C(=C\c2cn(CC)c3ccccc23)S/C1=N/c1ccc(F)cc1 409235601 CHIHNYJHDCRHCH-ATAQLJSPSA-N 393.487 5.424 30 40 GKEB Cc1cc(C)c2cc(C#N)c(SCC(=O)Nc3c(C)cccc3C)nc2c1 1354372 GSBVNYQNEWZBOM-UHFFFAOYSA-N 375.497 5.071 30 40 GKEB CC(C)c1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)c2ccccc23)cc1 4663796 ORHARHNITJVLGB-QFIPXVFZSA-N 397.518 6.588 30 40 GKEB Clc1ccccc1/C=N/Nc1nc(-c2ccc(Br)cc2)cs1 5583478 SBXLRCPCDZKTEE-DJKKODMXSA-N 392.709 5.672 30 40 GKEB O=[N+]([O-])c1cc(/N=C/c2cc(Cl)cc(Cl)c2O)ccc1N1CCCCC1 6815571 ZYWDUOFGORVPFY-SRZZPIQSSA-N 394.258 5.348 30 40 GKEB C=CCn1c(S[C@H](C#N)Cc2ccccc2)nnc1-c1ccc(Cl)cc1 6905128 UFYBWHXTSZOCEG-SFHVURJKSA-N 380.904 5.011 30 40 GKEB CCCCCCOc1ccc(/C=N/N=c2/[nH]c(-c3ccc(C)cc3)cs2)cc1 11992849 MMZVOWKCHQGHDS-LFVJCYFKSA-N 393.556 5.946 30 40 GKEB C=CCOc1ccc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1 44902458 DWVSZYQEPUIPCG-UHFFFAOYSA-N 382.312 5.430 30 40 GKEB COC(=O)C1=C(C)N(c2ccc(C)cc2)/C(=C/c2cccc3ccccc23)C1=O 58883842 RQMHUKMFHSIKBM-PXLXIMEGSA-N 383.447 5.025 30 40 GKEB Cc1ccc(C(C)C)c(OCCn2cc(C#N)c3cc(Br)ccc32)c1 59109383 ZIEZCLSYYXPIFH-UHFFFAOYSA-N 397.316 5.786 30 40 GKEB CCCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(F)cc1)C2 97939940 PRKDLVUJZNNHHT-QGZVFWFLSA-N 385.479 5.502 30 40 GKEB CCN1c2cc(C)c(/C=N/c3ccc(OC)c(Cl)c3)cc2C(C)=CC1(C)C 198162236 WOEBQRIQQRGOIP-AFUMVMLFSA-N 382.935 6.429 30 40 GKEB C=CCOc1c(Br)cc(CNc2ccc(C)c(C)c2)cc1OCC 409126876 CHSJALQWDBDISN-UHFFFAOYSA-N 390.321 5.642 30 40 GKEB Cc1ccc(-c2cc(C(=O)Nc3ccccc3C#N)c3ccccc3n2)c(C)c1 873814 NZQWFERDTWSWET-UHFFFAOYSA-N 377.447 5.643 30 40 GKEB Fc1ccc(COc2cccc(/C=N/N=C(\S)Nc3ccccc3)c2)cc1 1969641 CGUCWBAFCNHNIU-OEAKJJBVSA-N 379.460 5.137 30 40 GKEB C(#Cc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1)c1ccccc1 2186220 NJPJPAWLGHFVFY-UHFFFAOYSA-N 396.493 6.811 30 40 GKEB O=C1N/C(=N/c2ccccc2Cl)S/C1=C\c1ccc(-c2ccc(F)cc2)o1 3044266 OZOPZPRCGDREAP-WQRHYEAKSA-N 398.846 5.631 30 40 GKEB CC1(C)CC(=O)C2=C(C1)Nc1c(ccc3ncccc13)[C@@H]2c1ccc2c(c1)OCO2 4037147 CRZAPZBQRVDCRX-QFIPXVFZSA-N 398.462 5.164 30 40 GKEB C=C(C)Cn1cnc2c(sc3nc(-c4ccccc4)c4c(c32)CCCC4)c1=O 13733284 BMIYEBIJZBWABS-UHFFFAOYSA-N 387.508 5.128 30 40 GKEB CCN(CC)C(=N\c1ccc(C)cc1)/C(=N\c1ccc(C)cc1)N(CC)CC 17951905 TWAYKDCVENEZPX-MJPLYFDISA-N 378.564 5.747 30 40 GKEB CCN(CC)c1ccc(/C=C2\S/C(=N/c3cc(C)cc(C)c3)NC2=O)cc1 59426807 NQLQEGWAGZFDMN-ZHZULCJRSA-N 379.529 5.041 30 40 GKEB CCCCCCCCCCCCCCCCNC(=O)Nc1ccccc1Cl 100309893 SFZIOBCLKQZUJR-UHFFFAOYSA-N 395.031 7.943 30 40 GKEB Cc1ccc(/N=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cc1C 102648921 JXVKGOSPQDKUCV-XKZIYDEJSA-N 391.383 5.663 30 40 GKEB N#Cc1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cc1 214429716 DHIMPLITZQUIJS-FRKPEAEDSA-N 389.263 5.102 30 40 GKEB C=CCN(c1cc(Cl)ccc1C)S(=O)(=O)c1cc(Cl)ccc1Cl 224935496 WBGBMLPNXPRIAP-UHFFFAOYSA-N 390.719 5.337 30 40 GKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(-c4ccc(F)cc4)o3)C(=O)N2C)cc1 408910363 KJPPPUVIZQCKDO-POHNCSCLSA-N 392.455 5.628 30 40 GKEB CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1)C(=O)C[C@H]2c1ccsc1 1076733 ZBTRYELVWFTJFI-INIZCTEOSA-N 385.916 5.565 30 40 GKEB Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1-c1ccc(CC#N)cc1 1403545 CLWYJRXFBBGFIK-UHFFFAOYSA-N 383.278 5.110 30 40 GKEB CCCCCCCOc1ccc2c(=O)c(Oc3ccc(OC)cc3)coc2c1 1772080 QYHDYFHDWSAPHX-UHFFFAOYSA-N 382.456 5.943 30 40 GKEB biogenic Sc1nnc(-c2ccc(Cl)cc2Cl)n1/N=C\c1ccc(Cl)cc1 2233994 BMWBHBJCOPVMHM-UWVJOHFNSA-N 383.691 5.076 30 40 GKEB Cc1nc(/C(C#N)=N/Nc2ccccc2[N+](=O)[O-])sc1/N=N/c1ccccc1 4292805 YZUKDVGOBHRVIQ-JSMHNXJNSA-N 391.416 5.115 30 40 GKEB COc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCc1ccccc1 8367883 WLTAPERBCRHKSK-AFUMVMLFSA-N 379.887 6.295 30 40 GKEB CC1CCN(c2oc(-c3ccc(COc4ccc(Cl)cc4)o3)nc2C#N)CC1 8654600 BBSMZOBTYVXVPI-UHFFFAOYSA-N 397.862 5.275 30 40 GKEB O=C1/C(=C/c2ccccc2OC(=O)c2cccnc2Cl)Sc2ccccc21 27527883 RKCWBONJWAUHLA-PDGQHHTCSA-N 393.851 5.284 30 40 GKEB CC(C)N1C/C(=C/c2ccccc2Cl)C(=O)/C(=C/c2ccccc2Cl)C1 35228415 WVBVUNNSUHZKDU-VHVWWYSBSA-N 386.322 5.754 30 40 GKEB C/C(=N\c1ccccc1S)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 100643607 BTWKPBMNUNZHPE-BUVRLJJBSA-N 386.476 5.126 30 40 GKEB CCCCCCCCCCCCCCCC[N+]12CCC(CC1)[C@@H](OC(C)=O)C2 104167962 MPDYUIQVSCXDDU-JNLGVIEDSA-N 394.664 6.640 30 40 GKEB Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)C[C@H]1C[C@H]2CC[C@H]1C2 109021900 HGTLEWYPYWLQSE-PCCBWWKXSA-N 376.475 5.365 30 40 GKEB CCCCOc1ccccc1/C=N/c1cc(-c2ccccc2)nn1-c1ccccc1 408737450 RBOPXJHSBTVKRM-NHFJDJAPSA-N 395.506 6.469 30 40 GKEB CC(C)(C)c1ccc(/N=C\c2ccc(O)c(I)c2)cc1 408904276 HJZDECDIGBBQIC-ODLFYWEKSA-N 379.241 5.045 30 40 GKEB CCOc1ccc(Cl)cc1/C=N/c1ccc(Oc2ccccc2OC)cc1 409097976 OZMDJPHAJDKGFY-BUVRLJJBSA-N 381.859 6.290 30 40 GKEB Cc1[nH]c2ccccc2c1C=Nn1c(C2CCCCC2)nc2ccccc2c1=O 409288125 CZXCNTXNKONUFW-UHFFFAOYSA-N 384.483 5.116 30 40 GKEB Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)s1 718193 UWXHPTUWIKXTFX-FPTDNZKUSA-N 392.549 6.098 30 40 GKEB CN(C)C(SCc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)=[N+](C)C 1732655 CZWVBXHQZZXJAV-UHFFFAOYSA-N 395.590 5.377 30 40 GKEB CCCCCCCCOc1ccc(NC(=O)Nc2cccc3ccccc23)cc1 3170694 KTONDEIMEQZTEF-UHFFFAOYSA-N 390.527 7.223 30 40 GKEB COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)cc1 4704708 RTEAXKKVOVJRJR-QNQNADBQSA-N 390.464 5.092 30 40 GKEB CCOc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(C(C)C)cc1 4740363 LLTDZAMYPRHIMM-NTXFERMYSA-N 390.527 5.962 30 40 GKEB CC1(C)CC(=O)C(=C2C=C(c3ccccc3)C=C(c3ccccc3)S2)C(=O)C1 5111290 KRMWQLULLPIKIP-UHFFFAOYSA-N 386.516 6.070 30 40 GKEB C=CCn1c(SCc2cccc(F)c2)nnc1-c1ccc(C(C)(C)C)cc1 5478398 LQCFKVMGWYVBAL-UHFFFAOYSA-N 381.520 5.860 30 40 GKEB Clc1ccc(COc2ccc(/C=N/Nc3nc4ccccc4s3)cc2)cc1 5519552 ROCZVFPCQCMNHX-YDZHTSKRSA-N 393.899 5.975 30 40 GKEB C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\N=C(\C)c1ccc(OC)cc1 5826535 XMJKWFNCVYMSNS-YREHKGDOSA-N 397.931 5.390 30 40 GKEB CC(C)=Nc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 6022382 BRMPNKHZHHAEQZ-UHFFFAOYSA-N 378.497 5.194 30 40 GKEB Clc1nc(Nc2ccccc2)sc1/C=N/Nc1nc2ccccc2s1 7141027 PSEFOISZOHJGFF-VXLYETTFSA-N 385.905 5.596 30 40 GKEB CCc1cccc(C)c1/N=C1\N=C(S)N(c2ccccc2C)C12CCCCC2 13764788 MYPFQCFZNFSLST-UHFFFAOYSA-N 391.584 6.405 30 40 GKEB CC(C)c1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)c2ccccc23)cc1 17511210 ORHARHNITJVLGB-JOCHJYFZSA-N 397.518 6.588 30 40 GKEB CC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cccc(Oc2ccccc2)c1 20672585 OONSNXJRYWPZRX-XMMPIXPASA-N 395.462 5.707 30 40 GKEB CCCCOc1ccc(C(=O)/C=C/Nc2ccc(Cl)cc2C(F)(F)F)cc1 51318546 YDQUONKOYBJQIG-ZHACJKMWSA-N 397.824 6.346 30 40 GKEB COc1ccc(/C=C2/C[C@H](C)Cc3c2nc2ccccc2c3C(=O)OCC#N)cc1 95982845 WTLGAGKHMBBTKC-UKJPIOLTSA-N 398.462 5.047 30 40 GKEB O=[N+]([O-])c1cc(Br)cc(/C=N\c2ccc(Cl)cc2Cl)c1O 98064182 LFGWUOKVYFJMSD-FMQZQXMHSA-N 390.020 5.120 30 40 GKEB CC1(C)C[C@](C)(c2ccccc2)c2cccc3c2N1C(=O)/C3=N/c1ccccc1 100117632 UWAZIBUHDAAKBI-OOVQCZTNSA-N 380.491 5.642 30 40 GKEB CSc1ccc(N/C=C2\Nc3ccc(Br)c(Cl)c3C2=O)cc1 100381190 CLBFXBWOULRSHI-JYRVWZFOSA-N 395.709 5.386 30 40 GKEB C=CCOc1c(Br)cc(CNCCCCCCCC)cc1OC 102560624 LHWHDZNDUKDKDB-UHFFFAOYSA-N 384.358 5.473 30 40 GKEB CCCCCCCCCCC(CCCCCCCCCC)C1CCCCC1 104141702 ZSEPDKTYQJRZIS-UHFFFAOYSA-N 378.729 10.245 30 40 GKEB COc1ccc(/N=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)cc1Cl 223551536 JCZRNGYMQAEWRZ-MMDHUZEPSA-N 384.951 6.600 30 40 GKEB CCN1C(=O)/C(=C\c2cccc(Cl)c2Cl)S/C1=N\c1ccc(C)cc1 408906674 JPMYVTKDPRBVBH-NZQUJZJYSA-N 391.323 5.926 30 40 GKEB O=C1CCCC2=C1C(c1ccccc1)C1=C(CCCC1=O)N2CCc1ccccc1 409030935 IOHFEVPFQYWWKJ-UHFFFAOYSA-N 397.518 5.343 30 40 GKEB COc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1[N+](=O)[O-] 409090021 OCHRMUPXXCWJBG-XMTZNVEYSA-N 397.500 5.438 30 40 GKEB C=CCc1cc(CNc2ccc(CC)cc2)cc(OC)c1OCc1ccccc1 409110861 HHTNHAPFJVJADO-UHFFFAOYSA-N 387.523 6.177 30 40 GKEB COC(=O)c1ccc(Cn2cc(/C=N/c3ccc(F)cc3F)c3ccccc32)o1 409394243 XOQNXZZYPLBAQJ-OPEKNORGSA-N 394.377 5.098 30 40 GKEB CCCCCCCCNC(=O)c1ccc(/N=C/c2ccc(N(C)C)cc2)cc1 3184458 UVQDXJKHBYYJNJ-LGUFXXKBSA-N 379.548 5.594 30 40 GKEB C=CCN(C(=O)c1ccccc1Br)c1nc(-c2ccccc2)cs1 3558673 ZGGMVQHESBGHMY-UHFFFAOYSA-N 399.313 5.405 30 40 GKEB Cc1ccc(-c2ccc(/C=C/C(=O)c3ccc(-c4cccc(Cl)c4)o3)o2)cc1 5543133 GSHMEAXBVJIYTK-PKNBQFBNSA-N 388.850 7.065 30 40 GKEB Cc1cc(/N=C2/C(=O)Nc3c(Cl)cc(Cl)cc32)ccc1Br 6183594 XCRHXZMOOSGHDG-UHFFFAOYSA-N 384.060 5.137 30 40 GKEB C/C(=N\N=c1/scc(-c2ccccc2)n1Cc1ccco1)c1ccc(F)cc1 6303378 ANERESFBEAIJBN-OTDCCMHMSA-N 391.471 5.322 30 40 GKEB C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1C 6868603 PQNCFNZTIOOHAJ-UHFFFAOYSA-N 390.339 6.039 30 40 GKEB CC1(C)CC(=O)C2=C(C1)NN(c1nc3ccccc3s1)[C@@H]2c1ccccc1 8558965 FRDKALRTWBCCRT-HXUWFJFHSA-N 375.497 5.005 30 40 GKEB Clc1ccc(Sc2ccc(/C=N/Nc3nc4ccccc4s3)o2)cc1 9234516 DGAPPRLUJONEBV-RGVLZGJSSA-N 385.901 6.140 30 40 GKEB CCCCCCSC1=C(SCCCCCC)C(=O)c2ccccc2C1=O 14628740 NAROQAYBHJKVTI-UHFFFAOYSA-N 390.614 6.904 30 40 GKEB O=C(/C=C/c1ccccc1)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(F)cc1 16956352 AIXXTYSNQRMLAS-LJJIPZOBSA-N 399.421 5.008 30 40 GKEB CCCC/N=C1/S/C(=C\c2ccc(C(F)(F)F)cc2)C(=O)N1CCCC 17084809 AEHSYWUDWXGELP-LTZDOOBISA-N 384.467 5.578 30 40 GKEB Cc1ccc(-n2c(C)cc(/C=N/Nc3nc4ccccc4s3)c2C)cc1Cl 408589879 NGPQGGXWAOHLFZ-FSJBWODESA-N 394.931 6.112 30 40 GKEB Cc1ccc(/N=C\c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1C 408801398 ANODQESZCQBDDL-WWAUWJAYSA-N 386.495 5.310 30 40 GKEB CCOc1ccc(-n2c(C)cc(/C=N\c3ccccc3C(=O)OC)c2C)cc1 409187006 KSVDILAIZFMNOT-IWIPYMOSSA-N 376.456 5.030 30 40 GKEB c1ccc(N=C2N(c3ccccc3)C(=Nc3ccccc3)N2c2ccccc2)cc1 2289191 KZHSCRQJABAQFQ-UHFFFAOYSA-N 388.474 6.389 30 40 GKEB O=C(C[n+]1cc(-c2ccc3ccccc3n2)cc2ccccc21)c1ccccc1 3098264 NNHPMOVRMBDVOL-UHFFFAOYSA-N 375.451 5.225 30 40 GKEB CC1(C)CC2=NC3=C(C(=O)c4ccccc43)[C@H](c3cccc(Cl)c3)C2=C(O)C1 4322975 NNXUNPKFZOWYSL-LJQANCHMSA-N 389.882 6.118 30 40 GKEB CCCC[C@H](CC)COc1cc(C#N)c(OC[C@@H](CC)CCCC)cc1C#N 4664688 CKCPPOLWIZCTAL-PMACEKPBSA-N 384.564 6.620 30 40 GKEB CCCCCCCOc1ccc(/C=C2/N=C(c3cccc(F)c3)OC2=O)cc1 97959013 FMAHUZQBMYRPCQ-RCCKNPSSSA-N 381.447 5.519 30 40 GKEB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/Nc1sc2ccccc2c1C#N 100931063 KCLSFUJJEYXHGO-XDHOZWIPSA-N 386.480 5.108 30 40 GKEB CCCCCCCCCCCCN[C@H]1CCCCCCCCCC/C1=N\O 100932119 ZWOMVAZXTJSHAI-NOGAPMQYSA-N 380.661 7.610 30 40 GKEB C[C@H](C1=C(c2c(N)ccc3ccccc23)CC(C)(C)CC1=O)c1cccs1 107940008 AIMDGCWUOLKZMQ-HNNXBMFYSA-N 375.537 6.430 30 40 GKEB CC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)cc1 408936903 GIXUGJLZKXTAKZ-WYMPLXKRSA-N 394.858 5.399 30 40 GKEB C[C@@H]1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)/C(=N/c2ccc(F)cc2)S1 1772768769 SHKNIJKASRGSEG-YYPWLFCJSA-N 398.290 5.789 30 40 GKEB O=C1C=C(c2ccccc2)C(=O)[C@@]2(c3ccccc3)C=CC[C@H](c3ccccc3)[C@@H]12 1731621 BMIREVXEZWIFLP-RXWNPYQGSA-N 390.482 5.520 30 40 GKEB C=CCn1c(S[C@H](C)C(=O)Nc2ccc(F)cc2Cl)nc2ccccc21 4492802 RYAIRXCAEGMKRD-GFCCVEGCSA-N 389.883 5.134 30 40 GKEB Cc1cc(C)c2cc(C#N)c(SCC(=O)Nc3cccc(C)c3C)nc2c1 4849189 JYMYRCQEMWHOIL-UHFFFAOYSA-N 375.497 5.071 30 40 GKEB O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1ccco1)Nc1ccccc1N2 4973553 JIXXSAROIHSYJS-CMJOXMDJSA-N 390.870 5.913 30 40 GKEB S=c1[nH]nc(-c2ccccc2)n1/N=C\c1ccc(OCc2ccccc2)cc1 6282314 CEGHOOAUAWVFGV-HAHDFKILSA-N 386.480 5.069 30 40 GKEB COc1ccc(OC)c(/C=C(\C(=O)c2ccc(C)cc2)c2nc3ccccc3o2)c1 12377890 YVZPEJKELGQODQ-HMMYKYKNSA-N 399.446 5.577 30 40 GKEB C=CCc1ccc(Oc2cc(CC=C)cc(-c3cc(CC=C)ccc3O)c2O)cc1 14559568 HFHHTRIAKONNBG-UHFFFAOYSA-N 398.502 6.743 30 40 GKEB biogenic,in-vitro Cc1ccc(-n2c(C)cc(/C=N/NC(=S)Nc3ccccc3)c2C)c(C)c1 28217518 RJATXRABJNCWCP-OEAKJJBVSA-N 376.529 5.031 30 40 GKEB Cc1ccc(-c2nc(N/N=C/c3ccnc4ccccc34)nc3ccccc23)cc1 46085386 PBCVCIRUFXJWSU-JVWAILMASA-N 389.462 5.599 30 40 GKEB CC(=O)Nc1cccc(C(=O)/C=C/C2=Cc3cc(Cl)cc(Cl)c3OC2)c1 58163700 XSRCKMRXJCADMW-AATRIKPKSA-N 388.250 5.167 30 40 GKEB COc1ccc(C(=O)/C=C/Nc2ccc(/N=N\c3ccccc3)cc2)cc1OC 100237811 BRDZPEFRLDFJAT-OXFZHYRCSA-N 387.439 5.928 30 40 GKEB O=C1c2ccccc2C(=O)C1/C(=N/c1cccc(C(F)(F)F)c1)c1ccccc1 100406864 BIDCPHJNRBEJQX-NHFJDJAPSA-N 393.364 5.522 30 40 GKEB CCCCCCCCCNC(=O)C(=O)Nc1ccc(OCCCCC)cc1 103757484 QIIZPTNUBZAULF-UHFFFAOYSA-N 376.541 5.061 30 40 GKEB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1cccs1)C2=O 118916229 ADNXMRIHODUBNW-ZNCYSPLDSA-N 384.585 5.714 30 40 GKEB biogenic CCCCCCCCCc1c(CCCCCCC)ccc(C(=O)O)c1C(=O)O 144922119 SCULWCBUAGJQHY-UHFFFAOYSA-N 390.564 6.889 30 40 GKEB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)C(=O)/C(=C/c3ccccc3)C[C@H]12 253497871 XVNNBSPKVRWTLT-LBQGQOBOSA-N 378.556 5.653 30 40 GKEB biogenic O=C1/C(=C/c2ccc(OCc3cccc4ccccc34)cc2)Sc2ccccc21 408723724 DZQPPESVABVHGO-XYGWBWBKSA-N 394.495 6.748 30 40 GKEB COC(=O)c1cccc(/N=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)c1 408963752 APOJRAIFLQFNES-QQXSKIMKSA-N 388.511 5.929 30 40 GKEB CC[C@@H](C)c1ccc(/N=C/c2ccc(-c3ccc(C)cc3Br)o2)cc1 409250851 OGYAFIGGVZIESK-HUSFYUSLSA-N 396.328 7.282 30 40 GKEB CCN1C(=O)/C(=C\c2ccc(N3CCCCC3)o2)S/C1=N/c1ccc(F)cc1 409251194 TZXSRISFDIEILX-NNCYSHEUSA-N 399.491 5.033 30 40 GKEB CCOc1cccc(/C=N/c2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)c1O 779715 AWBYALNJZYLTFJ-AFUMVMLFSA-N 386.451 5.967 30 40 GKEB O=C1CCCC2=C1[C@H](c1cccs1)CC(=O)N2c1cccc(C(F)(F)F)c1 1080467 BVZPIVSRDJTARG-AWEZNQCLSA-N 391.414 5.295 30 40 GKEB CC1=C(C(=O)c2ccccc2)[C@@H](c2cccc(F)c2)n2c(nc3ccccc32)N1 1427849 OVBHDIVYNCLQEK-JOCHJYFZSA-N 383.426 5.347 30 40 GKEB CSc1ccccc1[C@@H]1CCCCC[C@H]1OS(=O)(=O)c1ccc(C)cc1 1715748 WNCLJWDPZQUUAG-AZUAARDMSA-N 390.570 5.539 30 40 GKEB N#Cc1ccc(-c2ccc(Cl)c(Cl)c2)nc1Sc1ccc(F)cc1 3128312 WSVXSYOLODEDPT-UHFFFAOYSA-N 375.255 6.217 30 40 GKEB CCOc1ccc(-c2csc(/C(C#N)=N/Nc3c(C)cc(C)cc3C)n2)cc1 4175565 CEEHQXYXXDTIBN-NCELDCMTSA-N 390.512 5.474 30 40 GKEB C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccccc3CC)c2C)SC1=S 4704726 MJXKAOGAMNXISU-UYRXBGFRSA-N 382.554 5.044 30 40 GKEB CCOc1ccc(-c2nc(N/N=C3\C[C@@H]4CC[C@@]3(C)C4(C)C)sc2C)cc1 5475661 YOKLJHCYODIKQE-NRIRNXJBSA-N 383.561 6.131 30 40 GKEB O=C1N/C(=N/c2ccccc2)S/C1=C\c1ccc(-c2ccc(Cl)cc2)o1 6276912 YDIRWLDWEKFXGL-PDGQHHTCSA-N 380.856 5.492 30 40 GKEB C/C(=N\Nc1ncnc2sc(-c3ccccc3)cc12)c1cc2ccccc2o1 6312587 YQJWIUVZLQIRSS-AFUMVMLFSA-N 384.464 5.941 30 40 GKEB COc1ccc2cc(-c3cc(C(=O)O[C@@H](C)C#N)c4ccccc4n3)ccc2c1 6585197 ULNCJWMQOOISAM-HNNXBMFYSA-N 382.419 5.132 30 40 GKEB CCCOc1ccccc1/C=C1/S/C(=N\c2ccc(C)cc2)N(CCC)C1=O 8363028 HPQIMRXMZIBXNE-RERTVAKNSA-N 394.540 5.798 30 40 GKEB CCOc1ccc(/N=C2/C(=O)N3c4c2cc(CC)cc4[C@@H](C)CC3(C)C)cc1 12406376 LQIXJXMSPOUKJH-UVWSQDQSSA-N 376.500 5.401 30 40 GKEB CC1=CC(C)(C)N2C(=O)/C(=N\c3ccc(Oc4ccccc4)cc3)c3cccc1c32 96610608 QMBAPUSRXXGMLT-VYIQYICTSA-N 394.474 6.142 30 40 GKEB Cc1cc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1-c1cccc([N+](=O)[O-])c1 100116564 APLZQGAMQFVIHY-SRZZPIQSSA-N 398.806 5.315 30 40 GKEB CC(C)(C)c1ccc(/N=C\c2cc(Br)c(N3CCCC3)o2)cc1 408857234 NTCHAMULZAPVMS-BKUYFWCQSA-N 375.310 5.690 30 40 GKEB CCSc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2ccccc12 409040901 YZNZJSBBZIUFTC-OPVMPGTRSA-N 398.347 5.666 30 40 GKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccccc3OCC#N)c2C#N)C1 409080426 NPMZUYVLIOVYIA-MMDHUZEPSA-N 377.513 5.424 30 40 GKEB CCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(OCC)cc3)c2C)cc1 409187831 UUKWKKPSZXURMH-PCLIKHOPSA-N 390.483 5.420 30 40 GKEB Cc1ccc(/N=C\c2cccc(OCC(=O)Nc3ccccc3)c2)cc1Cl 409213325 SIQHKOWJAJHLQF-OYKKKHCWSA-N 378.859 5.417 30 40 GKEB Cc1ccc(NC(=O)COc2cccc(/C=N/c3cccc(Cl)c3)c2)cc1C 409378104 LWHYPAYOSYCQNT-AFUMVMLFSA-N 392.886 5.725 30 40 GKEB C[C@H]1CCc2c(sc(NC(=O)CCCOc3ccc(Cl)cc3)c2C#N)C1 1773661 PXYFRYYAQYULMP-ZDUSSCGKSA-N 388.920 5.196 30 40 GKEB CCc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2C#N)cc1 2807728 YTDLXOZBHHWSFU-UHFFFAOYSA-N 377.425 5.010 30 40 GKEB COc1ccc(/C=N/c2oc(-c3cccs3)c(-c3cccs3)c2C#N)cc1 3221015 CDZMDPNFSASVAB-YDZHTSKRSA-N 390.489 6.367 30 40 GKEB CC1(C)Cc2c(C#N)c(NCc3ccccc3)nc(-c3ccco3)c2CS1 5482244 JEBYAYDDFWVVTK-UHFFFAOYSA-N 375.497 5.393 30 40 GKEB CC(C)n1c(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)nc2ccccc21 8618331 BHLLGKOXFJIKOJ-KRWDZBQOSA-N 392.528 5.045 30 40 GKEB C=CCSc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCCC3 8656160 TWMHLLPCZWLFJO-UHFFFAOYSA-N 389.549 6.063 30 40 GKEB Cc1c(OC(=O)C(C)(C)C)ccc2c1O/C(=C/c1cn(C)c3ccccc13)C2=O 8991129 DUCUTRHDGIGAFD-UDWIEESQSA-N 389.451 5.054 30 40 GKEB C=CCN(C(=O)CCSC)c1nc(-c2ccc(OC)c3ccccc23)cs1 13150084 PLKXHRXGYWEFKA-UHFFFAOYSA-N 398.553 5.244 30 40 GKEB O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)c1ccc(N2CCOCC2)cc1 48253035 YMYNOZINEWLNKX-PKNBQFBNSA-N 393.870 5.333 30 40 GKEB FC(F)(F)c1cc(C(F)(F)C(F)(F)C(F)(F)F)n(-c2ccccc2)n1 95682121 VGGSGZKRTOUGOP-UHFFFAOYSA-N 380.185 5.181 30 40 GKEB N#Cc1nc(CCC2CCCCC2)oc1N1CCN(c2cccc(Cl)c2)CC1 96346481 WOQZWULYFNXAIU-UHFFFAOYSA-N 398.938 5.039 30 40 GKEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1cccs1)C2=O 97528767 IWWSCPLMANPYFX-SSKSBXBHSA-N 382.569 5.634 30 40 GKEB CCCCCCCCCCOc1ccc(C(=O)Oc2ccc(C(C)=O)cc2)cc1 97949793 ZWWIRWVYCOKXLI-UHFFFAOYSA-N 396.527 6.628 30 40 GKEB CCCCCCCc1ccc(-c2noc(-c3cccc(Br)c3)n2)cc1 98000502 GQJVJICTLGXGNA-UHFFFAOYSA-N 399.332 6.679 30 40 GKEB CCCCCCCCCCCCCCCCCCNC(=O)[C@@H](C)OC(C)=O 104394565 DPRXJIQKNUUUQG-OAQYLSRUSA-N 383.617 6.316 30 40 GKEB CCN1c2ccc(/C=N/c3ccc(N4CCOCC4)cc3)cc2[C@H](C)CC1(C)C 198094735 RHPXEHPHWGTIIC-YRDQYSPCSA-N 391.559 5.386 30 40 GKEB C=CCN1C(=O)/C(=C/c2cc3c(cc2C)N(C)C(C)(C)C[C@@H]3C)SC1=S 208228479 FZOBFIQLGOITRD-DZBQEORWSA-N 386.586 5.104 30 40 GKEB Cc1cc2c(cc1/C=N\c1ccc(N(C)C)cc1)[C@H](C)CC(C)(C)N2C(C)C 223618214 KILVGMSRIKBGGC-NLULDLIBSA-N 377.576 6.312 30 40 GKEB CCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cc1C#N 225765667 VNOFCVUVBYKYHH-UHFFFAOYSA-N 382.891 5.451 30 40 GKEB C=CCOC(=O)c1cc(-c2ccc(C)cc2)nc2ccc(Br)cc12 226360054 XJYPSJRABNXWLC-UHFFFAOYSA-N 382.257 5.316 30 40 GKEB CCN(CC)c1ccc(/N=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1 408741060 NQWUDDQMSFPTJO-NLRVBDNBSA-N 388.559 5.757 30 40 GKEB CCOc1ccc(/C=N\c2ccc(C)cc2C)cc1I 408907400 NEQZNLOJXRHRNR-ODLFYWEKSA-N 379.241 5.057 30 40 GKEB CC/N=C1/S/C(=C/c2cc(C)n(-c3ccccc3Cl)c2C)C(=O)N1CC 408928552 CICBSCUXDZPZDR-LMDBJESCSA-N 387.936 5.060 30 40 GKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccc(OC)c(Cl)c2)cc1OC 409387253 OYBQTMPIIMIRRF-VTGBELTLSA-N 382.287 5.939 30 40 GKEB O=C(c1cc(F)c(Cl)c(F)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575242908 WJCOLFNMWHBURN-UHFFFAOYSA-N 394.567 5.269 30 40 GKEB Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc2nc(-c3ccccc3)[nH]c2c1 1434935 XIPXWUGPSHEORL-FOKLQQMPSA-N 382.250 5.993 30 40 GKEB CCCCCCCCCOc1cccc(CNc2cccc3ccccc23)c1 2270418 DSDYFCHAUHGCLD-UHFFFAOYSA-N 375.556 7.581 30 40 GKEB O=c1oc2ccccc2cc1-c1ccc(/N=C/c2ccc(Cl)c(Cl)c2)cc1 3140407 ICVSHPGONGPLCY-DHRITJCHSA-N 394.257 6.517 30 40 GKEB COc1ccc(/N=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1 3243282 CSEQPLONABSDKY-PCLIKHOPSA-N 383.451 5.307 30 40 GKEB C=C(C)COc1cc2c(-c3cc4cccc(OC)c4o3)cc(=O)oc2cc1C 4586225 GPOGUECFIPZIJM-UHFFFAOYSA-N 376.408 5.478 30 40 GKEB biogenic CC[C@]1(C)C[C@](CC/N=C/c2ccccc2O)(c2ccccc2OC)CCO1 4805417 XTRWYLUNPNUULW-AGFIODOGSA-N 381.516 5.127 30 40 GKEB CCOc1cc([C@H]2C3=C(CCCC3=O)Nc3ccc4ccccc4c32)ccc1O 4930233 UUTQZXJOZZWFEI-HSZRJFAPSA-N 385.463 5.509 30 40 GKEB CCCCCOc1ccc(C(=O)Oc2ccc(/N=C/c3cccnc3)cc2)cc1 5792506 WQZKHAVBQUPDMU-NLRVBDNBSA-N 388.467 5.620 30 40 GKEB CC[C@H](C)c1ccccc1/N=C/c1cc(Br)cc([N+](=O)[O-])c1O 6449791 XVLGHUQUYSYXJC-VSMYLPJWSA-N 377.238 5.327 30 40 GKEB Cc1cc(C(=O)N2CCC(C(=O)/C=C(\Cl)c3ccccc3)CC2)sc1C 6681886 VSZHPHFCHWZWMI-AQTBWJFISA-N 387.932 5.066 30 40 GKEB COc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 8116550 RCOZEZGHKFAURI-ZMOGYAJESA-N 386.278 6.332 30 40 GKEB C=CCn1c(Cc2ccc(OC)cc2)nnc1SCc1ccccc1Cl 14091783 FOKUHLVZWMXNNT-UHFFFAOYSA-N 385.920 5.009 30 40 GKEB CCCCCCCCCCCc1c(O)c(O)cc2nc3ccc(C)cc3nc12 85340936 IGZNNPFMSFXGKU-UHFFFAOYSA-N 380.532 6.576 30 40 GKEB biogenic,in-vitro Cc1c(/C=N/OCc2ccccc2C#N)c2ccccc2n1Cc1ccccc1 408595503 XEJDCGGKRHVWSA-JVWAILMASA-N 379.463 5.420 30 40 GKEB Cc1cccc(/N=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)c1C 409219237 OQKZGKDTVLGSQC-LQKURTRISA-N 383.466 6.925 30 40 GKEB COC(=O)c1ccc(/C=N/c2ccc3oc(-c4ccc(N(C)C)cc4)nc3c2)cc1 4712819 CWOOCVYSLQLFFV-MFKUBSTISA-N 399.450 5.098 30 40 GKEB C/C(=N\NC(=S)Nc1ccc(C(C)C)cc1)c1ccc(OC(F)F)cc1 4871721 SGFKWXBRGMBPBO-YDZHTSKRSA-N 377.460 5.122 30 40 GKEB COc1cc(/C=N/Nc2cccc(Cl)c2)ccc1OC(=O)c1cccs1 4921194 ZMMBUKXZNWTSCN-CIAFOILYSA-N 386.860 5.075 30 40 GKEB COc1ccc(-c2cc(-c3ccccc3)nc(N/N=C/c3ccccc3)n2)cc1 5003260 HQXHGOCIQBDQJV-KOEQRZSOSA-N 380.451 5.265 30 40 GKEB O=C1C[C@H](c2ccco2)CC2=C1[C@@H](c1ccccc1)n1c(nc3ccccc31)N2 5343537 AWLBFHSWHGXHLM-WAIKUNEKSA-N 381.435 5.045 30 40 GKEB CC(=O)/C(=N\Nc1c(Cl)cccc1Cl)Sc1cccc2cccnc12 100933327 JHDFXPDHORWIFV-PTGBLXJZSA-N 390.295 5.648 30 40 GKEB CO/N=C1/C=C2CC[C@H]3[C@@H]4C[C@@H]5CCCC[C@@]5(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 118913477 CTVOPPAULYUILQ-AUNAFZGVSA-N 397.603 6.327 30 40 GKEB C#CCOc1c(Br)cc(CNc2ccc(Cl)cc2)cc1OCC 409182192 JBDDHQOICKCRMA-UHFFFAOYSA-N 394.696 5.125 30 40 GKEB Cc1ccc(/N=C/c2c(OCc3ccccc3)ccc3ccccc23)cc1Cl 409215356 ZOEMIRBWEIPFFT-JVWAILMASA-N 385.894 7.131 30 40 GKEB O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1ccccc1F)Nc1ccccc1N2 720480 VWTJBNWEENSQDU-FATZIPQQSA-N 390.483 5.867 30 40 GKEB C=C(C)CSc1nc2c(c(=O)n1CCC)C1(CCCC1)Cc1ccccc1-2 2250032 HYMZIZRLPVMGOC-UHFFFAOYSA-N 380.557 5.356 30 40 GKEB Cc1ccc(-c2nc3cc(/N=C/c4cc([N+](=O)[O-])ccc4O)ccc3o2)cc1C 3191522 YEELCKFZNMFMRJ-FSJBWODESA-N 387.395 5.476 30 40 GKEB Cc1cc(Cl)ccc1O[C@H](C)C(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 7814553 VSYFAWYWSHRXAD-MRXNPFEDSA-N 391.854 5.560 30 40 GKEB CC/C(=N\Nc1ccnc2cc(Cl)ccc12)c1ccc(OC(F)F)cc1 12525020 MUHJGAZDKNXFEJ-LFVJCYFKSA-N 375.806 5.716 30 40 GKEB COc1cccc(-n2cnnc2SCc2ccc(-c3ccccc3C#N)cc2)c1 12550901 HOWMDLVZWLVZFA-UHFFFAOYSA-N 398.491 5.107 30 40 GKEB C/C(=N\Nc1ccnc2cc(Cl)ccc12)c1ccc(C2CCCCC2)cc1 12564413 PMSGPQAQRNTJBF-WGOQTCKBSA-N 377.919 6.772 30 40 GKEB Cc1ccc(N2C(=S)N/C(=N\c3ccccc3C)[C@@]23CCOC(C)(C)C3)cc1 13477762 MYMSTEVQCASSCP-QHCPKHFHSA-N 393.556 5.056 30 40 GKEB CC(=O)Nc1sc(N/N=C/C=C/c2ccccc2)nc1-c1ccc(C)cc1 13549154 LFEUOSZKVBMANR-HSRIELGNSA-N 376.485 5.188 30 40 GKEB CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1cccc(Cl)c1 19418908 BHEHSWJFHAYKMZ-UHFFFAOYSA-N 383.919 5.313 30 40 GKEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 25465636 GKLDMWALTBKUMH-UHFFFAOYSA-N 379.419 5.074 30 40 GKEB CC(=O)C1=C(Nc2cc(Cl)cc(Cl)c2)N(C(C)=O)c2ccccc2S1 27526309 VLMHPEMDVZRVRB-UHFFFAOYSA-N 393.295 5.322 30 40 GKEB C=CCN(C(=O)c1sc2nc(C(F)(F)F)cc(C)c2c1N)c1ccccc1 32117764 UBKYZZDFQGVKIM-UHFFFAOYSA-N 391.418 5.039 30 40 GKEB CCOc1ccc(/C=N/c2ccc(/C=C3\C(=O)[C@H](C(C)C)CC[C@H]3C)cc2)cc1 32689309 AOVYIILFFICBDN-CYZFZHEXSA-N 389.539 6.491 30 40 GKEB CC(C)N1C/C(=C/c2ccc(Cl)cc2)C(=O)/C(=C/c2ccc(Cl)cc2)C1 72408181 SGSHBMOMHVAQLF-VHVWWYSBSA-N 386.322 5.754 30 40 GKEB O=C1/C(=C\c2cccs2)S/C(=N\c2ccccc2)N1Cc1ccccc1 108758111 ZJFKXDAMWDZUCK-KLPPEWMLSA-N 376.506 5.552 30 40 GKEB CCOc1cc(/C=N/Nc2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 409182050 HUVOTQGACXPBNU-HZHRSRAPSA-N 391.427 5.019 30 40 GKEB Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(F)cc2)cc1 1076888 ZTFPMUGGAUJJRF-AFMDSPMNSA-N 398.481 6.114 30 40 GKEB Cc1ccc2nc(-c3ccc(/N=C/c4c(O)cc(C)c(Cl)c4C)cc3)oc2c1 3085001 BWQOTCWPNCJPFS-BRJLIKDPSA-N 390.870 6.530 30 40 GKEB N#Cc1ccc(Cl)cc1NC(=O)CSc1nc2cc(Cl)ccc2s1 3218211 UOOGENIUDWPLBR-UHFFFAOYSA-N 394.308 5.206 30 40 GKEB CN(C)c1ccc(/C=N/CC[C@@]2(Cc3ccccc3)CCOC(C)(C)C2)cc1 3999264 FMZIMLQQWZOBBT-IDHKNCDOSA-N 378.560 5.380 30 40 GKEB biogenic Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/Nc2nc3ccccc3s2)o1 4866050 KJGJKAJOJUIJAQ-RGVLZGJSSA-N 378.413 5.219 30 40 GKEB Oc1ccc(Br)cc1/C=N/c1c(-c2cccs2)nc2ccccn12 5595262 OZBRDPVHCOPNPG-RGVLZGJSSA-N 398.285 5.282 30 40 GKEB C/C(=N\Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1Cl 5834637 LANLKEMJCCZKAN-IFRROFPPSA-N 382.505 6.790 30 40 GKEB N#Cc1cnc2c(c(-c3ccccc3)nn2-c2ccccc2)c1-c1cccs1 5902315 IELWKSVNTOUQOQ-UHFFFAOYSA-N 378.460 5.688 30 40 GKEB Cc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)s2)[n+]2ccccc2)cc1 7611377 IGCXWAXZJWDXKR-UHFFFAOYSA-O 387.937 5.048 30 40 GKEB CCc1ccc(/N=C/c2ccc(OCc3cccc4ccccc34)c(OC)c2)cc1 8084825 DFUDTQDGYGGEEX-MTDXEUNCSA-N 395.502 6.740 30 40 GKEB Oc1ccccc1/C=N\N=C(\C=C\c1ccccc1Cl)c1ccc(F)cc1 8637746 PQAZVBGWMZXENT-MZHOQJIUSA-N 378.834 5.721 30 40 GKEB Oc1c(Br)cc(Cl)cc1/C=N/c1ccc2c3c(cccc13)CC2 16431646 FVMOIVWHKSQJQH-LSHDLFTRSA-N 386.676 5.811 30 40 GKEB C(=N/Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)\c1ccc2c(c1)OCO2 59484241 YXNUXCBRLCLCCZ-ZVHZXABRSA-N 399.475 5.652 30 40 GKEB CC(C)=NNc1nc2cc(C)c(NC(=O)c3ccc(Cl)cc3)c(C)c2s1 72228608 DOCMNGRMMLUBHN-UHFFFAOYSA-N 386.908 5.627 30 40 GKEB N#Cc1ccc(COCC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1 77191698 RZRMRJPFWZGMIZ-UHFFFAOYSA-N 388.433 5.006 30 40 GKEB O=C1/C(=N\Nc2ccccc2)c2ccccc2N1Cc1ccc(Cl)c(Cl)c1 100327078 PLGZBBRAGGMAJY-QQTULTPQSA-N 396.277 5.356 30 40 GKEB Fc1ccc(/C=N/Nc2nc(-c3ccc(Br)cc3)cs2)s1 252503218 UZPGONNJAOMAFE-REZTVBANSA-N 382.283 5.219 30 40 GKEB CCOc1cccc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c1 408586952 DFMMKCBRBUTKFL-MTDXEUNCSA-N 392.458 6.635 30 40 GKEB CCCCCCCCCNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 408707414 AJWUWROGUFHJDW-UHFFFAOYSA-N 392.849 5.164 30 40 GKEB CCOc1ccccc1/N=C\c1cc(C)n(-c2ccc(Cl)c(C(=O)O)c2)c1C 408951642 UUIDAYYRWJGVQI-CFRMEGHHSA-N 396.874 5.595 30 40 GKEB CCOC(=O)c1cc(-c2ccc(/C=N/c3oc(C)c(C)c3C#N)o2)ccc1Cl 409090411 PJBAJCSXNRJBAC-BHGWPJFGSA-N 396.830 5.609 30 40 GKEB O/C(=N\[C@@H](Sc1ccc(Cl)cc1)C(Cl)(Cl)Cl)c1ccccc1 2147305 NOXDIPWNQOTUAB-AWEZNQCLSA-N 395.138 6.133 30 40 GKEB in-vivo Clc1ccc(/C=C/C=N/c2cccc(-c3nc4ccccc4o3)c2)c(Cl)c1 2756817 XIMDVYJOEZPUNX-MLZQUUFASA-N 393.273 7.217 30 40 GKEB C=CCn1c(SCc2csc(-c3ccccc3)n2)nnc1-c1ccoc1C 3312072 LCYSWWKZOPVXAK-UHFFFAOYSA-N 394.525 5.448 30 40 GKEB C=CCn1c(SCCCC(=O)c2ccccc2)nc2sc(C)c(C)c2c1=O 3449822 NKGFUVGMHKOPFG-UHFFFAOYSA-N 398.553 5.016 30 40 GKEB C=CCCCCCCCCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 4759450 FBIFTSUMBYVEJC-UHFFFAOYSA-N 397.946 6.816 30 40 GKEB CCCCC1CCC(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2C#N)CC1 5003636 GNLNNDSSLKQEIA-UHFFFAOYSA-N 386.495 5.999 30 40 GKEB Cn1cc(/C=C2\C/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)c2ccccc21 5243435 CODQZOFVNTYLOP-VYQITIDFSA-N 395.462 5.317 30 40 GKEB CCN(CC)c1ccc([C@H]2Nc3cc4ccccc4cc3C3=C2CCCC3=O)cc1 5321964 BWDJSDXYDFJONL-HHHXNRCGSA-N 396.534 6.359 30 40 GKEB COc1ccc([C@@H]2C[C@H]2/C(=N/OC(=O)c2cccs2)c2ccccc2)cc1 5527077 JSQYHPONISJPOF-YMYHBSLRSA-N 377.465 5.122 30 40 GKEB O=c1c(/C=N\Nc2nc3c(Cl)cccc3s2)coc2ccc(Cl)cc12 5582553 VPDLWYYEXRVSNG-SCDVKCJHSA-N 390.251 5.156 30 40 GKEB Cc1ccc(Cn2cc(/C=N/Nc3nc4ccccc4n3C)c3ccccc32)cc1 7343404 WBEFANVDZGNFBF-CVKSISIWSA-N 393.494 5.331 30 40 GKEB Cc1ccccc1[C@@H]1C2=C(C[C@H](c3ccco3)CC2=O)Nc2nc3ccccc3n21 7495968 YSCAAUYCTFNRIO-UPCLLVRISA-N 395.462 5.353 30 40 GKEB CCc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)cc1 8085015 ICAIABIUYZVMEF-XQNSMLJCSA-N 379.481 5.076 30 40 GKEB Clc1ccc(CN/N=C/c2cccc(OCc3ccccc3Cl)c2)cc1 10118891 PKXRNXOTDVGYDN-AFUMVMLFSA-N 385.294 5.696 30 40 GKEB Cc1cccc(CSc2nc(O)c(C#N)c(-c3ccc(C(C)(C)C)cc3)n2)c1 15859786 ZUPQYLBMFAIDBP-UHFFFAOYSA-N 389.524 5.619 30 40 GKEB Cc1cc2c(cc1C)N[C@H](c1ccc(Cl)cc1)C1=C(CC(C)(C)CC1=O)N2 18137893 TYSIWLQUMGEXCP-JOCHJYFZSA-N 380.919 6.179 30 40 GKEB COc1cccc(/C=C/C(=O)c2c(-c3ccccc3)c3cc(C)ccc3[nH]c2=O)c1 79098384 MBMMYTJTNKTNHP-WYMLVPIESA-N 395.458 5.408 30 40 GKEB CCCn1c(SCc2cccc(C#N)c2)nc2ccc(C(F)(F)F)cc21 89960698 BMLMPNVTIAJDSD-UHFFFAOYSA-N 375.419 5.629 30 40 GKEB COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=C/c3ccc(F)cc3)C[C@H]12 105263871 XDSUORUHJZFDRR-JHJLEOOKSA-N 390.498 5.953 30 40 GKEB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C/C(=O)n2cc(C#N)c3ccccc32)o1 226362403 AWFDMXSVXFJYOF-PKNBQFBNSA-N 397.390 5.343 30 40 GKEB Cc1ccc(-n2c(C)cc(/C=N/OCc3cccc([N+](=O)[O-])c3)c2C)c(C)c1 408595082 VOHLJSJSZMVJBI-YDZHTSKRSA-N 377.444 5.170 30 40 GKEB CCCOc1ccc(/C=C2\SC(=Nc3cccc(Cl)c3C)NC2=O)cc1 408737971 GUWWQJXILAPOKF-PDGQHHTCSA-N 386.904 5.329 30 40 GKEB Brc1ccc(-n2cccc2/C=N\c2ccc3ccccc3c2)cc1 408850976 SREPWBBDYXXOFM-HAHDFKILSA-N 375.269 6.144 30 40 GKEB O=C(c1ccc(Br)c(Cl)c1)C(F)(F)C(F)(F)C(F)(F)F 575362103 CALVDBJMIDRNJZ-UHFFFAOYSA-N 387.476 5.118 30 40 GKEB C=CCn1c(SCc2cccc3ccccc23)nc2sc(C)c(C)c2c1=O 2264106 GZWWDWLENBAKNM-UHFFFAOYSA-N 392.549 5.706 30 40 GKEB C=CCOC(=O)Oc1ccc2c(=O)c(Oc3cc(C)cc(C)c3C)coc2c1 2886960 XWYGDZPYECWOOH-UHFFFAOYSA-N 380.396 5.212 30 40 GKEB Brc1ccc(-c2ccc(/C=N/Nc3ccc4ccccc4c3)o2)cc1 5555001 ATKJNYZIWRLQBN-OEAKJJBVSA-N 391.268 6.308 30 40 GKEB CCOc1cc(/C=N/c2ccc(OC)cc2)ccc1OCc1ccc(F)cc1 6961327 WREKGJXYDOBFGE-MFKUBSTISA-N 379.431 5.563 30 40 GKEB C=CCn1c(SCc2ncc(-c3ccccc3)o2)nnc1C1CCCCC1 7784303 YJSZSAIIIOUXHF-UHFFFAOYSA-N 380.517 5.459 30 40 GKEB CCCCCCCC[C@H]1C[C@H]1C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1 8427298 TXARVQHFADSRPS-NZQKXSOJSA-N 392.543 6.264 30 40 GKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc4nsnc4c3)c2C#N)C1 21595788 PENBPEBWKOWXOX-GFCCVEGCSA-N 396.541 5.028 30 40 GKEB C(=N/N(/C(=N\Nc1ccccc1)c1ccccc1)c1ccccc1)\c1ccccc1 30731377 FJCPBNXVJQBWAU-URJXDNCHSA-N 390.490 6.001 30 40 GKEB O=[N+]([O-])c1ccc(N/N=C\c2ccccc2OCc2ccc(Cl)cc2)cc1 33555404 QPFNLCIPCHWOKA-XKZIYDEJSA-N 381.819 5.273 30 40 GKEB C[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(-c4ccccc4)o3)c2C#N)C1 57312805 LHVBWXMWTIFLTN-SAAWKEMMSA-N 388.492 5.656 30 40 GKEB Cc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N\c1cccc(C(F)(F)F)c1 101764171 VYJSQICIZLJLJQ-HWYHRHGKSA-N 386.417 5.767 30 40 GKEB O=[N+]([O-])c1ccc(/N=C(/Cl)C(Cl)(c2ccccc2)c2ccccc2)cc1 104251433 MHEVPAXFIPWKCZ-FCDQGJHFSA-N 385.250 6.046 30 40 GKEB CCCCCCCCCCCCCCCC/N=C/c1ccc(Cl)cc1Cl 104364169 DZKAWEOUCOQMJK-LHLOQNFPSA-N 398.462 8.894 30 40 GKEB CCCCCCCCCCCCCCCCCC(=O)NCCCN(CC)CC 104368468 KUIOQEAUQATWEY-UHFFFAOYSA-N 396.704 7.096 30 40 GKEB CC/N=C1\S/C(=C\c2cc3c(cc2C)N(CC)C(C)(C)C[C@@H]3C)C(=O)N1CC 208316950 BEIPOEGPTCWXCX-YLSUVZQESA-N 399.604 5.419 30 40 GKEB O=C(COc1ccc(/C=N\c2ccccc2F)cc1)Nc1ccccc1Cl 408802516 FSHLYCOVINUYMI-CFRMEGHHSA-N 382.822 5.247 30 40 GKEB COc1ccc(/N=C\c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)cc1 409120276 VGPDJJHVQLTREH-XKZIYDEJSA-N 398.871 6.159 30 40 GKEB Fc1cccc(COc2cccc(/C=N\c3ccc(Oc4ccccc4)cc3)c2)c1 409203528 YPAGKSQUZYFGLL-VEILYXNESA-N 397.449 6.948 30 40 GKEB O=[N+]([O-])c1ccc(Oc2ccc(/C=N/c3ccccc3)cc2Cl)c([N+](=O)[O-])c1 409215167 XTZRSMXFRBAVRQ-CIAFOILYSA-N 397.774 5.699 30 40 GKEB C(=N\c1ccc(Oc2ccccc2)cc1)\c1cccc(OCc2ccccc2)c1 409217449 VEBZUVMGGUJVAV-DIBXZPPDSA-N 379.459 6.809 30 40 GKEB C=CCN(C(=O)c1ccc(C(=O)N(CC=C)c2ccccc2)cc1)c1ccccc1 992531 IFBKCNHLHZUFJA-UHFFFAOYSA-N 396.490 5.352 30 40 GKEB Cc1ccc(C(=O)O/N=C/c2c(-c3ccccc3)nc3ccc(Cl)cn23)cc1 1402738 BMRAHZAPNVGROY-ZMOGYAJESA-N 389.842 5.154 30 40 GKEB C=C[C@H]1CN2CC[C@@H]1C[C@@H]2[C@H](OC(=O)c1ccccc1)c1ccnc2ccccc12 3998738 XOEFQGQIXMPRIN-GWSAJCRFSA-N 398.506 5.029 30 40 GKEB biogenic,in-vitro O=C1/C(=C\c2ccccc2)S/C(=N\Cc2ccccc2)N1Cc1ccccc1 5773051 NZYZIAWPURSRKR-FTJNEJEMSA-N 384.504 5.359 30 40 GKEB N#Cc1ccc(-c2ccc(OC(=O)C(c3ccccc3)c3ccccc3)cc2)cc1 6372310 QPLKBJKTXCWGGU-UHFFFAOYSA-N 389.454 5.963 30 40 GKEB CCN(CC)c1ccc(/N=C/c2cc(C)n(NC(=O)c3ccccc3)c2C)cc1 6630020 BNTBBPDCQBHAJP-KOEQRZSOSA-N 388.515 5.086 30 40 GKEB Cn1c(N/N=C/c2ccccc2OCc2cccc(Cl)c2)nc2ccccc21 7343310 KHIXHTUMVSNDKY-ZVHZXABRSA-N 390.874 5.252 30 40 GKEB N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCCc1ccccc1 9422799 YAGDJHWBNKDHJO-UHFFFAOYSA-N 390.455 6.035 30 40 GKEB C=C(Br)Cn1c(COc2ccc(C(C)(C)C)cc2)nc2ccccc21 13030794 HOXNZRRQUTTWSB-UHFFFAOYSA-N 399.332 5.821 30 40 GKEB C[C@H]1CCN(C(=O)c2ccc(C#N)cc2)c2cc(C(F)(F)F)ccc2S1 59005450 WDPXBEWRVADARS-LBPRGKRZSA-N 376.403 5.108 30 40 GKEB O=C(/C=C/c1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccc(O)cc1 60421381 IYQQAOFXCHNQBX-JXMROGBWSA-N 375.371 5.431 30 40 GKEB Cc1cc(/C=C/C(=O)c2ccccc2)c(C)n1-c1ccccc1Br 408617999 BQDIFPPKQWWLOQ-OUKQBFOZSA-N 380.285 5.753 30 40 GKEB O=[N+]([O-])c1cc(/C=N\c2ccc(O)cc2)ccc1Sc1ccc(Cl)cc1 409116674 JWOCHGCRJGZXLO-MTJSOVHGSA-N 384.844 5.856 30 40 GKEB N#Cc1ccc(-c2csc([C@H](C#N)C(=O)C[C@]34CCCC[C@H]3C4(F)F)n2)cc1 585094032 YEWZIIFKKKRKNB-XFQXTVEOSA-N 397.450 5.074 30 40 GKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C/c3cccs3)c2C#N)C1 672666 JZHARFAGUZBPOZ-PLWJUESGSA-N 384.570 5.874 30 40 GKEB CC(C)c1ccc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)cc1 870003 ZEJIQAJFGGTIPK-AREMUKBSSA-N 396.534 6.668 30 40 GKEB C=C(C)Cn1c(SCCC)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 2230228 RATDIGYLDHZURB-UHFFFAOYSA-N 380.557 5.356 30 40 GKEB biogenic FC(F)(F)c1cnc(/C(=N/Nc2ccccc2)c2cccnc2)c(Cl)c1 4059896 AHXBLDSMVSERDD-WGOQTCKBSA-N 376.769 5.013 30 40 GKEB O=C1/C(=N\Nc2ccc3ccccc3c2)C(c2ccccc2)=NN1c1ccccc1 4578377 JUYLOHLGNDISFM-PNHLSOANSA-N 390.446 5.059 30 40 GKEB COc1ccc(/C=N/Nc2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1 4595635 BXZMPJCJMSPKFH-KOEQRZSOSA-N 380.451 5.265 30 40 GKEB COc1ccccc1/C=C1\S/C(=N/c2ccc(Br)cc2)N=C1O 6848924 IPAHYIFOKCTGIF-GDNBJRDFSA-N 389.274 5.190 30 40 GKEB C[C@H]1CCc2c(sc(NC(=O)c3sccc3-c3ccccc3)c2C#N)C1 6881984 JWYQQYPNVNWQHB-ZDUSSCGKSA-N 378.522 5.725 30 40 GKEB O=C1ON=C(c2ccc(Cl)cc2Cl)/C1=C/c1ccccc1Br 12375275 IVOTZXTYYCBNMA-GHXNOFRVSA-N 397.055 5.100 30 40 GKEB CC(C)c1ccc(/C=N\N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 13940998 JBNAJBGCXOCMFR-USHMODERSA-N 395.550 5.532 30 40 GKEB Oc1ccccc1/C=N\N=C(\C=C/c1ccccc1Cl)c1ccc(F)cc1 16922742 PQAZVBGWMZXENT-VXBGRJTNSA-N 378.834 5.721 30 40 GKEB CCCCCCCn1c([C@@H]2CC(=O)N(c3ccc(C)cc3)C2)nc2ccccc21 50860603 LWUZRMFGGANPSV-HXUWFJFHSA-N 389.543 5.836 30 40 GKEB CC1(C)C[C@@](C)(c2ccccc2)c2cccc3c2N1C(=O)/C3=N/Nc1ccccc1 100117945 BLBMZKLWBHYTBG-NSUNUEHASA-N 395.506 5.338 30 40 GKEB CCCCCCCc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1 100965352 KHWLABJIODAAHC-UHFFFAOYSA-N 377.572 6.294 30 40 GKEB CC/N=C1/S/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1CC 101538516 UDOREUNXLSZNTF-IZSQXYTLSA-N 389.524 5.002 30 40 GKEB CCCCCCCOc1ccc(C2=NOC(=O)/C2=C\C=C\c2ccccc2)cc1 101662569 GLHMWIGUGCHSEY-RBDDCPLMSA-N 389.495 5.937 30 40 GKEB CCCCCCCCNCc1cc(Cl)c(OCc2cccs2)c(OC)c1 105345725 UNZQGDZDYZRPIS-UHFFFAOYSA-N 395.996 6.439 30 40 GKEB O=C(/C=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccccc1 408619819 HXQMVZFCSMUOKB-XYOKQWHBSA-N 390.351 5.191 30 40 GKEB Cc1cc(/C=C/C(=O)c2ccccc2)c(C)n1-c1ccc(Cl)c([N+](=O)[O-])c1 408624643 VIXPUDBAXBDARU-DHZHZOJOSA-N 380.831 5.552 30 40 GKEB Cc1ccc(N=C2NC(=O)/C(=C\c3cccn3-c3ccc(C)c(C)c3)S2)cc1 408963339 NFVNLYSMBVYKJE-KGENOOAVSA-N 387.508 5.294 30 40 GKEB C/C(=N\Nc1nc(-c2ccccc2)cs1)c1cccc(C2CCCCC2)c1 408963399 BFPHDKWCEMZQML-KOEQRZSOSA-N 375.541 6.694 30 40 GKEB Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(F)cc2)cc1 1076891 ZTFPMUGGAUJJRF-NIYFSFCBSA-N 398.481 6.114 30 40 GKEB O=C(c1c(F)c(F)c(Sc2nc3ccccc3o2)c(F)c1F)C(F)(F)F 2208084 PYYJKIXITMSJLR-UHFFFAOYSA-N 395.255 5.280 30 40 GKEB O=C1C(O)=C(CCCc2ccc(C3CCCCCC3)cc2)C(=O)c2ccccc21 4878614 SJBNYMMNOQQJBT-UHFFFAOYSA-N 388.507 6.338 30 40 GKEB COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1c(Cl)cccc1Cl 5248517 IFUKIGXRDYHSPU-AATRIKPKSA-N 376.066 6.205 30 40 GKEB O=C(Oc1ccc(/C=N/Nc2nc(-c3ccccc3)cs2)cc1)c1ccccc1 5446404 BSISLRMBJPYBBF-BUVRLJJBSA-N 399.475 5.475 30 40 GKEB Cc1cc2nc(-c3cc(/N=C/c4cc(Cl)ccc4O)ccc3O)oc2cc1C 5541730 LEVXBCOMVDXXFH-BHGWPJFGSA-N 392.842 5.927 30 40 GKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc(-c4ccccc4)o3)c2C#N)C1 6323042 LNAZMHFANGKZOO-CIRUFVMISA-N 388.536 6.781 30 40 GKEB O=C1N/C(=N/c2ccc(O)cc2)S/C1=C/c1ccc(-c2ccccc2Cl)o1 8435871 GCSRDBXXXYETBO-WOJGMQOQSA-N 396.855 5.197 30 40 GKEB CCOc1c(Cl)cc(/C=N/NCc2c(Cl)cccc2Cl)cc1OC 9197142 QZKAYWSZDUBSML-ZVBGSRNCSA-N 387.694 5.178 30 40 GKEB Cc1cc(/C=N\NC(=S)Nc2ccccc2)c(C)n1-c1cccc(Cl)c1 212153561 WWYOVBCIVPXSNM-XKZIYDEJSA-N 382.920 5.068 30 40 GKEB CCOc1cc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)ccc1OC 408737105 IYONMYYLECAXIX-NLRVBDNBSA-N 397.478 5.697 30 40 GKEB C=CCc1cc(/C=N/c2ccc([C@H](C)CC)cc2)cc(OC)c1OCC(=O)O 408854524 HIEAZMZKRPHJPV-HUSFYUSLSA-N 381.472 5.151 30 40 GKEB CCOc1ccc(/C=N/c2ccc(CC)cc2)cc1I 408905195 UZTJLZFWVRNQMG-XDHOZWIPSA-N 379.241 5.003 30 40 GKEB CCN1C(=O)/C(=C\c2ccc(OC)c(C)c2)S/C1=N\c1c(C)cccc1C 408915362 ZWDNYJWCZXJDEC-NMSSZPRHSA-N 380.513 5.244 30 40 GKEB Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc(OCc2ccc(F)cc2)cc1 675031083 KFGOWKFMECGMKK-BHGWPJFGSA-N 390.241 6.168 30 40 GKEB O=C1/C(=C/c2ccc(Cl)cc2Cl)CC/C1=C\c1ccc(Cl)cc1Cl 4482196 IXJAKPMSFCFUDZ-FNCQTZNRSA-N 398.116 7.130 30 40 GKEB O=C1N/C(=N/c2ccc(Cl)c(Cl)c2)S/C1=C/c1c[nH]c2ccccc12 5376629 TZSGOLIPOVIGPX-FRKPEAEDSA-N 388.279 5.366 30 40 GKEB Cc1cc(C)nc(N/N=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)n1 5570700 ZGGXACZHUMZNHT-NLRVBDNBSA-N 393.494 6.009 30 40 GKEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(Cl)cc3Cl)S2)cc1C 8412807 PTUSSFZBGVWYNP-PXNMLYILSA-N 377.296 5.502 30 40 GKEB Cc1ccc(COc2ccc(/C=N/NCc3c(Cl)cccc3Cl)cc2)cc1 9195148 JPTZPSGDYGMJGB-DHRITJCHSA-N 399.321 6.005 30 40 GKEB O/C(CCN(Cc1cccs1)C[C@@H]1CCCO1)=N\c1cccc2ccccc12 28887755 RLZNTLMRNBDOMS-IBGZPJMESA-N 394.540 5.561 30 40 GKEB C=C1CC[C@@H](O)C/C1=C\C=C1/CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C 32911479 MECHNRXZTMCUDQ-CHJFQEPCSA-N 396.659 7.641 30 40 GKEB C/C(=N\Nc1nc(C)nc2sc(-c3ccccc3)cc12)c1cccc(F)c1 33045709 ZGSKGHFFSYVCBL-DHRITJCHSA-N 376.460 5.642 30 40 GKEB C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1ccc(F)c(F)c1 36333336 BHMPPGABHNXMRI-AWEZNQCLSA-N 394.446 5.479 30 40 GKEB Cc1ccc(-n2nc(-c3ccccc3)cc2/N=C/c2ccc3c(c2)OCO3)cc1 59488282 DIORQPQNXSBCIM-MFKUBSTISA-N 381.435 5.327 30 40 GKEB CCCCCCCCCOc1ccc(/N=C/c2ccc(C(=O)O)cc2)c(C)c1 59663959 XQKLPNXWFCQGEO-XIEYBQDHSA-N 381.516 6.573 30 40 GKEB CCCCCCCCCCNC(=O)CC(=O)NCCCCCCCCCC 59664087 IKKAHGBEBSQWLC-UHFFFAOYSA-N 382.633 5.890 30 40 GKEB CCCCCCCCCCCC(=O)Oc1ccc(OCc2ccccc2)cc1 100302600 REQBVNBXTOTEPU-UHFFFAOYSA-N 382.544 7.092 30 40 GKEB CCCCCCCNCc1cccc(OC)c1OCc1ccc(Cl)cc1 102568325 MPNNSLBVDHIKNU-UHFFFAOYSA-N 375.940 5.988 30 40 GKEB CCc1ccc2oc(-c3cc(/N=C/c4ccc(Cl)cc4)ccc3O)nc2c1 102868329 QFTPAFMPMVOUFJ-ZMOGYAJESA-N 376.843 6.167 30 40 GKEB CCCCCCCCCCCCCCCC/N=C\c1ccc(Cl)c(Cl)c1 104364174 FZGLRFAINISFGU-QOMWVZHYSA-N 398.462 8.894 30 40 GKEB Cc1cc(/C=C2\S/C(=N/c3cccc(Cl)c3Cl)NC2=O)cc(C)c1O 106005624 AOWCVDXRROSXNQ-ZSOIEALJSA-N 393.295 5.207 30 40 GKEB CC(=O)[C@]12CCCC[C@H]1C[C@H]1[C@@H]3C[C@@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 118917727 OAICPORQJIVREU-HUXDBIBJSA-N 382.588 6.140 30 40 GKEB O=[N+]([O-])c1cccc(CO/N=C\c2ccccc2Sc2ccc(Cl)cc2)c1 408591189 IYLKUOBFNPELDI-XKZIYDEJSA-N 398.871 5.950 30 40 GKEB Cc1c(Cl)cccc1/N=C/c1cc(Br)c(Br)o1 408955646 XZWGKWPVGKPZNR-OMCISZLKSA-N 377.463 5.517 30 40 GKEB C=CCOc1ccc(/C=C2\SC(=S)N(c3cccc(C)c3C)C2=O)cc1 1830522 FPBBZTAUYQRUEW-UYRXBGFRSA-N 381.522 5.274 30 40 GKEB C(#Cc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1)c1ccccc1 2055697 GJBRENOBLVCWNH-UHFFFAOYSA-N 396.493 6.811 30 40 GKEB Cc1ccccc1-c1nc2cc(/N=C/c3c(O)cc(C)c(Cl)c3C)ccc2o1 3113667 FEMSWWDMAOOFGO-BRJLIKDPSA-N 390.870 6.530 30 40 GKEB C/C(=N/OCc1c(F)cccc1Cl)c1cccc(N2Cc3ccccc3C2)c1 4051088 MTYFOKXFRPFSAN-QQXSKIMKSA-N 394.877 5.940 30 40 GKEB C=CCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1 4184237 XIOHHPKZKILMLK-UKILVPOCSA-N 382.463 5.494 30 40 GKEB Clc1cc(N/N=C/c2ccc(Br)cc2)nc(-c2ccccc2)n1 4713149 XGLTWLJUWJHLMI-RGVLZGJSSA-N 387.668 5.006 30 40 GKEB CC(C)(C)c1cc(/C=C(/N=C/c2ccccc2)C(=O)O)cc(C(C)(C)C)c1O 5379814 ZIRBMEDBOBICRL-PZMJATQJSA-N 379.500 5.532 30 40 GKEB Cc1ccc(N/C(=N\S(=O)(=O)c2ccc(C)cc2)c2ccc(Cl)cc2)cc1 12378350 FWVUOSOTOJNSKE-UHFFFAOYSA-N 398.915 5.204 30 40 GKEB Cc1cc(C)c(NC(=NC2CCCCC2)Nc2c(C)cc(C)cc2C)c(C)c1 32690964 YIPDSLFMROWZEI-UHFFFAOYSA-N 377.576 6.750 30 40 GKEB C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\c1ccc(F)cc1 33957380 XZWUGWAIVKGTRA-FEUOJKLQSA-N 390.502 5.863 30 40 GKEB CCCCCCCCCCCC(=O)c1cc(C)ccc1OC(=O)c1ccccc1 100932031 MQRQSYCUPYAYDA-UHFFFAOYSA-N 394.555 7.318 30 40 GKEB Cc1ccc(C(C)C)cc1COc1nn(Cc2ccccc2Cl)c(N)c1C#N 225839843 YSTBFUNSYNJCRI-UHFFFAOYSA-N 394.906 5.050 30 40 GKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSc3ccccc3)c2C#N)C1 408583186 SGNGQKGCZNEFGS-HNNXBMFYSA-N 398.597 5.892 30 40 GKEB CC[C@H](C)c1ccc(/N=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)cc1 408775949 KUCLLAZEMZZQQI-WTJYETQFSA-N 375.472 6.266 30 40 GKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(O[C@@H](C)CC)cc3)S2)cc1 408951173 HZCCQQGODYEQMH-AUQXIXNCSA-N 396.512 5.154 30 40 GKEB CCOC(=O)c1oc2ccc(/C=N/C3C4CC5CC(C4)CC3C5)c(Cl)c2c1C 653254 ALORYDXJCCIXSN-OPEKNORGSA-N 399.918 5.815 30 40 GKEB CN(C)c1ccc(-c2nc3cc(/N=C/c4cc(Cl)ccc4O)ccc3o2)cc1 705527 YZQYTWDVXHSQKB-ZMOGYAJESA-N 391.858 5.670 30 40 GKEB N#Cc1c(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)sc2c1CCCC2 1912601 XCRCQZABHCQVQY-SOFGYWHQSA-N 377.296 5.457 30 40 GKEB CC1(C)CC(=O)C2=C(C1)[C@@H](c1ccccc1Cl)Nc1ccc3ccccc3c12 3017149 XHILUWWOPIQFQX-XMMPIXPASA-N 387.910 6.803 30 40 GKEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1 3202647 BXJWAXXOIRYUKP-OAQYLSRUSA-N 381.516 5.024 30 40 GKEB N#CCCSc1nc2scc(-c3cccs3)c2c(=O)n1-c1ccccc1 3443294 XQWAHXYAQVNGPM-UHFFFAOYSA-N 395.534 5.181 30 40 GKEB O=C(/C=C/c1ccc(Cl)c(Cl)c1)c1ccccc1OCc1ccccc1 5279076 ABGDRYIAWNIEIO-ACCUITESSA-N 383.274 6.469 30 40 GKEB C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccc(SC)cc3)c12 8229808 OYTAFMXVRQBOFI-SDNWHVSQSA-N 387.508 5.401 30 40 GKEB Cc1ccc(COc2ccc(/C=N/Nc3nc(-c4ccccc4)cs3)cc2)cc1 11992145 MBAUYWONIITMJB-MFKUBSTISA-N 399.519 6.144 30 40 GKEB CC(=O)Nc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1Cl 14124724 CPXUSGRLILMRDY-UHFFFAOYSA-N 389.842 5.089 30 40 GKEB Cc1ccc2c(n1)sc1c(-c3ccc(Br)cc3)c(C#N)c(N)nc12 19798012 HUFGYAIQYQEZGY-UHFFFAOYSA-N 395.285 5.036 30 40 GKEB aggregator C/C(=N\N=c1\sc2ccccc2n1C)c1ccc(Cl)c(Cl)c1Cl 33695290 QURDNCBCLYLFAO-KTOXEOKQSA-N 384.719 5.525 30 40 GKEB Cc1ccc(N/C=C/C(=O)c2ccccc2OCc2ccc(Cl)cc2)cc1 100142927 JKASPXWUJFHTBG-CCEZHUSRSA-N 377.871 6.036 30 40 GKEB CC(C)CC[C@]1(CC/N=C/c2ccc(OC(C)C)cc2)CCO[C@H](C(C)C)C1 100759181 HLDDUVJWECTGLW-GENKBWFXSA-N 387.608 6.540 30 40 GKEB biogenic CCCCCCCNCc1cc(Br)ccc1OCc1ccccc1 102568257 BIAWKFXAIFDHLF-UHFFFAOYSA-N 390.365 6.088 30 40 GKEB Cc1sc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)c(C#N)c1C 408628873 FXTITYGGJQCXPO-CSKARUKUSA-N 382.872 5.802 30 40 GKEB C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccccc2)S/C1=N\c1ccccc1 408905818 FEYGPIKWSMHEKB-QMJKUAOYSA-N 384.504 6.052 30 40 GKEB Clc1ccc(/N=C\c2cc(Br)c(Br)o2)cc1Cl 408954163 ROJRLKGCWAFNAW-BNCCVWRVSA-N 397.881 5.862 30 40 GKEB O=C(COc1ccc(/C=N\c2ccc(F)cc2)cc1)Nc1ccccc1Cl 409001421 PRLOICWCDDNGAJ-CFRMEGHHSA-N 382.822 5.247 30 40 GKEB Cc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1ccc(F)cc1 409073829 IXJMVILXDVXGNC-KIBLKLHPSA-N 376.357 5.093 30 40 GKEB CCOc1cc2c(cc1/C=N\c1ccc(Oc3ccccc3C)cc1)OCO2 409097413 IJPKVHNZTBDJDT-OYKKKHCWSA-N 375.424 5.665 30 40 GKEB CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC 409379607 YKJRFTYAVGEFPH-JYQBEENSSA-N 397.258 5.838 30 40 GKEB O=[N+]([O-])c1cccc(/C=N/c2ccc3oc(-c4cccc(Cl)c4)nc3c2)c1O 3192834 MEDMEUCQGCBPMI-SSDVNMTOSA-N 393.786 5.513 30 40 GKEB CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 4081681 OWYXOXZSAKVGHJ-SOOJGLKHSA-N 396.659 7.619 30 40 GKEB biogenic O=C1/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)Sc2ccccc21 6645950 BDVOLRFKCXRYOC-ZDLGFXPLSA-N 383.812 5.838 30 40 GKEB CCc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)cc1 8084764 XRAFAYROPMAWLO-PCLIKHOPSA-N 388.467 5.026 30 40 GKEB Cc1ccc(COc2c(Cl)cc(/C=N/c3cc(C)ccc3C)cc2Cl)cc1 8372954 ZCHRJLOTRHLZJF-LGJNPRDNSA-N 398.333 7.248 30 40 GKEB N#Cc1ccc(-c2ccc(Cl)cc2)nc1SCC(=O)Nc1ccccc1 12250956 FVCVAMLZNDFGCD-UHFFFAOYSA-N 379.872 5.004 30 40 GKEB CCCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N(C)C2=O)cc1OCC 12628185 XHCBYQIYAVFTLT-BLFRMDKKSA-N 396.512 5.108 30 40 GKEB Cc1ccc(N2C(S)=N/C(=N\c3ccccc3C)[C@]23CCOC(C)(C)C3)cc1 18096917 MYMSTEVQCASSCP-HSZRJFAPSA-N 393.556 5.467 30 40 GKEB Cc1nn(C)cc1/C=N/N=C1\CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C 36613046 XKGJSFZJELCKIZ-OOXJTBNXSA-N 394.607 5.936 30 40 GKEB COc1ccccc1NC(=O)COc1ccc(/C=N\c2ccc(Cl)cc2)cc1 100295477 WGOWGBMAFWTKHS-OYKKKHCWSA-N 394.858 5.117 30 40 GKEB CCCCCCCCCCCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 100579772 YAZGRUDOBYKMRS-UHFFFAOYSA-N 392.996 7.323 30 40 GKEB Cc1ccc(Cl)cc1N/N=C1\C(=O)N(C2CSC2)c2ccc(C(C)C)cc21 223728584 WQPAWRJRCCWVMX-GFMRDNFCSA-N 399.947 5.050 30 40 GKEB O=[N+]([O-])c1ccc(N/N=C\c2ccc(OCc3c(F)cccc3Cl)cc2)cc1 408601666 LIABYYBYRSDHPH-FMCGGJTJSA-N 399.809 5.412 30 40 GKEB CCOC(=O)c1cc(-c2ccc(/C=C/C(=O)c3ccc(C)cc3)o2)ccc1Cl 408691479 ADGNXKNHJWGKRC-FMIVXFBMSA-N 394.854 5.981 30 40 GKEB Cc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 408691766 PIJYTAXVLUMDKV-AWNIVKPZSA-N 397.301 6.777 30 40 GKEB CCCN1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)S/C1=N\c1ccc(C)cc1 408912154 LHVSQWYFOQIQGG-DXWKDWEQSA-N 392.568 6.307 30 40 GKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(C(C)(C)C)cc3)C(=O)N2C(C)C)cc1 408915933 SBAZUUXMGAGNCM-DBSKITMISA-N 392.568 6.305 30 40 GKEB S=C(N/N=C\c1ccc(Sc2ccc(Cl)cc2)cc1)Nc1ccccc1 409097006 LFQLQDOYDIXUSM-HMAPJEAMSA-N 397.956 5.812 30 40 GKEB CCOC(=O)c1c(-c2ccc(C)cc2)csc1/N=C/c1cc(Cl)ccc1O 2285539 RQKTXLULUBRXLD-FOKLQQMPSA-N 399.899 6.010 30 40 GKEB O=C1[C@H](Cc2ccccc2Cl)S/C(=N\c2ccccc2)N1c1ccccc1 2671081 PHGIKHHCUBXEOS-HNWIBAKRSA-N 392.911 5.719 30 40 GKEB Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/c2ccc(C)cc2C)cc1 3112621 FYJMDQRTXLTLKV-OGLMXYFKSA-N 393.486 6.735 30 40 GKEB COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1 4181726 DBKKKIRVRISFJD-WXJZPCGISA-N 394.518 6.581 30 40 GKEB O=C(O)c1ccc(N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc1 4603676 SHBGCVFTFJWSEJ-YDZHTSKRSA-N 380.831 5.063 30 40 GKEB CCC[C@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(O)C#Cc1ccccc1 4836804 LIEJILKXNSLXJY-YVHASNINSA-N 395.546 5.661 30 40 GKEB CCCC[C@@H]1S/C(=N/N=C/c2ccc(Cl)cc2)N(Cc2ccccc2)C1=O 4910641 ZUHJQWILXLUPQH-RDSDJNLHSA-N 399.947 5.364 30 40 GKEB CC[C@]1(C#N)N=C(c2ccccc2)c2ccccc2N1C(=O)Oc1ccccc1 5766567 WLOSOUFXXKTZQT-DEOSSOPVSA-N 381.435 5.173 30 40 GKEB C=CCOc1ccc(/C=C/C(=O)N(Cc2ccco2)Cc2cccs2)cc1 14202429 BPMJDLJGYDOFFP-FMIVXFBMSA-N 379.481 5.148 30 40 GKEB Brc1ccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 20242139 ANAXAKDZKOQMGN-MFKUBSTISA-N 394.356 6.668 30 40 GKEB CCN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OC 21722453 HZYHHNHWMRSWLX-HSZRJFAPSA-N 376.500 5.332 30 40 GKEB CCCCCCCC1=NN2C(=N)/C(=C/c3c[nH]c4ccccc34)C(=O)N=C2S1 100112915 LLPDYUAFQLUIRO-PALNNIJKSA-N 393.516 5.148 30 40 GKEB CC[C@@H](C)c1ccc(O)c(/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)c1 100507075 OGKHBQUHYBMLRK-XTTRTJGBSA-N 393.237 5.033 30 40 GKEB O=C1C=C(NCc2ccc(Cl)c(Cl)c2)C[C@H](c2ccc(Cl)cc2)C1 101487484 XFPJCVKCTBMWDM-AWEZNQCLSA-N 380.702 5.767 30 40 GKEB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H]5O[C@@H]5CC[C@]4(C)[C@H]3CC[C@@]21C 119163147 FVUXRLSHCHFWTB-PFXUIZMDSA-N 386.664 7.485 30 40 GKEB C=CCSc1ccccc1C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 219817970 MWKIVUNVQSKHJJ-GOSISDBHSA-N 383.513 5.006 30 40 GKEB CC1(C)COc2ccc(C(=O)/C=C/c3c(Cl)cccc3Cl)cc2OC1 225371730 YTIGJVHIRCFZEW-BQYQJAHWSA-N 377.267 5.687 30 40 GKEB CCCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cc1C#N 225760194 QWTDSWHQERGOMB-UHFFFAOYSA-N 390.527 5.886 30 40 GKEB COc1cc(/C=N/OCc2ccccc2C#N)ccc1OCc1cccc(C)c1 408596025 YSXPPSBFQYXCMB-CVKSISIWSA-N 386.451 5.005 30 40 GKEB Clc1ccc(/N=C\c2cccn2-c2ccc(Br)cc2)c(Cl)c1 408853902 ZKEDNPPETCQRDL-NHDPSOOVSA-N 394.099 6.297 30 40 GKEB CCOc1c(Cl)cc(/C=N\Nc2ccc(C(F)(F)F)cc2)cc1Cl 408932547 XHRBOUFUHWVVTL-AFPJDJCSSA-N 377.193 5.857 30 40 GKEB CC(C)CN1C(=O)/C(=C/C=C/c2ccccc2)S/C1=N/c1ccc(Cl)cc1 409090863 QUTZKXPNRKWDQF-VYDJTNBWSA-N 396.943 6.156 30 40 GKEB Cc1ccc(S(=O)(=O)OC[C@@H](C)C(c2ccccc2)c2ccccc2)cc1 1709833 LYUGCORFWQNNOB-LJQANCHMSA-N 380.509 5.169 30 40 GKEB Oc1ccc(/C=N/c2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)c(O)c1 3115360 YCNPALUXBIGOJC-AUEPDCJTSA-N 399.233 5.963 30 40 GKEB C=CCn1c(SCc2ccc(C#N)cc2)nnc1-c1ccc(C(C)(C)C)cc1 3323472 WUJDZBXJPITBCT-UHFFFAOYSA-N 388.540 5.593 30 40 GKEB COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@]2(C)C(=O)/C(=C/c3ccccc3)CC[C@@H]12 4533311 CZUYRYFVJAOCAN-MGLYGUDESA-N 386.535 6.204 30 40 GKEB CCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1 4663273 SFQFBJZKEKZFRQ-HSZRJFAPSA-N 394.902 5.647 30 40 GKEB C=CCn1c(SCc2ccccc2F)nnc1-c1ccc(C(C)(C)C)cc1 5477801 FIBIJBWMEHUCRJ-UHFFFAOYSA-N 381.520 5.860 30 40 GKEB Cc1ccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2C(=O)c2ccccc2)cc1 6047718 OCBLKBFNFPDHHW-WUKNDPDISA-N 392.458 5.308 30 40 GKEB N#C[C@@H](c1ccccc1)c1ccc(NC(=S)Nc2ccccc2)cc1Cl 6616177 JHXIQLBLSYOAPP-IBGZPJMESA-N 377.900 5.804 30 40 GKEB O=C1/C(=C/c2cccnc2)Oc2cc(OCc3ccc(Cl)cc3Cl)ccc21 13228246 MTXQNQWLZWVEJU-ZBKNUEDVSA-N 398.245 5.584 30 40 GKEB C[C@@H](NC(=O)c1ccccc1-c1ccccc1C#N)c1cccc(C(F)(F)F)c1 14632796 VCXWQJIPHDASSM-OAHLLOKOSA-N 394.396 5.735 30 40 GKEB O=C(NCc1ccccc1)c1c(/N=C\c2cccc(O)c2)sc2c1CCCC2 17821289 KHGXOIFEMDHVGO-MYYYXRDXSA-N 390.508 5.013 30 40 GKEB C=CCn1c(-c2ccccc2)c(NC(=O)CC)s/c1=N\c1cccc(Cl)c1 27015983 ZAUPLBZYRDLLKZ-LNVKXUELSA-N 397.931 5.637 30 40 GKEB C=C(C)Cn1c(SCCCCCCC)nc2sc3c(c2c1=O)CCCC3 97949626 GWSNXHSUUGMBOX-UHFFFAOYSA-N 390.618 5.975 30 40 GKEB CCCCCCCC[Sn](F)(F)CCCCCCCC 195783112 DWYJZMDSUZVVBU-UHFFFAOYSA-L 383.155 7.089 30 40 GKEB Cc1cc2c(cc1/C=N/Nc1ncccc1[N+](=O)[O-])[C@@H](C)CC(C)(C)N2C(C)C 223587204 UZCWIOQLDKRBNB-CBFMJHRQSA-N 395.507 5.245 30 40 GKEB Cc1ccccc1N=C1NC(=O)/C(=C/c2cc(C)n(C3CCCC3)c2C)S1 408768010 RWDYALAVYVDRPV-MOSHPQCFSA-N 379.529 5.420 30 40 GKEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)nc1 409105901 PDKAXDAJIHJPST-SRZZPIQSSA-N 384.848 5.240 30 40 GKEB Cc1ccc(Sc2ccc(/C=N/c3ccc(Br)cc3)cc2)cc1 409238539 DVJWCFLGEDDFAB-HYARGMPZSA-N 382.326 6.659 30 40 GKEB CC1(C)C[C@H]2C[C@](C)(CN2CC#CCC(O)(c2ccccc2)c2ccccc2)C1 2272225 PBANIAXWFLATDN-AHWVRZQESA-N 387.567 5.217 30 40 GKEB C[C@@H]1CCc2c(sc(NC(=O)c3sc4ccccc4c3Cl)c2C#N)C1 4142035 CACJRWSEIGZIOI-SNVBAGLBSA-N 386.929 5.865 30 40 GKEB C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\c1cccc(F)c1 4651569 UJLUQXYREFDZQR-INCSKIAMSA-N 390.502 5.863 30 40 GKEB CCOc1cc(/C=C(\C(=O)c2ccc(C)cc2)c2nc3ccccc3o2)ccc1O 4859470 TXYSCNYDYNITQA-XMHGGMMESA-N 399.446 5.664 30 40 GKEB COc1ccc2sc(N(Cc3ccccc3)C(=O)c3ccc(C#N)cc3)nc2c1 5299696 PSTSFCVQKVZRBA-UHFFFAOYSA-N 399.475 5.024 30 40 GKEB C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)[C@@H](CC)c1ccccc1 5484246 GWXNVIAESRWXJF-IBGZPJMESA-N 395.890 5.098 30 40 GKEB CC(C)Oc1ccc(C(=O)/C(=C/C=C/c2ccco2)c2nc3ccccc3o2)cc1 13654800 SASMSTAYJZOMLJ-PHFAQUBZSA-N 399.446 6.188 30 40 GKEB CCc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(Cl)cc3Cl)S2)cc1 16161389 JNSOOBRXHPDLBA-SXGWCWSVSA-N 377.296 5.447 30 40 GKEB Clc1ccc(/C=N/CCC/N=C/c2ccc(Cl)c(Cl)c2)cc1Cl 18176358 GPEJZVNHKMUIGF-CZGKVYIXSA-N 388.125 6.228 30 40 GKEB Fc1ccc(C#Cc2c(F)c(F)c(C#Cc3ccc(F)cc3)c(F)c2F)cc1 49950984 LRPBGSKOAGXZLE-UHFFFAOYSA-N 386.294 5.321 30 40 GKEB CCCCCCCCOC(=O)c1c(N)n([C@H](C)CC)c2nc3ccccc3nc12 97998520 FFRZEFYWIIISFV-MRXNPFEDSA-N 396.535 5.655 30 40 GKEB Cc1ccccc1-c1nc2ccc(/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)cc2o1 98086900 WZIDQZOGEXFXRW-FSJBWODESA-N 391.814 6.115 30 40 GKEB CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(Cl)cn1 100285369 FUIWPMMLSBOMSS-UHFFFAOYSA-N 395.031 7.935 30 40 GKEB Cc1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c(C)n1C 408772250 NEJNZESUXLRDBC-YACCPEJUSA-N 387.508 5.451 30 40 GKEB O=C(COc1ccc(/C=N\c2cccc(Cl)c2)cc1)Nc1ccc(F)cc1 408806432 DWNFHAAYRWYBPI-CFRMEGHHSA-N 382.822 5.247 30 40 GKEB CCn1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)c2ccccc21 408915609 QFXOBRWVMAJYOH-DYEBMTOPSA-N 375.497 5.203 30 40 GKEB O=C(C/C=N/OCc1ccc(Cl)cc1Cl)c1ccc(Cl)c(Cl)c1 5248678 CODJAOSOGBUUOM-AERZKKPOSA-N 391.081 6.076 30 40 GKEB O=C(NCc1ccccc1)c1c(/N=C\c2cccs2)sc2c1CCCC2 15188676 UYZDDWHZKHALQO-UCQKPKSFSA-N 380.538 5.369 30 40 GKEB O=C(/C=C\c1ccc(OCc2ccccc2)cc1)c1cccc(Br)c1 17124079 XHCZBACAIYODFH-KAMYIIQDSA-N 393.280 5.924 30 40 GKEB COc1ccc(/C=C(/C(=O)c2ccc(OC)cc2)c2nc3ccccc3o2)cc1 32709497 VLRNRDXNRYGGRY-HKWRFOASSA-N 385.419 5.269 30 40 GKEB CCCCCCCCOC(=O)c1cccc(C(=O)OCCCCCCCC)c1 79375401 LERGDXJITDVDBZ-UHFFFAOYSA-N 390.564 6.721 30 40 GKEB O=C1/C(=C\c2ccc(Cl)c(Cl)c2)[C@H](c2ccccc2)Oc2ccccc21 96766958 DONKFICKODECEJ-PFSBYRDKSA-N 381.258 6.393 30 40 GKEB CCCCCCCCCCCCNC(=S)N/N=C/C(C)=C\c1ccccc1 104386657 BWONBQIZMOWFQC-GRXPJKNZSA-N 387.637 6.461 30 40 GKEB CCCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1C#N 225680355 QKXUUVGOKDJNOF-UHFFFAOYSA-N 376.500 5.496 30 40 GKEB CC[C@H](C)N1C(=O)/C(=C\C=C\c2ccccc2)S/C1=N\c1ccc(C)cc1 408916351 WNZBISBEYNUOOQ-WOMVOQODSA-N 376.525 5.954 30 40 GKEB Cc1ccc(-c2nc(NN=C3CCCCC3)sc2-c2ccccc2)cc1C 408973285 AINXKRLRHZCEJO-UHFFFAOYSA-N 375.541 6.826 30 40 GKEB CCCCCCCOC(=O)c1c(N)n(CCCCC)c2nc3ccccc3nc12 2394122 NYSVMKWEHYJCKH-UHFFFAOYSA-N 396.535 5.484 30 40 GKEB O=C1/C(=C/c2ccccc2)CC[C@@]12C[C@H]1CCCC[C@]1(O)O[C@@H]2c1ccccc1 4023612 NKLXMIJMKFCEFM-UFXJWMMISA-N 388.507 5.460 30 40 GKEB CCCC(C)(C)[C@@H]1CC/C(=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](C)C1 6669915 ZFJMCICFPLOLLQ-DFNBJUKJSA-N 376.457 5.533 30 40 GKEB C=Cc1ccc(COc2ccc3c(c2)O/C(=C\c2cccc(OC)c2)C3=O)cc1 12861948 SXQYXXLEGJCHJK-OYKKKHCWSA-N 384.431 5.533 30 40 GKEB biogenic C[C@@H](/N=C(/S)Nc1ccccc1Cl)[C@@H](c1cccs1)N1CCCC1 13865538 NTBJIIGZSCRTDA-DYVFJYSZSA-N 379.982 5.325 30 40 GKEB COc1cc(-c2nc3cc(C)ccn3c2/N=C/c2sccc2C)ccc1O 27531944 DWUUYZVFPNMFLR-WSDLNYQXSA-N 377.469 5.144 30 40 GKEB C/C(=C\C(=O)c1ccc(Br)cc1)Nc1ccc(Cl)cc1Cl 32100511 MCQDJGOCBHGUFI-CSKARUKUSA-N 385.088 5.955 30 40 GKEB N#CCc1ccc(NC(=O)COc2ccccc2-c2nc3ccccc3s2)cc1 32810203 FTOQTISECIPJCD-UHFFFAOYSA-N 399.475 5.047 30 40 GKEB Cc1cccc2cc(C#N)c(SCC(=O)Nc3ccc(C(C)C)cc3)nc12 35316022 HVCHXAOAYVYIFS-UHFFFAOYSA-N 375.497 5.269 30 40 GKEB CCCCCCCC/C=C\CCCCCCCC(=O)OCCCCCCCC 80300587 QTDSLDJPJJBBLE-PFONDFGASA-N 394.684 8.928 30 40 GKEB in-vitro N#C[C@@H](C(=O)Cc1c(F)cccc1Cl)c1nc2cc(Cl)ccc2s1 97159067 DSKPYPPICDTKIN-NSHDSACASA-N 379.243 5.161 30 40 GKEB CC(C)c1ccc(/C=C2/S/C(=N/N=C3\C[C@H]4CC[C@@]3(C)C4(C)C)NC2=O)cc1 100799769 PFCOYQMSNQEBGY-RXGUPHECSA-N 395.572 5.572 30 40 GKEB O/N=C(C(=N/O)\c1cc(Cl)ccc1Cl)/c1cc(Cl)ccc1Cl 408730821 IWLRSDXPMUEWBK-AXPXABNXSA-N 378.042 5.357 30 40 GKEB N#Cc1c(-c2ccc(OCc3cccc(F)c3)cc2)c(-c2ccccc2)c[nH]c1=N 408980506 ROCBOWFOCLRDFR-UHFFFAOYSA-N 395.437 5.418 30 40 GKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4cccc(F)c4)o3)S2)cc1C 409015904 CIEKLQJXMBMQGP-NDENLUEZSA-N 392.455 5.594 30 40 GKEB Cc1cccc(/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)c1C 409208179 BQPRMTBBZVACKM-DHRITJCHSA-N 384.306 6.940 30 40 GKEB CCCCCC/C=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575330310 VRMZFXFVOGMABR-FPLPWBNLSA-N 380.241 6.617 30 40 GKEB Cc1cc(C)c2oc(-c3ccc(/N=C/c4cc(Cl)ccc4O)cc3)nc2c1 864721 DLWRMALMYZYIRC-WYMPLXKRSA-N 376.843 6.221 30 40 GKEB C=CCc1ccc(Oc2nc(-c3ccccc3O)nc3ccccc23)c(OC)c1 2423487 GRRBLXPJXBXNDF-UHFFFAOYSA-N 384.435 5.532 30 40 GKEB N#CCOc1ccc([C@@H]2Nc3c(F)cc(Br)cc3[C@H]3C=CC[C@H]32)cc1 4690320 YUZWDWMLNKUICX-FCEWJHQRSA-N 399.263 5.317 30 40 GKEB O=C1CCCC2=C1[C@H](c1ccc(Cl)c(Cl)c1)Sc1ccccc1N2 7449799 NFYDECGOKIQGMC-IBGZPJMESA-N 376.308 6.259 30 40 GKEB Cc1c(C#N)c(NC(=O)CSc2ccc(F)cc2F)n(C2CCCC2)c1C 14073363 WISFRNDBORHWGP-UHFFFAOYSA-N 389.471 5.101 30 40 GKEB Clc1ccc(-c2ccc(/C=N\Nc3nc4ccccc4s3)o2)c(Cl)c1 16545407 UFABFIHNEVKSRH-FBHDLOMBSA-N 388.279 6.309 30 40 GKEB Cc1ccc(C2=NOC(=O)/C2=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1 101453338 YNZJJCQYZCMGJK-HYARGMPZSA-N 387.410 5.058 30 40 GKEB CCCCCCCSc1nc2ccc(/N=C\c3ccccc3O)cc2s1 104213475 HNAXJCKXMHRJEX-JCMHNJIXSA-N 384.570 6.815 30 40 GKEB C[C@@H]1CN(C(=O)c2csc3c2CCCC3)/C(=N/c2ccc(Cl)cc2)S1 105070763 UORRYFRRFINENK-YXGOYXSWSA-N 390.961 5.546 30 40 GKEB C=CCOc1cccc(NC(=S)NCCCSCc2ccccc2C)c1 225601896 OMIQXLQCUQAJBQ-UHFFFAOYSA-N 386.586 5.170 30 40 GKEB CCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cc1C#N 225765706 YDASWMZOSWHLNU-UHFFFAOYSA-N 396.918 5.841 30 40 GKEB CCOc1cccc(/N=C/c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)c1 408743719 UONCLEMDALOSHI-BUVRLJJBSA-N 376.456 5.030 30 40 GKEB CCCCc1ccc(-n2c(C)cc(/C=N\Nc3ccc([N+](=O)[O-])cn3)c2C)cc1 408748490 AXLTWTFLFSGVQN-OYKKKHCWSA-N 391.475 5.186 30 40 GKEB O=[N+]([O-])c1ccc(Cl)c(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 409093710 BFOFJDBWCHJGKP-AFUMVMLFSA-N 394.902 6.467 30 40 GKEB Cc1ccc(/N=C\c2cccc(OS(=O)(=O)c3ccc(Cl)cc3)c2)cc1C 409202007 NOOWJBBWSRIGPQ-UCQKPKSFSA-N 399.899 5.475 30 40 GKEB Cc1ccc(C)c(/N=C\c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)c1 409376813 DCKLVBWUBSQYGQ-YSMPRRRNSA-N 386.495 5.688 30 40 GKEB O=C(Nc1ccccc1C(F)(F)F)C(F)(F)Oc1cccc(C(F)(F)F)c1 3117004 HJCJDRCZPKVGHM-UHFFFAOYSA-N 399.237 5.335 30 40 GKEB CCCCOC(=O)CCCCCCC/C=C/[C@@H]1C=C[C@@H](CCCC)C[C@@H]1C#N 4416943 WGKZWDKWFFLRAI-AIXDYYESSA-N 387.608 7.139 30 40 GKEB CCCCc1ccc(/N=C2/NC(=O)/C(=C\c3cccc4ccccc34)S2)cc1 5551496 CCPIUEXSNCIHDA-CJLVFECKSA-N 386.520 6.074 30 40 GKEB CCCOc1c(Br)cc(/C=N/c2ccccc2C)cc1OCC 6880647 NNKGJYSNXIAIFE-FYJGNVAPSA-N 376.294 5.696 30 40 GKEB CCOc1cc(/C=N/NCc2c(Cl)cccc2Cl)cc(Cl)c1OC 9197475 RVZLNGPIJYAMEZ-ZVBGSRNCSA-N 387.694 5.178 30 40 GKEB O=C1CCCC2=C1[C@H](c1ccc3cccnc3c1)c1c(ccc3ncccc13)N2 12375242 PYTJVPFCXCERPP-HSZRJFAPSA-N 377.447 5.348 30 40 GKEB CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@H]2c1cccc(Cl)c1)OCO3 18197448 PCLMXIXWBZJXGB-HXUWFJFHSA-N 381.859 5.269 30 40 GKEB CCCCN(C)Cc1c(O)cc(C)c2c1O/C(=C\c1cc3ccccc3o1)C2=O 20649450 OEDRSBTUTZUGKJ-BKUYFWCQSA-N 391.467 5.295 30 40 GKEB COc1ccc(-c2cnc(SCC#N)n2-c2cccc(C(F)(F)F)c2)cc1 44087714 LAAHVMKRABNYQZ-UHFFFAOYSA-N 389.402 5.182 30 40 GKEB Cc1ccc(-c2nc(/N=C/c3ccccc3[N+](=O)[O-])sc2-c2ccccc2)cc1 59463820 WWTUEPYKNUKOOI-BUVRLJJBSA-N 399.475 6.444 30 40 GKEB Cc1c(Cl)cccc1/N=C1/NC(=O)/C(=C/c2c(C)n(C)c3ccccc23)S1 59679062 BBZXRHIPRBZUCT-ODLFYWEKSA-N 395.915 5.340 30 40 GKEB O/N=C(/c1ccccc1)c1cc2cc(Br)cc(Br)c2o1 100330910 UXGYUCGKZIMRGV-JXAWBTAJSA-N 395.050 5.184 30 40 GKEB Oc1ccc(Cl)cc1/C=N/c1ccccc1/N=C/c1cc(Cl)ccc1O 104212209 CSIRXWCKACJTAW-ASIDMNOUSA-N 385.250 5.906 30 40 GKEB C=CCOc1cccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c1 214164253 HXIQFYGBEAPLCI-LDADJPATSA-N 385.872 5.141 30 40 GKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(C#N)cc3F)c2C#N)C1 408629079 LSZZCKQXPPSJGD-CYBMUJFWSA-N 381.476 5.034 30 40 GKEB O=C1/C(=C/c2cc(Cl)ccc2OCc2ccccc2F)Sc2ccccc21 408845813 RUVQZKUBIKZTHO-MTJSOVHGSA-N 396.870 6.388 30 40 GKEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)o1 408960672 NOZDMDJHNOWNSA-UFFVCSGVSA-N 384.775 5.265 30 40 GKEB O=[N+]([O-])c1cccc(-c2ccc(/C=N/c3ccc4c(c3)oc3ccccc34)o2)c1 3074933 KEKXLAQFWYSWEV-ZVHZXABRSA-N 382.375 6.505 30 40 GKEB CC(C)c1ccc(/C=C/C(=O)c2ccc(OC(=O)/C=C/c3ccccc3)cc2)cc1 4114051 ZWOITPSLJHNNDZ-XOBNHNQQSA-N 396.486 6.325 30 40 GKEB CC(C)C(=O)Nc1cccc(/N=C/c2cc(Cl)cc(Br)c2O)c1 5841280 PACSHJZSRNDUJV-AWQFTUOYSA-N 395.684 5.153 30 40 GKEB O=C(/C(=C\OCc1ccc(Cl)cc1)Cc1ccc(Cl)cc1)c1ccccc1 6829412 DUZBZQOGDHTSLK-SILNSSARSA-N 397.301 6.520 30 40 GKEB CCCCCCCCCCCCCCCCS(=O)(=O)c1ccc(N)cc1 6920407 CQZYNBUYMYMJFW-UHFFFAOYSA-N 381.626 6.524 30 40 GKEB Cc1ccc(OC(=O)c2ccccc2F)c(/C=C2\Sc3ccccc3C2=O)c1 13766045 RPLDRWHPMNPTFN-BKUYFWCQSA-N 390.435 5.683 30 40 GKEB N#Cc1ccccc1-c1ccc(CSc2nnc(C3CCCCC3)o2)cc1 14201014 AIEPVXPAFDDGHJ-UHFFFAOYSA-N 375.497 5.948 30 40 GKEB Cc1ccccc1/N=C1\N=C(S)N(c2ccccc2)[C@@]12CCOC(C)(C)C2 17194754 OAXUVCDCBSSZIU-JOCHJYFZSA-N 379.529 5.159 30 40 GKEB C=CCOc1ccc(C(=O)N(Cc2cccs2)c2ccc(Cl)cc2)cc1 20896855 OLIXCEKPXXTZEV-UHFFFAOYSA-N 383.900 5.813 30 40 GKEB CC/N=C(\c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1)N(CC)CC 22635449 PPLGHYHKVDPYBM-XUTLUUPISA-N 375.856 5.149 30 40 GKEB CCCCCCCCCCCCCCCCCCN/C=C1\SC(=O)NC1=O 98002695 BGMLJDNYDQWAKS-VXPUYCOJSA-N 396.641 6.662 30 40 GKEB CCCCCCCCCCCCCCCCc1c(O)nc(N)nc1C(=O)OC 104274650 LDSUYMPYWJKXSP-UHFFFAOYSA-N 393.572 5.575 30 40 GKEB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/Nc3ccc([N+](=O)[O-])cc3)cc21 208246620 PMELABXPCSSTQY-UMYHVIPVSA-N 386.883 5.416 30 40 GKEB C=CCOC(=O)/C=C/c1ccc(OCc2ccccc2C)c(Br)c1 226333079 AHFNXFFEGDTPFH-PKNBQFBNSA-N 387.273 5.079 30 40 GKEB N#Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(Cl)cc4)nc3c2)c(F)c1 408621990 OLQHRSKLKSASBX-UHFFFAOYSA-N 391.789 5.411 30 40 GKEB C=CCc1cc(CNc2ccccc2)cc(OC)c1OCc1ccc(Cl)cc1 409121459 VGFSSHPLKMFYHM-UHFFFAOYSA-N 393.914 6.268 30 40 GKEB Cc1ccc(/N=C/c2ccccc2OS(=O)(=O)c2ccc(Cl)cc2)cc1C 409214952 YUWIFJUNZRJUGM-OEAKJJBVSA-N 399.899 5.475 30 40 GKEB CCc1cccc(C)c1NC(=O)CSc1nc2cc(C)ccc2cc1C#N 898906 HMUIXQVFXITZMQ-UHFFFAOYSA-N 375.497 5.017 30 40 GKEB COc1ccc([C@@H](C2=C(O)CC(C)(C)CC2=O)c2c(C)[nH]c3ccccc23)cc1 956914 NZEIPPPVSWTQNG-HSZRJFAPSA-N 389.495 5.818 30 40 GKEB Cc1cc(C)c(OC2=C(c3c(C)cc(C)cc3C)C(=O)c3ccccc32)c(C)c1 1697972 OTVGTRCEDDBQPS-UHFFFAOYSA-N 382.503 6.681 30 40 GKEB O=C1C=CC2=N[C@]34CCCC[C@@H]3[C@@H](c3ccccc3)C=C(c3ccccc3)N4C2=C1 4024538 LHJUMCYFYYQTPP-NOTUOJBMSA-N 392.502 5.491 30 40 GKEB biogenic CCN(CC)c1ccc(/C=N/Nc2ncnc3sc4c(c23)CCCC4)c(C)c1 4314934 CMTPOYMJJBENKB-DHRITJCHSA-N 393.560 5.171 30 40 GKEB CCCC[C@H]1S/C(=N/N=C/c2ccc(C)cc2)N(Cc2ccc(F)cc2)C1=O 4898413 MZEUQPDYXQTRDH-AXMNZLFYSA-N 397.519 5.158 30 40 GKEB Cc1c(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cccc1[N+](=O)[O-] 6254643 HFDLAIIQAMPHJM-CYBMUJFWSA-N 397.500 5.240 30 40 GKEB Cc1ccc2nc(-c3ccc(/N=C/c4cc(Cl)ccc4O)cc3O)oc2c1 17206897 WHMQSYGWOXFOKF-FOKLQQMPSA-N 378.815 5.618 30 40 GKEB CN(C)/C=N/c1c(C#N)c(-c2ccccc2)c(-c2ccccc2)n1Cc1ccco1 17440288 VCWADNDZBILDKZ-OVVQPSECSA-N 394.478 5.556 30 40 GKEB CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1 30823031 LUHGCJFMGQWZRG-JOCHJYFZSA-N 380.513 5.301 30 40 GKEB CCCCCCCSc1cc(C(N)=S)cc(SCCCCCC)n1 68569543 GBZNOCPOBKDKES-UHFFFAOYSA-N 384.680 6.451 30 40 GKEB biogenic CCCCCCCCOc1ccc(/C=N/n2c(C)nc3ccccc3c2=O)cc1 100282585 ZKPJVYJNLNNGDR-XIEYBQDHSA-N 391.515 5.326 30 40 GKEB C=CCn1c(-c2ccc(Cl)cc2Cl)cs/c1=N/c1ccc(Cl)cc1 102962650 NLADNSXHNMYUPY-RELWKKBWSA-N 395.742 6.595 30 40 GKEB CCCOc1ccc(Cl)cc1/C=C1\SC(=Nc2ccc(C)cc2)NC1=O 408535118 XZFQWYKSMPQBEH-PDGQHHTCSA-N 386.904 5.329 30 40 GKEB CCN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2C)SC1=Nc1ccccc1 408960356 LDLXMLXXZLESGN-NXZXOXKRSA-N 391.540 5.219 30 40 GKEB Cc1cc(/C=N\c2cccc(Cl)c2Cl)c(C)n1-c1ccc(C(C)(C)C)cc1 408965473 HQJAQPKGACKOFG-WGARJPEWSA-N 399.365 7.449 30 40 GKEB COc1ccc2ccc(OC)c(/C=N/c3sc4c(c3C#N)CCCC4)c2c1 409064458 POCAFUHOWGIEIE-ZMOGYAJESA-N 376.481 5.420 30 40 GKEB CCOC(=O)c1sc(NC(=O)c2ccc(C)cc2)c(C#N)c1-c1ccccc1 409119342 TVBADGXETWEWQF-UHFFFAOYSA-N 390.464 5.024 30 40 GKEB Cc1ccc(/N=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1C 409211423 NPHFCJDQMNQGGG-LQKURTRISA-N 383.466 6.925 30 40 GKEB O=C1CCCC2=C1[C@H](c1cccc(Cl)c1Cl)c1c(ccc3ncccc13)N2 718252 NIHBAPUSELJTSH-HXUWFJFHSA-N 395.289 6.106 30 40 GKEB C/C(=N\Nc1cc(C(F)(F)F)ccc1Cl)c1cccc(Br)c1 4925484 KIGKUJZUJFNPDG-ZVBGSRNCSA-N 391.618 5.957 30 40 GKEB C=CCOc1ccccc1/C=C1\SC(=S)N(c2cc(C)ccc2C)C1=O 5371422 KFGLRNNWCPPXPY-UYRXBGFRSA-N 381.522 5.274 30 40 GKEB CC(C)c1ccc(/C=C2/S/C(=N/c3cccc(C(F)(F)F)c3)NC2=O)cc1 5764707 RFRPBYFPOSUYJH-LICLKQGHSA-N 390.430 5.720 30 40 GKEB O=C1/C(=C/C2=Cc3ccccc3OC2)Oc2cc(OCc3ccccc3)ccc21 6193144 LZNRPCZCGZQZHD-CFRMEGHHSA-N 382.415 5.201 30 40 GKEB biogenic C=CCOc1c(Br)cc(/C=N/c2cccc(Cl)c2C)cc1OC 8277733 FOKBMBKUCVSCTD-SRZZPIQSSA-N 394.696 5.735 30 40 GKEB Cc1ccccc1/N=C/c1ccc(OCc2ccc(Br)cc2)cc1 8570903 HJMBVGCEISGAGP-OEAKJJBVSA-N 380.285 6.087 30 40 GKEB Clc1cccc(Cl)c1/C=N\Nc1ncnc2sc3c(c12)CCCC3 13602715 STWZWWJJVVDBCK-UYOCIXKTSA-N 377.300 5.323 30 40 GKEB CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@@H]2c1cccc(Cl)c1)OCO3 18197446 PCLMXIXWBZJXGB-FQEVSTJZSA-N 381.859 5.269 30 40 GKEB O=C1N/C(=N/c2ccc(Cl)cc2)S/C1=C/c1ccc(-c2ccc(F)cc2)o1 18255125 PBIPOGWMPFXYTM-WOJGMQOQSA-N 398.846 5.631 30 40 GKEB CCN(CC)c1ccc(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)c(Cl)c1 55117121 QIHSWCKPEALCCG-KEBDBYFISA-N 382.247 5.204 30 40 GKEB C=CCc1cc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)ccc1OC 408702344 DIHFHYSNDZEIFU-UHFFFAOYSA-N 393.870 6.122 30 40 GKEB CC[C@H](C)N1C(=O)/C(=C\c2ccc(O)c(OC)c2)S/C1=N\c1ccc(C)cc1 408916043 UCHUDRCYKRSMJO-NPWQOOMGSA-N 396.512 5.112 30 40 GKEB CC[C@@H](C)c1ccc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)cc1 409121222 XIPPUGKDGRRDGV-VURRPDKYSA-N 377.238 5.327 30 40 GKEB C[C@H]1CCc2sc(NC(=O)c3ccccc3Oc3ccccc3)c(C#N)c2C1 4069989 MTGYTNWTPRGVJN-HNNXBMFYSA-N 388.492 5.789 30 40 GKEB CCCCCOc1ccc(C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 4194662 GLVGCOPSENIPGP-UHFFFAOYSA-N 382.529 5.710 30 40 GKEB CCC[C@@H]1S/C(=N/N=C/c2ccc(Cl)cc2)N(Cc2ccccc2C)C1=O 4973886 OHQOLFYVGAZDOH-VOSQQLOXSA-N 399.947 5.283 30 40 GKEB O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(/C=N/Nc2nc3ccccc3s2)o1 5705092 WLZDPJYMTBREJS-KEBDBYFISA-N 398.831 5.564 30 40 GKEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccco1)n1c(nc3ccccc31)N2 9110472 DJCDGSVNDVIMCJ-QMHKHESXSA-N 381.435 5.045 30 40 GKEB CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](CO)OC(C)=O 14953253 PWTCCMJTPHCGMS-NEQMZLFVSA-N 398.584 5.491 30 40 GKEB in-vitro O=[N+]([O-])c1ccc(N/N=C2\CCCC[C@@H]2C2CCCCCCC2)c([N+](=O)[O-])c1 16994642 SYOPKFDQKDNDNO-STIUTOJCSA-N 388.468 5.822 30 40 GKEB N#Cc1nc(-c2ccc(OCc3ccccc3)cc2)oc1NCCc1ccccc1 39404212 LOGDRMWXQNYOBP-UHFFFAOYSA-N 395.462 5.447 30 40 GKEB CCCOc1ccc(C(F)(F)F)cc1/N=C/c1cc(Cl)cc(Cl)c1O 59475451 OORKGRKTKSCWBO-NUGSKGIGSA-N 392.204 6.257 30 40 GKEB CCCCCCCCCCOc1ccc(NC(=O)NC[C@H]2CCCO2)cc1 98048837 LFLNYGRMNDVWJX-OAQYLSRUSA-N 376.541 5.507 30 40 GKEB CCCCCCCCCCCC(=O)NCCCCCCCCCCC(=O)O 100955044 GCMDENVFJBBGCQ-UHFFFAOYSA-N 383.617 6.619 30 40 GKEB CCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc4ncccc4c3)c2C)cc1 137648595 WRWVJWFOUSFAMV-JVWAILMASA-N 397.478 5.570 30 40 GKEB C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)SC1=S 408816111 IUHORSJVFZVAAR-UNOMPAQXSA-N 382.554 5.098 30 40 GKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc(OCC#N)cc3)c2C#N)C1 409085437 SFHRXAASMUEXRO-FRQJIFLKSA-N 377.513 5.424 30 40 GKEB Cc1ccc(COc2ccccc2/C=N/Nc2ccc(C(F)(F)F)cn2)cc1 409094059 CNPFZNAUUJUYMG-RPPGKUMJSA-N 385.389 5.434 30 40 GKEB Cc1ccc(-c2cc(C#N)c(NC(=O)c3ccc(Br)cc3)o2)cc1 948985 XTCQRCFOTOKLRV-UHFFFAOYSA-N 381.229 5.142 30 40 GKEB Cc1ccc2oc(-c3cc(/N=C/C=C/c4ccc5c(c4)OCO5)ccc3O)nc2c1 1879448 CAILHUTVOFSWJO-MGTGSMBQSA-N 398.418 5.653 30 40 GKEB CCOc1ccc(/C=C2\S/C(=N\c3cccc(Cl)c3C)NC2=O)cc1C 2104162 WIQUUXWEMMSTAY-WQRHYEAKSA-N 386.904 5.247 30 40 GKEB CC1(C)C[C@@H]2C[C@@](C)(CN2CC#CC[C@@](O)(c2ccccc2)C2CCCC2)C1 4844079 HTAKNOHRSLCONI-LGPLSSKUSA-N 379.588 5.359 30 40 GKEB Clc1ccc(/N=C(\Nc2ccc(Cl)cc2)c2cccc3ccccc23)cc1 5777329 IWLVBAOUNKQRNR-UHFFFAOYSA-N 391.301 7.337 30 40 GKEB CC1(C)CC(=O)C=C(NCCCCCCCCNC2=CC(=O)CC(C)(C)C2)C1 13144544 QZZPXOWMJWHPNN-UHFFFAOYSA-N 388.596 5.052 30 40 GKEB CCc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2ccc(F)cc2)cc1 33420988 BFFRJZNDJWIWGD-SAPNQHFASA-N 396.465 6.137 30 40 GKEB CC/C(=N/NC(=S)Nc1cccc(C)c1C)c1ccc(OC(F)F)cc1 33632359 XQXKRCDQAZTCNU-KQWNVCNZSA-N 377.460 5.006 30 40 GKEB Cc1cccc(OCc2ccc(-c3nc(C#N)c(N[C@H](C)c4ccccc4)o3)o2)c1 39404134 VKJBCPBXQOLCIY-QGZVFWFLSA-N 399.450 5.867 30 40 GKEB COc1ccc(C(=O)/C=C/Nc2ccc(OCc3ccccc3)cc2)cc1OC 44843582 XSKPNNFWHBTKKU-CCEZHUSRSA-N 389.451 5.091 30 40 GKEB CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2/C=C/c1ccccc1 59387310 WJMDJNXTYZMWMF-ZHACJKMWSA-N 376.496 5.633 30 40 GKEB Cc1cc(C#N)cc(C)c1Oc1cc(Cl)nc(Nc2ccc(C#N)cc2)n1 77032151 CMORVDDKOVDMDP-UHFFFAOYSA-N 375.819 5.026 30 40 GKEB O=C(Oc1oc(-c2ccco2)nc1/C=N/c1ccc(Cl)cc1)c1ccco1 100397881 KILYDIYOSUANGK-SRZZPIQSSA-N 382.759 5.151 30 40 GKEB O=C1C=C(NCc2ccc(Cl)c(Cl)c2)C[C@@H](c2ccc(Cl)cc2)C1 101487481 XFPJCVKCTBMWDM-CQSZACIVSA-N 380.702 5.767 30 40 GKEB CCCCCCCNCc1cc(Cl)ccc1OCc1ccccc1Cl 102568147 HKLCGUSSULBQRY-UHFFFAOYSA-N 380.359 6.632 30 40 GKEB CC(=O)Nc1ccc(/N=C/c2cc(C)n(-c3ccc4ncccc4c3)c2C)cc1 147379077 SZXPDQUWSXVIEO-CVKSISIWSA-N 382.467 5.351 30 40 GKEB CCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OCCC)cc1C#N 225844874 ACVBQCNCLLFOOT-UHFFFAOYSA-N 388.552 5.543 30 40 GKEB COc1ccc2c(c1)-c1nc(/N=C/c3ccc(Cl)cc3Cl)sc1CC2 408723208 RCCIIEQWPPLHAT-LSHDLFTRSA-N 389.307 5.975 30 40 GKEB COc1cc(/C=C/C(=O)c2ccc(N3Cc4cc(C)c(C)cc4C3)cc2)ccc1O 408729353 AZZNTJLLSJPROM-ONNFQVAWSA-N 399.490 5.434 30 40 GKEB Cc1cc(/C=N/c2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(N(C)C)cc1 408741626 REQFFKIQRWLQIU-ZMOGYAJESA-N 386.326 6.218 30 40 GKEB Cc1cc(/C=N/c2cc(C(=O)O)ccc2Cl)c(C)n1-c1cccc(Cl)c1 408754316 MOWLJNKDAFWQMW-FOKLQQMPSA-N 387.266 5.850 30 40 GKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccccc3OCC#N)c2C#N)C1 409080423 NPMZUYVLIOVYIA-FRQJIFLKSA-N 377.513 5.424 30 40 GKEB Cc1cccc(/N=C/c2c(OCc3cccc(F)c3)ccc3ccccc23)c1C 409220241 ZVJKTKZINYGEAW-LQKURTRISA-N 383.466 6.925 30 40 GKEB Oc1ccc(/C=N/c2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)c(O)c1 1434988 TZRHGQCHHCACDA-AUEPDCJTSA-N 399.233 5.963 30 40 GKEB CC[C@@H](C)c1ccc([C@H]2Sc3ccccc3NC3=C2C(=O)c2ccccc23)cc1 2202846 HOVPQAQUNRCPIN-AKJBCIBTSA-N 397.543 7.067 30 40 GKEB CCCC[C@H]1S/C(=N/N=C/c2ccc(Cl)cc2)N(Cc2ccccc2)C1=O 4910634 ZUHJQWILXLUPQH-GSGORFQQSA-N 399.947 5.364 30 40 GKEB Cc1c(OCc2ccccc2)ccc2c1O/C(=C/c1cn(C)c3ccccc13)C2=O 9423345 WIGDDBHDTGMHSO-ZVHZXABRSA-N 395.458 5.682 30 40 GKEB O=C(Nc1sc2c(c1/C=N/Nc1ccccc1)CCCC2)c1ccccc1 9943214 SDZFSJFBMPTQKN-HZHRSRAPSA-N 375.497 5.325 30 40 GKEB C=C(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 95707847 SZFSPMFXRJVSPT-UHFFFAOYSA-N 380.531 5.478 30 40 GKEB CC1(C)C[C@@](C)(c2ccccc2)c2cccc3c2N1C(=O)/C3=N/c1ccccc1 100117628 UWAZIBUHDAAKBI-NRILKJAUSA-N 380.491 5.642 30 40 GKEB CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2ccccc2Cl)NC1=O 408817250 VJFLBQUAWDFWJZ-YBEGLDIGSA-N 393.295 5.284 30 40 GKEB CCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1 408938973 LMVPMVHULOOKQJ-KTWPFSSRSA-N 394.518 6.662 30 40 GKEB COc1c(Br)cc(/C=N/c2cccc(C)c2C)cc1Br 409203944 ZQJRCOJZJUAVEE-DJKKODMXSA-N 397.110 5.588 30 40 GKEB COc1cc(Br)cc(/C=N/c2ccc3c4c(cccc24)CC3)c1O 1508531 JGYBTSKORNGCKZ-SSDVNMTOSA-N 382.257 5.166 30 40 GKEB Clc1ccc(-c2ccc(/C=N/Nc3ncnc4ccccc34)o2)cc1Cl 4536960 GPLXGILHLDQMRK-YSURURNPSA-N 383.238 5.643 30 40 GKEB O=C(Nc1ccc(/N=C/c2ccccc2O)cc1Br)c1ccccc1 6222778 WEBHAMFMKHZZRT-LPYMAVHISA-N 395.256 5.158 30 40 GKEB CCc1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)cc1 8084406 HVXRTOKIUCEPHE-VULFUBBASA-N 397.877 6.380 30 40 GKEB C[C@H](/N=C(\S)Nc1ccccc1Cl)[C@@H](c1cccs1)N1CCCC1 8692013 NTBJIIGZSCRTDA-GUYCJALGSA-N 379.982 5.325 30 40 GKEB Clc1ccc(/C=N\N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 12466731 FAPKWGFGBLBQRP-ONUIUJJFSA-N 387.914 5.062 30 40 GKEB Cc1ccc(CON=C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 20218515 PRWHOGPLBFXKEK-UHFFFAOYSA-N 397.828 5.235 30 40 GKEB C=CCSc1nc2ccccc2n1C(=O)COc1ccc(Cl)cc1Cl 27025853 DUTCPCZLEWNMPH-UHFFFAOYSA-N 393.295 5.340 30 40 GKEB CCCCOc1ccc(Cl)cc1C1C2=C(CCCC2=O)NC2=C1C(=O)CCC2 33367398 TZJOWQJTINQJKD-UHFFFAOYSA-N 399.918 5.220 30 40 GKEB C=CCSc1ncc(-c2ccc(Br)cc2)n1-c1ccc(F)cc1 44087161 MPQVBMBPVAIULZ-UHFFFAOYSA-N 389.293 5.719 30 40 GKEB CCN(CC)c1ccc(/C=C2/S/C(=N\c3ccc(C)c(C)c3)NC2=O)cc1 83333289 OKENBEVLNBGYEV-XSFVSMFZSA-N 379.529 5.041 30 40 GKEB Cc1ccc(-c2c(C(=O)/C=C/c3cccc(F)c3)c(C)nc3ccccc23)cc1 95945872 LJBCVEAQPTVXLN-NTCAYCPXSA-N 381.450 6.554 30 40 GKEB CN1/C(=C\C(=O)c2n[nH]c3c2CC/C3=C\c2ccccc2)C(C)(C)c2ccccc21 102922916 AUSISAGNACSPNJ-PTUHFYJISA-N 395.506 5.391 30 40 GKEB CC(=NNc1ccc(S(C)(=O)=O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C 299888469 KGRBTTOECAZCNW-UHFFFAOYSA-N 398.572 5.275 30 40 GKEB Cc1cc(/C=N/OCc2ccccc2C#N)c(C)n1-c1ccc(F)c(Cl)c1 408588433 BNJURNHDQFLNGU-BRJLIKDPSA-N 381.838 5.309 30 40 GKEB CCOC(=O)c1c(/N=C/c2cc([N+](=O)[O-])ccc2Cl)sc2c1CCCC2 712018 OREGEPJHSDJMIN-KEBDBYFISA-N 392.864 5.116 30 40 GKEB CCCCCCCCc1ccc(-c2ccc(-c3noc(CCC)n3)cc2)cc1 2065189 FAMIFCOWONHXOC-UHFFFAOYSA-N 376.544 7.259 30 40 GKEB O=C1ON(c2ccccc2)[C@H](c2ccccc2)N1c1ccc(Cl)c(Cl)c1 2245798 YPPDZACZGZHJKR-LJQANCHMSA-N 385.250 6.070 30 40 GKEB Fc1ccc(/C=N/c2cc(Cl)c(/N=C/c3ccc(F)cc3)cc2Cl)cc1 3233509 NATXXMPYVYNAFJ-KOZSXFMUSA-N 389.232 6.773 30 40 GKEB CCCCc1ccc(/C(C)=N/Nc2ccnc(SCc3ccccc3)n2)cc1 4595762 OQHLFJZDCIGKHZ-NLRVBDNBSA-N 390.556 5.948 30 40 GKEB CCc1ccc2nc(SCC(=O)Nc3ccc(C)cc3C)c(C#N)cc2c1 4848921 STGYXQDIYSSYEQ-UHFFFAOYSA-N 375.497 5.017 30 40 GKEB CC(=O)Nc1ccc([C@H]2Sc3ccccc3NC3=C2C(=O)c2ccccc23)cc1 5180383 XHCGNCUHHREBBO-XMMPIXPASA-N 398.487 5.512 30 40 GKEB N#CC1(C#N)[C@H](c2ccccc2C(F)(F)F)[C@H]1C(=O)C12CC3CC(CC(C3)C1)C2 5898845 LFEURGAVAWOZCM-RLERJZMCSA-N 398.428 5.238 30 40 GKEB Cc1nc(SCC(=O)N[C@@H](C)c2cccc3ccccc23)c(C#N)c(C)c1C 7097457 BCBLDFNVKSTJAT-KRWDZBQOSA-N 389.524 5.001 30 40 GKEB Cc1c(Cl)cccc1/N=C/c1cc(Cl)ccc1OCc1cccc(F)c1 8277828 LNQWELLKTQXOCH-BRJLIKDPSA-N 388.269 6.771 30 40 GKEB O=C1N/C(=N/c2ccccc2Cl)S/C1=C\c1ccc(Cl)cc1Cl 16672855 FUQPOFYYOOUECY-AUWJEWJLSA-N 383.687 5.538 30 40 GKEB C=CCOc1ccc(C(=O)N(Cc2cccs2)c2ccc(C)c(C)c2)cc1 27740368 KLSORBUFTPAHMR-UHFFFAOYSA-N 377.509 5.777 30 40 GKEB Cn1nc(C(F)(F)F)c(/C=N/c2ccc(F)cc2)c1Sc1ccc(F)cc1 100271449 HXVYPVBRNKYIHH-YSURURNPSA-N 397.372 5.619 30 40 GKEB C/C=C(C)\C=N\NC(=S)NCCCCCCCCCCCCCCCC 104376658 ZVKYLBOYIWAGJU-RCNUMLTRSA-N 381.674 6.884 30 40 GKEB O/N=C\c1cc(Cl)c(OCc2cccc(Br)c2)c(Cl)c1 226325886 NRFWHSWQEQQRGZ-WSVATBPTSA-N 375.049 5.143 30 40 GKEB COc1cc(C(=O)n2cc(C#N)c3ccccc32)ccc1OCc1ccc(C)cc1 226362019 OBSFQEONIDIFOB-UHFFFAOYSA-N 396.446 5.098 30 40 GKEB CCCCCCCCOc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1 408586292 MQHHDPJJVZQXAN-UHFFFAOYSA-N 393.449 6.697 30 40 GKEB CCOc1cc(/C=N/OCc2ccccc2C#N)cc(Cl)c1O[C@H](C)CC 408594602 IUCPPHYHBMIEDN-GMJSKMFWSA-N 386.879 5.338 30 40 GKEB CC(C)Oc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 408629312 WLMJOWOKSKDDOZ-MRXNPFEDSA-N 396.556 5.810 30 40 GKEB Cc1ccc(COc2ccc3ccccc3c2/C=N/c2cc(Cl)ccc2C)cc1 409199445 CSUSPSCYQVOKSJ-LQKURTRISA-N 399.921 7.440 30 40 GKEB COc1cc(/C=C2\Sc3ccccc3C2=O)ccc1OCc1ccc(C)cc1 409336243 RDCUKJPPDTVPHT-UCQKPKSFSA-N 388.488 5.912 30 40 GKEB CN(C)c1ccc(/C=N/c2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 999296 CMINFVVVLYEQBP-MFKUBSTISA-N 388.902 5.555 30 40 GKEB C[C@@H]1CCc2c(sc(NC(=O)c3cccc4c(Cl)cccc34)c2C#N)C1 1268469 YWPCPNTZSOAHFV-GFCCVEGCSA-N 380.900 5.803 30 40 GKEB O=C(Oc1ccccc1/C=N/c1ccccc1)c1sc2ccccc2c1Cl 3095190 LNYAJCVBDUCFRL-ZVHZXABRSA-N 391.879 6.525 30 40 GKEB CCOc1ccc(/N=C/c2c(OCc3ccccc3F)ccc3ccccc23)cc1 6962095 INRWSJQZRICBEM-OGLMXYFKSA-N 399.465 6.707 30 40 GKEB Cc1ccc(/N=C/c2ccccc2OCc2ccc(Br)cc2)cc1 8371981 DHNPAMFXBVIJMH-OEAKJJBVSA-N 380.285 6.087 30 40 GKEB Cc1ccc(C(=O)/C=C(\CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 12339460 HLPWWFNYQDTTDM-RCCKNPSSSA-N 385.419 5.443 30 40 GKEB CCOc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(C)c(C)c1 12406434 PPTBTHDPEDHAPX-VRCPTZKISA-N 376.500 5.455 30 40 GKEB O=C1C2=C(Nc3ccccc3S[C@@H]2c2cccc(Cl)c2)c2ccccc21 18179655 ILHKFPUGXJCVJH-JOCHJYFZSA-N 375.880 6.207 30 40 GKEB CC(C)(CCCCC(C)(C)/C(=N\O)c1ccccc1)/C(=N\O)c1ccccc1 104327622 BDONFPPVLKFAKB-ORFRIDJFSA-N 380.532 6.356 30 40 GKEB O=C1/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)Sc2ccccc21 213540344 BDVOLRFKCXRYOC-VCHYOVAHSA-N 383.812 5.838 30 40 GKEB COc1ccc(Oc2ccc(N/C=C/C(=O)c3ccc(OC)cc3)cc2)cc1 409103101 AMVWJDXJTUEFCK-FOCLMDBBSA-N 375.424 5.305 30 40 GKEB C=CCc1cc(CO)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409110848 ZBJDTMIPIRQEQS-UHFFFAOYSA-N 397.349 5.025 30 40 GKEB CCCCCCCCCc1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1 604418687 ICBUETCHZAGVDD-FCDQGJHFSA-N 375.512 6.324 30 40 GKEB O=c1oc2ccc3ccccc3c2cc1-c1csc(N/N=C/c2ccccc2)n1 4737293 QZEDBVFDQDHXLR-ZMOGYAJESA-N 397.459 5.516 30 40 GKEB O=[N+]([O-])c1cccc(/C=N/c2cc(C(F)(F)F)ccc2N2CCCCC2)c1O 5390755 XDFXRIGZYLMQQN-FSJBWODESA-N 393.365 5.060 30 40 GKEB C/C(=N\Nc1cc(C(F)(F)F)ccc1Cl)c1cccc(C(F)(F)F)c1 6312590 XKERWGWPQXHKAU-PGGKNCGUSA-N 380.719 6.214 30 40 GKEB CCCOc1c(Br)cc(/C=N/c2cccc(Cl)c2C)cc1OC 6880638 JUTCGLLCICPCJL-SRZZPIQSSA-N 396.712 5.959 30 40 GKEB COc1ccc2c(c1)c(/C=C1/Oc3cc(OCC=C(C)C)ccc3C1=O)cn2C 8765400 ZNEJXXBNJCFAPZ-FOKLQQMPSA-N 389.451 5.148 30 40 GKEB biogenic N#C[C@]1(c2ccccc2)CCc2nc3ccc(Cl)cc3c(-c3ccccc3)c2C1 12970741 ASUPIQDEXIHRJY-SANMLTNESA-N 394.905 6.505 30 40 GKEB N#Cc1nc(-c2ccc(Cl)cc2)oc1NC[C@H](c1ccco1)N1CCCCC1 27994417 UVRSOPLOKVOQRC-GOSISDBHSA-N 396.878 5.099 30 40 GKEB O=C(/C=C(\O)c1ccc([N+](=O)[O-])cc1)/C=C1\SC=C(c2ccccc2)S1 101002687 MIZRBTPZOZOIMW-ALAONZSNSA-N 383.450 5.383 30 40 GKEB CCCCCCCC(=O)Nc1nc(-c2ccc(F)cc2NC(C)=O)cs1 102819304 AQMAICWEDQVYEO-UHFFFAOYSA-N 377.485 5.207 30 40 GKEB Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)C[C@H]1C[C@H]2CC[C@H]1C2 106623422 DSYKZZSJNICPPN-DZFGPLHGSA-N 376.475 5.365 30 40 GKEB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@]45O[C@@H]4CCC[C@]5(C)[C@H]3CC[C@@]21C 123221355 YSHCPAAHOVSKSB-DWLGZPTGSA-N 386.664 7.629 30 40 GKEB C=CCOC(=O)c1cc(Cl)c(OCc2ccccc2)c(Br)c1 226340311 NBHWBINZPYMHJA-UHFFFAOYSA-N 381.653 5.024 30 40 GKEB CCN1C(=O)/C(=C\c2c[nH]c3ccccc23)S/C1=N\c1cc(C)ccc1C 408911873 OUHJWABFNOCYIV-SCTUZPNZSA-N 375.497 5.409 30 40 GKEB CC[C@H](C)c1ccc(/N=C/c2cc(Br)c(Br)o2)cc1 408956032 ZPFIJHCJTQDEHD-NTOSSWPYSA-N 385.099 6.069 30 40 GKEB COc1cc(C)c(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1C(C)C 408961517 MUKKMSJSURLQQS-UDWIEESQSA-N 380.513 5.327 30 40 GKEB Cc1c(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c2ccccc2n1C(C)C 409036983 MOIJKIRKJPCVQE-KTZMUZOWSA-N 383.311 5.245 30 40 GKEB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](/N=C\c3ccccc3)CC[C@H]12 2038406284 PSKHDAPOVCIOJR-VKNYDGCASA-N 379.588 5.878 30 40 GKEB COc1c(Cl)cc(Cl)cc1/C=N/c1sc2c(c1C#N)CC[C@@H](C)C2 799899 AFFBXBRBHIXZAQ-VQGIZBIESA-N 379.312 5.811 30 40 GKEB N#Cc1ccccc1CSc1nc(-c2ccccc2)cc(C(F)(F)F)c1C#N 817983 OFMBNGCQNVPUJU-UHFFFAOYSA-N 395.409 5.803 30 40 GKEB C=C(C)COc1ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(F)(F)F)oc2c1 2400219 AOXMOANUTAGZSM-UHFFFAOYSA-N 394.776 6.087 30 40 GKEB biogenic CCCCCCCC(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1 3050743 FEGVVZFAGGYLCL-UHFFFAOYSA-N 386.923 6.200 30 40 GKEB N#Cc1c(NC(=O)c2sc3cc(F)ccc3c2Cl)sc2c1CCC2 3310428 JSNNPICKAQRVIQ-UHFFFAOYSA-N 376.865 5.368 30 40 GKEB N#Cc1ccc(-c2ccc(OC(=O)/C=C/c3ccc(OC(F)F)cc3)cc2)cc1 3360208 NZFAOPFIELZKEC-LHHJGKSTSA-N 391.373 5.445 30 40 GKEB COc1ccc([N+](=O)[O-])cc1/C=N\c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 6323058 JGZQCPDJALNEII-GKGMIHAQSA-N 397.500 5.438 30 40 GKEB CCCCOc1ccc(C(=O)/C(=C\c2ccncc2)c2nc3ccccc3o2)cc1 12377888 KXYSWXHOYCSAMX-HEHNFIMWSA-N 398.462 5.825 30 40 GKEB C=CCn1c(-c2ccccc2)nn(CN2CCC[C@H]2c2ccccc2)c1=S 12764847 HKTWBTDEINBHCV-FQEVSTJZSA-N 376.529 5.062 30 40 GKEB COc1ccc(C(=O)/C=C/c2cccc(Oc3ccccc3)c2)cc1CC(=O)O 13066828 HZDGNWYECZBKAC-ZRDIBKRKSA-N 388.419 5.011 30 40 GKEB CN(C)c1ccc(/C=N\Nc2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1 33908903 XURZNOALQJRHKN-ITYLOYPMSA-N 393.494 5.323 30 40 GKEB CCCCCCCC[C@H]1S[C@H]1CCCCCCCC(=O)N1CCOCC1 100300029 DPYGHXSTRIZSJD-RTWAWAEBSA-N 383.642 5.811 30 40 GKEB C=CCn1c(-c2ccc(F)cc2)cs/c1=N/c1ccc(SC(F)F)cc1 103370269 GACNPPNVYLCSGI-FCDQGJHFSA-N 392.471 6.089 30 40 GKEB CCCCCCCCCCCCCCCCCCn1cnc2c(N)ncnc21 104196744 AMFVTCHMGYXZSW-UHFFFAOYSA-N 387.616 6.670 30 40 GKEB CCCCCCCCCCCCCC1=NCC[N+]1(CCO)Cc1ccccc1 104345412 YKNKHUABKAOTSB-UHFFFAOYSA-N 387.632 6.109 30 40 GKEB CCN1c2cc(C)c(/C=N\NC(=S)Nc3ccccc3)cc2[C@H](C)CC1(C)C 208319271 IRPXKJWXYNHDPP-WMWHPZEKSA-N 394.588 5.428 30 40 GKEB CCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)c(C#N)c1 225768486 GZWNODCCCYPVIQ-UHFFFAOYSA-N 392.499 5.196 30 40 GKEB C#CCOC(=O)c1cc(Cl)c(OCc2ccc(F)cc2Cl)c(Cl)c1 226321917 WIHBMBZCYJPNGC-UHFFFAOYSA-N 387.621 5.155 30 40 GKEB CC[C@@H](C)Oc1ccccc1/C=C1\SC(=Nc2ccccc2Cl)NC1=O 408602485 OPQHUXBFZOCGNJ-FDIDITGRSA-N 386.904 5.409 30 40 GKEB O=C(/C=C/Nc1ccccc1Oc1ccccc1)c1ccc(Br)cc1 409055093 JRTRRQATIJKNCH-CCEZHUSRSA-N 394.268 6.050 30 40 GKEB COc1cccc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)c1O 796467 QZFRUQQBCQKZLN-QFIPXVFZSA-N 392.499 5.240 30 40 GKEB Cc1cc(/N=C/c2cccn2-c2ccc(N(C)C)cc2)ccc1Br 1095469 DHZBAEZZWSNXGN-HYARGMPZSA-N 382.305 5.365 30 40 GKEB O=C(C/C=N/OCc1c(F)cccc1Cl)c1cc(Cl)sc1Cl 4013616 GFJQBSIDTQFCDU-PTXOJBNSSA-N 380.655 5.623 30 40 GKEB C=C(C)Cn1c([C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)nc2ccccc21 4033342 KCGKZUIRFDINTB-OAHLLOKOSA-N 399.416 5.152 30 40 GKEB CC1(C)C[C@H]2C[C@](C)(CN2CC#CC[C@@](O)(c2ccccc2)C2CCCC2)C1 4844078 HTAKNOHRSLCONI-AYRHNUGRSA-N 379.588 5.359 30 40 GKEB CCC[C@@H]1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2ccccc2C)C1=O 5093727 VDTVXPWZRHCESD-UQTBGETHSA-N 393.556 5.246 30 40 GKEB O=C1N/C(=N/c2ccc3ccccc3c2)S/C1=C/c1cccc2ccccc12 5551561 NQCUQYSINPYJJU-PXLXIMEGSA-N 380.472 5.885 30 40 GKEB Cc1ccc([C@@H]2C[C@@H]2/C(=N/OCc2ccccc2F)c2ccc(F)cc2)cc1 5617811 OJHCWLGHNUBRQP-WNMHCLEYSA-N 377.434 5.998 30 40 GKEB Cc1occc1-c1nnc(SCc2ccc(C#N)cc2)n1Cc1ccccc1 6532202 PEIWDMHCAOSUBI-UHFFFAOYSA-N 386.480 5.059 30 40 GKEB Cc1ccc(C)c(/N=C\c2cccc(OCc3ccc(Br)cc3)c2)c1 8368238 CCPNNIAIOGVPHP-OYKKKHCWSA-N 394.312 6.396 30 40 GKEB CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@@H]2c1ccccc1Cl 19805448 WOUVTKDIPNMELY-CTNGQTDRSA-N 389.882 5.382 30 40 GKEB Cc1nc2ccccc2c(-c2ccc(Cl)cc2)c1C(=O)/C=C/c1ccccc1 95946342 HVIMEJPGRCTTNC-LFIBNONCSA-N 383.878 6.760 30 40 GKEB CC(C)(C)c1cc(/C=C(\N=C\c2ccccc2)C(=O)O)cc(C(C)(C)C)c1O 96113518 ZIRBMEDBOBICRL-KLINPMNRSA-N 379.500 5.532 30 40 GKEB CCCCCCCCCCOc1ccc(NC(=O)NCc2cccnc2)cc1 100025101 FVAPFRGHMQODDO-UHFFFAOYSA-N 383.536 5.923 30 40 GKEB Cc1cccc(N2C(=O)C(=O)/C(=C(O)\C=C\c3ccccc3)[C@@H]2c2ccccc2)c1 102884596 HGJRIYVIAIVCTE-NYXOGCTQSA-N 395.458 5.178 30 40 GKEB COc1cc(/C=N\c2cccc(C(F)(F)F)c2)ccc1OC(=O)c1ccccc1 104160819 UFZMSRBYLWFMOS-WGARJPEWSA-N 399.368 5.684 30 40 GKEB CCCCCCCCCOC(=O)N[C@@H]1c2ccccc2Oc2c(C)cccc21 104249301 NDLYVNZQECWOJK-JOCHJYFZSA-N 381.516 6.667 30 40 GKEB CCc1ccc(-n2c(C)cc(/C=N/N(c3ccccc3)c3ccccc3)c2C)cc1 408765811 YEIHXYVULHAHCV-VFCFBJKWSA-N 393.534 6.829 30 40 GKEB Cc1ccc(-c2ccc(/C=N/c3ccc(C(=O)O)c(Cl)c3)o2)cc1C(=O)O 408845338 GCRZRFDCBMMFEX-LSHDLFTRSA-N 383.787 5.055 30 40 GKEB COc1ccccc1/C=N/Nc1nc(C(F)(F)F)c(-c2ccc(F)cc2)s1 4380398 QDYMSHGSNZSDMI-AUEPDCJTSA-N 395.381 5.423 30 40 GKEB CCSc1nc2c(c(-c3cccs3)c1C#N)CC/C2=C\c1cccs1 5569013 FJYIDEPKHULQFG-ACCUITESSA-N 380.563 6.342 30 40 GKEB N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCCc1ccccc1 9423297 HUHDXKBQTNOGCJ-UHFFFAOYSA-N 384.426 5.974 30 40 GKEB N#CCN(C(=O)CSc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 9790541 MRHKUKSJHZPEFY-UHFFFAOYSA-N 384.810 5.008 30 40 GKEB CCOc1ccccc1/C=C1\S/C(=N\c2ccccc2)N(C2CCCC2)C1=O 16693355 VTLHTCPPWHCQHB-BLOQEJBCSA-N 392.524 5.632 30 40 GKEB CCCCCCCCCCOc1ccc(NC(=O)NC2CCCCCC2)cc1 98001475 BBIWHSCVGNAHQZ-UHFFFAOYSA-N 388.596 7.050 30 40 GKEB CCCCCCCCCCCC(=O)Nc1sc2c(c1C(=O)OC)CCC2 103000249 RBBAXMVFCCVBHS-UHFFFAOYSA-N 379.566 5.883 30 40 GKEB CCCCCOc1ccc(/C=N\Nc2nc(-c3ccccc3)c(C)s2)cc1 169952312 JWFFAPQPLWGJCE-KQWNVCNZSA-N 379.529 6.134 30 40 GKEB CCc1ccc(-n2c(C)cc(/C=N/c3ccc(-c4ccccc4)cc3)c2C)cc1 408753651 KCJSXKWEKSHHCN-TURZUDJPSA-N 378.519 7.074 30 40 GKEB CCc1ccc(-n2c(C)cc(/C=N\c3ccccc3Br)c2C)cc1 408757913 DQWQNTPNNHYRQM-UCQKPKSFSA-N 381.317 6.170 30 40 GKEB Cc1ccc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)cc1[N+](=O)[O-] 409381162 DIXRLZHOEANMDA-FSJBWODESA-N 387.351 5.639 30 40 GKEB CC[C@@]1(C#N)N=C(c2ccccc2)c2ccccc2N1C(=O)Oc1ccccc1 1612173 WLOSOUFXXKTZQT-XMMPIXPASA-N 381.435 5.173 30 40 GKEB Cc1ccc2oc(-c3ccc(/N=C/c4ccc(-c5ccc(F)cc5)o4)cc3)nc2c1 3170235 ABUBBXJJEWABPV-JFLMPSFJSA-N 396.421 6.953 30 40 GKEB C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@@H]1CC[C@H]2[C@H](C)/C=C/[C@H](C)C(C)C 5481904 MECHNRXZTMCUDQ-SKIABDQBSA-N 396.659 7.641 30 40 GKEB N#Cc1ccccc1OCC(=O)Nc1cc(Cl)ccc1Oc1ccccc1 5579086 IVHKROZPLAPYFA-UHFFFAOYSA-N 378.815 5.021 30 40 GKEB COc1ccc(/N=C/c2c(C)nn(-c3ccccc3)c2N2CCCC2)cc1Cl 5865729 ZBGYFJAYMIQORV-BUVRLJJBSA-N 394.906 5.194 30 40 GKEB CCCCOc1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1OC 6635712 LXPAISLXARXYAN-UHFFFAOYSA-N 396.483 5.002 30 40 GKEB Cc1ccc(/N=C/c2c(OCC(=O)Nc3ccccc3)ccc3ccccc23)cc1 8371726 YENPOESLYIIYTA-WPWMEQJKSA-N 394.474 5.916 30 40 GKEB C=CCc1c(C)nc(-c2ccccc2)nc1N/N=C(/C)c1ccc(Cl)cc1 13382113 VCKGRBBLEXOHDC-YSMPRRRNSA-N 376.891 5.670 30 40 GKEB Cc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1ccc(C(C)C)cc1 18222383 NFFVMRYVYGTVBG-CYFREDJKSA-N 398.510 5.126 30 40 GKEB COc1ccccc1CN/N=C/c1cn(Cc2ccc(C)cc2)c2ccccc12 20762159 FBYXOYBIONPEQL-JVWAILMASA-N 383.495 5.130 30 40 GKEB CCCCOc1ccc(C(=O)/C=C/Nc2ccc(F)cc2Br)cc1 44843187 LUEIPCPQCLYALP-ZHACJKMWSA-N 392.268 5.576 30 40 GKEB Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1oc2c(C)cccc2c1C 53483696 IGYGZALPHSCLEQ-UHFFFAOYSA-N 397.434 5.669 30 40 GKEB CC1(C)CC2=NC3=C(C(=O)c4ccccc43)[C@@H](c3ccccc3Cl)C2=C(O)C1 102676788 YORLXTQJIUNPIX-IBGZPJMESA-N 389.882 6.118 30 40 GKEB Cc1ccsc1/C=C1\S/C(=N\C2CCCCC2)N(C2CCCCC2)C1=O 107867339 VXGCVFRSKUKYFY-IECUCWQJSA-N 388.602 5.994 30 40 GKEB CCCc1sc(N/N=C/c2ccc(N(C)C)cc2)nc1-c1ccc(C)cc1 408755412 LELDTPIJCDJXKY-HZHRSRAPSA-N 378.545 5.583 30 40 GKEB FC(F)(F)c1cccc(-n2cccc2/C=N/Nc2ccc3ccccc3n2)c1 408943802 YZWMGIKAXRBUKQ-AFUMVMLFSA-N 380.373 5.490 30 40 GKEB Cc1ccc(Cl)cc1/N=C\c1cccc(OS(=O)(=O)c2ccccc2)c1 409218589 VUJAUWXQTVRSIQ-HMAPJEAMSA-N 385.872 5.167 30 40 GKEB C=CCSc1nc2ccc(NC(=O)c3cccc4ccccc34)cc2s1 2368931 BTKMIOJGUZAXJL-UHFFFAOYSA-N 376.506 5.980 30 40 GKEB O=[N+]([O-])c1cccc(-c2csc(N/N=C/c3c(O)ccc4ccccc34)n2)c1 3961708 GCKJJHBTLOYQOC-SRZZPIQSSA-N 390.424 5.023 30 40 GKEB Cc1ccccc1N/N=C(\C#N)c1nc(-c2ccc(Br)cc2)cs1 4175313 MJBPYTFPMFAVFX-XQNSMLJCSA-N 397.301 5.221 30 40 GKEB O=[N+]([O-])c1ccc(N/N=C2\CCC[C@H]3CC=C4CCCC[C@H]4[C@H]23)c([N+](=O)[O-])c1 5002487 RFHIUHRDJRIZSE-ZHPSPCQNSA-N 384.436 5.208 30 40 GKEB CCOc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCc1ccccc1F 6961613 SUYNOYJGDWFGMA-VULFUBBASA-N 397.877 6.516 30 40 GKEB CCOc1cc(/C=N/c2ccc(C)cc2C)ccc1OCc1ccccc1F 6961630 RPWUZWUOYOKPHZ-CVKSISIWSA-N 377.459 6.171 30 40 GKEB Cc1cc(-c2ccccc2)nc(N/N=C/c2c3ccccc3cc3ccccc23)n1 13943251 WUMOPBJOMORJSS-WPWMEQJKSA-N 388.474 6.204 30 40 GKEB Cc1ccccc1/N=C(C(=N/c1ccccc1C)/c1ccccc1)\c1ccccc1 17193983 DEUYSGWDVHBEOV-QAVVBOBSSA-N 388.514 7.245 30 40 GKEB C/C(=N/Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(C(C)(C)C)cc1 33678209 IDDOMKWPPWDHTL-FMCGGJTJSA-N 379.382 5.747 30 40 GKEB CCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1C#N 225761329 ADRCGUWPRVMCLO-UHFFFAOYSA-N 380.463 5.327 30 40 GKEB CCOc1cccc(/N=C\c2c(Br)c(C)n(-c3ccccc3)c2C)c1 408854438 FUFIOOZCZYBPOB-UCQKPKSFSA-N 397.316 6.006 30 40 GKEB CCCCN1C(=O)/C(=C\c2cccc(OC)c2)S/C1=N\c1ccc(C)cc1 408912689 LMQCQEGETQNLQG-OCIPIQTLSA-N 380.513 5.408 30 40 GKEB O=C1/C(=C/c2cccc(F)c2)S/C(=N\c2ccccc2)N1Cc1ccco1 408917484 VJKVHJNFLKUJAU-QFGKFHJGSA-N 378.428 5.223 30 40 GKEB O=[N+]([O-])c1cccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)c1 408936550 KZSAZSDLQFIKDX-WGCMYMJESA-N 395.462 6.172 30 40 GKEB CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccc(C(C)C)cc2)C1=O 408996289 HEGZSUCOGBFXLC-RGEXLXHISA-N 393.508 5.354 30 40 GKEB CCOC(=O)/C(=C/C(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1 409188553 DBFVYQDSWDLZCH-YBEGLDIGSA-N 398.673 5.389 30 40 GKEB CCCCc1ccc(/N=C/c2ccc(/C=N/c3ccc(CCCC)cc3)cc2)cc1 1692748 OWDOPPGNUYIHFQ-VFIVCBTMSA-N 396.578 7.873 30 40 GKEB C=C(C)COc1cccc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)c1 2084002 GHGYKOMTACNJDE-STZFKDTASA-N 375.468 5.284 30 40 GKEB CCCCCCCCCC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 2084364 PMXMYYUBVBMIOB-UHFFFAOYSA-N 399.387 7.196 30 40 GKEB Cc1cccc2oc(-c3ccc(/N=C/c4ccc(Br)cc4)cc3)nc12 3115377 XQPFVDPUOZIFJX-YDZHTSKRSA-N 391.268 6.316 30 40 GKEB O=C1CCCC2=C1[C@@H](c1ccco1)N(C(=O)C1CCCCC1)c1ccccc1N2 9264204 GPVYLTOMHYCRJK-HSZRJFAPSA-N 390.483 5.367 30 40 GKEB C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=S)Nc1ccccc1C 12654269 ZWYKMWCQBSTYTI-UHFFFAOYSA-N 398.919 5.083 30 40 GKEB COc1cccc(/C=C(/C(=O)c2ccc(C)cc2)c2nc3ccccc3o2)c1OC 12756034 VJXXBDYCLNDVSI-CYVLTUHYSA-N 399.446 5.577 30 40 GKEB CC1(C)[C@@H]2CC[C@@]1(C)/C(=N\Nc1ncc(-c3ccc4ccccc4c3)s1)C2 17282429 OLJYBWWEEIPPRM-VAXIOIRYSA-N 375.541 6.577 30 40 GKEB CCCOC(=O)c1ccc(/N=C/c2cc(Cl)cc(Br)c2O)cc1 19596763 MKRJXXNNWQSXSU-KEBDBYFISA-N 396.668 5.126 30 40 GKEB N#Cc1c(-c2c(Cl)cccc2Cl)noc1/C=C/Nc1ccc(Cl)cc1 100401482 NFQWQRNWQMLUAI-CMDGGOBGSA-N 390.657 6.256 30 40 GKEB Cc1ccc(NC(=O)c2c(/N=C\c3ccccc3)sc3c2CCCC3)c(C)c1 101890780 VYDNHWCKPQTCHC-MYYYXRDXSA-N 388.536 6.247 30 40 GKEB CCc1ccc(-n2c(C)cc(/C=N/c3cc(C(=O)OC)ccc3Cl)c2C)cc1 408755088 MJWRBIZGLHUGNC-AFUMVMLFSA-N 394.902 5.847 30 40 GKEB C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2cccc(O)c2)S/C1=N\c1ccccc1 408862565 HGWVHFCUGGZIPY-SDDRMIQHSA-N 392.524 5.575 30 40 GKEB Cc1cc(/C=N/c2ccc3c(c2)OCO3)c(C)n1-c1cc(Cl)ccc1Cl 408911704 CIIHAJCGLYCTHZ-AUEPDCJTSA-N 387.266 5.880 30 40 GKEB CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)ccc1O 408915139 PEMUNJQBCLNGIG-DYEBMTOPSA-N 396.512 5.112 30 40 GKEB CCN1C(=O)/C(=C\c2ccccc2OCC(C)C)S/C1=N\c1ccc(C)cc1 408916712 YTZVTYSKVOUWNZ-NFEGURHZSA-N 394.540 5.654 30 40 GKEB CCOc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)ccc1OC 409084809 YAWJWCIIIFEBSO-FRQJIFLKSA-N 396.556 5.929 30 40 GKEB CCCN1C(=O)/C(=C/c2ccc(OC)cc2)S/C1=N/c1ccc(Cl)cc1 409092542 WYCGUINFDABPPY-YISMEOAQSA-N 386.904 5.363 30 40 GKEB Oc1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1-c1nc2ccccc2o1 712054 IZYDLQVCFGHTAI-AUEPDCJTSA-N 399.233 5.963 30 40 GKEB CC(=O)O/N=C(\C)CC/C=C(\C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)CCC[C@@]12C 4026945 NQRNQFVQINDGPA-YRMUEYENSA-N 387.608 7.231 30 40 GKEB biogenic Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2)cc1 4663375 PKETZANZSOHIEC-FQRUVTKNSA-N 380.491 5.975 30 40 GKEB C=CCc1ccccc1Oc1nc(-c2cccc(OC)c2O)nc2ccccc12 5562581 BDVSKISMAFLZNC-UHFFFAOYSA-N 384.435 5.532 30 40 GKEB COc1ccc(Br)cc1/C=C/C(=O)c1ccc(Br)cc1 5720632 RJLKUCOEXXPFDH-XBXARRHUSA-N 396.078 5.116 30 40 GKEB O=C1/C(=C/c2ccc(-c3ccccc3)cc2)Oc2c1ccc(O)c2CN1CCCC1 9053849 LDNQDRLZPSJHPZ-JLPGSUDCSA-N 397.474 5.271 30 40 GKEB O=C1/C(=C\c2ccccc2)CN(C(=O)Oc2ccccc2)C/C1=C/c1ccccc1 16953466 XLDMFJRQWIVEPX-IDUDEYGOSA-N 395.458 5.237 30 40 GKEB CCCCCCCCOc1ccc(/C=C2\C=C(c3ccccc3)OC2=O)cc1 97968537 SJGHGSPAVHWKBU-RELWKKBWSA-N 376.496 6.407 30 40 GKEB Cc1cc2nc(-c3ccc(NC(=O)c4ccc(C#N)cc4F)cc3)oc2cc1C 408628706 WGXBVMIMGJNUMM-UHFFFAOYSA-N 385.398 5.375 30 40 GKEB C=CCOc1ccc(Br)cc1/C=N/c1sc(C)c(C)c1C#N 408808150 DMYXZISDVYXEQU-KEBDBYFISA-N 375.291 5.315 30 40 GKEB Clc1ccc(Sc2ccc(/C=N\c3cccc(Cl)c3Cl)cc2)cc1 409096347 KUFAYYYZCKHYCE-FMCGGJTJSA-N 392.738 7.549 30 40 GKEB O=[N+]([O-])c1cc(/C=N/c2cc(-c3ccccc3)ccc2O)ccc1Br 3033595 UHNRKBFDLMJXGS-CIAFOILYSA-N 397.228 5.481 30 40 GKEB N#Cc1ccc(Sc2ccc(Cl)cc2)c(NC(=O)c2ccccc2Cl)c1 3104435 GVFIMJBKHDAUOF-UHFFFAOYSA-N 399.302 6.269 30 40 GKEB O=C(/C=C/c1ccccc1Cl)c1ccc(OC(=O)c2ccccc2Cl)cc1 6926816 WBVAFJWQCSLFAV-SDNWHVSQSA-N 397.257 6.109 30 40 GKEB CC(C)Sc1cccc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)c1 7597894 BBQVMEZRPWAHAH-UHFFFAOYSA-N 379.510 5.435 30 40 GKEB O=C(C[n+]1cc(-c2ccccc2)n2c1CCC2)c1ccc(C2CCCCC2)cc1 13786943 UVTQZGQWCQCZPF-UHFFFAOYSA-N 385.531 5.319 30 40 GKEB N#Cc1cc2c(nc1SCc1ccc(Cl)cc1Cl)C1CCN2CC1 16385041 QCNYWYWXXYWNDT-UHFFFAOYSA-N 376.312 5.250 30 40 GKEB CC(C)(C)/[N+]([O-])=C/[C@@H](c1ccccc1)[C@@H](/C=[N+](\[O-])C(C)(C)C)c1ccccc1 16941935 CILLGYSYGQMQPA-RMHDHFMLSA-N 380.532 5.313 30 40 GKEB CCc1ccc(/N=C2\S/C(=C/c3ccc(OC(C)C)cc3)C(=O)N2C)cc1 17077822 JBSVFIXRPCUCBB-QNQNADBQSA-N 380.513 5.270 30 40 GKEB Cc1cccc2c1Oc1nn(-c3ccccc3)c(/N=C/c3ccccc3Cl)c1C2 20849577 JTGDADIWDVDLHP-CVKSISIWSA-N 399.881 6.281 30 40 GKEB CCCCCCCn1c2ccccc2n2cc(-c3ccc([N+](=O)[O-])cc3)nc12 53319096 SEAWNUDPTFGMPV-UHFFFAOYSA-N 376.460 5.835 30 40 GKEB C=C1[C@H]2C[C@H](C(=C(c3ccccc3)c3ccccc3)[C@H]2c2ccccc2)C1(C)C 68564068 KERZPJNYRQANFB-SLQPCKNISA-N 376.543 7.504 30 40 GKEB C=C(C)COc1cccc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 219792064 JSUSWCYWJLRVLG-UXHICEINSA-N 392.543 5.369 30 40 GKEB CCOc1ccc(/C=N/c2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 408722401 IEZUBVBWVPQIRZ-KOEQRZSOSA-N 384.504 6.626 30 40 GKEB CCc1ccc(-n2c(C)cc(/C=N/c3ccc(C4CCCCC4)cc3)c2C)cc1 408761097 HTRLCMZNFWTASI-TURZUDJPSA-N 384.567 7.455 30 40 GKEB CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2cc(C)cc(C)c2)NC1=O 408815173 IQGYMJSBAOEYGH-WQRHYEAKSA-N 386.904 5.247 30 40 GKEB CC(C)N1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)S/C1=N\c1ccccc1 408913336 SWLPJHNUHAQVRY-ADGFTTEDSA-N 378.541 5.997 30 40 GKEB Fc1ccc(-c2ccc(/C=N/Nc3c(F)c(F)c(F)c(F)c3F)o2)c(F)c1 408976748 SYHYPDZRJXFVJB-KXEZBXAJSA-N 388.242 5.366 30 40 GKEB Cc1ccc(/N=C\c2cccn2-c2cccc(Br)c2)cc1[N+](=O)[O-] 409021150 YIFKJRBRAFKBNH-NDENLUEZSA-N 384.233 5.207 30 40 GKEB Oc1ccc(-n2cccc2/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 409021988 HCZJTMODMXLOII-MTDXEUNCSA-N 396.534 6.401 30 40 GKEB CCc1ccccc1/N=C/c1cccc(OC)c1OCc1ccc(C(=O)O)cc1 409186443 CAVPIKYKODGOLC-MFKUBSTISA-N 389.451 5.285 30 40 GKEB Cc1ccc(/N=C/c2ccccc2OS(=O)(=O)c2ccccc2)cc1Cl 409209112 GBONCRIMQFQLGT-HYARGMPZSA-N 385.872 5.167 30 40 GKEB O=[N+]([O-])c1cccc(/C=N/c2ccc3oc(-c4ccc(F)cc4Cl)nc3c2)c1 1435206 LRFUOTOCYRZNMX-FOKLQQMPSA-N 395.777 5.946 30 40 GKEB C=CCn1c(SCc2ccc(C)cc2)nc(-c2ccccc2)c1-c1ccccc1 3047487 NEPSIYSEHPQFLT-UHFFFAOYSA-N 396.559 7.004 30 40 GKEB CCCCN1C(=O)/C(=C\c2ccc(C)c(OC)c2)S/C1=N/c1ccccc1 4664228 PHMDPGIWMKWIOQ-MPIQAULUSA-N 380.513 5.408 30 40 GKEB COc1cccc([C@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)c2ccccc23)c1 4678809 KXBFDSVFWJRDIN-FQEVSTJZSA-N 385.463 5.473 30 40 GKEB O=C1N/C(=N\c2ccccc2)S/C1=C\c1ccc(-c2ccccc2Cl)o1 5556997 TULCYVAJAPKCCK-PDGQHHTCSA-N 380.856 5.492 30 40 GKEB Cc1ccc(/N=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)c(C)c1 8368459 AKZASFWAADMUEL-LQKURTRISA-N 399.921 7.440 30 40 GKEB COc1cc(/C=N/c2ccc(C)cc2)ccc1OCC(=O)Nc1cccc(C)c1 8371896 QGTORKRIAFAALY-MFKUBSTISA-N 388.467 5.080 30 40 GKEB Cc1ccccc1/N=C/c1ccccc1OS(=O)(=O)c1ccc(Cl)cc1 8570936 RMZHIXKXJSOTEF-HYARGMPZSA-N 385.872 5.167 30 40 GKEB CCc1ccc2oc(-c3cc(/N=C/c4cccc(OC)c4O)ccc3O)nc2c1 13739138 IAHSRJQCARUBRI-ZMOGYAJESA-N 388.423 5.228 30 40 GKEB Cc1ccc(/C=C2\Oc3cc(OCc4ccc(F)cc4Cl)ccc3C2=O)o1 13778660 OMIZDTCENLTFLV-JMIUGGIZSA-N 384.790 5.576 30 40 GKEB C=C(C)C[C@@H]1N[C@H]2CC(C)(C)[C@@H]1c1c(Br)ccc(Br)c12 19691566 LQZVTORZIAYQLZ-XEZPLFJOSA-N 399.170 5.704 30 40 GKEB CC(=O)N(c1nc(COc2ccccc2C#N)cs1)c1c(C)cc(C)cc1C 32852814 OVJDBEBWPPSBNK-UHFFFAOYSA-N 391.496 5.204 30 40 GKEB Cc1cc([N+](=O)[O-])cc(/C=N/c2cccc(-c3nc4ccccc4s3)c2)c1O 36167341 DIRCDJQVQBCTMR-WSDLNYQXSA-N 389.436 5.636 30 40 GKEB CC1(F)C(F)(F)C(F)(F)C(F)(F)C(C)(F)C(F)(F)C(F)(F)C1(F)F 100044459 ABYARYWWHVMEOC-UHFFFAOYSA-N 392.130 5.268 30 40 GKEB CCCCCCCCCCCCCCCCCOC(=O)C(CC)(CO)CO 221016303 ABEASLIYFHXSOK-UHFFFAOYSA-N 386.617 5.782 30 40 GKEB CCn1cc(/C=C2\C[C@@H]3[C@H]4CC[C@@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)cn1 253508291 BLUXDDQLXIXNPG-UNKTVAJESA-N 380.576 5.898 30 40 GKEB CCOC(=O)c1c(/N=C\c2ccc(OCC(C)C)cc2)sc2c1CCCC2 408602929 PAUGGXXJYUFTDY-QRVIBDJDSA-N 385.529 5.589 30 40 GKEB CC[C@@H](C)c1ccc(/N=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)cc1 408775948 KUCLLAZEMZZQQI-DTVDJLOLSA-N 375.472 6.266 30 40 GKEB CCOc1ccc(Cl)cc1/C=N/c1ccc(Oc2ccc(OC)cc2)cc1 409093530 ALOGJLDVUDXTBB-BUVRLJJBSA-N 381.859 6.290 30 40 GKEB C#CCOc1ccc(CNc2ccc(Cl)c(Cl)c2)cc1Br 409204017 BLRIAOHLJXNSEM-UHFFFAOYSA-N 385.088 5.380 30 40 GKEB C(=N/c1ccc(Nc2ccccc2)cc1)\c1cccc(OCc2ccccc2)c1 2821168 NRGHMFZNYSUKNE-ZXVVBBHZSA-N 378.475 6.760 30 40 GKEB Fc1ccccc1-c1nc2cc(/N=C/C=C/c3ccccc3Cl)ccc2o1 3044596 LNXZEXRGIQXLDU-NAHLOZMDSA-N 376.818 6.703 30 40 GKEB CN/C(=N/Cc1ccccc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1 3062724 BIWUBVLCAYMEQX-UHFFFAOYSA-N 395.846 5.207 30 40 GKEB Oc1ccc(Br)cc1/C=N/c1ccc2oc(-c3cccnc3)nc2c1 3096375 OQTBJEWGKYCHSO-SSDVNMTOSA-N 394.228 5.109 30 40 GKEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(Sc3nc4ccccc4s3)o2)cc1 4404958 IUTQYNRRYMDEAE-YBFXNURJSA-N 396.453 5.395 30 40 GKEB O=C1N/C(=N\c2ccccc2)S/C1=C/c1ccc(-c2ccccc2Cl)o1 4577704 TULCYVAJAPKCCK-LDADJPATSA-N 380.856 5.492 30 40 GKEB CCOC(=O)/C(=C/c1ccc(-c2ccccc2Cl)o1)C(=O)c1ccccc1 5868515 WGKJIKKLDHIBMM-NBVRZTHBSA-N 380.827 5.429 30 40 GKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(Cl)cc3)c2C#N)C1 5902490 OCLUHIUPZJLFHH-VQCVXAJWSA-N 398.959 6.076 30 40 GKEB Cc1ccc(COc2c(Cl)cc(/C=N/c3cccc(C)c3C)cc2Cl)cc1 8372976 GLDWYIFRNLAMMP-LGJNPRDNSA-N 398.333 7.248 30 40 GKEB C(=N/Nc1nc(-c2ccccc2)c2ccccc2n1)\c1cccc2ncccc12 46085321 KHXNIKSMMBECNT-WGOQTCKBSA-N 375.435 5.291 30 40 GKEB CCCCCCCCCCCC(=O)O[C@@H](C)C(=O)NC(C)(C)CC(C)(C)C 100302525 NEDCSNDIXOFJGV-IBGZPJMESA-N 383.617 6.170 30 40 GKEB CC(=O)Nc1ccc(/N=C/c2ccccc2OCc2ccc(Cl)cc2)cc1 100384256 ZXEOPVPTDKDXPJ-ZVHZXABRSA-N 378.859 5.628 30 40 GKEB CCCCCCCCCCCCCCCC[N+](C)(C)CCOS(C)(=O)=O 104190410 PVCYGFSYKGCMGO-UHFFFAOYSA-N 392.670 5.520 30 40 GKEB C=CCOC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)c(OCC)c1 216821945 VLOIIDKQDFZQKL-UHFFFAOYSA-N 381.255 5.314 30 40 GKEB C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1cccc(F)c1)C2=O 253498437 JPKPGSNREZFIQX-YYTKOELOSA-N 394.530 5.712 30 40 GKEB CCCCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)cc1 408762110 JDPOSHZSDRAXOB-YZSQISJMSA-N 388.511 6.110 30 40 GKEB O=C(Nc1cccc(/N=C/c2ccccc2O)c1)c1ccc(Cl)cc1Cl 805579 MKHYNRJLLGOYQG-FSJBWODESA-N 385.250 5.702 30 40 GKEB N#Cc1c(-c2ccccc2)cc(NCc2cccnc2)n2c1nc1ccccc12 1307961 BJCBPJOHVZEKJW-UHFFFAOYSA-N 375.435 5.033 30 40 GKEB CCOc1ccccc1NC(=O)c1c(/N=C/c2ccccn2)sc2c1CCC2 4545641 PDKYZNAGVHPYKN-ZVHZXABRSA-N 391.496 5.033 30 40 GKEB C=CCc1ccccc1O[C@@]1(c2ccc(Cl)cc2)OC(=O)c2ccccc21 4889234 GCADAPRAXPZPPA-QHCPKHFHSA-N 376.839 5.519 30 40 GKEB Cc1ccccc1/N=C1\N=C(S)N(Cc2ccccc2)[C@@]12CCOC(C)(C)C2 5854856 KWPAIRRIOJMPBO-HSZRJFAPSA-N 393.556 5.154 30 40 GKEB CCCCCCCCCOc1ccc(C=O)c(OCCCCCCCCC)c1 59608633 HPFCFKKSTQSGBD-UHFFFAOYSA-N 390.608 7.758 30 40 GKEB CCc1ccc(C(=O)Nc2c(C)cc3nc(NN=C(C)C)sc3c2C)cc1 72228590 JZGOJOSEQPDQTN-UHFFFAOYSA-N 380.517 5.536 30 40 GKEB CCn1c(N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)nc2ccccc21 408692014 BGYKGMGRLZPZOL-FSJBWODESA-N 399.281 6.069 30 40 GKEB Cc1c(Cl)cccc1/N=C\c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 409208029 AJPHOKYIQFNXNK-QRVIBDJDSA-N 380.831 5.886 30 40 GKEB COc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(C)c(Cl)c1 1411178 ABJUHDKDTPJXPZ-IHCIQGKHSA-N 382.891 5.410 30 40 GKEB C=CCSC1=N[C@@]2(C[C@H](c3ccccc3)Oc3cc(O)ccc32)CC(C)(C)N1 4535706 PEDQZAYYCYICDC-OFNKIYASSA-N 394.540 5.158 30 40 GKEB Cc1ccccc1/N=C/c1c(OCc2cccc(Cl)c2)ccc2ccccc12 8570804 DGKGOJRHBRRUKW-JVWAILMASA-N 385.894 7.131 30 40 GKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H]4O[C@@]45CCCC[C@]5(C)[C@H]3CC[C@@]21C 30725693 OJFSRAVBTAGBIM-UXWTYBCRSA-N 386.664 7.629 30 40 GKEB biogenic,in-vitro C#CCN(C)C[C@@H]1C=C(C)[C@H](Cc2nnc(-c3ccc(C)cc3)o2)C[C@H]1C(C)C 96617448 YCNHRKTUKWHORQ-VABKMULXSA-N 391.559 5.007 30 40 GKEB biogenic,in-vitro CCCCCCCCCC(CCCCCCCCC)NCCCCCCCC 97950569 SNCWPSUCMUEUDY-UHFFFAOYSA-N 395.760 9.587 30 40 GKEB CC1(C)[C@@H]2CC[C@]1(C)C(=O)/C2=C\C(\N=N\c1ccccc1)=N/Nc1ccccc1 100367050 IRSWEVIKRZNTFN-MBZLWVEMSA-N 386.499 6.148 30 40 GKEB Cc1ccc(NC2=C(c3ccc(C(F)(F)F)cc3)C(=O)c3ccccc32)cc1C 101091745 HCHSSUFRUQXYOF-UHFFFAOYSA-N 393.408 6.499 30 40 GKEB CC(C)CN(CC(C)C)/C(=N/c1ccccc1)C(c1ccccc1)c1ccccc1 109333787 PVVFUCUKJAOPFD-ZQHSETAFSA-N 398.594 7.163 30 40 GKEB COc1ccc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]3(C)C2=O)cc1 245241831 QMUTWRBFFVDYDU-ZEMGRZRJSA-N 388.507 5.520 30 40 GKEB O=C(COc1ccc(/C=N\c2cccc(Cl)c2)cc1)Nc1cccc(Cl)c1 408804982 ICMYKRKPFJXURE-CFRMEGHHSA-N 399.277 5.762 30 40 GKEB O=[N+]([O-])c1cccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)c1 408977402 IRVWHCBMQUNEQW-OEAKJJBVSA-N 391.496 6.517 30 40 GKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C(Cl)(Cl)Cl)c2C#N)C1 695802 ZNKOYPSJHONJJY-MRVPVSSYSA-N 379.740 5.079 30 40 GKEB CCOc1cc(Br)cc(/C=N/c2cc(C(C)(C)C)ccc2O)c1O 1228521 HZGCXUDUDIIWLS-SRZZPIQSSA-N 392.293 5.307 30 40 GKEB CCN(CC)c1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2CCCC3=O)cc1 2278739 HVNSIXLLFGCHTG-HHHXNRCGSA-N 396.534 6.359 30 40 GKEB CC(C)(C)[C@@H]1N(C#Cc2ccccc2)C(c2ccccc2)=NN1c1ccccc1 5379747 AOAYNIJFIGETMV-RUZDIDTESA-N 379.507 5.552 30 40 GKEB O=C(Nc1ccc(/N=C/c2cc(Cc3ccccc3)ccc2O)cc1)c1ccco1 5603727 ZQBOEVGINZSESC-YZSQISJMSA-N 396.446 5.579 30 40 GKEB CC1C/C(=C/c2cccc3ccccc23)C(=O)/C(=C/c2cccc3ccccc23)C1 6459625 KNBJEGHCMCXVDN-BCRMPINCSA-N 388.510 7.459 30 40 GKEB C=CCn1c(SCc2cccc(F)c2)nnc1[C@@H](C)Oc1ccc(C)cc1 13866866 BJORMEIHBJGBKK-MRXNPFEDSA-N 383.492 5.344 30 40 GKEB C=CCn1c(SCc2cccc(Cl)c2)nc2c([nH]c3ccccc32)c1=O 16890320 VYAUKEQEEDAZRG-UHFFFAOYSA-N 381.888 5.010 30 40 GKEB N#Cc1ccc(C(=O)Nc2ccccc2Oc2ncc(Cl)cc2Cl)cc1 58987407 MICCYEOISZRUHZ-UHFFFAOYSA-N 384.222 5.305 30 40 GKEB CCCCCCCCNCc1ccc(OCc2ccc(Cl)nc2)c(OC)c1 102561706 HXDYTMSPWYXFNN-UHFFFAOYSA-N 390.955 5.773 30 40 GKEB c1ccc(N=NC(=NNc2ccc(-c3ccccc3)cc2)c2ccccc2)cc1 299888525 MZVXKNNJFCONRG-UHFFFAOYSA-N 376.463 6.911 30 40 GKEB CC(C)(C)c1cccc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1 575242747 JOFLGNBJDPKCIM-UHFFFAOYSA-N 380.250 5.635 30 40 GKEB C=C(C)Cn1c(SCCC)nc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 2066431 LTVRMYOBGSFANV-CQSZACIVSA-N 390.618 5.687 30 40 GKEB CCC(=O)Oc1ccc2oc3c(c2c1/C=N/c1ccc(Cl)cc1)CCCC3 2288755 SEYIOVREXKILHR-ZMOGYAJESA-N 381.859 6.031 30 40 GKEB COc1ccc2oc(-c3ccc(/N=C/C=C/c4ccccc4[N+](=O)[O-])cc3)nc2c1 3032352 BGYFUJXIOBKZQZ-UNURKUBWSA-N 399.406 5.827 30 40 GKEB C=CCN1C(=O)/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S 3044178 SKJHALSNYVENCQ-GDNBJRDFSA-N 395.427 5.353 30 40 GKEB COc1ccc(/C=N/CC[C@H](c2ccccc2OC)[C@@H]2CCOC(C)(C)C2)cc1 4027012 WUVVKZOGORTHGC-WFYAKCOTSA-N 395.543 5.502 30 40 GKEB biogenic Cc1cc(/C=N/c2ccc(Cl)c(C(=O)O)c2)c(C)n1-c1cccc(Cl)c1 4740748 UIPFJMJQEYXSDZ-FOKLQQMPSA-N 387.266 5.850 30 40 GKEB N#Cc1c(NC(=O)CSc2nc3ccccc3s2)sc2c1CCCCC2 6627808 WCKXEFWNINQRAR-UHFFFAOYSA-N 399.566 5.229 30 40 GKEB O=S(=O)(/N=C(\Nc1ccc2ccccc2c1)c1ccccc1)c1ccccc1 12378372 ZVYUUCQCLKUWIN-UHFFFAOYSA-N 386.476 5.087 30 40 GKEB Cc1cc2ncn(-c3cccc(-n4cnc5cc(C)c(C)cc54)c3C#N)c2cc1C 12517178 GFZVDRXMXFTGLR-UHFFFAOYSA-N 391.478 5.470 30 40 GKEB C=CCN(C(=O)Cc1nc(-c2ccccc2)oc1C)c1nc2ccccc2s1 12825522 GOAXJIHJARFYCK-UHFFFAOYSA-N 389.480 5.021 30 40 GKEB COc1cc(NC(=O)c2ccccc2-c2ccccc2C#N)c(OC)cc1Cl 14632787 ZCSIGFUOGFPVOY-UHFFFAOYSA-N 392.842 5.148 30 40 GKEB C=CCOc1ccc(/C=C2/S/C(=N\c3ccc(CC)cc3)N(C)C2=O)cc1 17077434 HJCCBIOUASZVDY-OCIPIQTLSA-N 378.497 5.048 30 40 GKEB CC(C)(C)C(=O)Oc1ccc(C(=O)c2ccccc2-c2cccc(C#N)c2)cc1 26897508 RREDIGWNBSQTIW-UHFFFAOYSA-N 383.447 5.408 30 40 GKEB CC(=O)c1c(C)n(-c2ccc(C)cc2)c2cc(Br)c(OCC#N)cc12 68755319 DQINBCSGVZEPNJ-UHFFFAOYSA-N 397.272 5.115 30 40 GKEB C#CC[N+](CCO)(CCO)CCCCCCCCCCCCCCCCCC 73387810 HHZVXJSJLAADFK-UHFFFAOYSA-N 396.680 5.683 30 40 GKEB O/C(CN(Cc1cccs1)C[C@H]1CCCO1)=N\c1ccc2ccccc2c1 82055652 HCNFGBRMJVYABV-HXUWFJFHSA-N 380.513 5.171 30 40 GKEB C=CCSc1ccccc1C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C 223355320 DNTLVJSKPFVIHG-KRWDZBQOSA-N 383.557 5.896 30 40 GKEB Cc1ccc(-n2c(C)cc(/C=C/C(=O)c3ccccc3)c2C)cc1Br 408619071 FVPAOVFQAITMND-ZRDIBKRKSA-N 394.312 6.061 30 40 GKEB CCc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(C4CCCC4)c3C)S2)cc1 408778309 DEDLTRHTNLYRDE-STZFKDTASA-N 393.556 5.674 30 40 GKEB CC[n+]1c(/C=C/c2cc(C#N)n3c2sc2ccccc23)sc2ccccc21 685944618 XTJNHNCCOXCJLL-UHFFFAOYSA-N 386.525 5.718 30 40 GKEB C(=N/N=c1/[nH]c2ccccc2s1)\c1cn(Cc2ccccc2)c2ccccc12 1859226 NXTZJHJDJQNSQI-ZVHZXABRSA-N 382.492 5.167 30 40 GKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3)c2C#N)C1 2742395 XUXSZQIQNGLJAX-CQSZACIVSA-N 386.948 6.067 30 40 GKEB O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 6475793 YRVXOSOINMTCFR-HXUWFJFHSA-N 389.838 5.123 30 40 GKEB CCCCSc1nc(-c2ccc(OCC)cc2)cc(C(F)(F)F)c1C#N 6708823 REZWRXZWBAFUJN-UHFFFAOYSA-N 380.435 5.930 30 40 GKEB Cc1ccc(/N=C/c2cc(Cl)ccc2OS(=O)(=O)c2ccc(C)cc2)cc1 8371843 RLXUADKPYXJAAP-OEAKJJBVSA-N 399.899 5.475 30 40 GKEB Cc1nn2c(c1-c1ccc(Cl)cc1)NC1=C(C(=O)CCC1)[C@H]2c1ccccc1 8559462 FSNNZKQRSGBKAO-JOCHJYFZSA-N 389.886 5.534 30 40 GKEB Clc1cccc(COc2ccccc2/C=N/NCc2ccccc2Cl)c1 8811284 ILXJVOMERLUAAT-AFUMVMLFSA-N 385.294 5.696 30 40 GKEB Cc1ccc(OCc2ccc(-c3nc(C#N)c(NCCc4ccccc4)o3)o2)cc1 8844491 FIDLPLOQEWXUOB-UHFFFAOYSA-N 399.450 5.348 30 40 GKEB O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccco1)n1c(nc3ccccc31)N2 9110473 DJCDGSVNDVIMCJ-WAIKUNEKSA-N 381.435 5.045 30 40 GKEB C#CCSc1nc2ccccc2n1C(=O)c1sc2ccccc2c1Cl 12342725 AXGHTHYXPWYOCG-UHFFFAOYSA-N 382.897 5.318 30 40 GKEB CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1cc(C)ccc1C 13306288 NEILYGQQDINRIR-QHQVFXOCSA-N 395.553 5.297 30 40 GKEB CCCCCCCCCCC(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 104257020 BMUUTFIKYMLAHY-UHFFFAOYSA-N 380.528 6.610 30 40 GKEB CCCCCCCNCc1cc(Cl)c(OCc2cccs2)c(OC)c1 105246157 XHZCTOBYUHDXFI-UHFFFAOYSA-N 381.969 6.049 30 40 GKEB N#Cc1cc(N)c(Oc2ccccc2Cl)n1Cc1ccc(Cl)cc1Cl 225881355 RUTKKVQBKLAMRR-UHFFFAOYSA-N 392.673 5.743 30 40 GKEB CCCCCCCc1nnc(SCC(=O)Nc2ccccc2Cl)n1CC 408560099 BYEVHTZWNULUCS-UHFFFAOYSA-N 394.972 5.195 30 40 GKEB CCN1C(=O)/C(=C\c2c(F)cccc2Cl)S/C1=N\c1c(C)cccc1C 408915386 ZZAMNIJCUUKRCH-BPRJVQAXSA-N 388.895 5.720 30 40 GKEB C=CCc1cc(CNc2ccccc2C)cc(OCC)c1OCc1ccccc1 409122112 ZFRGNNCZIQWCBK-UHFFFAOYSA-N 387.523 6.313 30 40 GKEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(-c3ccccc3C(F)(F)F)o2)cc1 409213733 SVEXACKDTMYXIB-SSDVNMTOSA-N 375.306 5.320 30 40 GKEB C=CCn1c(SCc2ccc(C)c(C)c2)nc2sc3c(c2c1=O)CCCC3 2380202 OJAYJIGGIAKNKU-UHFFFAOYSA-N 396.581 5.432 30 40 GKEB CC(C)(C)c1cc(/C=N/c2cc(Cl)c(O)c(Cl)c2)cc(C(C)(C)C)c1O 2573127 RGFJPZOGXLLJLK-BHGWPJFGSA-N 394.342 6.750 30 40 GKEB O=[N+]([O-])c1cc(Br)c(O)c(/C=N/c2ccc(Cl)c(Cl)c2)c1 3153250 IXPVPSQGKFDLQE-UBKPWBPPSA-N 390.020 5.120 30 40 GKEB Cc1nc(SCC(=O)Nc2ccc3ccccc3c2)c(C#N)c(C)c1Cl 3617395 RNPSMUPOVDZIHH-UHFFFAOYSA-N 381.888 5.108 30 40 GKEB Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)C23CC4CC(CC(C4)C2)C3)n1 4179107 QKNQRDRBZZWDCP-UHFFFAOYSA-N 394.462 5.158 30 40 GKEB Cc1ccc(S(=O)(=O)O[C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]2c2ccccc2)cc1 5048862 MONPOCASPAGPNP-KSEOMHKRSA-N 386.557 5.699 30 40 GKEB in-vitro C=CCOc1c(Cl)cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1Cl 6295832 HXXLVFCDFHWXTJ-MFKUBSTISA-N 398.289 7.101 30 40 GKEB C=CCN(C(=O)c1cc(C2CC2)nc2ccccc12)c1nc2c(s1)CCCC2 6553554 KGNBJRRMZRXCOV-UHFFFAOYSA-N 389.524 5.280 30 40 GKEB CC[C@@H](C)Oc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 7071416 WFXRPKCQZWKUJI-IALAJMTQSA-N 394.584 6.699 30 40 GKEB CC(=C\c1ccccc1)/C=C1/S/C(=N/c2ccccc2C(F)(F)F)NC1=O 9494679 OGCBAXBGSMUZBR-QKIOLIMFSA-N 388.414 5.543 30 40 GKEB C=CCn1c(=S)[nH]c2cc(C(=O)Nc3ccc([C@@H](C)CC)cc3)ccc2c1=O 12610078 UQNVNAITFQNMCG-AWEZNQCLSA-N 393.512 5.011 30 40 GKEB Cc1ccc2[nH]c(=O)c(C(=O)/C=C/c3ccccc3C)c(-c3ccccc3)c2c1 46085320 NQTKRWOOHRDKAC-FYWRMAATSA-N 379.459 5.708 30 40 GKEB FC(F)(F)c1cccc(OCCO/N=C2/COc3ccc4ccccc4c32)c1 100914084 YMCYGNQVZHGFEJ-BWAHOGKJSA-N 387.357 5.051 30 40 GKEB CCN1c2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2[C@H](C)CC1(C)C 198095733 NAQRVEYSONKSKF-WDMWBOBFSA-N 398.550 7.342 30 40 GKEB COc1cc(/C=N/c2cccc(Cl)c2)ccc1OCc1ccc(C(=O)O)cc1 408967206 QRWHKRRBRMDMRA-ZMOGYAJESA-N 395.842 5.376 30 40 GKEB Fc1cccc(Cn2ccc3cc(/C=N/c4cccc(Cl)c4Cl)ccc32)c1 409235276 ZJJOQRLQNOMDLQ-LGJNPRDNSA-N 397.280 6.886 30 40 GKEB Brc1ccc(COc2ccccc2/C=N/Nc2ccccc2)cc1 409252484 CAADIVVIVJEMMW-HYARGMPZSA-N 381.273 5.474 30 40 GKEB N#Cc1ccc(CSc2nc3ccccc3c3nc(-c4ccccc4)nn23)cc1 2969590 OKGBERNRTNGIMR-UHFFFAOYSA-N 393.475 5.108 30 40 GKEB O=[N+]([O-])c1cc(Br)c(O)c(/C=N/c2cccc(Cl)c2Cl)c1 3090374 UYCFDGROVLZDKH-UBKPWBPPSA-N 390.020 5.120 30 40 GKEB O=[N+]([O-])c1cccc(/C=N/c2ccc(-c3nc4ccccc4s3)c(O)c2)c1O 3192720 DIZPQGJPMFZJMN-SRZZPIQSSA-N 391.408 5.033 30 40 GKEB Cc1ccccc1/C=C/C(=O)c1c(C)nc2ccc(Cl)cc2c1-c1ccccc1 8570780 DBKNBNPOVKNBNJ-NTCAYCPXSA-N 397.905 7.068 30 40 GKEB Cc1ccc(SCCCC(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1 10217872 XKRGMBHDCNTDIX-UHFFFAOYSA-N 393.537 5.501 30 40 GKEB C[C@H](O/N=C/c1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 12619502 JMUZFDWVLBFPTI-ZXCVBSDHSA-N 393.314 5.669 30 40 GKEB O=C1CCCC2=C1[C@H](c1ccco1)N(Cc1ccccc1F)c1ccccc1N2 15826343 RYGNOYMIFMAPTR-DEOSSOPVSA-N 388.442 5.599 30 40 GKEB COc1cc(/C=C/C(=O)c2ccc(N3CCCCCC3)cc2)cc(Cl)c1O 32639089 RACFHEJVQMFMKF-IZZDOVSWSA-N 385.891 5.331 30 40 GKEB C=CCSc1ncc(-c2ccc(Br)cc2)n1Cc1ccccc1 44085470 JCWUZAWXMUFALS-UHFFFAOYSA-N 385.330 5.639 30 40 GKEB Cc1ccccc1C(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N 170494048 LGNFHHHQOAECME-UHFFFAOYSA-N 378.431 6.046 30 40 GKEB CCCCCCOc1ccc(/C=C2/SC(=Nc3ccccc3)NC2=O)cc1 408541742 HLHVFCWMWWKUHB-CAPFRKAQSA-N 380.513 5.537 30 40 GKEB CCOc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCC(C)C)cc3)S2)cc1 408739758 ABUBBMBTPZMRAE-MOSHPQCFSA-N 396.512 5.012 30 40 GKEB Cc1cc(/C=N\c2ccccc2Cl)c(C)n1-c1ccc(Br)cc1 408777673 FQHDKWXVYHCLSU-UUYOSTAYSA-N 387.708 6.261 30 40 GKEB CC(=O)Oc1ccc(/C=N\c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 409216820 LVPHPVWBFALQQE-ACMDDDSKSA-N 380.513 5.447 30 40 GKEB CCOc1cc(/C=N/c2ccccc2C)cc(Cl)c1OCc1ccccc1F 6959939 COGZGGOSQZLHNG-VULFUBBASA-N 397.877 6.516 30 40 GKEB CCCCOc1ccc([C@@H]2C(C(C)=O)=C(C)Nc3nc4ccccc4n32)cc1 20672555 CXVWXNWICBVCRH-JOCHJYFZSA-N 375.472 5.093 30 40 GKEB CCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2cc(C)ccc2C)cc1 98001402 QEQKBGWIUXVXTO-UHFFFAOYSA-N 394.559 6.635 30 40 GKEB biogenic CC1(C)[C@H]2CC[C@@]1(C)/C(=N/N=C1\NC(=O)/C(=C\c3ccc(Cl)cc3)S1)C2 100761303 PYCCCDOXZRYTIF-QDMUBWQVSA-N 387.936 5.102 30 40 GKEB O=C(/N=C1\c2ccccc2CN1c1ccc2ccccc2c1)c1ccc(Cl)cc1 102946018 GBYRYFBNAIZJTO-SOYKGTTHSA-N 396.877 6.100 30 40 GKEB C=CCOc1ccc(NC(=S)NCCCSCc2ccccc2F)cc1 225613258 DCCVHBCCOKHICE-UHFFFAOYSA-N 390.549 5.000 30 40 GKEB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)c(C#N)c1 225760421 CHTGEDNUCQYLEB-IBGZPJMESA-N 390.527 5.885 30 40 GKEB Cc1ccc(C(=O)/C=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 408691560 FCSXVMNPTNRBNX-ACCUITESSA-N 397.301 6.777 30 40 GKEB CC(C)NC(=O)COc1ccc(/C=N\c2ccc(Oc3ccccc3)cc2)cc1 408800019 MVPDXSYGDZJJMF-XYGWBWBKSA-N 388.467 5.133 30 40 GKEB CCCCN1C(=O)/C(=C\c2cccc(OC)c2O)S/C1=N\c1ccc(C)cc1 408908476 FCJVAGJCKZIPEZ-XGHAMVSDSA-N 396.512 5.113 30 40 GKEB CCN1C(=O)/C(=C\c2c(C)cc(C)cc2C)S/C1=N/c1ccc(OC)cc1 409234389 WFFKIVGSHSFMGF-SAPPFYIZSA-N 380.513 5.244 30 40 GKEB Cc1ccc(/N=C/c2c(C)c(Cl)c(C)c(Br)c2O)cc1Cl 1882864 IUABWOMJAVXZRG-IFRROFPPSA-N 387.104 6.137 30 40 GKEB C=C1C(Cl)=C(c2ccc(C)cc2)Oc2ccccc2[C@@H]1c1ccc(F)cc1 2373490 PFOBAAIARNFSDM-QFIPXVFZSA-N 376.858 6.822 30 40 GKEB O=C(Nc1cc(/N=C/c2ccccc2F)c(Cl)cc1Cl)c1ccccc1 3068159 PEVVAHJHVRGVLA-WYMPLXKRSA-N 387.241 6.135 30 40 GKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccccc1C(F)(F)F 4004706 GUOBSFMECVXLAJ-FQEVSTJZSA-N 386.417 5.927 30 40 GKEB CC[C@H](C)Oc1ccc(/C=C2/S/C(=N\c3ccccc3)NC2=O)cc1Cl 4545784 GXIFCQILLXOKNT-HTMJNSLASA-N 386.904 5.409 30 40 GKEB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1)C1=C(CC(C)(C)CC1=O)N2 4665058 PBCGZUSOGHOXAP-QFIPXVFZSA-N 383.495 5.381 30 40 GKEB O=C1N/C(=N/c2ccccc2F)S/C1=C/c1ccc(-c2cccc(Cl)c2)o1 5376591 WBQYRHNFOAXHNT-WOJGMQOQSA-N 398.846 5.631 30 40 GKEB COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(C)C)c(OC)c2)cc1OC 7744539 NDKGGKWTWHSAJL-SOFGYWHQSA-N 390.863 5.049 30 40 GKEB Cc1ccc(/N=C/c2cc(Br)ccc2OCc2ccccc2)cc1 8371835 DZGHSQILKFNEFP-OEAKJJBVSA-N 380.285 6.087 30 40 GKEB CCCCCCCCOc1ccc(-c2ccc(CCCCCCCC)cn2)cc1 8398006 JBNLUJVDDCTYMT-UHFFFAOYSA-N 395.631 8.391 30 40 GKEB C/C=C/Oc1ccc(C(=O)/C(=C\c2ccc(F)cc2)c2nc3ccccc3o2)cc1 11614467 QYJBCBLWOADGHK-YTDNHQLISA-N 399.421 6.303 30 40 GKEB Cc1nc(S[C@H](C)c2nnc(-c3cccc(Cl)c3)o2)c(C#N)c(C)c1C 12542978 AMLGBOQMWREKMN-CYBMUJFWSA-N 384.892 5.435 30 40 GKEB Cc1ccc(-c2c[n+](CC(=O)c3ccc(C4CCCCC4)cc3)c3n2CCC3)cc1 13770120 RTUHEFFNXKQTLQ-UHFFFAOYSA-N 399.558 5.628 30 40 GKEB c1ccc(/N=C2/SC(=NNc3ccccc3)S/C2=N/c2ccccc2)cc1 103711089 UCCZGUNZUWTDPB-WDAKLKSISA-N 388.521 6.310 30 40 GKEB COc1ccc(/N=C/c2cc(C)cc(/C=N/c3ccc(OC)cc3)c2OC)cc1 103749731 RROAKGKIJLKWOP-RYQLWAFASA-N 388.467 5.522 30 40 GKEB CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](C)CC(=O)N(C)C 104109694 YPGHOOFZSDFRBX-MLUDITRGSA-N 395.628 6.434 30 40 GKEB CC[C@H](C)N1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)S/C1=N\c1ccc(C)cc1 408916579 YCHSIUFYQITUNL-OTFYDCBPSA-N 395.484 5.306 30 40 GKEB Cc1ccc(/N=C2\S/C(=C/c3ccccc3OCC(C)C)C(=O)N2C)cc1 408916822 ZJOAZFHCTXIZFE-DYEBMTOPSA-N 380.513 5.264 30 40 GKEB CC/N=C1/S/C(=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C(=O)N1CC 408929540 KSIFDWVBBRIXID-SAPPFYIZSA-N 381.545 5.023 30 40 GKEB COc1ccccc1/N=C/c1cc(C)n(-c2ccc(Cl)c(C(=O)O)c2)c1C 408953595 WSUCHPSQCICNOT-FSJBWODESA-N 382.847 5.205 30 40 GKEB COC(=O)c1ccc(Cl)c(/N=C/c2ccc(-c3ccc(C(=O)O)cc3C)o2)c1 408960596 HCMXOBSPNOIYRM-FOKLQQMPSA-N 397.814 5.144 30 40 GKEB COc1cccc(/C=N/c2ccc(-c3cc4ccccc4o3)cc2)c1OC(C)C 409009581 GJXMCTZCEOHRJA-WGOQTCKBSA-N 385.463 6.646 30 40 GKEB Cc1ccccc1/N=C\c1cccc(OCc2ccc(Br)cc2)c1 409215488 ZUJSEBRIPZDPGO-UCQKPKSFSA-N 380.285 6.087 30 40 GKEB Cc1ccc(Sc2ccc(/C=N/c3ccc(-c4ccccc4)cc3)cc2)cc1 409246993 FPRISCAECQQLCA-ZXVVBBHZSA-N 379.528 7.564 30 40 GKEB CN(/N=C/c1ccccc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 4863161 DPDARTLLDLDRAS-LFVJCYFKSA-N 385.492 6.073 30 40 GKEB Cc1ccc([C@H](C)C2=C(c3c(N)ccc4ccccc34)CC(C)(C)CC2=O)cc1 6546575 AVVRBCNVADNXFH-SFHVURJKSA-N 383.535 6.677 30 40 GKEB CCc1cccc2c(/C=N/c3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)c[nH]c12 8088017 GSDHQGJCBKTMFO-HDFIIFABSA-N 389.568 6.565 30 40 GKEB CCCCCCCCCC[N+](C)(C)CCOC(=O)C12CC3CC(CC(C3)C1)C2 8214481 NMRJDSZFSHRJHS-UHFFFAOYSA-N 392.648 5.963 30 40 GKEB in-man N#Cc1cccc(Cn2cc(/C=N/NCc3ccc(Cl)cc3)c3ccccc32)c1 10119152 SGFQWNHZVMPPAY-RWPZCVJISA-N 398.897 5.338 30 40 GKEB ClC12C[C@H]3C[C@@H](C1)CC(C/N=C\c1cccc(Oc4ccccc4)c1)(C3)C2 100846419 VDBYDPWWFUICLK-QOERIPETSA-N 379.931 6.476 30 40 GKEB CCN1c2cc(C)c(/C=N\Nc3ccc(C(=O)O)cc3)cc2C(C)=CC1(C)C 208525471 FBCQMNVCNXVGMV-OYKKKHCWSA-N 377.488 5.161 30 40 GKEB C=C(C)COc1cccc(C(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1 260588449 JSUSWCYWJLRVLG-VQTJNVASSA-N 392.543 5.369 30 40 GKEB CCOc1cc2c(cc1/C=N\c1ccc(Oc3ccccc3Cl)cc1)OCO2 409103178 XFZKELHDQHSIRC-CFRMEGHHSA-N 395.842 6.010 30 40 GKEB CN(C)c1ccc(/C=N/CC[C@H](Cc2ccccc2)[C@H]2CCOC(C)(C)C2)cc1 5377646 WLIRZHQCAMPRQX-CEKAKVLFSA-N 392.587 5.626 30 40 GKEB C=CCOc1ccc(/C=C2\S/C(=N\c3ccc(CCCC)cc3)NC2=O)cc1 5551298 VPRMRRIWEMTELD-PGMHBOJBSA-N 392.524 5.486 30 40 GKEB CCc1ccc(/C=C2\S/C(=N\c3ccc(Cl)cc3Cl)NC2=O)cc1 5551622 NAZZPKMMXZETSB-SXGWCWSVSA-N 377.296 5.447 30 40 GKEB Clc1ccc2c(N/N=C/c3c4ccccc4cc4ccccc34)ccnc2c1 6548952 GPCWEKICQHIVGX-JFLMPSFJSA-N 381.866 6.641 30 40 GKEB Cc1ccc(C)c(/N=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c1 8368273 KEHFSORVUOBZID-XKZIYDEJSA-N 391.383 5.663 30 40 GKEB C/C(=N\Nc1cc(C)c2cc(Cl)ccc2n1)c1ccc(N2CCCCC2)cc1 12534186 JNUKRRIRRKUNON-YZSQISJMSA-N 392.934 6.023 30 40 GKEB C[C@@H](O/N=C/c1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 12619499 JMUZFDWVLBFPTI-GHONEHJGSA-N 393.314 5.669 30 40 GKEB CCOc1ccc(N/C(=N/C#N)SCc2ccccc2C(F)(F)F)cc1 13563042 ZPSKJKMCCNNYDV-UHFFFAOYSA-N 379.407 5.286 30 40 GKEB N#Cc1nc(C(c2ccccc2)c2ccccc2)oc1NCc1ccc(F)cc1 27562271 MKVKSNMEKBTIHZ-UHFFFAOYSA-N 383.426 5.478 30 40 GKEB CC[C@H](C)Oc1ccccc1/C=C1\SC(=Nc2ccc(C)cc2C)NC1=O 408605288 YGJSHRUFRILTLT-SMEDBKPVSA-N 380.513 5.372 30 40 GKEB Cc1ccc(-n2cccc2/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc1C 408967030 RRQUMFBAVHIQTB-DEDYPNTBSA-N 391.471 5.125 30 40 GKEB CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccc(-c3ccccc3)cc2)cc1OC 409384625 DPHLZERYHVOZAP-GNYKCMPYSA-N 393.914 6.944 30 40 GKEB CC(C)Oc1ccccc1C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575243115 QVYSAHASAJERBG-UHFFFAOYSA-N 382.222 5.125 30 40 GKEB N#Cc1ccc(-c2csc([C@H](C#N)C(=O)C[C@@]34CCCC[C@H]3C4(F)F)n2)cc1 585094033 YEWZIIFKKKRKNB-ZTNFWEORSA-N 397.450 5.074 30 40 GKEB Cc1ccc(O)c(/C=N/c2ccc3oc(-c4ccc5ccccc5c4)nc3c2)c1 3169621 KAISRJFRPPDCAB-CVKSISIWSA-N 378.431 6.413 30 40 GKEB CCOc1cc(/C=C2\C(=O)ON=C2c2ccccc2)ccc1OCc1ccccc1 4482268 VCRHIDQIGRXWFP-QNGOZBTKSA-N 399.446 5.009 30 40 GKEB N#Cc1cc2c(nc1SCC(=O)c1ccc(-c3ccccc3)cc1)CCCC2 5338514 DYGJHAZHJHIEHL-UHFFFAOYSA-N 384.504 5.474 30 40 GKEB CCSc1nc(-c2ccc(Br)cc2)cc(C(F)(F)F)c1C#N 6570296 BMXRUWJBCPQQHJ-UHFFFAOYSA-N 387.224 5.514 30 40 GKEB CCCCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC)n2)cc1 6708771 RUEIVSZUCUDMKG-UHFFFAOYSA-N 380.435 5.930 30 40 GKEB Cc1ccc(/C=C2/S/C(=N\c3cc(C(F)(F)F)ccc3Cl)NC2=O)o1 8550935 ADIDLEJVPHTZCH-NTUHNPAUSA-N 386.782 5.152 30 40 GKEB CC(C)(C)c1cc(O)c(/C=N/Nc2cccc3cccnc23)c(C(C)(C)C)c1 9426235 BZGFOTCNZKAUFP-CVKSISIWSA-N 375.516 5.981 30 40 GKEB CCCCCCCCCCCCCCCCN(CCO)C(=O)CCC(=O)O 100924211 BLPWJVJXABDGKN-UHFFFAOYSA-N 385.589 5.153 30 40 GKEB CCCCCCCCCc1ccc(O[C@@H](C)OCCOCCOCC)cc1 104158457 GBANMXYSFHVOTH-NRFANRHFSA-N 380.569 5.774 30 40 GKEB CCN1c2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2[C@@H](C)CC1(C)C 198095744 NAQRVEYSONKSKF-GBZINIMXSA-N 398.550 7.342 30 40 GKEB Cc1ccc(Oc2c(N)cc(C#N)n2Cc2ccc(Cl)cc2Cl)cc1C 225885895 ONGQPVUOTNATMR-UHFFFAOYSA-N 386.282 5.706 30 40 GKEB CCn1nccc1/C=C1\C[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]2(C)C1=O 253505382 LWLNXMRZXSNPHH-NTUXPXANSA-N 380.576 5.898 30 40 GKEB O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1c(O)ccc2ccccc12 408529529 ILXJZUVTGHAJHY-WQRHYEAKSA-N 380.856 5.090 30 40 GKEB CCOc1cc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)ccc1O 409380500 FSLHKIMONKPOJU-ZMOGYAJESA-N 388.379 5.526 30 40 GKEB CCCCCCCC(=O)Nc1nc(-c2ccc(Br)cc2)cs1 2081507 AXIXRAYSLPFCFR-UHFFFAOYSA-N 381.339 5.872 30 40 GKEB COc1cc(/C=C2\Cc3ccccc3C2=O)ccc1OCc1ccc(Cl)cc1 2649800 RZDRNZKYDOIDPP-XDHOZWIPSA-N 390.866 5.750 30 40 GKEB CCCCCCCCCCC(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2 2751643 NJNWOMYMHKYDBI-OAHLLOKOSA-N 378.582 5.441 30 40 GKEB C#CCSc1nc2ccc(OCC)cc2n1C(=O)/C=C/c1ccc(Cl)cc1 4114899 FORXJDZUMDTZDK-KPKJPENVSA-N 396.899 5.167 30 40 GKEB O=C(O)c1cc(-c2ccc(/C=N/Nc3nc4ccccc4s3)o2)ccc1Cl 5949183 HKJFLUKAWJKNNP-UFFVCSGVSA-N 397.843 5.354 30 40 GKEB Cc1c(Cl)cccc1/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 8278001 WFUSOTDWBFIZSQ-YDZHTSKRSA-N 380.831 5.886 30 40 GKEB CCCCCCCCOc1ccc(-c2nnc(CCCCCCC)s2)cc1 11027083 HQAUWNKCUHZKOE-UHFFFAOYSA-N 388.621 7.457 30 40 GKEB CC(C)c1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 19682461 JBNAJBGCXOCMFR-TURZUDJPSA-N 395.550 5.532 30 40 GKEB Cc1cc(C(F)(F)F)c(C#N)c(SCc2nc(-c3cccs3)oc2C)n1 36654405 NNVUSRTUZHLGGD-UHFFFAOYSA-N 395.431 5.598 30 40 GKEB Cc1ccc(N/C=C/C(=O)c2ccc(Br)cc2)c(Br)c1 44975011 KLXHTKWZIOCUAI-CMDGGOBGSA-N 395.094 5.329 30 40 GKEB CCCCCCCCCCCNc1c(C(=O)OCC)c(=O)[nH]c2ccccc12 97949636 QFJCCXSFXDNASC-UHFFFAOYSA-N 386.536 5.648 30 40 GKEB CCCCCCCCCCCCCCCCN1C(=O)[C@H]2CCCC[C@H]2C1=O 100309813 GRJFMCXINURLLD-SZPZYZBQSA-N 377.613 6.643 30 40 GKEB CCCCCCCCCCOc1ccc(/C=C2\SC(=S)NC2=O)cc1 100502718 UUPDEXWDQJZSEH-SDXDJHTJSA-N 377.575 5.695 30 40 GKEB CN(C)c1ccc(C=Nc2sc3c(c2C#N)CCCC3)cc1Br 254845851 NCCPBOPLGMOUIX-UHFFFAOYSA-N 388.334 5.078 30 40 GKEB CC(/C=C/c1ccccc1F)=N\Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 409053149 LJHMEUKJXZLZON-OCXZGDLRSA-N 382.420 5.359 30 40 GKEB Brc1cccc(OCCON=C2c3ccccc3-c3ccccc32)c1 2648174 PYBKYICTJDEKEP-UHFFFAOYSA-N 394.268 5.278 30 40 GKEB COc1ccccc1/C=C1\S/C(=N\c2ccccc2)N(c2ccccc2)C1=O 3030774 FDRCOMCBXNHQEH-BLOQEJBCSA-N 386.476 5.504 30 40 GKEB N#Cc1c(/N=C/c2ccc(Cl)cc2)oc(-c2cccs2)c1-c1cccs1 3221000 NLGCRSAHOADEIQ-FSJBWODESA-N 394.908 7.012 30 40 GKEB C=CCNc1sc(C(=O)c2ccccc2)c(N)c1-c1nc2ccccc2s1 3237179 PSBAVGZWZWTDPK-UHFFFAOYSA-N 391.521 5.436 30 40 GKEB Cc1ccc(S(=O)(=O)O[C@H]2C[C@H](C(C)(C)C)CC[C@@H]2c2ccccc2)cc1 5048861 MONPOCASPAGPNP-FCEUIQTBSA-N 386.557 5.699 30 40 GKEB in-vitro C=CCOc1c(Cl)cc(CNC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)cc1OC 8534505 DNCBJAVAUIOYNF-SVIALIIXSA-N 389.967 5.752 30 40 GKEB Cc1ccccc1/N=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 8570824 QFRQTLDJENYITP-BRJLIKDPSA-N 388.269 6.771 30 40 GKEB FC(F)(F)c1cnc(C/C=N\OCc2c(Cl)cccc2Cl)c(Cl)c1 12956167 KTMOVHTXQIPMGX-FPQMYIDKSA-N 397.611 5.806 30 40 GKEB CC1CCN(C(=S)c2ccc(OCc3ccccc3C#N)c(Cl)c2)CC1 33794999 HDMAGBXQGBPHNS-UHFFFAOYSA-N 384.932 5.198 30 40 GKEB COc1ccccc1/N=C/c1cc(C)n(-c2ccc(C(=O)O)c(Cl)c2)c1C 59249288 IRJPKIIATSNINF-FSJBWODESA-N 382.847 5.205 30 40 GKEB C#Cc1ccc(/C(=C(/c2ccccc2)c2ccc(C#C)cc2)c2ccccc2)cc1 169377716 YQFHNLOXRRWTLR-FLWNBWAVSA-N 380.490 6.657 30 40 GKEB CC(=O)Nc1ccc(/N=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C=C3C)cc1 223521513 LFPRVJVFVXBGAZ-CVKSISIWSA-N 389.543 6.114 30 40 GKEB CCOc1ccccc1/C=C1/S/C(=N\c2c(C)cccc2C)N(CC)C1=O 408914729 XHYALRJKVIHOHW-XGHAMVSDSA-N 380.513 5.326 30 40 GKEB O=C(Nc1ccccc1)c1c(/N=C/c2ccc(O)cc2O)sc2c1CCCC2 408915702 QPRAVHYKEJBGOU-YDZHTSKRSA-N 392.480 5.041 30 40 GKEB CCCCc1ccc(/N=C/c2ccc(O)c(I)c2)cc1 408965578 WBEOMOQRRNRUNN-XDHOZWIPSA-N 379.241 5.090 30 40 GKEB N#Cc1nc(Cc2cccc3ccccc23)oc1NCc1cccc2ccccc12 526052509 VTRDTBWXJYDGJV-UHFFFAOYSA-N 389.458 6.056 30 40 GKEB COc1cc2c(cc1OC)[C@H](c1ccc(F)cc1)C1=C(CC(C)(C)CC1=O)N2 816104 VUACYRVXLVZVEM-NRFANRHFSA-N 381.447 5.044 30 40 GKEB COc1ccc(/C=C/C(=O)C(C(=O)c2ccccc2)=C2SCCCS2)cc1 1083122 XIRPSJYYKSQBND-JLHYYAGUSA-N 396.533 5.242 30 40 GKEB O=C(Oc1ccccc1/C=C1/Sc2ccccc2C1=O)c1ccccc1Cl 2246809 RDQDYSIKGLXSOQ-DEDYPNTBSA-N 392.863 5.889 30 40 GKEB Fc1cccc(Oc2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)c1 3041553 HDORTJRTLBQLKC-UHFFFAOYSA-N 376.231 5.599 30 40 GKEB O=[N+]([O-])c1ccc(/C=N/c2ccc3nc(-c4ccc5ccccc5c4)oc3c2)cc1 3102977 RWUNHRKLDRTVDT-MFKUBSTISA-N 393.402 6.307 30 40 GKEB Cn1c(-c2ccccc2)c(/C=N/Nc2ccc(Cl)c(Cl)c2)c2ccccc21 5694623 PKNMGGPLOPRDNL-AFUMVMLFSA-N 394.305 6.598 30 40 GKEB Cn1c(-c2ccccc2)c(/C=N/Nc2nncc3ccccc23)c2ccccc21 6287731 BSYQHRYPXFORGL-WGOQTCKBSA-N 377.451 5.235 30 40 GKEB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)/C=C/c1ccc(C#N)cc1 7990816 PWCGIWSYPKDUOF-AWNIVKPZSA-N 376.843 5.143 30 40 GKEB Cc1ccc(/N=C/c2cc(Br)ccc2OCc2ccccc2)c(C)c1 8368600 NQRMANSNNYJIFC-ZVHZXABRSA-N 394.312 6.396 30 40 GKEB CC(=O)N(c1nc(/C=C/C(=O)c2ccc(F)cc2)cs1)c1c(C)cccc1C 12975006 ROOXUQMGHDBWRD-VAWYXSNFSA-N 394.471 5.480 30 40 GKEB C=CCOc1cccc(-c2nc3c(c(=S)[nH]2)Cc2cc(Cl)ccc2O3)c1 20380635 JBERLGBNFQLPFH-UHFFFAOYSA-N 382.872 5.721 30 40 GKEB CCC(C)(C)[C@H]1CCc2sc3ncnc(N/N=C\c4ccc(F)cc4)c3c2C1 34106269 JWXYOWBUMUDXNB-AQDQEMTMSA-N 396.535 5.818 30 40 GKEB COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@]2(C)C(=O)/C(=C/c3ccc(F)cc3)C[C@@H]12 36614421 XDSUORUHJZFDRR-IPZCSDAYSA-N 390.498 5.953 30 40 GKEB COc1cccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c1 59245883 RANJDLRVVIEEJY-BUVRLJJBSA-N 390.508 5.638 30 40 GKEB CCCCCCCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(C(C)C)cc2)cc1 97940382 ULISTWRQPPOKIQ-HXUWFJFHSA-N 397.559 6.565 30 40 GKEB Fc1cccc(/C=N\Cc2cc(-c3ccc(Cl)cc3)oc2-n2cccc2)c1 100417651 RUAMLYSGDDWJDX-QFEZKATASA-N 378.834 6.149 30 40 GKEB C=CCN1C(=O)/C(=C/c2cc(/N=N/c3ccccc3)ccc2O)SC1=S 103428308 RAHKICODFUWOPE-WIQPNEMMSA-N 381.482 5.195 30 40 GKEB CCC(C)(C)[C@@H]1CCC(=O)/C(=C/Nc2ccc(Oc3ccccc3Cl)cc2)C1 408563950 SNNRQDZENOREQK-IECKCJDVSA-N 397.946 7.234 30 40 GKEB Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1cccc(Cl)c1 408753660 HCKHLNUMPXLBSN-PCLIKHOPSA-N 393.918 5.335 30 40 GKEB CCOc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)ccc1OC 409084813 YAWJWCIIIFEBSO-MMDHUZEPSA-N 396.556 5.929 30 40 GKEB COc1cccc(/C=N/c2ccc(F)cc2F)c1OCc1ccc(C(=O)O)cc1 409187211 NMLOEOLFZDYYJG-BRJLIKDPSA-N 397.377 5.001 30 40 GKEB Cc1ccc(COc2ccc3ccccc3c2/C=N/c2ccc(C)c(C)c2)cc1 409209214 GYGANAUOWIHCPU-OGLMXYFKSA-N 379.503 7.095 30 40 GKEB Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(O)c2)cc1 974255 UFGIYFPSYNNRJK-BCHFMIIMSA-N 396.490 5.680 30 40 GKEB C#CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(CCCC)cc3)c2C)C1=O 2080738 ZLVYYZYUIBZVDJ-RCCKNPSSSA-N 392.524 5.106 30 40 GKEB COc1ccc(/N=C/c2ccc(OC)c(COc3cccc(C)c3C)c2)cc1 2266516 NCKAVDUWMWJADH-MFKUBSTISA-N 375.468 5.650 30 40 GKEB CC(C)(C)c1ccc(O)c(/N=C/c2ccc(-c3ccc(Br)cc3)o2)c1 3068826 XIYDLOUSKIJKFI-YDZHTSKRSA-N 398.300 6.463 30 40 GKEB Cc1cc(/C=C2\S/C(=N/c3ccc(F)cc3)NC2=O)c(C)n1-c1ccccc1 4704723 ACVMTTFMUBASMH-MOSHPQCFSA-N 391.471 5.125 30 40 GKEB C=CCn1c(COc2ccc(C)cc2)nnc1SCc1ccc(Cl)cc1 8318006 UGSULIHNZWIDFC-UHFFFAOYSA-N 385.920 5.297 30 40 GKEB COc1cc(/C=N/NCc2ccc(Cl)cc2)ccc1OCc1ccc(C)cc1 10119051 MEVQRBXCDPZMCO-CVKSISIWSA-N 394.902 5.360 30 40 GKEB O=C1C[C@@H](c2cccc(F)c2)S/C(=N\c2ccccc2)N1c1ccccc1 17043620 SBWUCTYDMXDFEW-HNWIBAKRSA-N 376.456 5.725 30 40 GKEB O=C(ON=C1c2ccccc2-c2ccccc21)c1cccc(Br)c1 32116383 NZQJQDNNPSPNJJ-UHFFFAOYSA-N 378.225 5.039 30 40 GKEB N#CCSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1cccc(Cl)c1 44087378 AQNYHCMEWFUOFI-UHFFFAOYSA-N 394.714 6.115 30 40 GKEB Cc1ccccc1-c1nc2ccc(/N=C/c3c(O)ccc4ccccc34)cc2o1 98086892 SNQRUQCIZKMMOJ-CVKSISIWSA-N 378.431 6.413 30 40 GKEB N#Cc1c(/N=C\c2c[nH]c3ccccc23)oc(-c2ccccc2)c1-c1ccccc1 100700225 JSYVLUHZOPVFCV-RHANQZHGSA-N 387.442 6.717 30 40 GKEB Brc1cc2c(cc1/N=C\c1ccc3c(c1)OCO3)Cc1ccccc1-2 104102188 JMWYUKICEHBDMA-KSEXSDGBSA-N 392.252 5.500 30 40 GKEB O/N=C1C(=C\c2ccc(Cl)cc2)/CCC[C@@H]/1[C@H](NO)c1ccc(Cl)cc1 104283736 UBTZIGTZUQCBSM-JWUDJUKOSA-N 391.298 5.727 30 40 GKEB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)/C(=C/C(F)(F)F)C[C@]34C)[C@@H]1CC[C@@H]2C(=O)O 118923588 GQVSUOMNKPEXIZ-UEXHVDCUSA-N 398.465 5.398 30 40 GKEB Cc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C#N)cc1 142916892 XJBKLXKHBCHVJV-FYJGNVAPSA-N 399.475 5.207 30 40 GKEB CC(=O)Nc1ccc(/N=C/c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1 198154154 QGHOPYHTXZGZTH-ZMOGYAJESA-N 381.907 5.681 30 40 GKEB C=CCOc1ccccc1/C=C1\SC(=S)N(c2ccc(C)c(C)c2)C1=O 408532340 OBYOUNNLHKITFF-UYRXBGFRSA-N 381.522 5.274 30 40 GKEB CCn1c(N/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)nc2ccccc21 408692523 OJZFHDFMCPRZKV-DHRITJCHSA-N 398.388 5.781 30 40 GKEB Cc1cc(C)cc(/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c1 408738553 LXAGPZZNKLPUKY-YDZHTSKRSA-N 381.317 6.224 30 40 GKEB CCOC(=O)c1cccc(/N=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)c1 408741689 RONJYVUIOATUPV-PCLIKHOPSA-N 389.499 5.087 30 40 GKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc(F)c(C)c3)c2C)c1 408966976 OMRDWYNTJRBZAA-AFUMVMLFSA-N 378.447 5.469 30 40 GKEB Cc1ccc(-c2ccc(/C=N/c3ccc(F)cc3F)o2)c(Br)c1 409248191 GQWAMUBZHRWXBA-LSHDLFTRSA-N 376.200 6.046 30 40 GKEB C[C@H]1Cc2c(sc(NC(=O)c3cscc3C(F)(F)F)c2C#N)[C@H](C)C1 598837376 DBENFMKBTUUTNH-RKDXNWHRSA-N 384.448 5.638 30 40 GKEB CC(C)Cc1ccc(-c2csc(/C(C#N)=N/Nc3ccc(Cl)cc3)n2)cc1 4175390 PDPSGKRLGJGSCX-LGUFXXKBSA-N 394.931 6.002 30 40 GKEB C=CCSC1=N[C@@]2(C[C@@H](c3ccccc3)Oc3cc(O)ccc32)CC(C)(C)N1 4535712 PEDQZAYYCYICDC-REWPJTCUSA-N 394.540 5.158 30 40 GKEB Cc1cc(/C=C2\S/C(=N/c3ccccc3)NC2=O)c(C)n1-c1ccc(F)cc1 4631225 IMCPBTMVWRMBHR-MOSHPQCFSA-N 391.471 5.125 30 40 GKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3ccccc3O)cc1)N2 5337710 QNKUYWSGQXXETI-BRRGBMMTSA-N 380.491 6.278 30 40 GKEB CCCOc1c(Br)cc(/C=N/c2ccc(CC)cc2)cc1OCC 6880623 HJTWMOAPIINRAY-HYARGMPZSA-N 390.321 5.950 30 40 GKEB N#Cc1ccccc1Sc1ccccc1C(=O)NCCc1c[nH]c2ccccc12 9614114 AOVOFEWDHWXXAF-UHFFFAOYSA-N 397.503 5.163 30 40 GKEB COc1ccc(OC)c(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)c1 13116066 VPFUWGGRSSAAIQ-ZMOGYAJESA-N 388.379 5.439 30 40 GKEB C=CC(=O)N(c1ccccc1C)[C@@H](C#N)c1ccccc1OCc1ccccc1 16848745 JLUXDAHKCTUXTD-QHCPKHFHSA-N 382.463 5.358 30 40 GKEB Cc1cc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)nc2ccccc12 23410117 LJJQLUSGQLGWDM-ZDUSSCGKSA-N 393.537 5.084 30 40 GKEB C=CC[n+]1c(-c2ccc(OC)cc2)csc1Nc1cccc(C(F)(F)F)c1 26570175 QYWJMCKQDJPJTB-UHFFFAOYSA-O 391.438 5.660 30 40 GKEB Cc1c(/C=N/N=C2\CC[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]23C)cnn1C 36612999 FTSQLIABFSZKPD-OAVRMGNQSA-N 394.607 5.936 30 40 GKEB CCCCCCCCn1nc2c(Br)ccc(Br)c2n1 97972217 RCNIUQLWVBBJPN-UHFFFAOYSA-N 389.135 5.317 30 40 GKEB CCCCCCCCCCOc1ccc(NC(=O)Nc2ccccc2OC)cc1 100024385 ROEFFWGJPMIBOZ-UHFFFAOYSA-N 398.547 6.859 30 40 GKEB Cc1cc(/C=N/c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc(C)c1O 107846273 ULWDVSKMXYDGQQ-LPYMAVHISA-N 378.453 5.819 30 40 GKEB C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(O)C#Cc1ccccc1 245240699 RRBUVKVCPPYRAS-AKCFYGDASA-N 388.551 5.301 30 40 GKEB CCCCCCCOC(=O)[C@@H]1[C@@H](c2ccccc2)[C@H](C(=O)O)[C@H]1c1ccccc1 245380430 ZCPGURXHGYKDDY-MESAYYPLSA-N 394.511 5.398 30 40 GKEB C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccncc2)S/C1=N\c1ccccc1 408850493 OCTCQWCMLNVXAR-OCLIMTSPSA-N 377.513 5.264 30 40 GKEB Cc1ccc(-c2cc(NC=C3C(=O)CC(C)(C)CC3=O)n(-c3ccccc3)n2)cc1 408926375 UCUGWQJGKHRXJY-UHFFFAOYSA-N 399.494 5.102 30 40 GKEB CC1=NOC(=O)/C1=C\c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 409088889 HLVSJKLFWBDZGM-MLPAPPSSSA-N 380.202 5.028 30 40 GKEB CCN1C(=O)/C(=C\C=C\c2ccc(OC)cc2)S/C1=N/c1ccc(F)cc1 409229229 LUHGXHDMXGZHOW-VEWQJGNPSA-N 382.460 5.014 30 40 GKEB C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H](/C(C)=C/C=C(/C)C(C)C)CC[C@@H]12 1560410852 RQQBNTSMJYBAEV-SDEJDMMASA-N 394.643 7.705 30 40 GKEB FC(F)(F)CCCOB(OCCCC(F)(F)F)OCCCC(F)(F)F 1772820889 MXZQPMJKPCNGSL-UHFFFAOYSA-N 392.067 5.049 30 40 GKEB Cc1ccc(NC(=O)CSc2nc3cc(C)cc(C)c3cc2C#N)c(C)c1 1354375 LQUZTDVIROIJIS-UHFFFAOYSA-N 375.497 5.071 30 40 GKEB CCc1c(C)sc(NC(=O)c2c(-c3ccccc3Cl)noc2C)c1C#N 2761921 PVASRSWHLSAWSC-UHFFFAOYSA-N 385.876 5.360 30 40 GKEB Cc1ccc(CSc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)cc1 3637083 AIVVCFOMIYPCBT-UHFFFAOYSA-N 390.455 6.301 30 40 GKEB COc1ccccc1/C=C1\S/C(=N/c2cccc(C(F)(F)F)c2)N=C1O 6848950 AUTDIYGTKWOSDL-DHDCSXOGSA-N 378.375 5.446 30 40 GKEB Cc1sc(NC(=O)c2cccc(C#N)c2)nc1-c1ccc(Br)cc1 7967391 YOKAVIUFDIYXKN-UHFFFAOYSA-N 398.285 5.005 30 40 GKEB CCCCc1c(-c2ccccc2)nc(N)c(C#N)c1-c1ccc(O)c(OCC)c1 19848187 OHPHJIXSEIBJPL-UHFFFAOYSA-N 387.483 5.316 30 40 GKEB CCCCCCCOc1ccc(OCCCC[N+]2(CC)CCCCC2)cc1 104198878 GEJUSSWKTGULMR-UHFFFAOYSA-N 376.605 6.215 30 40 GKEB C=C(C)[C@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@H]4[C@]3(C)CC[C@H]3CC(=O)CC[C@]34C)[C@H]12 118915832 JMNNBGGLFDJNBE-HMEITKRZSA-N 396.659 7.597 30 40 GKEB CCn1ccc(/C=C2\C[C@@H]3[C@H]4CC[C@@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)n1 253505338 ILNJYEIJHGACFY-MYVQWRIUSA-N 380.576 5.898 30 40 GKEB Cc1ccc(/N=C/c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)cc1Cl 408541687 HGWATRVRURUXAE-BHGWPJFGSA-N 392.842 5.693 30 40 GKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(Sc4ccccc4)o3)S2)cc1 408757028 VXHCZVBIKHHFKB-AQTBWJFISA-N 392.505 5.631 30 40 GKEB CC[C@@H](C)N1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)S/C1=N\c1ccc(C)cc1 408916580 YCHSIUFYQITUNL-YWRZKIKVSA-N 395.484 5.306 30 40 GKEB C=CCOc1cccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1 409079141 KBYCYNWFTXFHPD-SCELWYEFSA-N 378.541 6.086 30 40 GKEB CC1(C)SC(=S)N(c2ccccc2)[C@@H]1/[N+]([O-])=C/c1c(F)cccc1Cl 1436805 STFMVAFRKLDZMW-SJJOQSKNSA-N 394.924 5.051 30 40 GKEB C=CCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1 4184238 XIOHHPKZKILMLK-ZCYQVOJMSA-N 382.463 5.494 30 40 GKEB CCc1ccc2nc(SCC(=O)Nc3cccc(C)c3C)c(C#N)cc2c1 4848919 VEDLPNFTWKGJLC-UHFFFAOYSA-N 375.497 5.017 30 40 GKEB Cc1ccc2nc(C(Cl)(Cl)Cl)nc(N/N=C/c3ccc(F)cc3)c2c1 5445414 IOTTYYMHKHCVQY-LSFURLLWSA-N 397.668 5.350 30 40 GKEB COc1ccc(/C=N/c2ccc(Br)cc2[C@@H](O)c2ccccc2)cc1 5513491 JNISDSNDNZKDSY-VSIOZEBNSA-N 396.284 5.290 30 40 GKEB N#Cc1c(/N=C/c2ccc(OCc3ccccc3)cc2)sc2c1CCCCC2 6999028 JWOYACOKMCFPKF-WGOQTCKBSA-N 386.520 6.218 30 40 GKEB Cc1nn2c(c1-c1ccccc1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccccc1 8559394 LHSCMIJUGVNDHC-HSZRJFAPSA-N 383.495 5.517 30 40 GKEB Cc1ccc(-c2nc3ccccc3o2)cc1/N=C/c1cc([N+](=O)[O-])cc(C)c1O 13601818 ZKCNREVYXLMTQL-FSJBWODESA-N 387.395 5.476 30 40 GKEB CCCCCCCCCCCC(=O)O[C@@H](c1ccccc1)[C@@H](N)C(=O)OCC 70665937 UDQQEQRPWIGNCC-YADHBBJMSA-N 391.552 5.082 30 40 GKEB biogenic CCCCCCCCOC(=O)[C@H]1CC=CC[C@H]1C(=O)OCCCCCCCC 100744142 WWNWIBTTWTVLMZ-SZPZYZBQSA-N 394.596 6.376 30 40 GKEB CCCCCCCCCCCCCCCCCC(=O)NCCc1ccccc1 101672609 JSQYZHUPJQWKBQ-UHFFFAOYSA-N 387.652 7.607 30 40 GKEB Cc1cc(Cl)ccc1/N=C\c1ccc(/C=N\c2ccc(Cl)cc2C)cc1 104187505 INRUPKNLUGMVIP-WFBNZKAHSA-N 381.306 7.111 30 40 GKEB CCCCCCCCCCCCNC(=O)C(=O)Nc1ccccc1OCC 105433218 KBZLSZXOOIDILW-UHFFFAOYSA-N 376.541 5.061 30 40 GKEB C=CCOc1ccc(NC(=S)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1 225511831 KSYDYEMYFBZXCK-HSZRJFAPSA-N 388.536 5.636 30 40 GKEB CCOc1ccc(-n2c(C)cc(/C=N/c3ccc(C)cc3[N+](=O)[O-])c2C)cc1 409187570 RYOSJMHYXZBGIJ-OEAKJJBVSA-N 377.444 5.460 30 40 GKEB O=C(c1cc(Cl)ccc1Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575243088 XSLBJAWBRVFELW-UHFFFAOYSA-N 393.032 5.644 30 40 GKEB O=C(c1ccc(Cl)cc1C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F 575361010 MYDSMUUVWZPTSJ-UHFFFAOYSA-N 376.577 5.374 30 40 GKEB CCCCCCCC[C@@H](CCCCCC)CN1C(=O)C(=O)c2sccc21 1776010965 LOZFYIWLUVNMBO-GOSISDBHSA-N 377.594 6.615 30 40 GKEB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1sc2c(c1C#N)CCCC2 996455 IEYTVLZRFYNCEB-UHFFFAOYSA-N 397.887 5.368 30 40 GKEB CCOC(=O)c1c(-c2ccccc2)csc1/N=C/c1ccc(O)c(OC)c1 1052385 NPUKQWUERDVVRX-WSDLNYQXSA-N 381.453 5.057 30 40 GKEB CN(C)c1ccc(-c2nc3cc(/N=C/c4ccc(Cl)cc4)ccc3o2)cc1 2051917 PFNZZIRDFKJKGJ-ZVHZXABRSA-N 375.859 5.965 30 40 GKEB Brc1ccc(/C=N/N=C/c2cccc(OCc3ccccc3)c2)cc1 4705090 SZCIUAOCUSENGH-OZEVPFDHSA-N 393.284 5.481 30 40 GKEB C=COC(=O)CSc1nc(-c2cccs2)cc(-c2ccc(F)cc2)c1C#N 4734620 OVKZKEVCDKFYPA-UHFFFAOYSA-N 396.468 5.267 30 40 GKEB Cc1ccc([C@H]2Sc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 4747081 JKPNFIOHOVIGIE-RXFWQSSRSA-N 397.543 6.655 30 40 GKEB C=CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)c1ccc2ccccc2c1 7721247 YXTJHAIRBDUTLR-UHFFFAOYSA-N 383.451 5.027 30 40 GKEB N#CCCn1nc(-c2ccccc2)c2c1Nc1ccccc1N[C@@H]2c1ccncc1 7778748 CUYBCQLIUQKLNI-JOCHJYFZSA-N 392.466 5.117 30 40 GKEB N#Cc1nc(-c2cccc3ccccc23)oc1NC[C@@H]1CCCN2CCCC[C@H]12 32124526 INGZDDJORYCRCL-PGRDOPGGSA-N 386.499 5.043 30 40 GKEB biogenic Cc1ccc(-c2c(C(=O)/C=C/c3ccccc3C)c(=O)[nH]c3ccccc23)cc1 58161653 KBKPCCVGJIQINA-FOCLMDBBSA-N 379.459 5.708 30 40 GKEB O=C(/C=C\c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)c1ccccc1Cl 96766252 SCXRPFURKQAOEH-VURMDHGXSA-N 397.843 5.086 30 40 GKEB CCCCCCCCCCCC(=O)Nc1cc(OC)c(OC)cc1C(=O)O 97951221 SPKNSHMCXPTRRZ-UHFFFAOYSA-N 379.497 5.261 30 40 GKEB Cc1cc(/C=N/c2cccc(Br)c2)c(C)n1-c1cccc([N+](=O)[O-])c1 100116585 GOHMLOVPJVGGNG-CIAFOILYSA-N 398.260 5.515 30 40 GKEB CCOC(=O)c1cc(-c2ccc(/N=C/c3cccs3)cc2)nc2ccccc12 100210451 ZPVWDUSWTISIBQ-BUVRLJJBSA-N 386.476 5.891 30 40 GKEB O=C(Nc1ccccc1)c1c(/N=C\c2ccccc2O)sc2c1CCCC2 100222723 YHOMPCJATDZAAX-UCQKPKSFSA-N 376.481 5.335 30 40 GKEB O=[N+]([O-])c1ccc(/C=N/c2ccc3oc(-c4ccc5ccccc5c4)nc3c2)s1 103637744 BNZFOLJJBCLPMT-YDZHTSKRSA-N 399.431 6.368 30 40 GKEB Cc1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1 118918742 DZQWNCYAOSAXOV-KSMZDEKXSA-N 376.584 6.990 30 40 GKEB Cc1ccc(-n2cccc2/C=N/c2ccc(Br)c(C)c2)cc1Cl 409019402 YZCWGRYJTBFPES-WSDLNYQXSA-N 387.708 6.261 30 40 GKEB Cc1ccc2nc(SCC(=O)Nc3ccc(C)c(Cl)c3)c(C#N)cc2c1 1222307 WVBCIIJUINFTLH-UHFFFAOYSA-N 381.888 5.108 30 40 GKEB C=CCc1ccc(Oc2ccc3noc4c3c2C(=O)c2ccccc2-4)c(OC)c1 2101232 GUGVCQARSIJZMI-UHFFFAOYSA-N 383.403 5.569 30 40 GKEB biogenic N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccccc2)nc1SCC(=O)O 4733981 HLGHNIDFCLZGPX-UHFFFAOYSA-N 380.856 5.117 30 40 GKEB O=C(/C(=C\c1ccccc1)Oc1ccc(S[N+](=O)[O-])cc1)c1ccccc1 4994801 XGQUMYGHPCRBAK-HMMYKYKNSA-N 377.421 5.273 30 40 GKEB C=CCN(CC=C)C[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 5129927 BQSMDOYYINIQJM-KRWDZBQOSA-N 389.326 5.136 30 40 GKEB CCOc1cc(/C=N/c2ccc(C)cc2)ccc1OCc1cccc2ccccc12 6961498 RTJQBLYBJLTQQA-MTDXEUNCSA-N 395.502 6.877 30 40 GKEB COc1cccc(/C=C2\Oc3cc(OC/C=C/c4ccccc4)ccc3C2=O)c1 8765134 NZYZSCFIDAIZKJ-LRAAMTAKSA-N 384.431 5.404 30 40 GKEB biogenic Cc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(Cl)c(Cl)c1 12406354 XIRMLMISGPDSDB-LEXBJTGFSA-N 387.310 6.055 30 40 GKEB C=CCc1ccccc1OCc1ccc(C(=O)Nc2ccc(C(C)=O)cc2)o1 28236556 HYZVDAZPFRFOGL-UHFFFAOYSA-N 375.424 5.042 30 40 GKEB N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccc(Br)cc2)nc1N 33526093 WTQMTQKIDLTALV-UHFFFAOYSA-N 384.664 5.285 30 40 GKEB CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C(Cl)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 38722324 WNUBDFJMQBMNQB-DXODLALXSA-N 378.940 5.407 30 40 GKEB in-vitro CCCCCCCCCCCCCCCCCCCCCC[C@H](O)C(=O)O 59968330 MSUOLNSQHLHDAS-QHCPKHFHSA-N 384.645 7.644 30 40 GKEB endogenous,in-man N#Cc1cccc(C(=O)/C=C/c2ccc(/C=C/C(=O)c3cccc(C#N)c3)cc2)c1 71800062 UBTXMIPXDVKZMO-PHEQNACWSA-N 388.426 5.222 30 40 GKEB CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccc(Cl)cc1 100563544 XJHGLZJWGACNPS-LJQANCHMSA-N 389.882 5.278 30 40 GKEB CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2cccc(Cl)c2)NC1=O 408808823 GHUFRJICWKCRBV-SXGWCWSVSA-N 393.295 5.284 30 40 GKEB COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2ccc(C(C)(C)C)cc2)S1 408871650 IDRSHQHPXKPHTF-UYRXBGFRSA-N 380.513 5.193 30 40 GKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(OCC(C)C)cc2)C(=O)N1C 408916128 VBMRHGFKVAYGTJ-NFEGURHZSA-N 394.540 5.518 30 40 GKEB FC(F)(F)c1cccc(-n2cccc2/C=N/c2ccc(C3CCCCC3)cc2)c1 408935132 MPUFPCNFKASZES-OGLMXYFKSA-N 396.456 7.294 30 40 GKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cccnc3Cl)c2C#N)C1 657082 HVXFZTJUVZASEW-LBPRGKRZSA-N 387.936 5.462 30 40 GKEB O=C1ON=C(c2ccccc2)/C1=C/c1ccccc1OCc1ccc(Cl)cc1 1833991 MABMOATWALFBKO-ZHZULCJRSA-N 389.838 5.264 30 40 GKEB Cc1cc(C)cc(-c2nc3cc(/N=C/C=C/c4ccc([N+](=O)[O-])cc4)ccc3o2)c1 3034000 ISSLOXMWSDLSCB-UMKNWRDPSA-N 397.434 6.436 30 40 GKEB Cc1ccc(-c2nc3c4ccccc4ccn3c2C(=O)/C=C/c2cccs2)cc1 4114816 BEGPUASCUUDONL-OUKQBFOZSA-N 394.499 6.421 30 40 GKEB Cc1ccc(Cc2c(C)c(C#N)c3nc4ccccc4n3c2NCC(C)C)cc1 5454383 VRQJMXGTEPHNMJ-UHFFFAOYSA-N 382.511 5.635 30 40 GKEB C=CCN1C(=O)/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)SC1=S 6323294 GDMOSXVBDZZZSJ-FOWTUZBSSA-N 389.586 5.374 30 40 GKEB CCOC(=O)/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)C(=O)c1ccccc1 6544786 ZNTIDRRXNPLPOL-XMHGGMMESA-N 380.827 5.429 30 40 GKEB Cc1ccc(/N=C/c2ccccc2OS(=O)(=O)c2ccc(Cl)cc2)c(C)c1 8368833 FFSVYPZJGABADQ-OEAKJJBVSA-N 399.899 5.475 30 40 GKEB Cc1ccc(OCc2ccc(-c3nc(C#N)c(N4CCCCCC4)o3)o2)cc1C 33027204 WFIMDTAURYAVBU-UHFFFAOYSA-N 391.471 5.383 30 40 GKEB CCCCCCCCCCCc1nc(C2CCC(CCCCCC)CC2)no1 59211788 FYLFDYIDQFOLET-UHFFFAOYSA-N 390.656 8.387 30 40 GKEB CCCCCCCCCCCCCCCCCC/N=C/c1ccc(Cl)cc1 97962648 FIAFNSWGTDAZQL-SLEBQGDGSA-N 392.071 9.020 30 40 GKEB C[C@@H](Oc1ccc(-c2ccccc2)c(F)c1)C(=O)/C=C/Nc1ccc(Cl)cc1 100096489 MIGPSMVPSKDBFH-FIFPYPGSSA-N 395.861 6.108 30 40 GKEB O=C(OCCCC(F)(F)C(F)(F)F)OCCCC(F)(F)C(F)(F)F 169795699 OYLORFVOOKJPKB-UHFFFAOYSA-N 382.194 5.095 30 40 GKEB CCCCOc1ccc(/C=C2/SC(=Nc3ccccc3Cl)NC2=O)cc1 408603476 RCGQQPOMRDZPQF-QGOAFFKASA-N 386.904 5.411 30 40 GKEB COc1ccc(/N=C/c2cccn2-c2cccc(Br)c2)cc1Cl 409009647 HJOWTBNPYZUURC-CIAFOILYSA-N 389.680 5.652 30 40 GKEB CCCCc1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)cc1 409074975 VZUIXIOMBIBJOD-KOEQRZSOSA-N 379.956 7.584 30 40 GKEB Cc1ccc(Cl)cc1/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 409217880 XXINHRSMUZZNGI-YDZHTSKRSA-N 380.831 5.886 30 40 GKEB COc1ccccc1/N=C/c1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12 1228548 FVIPMDTYHCFZGU-WGOQTCKBSA-N 396.446 5.557 30 40 GKEB CCCOc1ccc(Br)cc1/C=N/NCc1ccccc1Cl 8811803 AYGIHMZRELFFCG-CIAFOILYSA-N 381.701 5.015 30 40 GKEB N#Cc1cccc(CSc2nnc(C(c3ccccc3)c3ccccc3)o2)c1 9200092 XLLICAJKBZZBJZ-UHFFFAOYSA-N 383.476 5.414 30 40 GKEB CSc1nc(Nc2ccc(F)cc2)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 19820472 GTSGOSBODDKPNR-UHFFFAOYSA-N 392.503 5.917 30 40 GKEB Cc1cc(/C=N/Nc2ccccc2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 33616633 ILXOEFNLDYTHCQ-YDZHTSKRSA-N 393.512 5.179 30 40 GKEB Brc1ccc(-c2csc(N/N=C\c3c[nH]c4ccccc34)n2)cc1 54201900 NQPOYLYLUNYCKK-FBHDLOMBSA-N 397.301 5.500 30 40 GKEB CCCCCCCCCCCCCCCCSc1ccc2ccccc2c1 104134594 FACIKISMAPZTOA-UHFFFAOYSA-N 384.673 9.413 30 40 GKEB CCCCCCCCCCOC(=O)N[C@@H]1c2ccccc2Oc2c(C)cccc21 104249243 XQMVVBXFSGIEQO-HSZRJFAPSA-N 395.543 7.057 30 40 GKEB CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](C(=O)O)C(C)C 105449630 LRQPUGFHAACUMH-GJCOWUBNSA-N 381.601 6.249 30 40 GKEB in-vitro CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](C#N)CC[C@]4(C)[C@H]3CC[C@@]21C 118932743 IPBLIUKTZDRWCD-NXGVQJHJSA-N 395.675 8.168 30 40 GKEB Cc1ccc(C2(C(=O)Nc3ccc(OC(C)C)c(C#N)c3)CCCCC2)cc1 225760166 UTGIBUIWVHYUEU-UHFFFAOYSA-N 376.500 5.495 30 40 GKEB COc1ccc(/C=C2/C[C@@H](C(C)(C)C)C/C(=C\c3ccc(OC)cc3)C2=O)cc1 245310034 GTIPXSAFWBZYKD-IHDHVBRQSA-N 390.523 6.196 30 40 GKEB C#CCOc1ccc2ccccc2c1/C=C1\SC(=Nc2ccc(C)cc2)NC1=O 408808396 GEASAWONMUJCFP-JCMHNJIXSA-N 398.487 5.052 30 40 GKEB C(=N/c1ccc(Cc2ccc(/N=C/c3cccnc3)cc2)cc1)\c1cccnc1 858203 YONSDIDKWFLBIK-UOSOPFLXSA-N 376.463 5.569 30 40 GKEB CCCCCCCCOc1ccc(/C=N/N2C(=O)c3ccccc3C2=O)cc1 3261639 WQDBUIXTKPTVEP-JJIBRWJFSA-N 378.472 5.056 30 40 GKEB CC1(C)CC(=O)C2=C(C1)N1CCc3cc4c(cc3C1=C[C@@H]2c1ccccc1)OCO4 4090195 NEHMNOGSUBWBSJ-LJQANCHMSA-N 399.490 5.055 30 40 GKEB biogenic COc1ccc(-c2ccc(/C=N/c3ccc4oc(-c5ccccc5)nc4c3)o2)cc1 5514015 GAYJKCRABWFWEZ-WGOQTCKBSA-N 394.430 6.514 30 40 GKEB CC(C)Sc1ccc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1 7598029 KUVDGMURQCZZLX-UHFFFAOYSA-N 379.510 5.435 30 40 GKEB O=C(/C=C(\C(=O)c1ccccc1)c1ccccc1)c1ccc(-c2ccccc2)cc1 12367859 TVHIRCREDUOOTK-QOMWVZHYSA-N 388.466 6.503 30 40 GKEB COc1cccc(/C=C(\C(=O)c2ccc(C)cc2)c2nc3ccccc3o2)c1OC 12377891 VJXXBDYCLNDVSI-XDJHFCHBSA-N 399.446 5.577 30 40 GKEB Cc1ccccc1/N=C1\N=C(S)N(c2ccccc2)[C@]12CCOC(C)(C)C2 17194757 OAXUVCDCBSSZIU-QFIPXVFZSA-N 379.529 5.159 30 40 GKEB N#C[C@H](C(=O)[C@@H]1C[C@H]1c1ccccc1F)c1nc(-c2c(F)cccc2F)cs1 68349362 CBNMIMUINOTILX-BFHYXJOUSA-N 398.409 5.207 30 40 GKEB COc1ccc(/C=N/c2ccc(N3Cc4cc(C)c(C)cc4C3)cc2)cc1OC 100305813 JJTZJYQXLRXYEM-VULFUBBASA-N 386.495 5.591 30 40 GKEB CCCCCCCCN(CCCCCCCC)C[C@H](O)c1ccccc1Cl 100691147 DUIWTCPGYUDDGX-DEOSSOPVSA-N 396.059 7.396 30 40 GKEB CCCN1C(=O)/C(=C\c2cccc(OC)c2OC)S/C1=N\c1ccc(C)cc1 408909761 HIMLRGRUPNLAEG-XGHAMVSDSA-N 396.512 5.026 30 40 GKEB COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1 408939424 MLZDFEZCSWUXSD-KHGAEZDMSA-N 380.491 6.272 30 40 GKEB Cc1cc(/N=C/c2c#ccc(OCc3ccc(Cl)cc3)c2)n(-c2ccccc2)n1 409065107 GENXOMAOSCKESA-WGOQTCKBSA-N 399.881 5.764 30 40 GKEB Cc1ccsc1C=Nn1c(-c2cc3ccccc3o2)nc2ccccc2c1=O 409278140 DLNVYXCXZRSFCM-UHFFFAOYSA-N 385.448 5.062 30 40 GKEB CCc1ccc(/N=C/c2cn(Cc3ccc(C(=O)OC)o3)c3ccccc23)cc1 409393159 PHXBWHZSCHMDPP-AFUMVMLFSA-N 386.451 5.382 30 40 GKEB CN(C)c1ccc(-c2nc3ccccn3c2/N=C/c2cc(Cl)ccc2O)cc1 711884 IXFYPBYBSWZKKA-ZVHZXABRSA-N 390.874 5.177 30 40 GKEB C(=N/c1ccccc1Oc1ccccc1)\c1ccc(OCc2ccccc2)cc1 3228593 ZPGOMUJSVWAPKI-ZXVVBBHZSA-N 379.459 6.809 30 40 GKEB FC(F)(F)c1ccccc1NC(=S)NN=C1CCC(c2ccccc2)CC1 5658163 HEHUYKFQIGBZHR-UHFFFAOYSA-N 391.462 5.706 30 40 GKEB CCCCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)c2ccc(Cl)cc2)cc1 6053079 WEFHTCFYNPYSJJ-HXUWFJFHSA-N 398.890 5.030 30 40 GKEB CC[C@@H](C)c1ccc(-c2c(C)sc(NC(=O)c3ccnn3C)c2C#N)cc1 6791241 JJXNYXMBEHHMOS-CYBMUJFWSA-N 378.501 5.095 30 40 GKEB Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C\c2ccc(C(C)(C)C)cc2)S1 8277522 AULISVNGUHAOGL-LDADJPATSA-N 384.932 5.838 30 40 GKEB COc1ccccc1CNc1nc(SC)nc(-c2ccc(Cl)cc2)c1C#N 19820562 HLCUJNWUVLVNDM-UHFFFAOYSA-N 396.903 5.011 30 40 GKEB CCCCN(CCCC)Cc1c(O)ccc2c1O/C(=C\c1cccs1)C2=O 20647464 WEZRSBNSWOKPLX-ZHZULCJRSA-N 385.529 5.472 30 40 GKEB CCCCOc1ccc(C(=O)Nc2cccc(C#Cc3cccs3)c2)cc1 32907505 WLEMQAFTKUALTG-UHFFFAOYSA-N 375.493 5.579 30 40 GKEB Fc1cccc(/C=N/Nc2nc(-c3ccc(Br)cc3)cs2)c1 33377263 SBALSRIRXGFUBA-DJKKODMXSA-N 376.254 5.158 30 40 GKEB Cc1ccc(-c2c(C(=O)/C=C/c3ccccc3C)c(C)nc3ccccc23)cc1 72314723 GQKYULSUHPIKQW-WUKNDPDISA-N 377.487 6.723 30 40 GKEB CCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103525545 HPJWIMZNIKWFIU-UHFFFAOYSA-N 382.257 6.841 30 40 GKEB CCCCCCCCCCCCNC(=S)N/N=C\c1ccccc1[N+](=O)[O-] 104373401 WZRZSLPSULMURH-XLNRJJMWSA-N 392.569 5.314 30 40 GKEB Cc1ccc(/N=C2\SCCCN2C(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)cc1Cl 107447153 HKCSWAAPCVUUSP-RXQNGZOBSA-N 376.953 5.428 30 40 GKEB CCCOc1ccccc1/C=N\c1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 408600957 HTAFRLJOGROHPF-HAWKZNDISA-N 380.557 6.310 30 40 GKEB O=C(/C=C/Nc1ccccc1Oc1ccccc1)c1cccc(Br)c1 409072799 SMNYOQMZVWCKNW-BUHFOSPRSA-N 394.268 6.050 30 40 GKEB COc1cccc(Oc2ccc(/N=C/c3cc(C)n(-c4ccccn4)c3C)cc2)c1 409232400 OSTGJIAEOMGOOD-WPWMEQJKSA-N 397.478 6.041 30 40 GKEB FC(F)(F)CNc1ccccc1OCCC(F)(F)C(F)(F)C(F)(F)F 1565673295 DSDHXAYDCXLZDN-UHFFFAOYSA-N 387.217 5.263 30 40 GKEB CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1F)C(=O)C[C@@H]2c1ccccc1 1079606 SPPJZSIMYMEGBV-MRXNPFEDSA-N 381.422 5.129 30 40 GKEB CCCCCCCSc1nc(-c2ccccc2)nc2sc3c(c12)CCCC3 2335513 RBDYTQPWROLMOB-UHFFFAOYSA-N 396.625 7.300 30 40 GKEB COc1ccc(C(=NSc2ccc([N+](=O)[O-])cc2)c2ccc(OC)cc2)cc1 3066036 NYFAAWGOHZOMFF-UHFFFAOYSA-N 394.452 5.157 30 40 GKEB Cc1cc(C)c2nc(N(Cc3cccnc3)C(=O)c3ccc(C#N)cc3)sc2c1 4273290 WWSAWXSKHJYNCB-UHFFFAOYSA-N 398.491 5.027 30 40 GKEB O=C(/C(=C/c1ccc2ncccc2c1)c1nc2ccccc2[nH]1)c1ccccc1 5071876 JSBFUCOMCAGQQM-SILNSSARSA-N 375.431 5.535 30 40 GKEB C=CCOc1ccc(/C=C2/SC(Nc3ccc4ccccc4c3)=NC2=O)cc1 6856052 DGHCDDKEFMPVII-KGENOOAVSA-N 386.476 5.487 30 40 GKEB CCOc1ccc(/N=C/c2c(OCc3ccc(C)cc3)ccc3ccccc23)cc1 6962086 SVTMLSARDODYFH-MTDXEUNCSA-N 395.502 6.877 30 40 GKEB FC(F)(F)c1ccc(N/N=C/c2sc(Nc3ccccc3)nc2Cl)nc1 7159554 WKOGGUUYPHCLQT-LSFURLLWSA-N 397.813 5.400 30 40 GKEB C/C(=C\C(=O)c1ccc(Cl)cc1)Nc1ccc(I)cc1 16136465 LXTXNTRHCVDLDM-ZHACJKMWSA-N 397.643 5.143 30 40 GKEB O=C(/N=C(/N=C(\c1ccccc1)N1CCCCC1)c1ccccc1)c1ccccc1 17123565 SYIHPIKZKVSORJ-XDRLXRPISA-N 395.506 5.206 30 40 GKEB COc1ccc2c(c1)c(/C=C1\Oc3cc(OCC=C(C)C)ccc3C1=O)cn2C 28182740 ZNEJXXBNJCFAPZ-KSEXSDGBSA-N 389.451 5.148 30 40 GKEB Cc1ccc(C23C[C@@H]4C[C@H](CC(C/N=C/c5ccc([N+](=O)[O-])cc5)(C4)C2)C3)cc1 100812091 IQPOULBKFWKOFY-GAUXQGRTSA-N 388.511 5.860 30 40 GKEB CCCCCCCCCCCCCCCCOc1ccc(C(C)=O)c(O)c1 100934088 PJDDXOSKJJCJQW-UHFFFAOYSA-N 376.581 7.455 30 40 GKEB CCCCCCCCCCCCCCCCCC[N+]1(CC)[C@H](C)CC[C@H]1C 104177318 BLDXZRMRJWMIGB-CLJLJLNGSA-N 380.725 8.655 30 40 GKEB O=C(O/N=C(/Cc1ccc([N+](=O)[O-])cc1)c1ccccc1)c1ccc(Cl)cc1 408723626 YIJBPUWCKQVONE-ATJXCDBQSA-N 394.814 5.052 30 40 GKEB O=C1C(=Cc2ccc(OCc3cccc(F)c3)c(Cl)c2)C(=O)c2ccccc21 1102276 KGCANLGORWFFPS-UHFFFAOYSA-N 392.813 5.521 30 40 GKEB C=CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccccn1 2391965 DWXGCTJHVHFRPQ-UHFFFAOYSA-N 377.300 5.125 30 40 GKEB O=C(CC(c1ccccc1)c1ccccc1)O/N=C/c1c(Cl)cccc1Cl 2742627 OOLDDTOEFIMEIJ-MFKUBSTISA-N 398.289 6.093 30 40 GKEB N#Cc1cc(-c2ccc(Cl)cc2)cn(Cc2ccc(Cl)c(Cl)c2)c1=O 3133089 NZFGRGWHMXZEQT-UHFFFAOYSA-N 389.669 5.395 30 40 GKEB FC(F)(F)c1cc(N/N=C/c2ccccc2Cl)nc(-c2ccccc2)n1 4713119 GHVRYSYTPGQEIS-FOKLQQMPSA-N 376.769 5.262 30 40 GKEB Cc1ccccc1/N=C/c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1 8570872 DIPGRHMQAKBXOP-ZVHZXABRSA-N 378.859 5.417 30 40 GKEB CC1=CC(C)(C)N2C(=O)/C(=N/c3ccc(Oc4ccccc4)cc3)c3cccc1c32 13661940 QMBAPUSRXXGMLT-SLEBQGDGSA-N 394.474 6.142 30 40 GKEB N#C[C@]12CCCC[C@@H]1C(c1ccccc1)[C@@H]1CCCC[C@@]1(C#N)N2c1ccccc1 18060287 KTRYHAULWNUHQF-GIHMQJQTSA-N 395.550 6.196 30 40 GKEB CC[C@@H](C)c1ccc(/N=C/c2cc(Br)c(N3CCOCC3)o2)cc1 59248730 NXJXBJSISZMIQN-CNRHGSOZSA-N 391.309 5.143 30 40 GKEB Cc1cc(/C=N/c2ccc(Cl)c(C(=O)O)c2)c(C)n1-c1cccc([N+](=O)[O-])c1 100116602 JBBLAGWGYQLMMX-SSDVNMTOSA-N 397.818 5.105 30 40 GKEB C=CCN1C(=O)/C(=C2/C=Cc3ccccc3N2C)S/C1=N\c1ccc(C)cc1 101488458 WCWMWSAKVITVHJ-HHYPSQHASA-N 387.508 5.119 30 40 GKEB COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3[C@@H]3O[C@H]3[C@@]21C 119169975 FXRYPRSTXONWAP-MPRQAOOESA-N 388.592 5.612 30 40 GKEB C=CCOC(=O)c1cc(Cl)c(OCc2ccc(F)cc2Cl)c(OCC)c1 216830233 WWQXJQHSWSSOIB-UHFFFAOYSA-N 399.245 5.453 30 40 GKEB C=CCC(C(=O)Nc1ccc(OC(C)C)nc1)(c1ccccc1)c1ccccc1 225935745 SWHWYXPNNNTNHW-UHFFFAOYSA-N 386.495 5.370 30 40 GKEB CCCCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 226772778 GUZDXKHXLJQSLH-JOCHJYFZSA-N 395.499 5.339 30 40 GKEB COc1ccc2ccccc2c1/C=C1\SC(=Nc2ccc(Cl)cc2)NC1=O 408528149 CSCYOGIDQYZPBM-UNOMPAQXSA-N 394.883 5.393 30 40 GKEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccccc3SC)c2C)cc1 408742361 ONPAGFQPYLXKQD-OEAKJJBVSA-N 378.497 5.353 30 40 GKEB Cc1ccc(-n2c(C)cc(/C=N/Nc3ccc(C(F)(F)F)cn3)c2C)c(C)c1 409107600 SBQILBBZKLTBPI-KBKYJPHKSA-N 386.421 5.571 30 40 GKEB C=CCOc1cccc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)c1 409347635 MVWPJKZIMJGMJM-LDADJPATSA-N 399.562 5.379 30 40 GKEB CC[C@@H]1CCc2c(sc(NC(=O)c3cccc(Br)c3)c2C#N)C1 994628 YNXWIJIRLHJRJF-LLVKDONJSA-N 389.318 5.149 30 40 GKEB COc1ccc(/C=N/c2ccc(-c3nc4c(C)cccc4o3)cc2)cc1Cl 1435375 SLFVUJAKYIJHJE-ZMOGYAJESA-N 376.843 6.216 30 40 GKEB Cc1ccc(C(=O)/C=C2\Nc3ccccc3N\C2=C/C(=O)c2ccc(C)cc2)cc1 4235783 MGKSITSDMULOBZ-MPKYGIEOSA-N 394.474 5.674 30 40 GKEB c1ccc2c(c1)CN(c1ccc3ccccc3c1)/C2=N\c1ccc2ccccc2c1 4709886 HKGOVKHLSVZTJI-ZIADKAODSA-N 384.482 7.092 30 40 GKEB Clc1cc(Cl)c(NN=C(c2ccccc2)c2ccccc2)c(Cl)c1 4727229 XPHDXKAOPNIBER-UHFFFAOYSA-N 375.686 6.511 30 40 GKEB Cc1ccc(-n2nc(C)c3c2NC2=C(C(=O)CC(C)(C)C2)[C@@H]3c2ccccc2)cc1 5021083 AZOUAMLUASPWAB-HSZRJFAPSA-N 397.522 5.690 30 40 GKEB O=C1/C(=C/c2ccncc2)Oc2cc(OCc3c(F)cccc3Cl)ccc21 5178746 GPOMPAPNJCQWKD-JMIUGGIZSA-N 381.790 5.069 30 40 GKEB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/n1cc(-c2ccccc2)[nH]c1=S 6681454 VJMDVPHPPZKGRD-WSDLNYQXSA-N 393.903 5.242 30 40 GKEB Cc1c(Cl)cccc1/N=C/c1ccc(OCc2cccc3ccccc23)cc1 8278013 QMYYGHUTNVCYHG-JVWAILMASA-N 385.894 7.131 30 40 GKEB CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(F)cc1 9334899 KESKVGGLRNZSRB-NRFANRHFSA-N 395.474 5.293 30 40 GKEB CCCCCC[C@@H](/C=N/N=C1c2ccccc2-c2ccccc21)Cc1ccccc1 16921004 HRLITXPCTNOQNH-ZPDUGWTNSA-N 394.562 7.320 30 40 GKEB Cc1nc(-c2ccc(Cl)cc2)sc1/C(O)=N/c1nnc(C(C)C)s1 22975461 WHSYIUXUKRXODP-UHFFFAOYSA-N 378.910 5.383 30 40 GKEB C=CC[n+]1c(-c2ccc(Cl)cc2)csc1Nc1cccc(C(F)(F)F)c1 26570140 WZKMDIJOJGQMPR-UHFFFAOYSA-O 395.857 6.304 30 40 GKEB O/C(=N\c1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1ccc(O)c(Cl)c1 32901823 PWMVZMFDMFZIEY-UHFFFAOYSA-N 389.908 5.001 30 40 GKEB COc1ccc(/C=C2\S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)cc1 33097101 UDZAQHIEXNBBFA-RDHMHZQQSA-N 392.524 5.632 30 40 GKEB CCCCCCCCOc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 59722873 NWKQMOUREHAMPG-UHFFFAOYSA-N 387.973 5.254 30 40 GKEB Cc1ccc2nc(-c3ccc(C)c(/N=C/c4cc(Cl)ccc4O)c3)oc2c1 100503047 CKJJFTYSIJWOOM-WYMPLXKRSA-N 376.843 6.221 30 40 GKEB CCN1c2ccc(/C=N\NC(=S)Nc3ccccc3)cc2C(C)=CC1(C)C 208505553 OBOVEBYRFJKDNQ-HAHDFKILSA-N 378.545 5.029 30 40 GKEB C=CCOc1ccc(NC(=O)CSCc2ccc(Cl)cc2Cl)cc1 222721276 VIVBMBXOGGXTBP-UHFFFAOYSA-N 382.312 5.430 30 40 GKEB CCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)c(C#N)c1 225765923 LNOYRAFKEKPQLO-UHFFFAOYSA-N 396.918 5.841 30 40 GKEB O=C(O)c1ccc(Cn2cc(/C=N\c3ccc4ccccc4c3)c3ccccc32)o1 408542177 HTWSTXJMTWBXQZ-WGARJPEWSA-N 394.430 5.885 30 40 GKEB COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)c(C)c1 408908108 DNZWTINYNOBLMJ-GRUKXCDCSA-N 394.540 5.572 30 40 GKEB Clc1cccc(Oc2ccc(/N=C/c3ccc(N4CCOCC4)cc3)cc2)c1 409104289 CHWQFWUAUWCAAR-KOEQRZSOSA-N 392.886 5.720 30 40 GKEB CC(C)(C)c1ccc(CSc2nc3c(c(-c4ccccc4)c2C#N)CCC3)cc1 2346396 VCVNGVDWNCTDKU-UHFFFAOYSA-N 398.575 6.699 30 40 GKEB Cc1ccc(-c2oc(NC(=O)C3CCCC3)c(C#N)c2-c2ccc(C)cc2)cc1 3305387 YGRONYOCQZRFOX-UHFFFAOYSA-N 384.479 6.231 30 40 GKEB Cc1ccc(COc2ccccc2/C=C2\C(=O)ON=C2c2ccc(C)cc2)cc1 3628590 LQTMPUARJMITAW-JCMHNJIXSA-N 383.447 5.227 30 40 GKEB Cc1ccc(C(C)C)c(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c1 4040852 AWAVUXZTOZFZLY-OAHLLOKOSA-N 382.529 5.194 30 40 GKEB C=CCn1c(SCc2nc3ccccc3s2)nc2sc(CC)cc2c1=O 6648942 KTDGEQKAFYQMDJ-UHFFFAOYSA-N 399.566 5.108 30 40 GKEB Cc1ccc(COc2c(Cl)cc(/C=N/c3ccc(C)c(C)c3)cc2Cl)cc1 8372958 ZMLWYPQDRWVWRH-LGJNPRDNSA-N 398.333 7.248 30 40 GKEB CCCOc1ccc(/C=N/Nc2ccnc3cc(Cl)ccc23)c(OCCC)c1 12524955 VXVYOKNCOHQEEN-MFKUBSTISA-N 397.906 5.912 30 40 GKEB CCCCCC[C@H](/C=N/N=C1c2ccccc2-c2ccccc21)Cc1ccccc1 16920999 HRLITXPCTNOQNH-HUWXKKFSSA-N 394.562 7.320 30 40 GKEB c1ccc(N/N=C2/CCCC[C@@]23C[C@H]2CCCCC2=NN3c2ccccc2)cc1 31948281 ZWMBAKDHUIYDKE-DAMPMFEWSA-N 386.543 6.224 30 40 GKEB C=CCOc1ccccc1[C@@H]1Nc2ccc(C(=O)OCC)cc2[C@@H]2C=CC[C@@H]21 36081205 HPKVOUOTVXYTEV-IEGUWTFLSA-N 375.468 5.255 30 40 GKEB Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1sc2c(c1C#N)CCCCC2 40073531 KMRUHHCJUNJRCQ-UHFFFAOYSA-N 395.459 5.244 30 40 GKEB C/C=C(C)/C=N\NC(=S)NCCCCCCCCCCCCCCCC 104376661 ZVKYLBOYIWAGJU-OIIRGBNQSA-N 381.674 6.884 30 40 GKEB C[C@]12CCCC[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(O)C#Cc1ccccc1 118914925 WMAFYLBLTLVKOY-YMGHUFFNSA-N 376.584 6.202 30 40 GKEB C=CCOC(=O)c1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1 226317732 FZXYNKMVTYXKTH-UHFFFAOYSA-N 392.636 5.254 30 40 GKEB CCn1c(C)cc(/C=N/c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1C 409083301 ACVHLXJYDICVTK-HYARGMPZSA-N 379.485 5.935 30 40 GKEB Cc1cc([N+](=O)[O-])ccc1/N=C/c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O 409083573 SXMFPQNDQMXRAB-AFUMVMLFSA-N 390.483 5.827 30 40 GKEB Cc1c(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c2ccccc2n1C 409086334 QIICLSNEXSVDLU-JOBSNELWSA-N 389.568 6.322 30 40 GKEB COc1ccc(C(=O)/C=C(\C)Nc2ccc(Oc3ccccc3OC)cc2)cc1 409094691 GDGWYITXAXTFFJ-WUKNDPDISA-N 389.451 5.695 30 40 GKEB Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(C)c2)cc1 1077623 KKUYRVOWKGLJEO-ZBLYBZFDSA-N 394.518 6.283 30 40 GKEB CC(C)(/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 4594460 CWRTZRLXOBONLM-CIAFOILYSA-N 386.452 5.143 30 40 GKEB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2ccc(Cl)cc2)o1 5003573 FGDGRPNXDKNZDB-JLHYYAGUSA-N 388.854 5.990 30 40 GKEB Cc1ccc(C)c(N2CCN(C3=C(c4ccccc4)C(=O)c4ccccc43)CC2)c1 6793694 GPWAFIHUZYDQJD-UHFFFAOYSA-N 394.518 5.190 30 40 GKEB aggregator Cc1cc(/C=N\c2cccc(Cl)c2Cl)c(C)n1NC(=O)c1ccccc1 8334728 QKBQGPJAMADLID-FMCGGJTJSA-N 386.282 5.546 30 40 GKEB Cc1ccc(COc2cccc(/C=N/NCc3c(Cl)cccc3Cl)c2)cc1 9196177 CBUXVBHZGRIBBQ-DHRITJCHSA-N 399.321 6.005 30 40 GKEB Cc1cc(/C=N/c2ccccc2C(C)C)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 59250504 GZSSMXXQTAAFQB-DHRITJCHSA-N 394.902 6.320 30 40 GKEB COc1ccc2cc(/C=N/Nc3nc4cc(Cl)ccc4nc3Cl)ccc2c1 68734581 KFAANBWVMHGVLH-FOKLQQMPSA-N 397.265 5.544 30 40 GKEB CCCCCCCCN(CCCCCCCC)C[C@@H](O)c1ccc(F)cc1 100312958 XTVQGHIDJNFYOU-XMMPIXPASA-N 379.604 6.882 30 40 GKEB CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N/c1ccc(C)cc1 100499531 OBCSPMWFWILIQO-YALZWYRPSA-N 395.553 5.379 30 40 GKEB COc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2N2C[C@@]3(C)C[C@H]2CC3(C)C)cc1 103763222 RECLXAAEGCTLHU-YFMBHZQQSA-N 393.487 5.369 30 40 GKEB CCCCCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)O 137504382 JVQPXFSGBOXRHZ-UHFFFAOYSA-O 378.643 5.432 30 40 GKEB Cc1cc(/C=N/OCc2ccccc2C#N)c(C)n1-c1ccc(Cl)cc1Cl 408592186 LMHMEIQYCKRVLP-BRJLIKDPSA-N 398.293 5.823 30 40 GKEB Cc1[nH]c2ccccc2c1/C=N/c1nc(-c2ccc(C3CCCCC3)cc2)cs1 408978660 NKPVAHODAYHAII-CVKSISIWSA-N 399.563 7.398 30 40 GKEB Cc1csc(N/N=C/c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)n1 409053671 GVQZVPOYAPGIHJ-YDZHTSKRSA-N 393.512 5.414 30 40 GKEB FC(F)(F)Oc1ccc(/N=C\C=C\Nc2ccc(OC(F)(F)F)cc2)cc1 2513629 HPOQGNPHUPVIGH-YXFVCWCUSA-N 390.283 5.812 30 40 GKEB COc1ccc(/N=C/c2cn(-c3ccccc3)nc2-c2cccs2)cc1Cl 3265649 HOSOVQLYCYKBHQ-YDZHTSKRSA-N 393.899 6.013 30 40 GKEB CCN(CC)c1ccc(/C=N/c2ccc(-c3nnc4n3CCCCC4)cc2)cc1 3367817 CQUBFHFQCXLGJE-XIEYBQDHSA-N 387.531 5.268 30 40 GKEB O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C/c1ccc(O)c(Cl)c1 4602722 CIBPGCYQAWWYAH-NTUHNPAUSA-N 399.686 5.244 30 40 GKEB Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc3C2=O)o1 13759308 PZFNVIYVPSEECK-ODLFYWEKSA-N 380.783 5.077 30 40 GKEB COc1ccc([C@@H]2CC(=O)N(c3ccccc3)/C(=N/c3ccccc3)S2)cc1 17043573 GNJHHOPKYPFAKR-HGJUWQSKSA-N 388.492 5.594 30 40 GKEB CSc1nc(/N=C/c2cc3cc(C)ccc3nc2O)c(-c2ccccc2)s1 100703065 PCPFRUOEQSOREO-WSDLNYQXSA-N 391.521 5.845 30 40 GKEB CCCCCCCCCCNS(=O)(=O)NCCCCCCCCCC 101464271 KZQPPKPVGOCKRA-UHFFFAOYSA-N 376.651 5.692 30 40 GKEB Cc1ccc(-n2cccc2/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)c(C)c1 408966876 RAMHJWSRMJTLGC-DEDYPNTBSA-N 391.471 5.125 30 40 GKEB Cc1ccc(-n2nc(C)c(/C=N\Nc3ccc(Br)cc3)c2C)cc1 408994096 FQXUKHAAMWDCFS-MTJSOVHGSA-N 383.293 5.006 30 40 GKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc4c(c3)OCO4)c2C#N)C1 995596 YQMRFZLBBYLRLY-AWEZNQCLSA-N 396.512 5.142 30 40 GKEB Oc1ccc(Br)cc1/C=N/c1cc(C(F)(F)F)ccc1Cl 1033149 YMOJROHGERMSBJ-IFRROFPPSA-N 378.575 5.578 30 40 GKEB Clc1ccccc1N/N=C/C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1 3308456 LSYDJYUZYHIOHW-ZNRHCXQYSA-N 393.918 5.201 30 40 GKEB Fc1ccccc1-c1nc(N/N=C/c2ccccc2Cl)c2ccccc2n1 5031690 WAIPPMYCZLCYIY-ZMOGYAJESA-N 376.822 5.535 30 40 GKEB Sc1nnc(-c2ccccc2)n1/N=C/c1ccc(-c2ccc(Cl)cc2)o1 5450665 KMHBRMILGHYRBX-CIAFOILYSA-N 380.860 5.029 30 40 GKEB N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2c(F)cccc2F)cc1Cl 6864421 BDECDZCACHPQGM-MRXNPFEDSA-N 382.797 5.526 30 40 GKEB CC/N=c1\scc(-c2ccc(C)cc2)n1/N=C/c1ccc(C(F)(F)F)cc1 12603328 OIDUIQJRGBQUEK-IDXBNGHTSA-N 389.446 5.347 30 40 GKEB O=C1ON=C(c2ccccc2)/C1=C/c1ccccc1OCc1ccccc1Cl 13658805 WROZZYFYCZVUFR-RGEXLXHISA-N 389.838 5.264 30 40 GKEB Cc1ccc(S(=O)(=O)Nc2ccccc2/C=N/c2cccc(C)c2C)cc1 18037954 CUSIJWHQIULJFW-HZHRSRAPSA-N 378.497 5.163 30 40 GKEB CCCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2CCCC 97954129 XPBBNBGQMQKCHG-UHFFFAOYSA-N 391.519 5.065 30 40 GKEB CCCCCCCOc1ccccc1/C=C1/N=C(c2cccc(Cl)c2)OC1=O 97957861 SFRWWNJHFMEVIQ-CAPFRKAQSA-N 397.902 6.034 30 40 GKEB C=CCOc1ccc(/C=C2/S/C(=N/c3ccc(CC)cc3)N(C)C2=O)cc1 100298325 HJCCBIOUASZVDY-MPIQAULUSA-N 378.497 5.048 30 40 GKEB Oc1ccccc1/C=N/c1ccc2oc(-c3ccccc3Br)nc2c1 100508753 KZEFGYDDROEZOH-WSDLNYQXSA-N 393.240 5.714 30 40 GKEB CCOC(=O)C(C)(C)Sc1ccncc1-c1ccc(C#N)c2ccccc12 220572923 AWVJUIRDJRWFCS-UHFFFAOYSA-N 376.481 5.207 30 40 GKEB C=C(C)CSc1nc2sc3c(c2c(=O)n1CC(=C)C)CCc1ccccc1-3 2362370 USWPNIXASOMILE-UHFFFAOYSA-N 394.565 5.468 30 40 GKEB Cc1ccc2nc(-c3ccc(C)c(/N=C/C=C/c4ccc(Cl)cc4)c3)oc2c1 2896625 WEXDAHMVGSCAAD-DWOGBDTMSA-N 386.882 7.181 30 40 GKEB CSC(=Nc1ccc(-c2ccc(N=C(SC)SC)cc2)cc1)SC 4293390 PBTAZZQLDACUDK-UHFFFAOYSA-N 392.640 6.781 30 40 GKEB biogenic N#CCSc1nc(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)c1C#N 4950058 JUAIMVLESPBVIG-UHFFFAOYSA-N 396.302 6.210 30 40 GKEB O=C1N/C(=N/c2ccc(Cl)cc2Cl)S/C1=C\c1ccc(Cl)cc1 5551035 WKEOXOPSKQONQD-AUWJEWJLSA-N 383.687 5.538 30 40 GKEB COc1ccc(-c2cs/c(=N\C3CCCCC3)n2N=C2CCCCCC2)cc1 6470240 ZRKFXUOCCZKJBD-VHXPQNKSSA-N 397.588 6.017 30 40 GKEB CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Br)c1OCC 6959583 JETSMCBSYVDIMN-SRZZPIQSSA-N 396.712 5.959 30 40 GKEB CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC)C2=O)ccc1OC 8362902 SXSVXKIQYRWEQS-QNQNADBQSA-N 396.512 5.026 30 40 GKEB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N\c2ccc(Cl)cc2O)c1C 15013619 BLWGUAFUHKKRKS-KSEXSDGBSA-N 382.847 5.210 30 40 GKEB CSc1ccc(/C=C2\C[N+](C)(C)C/C(=C\c3ccc(SC)cc3)C2=O)cc1 17197000 JUWJTPALTAZIPS-IWGRKNQJSA-N 396.601 5.257 30 40 GKEB COc1ccccc1CN/N=C/c1ccc(OCc2ccccc2Cl)cc1 20761317 JJODHYQHIGHPOZ-ZVHZXABRSA-N 380.875 5.051 30 40 GKEB C(=N\N1CCN(Cc2ccccc2)CC1)\c1c2ccccc2cc2ccccc12 28349849 ZJNUROJTMAOEDO-DIBXZPPDSA-N 379.507 5.145 30 40 GKEB CCCCCCCCCc1cnc(-c2ccc(OCCCCCCC)cc2)nc1 100073847 IHQUQNPGVVLDKR-UHFFFAOYSA-N 396.619 7.786 30 40 GKEB CCCCCCCCCCCC[C@H](C(=O)OCC)P(=O)(OCC)OCC 100303680 SWOHHTMHABHFNE-LJQANCHMSA-N 392.517 6.495 30 40 GKEB Cc1ccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 408629325 XBDXVKJXLWZIMD-HNNXBMFYSA-N 382.529 5.097 30 40 GKEB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N/c2ccc(F)c(Cl)c2)c1C 408908881 DTZCPOOADUMTHF-BHGWPJFGSA-N 384.838 5.644 30 40 GKEB O=C1NC(=Nc2ccc(Cl)c(Cl)c2)S/C1=C\c1ccc(Cl)s1 408966394 MMPNXQWIIPDZDX-WDZFZDKYSA-N 389.716 5.600 30 40 GKEB CCCCCOc1ccc(/C=N/Nc2nc(-c3ccccc3)cs2)cc1OC 408984672 JMQDAODXMFLEHA-HZHRSRAPSA-N 395.528 5.834 30 40 GKEB Cc1ccc(COc2cccc(/C=N\c3ccc(Oc4ccccc4)cc3)c2)cc1 409203814 YYYDRZDERBNSFQ-USHMODERSA-N 393.486 7.117 30 40 GKEB CCOC(=O)c1c(-c2ccccc2)csc1/N=C/c1ccc([N+](=O)[O-])cc1 821590 UCDJGGQHEAVTAY-CIAFOILYSA-N 380.425 5.251 30 40 GKEB N#CCSc1ccccc1NC(=O)CSc1c(Cl)cccc1Cl 5038167 SOBYDONGVGVACW-UHFFFAOYSA-N 383.325 5.340 30 40 GKEB CC1=C[C@@H]2C(C)(C)CC(=O)C[C@]2(C)C[C@@H]1COc1ccc2c(c1)CC(=O)C=C2 5427225 FJQNHXDZOCYVOZ-NIDLKEISSA-N 378.512 5.182 30 40 GKEB Cc1c(/C=N/Nc2c(Cl)cc(Cl)cc2Cl)c2ccccn2c1C#N 5523798 KGZLUMNBFDPSDF-LSFURLLWSA-N 377.662 5.526 30 40 GKEB CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCc1cccc(F)c1 6961450 MYRJCBLROBCUNW-VULFUBBASA-N 397.877 6.516 30 40 GKEB CCOc1cc(/C=N/c2ccccc2)ccc1OCc1cccc2ccccc12 6961500 CQOASRRBEKYDBB-OVVQPSECSA-N 381.475 6.568 30 40 GKEB Cn1cc(/C=C2/S/C(=N\c3cccc4ccccc34)NC2=O)c2ccccc21 8417814 MXIVRFZCMXZKNH-FYJGNVAPSA-N 383.476 5.223 30 40 GKEB N#Cc1ccccc1Cn1cc(/C=N/NCc2ccccc2Cl)c2ccccc21 8811561 VBPAOFAAFXWTEZ-RWPZCVJISA-N 398.897 5.338 30 40 GKEB C[C@H]1CCCC[C@H]1n1c(SCc2ccc(C#N)cc2)nnc1-c1cccnc1 8887050 IHQPLTRJXYYUOZ-OXJNMPFZSA-N 389.528 5.255 30 40 GKEB N#Cc1nc(-c2ccc(COc3ccc(Cl)cc3)o2)oc1NC1CCCCC1 12418930 PSEODKBYFCYEGX-UHFFFAOYSA-N 397.862 5.783 30 40 GKEB O=C1N/C(=N/c2ccc(Cl)cc2)S/C1=C/c1ccc(Cl)cc1Cl 35647456 NVRDHNUSBWYSJJ-VGOFMYFVSA-N 383.687 5.538 30 40 GKEB CCCCCCCCCCOC(=O)C[N+](C)(C)CCC[C@H](O)c1ccccc1 97949433 TWXLXMCSCXBNKS-QHCPKHFHSA-N 392.604 5.261 30 40 GKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N\c3ccc(Cl)cc3O)c2C)cc1 408776643 YBSWISRQAJNPBF-CFRMEGHHSA-N 396.874 5.380 30 40 GKEB C=C(C)Cc1cc([C@@H](CC)[C@H](CC)c2ccc(O)c(CC(=C)C)c2)ccc1O 1677715 WQKVOILCLLTXIZ-DNQXCXABSA-N 378.556 7.022 30 40 GKEB COc1ccc(/C=N/c2ccc(-c3ccc(/N=N/c4ccccc4)cc3)cc2)cc1 4266010 PJEKNWSZXDHRQF-UXNDTFEGSA-N 391.474 7.528 30 40 GKEB CCC[C@H](C)Sc1nc(-c2cccs2)cc(-c2ccc(Cl)cc2)c1C#N 4620369 RWQAAIUQOMXTBN-AWEZNQCLSA-N 398.984 7.283 30 40 GKEB COc1ccc(N/N=C(/C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)cc1 5023318 CIWPXICRCFEMMG-QOMWVZHYSA-N 390.512 5.357 30 40 GKEB C[C@@H](/C=N/NC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 5417690 NMYLZOHYVZJUPI-ZOCVZFIWSA-N 385.842 5.435 30 40 GKEB CC1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1 5787368 OIVKUSWMDOLWGJ-INIZCTEOSA-N 395.673 5.158 30 40 GKEB N#C[C@@H](c1ccc([N+](=O)[O-])cc1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 6530163 HCYFSMAEWOXBOE-PKTZIBPZSA-N 382.423 5.011 30 40 GKEB N#Cc1ccc(COc2ccc3c(=O)c(Oc4ccc(F)cc4)coc3c2)cc1 8244117 NVLPHUPGXUVUBS-UHFFFAOYSA-N 387.366 5.175 30 40 GKEB COc1cc(/C=N/c2ccc(C)cc2C)ccc1OCc1cccc2ccccc12 8368708 XJYOZFHFTZBXHA-OGLMXYFKSA-N 395.502 6.795 30 40 GKEB CC[C@H](C)Nc1oc(-c2ccc(COc3ccc4ccccc4c3)o2)nc1C#N 33026992 NGKDVHUMPUDIEL-HNNXBMFYSA-N 387.439 5.749 30 40 GKEB Cc1nn(CC(C)C)c2sc(C(=O)[C@H](C#N)c3nc4ccccc4s3)cc12 84067997 IODFUTVUYSAYLY-AWEZNQCLSA-N 394.525 5.162 30 40 GKEB CC1=CC(C)(C)N2C(=O)/C(=N/c3cccc(C(F)(F)F)c3)c3cc(C)cc1c32 100117532 XRKAJKXITZNZAW-NLRVBDNBSA-N 384.401 5.677 30 40 GKEB CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)c(C#N)c1 225823736 HXAANBNQPYJQBV-UHFFFAOYSA-N 388.552 5.399 30 40 GKEB C=CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CC2)cc1C(F)(F)F 225956514 YANBTWLJGXDBOV-UHFFFAOYSA-N 375.390 5.249 30 40 GKEB CCCc1ccc(-c2ccc(C(=O)C(F)(F)C(F)(F)C(F)(F)F)cc2)cc1 575359184 XEXXJRPEDKQDEC-UHFFFAOYSA-N 392.314 6.322 30 40 GKEB Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccs2)cc1 729492 WCLSGIZZZLWDOK-BXKMTCNYSA-N 386.520 6.036 30 40 GKEB Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 815764 GXATZACNKRJXHB-BXKMTCNYSA-N 386.520 6.036 30 40 GKEB Cc1ccc(-c2ccc(OCC(=O)Nc3ccc(C#N)c(Cl)c3)cc2)cc1 2663825 BCINNLLKKRPAJY-UHFFFAOYSA-N 376.843 5.205 30 40 GKEB COc1cc2ccccc2cc1C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 3205596 CSGUQHRFXMGSKU-UHFFFAOYSA-N 385.448 5.096 30 40 GKEB COc1ccc(-c2nnc(SCc3ccc(C#N)cc3)n2-c2ccccc2)cc1 3226188 NDMVVHQOTNDREW-UHFFFAOYSA-N 398.491 5.107 30 40 GKEB Cc1cccc(C)c1-n1nnnc1C1(/N=C/c2ccc(Cl)cc2)CCCCC1 4414625 ZSKNLQXBXONUHA-BUVRLJJBSA-N 393.922 5.211 30 40 GKEB Cc1ccccc1/N=C/c1c(O)c(Br)cc2oc3c(c12)CCCC3 4808277 CWRNQZNYGRSRTP-SSDVNMTOSA-N 384.273 5.839 30 40 GKEB CC1(C)CC(=O)c2c([nH]c(=S)c(C#N)c2-c2ccc(Br)cc2)C1 5155518 WGNSUWGQZFXHLG-UHFFFAOYSA-N 387.302 5.200 30 40 GKEB CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1 6620729 BHLSWCHAQCHCNV-NRFANRHFSA-N 377.484 5.154 30 40 GKEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccccc1Cc1ccccc1 7667489 GRAZUXWWVUFBMR-UHFFFAOYSA-N 381.435 5.094 30 40 GKEB N#Cc1ccc(Cn2cc(/C=N/NCc3ccccc3Cl)c3ccccc32)cc1 8812002 QPNJEVPFSGASRA-RWPZCVJISA-N 398.897 5.338 30 40 GKEB C=C1CC[C@H](O)C(C)(C)[C@@H]1CC/C(C)=C\COc1ccc2ccc(=O)oc2c1 15214245 XXKXCRGLMFAXTK-KTRRDNADSA-N 382.500 5.252 30 40 GKEB endogenous,in-man CCc1cc2c(cc1C(=O)/C=C\c1cccc3ccccc13)C(C)(C)CCC2(C)C 17023014 UNWKXBDCZWXGOH-PFONDFGASA-N 396.574 7.647 30 40 GKEB CCCN(CCC)Cc1c(O)ccc2c1O/C(=C\c1cccc(Cl)c1)C2=O 20646671 MURQPDSBQSNLMD-MOSHPQCFSA-N 385.891 5.284 30 40 GKEB O=C(/C=C/C1=C(N2CCCCCC2)Cc2ccccc21)c1ccc(Cl)cc1 55120949 JDAVQFRJKCROHY-BUHFOSPRSA-N 377.915 5.922 30 40 GKEB CC1(C)OC=CC(=C=Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)O1 95482128 GLCPMQFIHVZXOG-UHFFFAOYSA-N 382.419 5.967 30 40 GKEB CCCCCCCNC(=O)CCC(=O)Nc1ccc(OCc2ccccc2)cc1 98045219 KBBLWPVVYHMOSL-UHFFFAOYSA-N 396.531 5.071 30 40 GKEB CCCCCCCCNCc1cc(Cl)c(OCc2ccccc2)c(OC)c1 102561894 PDPBTBIPSOMPCH-UHFFFAOYSA-N 389.967 6.378 30 40 GKEB CCCCCCCCCCCCCCCCCCCCCCC(F)(F)F 103526343 HNMMAJKFYIPIOU-UHFFFAOYSA-N 378.607 9.761 30 40 GKEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccccc1F)C2=O 118916372 GEMAOHATSXXMSE-YOMACKGWSA-N 394.530 5.712 30 40 GKEB C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](OC(=O)c1ccccc1)c1ccnc2ccccc12 138694254 XOEFQGQIXMPRIN-BPHUOMJKSA-N 398.506 5.029 30 40 GKEB biogenic CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)c(C#N)c1 225763084 YSCLKIBWMSWEHP-KRWDZBQOSA-N 394.490 5.715 30 40 GKEB C=CCOc1ccccc1/C=C1/SC(=S)N(c2cccc(Cl)c2)C1=O 408533974 RQTZCIPOEDOQNU-GZTJUZNOSA-N 387.913 5.311 30 40 GKEB C[C@@H](NC(=O)COc1ccc(/C=N\c2ccccc2Cl)cc1)c1ccccc1 408808014 IRXHQFNYLNFGTH-WZJLVRHISA-N 392.886 5.347 30 40 GKEB CCCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(CCC)C2=O)cc1 408906075 HDAWEBZSMOOUTD-SUJVXMJXSA-N 380.513 5.489 30 40 GKEB COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1 408939426 MLZDFEZCSWUXSD-OCMSHMNRSA-N 380.491 6.272 30 40 GKEB COc1ccc(C/N=C\c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)cc1 408945972 OLFHJNCVPHBZRE-CFRMEGHHSA-N 396.874 5.073 30 40 GKEB O=C1C[C@H](c2ccccc2)CC(Nc2ccccc2)=C1C(=O)Nc1ccccc1 1410826 KRERAPVMLPSRFQ-LJQANCHMSA-N 382.463 5.138 30 40 GKEB CCCCCCCCn1c(/N=C/c2cc(OC)ccc2O)nc2ccccc21 2270101 LEIFKRFLGYQSRR-JJIBRWJFSA-N 379.504 5.862 30 40 GKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)COc3ccccc3)c2C#N)C1 2744780 PGCYPNMGUGQHCL-HNNXBMFYSA-N 382.529 5.178 30 40 GKEB Cc1c(C(=O)O)cccc1-c1ccc(/C=N\Nc2nc3ccccc3s2)o1 4655935 WRYUQDYTDHZOQS-NHDPSOOVSA-N 377.425 5.009 30 40 GKEB Oc1ccc(Br)cc1/C=N/c1ccc(N2CCCCC2)c(Cl)c1 5571603 IHWCFWXSCHUEAH-CIAFOILYSA-N 393.712 5.549 30 40 GKEB C=CCOc1ccc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1 20050943 LDDRGJNDWNCPSO-UHFFFAOYSA-N 384.479 5.066 30 40 GKEB COc1ccc2c(c1)CCc1sc(/N=C/c3cccc(Br)c3)nc1-2 59459291 QCQMXXDDJFNEFG-SRZZPIQSSA-N 399.313 5.430 30 40 GKEB Cc1ccc(C23C[C@H]4C[C@@H](CC(C/N=C\c5ccc([N+](=O)[O-])cc5)(C4)C2)C3)cc1 100846471 IQPOULBKFWKOFY-ZZABGVLSSA-N 388.511 5.860 30 40 GKEB C=CCOC(=O)c1cc(Cl)c2[nH]c(-c3ccc(Cl)cc3Cl)nc2c1 226344684 QDRUUMPUXIXALL-UHFFFAOYSA-N 381.646 5.533 30 40 GKEB Cc1ccc2nc(-c3ccc(N=Cc4ccc(Cl)c(Cl)c4)cc3)sc2c1 245228777 FKQNYALAUMOZNB-UHFFFAOYSA-N 397.330 7.329 30 40 GKEB Cc1cc(/C=N/c2ccc(C(=O)O)c(Cl)c2)c(C)n1-c1cccc([N+](=O)[O-])c1 408784254 PUYBZMWDBHHVTR-SSDVNMTOSA-N 397.818 5.105 30 40 GKEB C/C(=N\Nc1nc(-c2ccccc2)c(C)s1)c1ccc(Br)cc1 408925472 TZJQQMDFIUSEIU-CIAFOILYSA-N 386.318 5.717 30 40 GKEB Cc1ccc(COc2ccc(/C=N/c3ccccc3)cc2Br)cc1 409214479 XNBUINRUJBOXLB-OEAKJJBVSA-N 380.285 6.087 30 40 GKEB CN1/C(=C\C=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)C(C)(C)c2ccccc21 685944459 OMVUCXHWGWSIMW-HAHDFKILSA-N 389.583 6.752 30 40 GKEB CN1CCc2c1nc1ccccc1c2/N=C1\CCCN1c1cccc(Cl)c1 980170 RMFSQBFZWOVKTI-LKUDQCMESA-N 376.891 5.211 30 40 GKEB O=[N+]([O-])c1ccc(-c2ccc(/C=N/c3ccc(Cl)c(Cl)c3)o2)c(Cl)c1 1051403 SFVIMKIZHCNDKH-ZVBGSRNCSA-N 395.629 6.566 30 40 GKEB COc1cccc(-c2csc(/C(C#N)=N\Nc3ccc(C(C)C)cc3)n2)c1 4175454 GVLGKVWSAMVZJB-PLRJNAJWSA-N 376.485 5.282 30 40 GKEB FC(F)(F)C(F)(F)C(F)(F)c1[nH]nc(-c2ccccc2)c1Br 4329263 CACZUFHSOSHVMU-UHFFFAOYSA-N 391.084 5.129 30 40 GKEB C=CCn1c(SCC(=C)C)nc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 4822471 QHBZJGSYPXLORC-AWEZNQCLSA-N 388.602 5.463 30 40 GKEB COc1cc(/C=N/NCc2ccc(Cl)cc2)ccc1OCc1ccccc1 10118736 LETUZPOFYLZCNP-MFKUBSTISA-N 380.875 5.051 30 40 GKEB O=c1oc2ccccc2c(NC2CCCCC2)c1/N=C(\O)c1cccc(F)c1 21155919 RHTLVADAOGJICD-UHFFFAOYSA-N 380.419 5.313 30 40 GKEB C=CCOc1ccc(/C=C2/SC(Nc3ccc(CCCC)cc3)=NC2=O)cc1 35043481 VPRMRRIWEMTELD-LTGZKZEYSA-N 392.524 5.676 30 40 GKEB Cc1cc(C)cc(-n2c(C)cc(/C=N/c3ccc(Cl)c([N+](=O)[O-])c3)c2C)c1 100116570 YSJKASVIDZETAD-FSJBWODESA-N 381.863 6.023 30 40 GKEB CCCN1C(=O)/C(=C\c2c(C)[nH]c3ccccc23)S/C1=N/c1ccccc1 100233596 ZSCAJMSZMULFPM-NFVLHAOASA-N 375.497 5.490 30 40 GKEB CCCCCCCCCCCCNC(=S)N/N=C\c1ccccc1C(=O)O 104380328 GDRUPLBFCZJQAB-QJOMJCCJSA-N 391.581 5.104 30 40 GKEB CCCCCCCCCCCCCCCCCCP(=O)(OCC)OCC 104741162 UEWWTCMOZVEWAQ-UHFFFAOYSA-N 390.589 8.514 30 40 GKEB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)c(C#N)c1 225679141 TWNDIWNQRGUSDF-GOSISDBHSA-N 376.500 5.495 30 40 GKEB Cc1sc(-n2c(C)cc(C=C3C(=O)c4ccccc4C3=O)c2C)c(C#N)c1C 408914167 OGZJYSYUHMEMPB-UHFFFAOYSA-N 386.476 5.107 30 40 GKEB COc1cc(/C=N\c2cccc(C)c2)ccc1OCc1ccc(C(=O)O)cc1 408967069 PRTWIQZLXHQMKR-OYKKKHCWSA-N 375.424 5.031 30 40 GKEB Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2ccccc2)c(C(=O)O)c1 409215915 GKKAFRAOAGDVIK-ZMOGYAJESA-N 379.843 5.676 30 40 GKEB Cc1cc2nc(-c3cccc(/N=C/c4c(O)ccc5ccccc45)c3)oc2cc1C 3169491 NCXIUKFYGOSIBA-JFLMPSFJSA-N 392.458 6.721 30 40 GKEB CCCOc1ccc(C(=O)/C(=C/c2ccncc2)c2nc3ccccc3o2)cc1 6246247 WWANTYYPCDFSEN-SILNSSARSA-N 384.435 5.435 30 40 GKEB CCOc1c(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC)C2=O)cccc1OC 8362907 KVWNGAUROJNHTO-XGHAMVSDSA-N 396.512 5.026 30 40 GKEB C=CCn1c(-c2ccc(C)cc2)c(NC(C)=O)s/c1=N\c1cccc(Cl)c1 13774001 IOIHKSFDENGUBW-FLFQWRMESA-N 397.931 5.555 30 40 GKEB C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccc4ccccc4c3)c12 89534504 REBGDQGKNJJHFH-FYWRMAATSA-N 391.474 5.833 30 40 GKEB C=CCc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(OCC)c1OCC 96471362 MVMVSUFERQWMEM-RCCKNPSSSA-N 390.483 5.019 30 40 GKEB CCCCCCCCCNC(=O)c1ccc(NC(=O)CCCCCCC)cc1 100028433 BETBWKNMYONBEC-UHFFFAOYSA-N 388.596 6.466 30 40 GKEB CCCCCCCCCCCCC(=O)NC1=C(O)C(=O)c2ccccc2C1=O 104106080 IKHHWSJNVMTQHE-UHFFFAOYSA-N 385.504 5.262 30 40 GKEB Cc1cc(/C=C2\SC(=Nc3cccc(Cl)c3)NC2=O)c(C)n1C1CCCC1 408769580 VXAUOKMMXXUINN-ODLFYWEKSA-N 399.947 5.765 30 40 GKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2cn(C)c3ccccc23)S1 408818108 ZHVZEMIXKUMCSK-ZDLGFXPLSA-N 381.888 5.032 30 40 GKEB O=C(NCc1ccco1)c1c(/N=C/c2ccccc2Cl)sc2c1CCCC2 408846986 KWKOTMGTMZDGFQ-WYMPLXKRSA-N 398.915 5.554 30 40 GKEB C[C@H](Oc1ccc(/C=N\c2ccc(-c3cc4ccccc4o3)cc2)cc1)C(=O)O 408955438 YDVQFKMUNUSTNN-GMQKBEEJSA-N 385.419 5.702 30 40 GKEB COc1ccc(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 695528 FJGZKGLFCAIYJE-INIZCTEOSA-N 396.556 5.351 30 40 GKEB CC1=C[C@]2(C)CCC(=O)C(Cc3c(CCCC4(C)OCCO4)noc3C)=C2CC1 5105766 QDOHAQQOSRZSCH-QHCPKHFHSA-N 399.531 5.017 30 40 GKEB CC(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O 5390086 XMPHCYBJGYJAIU-MFOYZWKCSA-N 377.223 5.171 30 40 GKEB C=C[C@H]1CN2CC[C@@H]1C[C@@H]2[C@@H](OC(=O)c1ccccc1)c1ccnc2ccccc12 6733647 XOEFQGQIXMPRIN-PWZUTMABSA-N 398.506 5.029 30 40 GKEB O=C1C(c2ccccc2)=C(c2ccccc2)/C1=C/c1ccc(Cl)cc1Cl 17105100 CTSYKSQPDJGUFN-UYRXBGFRSA-N 377.270 6.571 30 40 GKEB O=C1CCCC2=C1[C@H](c1ccc(C(F)(F)F)cc1)C1=C(O)c3ccccc3C1=N2 18032675 KCVYURKCDSZROI-SFHVURJKSA-N 395.380 5.582 30 40 GKEB OC1=NC(=N\c2cc(F)c(F)c(F)c2)/C(=C/c2cccc3cccnc23)S1 72400642 DWJXFYPFLNRHHO-CHHVJCJISA-N 385.370 5.384 30 40 GKEB O=C1/C(=C/c2ccccc2Cl)S/C(=N/c2ccccc2)N1C1CCCC1 100389538 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CCOC(=O)c1cccc(/N=C\c2cc(C)n(-c3ccc4ncccc4c3)c2C)c1 408967125 PWDFVXZFRHJTCP-YUMHPJSZSA-N 397.478 5.570 30 40 GKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N\c3ccccc3OCC)c2C)c1 408968594 XSFGYZUKEIWZIE-XYGWBWBKSA-N 390.483 5.420 30 40 GKEB C=CCN1C(=O)S/C(=C/c2ccccc2OCc2ccc(Cl)cc2)C1=O 409104670 DMWBQZUDAOBPEG-LDADJPATSA-N 385.872 5.141 30 40 GKEB Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/c3ccccc3)cc2Cl)cc1 409215779 ATWXDOIEUGRTQY-HYARGMPZSA-N 385.872 5.167 30 40 GKEB CC[C@H](C)Oc1c(Cl)cc(/C=N\c2ccccc2Br)cc1OC 409380071 GUPWSYIOKWBNHZ-WLQYJRLHSA-N 396.712 6.039 30 40 GKEB O=C1c2cccc3cccc(c23)C(=O)N1c1ccc(/N=C/c2ccccc2O)cc1 821790 GUYRXRJDAZSKHJ-CVKSISIWSA-N 392.414 5.097 30 40 GKEB N#Cc1c(/N=C/c2c(O)ccc3ccccc23)oc(-c2ccco2)c1-c1ccco1 1513015 HEYGEMVDTJYCDY-VULFUBBASA-N 394.386 6.281 30 40 GKEB C/C(=N\N(C)c1nc(-c2ccccc2)cc(-c2ccccc2)n1)c1ccc(F)cc1 4595671 FGEIACVZHAVQFB-RDRPBHBLSA-N 396.469 5.810 30 40 GKEB CC(C)C1=C[C@@]23CC[C@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@@H]1[C@H](C#N)[C@@H]3C#N 4720789 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COc1ccc(-n2cccc2/C=N/c2ccc(-c3cc4ccccc4o3)cc2)cc1 408950505 FTWWQLXNUURION-OVVQPSECSA-N 392.458 6.650 30 40 GKEB O=C(/C=C/Nc1ccc(Br)cc1Br)c1cccs1 409343857 IPFNSOWRHJNOLX-AATRIKPKSA-N 387.096 5.082 30 40 GKEB CC1(C)CC2=NC3=C(C(=O)CC(C)(C)C3)[C@@H](c3cccc([N+](=O)[O-])c3)C2=C(O)C1 947110 XPCACXVMMSBFDW-IBGZPJMESA-N 394.471 5.408 30 40 GKEB N#Cc1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1Cl 985302 WTWVQTNPZGFEGR-UHFFFAOYSA-N 383.838 5.679 30 40 GKEB C=C(C)CSc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 1755511 LPBZAIDSMZJIAY-UHFFFAOYSA-N 389.549 6.063 30 40 GKEB Oc1ccccc1/C=N/c1cc(C(F)(F)F)ccc1Oc1ccc(Cl)cc1 2188330 SKNAOBAPWSKIAR-BRJLIKDPSA-N 391.776 6.607 30 40 GKEB CCCCCCCCn1c(N)c(C(=O)OCC(C)C)c2nc3ccccc3nc21 2246431 CPKOUINMKNOCHE-UHFFFAOYSA-N 396.535 5.340 30 40 GKEB Cc1ccc(-c2csc(/C(C#N)=N/Nc3cccc(C(F)(F)F)c3)n2)cc1 4175477 XCDLPKADABXERC-WGOQTCKBSA-N 386.402 5.477 30 40 GKEB O=C(/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)c1ccccc1 4930051 UBMDKSDHGCZDJY-JXAWBTAJSA-N 386.432 5.628 30 40 GKEB C/C(=N\Nc1nc(-c2ccccc2)cc(-c2ccccc2O)n1)c1ccccc1 5003458 ZZTOZADEMOKZKJ-WPWMEQJKSA-N 380.451 5.352 30 40 GKEB Cn1c([C@@H](C#N)C(=O)[C@@H](Sc2ccccc2)c2ccccc2)nc2ccccc21 6567055 QRPPVVILVWRKMT-CVDCTZTESA-N 397.503 5.283 30 40 GKEB O=C(Oc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O)c1ccccc1 13778964 KSEFELCCYZRZLA-NDENLUEZSA-N 394.785 5.315 30 40 GKEB C=CCn1c(SCc2ccc(C(C)(C)C)cc2)nnc1-c1cccc(Cl)c1 16789172 NJLZMLDBBXJPNV-UHFFFAOYSA-N 397.975 6.374 30 40 GKEB CCCCCCCCC[C@@H]1C[C@H]1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 100052393 RTQFMHKEIOUPDD-RYODQQQOSA-N 391.559 7.817 30 40 GKEB C[C@H]1CC[C@@H]([C@@H]2C[C@H]3CC[C@H]2C3)/C(=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 108234416 GAQNEEVUJTXDHR-LOVRHYQZSA-N 386.452 5.143 30 40 GKEB COC(=O)c1ccccc1/N=C\c1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C 408968045 TZEJPFSFFMCAIH-QQXSKIMKSA-N 388.511 5.929 30 40 GKEB CC(C)Oc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 409091795 UVKWKVIWDYWQDN-NFXIUMSZSA-N 380.557 6.309 30 40 GKEB O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccc(Cl)c(Cl)c1 409408040 WORORQGKXHRNHE-UHFFFAOYSA-N 394.261 5.253 30 40 GKEB C=C(C)C(=O)OCCCCCCCCCCCP(=O)(OCC)OCC 627274953 ZBAZOWKFSUVIAU-UHFFFAOYSA-N 376.474 5.883 30 40 GKEB Cc1cccc(C(C)C)c1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 2750782 BJPPENABZUUINU-UHFFFAOYSA-N 395.265 5.525 30 40 GKEB N#CCCN(C(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccccc1F 3287324 IXPCUDHMFUPPGH-UHFFFAOYSA-N 393.270 5.908 30 40 GKEB C[C@H]1CCc2c(sc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c2C#N)C1 4078793 PPIDBJOABOLVIO-JTQLQIEISA-N 397.481 5.120 30 40 GKEB CCCCc1ccc2nccc(N/N=C\c3ccc(OC)c4ccccc34)c2c1 5392950 OVHKMDYNSDTOLJ-PKAZHMFMSA-N 383.495 6.185 30 40 GKEB CC(=O)Nc1sc(N/N=C/c2ccc(C(C)C)cc2)nc1-c1ccc(C)cc1 8770310 MVTCYIFLVHIFGJ-YDZHTSKRSA-N 392.528 5.646 30 40 GKEB O=C(/C=C/Nc1ccc(Br)cc1)c1ccc(-c2ccccc2)cc1 32100194 FLRPXWPNHLREDE-CCEZHUSRSA-N 378.269 5.925 30 40 GKEB COc1ccc(-n2c(C)cc(/C=N\Nc3nc4ccccc4s3)c2C)cc1 33330741 JMMDINWMMQQKEW-XKZIYDEJSA-N 376.485 5.158 30 40 GKEB C(=N\c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)\c1ccc(N2CCCC2)cc1 59105114 JWVMKGDAIMYIAH-USHMODERSA-N 384.567 6.505 30 40 GKEB C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccccc1SCCC#N 78668901 ZOJNVTWRHMWTSI-LBPRGKRZSA-N 395.311 5.405 30 40 GKEB CCCCN1C(=O)/C(=C\c2c[nH]c3ccccc23)S/C1=N/c1ccccc1 100297107 IOYJVJOSNPUXJC-NFVLHAOASA-N 375.497 5.572 30 40 GKEB CCCCCCCCCCCCCCOC(=O)[C@@H](N)[C@@H](O)c1ccccc1 100550851 OIVGXPSRTPKUPQ-VXKWHMMOSA-N 377.569 5.292 30 40 GKEB CCCCCCCCNCc1ccc(OCc2cccc(Cl)c2)c(OC)c1 102561711 HSWGKGSURTUYRR-UHFFFAOYSA-N 389.967 6.378 30 40 GKEB Oc1ccccc1/C=N/[C@@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1 103547535 NUGMMURPTOZEGE-KWKULGJVSA-N 393.486 5.489 30 40 GKEB N#CCc1ccc(NC(=S)NCCCSCc2ccc(Cl)cc2)cc1 225609465 BXQADGQOOHTFJK-UHFFFAOYSA-N 389.977 5.016 30 40 GKEB COC(=O)c1ccc(Cn2cc(/C=N/c3ccc(C)c(C)c3)c3ccccc32)o1 409394183 WVWCMZMBQDAZTK-DHRITJCHSA-N 386.451 5.437 30 40 GKEB O=C(c1cc(OC(F)(F)F)ccc1Cl)C(F)(F)C(F)(F)C(F)(F)F 575361628 ZYTNTIYEGNHFQX-UHFFFAOYSA-N 392.576 5.254 30 40 GKEB C=CCn1c(-c2ccc(Br)cc2)csc1=Nc1cccc(C)c1C 584905955 LHUJBXBANOVYNH-UHFFFAOYSA-N 399.357 6.014 30 40 GKEB N#Cc1cc(-c2cccc(C(F)(F)F)c2)cnc1Oc1ccc(F)cc1F 3133673 ASRKGDCPIAQNIS-UHFFFAOYSA-N 376.284 5.710 30 40 GKEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(C)cc2)C[C@@H]1c1ccc(C(C)C)cc1 4119650 LNMJNVLTQYLSMM-VWNXMTODSA-N 376.496 5.438 30 40 GKEB CCCC(=O)Nc1ccc(-c2csc(N/N=C(/C)c3ccccc3)n2)cc1 4995598 CVIHOGVRNUWVKI-IWIPYMOSSA-N 378.501 5.385 30 40 GKEB Cc1ccc(-c2nnc(S)n2/N=C\c2cccc(Oc3ccccc3)c2)cc1 5794966 LXHLHDRDHCMVKM-HAHDFKILSA-N 386.480 5.217 30 40 GKEB CCc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 8084541 FFNSKUKGEVGHNW-ZVHZXABRSA-N 394.858 6.140 30 40 GKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)C4=CCCC[C@]4(C)[C@H]3CC[C@@]21C 39348895 FMYMXBRJEWJNNX-VHHOZFFRSA-N 384.648 7.597 30 40 GKEB Ic1ccccc1/N=C/c1ccc(N2CCCCC2)cc1 59104724 FQVBSZSZYQFPCY-XSFVSMFZSA-N 390.268 5.032 30 40 GKEB CC(=O)c1cccc(/N=C/c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)c1 59303254 XNSFCIZGKMOWGN-WYMPLXKRSA-N 394.858 5.399 30 40 GKEB FC(F)(F)C(F)(F)c1cc(Br)cnc1C(F)(F)C(F)(F)F 97949899 IHWQZXKXUVEDQF-UHFFFAOYSA-N 394.006 5.152 30 40 GKEB Clc1ccc(/C=N\CCC/N=C/c2ccc(Cl)c(Cl)c2)cc1Cl 100391500 GPEJZVNHKMUIGF-BKNYSILLSA-N 388.125 6.228 30 40 GKEB CCCCCCCCCCCCCCCCCCCC/C=C/C(F)(F)F 103531332 XWZRKIROWQYHDQ-QURGRASLSA-N 376.591 9.537 30 40 GKEB CCCCCCCOc1ccccc1/C=N/Nc1nc(-c2ccccc2)cs1 105450171 FTFBBCQGIRBDNP-JJIBRWJFSA-N 393.556 6.605 30 40 GKEB Cc1ccc(-n2c(C)cc(/C=N\c3ccc(Br)cc3)c2C)cc1C 408740146 IWJFTTBXUQIZLM-QRVIBDJDSA-N 381.317 6.224 30 40 GKEB Cc1ccccc1N=C1NC(=O)/C(=C/c2ccc(Sc3ccccc3)o2)S1 408761853 HJZKVRWXMZQXQW-AQTBWJFISA-N 392.505 5.631 30 40 GKEB CCc1ccccc1-n1c(C)cc(/C=N/c2ccc(Cl)c(C(=O)OC)c2)c1C 408967314 PWSPJKOWAVCJLP-AFUMVMLFSA-N 394.902 5.847 30 40 GKEB Cc1cc(C)c2cc(C#N)c(SCC(=O)Nc3ccc(C)c(C)c3)nc2c1 1354370 JITGEKADDTUEDT-UHFFFAOYSA-N 375.497 5.071 30 40 GKEB N#CCCn1cc(-c2cccs2)c(C(=O)N(c2ccccc2)c2ccccc2)n1 3410569 AZWPHPJNZAZNRV-UHFFFAOYSA-N 398.491 5.504 30 40 GKEB Cc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 8371889 HHONOWCRQRFMQZ-OEAKJJBVSA-N 399.899 5.475 30 40 GKEB COc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1OCc1ccc(C)cc1 8372965 FBFBCGDWGVGSCB-AFUMVMLFSA-N 379.887 6.295 30 40 GKEB Cc1nc2sccn2c1/C=C/C(=O)c1cc2cc(Br)ccc2o1 12627247 AGAKEAGLLTZTFC-ONEGZZNKSA-N 387.258 5.109 30 40 GKEB CN1[C@H]2CC[C@@H]1/C(=C\c1ccccc1Cl)C(=O)/C2=C\c1ccccc1Cl 15974602 BPSIHESMRAEMQU-LJNKJSDOSA-N 384.306 5.506 30 40 GKEB O=C(Nc1ccccc1)c1c(/N=C/c2ccc([N+](=O)[O-])o2)sc2c1CCCC2 17080811 ILOPWLJEJQKSQK-CIAFOILYSA-N 395.440 5.131 30 40 GKEB CC(C)(C)c1cc(/C=C(/N=C\c2ccccc2)C(=O)O)cc(C(C)(C)C)c1O 20840378 ZIRBMEDBOBICRL-RCUNHXCJSA-N 379.500 5.532 30 40 GKEB CCCNc1c(/N=C(\O)Nc2ccc(C)c(Cl)c2)c(=O)oc2ccccc12 28048830 JXIDSLOAAKIFIS-UHFFFAOYSA-N 385.851 5.234 30 40 GKEB N#Cc1nc(-c2ccc(F)cc2)oc1Sc1ccc(Br)cc1 28405335 NSQKGEKBPAOYEH-UHFFFAOYSA-N 375.222 5.266 30 40 GKEB O=C1NC(=Nc2cccc(Cl)c2)S/C1=C/c1ccc(Cl)cc1Cl 408748385 CVTWASDDRJHSQD-MKMNVTDBSA-N 383.687 5.538 30 40 GKEB Cc1ccsc1/C=N\c1sc2c(c1C(=O)NCc1ccccc1)CCCC2 408927790 RGFNWZMRWQIBGS-OYKKKHCWSA-N 394.565 5.677 30 40 GKEB CCCCCCCCNC(=O)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1 408994998 KKFDEUANCXJTFH-UHFFFAOYSA-N 389.503 5.746 30 40 GKEB O=C(O)COc1ccc(Cl)cc1/C=N/c1ccc(Oc2ccccc2)cc1 409201161 MCTSFINFNHDMDA-YDZHTSKRSA-N 381.815 5.346 30 40 GKEB Cc1ccc2cc(C#N)c(SCC(=O)Nc3cccc(Cl)c3C)nc2c1 898912 KFNOEZROMZOEQW-UHFFFAOYSA-N 381.888 5.108 30 40 GKEB O=C1/C(=C/c2ccco2)Oc2cc(OCc3ccc(Cl)c(Cl)c3)ccc21 2413785 FQRQZVIETVHZPF-GRSHGNNSSA-N 387.218 5.782 30 40 GKEB C=C(C)c1cccc(C(C)(C)NC(=O)Nc2nc3c(C)cc(C)cc3s2)c1 3166607 MXBWJMAYHJKUEK-UHFFFAOYSA-N 379.529 6.003 30 40 GKEB Fc1ccc(Br)cc1/C=N/Nc1c(Cl)cc(Cl)cc1Cl 4188767 XMQYKHXZMGSYNZ-KPSZGOFPSA-N 396.474 5.994 30 40 GKEB O=C(O)c1ccc(-c2ccc(/C=C3/Sc4ccccc4C3=O)o2)cc1Cl 4474876 ZIOMQVRMJBCIHQ-VCHYOVAHSA-N 382.824 5.628 30 40 GKEB C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N/N=C(\C)c1ccccc1O 4476801 GPALEEIYZWAGNZ-DAEAJKMYSA-N 383.904 5.087 30 40 GKEB CCCC[C@@H]1S/C(=N/N=C/c2ccccc2)N(Cc2ccccc2C)C1=O 4898710 HIZMJNVAYKEKLE-IQZBWDKASA-N 379.529 5.019 30 40 GKEB N#Cc1ccc(COC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)cc1 5517359 RLYBMHOLANLZKU-UHFFFAOYSA-N 398.849 5.784 30 40 GKEB Cc1cccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3c2c(C)nn3-c2ccccc2)c1 5603777 BKOJHXYGZLYFDK-QHCPKHFHSA-N 397.522 5.690 30 40 GKEB C[C@@H]1CSC(=C(C(=O)/C=C/c2ccccc2)C(=O)/C=C/c2ccccc2)S1 8383511 XRWQUKDQVXCKBD-SJDJNAOBSA-N 392.545 5.632 30 40 GKEB O=C1N/C(=N/c2cccc(C(F)(F)F)c2)S/C1=C/c1cccc2ccccc12 8436608 NOBIFCWJVUCXEQ-WOJGMQOQSA-N 398.409 5.750 30 40 GKEB COc1cc(/C=N/NCc2ccccc2Cl)ccc1OCc1ccc(C)cc1 8811856 JYUPCSJJADFFAA-AFUMVMLFSA-N 394.902 5.360 30 40 GKEB C=CC[n+]1c(-c2ccc(Cl)cc2Cl)csc1Nc1cccc(O)c1 26570012 QEEINGJDHFMOSF-UHFFFAOYSA-O 378.304 5.645 30 40 GKEB Fc1ccc(NC(=S)N/N=C2/C[C@@H](c3ccccc3)Oc3ccccc32)cc1 35729814 LDAJEDHWZPEVGW-XKCZREFCSA-N 391.471 5.040 30 40 GKEB O=C(/C=C/C1=C(N2CCCC2)Cc2ccccc21)c1ccc(Br)cc1 55112191 SGJCWZQCTZPTIL-VAWYXSNFSA-N 394.312 5.251 30 40 GKEB C=C1CC[C@H](O)C/C1=C/C=C1/CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C\[C@H](C)C(C)C 100618083 MECHNRXZTMCUDQ-GKMILSFDSA-N 396.659 7.641 30 40 GKEB c1ccc2c(c1)/C(=N\Nc1nc3ccccc3s1)c1nc3ccccc3nc1-2 100969565 QBXQRIXCLCOYDG-LHLOQNFPSA-N 379.448 5.084 30 40 GKEB CCCCCCCCCCCCNC(=O)COc1ccc(Cl)cc1Cl 102065556 MNUJKLHGDXYFGR-UHFFFAOYSA-N 388.379 6.409 30 40 GKEB CCCCCCCCCCCCCCCC/C(C(=O)OC)=C(\O)C(=O)OCC 104283991 DLBHDDYNOOLEJJ-QZQOTICOSA-N 398.584 6.406 30 40 GKEB CCc1cccc(C)c1-n1c(C)cc(/C=N\c2ccc(Cl)c(Cl)c2)c1C 408856411 IHGHYHWDJYXWFZ-MXAYSNPKSA-N 385.338 7.022 30 40 GKEB CC[C@@H](C)n1c(C)c(/C=N/CCNc2cccc3ccccc23)c2cccc(C)c21 409033282 KQUOAKILXBHVTK-CLCAUBNZSA-N 397.566 6.913 30 40 GKEB COc1ccccc1/N=C/c1cccc(OCC(=O)Nc2ccc(C)c(C)c2)c1 409378736 QYPQUGUTCUBUMG-MFKUBSTISA-N 388.467 5.080 30 40 GKEB S=C(/N=C(\Nc1ccccc1)SCc1ccccc1)Nc1ccccc1 2122639 SAWCDQJOCBWGGR-UHFFFAOYSA-N 377.538 5.785 30 40 GKEB Cc1cc(/C=N/Nc2nc3ccccc3[nH]2)c(C)n1-c1ccc(Cl)c(Cl)c1 4741867 MGYNDEYVHHEBPN-FOKLQQMPSA-N 398.297 5.723 30 40 GKEB Cc1ccc([C@@H]2Sc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 4747089 JKPNFIOHOVIGIE-IBVKSMDESA-N 397.543 6.655 30 40 GKEB Cc1ccc(C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)c2nc3ccccc3o2)cc1 4879987 QLOZTAADQRDWQH-OQKWZONESA-N 395.502 6.857 30 40 GKEB CCCCOc1ccc2nccc(N/N=C/c3ccc(OC)c4ccccc34)c2c1 5499235 RLNBMMMNYCWYPH-WPWMEQJKSA-N 399.494 6.022 30 40 GKEB Cc1cccc(/N=c2\scc(-c3ccccc3F)n2N=C2CCCC2)c1C 7988253 MQHOXUHQOYNWEB-GYHWCHFESA-N 379.504 5.983 30 40 GKEB Fc1ccccc1/C=N\Nc1nc(-c2ccc(Br)cc2)cs1 31854457 ZIXCDMBOZAUTCY-OCKHKDLRSA-N 376.254 5.158 30 40 GKEB CCCCCCCOc1ccccc1/C=C1\C(=O)ON=C1c1ccc(Cl)cc1 100730166 DTLQCFPILXHNTQ-SILNSSARSA-N 397.902 6.034 30 40 GKEB c1ccc([C@]23c4ccccc4/C(=N\C4CCCCC4)[C@@H]2N3C2CCCCC2)cc1 104083542 SHSOKWPHFHWYHE-DMFLHHQLSA-N 384.567 6.083 30 40 GKEB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/Nc3ccc([N+](=O)[O-])cc3)cc21 208460197 CMNYDCSCXBVYCX-WSDLNYQXSA-N 384.867 5.326 30 40 GKEB Cc1ccc(-c2oc(/N=C/c3cccs3)c(C#N)c2-c2ccc(C)cc2)cc1 409358216 KSYWQGASAFERPQ-CVKSISIWSA-N 382.488 6.914 30 40 GKEB Cc1ccc(C)c(/N=C/c2c(Nc3cc(C)ccc3C)nc3ccccn3c2=O)c1 793222 UQGHNTKQRLHJEZ-CVKSISIWSA-N 396.494 5.422 30 40 GKEB Cc1nc2cc(/N=C/c3nc4ccccc4n3Cc3ccccc3)ccc2n1C 2277630 CDYRCUXDVNCSDK-MFKUBSTISA-N 379.467 5.030 30 40 GKEB O[C@@](CC#CCN1CCCC1)(c1ccccc1)c1ccc(-c2ccccc2)cc1 2291494 MWUYMBBXAJPPHW-MHZLTWQESA-N 381.519 5.079 30 40 GKEB Clc1ccc(-c2ccc(/C=N/c3ccc4nc(-c5ccccc5)oc4c3)o2)cc1 3662510 VJFGJTYEWSKYSO-CVKSISIWSA-N 398.849 7.159 30 40 GKEB CCCc1ccc(O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 3671198 XDQQVUDIOGXBDB-OAHLLOKOSA-N 382.529 5.247 30 40 GKEB CC(C)(C)c1cc(C2=C(Cl)C(=O)c3ccccc3C2=O)c(C(C)(C)C)cc1O 3764838 RWLBWYXFYTZDFB-UHFFFAOYSA-N 396.914 6.016 30 40 GKEB COc1cccc(/C=N/Nc2nc(C(F)(F)F)c(-c3ccc(F)cc3)s2)c1 5352254 LKEPQGCADXVZTQ-AUEPDCJTSA-N 395.381 5.423 30 40 GKEB O=C1N/C(=N/c2ccc(Cl)c(C(F)(F)F)c2)S/C1=C/c1cccs1 5376771 MAUVZOCFRPVFQW-KPKJPENVSA-N 388.823 5.312 30 40 GKEB CCOc1ccc(C(=O)/C(=C\c2ccc(F)cc2)c2nc3ccccc3o2)cc1 5872861 AVJLGYYQROZYTL-HMMYKYKNSA-N 387.410 5.789 30 40 GKEB CCOc1cc(/C=N/c2ccccc2C)cc(Cl)c1OCc1ccc(C)cc1 6959840 FLWMOXSRWGIYPD-CVKSISIWSA-N 393.914 6.685 30 40 GKEB O=C(O)c1cccc(-c2ccc(/C=N/NCc3c(Cl)cccc3Cl)o2)c1 9195542 AUGBLNVAUKTTNB-LSHDLFTRSA-N 389.238 5.075 30 40 GKEB C/C(=C\C(=O)c1ccc(Br)cc1)Nc1cccc(Br)c1 32100455 DXTWMIBYCKJWBT-PKNBQFBNSA-N 395.094 5.410 30 40 GKEB O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1ccc(-c2ccc(F)cc2)o1 33908995 OZOPZPRCGDREAP-WOJGMQOQSA-N 398.846 5.631 30 40 GKEB Cc1ccc(-c2nc3c(C)cccc3o2)cc1/N=C/c1cc(Cl)ccc1O 100507073 BEEMSSYFEAGWMX-WYMPLXKRSA-N 376.843 6.221 30 40 GKEB COc1cc(/C=N/c2ccc(/N=N\c3ccccc3)cc2)c(O)c([N+](=O)[O-])c1 104211003 GSGJOOYVUBHNGR-KGGYLUOISA-N 376.372 5.475 30 40 GKEB Cc1cc(/C=N/N2C(=O)c3ccccc3C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 138790681 YDLZITWNQXROGS-CVKSISIWSA-N 399.494 5.022 30 40 GKEB CC1(C)[C@@H]2C[C@@H]1CC=C2/C=N\NC(=S)Nc1ccc(SC(F)F)cc1 229840679 PXUAVPICMYRWHS-MGFHSFHSSA-N 381.517 5.266 30 40 GKEB C=CCOc1ccc2ccccc2c1[C@@H]1SCC(=O)N1c1ccc(Cl)cc1 408558102 PTQYNAZAYSTGAM-QFIPXVFZSA-N 395.911 5.837 30 40 GKEB COc1ccc(NC(=O)COc2ccc(/C=N\c3ccccc3Cl)cc2)cc1 408803005 KIDWQQLVCNLLFH-OYKKKHCWSA-N 394.858 5.117 30 40 GKEB COc1cccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)c1 408915162 PHUMKECTZFGRIN-DYEBMTOPSA-N 380.513 5.264 30 40 GKEB Cc1cc2c3c(c1)/C(=N\c1ccccc1)C(=O)N3C(C)(C)C=C2CN1CCCCC1 618257507 YRTHFSLTWUREPZ-SLEBQGDGSA-N 399.538 5.124 30 40 GKEB Oc1c2c3c(noc3c3ccccc13)C(N1CCCC1)=C/C2=N\c1ccccc1 1241487 KAMDHDJRNQTURQ-XIEYBQDHSA-N 381.435 5.258 30 40 GKEB CCCCc1nc2sc(C(=O)OCC)c(/N=C/OCC)c2c2c1CCCC2 4785823 QBELLZILRSZJED-LPYMAVHISA-N 388.533 5.391 30 40 GKEB CCOc1cc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)ccc1O 6464496 NGUOJERYMJPLTD-WGOQTCKBSA-N 375.512 6.009 30 40 GKEB N#Cc1ccc(CSc2nnc(C(c3ccccc3)c3ccccc3)o2)cc1 9200049 QXUZYZXKTNWEIN-UHFFFAOYSA-N 383.476 5.414 30 40 GKEB CCCCCC/C=C\CCCCCCCCC(=O)c1cccc(OC)c1OC 73280916 WKMIZTKNDGODPV-KTKRTIGZSA-N 388.592 7.534 30 40 GKEB Cc1ccc(/N=C\c2cc(C)n(-c3ccc(F)cc3)c2C)c(Br)c1 408783205 MCVARWMZEMTCDW-FMCGGJTJSA-N 385.280 6.055 30 40 GKEB C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2cccs2)S/C1=N\c1ccccc1 408868771 BGTDDASQEUGZTG-PCDQMTBKSA-N 382.554 5.931 30 40 GKEB N#Cc1c(/N=C/c2ccccc2)oc(-c2ccccc2)c1-c1ccc(Cl)cc1 408974626 FQGOQNUMSLYWKH-JVWAILMASA-N 382.850 6.889 30 40 GKEB COc1ccc([C@@H]2N(c3ccccc3)OC(=O)N2c2ccc(Cl)cc2)cc1 2252731 WEJQANXFPQWXPX-FQEVSTJZSA-N 380.831 5.426 30 40 GKEB CC(C)Oc1ccc(/C=N/CC[C@]2(c3ccccc3)CCOC(C)(C)C2)cc1 2277243 FSNLOUKHIGYNAU-YYLNTILESA-N 379.544 5.810 30 40 GKEB N#Cc1ccc(-c2ccc(Cl)cc2Cl)nc1OC(=O)c1ccc(F)cc1 3051165 KSMIYZPTLLDEOZ-UHFFFAOYSA-N 387.197 5.285 30 40 GKEB CC(C)(C)c1ccc(-c2nc3cc(/N=C/c4ccc(Cl)cc4)ccc3o2)cc1 3184668 WLZCEYMEWJDHSO-CVKSISIWSA-N 388.898 7.196 30 40 GKEB Cc1ccc(-c2nn(-c3ccccc3)cc2COc2ccc(C#N)cc2)cc1C 3384229 WJXBUAVXAOKNLH-UHFFFAOYSA-N 379.463 5.607 30 40 GKEB COc1ccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 33424159 RFMYEQNRMZWMEZ-LFIBNONCSA-N 398.437 5.583 30 40 GKEB C[C@H]1C/C(=N/NC(=S)Nc2cc(C(F)(F)F)ccc2Cl)CC(C)(C)C1 35507236 CPWRAWFFVIGDHR-VDZLYJHLSA-N 391.890 5.847 30 40 GKEB O=C(Nc1ccccc1)c1cccc(CO/N=C/c2ccccc2OC(F)F)c1 59421142 RCNFJWMMIFWKHI-AFUMVMLFSA-N 396.393 5.091 30 40 GKEB CCCCCCCCCCCCCCS(=O)(=O)N(CCC#N)CCC#N 100933981 JHQGUMPDLFVJTG-UHFFFAOYSA-N 383.602 5.147 30 40 GKEB C=CCOc1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCCCC3)cc2)c1 225665996 BBJLHMZJGGMCFY-SFHVURJKSA-N 395.572 5.289 30 40 GKEB C=CCn1c(-c2ccc(Cl)cc2Cl)csc1=Nc1ccc(Cl)cc1 254340969 NLADNSXHNMYUPY-UHFFFAOYSA-N 395.742 6.595 30 40 GKEB CCOc1cccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)c1 408910428 IGBZCJZJPZRZPV-NFEGURHZSA-N 394.540 5.654 30 40 GKEB Cc1ccc(/N=C/c2cc(C)n(-c3ccc(C(=O)O)cc3C)c2C)c([N+](=O)[O-])c1 408910584 KWSVELOQQLPEHK-FSJBWODESA-N 391.427 5.068 30 40 GKEB CC[C@H]1S/C(=N/N=C/c2cccc3ccccc23)N(Cc2ccccc2)C1=O 4898495 ANHBODYUXROSCJ-ARGSHCIWSA-N 387.508 5.084 30 40 GKEB CC(C)c1ccc(/N=C2\NC(=O)[C@H](Cc3cc(Cl)ccc3Cl)S2)cc1 5862626 YSLAIIWUSDLCIJ-KRWDZBQOSA-N 393.339 5.579 30 40 GKEB O=C(/C(=C(/S)Nc1cccc2ccccc12)[n+]1ccccc1)c1ccccc1 6402809 UXMUUUYGNLTXRY-UHFFFAOYSA-O 383.496 5.178 30 40 GKEB Cc1ccccc1OCc1ccc(-c2nc(C#N)c(NCCc3ccccc3)o2)o1 9764272 PYBJZGYARRAHNV-UHFFFAOYSA-N 399.450 5.348 30 40 GKEB COc1ccc(N2C(SC)=N/C(=N\c3ccccc3)C23CCCCC3)cc1 12420768 YWLOPZQSDANPGM-ATJXCDBQSA-N 379.529 5.667 30 40 GKEB C[C@H]1[C@H](c2ccccc2)N(C)[C@@H](c2ccccc2)[C@@H](C)C1(O)C#Cc1ccccc1 13151753 HMVLFUWQWMPWKQ-ACVXAWIMSA-N 395.546 5.469 30 40 GKEB COc1cccc([C@@H]2Sc3ccccc3NC3=C2C(=O)CC(C)(C)C3)c1OC 14671942 OOKHYCGSSNZBHB-QFIPXVFZSA-N 395.524 5.606 30 40 GKEB O=C1C[C@H](c2cccc(F)c2)S/C(=N\c2ccccc2)N1c1ccccc1 17043623 SBWUCTYDMXDFEW-ZGKFLROHSA-N 376.456 5.725 30 40 GKEB Cc1ccsc1[C@@H]1C2=C(C[C@H](c3cccs3)CC2=O)Nc2[nH]nc(C)c21 18200084 VAZIIDINXXEBRI-SGTLLEGYSA-N 381.526 5.108 30 40 GKEB CCN(CC)c1ccc(N/C=C/C(=O)c2ccc(Br)cc2)c(C)c1 44843408 HNXJGGIIQKGEJP-OUKQBFOZSA-N 387.321 5.412 30 40 GKEB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccccc1F)C2=O 245228821 GEMAOHATSXXMSE-PXQWAQRQSA-N 394.530 5.712 30 40 GKEB C=C1CC[C@H](O)C/C1=C/C=C1/CCC[C@]2(C)[C@@H]1CC[C@@H]2[C@@H](C)/C=C/[C@@H](C)C(C)C 503915926 MECHNRXZTMCUDQ-HNYBRSELSA-N 396.659 7.641 30 40 GKEB COc1cc(OC)c(/C=N/c2ccc(Cl)cc2Cl)cc1Br 647450 YSEMPLMEIVDSAB-UFWORHAWSA-N 389.076 5.524 30 40 GKEB C[C@H]1[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H](C)C1(O)C#Cc1ccccc1 4133143 JVERHSPATOGMGT-DZDPFUOBSA-N 381.519 5.127 30 40 GKEB Cc1ccc(NC(=O)c2c(C)[nH]c(=S)c(C#N)c2-c2cccs2)c(C)c1 5442673 DVMMVTBLYDQELW-UHFFFAOYSA-N 379.510 5.522 30 40 GKEB COc1cccc(OC)c1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 5901755 LFLKRQYPOMOHAY-CYBMUJFWSA-N 398.528 5.040 30 40 GKEB Cc1csc(N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)n1 11992879 DQCYAELZNVEEFS-ZVBGSRNCSA-N 392.311 5.783 30 40 GKEB C=C1CC2=C(C(=O)CC(C)(C)C2)[C@H](c2ccc(N(CCC#N)CCC#N)cc2)C1 20120579 ZQRVFALNROUUGX-QFIPXVFZSA-N 387.527 5.440 30 40 GKEB C=CCc1cc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)ccc1OC 260455482 WOHPAJTZOPBLTE-OALUTQOASA-N 392.543 5.151 30 40 GKEB COc1ccc(/N=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@H]3C)cc1Cl 260569401 QBHDXHVEVOTQIF-OXVLKEGXSA-N 398.978 6.908 30 40 GKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2cccc3ccccc23)S1 408738233 JLCZCQXJQHAANQ-UNOMPAQXSA-N 378.884 5.693 30 40 GKEB C#CCOc1ccc2ccccc2c1/C=N/N(c1ccccc1)c1ccccc1 408814090 PXSSYFYOAZVUBO-NHFJDJAPSA-N 376.459 6.024 30 40 GKEB CC1=NOC(=O)/C1=C/c1cc(Cl)ccc1OCc1cccc2ccccc12 408935873 DZQVYHRCLDLJNU-UDWIEESQSA-N 377.827 5.388 30 40 GKEB Cc1cc(/C=N/Nc2nc3ccccc3s2)c(C)n1-c1cccc(Cl)c1 409063460 LEEXCTOJFVEQGV-WSDLNYQXSA-N 380.904 5.803 30 40 GKEB CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2ccc(C)cc2C)NC1=O 409094604 DSCPBOBNJYGSIL-WQRHYEAKSA-N 386.904 5.247 30 40 GKEB CCOc1ccc(/C=N/c2cccc(NC(=O)c3ccccc3Cl)c2)cc1 680936 OYAFILYMEHJYRI-BUVRLJJBSA-N 378.859 5.742 30 40 GKEB Cc1ccc2cc(C#N)c(SCC(=O)Nc3cccc4ccccc34)nc2c1 899124 IUPPNYUZNYCJAK-UHFFFAOYSA-N 383.476 5.299 30 40 GKEB COc1ccccc1-c1nnc(SCc2ccc(C#N)cc2)n1-c1ccccc1 2348593 QUGQQGJLNUUCAY-UHFFFAOYSA-N 398.491 5.107 30 40 GKEB Fc1cccc(Cl)c1/C=N/Nc1ncnc2scc(-c3ccccc3)c12 5529457 ZNYRLZGBCMIAJE-PGGKNCGUSA-N 382.851 5.597 30 40 GKEB CCOc1ccc(/C=N/Nc2c3ccccc3nc3ccccc23)cc1OCC 13284011 HJPFKPOITDKMLE-PCLIKHOPSA-N 385.467 5.631 30 40 GKEB CCOc1ccc2ccccc2c1/C=C1\S/C(=N/c2ccc(C)cc2)NC1=O 59433532 NWAWYFBNOKIBAK-STZFKDTASA-N 388.492 5.439 30 40 GKEB CCCCCCCCCCCCCCCCCC(=O)Nc1cccc(Cl)c1 98048081 WCPTZUKRUPKUJO-UHFFFAOYSA-N 394.043 8.540 30 40 GKEB CCOc1cccc(/C=N/c2ccc(-c3nc4cc(C)ccc4o3)c(O)c2)c1O 100505562 VVNJTWVTJMGSFC-ZMOGYAJESA-N 388.423 5.364 30 40 GKEB CCCCCCCCCCCCCCCCCc1cc2[nH]c3ccccc3n2n1 100988560 IFRJITXTOLKBQT-UHFFFAOYSA-N 395.635 8.230 30 40 GKEB CC(C)COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1C#N 225685211 VPHBYXDQFDSGGK-UHFFFAOYSA-N 396.918 5.697 30 40 GKEB C=CCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)c2ccccc12 225931344 IQLZSRPOKJIFBP-UHFFFAOYSA-N 385.507 6.245 30 40 GKEB C[C@H]1C/C(=C/c2cccc3ccccc23)C(=O)/C(=C/c2cccc3ccccc23)C1 245237349 KNBJEGHCMCXVDN-SXDDYXHFSA-N 388.510 7.459 30 40 GKEB COc1cc(/C=N/c2nc(-c3ccccc3)c(-c3ccccc3)s2)ccc1O 408722304 GTNAYGLYFFBSOI-BUVRLJJBSA-N 386.476 5.942 30 40 GKEB Cc1ccc(/N=C\c2ccc(Sc3nc(C)cc(C)n3)c([N+](=O)[O-])c2)cc1 409115012 GMJXTKHQKYHALN-MTJSOVHGSA-N 378.457 5.212 30 40 GKEB CCOc1cccc(/C=N/c2ccc3oc(-c4ccccc4Cl)nc3c2)c1O 779698 VBQMBPNWQFXIFB-ZMOGYAJESA-N 392.842 6.003 30 40 GKEB CN(C)c1ccc(CNc2sc3c(c2C#N)CCCCCCCCCC3)cc1 2060346 TXLNZLWADXDDID-UHFFFAOYSA-N 395.616 6.517 30 40 GKEB COc1ccc([C@@H]2Sc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1OC 4748758 KJEMQRSPGMIMMX-QFIPXVFZSA-N 395.524 5.606 30 40 GKEB C=CCN1C(=O)/C(=C\c2cc(/N=N/c3ccccc3)ccc2O)SC1=S 5201057 RAHKICODFUWOPE-UCEMORSKSA-N 381.482 5.195 30 40 GKEB N#C[C@@](Cc1ccccc1)(c1ccccc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 6282374 GPCHYAHWICKYDR-NRFANRHFSA-N 396.368 5.666 30 40 GKEB CCOc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1OCc1cccc(F)c1 6959866 QOPNJLUEIJLDIL-VULFUBBASA-N 397.877 6.516 30 40 GKEB Fc1ccc(C(F)(F)F)cc1NC(=S)Nc1ccccc1C(F)(F)F 6971745 ZQONTSXNWJTYFX-UHFFFAOYSA-N 382.304 5.672 30 40 GKEB N#CCCn1cc(C(=O)COc2ccc(Cl)c3cccnc23)c2ccccc21 7612259 FQKWAPSAKRVKRD-UHFFFAOYSA-N 389.842 5.018 30 40 GKEB Cc1nc(-c2ccccc2)sc1C(=O)Nc1sc2c(c1C#N)CCCC2 7996094 LHRCGSPQQYICMM-UHFFFAOYSA-N 379.510 5.183 30 40 GKEB Cc1cc(C(F)(F)F)c(C#N)c(SCCCC(=O)c2ccc(F)cc2)n1 8843579 LVNWLOICWWZQRV-UHFFFAOYSA-N 382.382 5.175 30 40 GKEB CCCc1cc(SCC(=O)c2ccc(C)cc2)n2c(nc3ccccc32)c1C#N 12693569 VDYVPWKSOMMOFB-UHFFFAOYSA-N 399.519 5.595 30 40 GKEB COc1cc2c(cc1OC)[C@H](c1ccc(C(C)C)cc1)C1=C(CCCC1=O)N2 18197204 VSLXGABPRQSZIQ-QHCPKHFHSA-N 377.484 5.392 30 40 GKEB N#Cc1c(NC(=O)c2ccco2)oc(-c2ccc(Cl)cc2)c1-c1ccccc1 19894521 QSYXBMPEVQFEQU-UHFFFAOYSA-N 388.810 5.984 30 40 GKEB N#Cc1c(-c2ccc(-c3ccccc3)o2)c(C#N)c2sc3ccccc3n2c1=O 96306133 GDOKYNFVBPRRKD-UHFFFAOYSA-N 393.427 5.185 30 40 GKEB CCCCCCCCCCCC(=O)CCCCCCCCCCCC(=O)OC 100302387 JDELEWMTVAEHAK-UHFFFAOYSA-N 396.656 7.941 30 40 GKEB C=C1CC[C@H](O)C/C1=C/C=C1/CCC[C@]2(C)[C@@H]1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C 106359982 MECHNRXZTMCUDQ-OQIFAQMLSA-N 396.659 7.641 30 40 GKEB Cc1c(/C=N/N=C2\CC[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]23C)cnn1C 118916361 FTSQLIABFSZKPD-VCKKEOTOSA-N 394.607 5.936 30 40 GKEB Cc1ccc(C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1 170522101 IQCOVBQXPOSBDQ-UHFFFAOYSA-N 378.431 6.046 30 40 GKEB C=CCN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 224718003 SKAJWBOAZLFGDL-UHFFFAOYSA-N 383.900 5.388 30 40 GKEB COC(=O)c1cc(/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)ccc1Cl 408762090 COPZQQINOLOPCC-ZMOGYAJESA-N 380.875 5.593 30 40 GKEB COc1ccccc1/C=C1/S/C(=N\c2ccc(C)cc2)N(CC(C)C)C1=O 408915947 SHCHSLRZYRASEV-DYEBMTOPSA-N 380.513 5.264 30 40 GKEB COC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cc1 408968768 YVRYGMCUNVFHMD-WGOQTCKBSA-N 388.511 5.929 30 40 GKEB CCN1C(=O)/C(=C\c2cccn2-c2ccccc2)S/C1=N/c1ccc(F)cc1 409228469 ZAFSOULAASDWFG-WJGQKVTCSA-N 391.471 5.240 30 40 GKEB CCCCCCCSc1ncnc2c1ncn2C(=O)Sc1ccccc1 1562110 OXMHIFABQKGZCI-UHFFFAOYSA-N 386.546 5.649 30 40 GKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)Nc3ccccc3Cl)c2C#N)C1 2772904 SDMNMICIKLXTAD-LBPRGKRZSA-N 387.936 6.068 30 40 GKEB C[C@H](Oc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1)c1ccccc1 4083336 FKUJUFQESFXFAY-CSUZIONRSA-N 375.497 5.147 30 40 GKEB CCCCCC/C(C[C@@H](SCC)c1ccccc1Cl)=N\NC(N)=S 5553142 AJBTYTVSUDZURP-AQRZYSDFSA-N 386.030 5.684 30 40 GKEB CCCCCCOc1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1 6050893 MCUZBMLURPERIB-UHFFFAOYSA-N 394.511 5.774 30 40 GKEB Cc1ccc(Cl)cc1-c1ccc(/C=C2/S/C(=N\c3ccccc3)NC2=O)o1 6280921 XQECHNASBFPNFX-XDHOZWIPSA-N 394.883 5.800 30 40 GKEB COc1cc(/C=N/c2ccccc2)cc(Cl)c1OCc1cccc(Cl)c1 8111149 VZMBINHUMSITSH-ZMOGYAJESA-N 386.278 6.332 30 40 GKEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccncc2)cc1 18106978 JPSRTIPVKBXNMI-AVRWGWEMSA-N 397.478 5.070 30 40 GKEB biogenic,in-vitro CCOc1ccc(/C=C2\SC(=N)[C@@H](c3nccs3)C2=O)c2ccccc12 33397911 YOKDBJOFUHPTBZ-OXYLHNFMSA-N 380.494 5.113 30 40 GKEB CC(C)(C)N(CC#CC(O)(c1ccccc1)c1ccccc1)Cc1ccccc1 96194470 GHEHDJXFFDPHII-UHFFFAOYSA-N 383.535 5.227 30 40 GKEB CCOc1ccc(/N=C/c2cccc(OC)c2OCc2ccccc2F)cc1 100384104 ALPGZPVLKMMCLN-MFKUBSTISA-N 379.431 5.563 30 40 GKEB CCCCCCCCOc1ccc(/C=C/c2nc(-c3ccccc3)cs2)cc1 103012164 BSPZERKSJHVKEU-OBGWFSINSA-N 391.580 7.720 30 40 GKEB Cc1cc(/C=N/OCc2ccccc2C#N)c(C)n1-c1ccc2ccccc2c1 408596436 ZELIKGUWLGZLPE-JVWAILMASA-N 379.463 5.670 30 40 GKEB Cc1cc(/C=N/c2ccc(C(C)C)cc2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408956845 ZURQQFZOPCJDLQ-DHRITJCHSA-N 394.902 6.320 30 40 GKEB CCc1ccccc1-n1c(C)cc(/C=N\c2ccc(C)cc2Br)c1C 408966956 OGDIMUQUAMMRMJ-OYKKKHCWSA-N 395.344 6.478 30 40 GKEB Cc1ccc(COc2ccc(/C=N/c3cccc(Cl)c3C)cc2Cl)cc1 409211522 JQBUMOQJYNQCOP-DHRITJCHSA-N 384.306 6.940 30 40 GKEB Cc1ccc(-c2nc3cc(/N=C/c4c(O)cc(C)c(Cl)c4C)ccc3o2)cc1 2071396 LOGDSDSXNCMBCJ-BRJLIKDPSA-N 390.870 6.530 30 40 GKEB Clc1ccc(Cl)c(-c2ccc(/C=N/Nc3nc4ccccc4s3)o2)c1 4893306 OPPPLYYTTNOCDL-UFFVCSGVSA-N 388.279 6.309 30 40 GKEB COC(=O)c1ccc(CSc2nc(-c3ccc(Cl)cc3)ccc2C#N)cc1 12249718 YDCVLESYDXQXAW-UHFFFAOYSA-N 394.883 5.353 30 40 GKEB N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)c(Cl)c2)nc1O 13399622 WGKWPTTXRVDXJW-UHFFFAOYSA-N 375.642 5.953 30 40 GKEB COc1ccc(C(=O)/C=C\Nc2cc(Cl)ccc2C(=O)c2ccccc2)cc1 16216143 ZEWJTJQLKIQUOB-YPKPFQOOSA-N 391.854 5.388 30 40 GKEB O=C1N/C(=N\c2ccc(Cl)c(Cl)c2)S/C1=C/c1ccc(Cl)cc1 35647436 NKBFVZSMDNZQQC-VGOFMYFVSA-N 383.687 5.538 30 40 GKEB CCCCCCCCOc1ccc(C(=O)Oc2ccc(O)c(C(=O)O)c2)cc1 59608501 RTTSPDXJBJOFQT-UHFFFAOYSA-N 386.444 5.049 30 40 GKEB C=CCOc1ccc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)cc1Br 83317628 XYFMXLZSKQTQDE-GZTJUZNOSA-N 397.268 5.304 30 40 GKEB CCCCCCCOc1ccc(NC(=O)[C@@H](C)Oc2c(C)cccc2C)cc1 97940384 VZBVEVYNWWHDLX-HXUWFJFHSA-N 383.532 6.059 30 40 GKEB CCCCCCCCCCCCCCCCCCO[C@@H]1CCS(=O)(=O)C1 100747835 MVFKZKKZEDBEOF-JOCHJYFZSA-N 388.658 6.452 30 40 GKEB CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1C#N 225764217 YEOVGFJZASNMFC-UHFFFAOYSA-N 396.918 5.841 30 40 GKEB Cc1ccc(C(C)C)cc1Oc1c(N)cc(C#N)n1Cc1ccc(Cl)cc1 225886960 XRYIGECFPBHLDC-UHFFFAOYSA-N 379.891 5.868 30 40 GKEB Cc1ccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1C 408629153 MKGTYFSHYDOMPF-MRXNPFEDSA-N 396.556 5.405 30 40 GKEB COc1ccc(C(=O)/C=C/c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1 408665601 UEBVGBKPIZTZEE-YRNVUSSQSA-N 395.886 5.661 30 40 GKEB C1=C[C@@H]2c3ccccc3N[C@H](c3ccc(/N=C/c4cc5ccccc5[nH]4)cc3)[C@H]2C1 408940018 TVXUVKLXFVUWNG-BMWFOGKBSA-N 389.502 6.745 30 40 GKEB COc1ccccc1Oc1ccc(/N=C/c2ccc(N3CCOCC3)cc2)cc1 409095835 DLTLQDITXJNJLM-XIEYBQDHSA-N 388.467 5.075 30 40 GKEB CSc1ccc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc1 1025781 BSMUCANIKIIEPV-QHCPKHFHSA-N 392.568 6.247 30 40 GKEB CCOC(=O)C1=C(Nc2ccc(C)cc2)S/C(=C/c2ccc(CC)cc2)C1=O 2814128 XPCKYNZBOCTIDL-XMHGGMMESA-N 393.508 5.101 30 40 GKEB Cc1cccc(N/N=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1 4175325 QLFMEAWXGCNMBG-LFVJCYFKSA-N 387.295 5.765 30 40 GKEB N#C/C(=N\Nc1cc(Cl)c(Cl)cc1Cl)c1nc2ccccc2s1 4292513 ZNLZNYQVJXOGIB-LPYMAVHISA-N 381.675 5.596 30 40 GKEB CCOc1cc(/C=N/c2ccc(C)cc2)ccc1OCc1cccc(Cl)c1 6961412 MBQPWYXTCYIQAJ-MFKUBSTISA-N 379.887 6.377 30 40 GKEB O=C(/C(=N/N=C\c1c(O)ccc2ccccc12)c1ccccc1)c1ccccc1 16955375 HDARXOBQELQFES-YWSZXEFUSA-N 378.431 5.252 30 40 GKEB CC(C)C(=N/Nc1nc2ccccc2o1)/N=N/c1ccc(Br)cc1 18053836 CLTHRFMWPJNGNT-WFOXIITASA-N 386.253 5.756 30 40 GKEB COc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccco1)C2 20274801 RQTHYXYXODOEIN-IZHWHUGBSA-N 386.451 5.268 30 40 GKEB CC/C(C)=N\Nc1nc2cc(C)c(NC(=O)c3cccc(C)c3)c(C)c2s1 72228580 JCMCHQOFCXOGFG-OYKKKHCWSA-N 380.517 5.672 30 40 GKEB COC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1Cl 408778327 DPEBWAPCFDFNCR-WYMPLXKRSA-N 384.838 5.424 30 40 GKEB Cc1cc(/C=N/Nc2ccc3ccccc3n2)cc(C)c1OCc1ccc(F)cc1 408856974 MEXBETZRJFYCSU-JFLMPSFJSA-N 399.469 6.016 30 40 GKEB Clc1cccc(COc2ccccc2/C=N/Nc2nc3ccccc3[nH]2)c1 409032493 CFSPTQMJAWFVNZ-YDZHTSKRSA-N 376.847 5.241 30 40 GKEB COc1cccc(/C=N/c2ccc(F)c(C)c2)c1OCc1ccc(C(=O)O)cc1 409186490 CSLMYLRFXIBBCM-DHRITJCHSA-N 393.414 5.171 30 40 GKEB Cc1cccc(NC(=O)COc2ccccc2/C=N/c2cccc(Cl)c2C)c1 409216559 JIQBPZRRGYWMBB-AFUMVMLFSA-N 392.886 5.725 30 40 GKEB CC1(C)CC(=O)C2=C(C1)[C@H](c1ccccc1Cl)Nc1ccc3ccccc3c12 3017148 XHILUWWOPIQFQX-DEOSSOPVSA-N 387.910 6.803 30 40 GKEB Cc1c(Cl)cccc1NC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1 3335956 DIRLVYCXFOJXNL-UHFFFAOYSA-N 376.843 5.205 30 40 GKEB C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@@H]1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C 5481905 MECHNRXZTMCUDQ-VRJASIGMSA-N 396.659 7.641 30 40 GKEB biogenic Oc1ccc(Cc2ccccc2Cl)cc1/C=N/c1ccccc1N1CCCC1 6615628 CAKABZXBVHBXLM-YZSQISJMSA-N 390.914 5.987 30 40 GKEB Cc1ccc(C)c(/N=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 8368220 MAQXHXOBGTWLBH-LPYMAVHISA-N 391.383 5.663 30 40 GKEB C=CCOc1c(Cl)cc(/C=N/NCc2ccc(Cl)cc2)cc1OCC 10119113 IZNZSRCQPXEKMK-YDZHTSKRSA-N 379.287 5.081 30 40 GKEB C=CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1-c1cccs1 10303466 QXLGNAUJULOSOP-UHFFFAOYSA-N 398.557 5.047 30 40 GKEB CSC1=N/C(=N\c2ccccc2)C2(CCCCC2)N1c1cccc(Cl)c1 12371846 FBHWOZPXHZMIJF-NMWGTECJSA-N 383.948 6.312 30 40 GKEB CCN1c2cc(C)c(/C=N/Nc3ccc([N+](=O)[O-])cc3)cc2[C@@H](C)CC1(C)C 223572333 VWSKMUAPYWVBST-YQCVNYCESA-N 380.492 5.461 30 40 GKEB Cc1cc(Br)ccc1/N=C\c1cccn1-c1ccc(N(C)C)cc1 408949537 BIOGAEJFZAPPLS-HMAPJEAMSA-N 382.305 5.365 30 40 GKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc(N4CCCCC4)o3)c2C#N)C1 409087158 AUIREHLKOALORY-JZCUADNKSA-N 395.572 6.105 30 40 GKEB C=CCc1cc(CNc2cccc(C)c2)cc(OC)c1OCc1ccc(C)cc1 409119209 RNIKLMQHQLZJFM-UHFFFAOYSA-N 387.523 6.232 30 40 GKEB Fc1cccc(COc2ccc(Br)cc2/C=N/c2ccccc2)c1 409213271 UBJFBBWXKOWWNE-YDZHTSKRSA-N 384.248 5.918 30 40 GKEB COc1ccc([C@H](CC#N)[C@@H](C#N)c2ccc(Cl)cc2Cl)cc1OC 1084370 HSFRTCRSRLGYCS-GOEBONIOSA-N 375.255 5.315 30 40 GKEB C=CCN1C(=O)/C(=C\c2ccc(-c3ccc(C)c(Cl)c3)o2)SC1=S 1250143 DELFEJVYNVIYTJ-MHWRWJLKSA-N 375.902 5.296 30 40 GKEB CCCc1ccc([C@@H]2Sc3ccccc3NC3=C2C(=O)c2ccccc23)cc1 2206850 DQYMYDUMXSAAJT-VWLOTQADSA-N 383.516 6.506 30 40 GKEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C/c1cccs1)C2=O 4082634 IWWSCPLMANPYFX-VQAWOUTFSA-N 382.569 5.634 30 40 GKEB biogenic O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)cc1 5252627 XVAHEUCWKVLOHU-LZCJLJQNSA-N 378.699 6.274 30 40 GKEB O=C1/C(=C/c2ccco2)Oc2cc(OCc3c(Cl)cccc3Cl)ccc21 5254611 YLHYNJLEPGIAJE-GRSHGNNSSA-N 387.218 5.782 30 40 GKEB CCOc1cc(/C=N/c2ccccc2C)cc(Cl)c1OCc1ccc(F)cc1 6959855 HDXXSIVTGVMINE-VULFUBBASA-N 397.877 6.516 30 40 GKEB CCc1ccc(OCc2nnc(SCCC#N)n2[C@H](C)c2ccccc2)cc1 7985239 RFMANQSECIZJLL-QGZVFWFLSA-N 392.528 5.035 30 40 GKEB C=CCOc1ccc(C(=O)N(Cc2cccs2)c2ccc(OC)cc2)cc1 11916263 SUMMTGWSGBMDTB-UHFFFAOYSA-N 379.481 5.169 30 40 GKEB CC/N=c1\scc(-c2ccc(Br)s2)n1N=C1CCCCC1 16035788 NZNKSHJSZOLDAP-ICFOKQHNSA-N 384.368 5.129 30 40 GKEB C=CCOc1ccc(C(=O)N(Cc2cccc(Cl)c2)c2ccccn2)cc1 27584567 VQWYWRYPBMUDIX-UHFFFAOYSA-N 378.859 5.147 30 40 GKEB Oc1ccc(Br)cc1/C=N/c1ccc(OCc2ccccc2)cc1 44835826 FLZRFOZUCXWEFW-LPYMAVHISA-N 382.257 5.484 30 40 GKEB O=C(COc1ccc(/C=N\c2ccc(Cl)cc2)cc1)Nc1cccc(Cl)c1 58872468 MELBQURPTFZUNN-CFRMEGHHSA-N 399.277 5.762 30 40 GKEB CCCCCCCCCCCNC(=O)c1sc2cc(C)ccc2c1Cl 97942934 RCIIFMMZYJBNSR-UHFFFAOYSA-N 379.997 7.124 30 40 GKEB CCCCCCCCCCCCCCCCc1ccsc1Br 100306868 GOHORSZVGYZIGO-UHFFFAOYSA-N 387.471 8.534 30 40 GKEB in-vitro COc1ccc2[nH]cc(CCN/C(C)=C(/Cc3ccc(Cl)cc3)C(C)=O)c2c1 100324994 ZXYHVXGNUBJTKI-QNGOZBTKSA-N 396.918 5.068 30 40 GKEB c1ccc(N/N=C2/CCCC[C@]23C[C@@H]2CCCCC2=NN3c2ccccc2)cc1 100498910 ZWMBAKDHUIYDKE-VGBAHMACSA-N 386.543 6.224 30 40 GKEB C=CCc1cc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)ccc1OC 218657967 WOHPAJTZOPBLTE-MOPGFXCFSA-N 392.543 5.151 30 40 GKEB C=C(C)COc1cccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1 219782573 QWRFMMUMLFREBN-UHFFFAOYSA-N 393.870 6.340 30 40 GKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=C/C(=O)c3ccc(C)cc3)c2C)cc1 408692741 UFHCSNJBVIEHQM-NTCAYCPXSA-N 387.479 5.475 30 40 GKEB CCOc1ccc(/C=C2\SC(=Nc3ccccc3F)NC2=O)c2ccccc12 408853574 PSQKNJNHSAGWEG-MOSHPQCFSA-N 392.455 5.269 30 40 GKEB Cc1c(Cl)cccc1/N=C/c1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C 408968365 WBITUNOMJDJRQJ-CVKSISIWSA-N 378.947 7.104 30 40 GKEB CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C#N)cc3)C2=O)cc1 408987412 XMOPWANQFNNMSE-CJLVFECKSA-N 392.458 5.428 30 40 GKEB Cc1ccc(Cl)cc1/N=C/c1ccccc1OCc1cccc2ccccc12 409211689 NURSSCDOFKKVKF-JVWAILMASA-N 385.894 7.131 30 40 GKEB Cc1ccc(/N=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)c(C)c1 409216296 JXWRDFHAVCIKEW-MXAYSNPKSA-N 384.306 6.940 30 40 GKEB O=C1CCCC2=C1[C@@H](c1ccccc1)CC(=O)N2c1cccc(C(F)(F)F)c1 1079921 BNQZKWVYYGOLQV-QGZVFWFLSA-N 385.385 5.233 30 40 GKEB C=C(C)CSc1nnc2c3c4c(sc3nc(-c3ccccc3)n12)CCCC4 2330439 UAFBWOOJWVKHDP-UHFFFAOYSA-N 392.553 5.553 30 40 GKEB COc1ccc(/C=N/c2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)cc1Cl 3113654 WXESKOVTSANYGK-DHRITJCHSA-N 390.870 6.524 30 40 GKEB CCCOc1ccc(C(=O)/C(=C\c2ccncc2)c2nc3ccccc3o2)cc1 4869601 WWANTYYPCDFSEN-CAPFRKAQSA-N 384.435 5.435 30 40 GKEB C/C(=N\n1c(-c2ccc(C)cc2)n[nH]c1=S)c1ccc(Cl)c(Cl)c1 6814984 OQABGNSIQYPAEH-SSDVNMTOSA-N 377.300 5.495 30 40 GKEB CCOc1cc(/C=N/c2ccc(OC)cc2)ccc1OCc1ccc(Cl)cc1 6961277 XYZDVAXRVHMVGQ-MFKUBSTISA-N 395.886 6.077 30 40 GKEB CCCCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 8449916 XSWWXBNCLQZEOX-UHFFFAOYSA-N 394.559 6.798 30 40 GKEB Clc1ccccc1/C=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1 13940938 MJISSXIFFMUCTA-ONUIUJJFSA-N 387.914 5.062 30 40 GKEB CCCCCOc1ccc(/C(C)=N\Nc2nc(-c3ccccc3)cs2)cc1 39388788 OVLFNCSSNGQYOG-ULJHMMPZSA-N 379.529 6.215 30 40 GKEB CCCCCCCCCCCCCC(=O)OCCP(=O)(OCC)OCC 104172337 DQLZGYRLBQZHRU-UHFFFAOYSA-N 392.517 6.497 30 40 GKEB COc1cc(/C=N\c2ccc(/N=N/c3ccccc3)cc2)c(O)c([N+](=O)[O-])c1 104211010 GSGJOOYVUBHNGR-HLCVAHGCSA-N 376.372 5.475 30 40 GKEB CCCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)c(C#N)c1 225751348 NGXSIGWJMZCGEC-UHFFFAOYSA-N 396.918 5.841 30 40 GKEB CCCCCCCc1nnc(SCC(=O)Nc2ccc(C(C)C)cc2)n1C 408560648 MXZCFKIAQRIBBV-UHFFFAOYSA-N 388.581 5.182 30 40 GKEB CCN(CC)c1ccc(/C=C2/SC(=Nc3ccc(C)cc3C)NC2=O)cc1 408723815 QUULNUGDKDLNCB-XSFVSMFZSA-N 379.529 5.041 30 40 GKEB O=C(c1ccccc1)c1ccc(/N=C/c2cc(Br)ccc2O)cc1 668268 DOHRCNSKBVADNE-LPYMAVHISA-N 380.241 5.136 30 40 GKEB COc1ccccc1/C=N/c1nc(C(F)(F)F)c(-c2ccc(Cl)cc2)s1 2843283 XSZOGUFHDXITCG-AUEPDCJTSA-N 396.821 6.242 30 40 GKEB O=C1/C(=C\c2ccc(Br)cc2)[C@@H](c2ccccc2)Oc2ccccc21 3138132 BOYUWRVHTCLLJC-PGPKDTDWSA-N 391.264 5.849 30 40 GKEB CCCCCCCCn1c(S)nnc1COc1ccc(Br)cc1 3259262 IWMADDLLTQHYKL-UHFFFAOYSA-N 398.370 5.269 30 40 GKEB CSc1ccc([C@@H]2C3=C(CCCC3=O)Nc3c2c(C)nn3C(C)(C)C)cc1 4979875 GZUNOPLXDJFHMZ-IBGZPJMESA-N 381.545 5.233 30 40 GKEB CCc1ccc(/N=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2)cc1 8084477 RNXFAKBKLCOZJX-MFKUBSTISA-N 392.886 5.671 30 40 GKEB CCO/C=N/c1c(C(=O)OCC)sc2nc(-c3ccccc3)c3c(c12)CCC3 13282615 VUVLQJMLOHRIBQ-YDZHTSKRSA-N 394.496 5.325 30 40 GKEB O=C(/C=C/c1ccccc1OC(=O)c1ccccc1F)c1cc2ccccc2o1 13987644 XVOVQMXJRXWHJZ-BUHFOSPRSA-N 386.378 5.687 30 40 GKEB COc1ccc(-c2ccc(/C=N\Nc3nc4ccccc4s3)o2)cc1Cl 16226905 GENLWHYHVMOQSB-NHDPSOOVSA-N 383.860 5.664 30 40 GKEB Cc1cc(/C=N/NC(=S)Nc2ccccc2)c(C)n1-c1ccccc1Cl 28217526 FMOBTWZOVSDWSP-LPYMAVHISA-N 382.920 5.068 30 40 GKEB CCCCC/C=C\C/C=C\CCCCCCCC(=O)ON1C(=O)CCC1=O 100362815 DXXZWPDPHMIAHP-HZJYTTRNSA-N 377.525 5.407 30 40 GKEB CCc1cc2c3c(c1)/C(=N/c1cccc(C(F)(F)F)c1)C(=O)N3C(C)(C)C=C2C 101763777 DVINVMUKSXCJLI-DIBXZPPDSA-N 398.428 5.931 30 40 GKEB CCCCCCCCCCCCCC1=NC[C@@H](c2ccc3ccccc3c2)O1 104256075 XRBJGOFGCKTRER-VWLOTQADSA-N 379.588 8.011 30 40 GKEB C=C1[C@@H]2CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C2)[C@@H]1OC(=O)/C(C)=C/C 104260677 VONUYFLABDZCHJ-VVWJZUSJSA-N 386.576 5.434 30 40 GKEB CCCCCCCCCCCCNC(=S)N/N=C\c1ccc(OC)cc1 104373405 ROGWSZCTHAYZAM-NKFKGCMQSA-N 377.598 5.414 30 40 GKEB Cc1c(Cl)cccc1-n1c(C)cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c1C 408591821 KPPHXQSTIPXHLL-FSJBWODESA-N 397.862 5.515 30 40 GKEB Cc1cc(/C=N/OCc2ccccc2C#N)c(C)n1-c1ccc(C(C)(C)C)cc1 408593080 OVJLFSMKWKBJCN-JVWAILMASA-N 385.511 5.814 30 40 GKEB O=[N+]([O-])c1cccc(CO/N=C\c2ccc(-c3cccc(Cl)c3Cl)o2)c1 408593584 QJQYVOQWQFBLEY-FBHDLOMBSA-N 391.210 5.712 30 40 GKEB O=C(Nc1ccccc1)c1c(/N=C\c2ccc(O)cc2)sc2c1CCCC2 408846873 LIFGVVUUANUTCK-UCQKPKSFSA-N 376.481 5.335 30 40 GKEB C1=C[C@@H]2c3ccccc3N[C@@H](c3ccc(/N=C/c4cc5ccccc5[nH]4)cc3)[C@@H]2C1 408940029 TVXUVKLXFVUWNG-UEKPDOFISA-N 389.502 6.745 30 40 GKEB O=C(O/N=C(/Cc1ccccc1)c1cccs1)c1ccccc1-c1ccccc1 409054897 WEZIQZSUMWSZEO-RWEWTDSWSA-N 397.499 6.219 30 40 GKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(/N=C/c3ccc(O)cc3)cc1)N2 1460918 XCVAGNAIAKKPKT-DIFDQGGFSA-N 380.491 6.278 30 40 GKEB CC(C)c1ccc(/C=N\n2c(-c3ccc(C(C)(C)C)cc3)n[nH]c2=S)cc1 2284331 IAUGONACZZNFGD-UCQKPKSFSA-N 378.545 5.911 30 40 GKEB COc1ccc(CSc2nnc(SCc3ccc(C#N)cc3)s2)cc1 3268475 AZOAJVMZXUEVDX-UHFFFAOYSA-N 385.539 5.003 30 40 GKEB Cc1ccc(-c2ccc(/C=N/c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1C(=O)O 4482541 WHRLUUAYFPJVOJ-UFFVCSGVSA-N 384.775 5.265 30 40 GKEB C[C@@H](C#N)OC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12 5888741 KXRWWCWVUODBGP-KRWDZBQOSA-N 378.431 5.638 30 40 GKEB Cc1ccc(NC(=O)O/N=C(\N)C(c2ccccc2)c2ccccc2)cc1Cl 6550668 ZZYDCZFYMVMBPH-UHFFFAOYSA-N 393.874 5.301 30 40 GKEB CCCCOc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 6651102 NUQSYEQGINLOEV-CVLFLDGLSA-N 394.584 6.700 30 40 GKEB Cc1ccc(-c2cs/c(=N\C(C)C)n2/N=C/c2ccc(Cl)cc2)cc1C 12625733 SXJUNSLOXMFNCY-VCASSKIBSA-N 383.948 5.678 30 40 GKEB CC(=O)N(c1nc(/C=C/C(=O)c2cccc(O)c2)cs1)c1cccc(C)c1C 12819372 OFDYKBSSDCYXDD-ZHACJKMWSA-N 392.480 5.046 30 40 GKEB CCC[C@@H]1[C@H](c2ccccc2)N[C@@H](c2ccccc2)C[C@@]1(O)C#Cc1ccccc1 13757252 LIEJILKXNSLXJY-VIJSPRBVSA-N 395.546 5.661 30 40 GKEB CC1CCC(/C(O)=N/c2c(NC3CCCCC3)c3ccccc3oc2=O)CC1 21155947 OWMKHVBIQRILTP-UHFFFAOYSA-N 382.504 5.952 30 40 GKEB C=CCOc1ccc(C(=O)N(Cc2cccs2)c2ccccc2Cl)cc1 27664010 XBDHSFPKBMYKOT-UHFFFAOYSA-N 383.900 5.813 30 40 GKEB Cc1ccc(C)c(OCc2ccc(-c3nc(C#N)c(N4CCC(C)CC4)o3)o2)c1 33027164 GJFJWNXYDKAGDS-UHFFFAOYSA-N 391.471 5.238 30 40 GKEB Cc1ccc(-c2nc3ccccc3[nH]2)cc1/N=C/c1cc([N+](=O)[O-])cc(C)c1O 35189663 LWSNIFGJAGOCTF-FSJBWODESA-N 386.411 5.211 30 40 GKEB O=[N+]([O-])c1ccc(N/N=C/c2cccc(OCc3cccc4ccccc34)c2)cc1 58823093 VMYMOLKOZBPUGS-PCLIKHOPSA-N 397.434 5.773 30 40 GKEB CCCCCCCCCCOC[C@@H](O)Cn1c2ccccc2c2ccccc21 97954991 BUZIILBMPBPZSF-NRFANRHFSA-N 381.560 6.313 30 40 GKEB CCCCCCCCOc1ccc(-c2ncc(CCCCCCCC)cn2)cc1 97997851 YSLLSTYBZAIXMY-UHFFFAOYSA-N 396.619 7.786 30 40 GKEB Cc1cccc(-c2nnc(SCc3ccc(C#N)cc3)n2Cc2ccco2)c1 2443078 UWNKFKHRIYJUOK-UHFFFAOYSA-N 386.480 5.059 30 40 GKEB S=c1[nH]nc(C2CCCCC2)n1/N=C\c1cccc(Oc2ccccc2)c1 2700079 WFIRVKGWCKVHRG-JCMHNJIXSA-N 378.501 5.663 30 40 GKEB C=CCOc1cc(N(CC)CC)ccc1/C=N/c1sc2c(c1C#N)CCCC2 4457699 KOKXKDZZNOWGSY-PCLIKHOPSA-N 393.556 5.660 30 40 GKEB CCCCCC(=O)O/N=C1\CCCc2c1ccc(OC(=O)CCCCC)c2C 4481621 OIVXAMAMSNCCND-HIXSDJFHSA-N 387.520 5.645 30 40 GKEB CCOc1cc(/C=N/c2ccccc2C)ccc1OCC(=O)Nc1ccccc1 4705186 AVERKEKXDOCRDR-PCLIKHOPSA-N 388.467 5.162 30 40 GKEB C=CCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)SC1=S 15011405 YAUYCPRAZZEAFT-OQLLNIDSSA-N 396.320 5.641 30 40 GKEB C[C@H](NC(=O)/C=C/c1cn(CCC#N)c2ccccc12)c1cccc2ccccc12 15741471 XBSBGPKCLRCGSM-IQGVVSCOSA-N 393.490 5.599 30 40 GKEB CC(C)c1ccc(/C=C2\C(=O)c3ccccc3O[C@@H]2c2ccccc2)cc1[N+](=O)[O-] 33581364 JDDNHHNVKHGWTR-GNHCGYKESA-N 399.446 6.118 30 40 GKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3cccc(Cl)c3)c2C)cc1 100212085 MSSPNRYWDANYEW-ZVHZXABRSA-N 380.875 5.675 30 40 GKEB C#CCOc1c(Cl)cc(CNc2ccc(Br)cc2C)cc1Cl 408602797 ATKDGESGOIOZRU-UHFFFAOYSA-N 399.115 5.688 30 40 GKEB Cc1cc(/C=N/c2cc(Cl)cc(Cl)c2)c(C)n1-c1ccc(N(C)C)cc1 408739425 BUILVPDFXDFUII-ZMOGYAJESA-N 386.326 6.218 30 40 GKEB CCc1cccc(C)c1-n1c(C)cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)c1C 408960203 JNBMYQLNPZPGGS-OEAKJJBVSA-N 376.460 5.319 30 40 GKEB Cc1cccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(C#N)cc4)o3)S2)c1 409014777 JJESAIAGDPKUBY-NDENLUEZSA-N 385.448 5.018 30 40 GKEB C/C(=N/Nc1nc(-c2ccccc2)cs1)c1ccc(C2CCCCC2)cc1 409052298 RGLGEGHHTLNNEO-UQQQWYQISA-N 375.541 6.694 30 40 GKEB Fc1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)cc1Cl 409105276 LZQMUMVUCMVVRO-FSJBWODESA-N 376.283 7.034 30 40 GKEB CCN1C2=C(C(=O)CC(C)(C)C2)C(c2cccc(O)c2)C2=C1CC(C)(C)CC2=O 1461731 YKQPJVTWFALNFD-UHFFFAOYSA-N 393.527 5.098 30 40 GKEB CCc1ccc(/N=C/c2cc(Cl)ccc2OCc2cccc3ccccc23)cc1 8084554 ZSLVFKMAEAJBLG-OGLMXYFKSA-N 399.921 7.385 30 40 GKEB N#Cc1nc(-c2ccc(COc3ccc(Cl)cc3)o2)oc1NCc1ccco1 8844517 NRYBATMWDDGGEB-UHFFFAOYSA-N 395.802 5.244 30 40 GKEB Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/N=C/c1c(O)ccc2ccccc12 38188808 PQRLFOBIBUSSCP-LQKURTRISA-N 397.518 6.469 30 40 GKEB CCCCCCCCN[C@@H](C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 53119478 TUZKPWGHNMHLGC-OAQYLSRUSA-N 392.370 6.868 30 40 GKEB C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCC[C@H]2Cc2ccco2)c1 57450925 YVEMOVATEJFKPQ-UGKGYDQZSA-N 380.532 5.649 30 40 GKEB CCCCCCCCCCOC(=O)c1ccccc1NC(=O)c1ccccc1 100036698 LBLGJCXPJYXOMI-UHFFFAOYSA-N 381.516 6.236 30 40 GKEB CCCCCCCCCCOc1ccc(NC(=O)N2CCCC(C)(C)C2)cc1 100055806 CWWWQANWQRFMTA-UHFFFAOYSA-N 388.596 6.860 30 40 GKEB C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(O)C#Cc1ccccc1 253617512 RRBUVKVCPPYRAS-YOPGQBOBSA-N 388.551 5.301 30 40 GKEB Cc1ccc(Sc2ccc(/C=N/OCc3cccc([N+](=O)[O-])c3)cc2)cc1 408590173 GMOAAOBIEDXBCR-HYARGMPZSA-N 378.453 5.605 30 40 GKEB CCOc1cc(/C=N/OCc2ccccc2C#N)cc(Cl)c1O[C@@H](C)CC 408594606 IUCPPHYHBMIEDN-MMTYYTLLSA-N 386.879 5.338 30 40 GKEB C#CCOc1c(Cl)cc(CNc2ccc(Br)cc2C)cc1OC 408606256 HXYRWNGBDKGBQU-UHFFFAOYSA-N 394.696 5.044 30 40 GKEB CCc1ccc(-n2c(C)cc(/C=N/c3ccc(N4CCOCC4)cc3)c2C)cc1 408761140 CELUYDXXKMPDHD-NLRVBDNBSA-N 387.527 5.244 30 40 GKEB Cc1cccc(/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)c1C 409210424 INCJOBMKDVJUOW-DHRITJCHSA-N 384.306 6.940 30 40 GKEB Cc1ccc(C)c2nc(SCC(=O)Nc3ccc(Cl)cc3)c(C#N)cc12 4130337 VWBQEAZEVQVFBK-UHFFFAOYSA-N 381.888 5.108 30 40 GKEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 4671899 COHXYAIAOKDVTK-KEBDBYFISA-N 376.199 5.608 30 40 GKEB CCCC(=N/Nc1nc2ccccc2s1)/N=N/c1ccc(C(=O)OC)cc1 4832872 DFBOZRVUGKPBDH-HXNIXJDOSA-N 381.461 5.392 30 40 GKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1ccc(C(F)(F)F)cc1 6684041 MGBUWVIDTPIUCQ-GZIVZEMBSA-N 377.244 5.078 30 40 GKEB Cc1nc(N/N=C/c2ccccc2[N+](=O)[O-])c2cc(-c3ccccc3)sc2n1 6685314 ZZSZNNVNEIYUSV-CIAFOILYSA-N 389.440 5.021 30 40 GKEB Cc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1ccc(C(C)C)cc1 18222379 NFFVMRYVYGTVBG-DVECYGJZSA-N 398.510 5.126 30 40 GKEB COc1cc(OC)cc(C(=O)/C(=C/c2cccs2)c2nc3ccccc3o2)c1 32620469 FJVSTUJBCWZMDE-AQTBWJFISA-N 391.448 5.330 30 40 GKEB CCOc1ccc(/C=N/c2ccc(/C=C3\C(=O)[C@H](C(C)C)CC[C@@H]3C)cc2)cc1 32689306 AOVYIILFFICBDN-VUSAAMBLSA-N 389.539 6.491 30 40 GKEB O=C1/C(=C/c2cccs2)S/C(=N\Cc2ccccc2)N1Cc1ccccc1 100437237 FRPQLZIJDBAUFB-DJOYVXLESA-N 390.533 5.421 30 40 GKEB C=C(C(F)(F)F)[Sn](CCCC)(CCCC)CCCC 196020105 BCJONLQJBPLMNY-UHFFFAOYSA-N 385.102 6.493 30 40 GKEB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N/Nc3ccc([N+](=O)[O-])cc3)cc21 223500891 LKBJTQYHDSZAFP-ZVHZXABRSA-N 392.503 5.760 30 40 GKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccccc3S)c2C)cc1 408782529 JTSMTEWBEIAHCB-OEAKJJBVSA-N 378.497 5.310 30 40 GKEB CC[C@@H](C)N1C(=O)/C(=C\c2cccc(OC)c2O)S/C1=N\c1ccc(C)cc1 408915943 SEUADHGJCKIBFS-BMTLBDRPSA-N 396.512 5.112 30 40 GKEB COc1ccc(Oc2ccc(N/C(C)=C/C(=O)c3ccc(Cl)cc3)cc2)cc1 409121301 XWQCCZJBSBVFQW-FOCLMDBBSA-N 393.870 6.340 30 40 GKEB O=S(=O)(Oc1ccc2ccccc2c1/C=N/c1ccccc1)c1ccccc1 409213881 VNCIVDYWVACTPQ-JJIBRWJFSA-N 387.460 5.358 30 40 GKEB CCCCCCCCCOC(=O)N[C@H]1c2ccccc2Oc2c(C)cccc21 1593455 NDLYVNZQECWOJK-QFIPXVFZSA-N 381.516 6.667 30 40 GKEB C[C@@H]1Oc2ccccc2C=C1/C=C(\C(=O)c1ccccc1)c1nc2ccccc2o1 13617346 PFVKCNKZZNRPFR-QFGIDJEJSA-N 393.442 5.959 30 40 GKEB CCc1ccc(/N=C/c2ccc(OC(=O)c3ccc(OC)cc3)c(OC)c2)cc1 18037119 NPPYCQILHMEJSD-PCLIKHOPSA-N 389.451 5.236 30 40 GKEB Clc1ccc2c(Cl)cc(/C=N\c3ccc(Br)cc3)nc2c1 100283012 KUZTYYVAKGQKKS-UKWGHVSLSA-N 380.072 6.055 30 40 GKEB C=CC/C(C#C[Si](C)(C)C)=C(\C#Cc1ccc([N+](=O)[O-])cc1)[Si](C)(C)C 196177643 VYYCDAWIJHUWIM-VZCXRCSSSA-N 381.624 5.577 30 40 GKEB C=CCn1c(-c2ccc(OC)cc2)csc1=Nc1cccc(C(F)(F)F)c1 254678712 QYWJMCKQDJPJTB-UHFFFAOYSA-N 390.430 5.662 30 40 GKEB COc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc(OC)c1O 409083093 UQCZCEBJEVLXPA-HZZGJGATSA-N 398.528 5.244 30 40 GKEB CCCCOc1ccc(C(=O)Nc2sc3c(c2C#N)C[C@@H](CCC)OC3)cc1 2213684 WJCDKOCMGFQQJZ-QGZVFWFLSA-N 398.528 5.292 30 40 GKEB CCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1 4663272 SFQFBJZKEKZFRQ-QHCPKHFHSA-N 394.902 5.647 30 40 GKEB Brc1ccc(/C=N/c2ccc3c(c2)ncn3C2CCCCC2)cc1 4889273 OCUAXTTWFPYSRN-LPYMAVHISA-N 382.305 6.055 30 40 GKEB CCOc1ccc(C(=O)/C(=C/c2ccc(OC)cc2)c2nc3ccccc3o2)cc1 5872857 XVTYETYHSKZUOR-PGMHBOJBSA-N 399.446 5.659 30 40 GKEB CC(/C=C1\S/C(=N/c2cccc(Br)c2)N=C1O)=C\c1ccccc1 6261731 VSXFIECANWKPBU-NEOBQEPSSA-N 399.313 6.127 30 40 GKEB CCOc1cc(/C=N/c2cc(C)ccc2C)cc(Br)c1OCC 6959570 NLVXQLNYFFWISB-CIAFOILYSA-N 376.294 5.614 30 40 GKEB N#C[C@H](C(=O)c1cc2c(ccc3ccccc32)[nH]1)c1ccc(C(F)(F)F)cn1 41552883 YOMFHRZZZDVKPX-INIZCTEOSA-N 379.341 5.225 30 40 GKEB Brc1ccc(-n2cccc2/C=N/c2cccc3ccccc23)cc1 59247749 FJUMWWCXLBUACF-HZHRSRAPSA-N 375.269 6.144 30 40 GKEB CCOc1cc(C#N)cc(Br)c1OCc1ccc(F)cc1Cl 216826852 JCHFXVBRYDCELV-UHFFFAOYSA-N 384.632 5.091 30 40 GKEB Cc1ccc([C@@H](NC(=S)Nc2ccc(CC#N)cc2)c2ccccc2)c(C)c1 225767849 KKGIQMFXMKTKIY-QHCPKHFHSA-N 385.536 5.446 30 40 GKEB CCSc1ccc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 575242658 COQPNNIHTMGZBW-UHFFFAOYSA-N 384.263 5.450 30 40 GKEB N#CCSc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1C(F)(F)F 2618609 ZQYBNDFSJPBCQY-UHFFFAOYSA-N 394.809 5.222 30 40 GKEB COc1ccc([C@@H]2Nc3cc(Cl)ccc3NC3=C2C(=O)CC(C)(C)C3)cc1 5203222 YBGMYVSWZOKLOY-NRFANRHFSA-N 382.891 5.571 30 40 GKEB CC(C)c1ccc(/C=N/Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 5384685 UUAIKYJSVLGCHV-YZSQISJMSA-N 397.547 7.047 30 40 GKEB O=S(=O)(/N=C/C(Cl)(Cl)c1ccccc1)c1ccc(Cl)cc1Cl 5601020 QOISDAHGAIHJPG-DJKKODMXSA-N 397.110 5.084 30 40 GKEB CCn1c(/N=C/c2cc(Br)c3ccccc3c2O)nc2ccccc21 5728173 XPDMZAYTFPPNOS-WSDLNYQXSA-N 394.272 5.428 30 40 GKEB C=CCN(C(=O)c1sccc1-c1ccccc1)c1nc2c(s1)CCCC2 6589733 QQEZGYVSSYFPJO-UHFFFAOYSA-N 380.538 5.583 30 40 GKEB CSc1nc(-c2ccc(C(C)(C)C)cc2)c(C#N)c(N2CCCC[C@@H]2C)n1 19820420 NRIKKZFVNAQRPJ-HNNXBMFYSA-N 380.561 5.413 30 40 GKEB C=CCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(C)cc4)=NN32)cc1 102684378 RMEPKQWWVDQZPC-AHWVRZQESA-N 396.490 5.802 30 40 GKEB Cc1ccc(N=C2NC(=O)/C(=C/c3cccc(Oc4ccccc4)c3)S2)cc1 408753699 KJXVOVAZNNFUKD-QNGOZBTKSA-N 386.476 5.679 30 40 GKEB C=CCOc1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1Cl 409004314 AFIWGSMOWOFLNM-RGEXLXHISA-N 399.899 5.184 30 40 GKEB C/C(=N\Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc(F)cc1 409052625 LEXFWCLITHHQCB-LSHDLFTRSA-N 380.275 6.092 30 40 GKEB CC(C)Oc1ccccc1/C=N/c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 409089090 HEYCQFAJWNQLRD-NFXIUMSZSA-N 380.557 6.309 30 40 GKEB S=C(NN=C/C=C(\Cl)c1ccc(Cl)cc1)Nc1ccccc1Cl 575628265 YFADJEZZJSEKLP-CIRFYHHZSA-N 384.719 5.546 30 40 GKEB N#Cc1ccc(-c2ccc(Cl)c(Cl)c2)nc1Sc1cccc(Cl)c1 3128314 FNDXGACKBKKAGB-UHFFFAOYSA-N 391.710 6.732 30 40 GKEB CCn1c2ccccc2c2cc(/C=N/c3ccc(Oc4ccccc4)cc3)ccc21 3161946 HXNMIEFDZFURJO-TURZUDJPSA-N 390.486 7.357 30 40 GKEB COc1ccc(N/N=C(\C#N)c2nc(C)c(/N=N/c3ccccc3)s2)cc1 4292801 SYWMFGHGOKDIML-FUISUDAYSA-N 376.445 5.215 30 40 GKEB O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1ccco1)Nc1ccccc1N2 4973552 JIXXSAROIHSYJS-IQMFZBJNSA-N 390.870 5.913 30 40 GKEB CCc1cccc(C)c1/N=C1\NC(=S)N(c2ccc(Cl)cc2)C12CCCC2 5678942 NKMRYTQQSATVMR-UHFFFAOYSA-N 397.975 5.948 30 40 GKEB CC1(C)C/C(=N\Nc2ccccc2)c2c(-c3ccc([N+](=O)[O-])cc3)coc2C1 5705908 KCUHKAYOHLPNAW-LYBHJNIJSA-N 375.428 5.643 30 40 GKEB CC/N=C1/S/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N1CC 6634096 OUGIOUYMMITYEF-UTYQVYOFSA-N 395.311 5.566 30 40 GKEB COc1cc(/C=N/c2ccccc2C)cc(Cl)c1OCc1cccc(F)c1 8570828 IIXRHRSHUNZWLA-DHRITJCHSA-N 383.850 6.126 30 40 GKEB O[C@@H]1c2cc(Cl)ccc2-c2c(/N=C/c3ccc4c(c3)OCO4)cc(Cl)cc21 22243060 OTSUYTRWZUVSMX-NDMWVJKWSA-N 398.245 5.535 30 40 GKEB N#Cc1c(/N=C\c2ccccc2Cl)oc(-c2ccccc2)c1-c1ccccc1 100390263 AQCGLONIKRDOAD-YUMHPJSZSA-N 382.850 6.889 30 40 GKEB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1C/C(=C\c1cccs1)C2=O 118916232 ADNXMRIHODUBNW-SDYOYAKYSA-N 384.585 5.714 30 40 GKEB Cc1ccc(C(=O)O)cc1/N=C\c1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C 408968554 XDGHSKRBIZFZPL-YSMPRRRNSA-N 388.511 6.149 30 40 GKEB C#CCn1c(C)c(/C=N\Nc2c(F)c(F)c(F)c(F)c2F)c2cc(C)ccc21 409048449 WNPCSBCKSCFDGK-WMDMUMDLSA-N 391.343 5.033 30 40 GKEB CC1(C)CC(=O)C2=C(C1)[C@H](c1cccc([N+](=O)[O-])c1)Nc1ccc3ccccc3c12 677599 SHTYSHOXAUNRQQ-DEOSSOPVSA-N 398.462 6.058 30 40 GKEB Oc1ccc(Cl)cc1/C=N/c1ccc2oc(-c3ccc4ccccc4c3)nc2c1 3169724 PIVOGYFHHVTSEC-VULFUBBASA-N 398.849 6.758 30 40 GKEB Cc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2cccc(C)c2)cc1 4366427 MHQKQHXCJPWOKY-UHFFFAOYSA-N 396.519 5.715 30 40 GKEB Sc1nnc(-c2ccccc2)n1/N=C\c1c2ccccc2cc2ccccc12 4679760 LENQLZUSOKRLBK-IWIPYMOSSA-N 380.476 5.422 30 40 GKEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(C)cc2)C[C@@H]1c1c(F)cccc1Cl 4920004 BDBNDHWIWLHYRZ-IIBYNOLFSA-N 386.850 5.107 30 40 GKEB Cc1c(NC(=O)c2ccc(C#N)cc2F)cccc1-c1nc2ccccc2s1 5792408 ZLVAREOATCZCFM-UHFFFAOYSA-N 387.439 5.535 30 40 GKEB CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 5966395 YUMDPTZMKXHVJL-STZFKDTASA-N 393.483 5.441 30 40 GKEB Cc1cc(I)ccc1/N=C/c1c(C)n(C)c2ccccc12 59247945 CZGCBPRLOLQBSG-RGVLZGJSSA-N 388.252 5.150 30 40 GKEB O/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 103836609 OMZSQVCIIMLERE-CNHKJKLMSA-N 375.049 5.143 30 40 GKEB Cc1ccc(C2(C(=O)Nc3ccc(OCC(C)C)cc3C#N)CCCCC2)cc1 225760454 LCTUFSQRAFPNRJ-UHFFFAOYSA-N 390.527 5.742 30 40 GKEB Cc1ccc(Sc2c(N)cc(C#N)n2Cc2ccc(Cl)cc2Cl)cc1 225888521 YQORMIHQEYPUOY-UHFFFAOYSA-N 388.323 5.757 30 40 GKEB COc1ccc(/C=C2\C[C@@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cc1 253617048 LJUDTXPEYPVAHO-KPUYCJPCSA-N 392.583 6.690 30 40 GKEB CCCCCCCCOc1ccc(C(=O)Nc2ccc(OC)cc2OC)cc1 408586487 NEENCKATGVDZAJ-UHFFFAOYSA-N 385.504 5.695 30 40 GKEB COc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCc1cccc(C(=O)O)c1 408854759 AUMAKUWHGWRNFY-AFUMVMLFSA-N 389.451 5.340 30 40 GKEB C=CCOc1c(Br)cc(CNc2ccccc2C)cc1OCC 409111711 DPHQAVSDWDYPLS-UHFFFAOYSA-N 376.294 5.333 30 40 GKEB CCOc1ccc(/N=C2\CCCc3c2[nH]c2ccc(Br)cc32)cc1 978709 OJJFMNSMEMBITI-ZBJSNUHESA-N 383.289 5.786 30 40 GKEB C=C(C(=O)c1ccccc1)C(C(=C)C(=O)c1ccccc1)c1ccc(OC)cc1 2276076 VLCGLMKWSBSFEC-UHFFFAOYSA-N 382.459 5.657 30 40 GKEB CCCC[C@@H]1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2ccccc2)C1=O 2297206 ZUHJQWILXLUPQH-UHJWXMBMSA-N 399.947 5.364 30 40 GKEB C=CCc1cc(Cl)ccc1Oc1nc(-c2ccccc2O)nc2ccccc12 2339991 FWMFBNHBOVEOSJ-UHFFFAOYSA-N 388.854 6.177 30 40 GKEB O=[N+]([O-])c1cccc(/C=N/c2nc(-c3ccc(Br)cc3)cs2)c1 4177005 ZBEFVXKNCMFWEU-GIJQJNRQSA-N 388.246 5.231 30 40 GKEB Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3ccc(Cl)cc3Cl)S2)c1 5186562 KOSGDGNVXYLYHP-PXNMLYILSA-N 377.296 5.502 30 40 GKEB C=CCSc1nnc2c3c(ncn12)[C@@H]1C2=C(CCC2)C(CCCC)=N[C@H]1S3 6309846 RTFJTRXIXUBGLF-KXBFYZLASA-N 397.573 5.043 30 40 GKEB O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cc(F)c(Cl)cc1Cl 12539221 MGPGWRPPCNTBNM-UHFFFAOYSA-N 385.225 5.180 30 40 GKEB COc1ccc(-c2[nH]nc(C(F)(F)C(F)(F)C(F)(F)F)c2Cl)cc1 16159128 HYINKJGWZOYFDE-UHFFFAOYSA-N 376.659 5.028 30 40 GKEB CCCCCCCCCCCCCCCCCC[N+](C)(C)CCOCCCC 100923843 LFEQGBJYTARLTH-UHFFFAOYSA-N 398.740 8.141 30 40 GKEB CCCCc1c(C)c(C#N)c2[nH]c3ccccc3n2/c1=N\c1ccc(OCC)cc1 102594478 CECPRQBXUUIZSU-PNHLSOANSA-N 398.510 5.574 30 40 GKEB C=CCN1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C1=O 409074914 ODANBKQOWXNUBZ-GXDHUFHOSA-N 377.874 5.307 30 40 GKEB CC[C@H](C)c1ccc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)cc1 409121221 XIPPUGKDGRRDGV-VSMYLPJWSA-N 377.238 5.327 30 40 GKEB Cc1ccsc1/C=C1/C[C@H](c2ccccc2)C/C(=C\c2sccc2C)C1=O 585139668 PYDMONRVAWKWEV-OUIRUTAPSA-N 390.573 7.040 30 40 GKEB O=[N+]([O-])c1cc(/C=N/c2ccc(-c3nc4ccccc4s3)cc2)ccc1Cl 3090323 OOHHORXYOMCRAC-WSDLNYQXSA-N 393.855 6.276 30 40 GKEB C[C@H]1CCc2c(sc(NC(=O)c3sc4ccccc4c3Cl)c2C#N)C1 4142036 CACJRWSEIGZIOI-JTQLQIEISA-N 386.929 5.865 30 40 GKEB CCOc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(C)c(Cl)c1 4740375 IEPGXNFALAFLIU-SHLVRQGHSA-N 396.918 5.800 30 40 GKEB Cc1cccc(C)c1NC(=O)CSc1nc2c(C)c(C)ccc2cc1C#N 4849082 KOUZLDKIMCQUMX-UHFFFAOYSA-N 375.497 5.071 30 40 GKEB COc1ccc(/C=N/c2cc(C(F)(F)F)ccc2N2CCCCC2)cc1O 4869259 OMJCWNIAHUYRLE-ZMOGYAJESA-N 378.394 5.161 30 40 GKEB O=[N+]([O-])c1ccc(/N=C/c2c(OCc3ccccc3)ccc3ccccc23)cc1 5773731 ZYRNEWMIHJXGOZ-PCLIKHOPSA-N 382.419 6.078 30 40 GKEB O/N=C1C(=C/c2ccc(Cl)cc2)/CCC[C@@H]/1[C@H](NO)c1ccc(Cl)cc1 6511961 UBTZIGTZUQCBSM-IDUCTXRKSA-N 391.298 5.727 30 40 GKEB Clc1ccc(COc2ccc(/C=N/NCc3ccccc3Cl)cc2)cc1 8811317 DDQBUFIMLNJKQQ-ZMOGYAJESA-N 385.294 5.696 30 40 GKEB CC1(C)Cc2c(C#N)c(NC3CCCCC3)nc(-c3ccccc3)c2CS1 13739181 VDVOBEHJWASAGC-UHFFFAOYSA-N 377.557 5.933 30 40 GKEB CC/N=c1/scc(-c2ccccc2F)n1/N=C/c1ccccc1C(F)(F)F 103371364 KVHMDJPYOREPNY-HCYZVQQRSA-N 393.409 5.177 30 40 GKEB O=C1c2ccccc2[C@](/N=C\c2ccccc2)(c2ccccc2)N1c1ccccc1 104099156 NPIICIDOTBEWEA-AOOQNHMPSA-N 388.470 5.667 30 40 GKEB CCOC(=O)c1c(/N=C/c2cc(Cl)ccc2OCC)sc2c1CCCC2 408812186 CLIBQGLDJMFZMA-WSDLNYQXSA-N 391.920 5.606 30 40 GKEB COc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@@H]32)cc1 408950256 MFAUKXANLQPCOH-IKCQXBCASA-N 394.518 6.581 30 40 GKEB COCCSc1nc(-c2cccs2)cc(-c2ccc(Cl)cc2)c1C#N 1794738 JHTJAFILCHWSER-UHFFFAOYSA-N 386.929 5.741 30 40 GKEB C=CCSc1nc2c(c(=O)n1CC(C)C)C1(CCCC1)Cc1ccccc1-2 2249006 QRBGWTVXBADERK-UHFFFAOYSA-N 380.557 5.212 30 40 GKEB C=C(C)CSc1nc(-c2ccccc2)nc2sc3c(c12)CC(C)(C)OC3 2357481 FAINBRVRQUITGR-UHFFFAOYSA-N 382.554 5.878 30 40 GKEB C[C@H]1CCc2sc(NC(=O)c3ccc(Oc4ccccc4)cc3)c(C#N)c2C1 4070081 FRSSLBAWTIXZQW-HNNXBMFYSA-N 388.492 5.789 30 40 GKEB Cc1ccc([C@H]2C3=C(CCCC3=O)Nc3c2c(C)nn3-c2ccc(F)cc2)s1 4979966 BZJKYTMNHPHWAK-OAQYLSRUSA-N 393.487 5.254 30 40 GKEB C=CCOc1ccccc1/C=C1\S/C(=N\c2cccc3ccccc23)NC1=O 5376524 UWYQPWUEABBQJE-QNGOZBTKSA-N 386.476 5.296 30 40 GKEB C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc4ccccc4c3)c2C)C1=O 6371376 VZVKPLZHBGFUAQ-KGENOOAVSA-N 388.492 5.470 30 40 GKEB COc1ccc2oc(C(=O)Nc3sc4c(c3C#N)CCCCC4)c(C)c2c1 6552698 HHSAYLDLNABZOV-UHFFFAOYSA-N 380.469 5.204 30 40 GKEB CCc1ccc(/N=C/c2c(OCc3ccccc3F)ccc3ccccc23)cc1 8084182 MCDIOQWXSGYQJT-OGLMXYFKSA-N 383.466 6.871 30 40 GKEB O=C1/C(=C/c2ccccc2O)S/C(=N\c2ccccc2)N1Cc1ccccc1 8656474 XYGHTVRORXBATD-YACCPEJUSA-N 386.476 5.196 30 40 GKEB CCCOc1ccc(/C=N/NCc2c(Cl)cccc2Cl)cc1OCC 9197300 FIKRLQBNIWQNON-WSDLNYQXSA-N 381.303 5.305 30 40 GKEB Clc1ccc(CN/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 10118789 CVDCXGONQSGYPW-FOKLQQMPSA-N 379.674 6.031 30 40 GKEB Cc1ccc(NC(=O)c2ccc(N/N=C3/CCCC[C@@H]3C)c([N+](=O)[O-])c2)cc1 28615457 KUYJRVDKGSMKAV-ACNSNUFOSA-N 380.448 5.134 30 40 GKEB CCCCCCOc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1 59193496 AHXSYIJOPWVSAS-UHFFFAOYSA-N 393.527 5.347 30 40 GKEB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@H]1C/C(=C\c1cccs1)C2=O 118916231 ADNXMRIHODUBNW-LNTXCYQFSA-N 384.585 5.714 30 40 GKEB CC[C@H](C)N1C(=O)/C(=C\c2ccc(C)c(OC)c2)S/C1=N\c1ccc(C)cc1 408912060 KRACJNVIKOZWOG-ZEGZONJGSA-N 394.540 5.715 30 40 GKEB Cc1oc(/N=C/c2ccc(OCc3cccc4ccccc34)cc2)c(C#N)c1C 408919083 SMWJBCUYUKBHBS-JFLMPSFJSA-N 380.447 6.251 30 40 GKEB C#CCOc1c(Br)cc(CNc2cccc(C)c2C)cc1OCC 409115293 IMAKZOGDQZSZRU-UHFFFAOYSA-N 388.305 5.089 30 40 GKEB CCc1ccc(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)cc1 409278333 DLPBAHWYIDAXJV-UHFFFAOYSA-N 393.446 5.254 30 40 GKEB O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1ccccc1C(F)(F)F 409298899 QBQVGFIBRNDZMB-UHFFFAOYSA-N 399.416 5.345 30 40 GKEB Cc1ccc2oc(-c3cc(/N=C/c4cc(Cl)ccc4O)ccc3Cl)nc2c1 3049944 CHYBEZIAYSZFSP-BHGWPJFGSA-N 397.261 6.566 30 40 GKEB CCCCCCCCc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1 3208360 GQNHEMVFDPMWHS-UHFFFAOYSA-N 379.544 5.729 30 40 GKEB N#C[C@@H]1S[C@H](C#N)[C@H](c2ccc(Cl)cc2)O[C@H]1c1ccc(Cl)cc1 5495894 IHIYKSDCXKJPOG-MHORFTMASA-N 375.280 5.324 30 40 GKEB N#Cc1c(C(F)(F)F)cc(-c2ccc(F)cc2)nc1SCc1ccccc1 6392897 PJCMLFVASKMHNK-UHFFFAOYSA-N 388.389 6.070 30 40 GKEB O=C(/C=C/N1C=CC(=Cc2ccc([N+](=O)[O-])cc2)C=C1)c1ccc(Cl)cc1 6926314 WJFFNOUCRCVZPL-SDNWHVSQSA-N 378.815 5.371 30 40 GKEB Cc1ccccc1/N=C/c1cc(Cl)ccc1OCC(=O)Nc1ccccc1 8570840 MRUAWAGVGUNCKB-ZVHZXABRSA-N 378.859 5.417 30 40 GKEB C=CCn1c(Cc2cccs2)nnc1SCc1cccc(C(F)(F)F)c1 13330408 JGZKFSLJIJQVIL-UHFFFAOYSA-N 395.475 5.428 30 40 GKEB CC1(C)[C@@H]2CC[C@@]1(C)C(=O)/C2=C\C(\N=N\c1ccccc1)=N/Nc1ccccc1 18323138 IRSWEVIKRZNTFN-GJIGZIJLSA-N 386.499 6.148 30 40 GKEB CCCCCCCCCCCCCCCCCCOC(=O)c1cccnc1 100309327 LCMBGJRROPDVAA-UHFFFAOYSA-N 375.597 7.500 30 40 GKEB CSc1ccc(/C=N/c2cccc(/N=C/c3ccc(SC)cc3)c2)cc1 102934587 YLDWSFUKBDRHQP-DFEHQXHXSA-N 376.550 6.632 30 40 GKEB CCCCCCCCNCc1ccc(OCc2cccs2)c(OCC)c1 105343370 LJVPACACDACPSD-UHFFFAOYSA-N 375.578 6.176 30 40 GKEB Cc1nn(C)cc1/C=C1/C[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)C1=O 118916065 KVDDTNQRMJYZPQ-PDKCTGEWSA-N 380.576 5.724 30 40 GKEB C=CCOC(=O)c1ccc(OCc2cccc3ccccc23)c(Br)c1 226324980 NTWPSGDBOVEZLB-UHFFFAOYSA-N 397.268 5.524 30 40 GKEB C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OCc3ccccc3)CC[C@H]12 253617308 QEMRLLBWDDHJTM-BEQZQCNLSA-N 376.540 5.880 30 40 GKEB COc1cc(F)c(Oc2ccccc2)cc1/C=N/OCc1ccccc1C#N 408595233 LMKCQCGEFFTXRG-AFUMVMLFSA-N 376.387 5.049 30 40 GKEB Clc1ccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1 408978223 LKSHKPITLXIHRS-ZVHZXABRSA-N 380.944 7.262 30 40 GKEB N#Cc1c(/N=C/c2ccc(Sc3ccc(Cl)cc3)o2)sc2c1CCCC2 409092131 VMQBMMLRGCJASC-FSJBWODESA-N 398.940 6.647 30 40 GKEB Cc1c(Cl)cccc1NC(=O)CSc1nc2c(C)ccc(C)c2cc1C#N 872701 OFJCEVSSCGPMQR-UHFFFAOYSA-N 395.915 5.416 30 40 GKEB CCCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3 2183046 MNIKIONAHJFILX-UHFFFAOYSA-N 398.597 5.998 30 40 GKEB C=CCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)[C@H](C)CCC3 2302103 UYQLDZZEWSIYJA-CQSZACIVSA-N 382.554 5.474 30 40 GKEB COc1cccc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c1 3082659 JLNHVIFZKDEDEA-WPWMEQJKSA-N 378.431 6.244 30 40 GKEB O=C(O)c1cc(N/N=C/c2ccc(OCc3ccccc3)cc2)ccc1Cl 4920074 RCPMJFORSRKMPF-YDZHTSKRSA-N 380.831 5.063 30 40 GKEB C(=N/Nc1nc2ccccc2o1)\c1cn(-c2ccccc2)nc1-c1cccs1 5751365 KDJGVGUNHXIJCK-LPYMAVHISA-N 385.452 5.188 30 40 GKEB CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1cc(Cl)cc(Cl)c1 6160363 KGWIUNZRTIDSBX-UHFFFAOYSA-N 395.293 6.280 30 40 GKEB COc1ccc(-c2c(-c3ccccc3)oc(/N=C/c3ccccc3)c2C#N)cc1 100340807 UIVBOXAWSXRNQI-WPWMEQJKSA-N 378.431 6.244 30 40 GKEB CCCCCCCCCCCCCCCCCC[N+](C)(C)CC(=O)OCC 100933165 ORJNBXRLGYTVJK-UHFFFAOYSA-N 384.669 6.887 30 40 GKEB Cc1cc(C(=O)O)ccc1/N=C/c1cc(C)n(-c2ccc3ncccc3c2)c1C 141314759 YVMGCSMLRLZUIP-VULFUBBASA-N 383.451 5.400 30 40 GKEB Cc1cc(/C=N/N(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(F)cc1 408775700 RMSDXQWKNBITDA-OVVQPSECSA-N 383.470 6.405 30 40 GKEB Cn1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c2ccccc21 409077461 FGIPQRFPSNWJKM-WJNWYLSZSA-N 375.541 6.013 30 40 GKEB C=CCOc1c(Br)cc(CNc2ccc(F)cc2)cc1OCC 409197593 JOOWYVSYXZILLF-UHFFFAOYSA-N 380.257 5.164 30 40 GKEB CCCCOc1cccc(/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)c1 2272185 FWAZRWLMUSJDBH-ZXVVBBHZSA-N 395.506 6.469 30 40 GKEB C=CCn1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccccc1C 2359723 FYTKHOCIBHWVGW-UHFFFAOYSA-N 390.339 6.039 30 40 GKEB Cc1ccc2nc(-c3ccc(/N=C/c4cccc5ccccc45)cc3)sc2c1 3152306 XJMAFEINIXCEEC-WGOQTCKBSA-N 378.500 7.176 30 40 GKEB COc1ccc2c(Cl)c(C(=O)OCc3ccc(C#N)cc3)sc2c1Cl 3262013 UVPGZOPTFSCONZ-UHFFFAOYSA-N 392.263 5.445 30 40 GKEB C(=N/Nc1ccccc1)\c1cn(Cc2cccc3ccccc23)c2ccccc12 4675673 AGKXAGZEZXWVMG-WPWMEQJKSA-N 375.475 6.289 30 40 GKEB COc1ccc(C(=O)/C=C/c2cccc(Cl)c2Cl)cc1CN1CCCC1 13096672 XRNHTQQOHSELDI-VQHVLOKHSA-N 390.310 5.494 30 40 GKEB CCCCCCCOC(=O)C1[C@H](c2ccccc2)C(C(=O)O)[C@H]1c1ccccc1 49784563 ZCPGURXHGYKDDY-KBFCKHRLSA-N 394.511 5.398 30 40 GKEB CC(C)c1ccc(-c2nc3ccc(/N=C/c4cc(Cl)ccc4O)cc3o2)cc1 98086881 LLYSBXFWDOQXAL-DHRITJCHSA-N 390.870 6.728 30 40 GKEB CCCCCCCCCCCCCCS(=O)(=O)Nc1ccccc1OC 100922110 NIWQFQIJKRDGCW-UHFFFAOYSA-N 383.598 6.138 30 40 GKEB C=CCOc1ccc(NC(=S)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1 225511802 KSYDYEMYFBZXCK-QHCPKHFHSA-N 388.536 5.636 30 40 GKEB CCCCCCCCOc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1 408585469 FIBZSIAXGNUDPB-UHFFFAOYSA-N 375.512 6.831 30 40 GKEB N#Cc1c(NC(=O)COc2ccc(C3CCCCC3)cc2)sc2c1CCC2 408629211 PZYMVUIIEXFEOC-UHFFFAOYSA-N 380.513 5.174 30 40 GKEB CCOc1ccc(Cl)cc1/C=N/c1ccc(Oc2ccccc2Cl)cc1 409096190 JPJFOZFQNVWVJF-ZVHZXABRSA-N 386.278 6.935 30 40 GKEB CC[C@H](C)Oc1ccccc1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O 409403943 NVSZAPITJJKWGW-SFHVURJKSA-N 397.478 5.123 30 40 GKEB O=C(Oc1ccc2cccc3c2c1C(=O)C=C3)c1ccccc1Br 971377 CNGMAIKRLWCRIU-UHFFFAOYSA-N 379.209 5.031 30 40 GKEB Cc1ccc(O)c(/C=N/c2ccc3oc(-c4cc5ccccc5cc4O)nc3c2)c1 3116227 FVVFQMLVRNZJDO-VULFUBBASA-N 394.430 6.118 30 40 GKEB C=CCN1C(=O)CN=C(c2ccc(C(C)(C)C)cc2)c2c1sc1c2CCCC1 4212611 IXQRJKWJHABOGX-UHFFFAOYSA-N 392.568 5.294 30 40 GKEB CCOc1ccc(/N=C/c2ccc(OCc3ccc(F)cc3)c(OCC)c2)cc1 6962548 RORZZHYTFUIFBT-WGOQTCKBSA-N 393.458 5.953 30 40 GKEB Cc1ccc(Cn2cc(/C=N/NCc3ccccc3Cl)c3ccccc32)cc1 8811565 YGWNHXMLEJTIAT-JFLMPSFJSA-N 387.914 5.775 30 40 GKEB Clc1ccc(OCc2ccccc2)c(/C=N/NCc2ccccc2Cl)c1 8811769 PVCFKHWAQAQBOU-AFUMVMLFSA-N 385.294 5.696 30 40 GKEB CCc1c(C)c(C#N)c2nc3ccccc3n2c1SCc1ccc(Cl)cc1 12648800 DTOLYIWTYLEDQY-UHFFFAOYSA-N 391.927 6.176 30 40 GKEB CCN(CC)c1ccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 20242147 VDXBAWXNUMDDSI-TURZUDJPSA-N 386.583 6.751 30 40 GKEB CCCCCCCCc1ccc(/N=C/c2ccc(OCCCCCC)cc2)cc1 100166204 ZIEZBSKSIITGJE-WEMUOSSPSA-N 393.615 8.299 30 40 GKEB C=CCOc1ccc(/C=N/Nc2ccc3ccccc3n2)cc1Br 408740448 GCYAUGFQWHSEFI-FYJGNVAPSA-N 382.261 5.008 30 40 GKEB CC[C@@H](C)N1C(=O)/C(=C\c2ccc(C)c(OC)c2)S/C1=N\c1ccc(C)cc1 408912059 KRACJNVIKOZWOG-QIZRFRSPSA-N 394.540 5.715 30 40 GKEB Clc1ccc(/N=C\c2cccn2-c2cccc(Br)c2)cc1Cl 409020986 WOTHOBOKWTWGEC-NHDPSOOVSA-N 394.099 6.297 30 40 GKEB C=CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1Cl 409051602 BLKGHABHTQLVBZ-UNOMPAQXSA-N 399.899 5.450 30 40 GKEB CCCCCCCC[C@H](CCCCCC)Cc1ccc(Br)cc1 1776010991 OAOWDHHAGVEXFC-FQEVSTJZSA-N 381.442 8.329 30 40 GKEB CCCCCCCSc1nc2ccccc2c(=O)n1-c1ccccc1OC 2309053 OPHXUGYFJPJANA-UHFFFAOYSA-N 382.529 5.457 30 40 GKEB COc1cccc(/C=N/c2ccc(O)c(-c3nc4cc(C)c(C)cc4o3)c2)c1O 4550759 XZUCVCCQSRPRBV-WYMPLXKRSA-N 388.423 5.282 30 40 GKEB Clc1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3)nc3ccccc23)cc1 4828763 VEULYQYXBVVKGY-ZMOGYAJESA-N 393.277 6.050 30 40 GKEB COc1ccccc1N(C(=O)c1ccc(C#N)cc1)c1nc2ccccc2s1 5938383 MYEUPQPCBAGFJO-UHFFFAOYSA-N 385.448 5.155 30 40 GKEB O=C(/N=C1\c2ccccc2CN1c1ccc(Cl)cc1)Nc1cccc(Cl)c1 12524016 ZIXJDPLMVKQFHI-LKUDQCMESA-N 396.277 5.992 30 40 GKEB C=CCOc1ccc(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 12984512 YUEVAABXJHZLKB-IXDOJHRFSA-N 390.508 5.238 30 40 GKEB Cc1cccc(/N=C2\S/C(=C\c3ccccc3)C(=O)N2c2cccc(C)c2)c1 16745277 MUMLDJWDJQPOPO-WMOWQXFYSA-N 384.504 6.112 30 40 GKEB O=C1N/C(=N\c2cccc(C(F)(F)F)c2)S/C1=C\c1c[nH]c2ccccc12 17137792 GMHKPPISUXEJHE-PXNMLYILSA-N 387.386 5.078 30 40 GKEB C[C@@H]1C/C(=N/NC(=S)Nc2cc(C(F)(F)F)ccc2Cl)CC(C)(C)C1 35507232 CPWRAWFFVIGDHR-WZHPXSHISA-N 391.890 5.847 30 40 GKEB CCCCCCCN(CCCCCCC)C(=N)c1ccc(OC)c2ccccc12 95741722 WHBCJCZYRNOBLR-UHFFFAOYSA-N 396.619 7.417 30 40 GKEB O=C1/C(=C/c2ccccc2Cl)S/C(=N\c2ccccc2)N1C1CCCC1 100389535 VUAZIAQMHKSEQZ-IVTNFPRSSA-N 382.916 5.887 30 40 GKEB CCn1cc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(OC)ccc5[C@H]4CC[C@@]3(C)C2=O)cn1 105263946 XKRIBCLXBKPPCM-WBHYLMNTSA-N 390.527 5.030 30 40 GKEB C=CCSc1ccccc1C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 219817255 RDJCOVZKQKWMIV-LJQANCHMSA-N 394.584 5.692 30 40 GKEB C=CCOc1c(Cl)cc(CNc2ccc(Cl)cc2Cl)cc1OCC 408613085 XJHXJJQLGXRINW-UHFFFAOYSA-N 386.706 6.222 30 40 GKEB Cc1ccc(Cl)cc1-c1ccc(/C=N/Nc2ccc(C(F)(F)F)cn2)o1 409095430 HQEBPAQDXFJSGG-YSURURNPSA-N 379.769 5.768 30 40 GKEB CC(C)n1cc(/C=C2/S/C(=N/c3ccccc3)N(C)C2=O)c2ccccc21 409157663 VNGCYRGFDUNHIA-SAPPFYIZSA-N 375.497 5.456 30 40 GKEB O=C(c1ccc(Cl)cc1Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575242851 LQGFHVOHVWQTLB-UHFFFAOYSA-N 393.032 5.644 30 40 GKEB Brc1cccc(/C=N/c2ccc3oc(-c4ccncc4)nc3c2)c1 974072 MFBROOTXLALNSM-WSDLNYQXSA-N 378.229 5.403 30 40 GKEB COc1ccccc1[C@H]1CCCCCC[C@@H]1OS(=O)(=O)c1ccc(C)cc1 1725324 HIXCEEZJIGIVRB-IRLDBZIGSA-N 388.529 5.216 30 40 GKEB O=c1oc2ccccc2cc1-c1cccc(/N=C/c2cccc(Cl)c2Cl)c1 3068832 LNGUBQWBDGPDRK-DHRITJCHSA-N 394.257 6.517 30 40 GKEB FC(F)(F)c1cc(/N=C/c2ccc(-c3ccccc3)cc2)cc(C(F)(F)F)c1 3281144 UJOWSNHBCUWUTM-XODNFHPESA-N 393.330 7.142 30 40 GKEB N#Cc1ccc(/C=N/c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)cc1 4550165 NYIHOFXKTMLLTH-WGOQTCKBSA-N 382.854 5.815 30 40 GKEB CC/N=C1\S/C(=C/c2ccc(-c3c(Cl)cccc3Cl)o2)C(=O)N1CC 5552175 XYCWCGGPAMCAPQ-XYGVBGMQSA-N 395.311 5.566 30 40 GKEB CCOc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCc1ccccc1 6959891 HNWJQSLHTZTJGQ-CVKSISIWSA-N 393.914 6.685 30 40 GKEB COc1cc(/C=N/c2ccc(C)cc2)ccc1OCc1cccc2ccccc12 8371909 OWQLFQUXHXCTHW-WPWMEQJKSA-N 381.475 6.486 30 40 GKEB O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1)N(c1nc3ccccc3s1)N2 8558961 SUGFMWDLFOYBCN-IBGZPJMESA-N 381.888 5.023 30 40 GKEB N#Cc1ccc(-c2ccc(Cl)cc2)nc1S[C@@H](C(=O)O)c1ccccc1 12249767 QUAKZEOSMGQMMK-GOSISDBHSA-N 380.856 5.192 30 40 GKEB CCOc1ccc(/C=N/c2ccc(/C=C3\C(=O)[C@@H](C(C)C)CC[C@H]3C)cc2)cc1 32689315 AOVYIILFFICBDN-XDNJAMFDSA-N 389.539 6.491 30 40 GKEB Cc1cccc(/N=c2\scc(-c3ccc(F)cc3)n2/N=C/c2ccccn2)c1 101275967 WZLAZXBRQAYPQD-IRESZABISA-N 388.471 5.174 30 40 GKEB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc21 198074486 UCCMVVACZCJMPZ-RTMGKINMSA-N 384.523 6.952 30 40 GKEB COc1cc(-c2nc3ccccn3c2/N=C/c2cccc(Cl)c2)ccc1O 408736006 ZPNAOWFULJGNEN-YDZHTSKRSA-N 377.831 5.120 30 40 GKEB CN(C)c1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)o1 408857975 QUNOBOKYNDHOSG-UCQKPKSFSA-N 393.512 5.289 30 40 GKEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/c2cccc(Br)c2)o1 408960347 FDIWROGBRCQYFH-SRZZPIQSSA-N 384.229 5.466 30 40 GKEB CC[C@H](C)c1ccc(O)c(/N=C/c2cc(Cl)cc(Br)c2O)c1 793539 LDCRFKBXKHBQTF-YPZZKDGISA-N 382.685 5.778 30 40 GKEB C=C(C)Cn1c(SCCCCC)nc2sc3c(c2c1=O)CC(C)(C)OC3 2183515 ZSHDMMITQUBTSK-UHFFFAOYSA-N 392.590 5.168 30 40 GKEB Cc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)ccc1[N+](=O)[O-] 2739096 PPHOKNFBVMAQMG-CQSZACIVSA-N 397.500 5.240 30 40 GKEB Cc1cccn2c(/C=N/OCc3cccc(F)c3)c(-c3ccc(Cl)cc3)nc12 4024659 KDYRYTYEZDBVKN-DHRITJCHSA-N 393.849 5.653 30 40 GKEB CCOc1cc(/C=N/Nc2ccc(Br)cc2)ccc1OC(C)C 4655952 UCXJMNALSDONQW-UDWIEESQSA-N 377.282 5.081 30 40 GKEB COc1ccc(Br)cc1/C=N/Nc1ccnc2cc(Cl)ccc12 4868354 YUPDCJQUHNZIHB-UFFVCSGVSA-N 390.668 5.105 30 40 GKEB O=C1/C(=C/c2ccncc2)Oc2cc(OCc3ccc(Cl)cc3Cl)ccc21 5180516 XGRMDGPUXRTMFI-UKWGHVSLSA-N 398.245 5.584 30 40 GKEB N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(F)c(F)c1F 6604482 CXHLLNDMSQSHGH-UHFFFAOYSA-N 384.382 5.379 30 40 GKEB CC(=O)c1cccc(/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c1 100191795 RLIDXYDQARVYPH-YDZHTSKRSA-N 395.300 5.810 30 40 GKEB CCCCCCCC[C@@H](CN(CCCC)CCCC)N(CCCC)CCCC 100923603 FBGXRVIRNTXTBB-SANMLTNESA-N 396.748 7.910 30 40 GKEB CCCC[C@@]12CC/C(=C(/O)c3ccccc3F)C(O)=C1C(=O)c1ccccc1O2 102979708 UWAGNZXVKTWZGB-VKCJIPKCSA-N 394.442 5.905 30 40 GKEB COC(=O)c1cc(-c2ccc(/C=C/C(=O)c3ccc(OC)cc3)o2)ccc1Cl 408656211 LUHZOYGLUMGAFR-DHZHZOJOSA-N 396.826 5.291 30 40 GKEB CCc1ccc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)cc1 408917330 RFWPHEVXYSHSEE-YACCPEJUSA-N 388.492 5.646 30 40 GKEB Cc1cc2c(cc1C(=O)/C=C/N(C)C)N(C(=O)c1ccccc1)C(C)(C)C[C@H]2C 1554503628 VLQSYBAYWZOGAP-QFQMRYFISA-N 390.527 5.186 30 40 GKEB CCCCCCCCCC(=O)Oc1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 2068276 RBRLWBBXFYCLQJ-NHCUHLMSSA-N 399.531 5.412 30 40 GKEB Cc1cc(C)c(N=C(Nc2c(C)cc(C)cc2C)N(C)Cc2ccccc2)c(C)c1 3179240 MCUKAQJBYKTPTC-UHFFFAOYSA-N 399.582 6.769 30 40 GKEB C=C(C)c1cccc(C(C)(C)NC(=O)NCc2ccc(Cl)cc2Cl)c1 3212031 GWLSVNXLQAMDLU-UHFFFAOYSA-N 377.315 5.761 30 40 GKEB CC(C)CC[C@@]1(CC/N=C/c2ccc(OC(C)C)cc2)CCO[C@@H](C(C)C)C1 4065030 HLDDUVJWECTGLW-JFTSZFCESA-N 387.608 6.540 30 40 GKEB biogenic Cc1cc2cc3c(nc2cc1C)S/C(=N/CC(C)C)N(C1CCCCC1)C3 4967322 OCAXJFFOGYHHGS-WCWDXBQESA-N 381.589 6.104 30 40 GKEB CCc1cccc(C)c1/N=C1\NC(=S)N(c2ccccc2Cl)C12CCCC2 5695279 KHDDYSSWHAOMTH-UHFFFAOYSA-N 397.975 5.948 30 40 GKEB CC(/C=C1\S/C(=N/c2cccc(Cl)c2Cl)N=C1O)=C\c1ccccc1 6780316 TZMNEYHQUPRDSV-YPKRTGEASA-N 389.307 6.672 30 40 GKEB Cc1cc(SCC(=O)/C=C2\N(C)c3ccccc3C2(C)C)nc2ccccc12 14361296 KLOYTGUGOIGVOW-HMAPJEAMSA-N 388.536 5.516 30 40 GKEB C/C(=N\Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1ccc(C)cc1 27529295 NPTYXOMNNWETDZ-NLRVBDNBSA-N 383.520 6.622 30 40 GKEB CCCCCCCCCOc1ccc(/C=N/c2ccc(C(=O)OCC)cc2)cc1 68569027 SKWAZAONQCWXAA-LHLOQNFPSA-N 395.543 6.743 30 40 GKEB CC1CCN(C(=O)c2cccc3c2-c2ccccc2/C3=N\Nc2ccccc2)CC1 95117215 PRUCRKLGWHVDHW-AZPGRJICSA-N 395.506 5.404 30 40 GKEB CCCOc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)cc1 408843908 HMSFDPOUJQSLOS-PDGQHHTCSA-N 386.904 5.329 30 40 GKEB O=[N+]([O-])c1cccnc1N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 409094254 CUUGGRJNXOJYML-AWQFTUOYSA-N 377.187 5.003 30 40 GKEB COc1ccccc1Oc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1 409101454 XTTYLPKXCJNKDE-LPYMAVHISA-N 382.803 5.800 30 40 GKEB Cc1cccc(/N=C/c2c(OCc3ccccc3F)ccc3ccccc23)c1C 409211465 NTCHZQVXUSSAIS-LQKURTRISA-N 383.466 6.925 30 40 GKEB C=CCN1C(=O)/C(=C\c2c(OCCCC)ccc3ccccc23)SC1=S 409326904 GGYNRUDTHLTZSR-XMHGGMMESA-N 383.538 5.406 30 40 GKEB COc1ccc(/N=C/c2cc(Cl)cc(Br)c2O)cc1Cl 1433901 BSMLCJCCQBVIEJ-CNHKJKLMSA-N 375.049 5.221 30 40 GKEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccco2)cc1 4074976 TTXPQQKLSIZVJF-FYSMJZIKSA-N 386.451 5.268 30 40 GKEB COc1cccc(/C=N/Nc2nc(-c3ccc(Cl)cc3)nc3ccccc23)c1 4828787 LQRKCQKFOLAWRN-ZVHZXABRSA-N 388.858 5.405 30 40 GKEB CCOc1ccc2nc(SCc3c(Cl)cccc3Cl)c(C#N)cc2c1 4994014 FWLFSRVVCLGKPI-UHFFFAOYSA-N 389.307 6.104 30 40 GKEB CC(C)(C)N1C(c2ccccc2)=NN(c2ccccc2)[C@@H]1C#Cc1ccccc1 6262557 IHGUOMMLMAJCDZ-XMMPIXPASA-N 379.507 5.347 30 40 GKEB CCCCCOc1ccc(/C=N/Nc2nc(-c3ccc(C)cc3)cs2)cc1 11992306 BCRRLZYGLIMUJM-HZHRSRAPSA-N 379.529 6.134 30 40 GKEB C=CCN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 224938050 VOROPVVUHRTMPN-UHFFFAOYSA-N 394.682 5.167 30 40 GKEB COc1ccc(C2(C(=O)Nc3ccc(OCC(C)C)c(C#N)c3)CCCC2)cc1 225754485 JOVOIWWLHNQSFD-UHFFFAOYSA-N 392.499 5.052 30 40 GKEB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@]43C)[C@H]1C/C(=C\c1ccccc1Cl)C2=O 253499766 ABPLWVLRVBSYHB-UBZNNTQGSA-N 397.002 7.335 30 40 GKEB COC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c(C)c1 408770890 CFGHUVQIJSUVHF-ZMOGYAJESA-N 380.875 5.593 30 40 GKEB CC[C@@H](C)Oc1ccccc1/C=N\c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 409209346 GEFJPKNQFZTQJG-BWUDNKPYSA-N 394.584 6.699 30 40 GKEB F/C(=C/CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F 575330361 JGDCZHIABNZBBC-HNQUOIGGSA-N 396.093 5.896 30 40 GKEB Cc1cccc(NC(=O)CSc2nc3c(C)c(C)ccc3cc2C#N)c1C 4849080 BKCFEVLZHFQODG-UHFFFAOYSA-N 375.497 5.071 30 40 GKEB CCn1c2ccccc2c2cc(/C=N/Nc3nc(-c4ccccc4)cs3)ccc21 5569488 VRLSXXQLDXTTLG-MFKUBSTISA-N 396.519 6.384 30 40 GKEB CC(=C\c1ccccc1)/C=C1/S/C(=N\c2cc(Cl)cc(Cl)c2)NC1=O 12032483 GOVDXADQNGZDMM-RZKYTRJLSA-N 389.307 5.831 30 40 GKEB CN(Cc1cccc(C#N)c1)C(=O)/C(=C/c1ccccc1)c1ccc(Cl)cc1 25104915 UBGUDTOUEXWNLY-HZHRSRAPSA-N 386.882 5.411 30 40 GKEB Cc1ccccc1/N=N/c1cc(C)c(N/N=C2\C(=O)C=Cc3ccccc32)cc1C 100249672 OLDHUFONGVQOBH-BWKONMGCSA-N 394.478 6.439 30 40 GKEB CCCCc1ccc(N=Cc2ccc(C=Nc3ccc(CCCC)cc3)cc2)cc1 254841489 OWDOPPGNUYIHFQ-UHFFFAOYSA-N 396.578 7.873 30 40 GKEB O=C(COc1ccc(/C=N\c2cccc(Cl)c2)cc1)Nc1ccccc1Cl 408809143 KFWJJHNTILWHDY-CFRMEGHHSA-N 399.277 5.762 30 40 GKEB O=C1/C(=C/c2ccncc2)S/C(=N\c2ccccc2F)N1C1CCCCC1 408852835 JDXMNFSNPKAPPH-KKDTZRSPSA-N 381.476 5.157 30 40 GKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cccnc3Cl)c2C#N)C1 657083 HVXFZTJUVZASEW-GFCCVEGCSA-N 387.936 5.462 30 40 GKEB O=C1C(c2ccccc2)=C(c2ccccc2)[C@@H](c2ccccc2)[C@H]1c1ccccc1 1719562 OYJPHCIJQKVSSN-XNMGPUDCSA-N 386.494 6.748 30 40 GKEB O=C(c1ccc(/N=C/[C@H]2CC=CCC2)cc1)N(c1ccccc1)c1ccccc1 4359615 IUGGJHOXHBMINO-FCIOZCPLSA-N 380.491 6.724 30 40 GKEB COc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCc1ccc(F)cc1 8367873 HCYSHSBBNCZLEX-LGJNPRDNSA-N 397.877 6.434 30 40 GKEB COc1cccc2cc(C(=O)/C=C/c3ccccc3OCc3ccccn3)oc12 12759912 ZJDYPUXQKCEBKG-OUKQBFOZSA-N 385.419 5.312 30 40 GKEB CCCN1C(=O)/C(=C\c2c(C)[nH]c3ccccc23)S/C1=N\c1ccccc1 17076827 ZSCAJMSZMULFPM-NVTWWLNUSA-N 375.497 5.490 30 40 GKEB Cc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3ccc(Cl)cc3)n2)cc1 33011111 YOHBJENCTIWSFR-UHFFFAOYSA-N 393.899 5.313 30 40 GKEB CC/C(C)=N\Nc1nc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc2s1 72229806 VYSNAVPDBRJBJC-QFEZKATASA-N 394.544 6.044 30 40 GKEB C[C@H]1CC[C@H]([C@@H]2C[C@H]3CC[C@H]2C3)/C(=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 108234410 GAQNEEVUJTXDHR-HYKSUFIISA-N 386.452 5.143 30 40 GKEB N#Cc1ccccc1CO/N=C/c1ccc(-c2ccc(Br)cc2F)o1 408596359 RSXMGSPHWOTYHF-FOKLQQMPSA-N 399.219 5.271 30 40 GKEB C(=N/c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)\c1ccc(N2CCCCC2)cc1 408961661 UKAWBFLOFIHLOL-ZTKZIYFRSA-N 398.594 6.895 30 40 GKEB C=C(C)c1ccc(C(C)(C)NC(=O)N(Cc2ccccc2)Cc2ccco2)cc1 783598 XNIUJNBFHCAGOF-UHFFFAOYSA-N 388.511 5.960 30 40 GKEB CCCCCCCSc1nc(N)c2c3c(sc2n1)C[C@H](C(C)(C)C)CC3 2292102 OWUDOGKZSAEKLJ-CQSZACIVSA-N 391.650 6.487 30 40 GKEB CO/N=C/[C@H]1C(=O)c2c(Oc3ccc(Cl)cc3)cccc2[C@H]1c1ccccc1 4002255 VPXADWRRRLWUQS-GYIGQHDLSA-N 391.854 5.709 30 40 GKEB O=C1c2ccccc2C(=O)N1/N=C/c1c2ccccc2c(Cl)c2ccccc12 5560722 NTRBLCUDORVVKQ-DHRITJCHSA-N 384.822 5.277 30 40 GKEB C=CC/N=c1\scc(-c2ccccc2F)n1/N=C/c1ccc(SC)cc1 12653618 OAAMOGXSZPEAAW-JTBXLCSZSA-N 383.517 5.047 30 40 GKEB O=C1N/C(=N\c2ccc(Cl)cc2)S[C@H]1Cc1cc(Cl)ccc1Cl 17027302 FKAPFMWPJIJLTE-AWEZNQCLSA-N 385.703 5.109 30 40 GKEB O=C(/C(=N\N=C/c1c(O)ccc2ccccc12)c1ccccc1)c1ccccc1 104132344 HDARXOBQELQFES-LXJFTCGDSA-N 378.431 5.252 30 40 GKEB CCCCCCCCCCCCCCCCCc1nc(O)nc(O)c1Cl 104382191 NBLRUDQROSAIGF-UHFFFAOYSA-N 384.992 6.955 30 40 GKEB COc1cc(C)c(/C=N/c2ccc(Oc3ccccc3Cl)cc2)cc1OC 408549811 ZMFBCFNEEWTEES-ZVHZXABRSA-N 381.859 6.209 30 40 GKEB COc1ccc(C(=O)/C=C/c2cn(Cc3ccccc3C#N)c3ccccc23)cc1 408656272 LWBRRFNXNYSRHA-NTCAYCPXSA-N 392.458 5.466 30 40 GKEB CCCCCCCCCCNC(=O)C(=O)Nc1ccc(OCCCC)cc1 408709028 OFRURIWNOHASDC-UHFFFAOYSA-N 376.541 5.061 30 40 GKEB Cc1cc(/C=N\c2ccccc2Br)c(C)n1-c1cccc([N+](=O)[O-])c1 408770839 AJOZLMCHTVUCHR-MTJSOVHGSA-N 398.260 5.515 30 40 GKEB Cc1c([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)c2ccccc2n1C 408806584 AGDWBGRHRDUPBU-MHZLTWQESA-N 392.502 6.313 30 40 GKEB COc1ccc(Cl)cc1/C=C1\SC(=Nc2ccc(Cl)cc2C)NC1=O 408857503 HJQUZFBQXIDJHO-SXGWCWSVSA-N 393.295 5.202 30 40 GKEB Cc1oc(/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c(C#N)c1C 408919658 ZVLICFRANJSOIG-OPEKNORGSA-N 399.277 6.405 30 40 GKEB COc1ccc(C/N=C\c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)cc1 409092351 UXCUXOMGBFHNEA-QQXSKIMKSA-N 375.512 5.488 30 40 GKEB Oc1cc(Cl)ccc1/N=C/c1ccc2c(ccn2Cc2cccc(F)c2)c1 409251356 PNODNRGRKJPVRN-DHRITJCHSA-N 378.834 5.938 30 40 GKEB Oc1ccc(Br)cc1/C=N/c1cccc(-c2nc3ccccc3o2)c1 728294 QYSFDHSVIPZMBV-WSDLNYQXSA-N 393.240 5.714 30 40 GKEB CCN(CC)c1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC3)cc1 1441998 APOZECGWNFAEBS-SANMLTNESA-N 382.507 5.969 30 40 GKEB Oc1ccc(Br)cc1/C=N/c1ccc(-c2nc3ccccc3[nH]2)cc1 3099227 WAKFGUWBGWLUJB-WSDLNYQXSA-N 392.256 5.449 30 40 GKEB N#C/C(=N/Nc1cccc2ccccc12)c1nc(-c2ccc3c(c2)OCO3)cs1 4175467 NYHYDGIQQYUNHK-ITYLOYPMSA-N 398.447 5.032 30 40 GKEB N#Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC4CCCCC4)C3=O)o2)cc1 4690999 IDYICPYADAZMQD-UDWIEESQSA-N 392.480 5.435 30 40 GKEB Cc1ccc([C@@H]2C3=C(CCCC3=O)Nc3c2c(C)nn3-c2ccc(F)cc2)s1 4979967 BZJKYTMNHPHWAK-NRFANRHFSA-N 393.487 5.254 30 40 GKEB C/C(=N\N=C(/C)c1cccc(Br)c1)c1cccc(Br)c1 5020650 VRWSAXLOCVJMGX-AYKLPDECSA-N 394.110 5.445 30 40 GKEB CC(=O)Nc1ccc([C@@H]2Sc3ccccc3NC3=C2C(=O)c2ccccc23)cc1 5180384 XHCGNCUHHREBBO-DEOSSOPVSA-N 398.487 5.512 30 40 GKEB C/C(=N\Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)cc1Cl 5751028 XEPYOTKHOIRJCE-ODCIPOBUSA-N 392.164 5.757 30 40 GKEB CCOc1cc(/C=N/NCc2ccc(Cl)cc2)ccc1OCc1ccccc1 10118764 XNKFZISBCIUCLG-WGOQTCKBSA-N 394.902 5.441 30 40 GKEB O=C1CCCC2=C1[C@H](c1ccc(Cl)c(Cl)c1)c1cc3c(cc1N2)OCO3 18197404 DYQLIISWKQHYPU-LJQANCHMSA-N 388.250 5.287 30 40 GKEB Cc1ccsc1[C@H]1C2=C(C[C@H](c3cccs3)CC2=O)Nc2[nH]nc(C)c21 18200085 VAZIIDINXXEBRI-KPZWWZAWSA-N 381.526 5.108 30 40 GKEB CCCCC1CCC(c2nc(C#N)c(N/N=C/c3ccc([N+](=O)[O-])cc3)o2)CC1 27562600 QVWQXZUCASTXIF-OEAKJJBVSA-N 395.463 5.364 30 40 GKEB Cc1cc2c(cc1C)CN(c1ccc(/C=N/c3cccc(C(F)(F)F)c3)cc1)C2 100102555 GXPCIUOHVZJWEY-XODNFHPESA-N 394.440 6.593 30 40 GKEB CCCCCCCCCCCC(=O)Nc1ccc(NC(=O)c2ccco2)cc1 100529981 NZTXATHBOLIZPW-UHFFFAOYSA-N 384.520 6.391 30 40 GKEB CCCCCCCCNCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 102562102 IXOGTDWGHUJNDY-UHFFFAOYSA-N 394.386 7.023 30 40 GKEB Oc1ccccc1/C=N\c1cccc(N(Cc2ccccc2)Cc2ccccc2)c1 104058473 BGITVMSRNRNFGO-USHMODERSA-N 392.502 6.350 30 40 GKEB 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ORIUCDURGVKFMK-OCKHKDLRSA-N 375.251 5.955 30 40 GKEB Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)Nc1sc2c(c1C#N)CCCC2 12274737 BKURHWURPFMKMW-UHFFFAOYSA-N 396.899 5.973 30 40 GKEB CCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(-c4ccc(C#N)cc4)o3)S2)cc1 18265199 GPBQPHUUONSPNX-BKUYFWCQSA-N 399.475 5.272 30 40 GKEB C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1ccc(F)c(F)c1 36333338 BHMPPGABHNXMRI-CQSZACIVSA-N 394.446 5.479 30 40 GKEB Clc1ccc(/C=N/C2=N[C@H](c3ccco3)[C@@H](c3ccco3)S2)c(Cl)c1 59461327 BYHMDPNBWWCVOH-CZNNXAQKSA-N 391.279 6.184 30 40 GKEB COc1ccc(-c2nc(/N=C/c3ccccc3F)sc2-c2ccccc2)cc1 408721901 BFQWCOCQGZYZHT-MFKUBSTISA-N 388.467 6.375 30 40 GKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(C)c([N+](=O)[O-])c3)C(=O)N2C(C)C)cc1 408916432 XKNOCHUOPPHTBK-FOLIBTTPSA-N 395.484 5.224 30 40 GKEB C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)C1=O 409071548 HCFBNJBCHOKAKO-DEDYPNTBSA-N 380.513 5.440 30 40 GKEB CCOc1ccc(-n2c(C)cc(/C=N/Nc3ccc4ccccc4n3)c2C)cc1 409191020 YQECCTRFWAOFLH-PCLIKHOPSA-N 384.483 5.487 30 40 GKEB