smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C=CCSc1nc2sc3c(c2c(=O)n1CC=C)C[C@@H](C(C)C)OC3 2273939 NMSUPBGQPYEVRN-ZDUSSCGKSA-N 362.520 4.019 30 40 FIEB N#Cc1c(N)nc2c(c1N)[C@@H](SCc1ccccc1)c1ccccc1O2 20094818 JLUDBKWKUVCBHN-SFHVURJKSA-N 360.442 4.246 30 40 FIEB C=CC[C@](O)(c1ccc(CC)cc1)[C@@H](CN1CCOCC1)c1ccccc1 26958565 YZVKMGUVVHJPGK-ZEQRLZLVSA-N 365.517 4.129 30 40 FIEB C=CCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)S/C1=N\c1ccccc1 59426415 UUPNFKGMYJFOOI-YWKYIXQJSA-N 365.414 4.385 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2cccc(F)c2)C[C@H]1c1cccc(OC)c1 97104963 FIEASBBHPYPMEO-PZJWPPBQSA-N 368.404 4.154 30 40 FIEB CC(=O)[C@H]1[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@H](O)C[C@@]21C 118926101 FCBHFLRFWJSOTB-YKIFUZJISA-N 362.485 4.032 30 40 FIEB C#CCN1C(=O)S/C(=C/c2cccn2-c2ccc(C)c(Cl)c2)C1=O 409043102 PURYGAMSEQFYJZ-LFIBNONCSA-N 356.834 4.109 30 40 FIEB Cc1ccc(CN2CCC[C@H]2c2cccc(Nc3ccc(C#N)nc3)n2)cn1 585294040 MXKDJEKHWBZOPG-NRFANRHFSA-N 370.460 4.132 30 40 FIEB COc1ccc(-n2nc(-c3ccc(Br)cc3)cc2CC#N)cc1 988107 SUSDGWTWUJAYDK-UHFFFAOYSA-N 368.234 4.376 30 40 FIEB CC(=O)[C@@H]1[C@@H](c2cccc(Cl)c2)C(C#N)(C#N)[C@@H]2c3ccccc3C=CN12 988990 BOSYLVLSCRTKPW-NJYVYQBISA-N 373.843 4.456 30 40 FIEB CC1=C(C(=O)c2ccccc2)[C@@H](c2ccccc2C(F)(F)F)NC(=O)N1 5504618 TZZOMLOQPXNQJH-MRXNPFEDSA-N 360.335 4.216 30 40 FIEB Cc1nc(SCC(=O)N2CCC[C@H]2c2cccs2)c(C#N)c(C)c1C 8133339 MBCYLNRHCKJAPJ-INIZCTEOSA-N 371.531 4.396 30 40 FIEB Cc1cc2oc(=O)cc(COC(=O)C3(C#N)CCCC3)c2cc1C(C)C 8778235 QFTUSXRUCLXHPL-UHFFFAOYSA-N 353.418 4.352 30 40 FIEB Cc1ccc(CN(C)[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)o1 8879968 XFAKKWODEUMIIS-CQSZACIVSA-N 371.506 4.249 30 40 FIEB Cc1ccc(-c2csc([C@]3(C(N)=O)O[C@H]3c3ccccc3Cl)n2)cc1 12250617 NWETUEPGCSSPDB-LPHOPBHVSA-N 370.861 4.224 30 40 FIEB Cc1[nH]n(-c2nc3ccccc3s2)c(=O)c1/C=N\[C@H](C)c1ccccc1 13600705 UGOPQUPOUZBZHH-MUBJSKCLSA-N 362.458 4.264 30 40 FIEB CCSc1nc2n(n1)[C@@H](c1cccc(Cl)c1)C1=C(C[C@@H](C)CC1=O)N2 22608540 PEJSUKLRKQHZPS-HWPZZCPQSA-N 374.897 4.312 30 40 FIEB CC1CCN(CN2C(=O)/C(=N\c3ccc(Cl)cc3)c3ccccc32)CC1 33386524 GMHLJVXXGLRKQT-ATJXCDBQSA-N 367.880 4.497 30 40 FIEB C=C(C)CNC(=S)N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 36847966 ZLDOZJFIRWBKBL-HNNXBMFYSA-N 353.491 4.040 30 40 FIEB CNc1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 100078802 AMPCGOAFZFKBGH-UHFFFAOYSA-O 358.509 4.435 30 40 FIEB Cc1cc(C)c2nc3c(C#N)cc4cc5cccc(C)c5nc4n3c(=O)c2c1 3182735 WJMLXWOBHWTWQM-UHFFFAOYSA-N 364.408 4.346 30 40 FIEB C/C(=N\O[C@H](C)C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 6046068 PRXGUYUROHISCM-GHONEHJGSA-N 350.340 4.473 30 40 FIEB CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccccc2N2CCCC2)c1O 6570159 WJTQFWVHIJYDED-DEDYPNTBSA-N 355.394 4.050 30 40 FIEB O=[N+]([O-])c1ccccc1/C=N/Nc1nc(-c2cccnc2)nc2ccccc12 17138009 BXIGXPZMKBQURC-LPYMAVHISA-N 370.372 4.046 30 40 FIEB CC(=O)Nc1cccc(C(=O)/C=C/c2ccc(O)c(Br)c2)c1 22344572 AROSCZBHTYEEIQ-FNORWQNLSA-N 360.207 4.009 30 40 FIEB CCSc1nncn1/N=C/c1ccc(COc2ccccc2Cl)o1 36611447 OZWZVFYAFBKYOJ-DJKKODMXSA-N 362.842 4.098 30 40 FIEB CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@](C)(O)C[C@]12C 118929587 NVFLFMSIUUPFBG-ZJSZFXQHSA-N 358.522 4.330 30 40 FIEB C#CCOc1ccc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1OC 408555552 GIUVNXUXFWUWES-LJQANCHMSA-N 373.861 4.139 30 40 FIEB CCCCCCCc1nnc(SCC(=O)N(C)c2ccccc2)n1C 408561015 UYUZKKZLRNOEJR-UHFFFAOYSA-N 360.527 4.083 30 40 FIEB CCOc1ccc(/C(C)=N\Nc2nc3ccccc3n2CC)cc1[N+](=O)[O-] 408692691 SFGBXVZKBHIVGM-BKUYFWCQSA-N 367.409 4.199 30 40 FIEB CCOc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1Cl 408937766 JTXNDAKPAYUUDZ-MFOYZWKCSA-N 364.745 4.001 30 40 FIEB C=C1C[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@@]2(C)[C@@]1(OC(C)=O)C(C)=O 504581414 CKFBRGLGTWAVLG-URFMIWOESA-N 370.489 4.185 30 40 FIEB biogenic COc1ccc2c(c1)[C@H](C(=O)N(CC#N)c1ccc(Cl)cc1)CCC2 594053939 SGUOSBJYYRDNTH-GOSISDBHSA-N 354.837 4.325 30 40 FIEB C[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc4c(c3)OCO4)c2C#N)C1 670584 NLCDWWUWKZOASO-RPTYSRGTSA-N 366.442 4.125 30 40 FIEB O=C(/C(=N\N=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1)c1ccccc1 1727229 XPODGHDVKKAUQP-GNMMUHOESA-N 357.369 4.301 30 40 FIEB COc1ccc(/C(C)=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(O)c1 5164009 BKWYAHDWBWENIF-AWQFTUOYSA-N 369.299 4.164 30 40 FIEB CCN(CC)C(=O)c1sc(NC(=O)c2ccc(C)c(C)c2)c(C#N)c1C 5470735 USAAXVQCGPURLX-UHFFFAOYSA-N 369.490 4.279 30 40 FIEB COc1ccccc1N1CCN(/N=C\c2ccc(C(C)(C)C)cc2)CC1 5481535 NBNNYQLURZZSBR-QJOMJCCJSA-N 351.494 4.149 30 40 FIEB C[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3ccccc3F)c2C#N)C1 6764142 VWXOUZKNZOZSCL-SNVBAGLBSA-N 373.478 4.010 30 40 FIEB O=[N+]([O-])c1ccccc1N/N=C/CCC/C=N/Nc1ccccc1[N+](=O)[O-] 16450242 JVWDPIJTVIZNAY-KLCVKJMQSA-N 370.369 4.169 30 40 FIEB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@]5(C(C)=O)O[C@H]5[C@@]4(C)CC[C@@H]32)C1 118917469 GWZAVXCYXHGFFE-RHCGTSLQSA-N 372.505 4.217 30 40 FIEB COc1cc(Cl)c(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1OC 409098384 OORIQTQZOVATQU-QPSGOUHRSA-N 359.735 4.217 30 40 FIEB C=CCc1cc(/C=C2\SC(=S)N(C)C2=O)cc(OCC)c1OCC 409328307 RTRALPXQYUPBFC-PTNGSMBKSA-N 363.504 4.044 30 40 FIEB Cc1ccc(OCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1Cl 866199 PPTURXCGJFFRQQ-UHFFFAOYSA-N 360.866 4.478 30 40 FIEB CC1(C)CC(=O)C([C@H]2C3=C(CC(C)(C)CC3=O)Oc3ccccc32)=C(N)C1 4729748 NKILYIIEQDRTPG-IBGZPJMESA-N 365.473 4.408 30 40 FIEB C=C1C(=C)[C@H]2C=C[C@H]1[C@@H]1[C@@H]2[C@H]2C(c3ccccn3)=NN=C(c3ccccn3)[C@H]12 104133251 ZOZSHDLTHHXEOG-JYXLIDJPSA-N 364.452 4.090 30 40 FIEB O=C1/C(=C\c2ccco2)Oc2c1ccc1c2CN(CCc2ccccc2)CO1 13722336 ZXDBIQBDRQCAJY-FYJGNVAPSA-N 373.408 4.290 30 40 FIEB O=C(O)COc1ccccc1/C=N/N=C1c2ccccc2-c2ccccc21 7860417 ADDYJJGZXVSCDG-YDZHTSKRSA-N 356.381 4.002 30 40 FIEB COC(=O)c1ccccc1Nc1cc(C)c(C#N)c2nc3ccccc3n12 5277096 YESKPXYSQSFEDZ-UHFFFAOYSA-N 356.385 4.198 30 40 FIEB COc1ccc(/C=C2\S/C(=N\c3cc(C)cc(C)c3)NC2=O)c(OC)c1 4696373 IRPCFFVBFANCMA-ZDLGFXPLSA-N 368.458 4.212 30 40 FIEB C/C(=N\NC(=S)Nc1ccc(C(C)C)cc1)c1ccc2c(c1)OCCO2 4871750 KJWYQVLOSMZYLW-HYARGMPZSA-N 369.490 4.292 30 40 FIEB C#CCOC(=O)c1ccc(OC)c(OCc2ccc(Cl)c(Cl)c2)c1 226322244 BGIDUZPSLMSBEE-UHFFFAOYSA-N 365.212 4.371 30 40 FIEB CC(C)[C@H]1CC[C@H](C)C2=C1N[C@H](c1ccccc1)C(C#N)(C#N)C2(C#N)C#N 2299729 CNUAJBSOIJZAHJ-YRISNDGFSA-N 369.472 4.354 30 40 FIEB CC(=O)[C@@H]1[C@@H](c2cccc(Cl)c2)C(C#N)(C#N)[C@H]2C=Cc3ccccc3N12 4457550 QEPNCFQURFZJLJ-NJDAHSKKSA-N 373.843 4.330 30 40 FIEB CC[C@H]1S/C(=N/N=C/c2ccc(C)cc2)N(Cc2ccc(F)cc2)C1=O 4950803 ACPSFEZTRFDYIT-NVHJWRPJSA-N 369.465 4.378 30 40 FIEB CCCCOc1ccc(NC(=O)CSc2nc(C)ccc2C#N)cc1 5585006 NQDAREXUHOAUBO-UHFFFAOYSA-N 355.463 4.171 30 40 FIEB COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3cc(OC)c(OC)cc32)cc1 18197147 AMQPTTPKCKUMLJ-NRFANRHFSA-N 365.429 4.277 30 40 FIEB Cc1cc(O)c(CN2CCCCCC2)c2c1C(=O)/C(=C/c1ccncc1)O2 20589349 RQOJNJBJKQWCFB-UYRXBGFRSA-N 364.445 4.088 30 40 FIEB C=CCOc1cccc(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c1 30940720 OWZTWINCSCBVPJ-SFHVURJKSA-N 368.452 4.241 30 40 FIEB Cc1cc(C(F)(F)F)nc(SCc2ccc3nonc3c2)c1C#N 32117739 FGMJEOUUVIAJRH-UHFFFAOYSA-N 350.325 4.109 30 40 FIEB CCOC(=O)/C(=N/Nc1cc(Cl)ccc1Cl)N1C[C@@H](C)C[C@@H](C)C1 34848257 JECUNBOHGFSHAO-DXSRWNHISA-N 372.296 4.260 30 40 FIEB N#Cc1cn(C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc12 226362254 YJOFPMWLUNPEQO-SOFGYWHQSA-N 351.749 4.428 30 40 FIEB Cc1cc2c(cc1/C=C1\SC(=Nc3ccc(Cl)cc3)NC1=O)OCO2 408989140 KEABKLVJDJHHPD-PXNMLYILSA-N 372.833 4.269 30 40 FIEB C#CCN1C(=O)S/C(=C\c2ccccc2OCc2cccc(F)c2)C1=O 1150646 SRADUMRIDJXHSG-PDGQHHTCSA-N 367.401 4.074 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(F)cc2)C[C@H]1c1ccc(OC)cc1 4119625 GJTAIQIEXGLVBG-PZJWPPBQSA-N 368.404 4.154 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccco2)C[C@H]1c1c(F)cccc1Cl 4919495 VLOPTDYJUKGJRK-KPZWWZAWSA-N 362.784 4.391 30 40 FIEB C/C(=N\NC(=S)Nc1ccccc1C(F)(F)F)c1ccc(O)cc1 6299693 PXRNOYPISSYVJG-UFFVCSGVSA-N 353.369 4.122 30 40 FIEB CCOC(=O)C1=C(Nc2ccccc2)O/C(=C\c2ccc(C)cc2C)C1=O 7332337 MDLAZESTHBOKLD-AQTBWJFISA-N 363.413 4.130 30 40 FIEB N#Cc1ccc(OCCOC(=O)Cc2ccc(Cl)cc2Cl)cc1 11482290 MCMMTGMJAKIJDG-UHFFFAOYSA-N 350.201 4.030 30 40 FIEB Oc1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 12464890 BFZLXIJBXOGTLL-KOEQRZSOSA-N 369.468 4.114 30 40 FIEB N#Cc1c(NC(=O)C[C@H](C(=O)O)c2ccccc2)sc2c1CCCCC2 13255699 YDLVXHSRVLWGQZ-HNNXBMFYSA-N 368.458 4.086 30 40 FIEB Cc1nn(-c2ccccc2)c(CSc2ccc3c(c2)OCCO3)c1C#N 18551693 AEDHEBCMIJVCTK-UHFFFAOYSA-N 363.442 4.116 30 40 FIEB Cc1ccc2c(c1)/C(=N/O)C(=O)N2CCCOc1ccc(C(C)(C)C)cc1 101101686 ONLOYWQLKAKWJH-ATJXCDBQSA-N 366.461 4.287 30 40 FIEB COc1ccc(OC)c(NC(=O)c2oc3c(c2C)/C(=N\O)CC(C)(C)C3)c1 101108472 XGYRECIIYGSKLW-HMAPJEAMSA-N 372.421 4.008 30 40 FIEB O=[N+]([O-])c1ccc(-c2ccc(/C=N\OCc3cccc([N+](=O)[O-])c3)o2)cc1 408593845 ROZGURYOTZBQTR-ODLFYWEKSA-N 367.317 4.314 30 40 FIEB N#CCN(Cn1ccc(-c2cccc(OCc3ccccc3)c2)n1)C1CC1 1775988779 HRUQAFHXYMLLMK-UHFFFAOYSA-N 358.445 4.075 30 40 FIEB CC(=O)c1ccc(NN=C(C(=O)c2ccccc2)C(=O)c2ccccc2)cc1 672255 ZQINVIJSHPKZLF-UHFFFAOYSA-N 370.408 4.423 30 40 FIEB C=C(C)CNC(=S)Nc1sc2c(c1C(=O)OCC)CCCCC2 3901293 FKRJRMNISDFKKT-UHFFFAOYSA-N 352.525 4.056 30 40 FIEB Cc1cccc(N/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)c1 4693063 YNAKSJPXECPSKN-UHFFFAOYSA-N 350.443 4.243 30 40 FIEB N#Cc1c(NC(=O)/C=C/C2=Cc3ccccc3OC2)sc2c1CCCC2 5034458 QPAVGYLJFGQHHS-MDZDMXLPSA-N 362.454 4.469 30 40 FIEB Cc1cc(O)c(CN2CCCC[C@@H]2C)c2c1C(=O)/C(=C/c1cccnc1)O2 20573556 NNLQXPDVNZVONW-VUQQOUJSSA-N 364.445 4.086 30 40 FIEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccccc1F 20633194 DCSHMRVFYKOVPJ-LJQANCHMSA-N 363.392 4.194 30 40 FIEB C=C(C)Cn1c(=O)n2nc(-c3ccco3)nc2c2c(CC(C)C)csc21 32100157 DAECVZIGCWCOQL-UHFFFAOYSA-N 368.462 4.140 30 40 FIEB CCC[C@@H]1S/C(=N\N=C\c2ccccc2)N(Cc2ccccc2)C1=O 36093483 GSWGTCMMIARSJA-GXNCNPHTSA-N 351.475 4.321 30 40 FIEB O=[N+]([O-])c1cc(Br)cc(/C=N\c2ccccc2Cl)c1O 98064178 RFYAUHOEVSRYGP-APSNUPSMSA-N 355.575 4.467 30 40 FIEB Cc1ccccc1N/N=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1 100532515 KRDCBUYIKGGSLK-FLFQWRMESA-N 354.413 4.214 30 40 FIEB N#Cc1ccc(NC(=O)N2CCC(Oc3ccccc3Cl)CC2)cc1 152494544 DNHRNYLTHZHQOM-UHFFFAOYSA-N 355.825 4.287 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(C)cc2)C[C@@H]1c1ccccc1OC 4919992 AFLZQWWRXPVFGB-KNQAVFIVSA-N 364.441 4.323 30 40 FIEB CCCCOc1ccccc1/C=N/Nc1nnc2c(n1)[nH]c1ccc(C)cc12 64981636 GQRWBTMTOOVPDM-LPYMAVHISA-N 374.448 4.439 30 40 FIEB COc1ccc(CCNc2oc(COc3ccccc3C)nc2C#N)cc1 3903591 BHLNJRQCRXEADN-UHFFFAOYSA-N 363.417 4.097 30 40 FIEB O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc3c(c2)ncn3-c2ccccc2)c1 4750828 IYDSPJVNRUMGRX-CIAFOILYSA-N 358.357 4.390 30 40 FIEB Cn1c([C@@H](C#N)C(=O)Cc2ccc(Cl)cc2Cl)nc2ccccc21 40162323 QFAWUPPQJBJCHH-ZDUSSCGKSA-N 358.228 4.299 30 40 FIEB N#Cc1ccc(N2CCN([C@H]3CCc4c(Cl)cc(Cl)cc43)CC2)nc1 89794193 OKNVAPVFQLPORO-SFHVURJKSA-N 373.287 4.070 30 40 FIEB COc1cccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3onc(C)c32)c1OC 13691590 OVGPXQHQLGHUMW-KRWDZBQOSA-N 368.433 4.201 30 40 FIEB CCOC(=O)C/C(=N/Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 16682233 ZAGNBKXNLZEOQA-HKWRFOASSA-N 361.785 4.018 30 40 FIEB Cc1ccc(C(=O)/N=C(/Nc2ccccc2)Nc2nc(C)cc(C)n2)cc1 2312869 DTOKUPOKDNXOAP-UHFFFAOYSA-N 359.433 4.122 30 40 FIEB C#C[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4CC5(CC[C@]4(C)[C@H]3CC[C@]21C)OCCO5 3843679 JMZAXRXHLIIAGA-GELPZEIDSA-N 358.522 4.137 30 40 FIEB COc1ccc(/C=N\Nc2nc3c(s2)CCCC3)cc1Br 31854639 GYSPBDOSXYPTHI-MFOYZWKCSA-N 366.284 4.239 30 40 FIEB Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(C(F)(F)F)cc1 23022427 FHQQMUKEQKBLCW-UHFFFAOYSA-N 364.371 4.004 30 40 FIEB Cc1nc(COc2cccc(C(=O)N(C)c3cccc(C#N)c3)c2)cs1 63326014 RIPJBDMRIFALSO-UHFFFAOYSA-N 363.442 4.179 30 40 FIEB CCN(CC)c1ccc(/C=N/c2sc3c(c2C(N)=O)CCCC3)cc1 4046937 DXCJPZITOPFBQF-LPYMAVHISA-N 355.507 4.323 30 40 FIEB CC(=O)c1c(C)[nH]c(C(=O)CSc2nc(C)c(C)c(C)c2C#N)c1C 5172313 WTKROUNYLJYXOJ-UHFFFAOYSA-N 355.463 4.001 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(OC)c2)C[C@H]1c1ccccc1C 4919257 VICFHKBVNXWMKS-UNMCSNQZSA-N 364.441 4.323 30 40 FIEB C=CCc1cc(/C=N\c2cccc(OCC)c2)cc(OC)c1OCC(=O)O 408854010 VLZJRAVLECEDEG-XKZIYDEJSA-N 369.417 4.036 30 40 FIEB CCCCCCCOc1cccc(CNCc2nnc3ccccn23)c1 97971406 PVSYRZHFSGIWNQ-UHFFFAOYSA-N 352.482 4.368 30 40 FIEB N#Cc1cc2c(N)c(C(=O)c3ccc(-c4ccccc4)cc3)sc2nc1N 18179488 LDUAUOYXILYSKC-UHFFFAOYSA-N 370.437 4.230 30 40 FIEB Cc1ccc(C[C@@H](C#N)Sc2nnc(-c3sc(C)nc3C)o2)cc1 40051708 CNHDUWIXTCXYJW-AWEZNQCLSA-N 356.476 4.345 30 40 FIEB CSc1nc(Cl)c(/C=N/OC(=O)c2ccc(C)cc2)c(Cl)n1 2570665 CKCOAOJFXPWOBE-REZTVBANSA-N 356.234 4.005 30 40 FIEB Ic1ccc(/C=N/Nc2ccc3ccccc3n2)cc1 4562325 GTZMPIPALHNXNO-WOJGMQOQSA-N 373.197 4.285 30 40 FIEB CC(C)(C)C1CCC(C(=O)OCC(=O)N(CCC#N)c2ccccc2)CC1 4965302 HQFBODOREPSPKY-UHFFFAOYSA-N 370.493 4.329 30 40 FIEB COCC/N=c1\scc(-c2cccs2)n1/N=C(\C)c1cccs1 6312687 IVADABLLKBASDH-JFXMLQPQSA-N 363.533 4.159 30 40 FIEB C=CCn1c(SCC(=O)c2ccc(C#N)cc2)nnc1-c1cccc(C)c1 9328149 JWMAGQSQJDTKPW-UHFFFAOYSA-N 374.469 4.286 30 40 FIEB N#Cc1ccccc1OCC(=O)N(CCc1ccccc1)Cc1ccccc1 12776501 JSISIGGLKCIXPN-UHFFFAOYSA-N 370.452 4.209 30 40 FIEB Cc1ccccc1CN1C(=O)CS/C1=N\N=C\c1ccc(Cl)cc1 13564448 VVTOLQORACCKGK-MQIUFUGCSA-N 357.866 4.114 30 40 FIEB COc1ccc([C@@H](C)/N=C/c2cc(Br)ccc2O)cc1OC 57411962 VQTHZYYGRAJUFY-VURRPDKYSA-N 364.239 4.352 30 40 FIEB COc1ccc2c(c1)OCc1sc(/N=C/c3ccc4c(c3)OCO4)nc1-2 408722565 KQCJZVWNCRYSPZ-DNTJNYDQSA-N 366.398 4.190 30 40 FIEB Oc1nc(=N/N=C/c2ccccc2Cl)n(-c2ccccc2)c2ccccc12 408733674 ZJAIIHUROUCDNM-OEAKJJBVSA-N 374.831 4.319 30 40 FIEB N#Cc1c(CSc2ccccc2N)cc(=O)n2c1sc1ccccc12 3300922 RZUBIIYWGPQVSI-UHFFFAOYSA-N 363.467 4.260 30 40 FIEB C=CCOc1ccc(CN(C)C(=O)c2cccc(NC(=O)OCC)c2)cc1 8023659 BQGKZQDQGQRPHZ-UHFFFAOYSA-N 368.433 4.092 30 40 FIEB CCSc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C1=C(C[C@@H](C)CC1=O)N2 14165109 CWSDFBWQPZHYFU-HWPZZCPQSA-N 374.897 4.312 30 40 FIEB CCN(Cc1ccc(C#N)cc1F)C(=O)c1ccc(Br)cc1 40108420 AZTZUBUQQHIXSX-UHFFFAOYSA-N 361.214 4.122 30 40 FIEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccccc1F 102860064 PROGQNQPLFBVCZ-GHNGSUTGSA-N 353.393 4.048 30 40 FIEB C=CCOc1ccc(NC(=S)NCCCN2CCCC[C@@H]2CC)cc1 225583385 CHXQEMYRVLHPHY-SFHVURJKSA-N 361.555 4.192 30 40 FIEB Ic1cccc(/N=C\c2ccc(N3CCCC3)o2)c1 408856963 MAKGXVLEHXEHLR-BOPFTXTBSA-N 366.202 4.235 30 40 FIEB C=CCN1C(=O)N/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O 409136574 XMSCRAFIUWEDQZ-FOWTUZBSSA-N 356.466 4.066 30 40 FIEB COc1ccc(CNc2oc(COc3ccccc3Cl)nc2C#N)cc1 2383058 HPRUEAGFSKZOOY-UHFFFAOYSA-N 369.808 4.399 30 40 FIEB N#Cc1ccc(NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1 2639922 YMZDBQHIIKLIGV-OAQYLSRUSA-N 369.424 4.058 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(OC)c2)C[C@@H]1c1ccccc1C 4919271 VICFHKBVNXWMKS-IRLDBZIGSA-N 364.441 4.323 30 40 FIEB CCc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)S1 5551407 CJRCJAGFLYUOSH-WJDWOHSUSA-N 353.403 4.049 30 40 FIEB CCC[C@H]1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)c2C#N)C1 5952206 BUXWHIOIEROXSL-CFVMTHIKSA-N 372.490 4.130 30 40 FIEB COc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cn1 6610963 CYUFXRDAIPANQB-UHFFFAOYSA-N 361.426 4.365 30 40 FIEB C=CCn1c(S[C@H](C)C(=O)NC2CCCC2)nnc1C1CCCCC1 8394797 SCLMCQJRBMRFLU-CQSZACIVSA-N 362.543 4.051 30 40 FIEB Brc1ccc(-c2csc(N/N=C/c3ccccn3)n2)cc1 14257481 WUIGPJABAAOYDQ-GIJQJNRQSA-N 359.252 4.414 30 40 FIEB CC1=NN(c2ccccc2)C(=O)/C1=N\Nc1ccc(SC(F)F)cc1 15905887 QZGZYQLUQUEVJR-QNGOZBTKSA-N 360.389 4.192 30 40 FIEB CCC(CC)c1nc(C#N)c(N2CCN(c3cccc(Cl)c3)CC2)o1 16741540 JAEHDTAFDLAFMB-UHFFFAOYSA-N 358.873 4.430 30 40 FIEB Cc1cc(-c2cc(C)c(OC[C@@H]3CO3)c(C)c2)cc(C)c1OC[C@@H]1CO1 83406931 HRSLYNJTMYIRHM-PMACEKPBSA-N 354.446 4.142 30 40 FIEB C#CC[C@H](NC(=O)Nc1ccc(F)cc1Br)c1ccccc1 89261529 UBEIKDGFSRBMNP-HNNXBMFYSA-N 361.214 4.474 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccs2)C[C@@H]1c1ccc(OC)cc1 2198074 AUJXMNWHWIFADL-APWZRJJASA-N 356.443 4.076 30 40 FIEB Cc1cc(Oc2cc(C#N)c(C#N)cc2N2CCOCC2)ccc1Cl 4457660 AIXYFJPQKYFONV-UHFFFAOYSA-N 353.809 4.021 30 40 FIEB C=CCOc1c(Br)cc(CNc2nccs2)cc1OC 4670810 SGSKHERVPKYTCD-UHFFFAOYSA-N 355.257 4.091 30 40 FIEB C=CCN1C[C@@H](c2nc3ccccc3n2Cc2cccc(Cl)c2)CC1=O 4910319 DRZYTDSZSHVMBD-INIZCTEOSA-N 365.864 4.240 30 40 FIEB COc1ccc(N/C=C/C(=O)c2ccc(Br)cc2)cc1OC 5578880 DTBUGEQIDMRDPR-MDZDMXLPSA-N 362.223 4.275 30 40 FIEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc2ccccc2c1 6460852 BQHSKAKKWVCDRD-UHFFFAOYSA-N 364.788 4.160 30 40 FIEB Cn1c(SCCCC#N)nc2scc(-c3ccc(F)cc3)c2c1=O 7236003 JFUUSCXWWWHCOA-UHFFFAOYSA-N 359.451 4.197 30 40 FIEB COc1ccc(OC)c(/C=C2\S/C(=N/c3ccc(C)c(C)c3)NC2=O)c1 16663074 LBJUBASKSLCJBU-WQRHYEAKSA-N 368.458 4.212 30 40 FIEB S=C(N/N=C/c1ccc(Cl)cc1Cl)Nc1ccc2c[nH]nc2c1 17004144 FSDPYDBMALYHBL-FBCYGCLPSA-N 364.261 4.190 30 40 FIEB Cc1ccc(CN2CCN(/N=C/C(Cl)=C\c3ccccc3)CC2)cc1 20190853 PNSAUKMYIUBZGE-OIYSJFPPSA-N 353.897 4.378 30 40 FIEB CCN(CC(=O)N[C@H](C)c1ccccc1Cl)[C@H](C)c1ccc(C#N)cc1 105725519 GRHPYHKBBVQXFQ-HZPDHXFCSA-N 369.896 4.472 30 40 FIEB CCn1c(C)cc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c1C 409405747 PCWMIINSOALNEY-UHFFFAOYSA-N 370.456 4.384 30 40 FIEB CCCCOc1cccc(-n2c(N)c(C#N)c3nc4ccccc4nc32)c1 2290040 UGNPKIIXYSCXMT-UHFFFAOYSA-N 357.417 4.206 30 40 FIEB O=C1CCCC2=C1[C@H](c1ccccc1)C=C1c3cc4c(cc3CCN12)OCO4 4090796 BNQZOWRSXRHBJK-SFHVURJKSA-N 371.436 4.419 30 40 FIEB biogenic CCOC(=O)[C@H]1C(=O)C=C(c2ccc(F)cc2)C[C@@H]1c1ccc(OC)cc1 4119627 GJTAIQIEXGLVBG-TZIWHRDSSA-N 368.404 4.154 30 40 FIEB C=CCn1c(SCc2ccc(C#N)cc2)nnc1-c1cccc(OC)c1 4296062 HTPINOQLCUKBNR-UHFFFAOYSA-N 362.458 4.304 30 40 FIEB CCOc1cc(/C=C2/S/C(=N/c3ccccc3)N(CC)C2=O)ccc1O 4664313 QPIWBRXOUHNIFE-KXNKKEQVSA-N 368.458 4.415 30 40 FIEB CCn1c(C)cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c1C 4739712 WOMTWVGWCQKWCG-VCHYOVAHSA-N 365.458 4.233 30 40 FIEB CC(C)[C@H]1C/C(=N\O)c2cc(-c3ccc(Br)cc3)nnc2C1 5189321 XJPKMJVMPZRUOJ-SCGHJSMSSA-N 360.255 4.303 30 40 FIEB N#Cc1ccc(N2CCN(Cc3sc4ccccc4c3Cl)CC2)nc1 13002384 GITWWAFXEWYHNK-UHFFFAOYSA-N 368.893 4.144 30 40 FIEB CCCCCCCCCCCC(=O)N[C@@H](C(=O)O)[C@@H](O)c1ccccc1 17433608 ITWIIXBTXPJQJZ-UXHICEINSA-N 363.498 4.210 30 40 FIEB N#Cc1ccccc1OCC(=O)N1c2ccccc2CCc2ccccc21 32735933 APYRCWSCSKCRHA-UHFFFAOYSA-N 354.409 4.401 30 40 FIEB O=S(O[C@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12)O[C@@H]1C[C@@H]2C[C@@H]1[C@H]1CCC[C@H]21 104117074 KJMQEAFQKVMQKB-XDYKMKJWSA-N 350.524 4.248 30 40 FIEB N#Cc1cc(N)ccc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 143809239 QDYSHYDVLOGWCC-UHFFFAOYSA-N 368.484 4.052 30 40 FIEB O=C(O/N=C(/Cc1ccc([N+](=O)[O-])cc1)c1ccccc1)c1ccccc1 408722585 LGWLFFVRWBVBCU-XDOYNYLZSA-N 360.369 4.399 30 40 FIEB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N1 902736 TYOIYWQRCUKCCS-LJQANCHMSA-N 371.452 4.381 30 40 FIEB CC1(C)CC(=O)C(C(=O)Cc2ccccc2)=C(NCCc2ccccc2)C1 102609000 KHRPWFZFQSHYQL-UHFFFAOYSA-N 361.485 4.274 30 40 FIEB O=C(/C(=N/N=C/c1ccc2c(c1)OCO2)c1ccccc1)c1ccccc1 12338995 OAZCDDWGLLBVMQ-LGLHSBMDSA-N 356.381 4.121 30 40 FIEB COc1ccccc1CN/N=C/c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1 20761806 QUWHCUCKHJZEIC-WSDLNYQXSA-N 369.352 4.126 30 40 FIEB COc1cccc(C(=O)/C=C/c2cc(Br)c(O)c(OC)c2)c1 5128917 IFUGHLCEIQHFKO-VOTSOKGWSA-N 363.207 4.068 30 40 FIEB C=CCOc1cccc(NC(=O)COc2cccc(C(F)(F)F)c2)c1 65749295 XVJLLYBAUBKHKH-UHFFFAOYSA-N 351.324 4.288 30 40 FIEB N#Cc1cc(C#N)c(SCC(=O)c2ccc(-c3ccccc3)cc2)nc1N 18240460 VXYLLGASCUHKAL-UHFFFAOYSA-N 370.437 4.049 30 40 FIEB C=CCSc1ccccc1C(=O)Nc1ccc(N2CCCC2=O)cc1 219816207 ZDUHPPZTUCWEMP-UHFFFAOYSA-N 352.459 4.344 30 40 FIEB Cc1cc([N+](=O)[O-])ccc1/N=C/c1ccccc1I 408550672 IVGPMHARHLTJBS-CXUHLZMHSA-N 366.158 4.258 30 40 FIEB O=C(NC1(C#Cc2cncc3ccccc23)CCCCC1)c1ccncc1 12337479 GYDZHSQOHBCRKY-UHFFFAOYSA-N 355.441 4.114 30 40 FIEB CC(C)(C)c1ccc(/C=N\N=C2/NC(=O)[C@H](c3ccccc3)S2)cc1 13547950 IPNOTBKLIUYSCI-WBRURWICSA-N 351.475 4.278 30 40 FIEB C[C@@](O)(C#Cc1ccccc1)c1ccc([C@@](C)(O)C#Cc2ccccc2)cc1 13658449 JJWICWWJUHELCN-WMPKNSHKSA-N 366.460 4.205 30 40 FIEB CCOc1ccc2sc(/N=C/c3cc([N+](=O)[O-])cc(OC)c3O)nc2c1 16693065 GRDIIPSRMPXGMP-GIJQJNRQSA-N 373.390 4.068 30 40 FIEB C#CCOc1cccc(CN2CCc3[nH]c4ccc(OCC)cc4c3C2)c1 19519901 CCCOJGVHAAGXMF-UHFFFAOYSA-N 360.457 4.137 30 40 FIEB COc1ccc(/C=N\c2ccc(I)cc2)cc1OC 2162170 SFKGBUCNJMWUOX-YVLHZVERSA-N 367.186 4.059 30 40 FIEB C=CC(=O)N1C/C(=C/c2ccc(F)cc2)C(=O)/C(=C/c2ccc(F)cc2)C1 1651131 JTMAQMMHQYJZRV-MJZABRMRSA-N 365.379 4.029 30 40 FIEB O=C(c1ccc(Cl)cc1)[C@@H]1O[C@@]12C(=O)Nc1c(Cl)cc(Cl)cc12 1624434 PDLFTPBJXAKBQW-GOEBONIOSA-N 368.603 4.076 30 40 FIEB N#C[C@@H](C(=O)c1c(F)c(F)c(F)c(F)c1F)c1cc2ccccc2cn1 2373052 DHEUACRQWMDONW-SNVBAGLBSA-N 362.257 4.420 30 40 FIEB COCCCNc1oc(COc2ccc(-c3ccccc3)cc2)nc1C#N 5156474 FXNQWBIEXXCKFE-UHFFFAOYSA-N 363.417 4.241 30 40 FIEB CC(=O)/N=C1\NC(=O)/C(=C/c2ccc(-c3cccc(Cl)c3C)o2)S1 6008389 MDFKHLLQFYEUCE-NVNXTCNLSA-N 360.822 4.015 30 40 FIEB Cc1ccc(-c2c[n+](CC(=O)Nc3c(C)cc(C)cc3C)c3n2CCC3)cc1 6923698 VZGWZCDGYMUFNW-UHFFFAOYSA-O 374.508 4.261 30 40 FIEB COc1ccc(Br)c(C(=O)Nc2ccc(C#N)c(Cl)c2)c1 14686029 KXTVWFSXADPHAY-UHFFFAOYSA-N 365.614 4.235 30 40 FIEB O=C(/C=C/c1cccc(F)c1)c1cccc(I)c1 16740911 UQYHOIZGPQJFEA-BQYQJAHWSA-N 352.146 4.326 30 40 FIEB COc1ccc([C@@H]2C[C@@]2(C#N)c2nc3ccccc3[nH]2)cc1OC(F)F 67172437 BFTABJNOIXSNJQ-BUXKBTBVSA-N 355.344 4.122 30 40 FIEB N#Cc1ccc(N2CC[C@@H](SC3=Nc4ccccc4CS3)C2=O)cc1 70036789 OQNIFNHRGAJYIB-QGZVFWFLSA-N 365.483 4.331 30 40 FIEB Oc1ccc(Br)cc1/C=N/c1cc(Br)ccc1O 101057839 LQWFAVRIYRXUMP-FRKPEAEDSA-N 371.028 4.373 30 40 FIEB CCCOc1ccc(C(=O)NC(=S)Nc2sc(C)c(C)c2C#N)cc1 408626390 GXMZQFJJKJYCQC-UHFFFAOYSA-N 373.503 4.152 30 40 FIEB CCCN1C(=O)[C@H](Cc2ccccc2)S/C1=N/c1ccc(OC)cc1 409139884 GFYRYXDRJVCIDG-MKSIGINJSA-N 354.475 4.279 30 40 FIEB C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCC(c2c[nH]c3ccccc23)CC1 684801856 CIDUVORLVBWFIA-DYESRHJHSA-N 367.493 4.038 30 40 FIEB COc1cccc(OC)c1C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 1959640 MKLFANOLHHNWRW-NSHDSACASA-N 356.447 4.014 30 40 FIEB CCOC(OCC)c1ccc(C(=O)[C@@H]2O[C@H]2c2ccc(Cl)cc2)o1 3168016 OLQGSWFGXHFFAW-IRXDYDNUSA-N 350.798 4.327 30 40 FIEB N#Cc1cccc(NC(=O)CSc2nc(-c3ccccc3)cs2)c1 5971966 BYUBFRSLAZPNEA-UHFFFAOYSA-N 351.456 4.413 30 40 FIEB CN(CC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H]1CCCc2ccccc21 7987608 ZEOPKMVIUCUTJJ-GOSISDBHSA-N 365.502 4.056 30 40 FIEB C=CCNc1nnc(SCC(=O)Nc2ccc3ccccc3c2)s1 8851151 METWCJYBGYXJAO-UHFFFAOYSA-N 356.476 4.020 30 40 FIEB COc1cccc(NC(=O)CNc2cccc(C#Cc3cccs3)c2)c1 29940930 ANIBSRQTTXEDQG-UHFFFAOYSA-N 362.454 4.207 30 40 FIEB CCN1c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cn3)cc2C(C)=CC1(C)C 208509402 DLJINFYQHGVWBB-WSDLNYQXSA-N 365.437 4.458 30 40 FIEB Cc1ccc(N/N=C2\C(=O)N(C3CSC3)c3ccc(C(C)C)cc32)cc1 223727537 IYSICAXUYOPCMY-ATJXCDBQSA-N 365.502 4.397 30 40 FIEB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/c2ccc(C(=O)O)cc2)o1 408911478 NMHMJSBQRHSHRR-RGVLZGJSSA-N 366.329 4.312 30 40 FIEB C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(F)cc3)c2C)C1=O 2127640 YLQWTNKRQFWWPZ-GZTJUZNOSA-N 356.422 4.456 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2cccs2)C[C@H]1c1ccccc1OCC 4918877 MYJCZPVVTISDHE-OXJNMPFZSA-N 370.470 4.466 30 40 FIEB CN(Cc1ccc(-c2ccccc2C#N)cc1)C[C@@H]1COc2ccccc2O1 12861507 JEQGAWBUOWBXMC-OAQYLSRUSA-N 370.452 4.497 30 40 FIEB C[C@H](c1ccc(Cl)cc1Cl)N(C)S(=O)(=O)c1ccccc1C#N 28042979 APVGRGYLCZAUPH-LLVKDONJSA-N 369.273 4.247 30 40 FIEB C=CCN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(OCC)cc1 224593145 NUFGDRCAAVHYRG-UHFFFAOYSA-N 365.882 4.428 30 40 FIEB C/N=C1/S/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1C 408850277 JYXLHQIVBRTQOC-NXCZOFCGSA-N 361.470 4.222 30 40 FIEB Cc1cc(/C=N\Nc2ncccc2[N+](=O)[O-])c(C)n1-c1ccc(Cl)cc1 409074275 STYWPDBIXLVORQ-NHDPSOOVSA-N 369.812 4.497 30 40 FIEB COC(=O)c1cccc(/N=C\c2ccc(N3CCCCC3)cc2OC)c1 409248013 JLROQXJZHUCRDF-JCMHNJIXSA-N 352.434 4.223 30 40 FIEB Cc1ccnc(-n2c(C)cc(/C=N/c3ccc(N4CCOCC4)cc3)c2C)c1 659958 KDMZXBFRJDOJIR-PCLIKHOPSA-N 374.488 4.385 30 40 FIEB Cc1cccc(NC(=O)C(=O)[C@H](C#N)c2c(Cl)cccc2Cl)c1C 1613716 OYNBCJDPQWTTKR-GFCCVEGCSA-N 361.228 4.425 30 40 FIEB CCN/C(S)=N/N=C/c1cccc(OCc2c(F)cccc2Cl)c1 1969051 HXRJELCRGDMZQB-UFFVCSGVSA-N 365.861 4.287 30 40 FIEB CCN(CC)c1ccc(-c2nnc(SCC#N)n2Cc2ccco2)cc1 5688943 YRKUQUBBNGDVCD-UHFFFAOYSA-N 367.478 4.048 30 40 FIEB CC(=O)Nc1ccc(CNC(=O)c2ccccc2-c2ccccc2C#N)cc1 21203156 PJFTWNFGAITJJF-UHFFFAOYSA-N 369.424 4.114 30 40 FIEB N#CCSCC(=O)Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1 33163576 JFZJJDBKIUNJDN-UHFFFAOYSA-N 372.400 4.294 30 40 FIEB COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)/C(=C/c2cccs2)C1=O 100377451 XLTBOQOGUBSVSB-GZTJUZNOSA-N 353.443 4.242 30 40 FIEB C=CCN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(OC)c(F)c1 225106785 BDFIZHIEQAIKHO-UHFFFAOYSA-N 369.845 4.177 30 40 FIEB C(=N/n1cnnc1)\c1cn(Cc2ccc3ccccc3c2)c2ccccc12 7099552 JMCWVJWGMWYMBK-BRJLIKDPSA-N 351.413 4.317 30 40 FIEB Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3ccc(C#N)cc3)c12 12923009 JOSDWRXNSYYQCD-UHFFFAOYSA-N 354.369 4.322 30 40 FIEB Cc1ccccc1N/C(=N\S(=O)(=O)c1ccccc1)c1ccc(F)cc1 13597810 HUMZPJRARIUFSI-UHFFFAOYSA-N 368.433 4.382 30 40 FIEB CC(C)(C)c1ccc(-c2n[nH]c(=S)n2/N=C\c2ccc(O)cc2)cc1 28352194 FXRMEWQEXBZFLT-NDENLUEZSA-N 352.463 4.493 30 40 FIEB CC(C)(C)c1cc(NC(=O)c2cccc(C#N)c2)n(Cc2ccccc2)n1 32753656 MALDAWCGOOMVAN-UHFFFAOYSA-N 358.445 4.353 30 40 FIEB C[C@H]1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2ccccc2)C1=O 33734316 YQZCRTKHBZHVCY-CJARSDEPSA-N 357.866 4.194 30 40 FIEB CCS(=O)(=O)c1cnc(S)c(C#N)c1-c1ccc(Cl)cc1Cl 96510098 GPSWNMWSGOCYNR-UHFFFAOYSA-N 373.286 4.009 30 40 FIEB CC1=CC(=O)[C@@H](C(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)s2)C(=O)O1 101006957 DMXONLDRYUZPGO-JHTBKMLMSA-N 372.829 4.297 30 40 FIEB O=C1C[C@H](c2ccc(F)cc2F)C2=C(C[C@@H](c3cccs3)CC2=O)N1 6820433 FZHDZRCFOVCQPU-ZWNOBZJWSA-N 359.397 4.031 30 40 FIEB CCn1c(SCC(=O)c2ccc(C#N)cc2)nnc1-c1cccc(C)c1 9328148 FVPNORJIVKWUSG-UHFFFAOYSA-N 362.458 4.120 30 40 FIEB C#CCOc1ccc(CNc2ccc(Br)cc2)cc1OCC 2140643 PVJTXTOOSLXJIB-UHFFFAOYSA-N 360.251 4.472 30 40 FIEB CC(=O)c1ccccc1NC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1 3326412 PSIBZIPJXVPIKF-UHFFFAOYSA-N 370.408 4.445 30 40 FIEB CCC[C@@H](C)NC(=O)CSc1cc(C)c(C#N)c2nc3ccccc3n12 4485066 OXDAQNQYAYQMBB-CQSZACIVSA-N 366.490 4.065 30 40 FIEB COc1ccc2nc(Cl)c(/C=N/Nc3ccc(C(=O)O)cc3)cc2c1 5560873 HOAHFSKOADITLI-KEBDBYFISA-N 355.781 4.041 30 40 FIEB N#Cc1ccc(COc2cccc(-c3nnc4n3CCCCC4)c2)c(F)c1 12750538 NLAVVWWNBVAMOD-UHFFFAOYSA-N 362.408 4.261 30 40 FIEB Cc1nn(C)c2c1C1=C(C(=O)CC(C)(C)C1)[C@@H](c1ccc(N(C)C)cc1)N2 16266228 OIXUOSLSVHDORO-HXUWFJFHSA-N 364.493 4.104 30 40 FIEB COc1ccccc1CN/N=C/c1ccccc1OCc1ccccc1C#N 20762710 PXQCZLVFJDAREE-WGOQTCKBSA-N 371.440 4.270 30 40 FIEB Cn1cccc1/C=C1\S/C(=N/c2ccc(Cl)c(Cl)c2)NC1=O 35647130 TZPYNOBVLFDQQW-JYRVWZFOSA-N 352.246 4.224 30 40 FIEB C=CCn1c(SCc2ccccc2Cl)nnc1-c1cnn(CC)c1 36631374 FJTGELPAKYKWKA-UHFFFAOYSA-N 359.886 4.293 30 40 FIEB C=CCn1c(SCC(=O)Nc2ccccc2F)nnc1C1CCCCC1 58120334 ADJSTPNYEZHIBY-UHFFFAOYSA-N 374.485 4.382 30 40 FIEB COc1cccc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1 101474585 FYPIOWKTYCWWOL-UHFFFAOYSA-N 354.168 4.346 30 40 FIEB CC1(C)[C@H]2CC[C@]1(C)C(=O)/C2=C\C(=O)OC[C@H]1C(=O)[C@@]2(C)CC[C@H]1C2(C)C 245239181 GFUKRGMWZLCMQM-KNNGUGMASA-N 372.505 4.123 30 40 FIEB Cc1cccc(NC(=O)COc2c(Cl)cc(/C=N\O)cc2Cl)c1C 409257128 QVVWJJJBTSFQHI-ZBKNUEDVSA-N 367.232 4.436 30 40 FIEB C=CCn1c(SCc2ccc(OC)cc2)nnc1-c1cccc(OC)c1 728763 HZCVKLPUAURMHU-UHFFFAOYSA-N 367.474 4.441 30 40 FIEB O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccco1)c1cccs1 1050102 KWEAFEKYWITKJC-MRXNPFEDSA-N 351.383 4.124 30 40 FIEB Oc1ccc(I)cc1/C=N/c1cc(Cl)ccc1O 1434349 GQVDOAXAMBDRTF-FRKPEAEDSA-N 373.577 4.106 30 40 FIEB Cc1cc(N(CCC#N)CCC#N)ccc1/C=C/C(=O)Nc1ccccc1 1626588 DMYHLWRWMVTAIA-ZRDIBKRKSA-N 358.445 4.281 30 40 FIEB COc1ccc(/C=N/OCc2cccc(Br)c2)cc1OC 1878650 ROWKLSJDLJYCLF-VCHYOVAHSA-N 350.212 4.017 30 40 FIEB Cc1ccc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1 3417357 KCAQXQALXBRBLO-UHFFFAOYSA-N 366.471 4.263 30 40 FIEB Cc1cc(C)cc(/N=C2\C(=O)N(CN3CCC[C@@H](C)C3)c3ccccc32)c1 4619975 DJRBOYMEIRDDGQ-RNKPHZFSSA-N 361.489 4.460 30 40 FIEB C[C@H]1S/C(=N/N=C/c2ccc(Cl)cc2)N(Cc2ccccc2)C1=O 4937986 YQZCRTKHBZHVCY-BDVIWPHNSA-N 357.866 4.194 30 40 FIEB O=C(/C(=C/c1cccc(F)c1)c1nc2ccccc2[nH]c1=O)c1ccccc1 7135258 VAINVAPCANPOKH-NBVRZTHBSA-N 370.383 4.486 30 40 FIEB CC1(C)CC(=O)[C@H](C[C@H]2COC(C)(C)C/C2=N\Nc2ccccc2)CO1 12861436 HPBUPLSCXWKXPB-QWCNIOESSA-N 358.482 4.044 30 40 FIEB biogenic C[C@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1cccc(Oc2ccccc2)c1 14607502 LRSNRDALZHUQSJ-SZNDQCEHSA-N 372.428 4.338 30 40 FIEB Cc1ccc(C(=O)/C=C/c2cn(CN3CCN(C)CC3)c3ccccc23)cc1 20533392 MYEKQJSGTSNJHK-VAWYXSNFSA-N 373.500 4.051 30 40 FIEB C=CCN(c1ccccc1C)S(=O)(=O)c1ccc(OC)c(Cl)c1 224946275 RCJHIHWLLWDIJS-UHFFFAOYSA-N 351.855 4.038 30 40 FIEB N#C[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 225666367 YCPCKJAXKFKTQH-BZUAXINKSA-N 352.242 4.073 30 40 FIEB O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccc(F)cc2F)c1O 409094266 DBLMSVJVTADTHX-UBKPWBPPSA-N 357.110 4.092 30 40 FIEB COc1ccccc1[C@H]1CCCC[C@H]1OS(=O)(=O)c1ccc(C)cc1 1706531 SCPHFSRGKCEXLQ-UYAOXDASSA-N 360.475 4.435 30 40 FIEB C[C@@H](/N=C/c1ccc(N(C)C)cc1)[C@@H](C)/N=C/c1ccc(N(C)C)cc1 4819541 CBTYNBOPINAJTN-GEEZNIDSSA-N 350.510 4.134 30 40 FIEB Cc1ccccc1[C@@H]1C2=C(C[C@@H](c3ccccc3)CC2=O)Nc2ncnn21 5271382 RFAGPWSEAWJPGS-IIBYNOLFSA-N 356.429 4.002 30 40 FIEB O=C(/C(=N/N=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccccc1 7946925 YBIOGXAMWIPUSL-LNEICIBQSA-N 357.369 4.301 30 40 FIEB Cc1cccc(-n2c(C)nnc2SCc2cn3ccccc3c2C#N)c1 8720622 CNGFIIQTSMKOSV-UHFFFAOYSA-N 359.458 4.301 30 40 FIEB N#Cc1ccc(NC(=O)CCCc2nc(-c3ccccc3)no2)cc1Cl 9951885 YYUDFXKLARZUEU-UHFFFAOYSA-N 366.808 4.223 30 40 FIEB CSc1nc(C2CC2)cc(C(=O)NCc2ccccc2Cl)c1C#N 14136702 UEPCJADQAVPNIF-UHFFFAOYSA-N 357.866 4.136 30 40 FIEB S=C(N/N=C\c1ccc(Cl)s1)NC12CC3CC(CC(C3)C1)C2 16919481 XFECJSASFXQJJY-NVMNQCDNSA-N 353.944 4.168 30 40 FIEB COc1cc2c(cc1OC)[C@H](c1ccccc1OC)C1=C(CCCC1=O)N2 18197178 FBUAFYMQSNAHGH-NRFANRHFSA-N 365.429 4.277 30 40 FIEB Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3ccc(C#N)cc3)c12 40128405 VCXHIICAOPIQRK-UHFFFAOYSA-N 373.460 4.496 30 40 FIEB CSc1nc(C2CC2)cc(C(=O)NCC2(c3ccccc3)CC2)c1C#N 48290799 LLKJTGAFGYVMKF-UHFFFAOYSA-N 363.486 4.014 30 40 FIEB CC(C)=C[C@@H]1[C@H](C(=O)[C@@H](C#N)c2nc(O)c3ccc(Cl)cc3n2)C1(C)C 48848601 FETWSOLLTYUYNX-IIAWOOMASA-N 369.852 4.403 30 40 FIEB CCCN1C(=O)/C(=C\c2ccc(O)cc2O)S/C1=N\c1ccccc1 408906985 FQDSLVVKXPMJDM-KRICTJEJSA-N 354.431 4.112 30 40 FIEB CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2ccc(C#N)cc2)CC1=O 3429780 NZOFZPHLIYOCEJ-WBVHZDCISA-N 361.445 4.063 30 40 FIEB CC1(C)C(=O)O[C@@H](/C(=N/Nc2ccccc2)c2ccccc2)C(C)(C)C1=O 4451148 UPIUNRYIOKXVJP-KHCKMINHSA-N 364.445 4.050 30 40 FIEB C#CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)C1=O 4551726 NRJIVVGRZXSWPS-CPNJWEJPSA-N 363.438 4.244 30 40 FIEB COc1cccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)c1OC(C)C 5129797 IIJNQFFFCHXCQB-VQHVLOKHSA-N 354.402 4.150 30 40 FIEB FC(F)Oc1ccc(/C=N/Nc2nc3ccccc3o2)c(OC(F)F)c1 5504901 ZKKCWMVUMUIPCN-ODCIPOBUSA-N 369.274 4.477 30 40 FIEB C=CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(F)cc1 6097042 JNQMDCQRNGLDRP-UHFFFAOYSA-N 368.437 4.001 30 40 FIEB CCCOC(=O)c1ccc(/N=C/c2cc([N+](=O)[O-])cc(OCC)c2O)cc1 6779004 OVKOPZHWXHPFFH-UDWIEESQSA-N 372.377 4.017 30 40 FIEB C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1ccc(OC)c(OC)c1 8394188 GJEKGBDOQNTTJC-UHFFFAOYSA-N 365.882 4.176 30 40 FIEB COc1ccc2c(c1)O[C@@H](C)C/C2=N/OC(=O)C12CC3CC(CC(C3)C1)C2 10001741 YAIPNGCBLTUSOG-BQAZNJQDSA-N 369.461 4.330 30 40 FIEB CC(C)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(C#N)cc2)cc1 14188801 GULTVIZMQBPGQI-UHFFFAOYSA-N 354.475 4.035 30 40 FIEB COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OC 16404789 MJBPJOXDZSOZKD-DHZHZOJOSA-N 352.430 4.487 30 40 FIEB N#CCCn1c(SCc2nnc(-c3cccs3)o2)nc2ccccc21 32957487 XAEOKYNRXUHRRZ-UHFFFAOYSA-N 367.459 4.354 30 40 FIEB O=S(=O)(/N=C(\O)CCCC1CCCCC1)c1cccc2nsnc12 71808809 LQVOJDCVGLVQMS-UHFFFAOYSA-N 367.496 4.087 30 40 FIEB CC(=O)N1N=C(c2cccc(C#N)c2)C[C@H]1c1cc2ccccc2nc1Cl 95116609 NOXHXKHVVMBFOM-FQEVSTJZSA-N 374.831 4.457 30 40 FIEB COc1ccc(/N=C\c2ccc(OCC(=O)NC3CCCCC3)cc2)cc1 100349894 BZPLCRJNUYXGJC-HAHDFKILSA-N 366.461 4.274 30 40 FIEB COC(=O)c1ccc(C)c(/N=C/c2cccn2-c2cccc(C(=O)O)c2)c1 409095750 IPUCLSQEELOKKD-LPYMAVHISA-N 362.385 4.021 30 40 FIEB N#Cc1ccc(CNC(=O)N2CCC[C@@H](c3ccc(F)c(F)c3)C2)cc1F 599071583 ZAWQTSBMYUXZGT-MRXNPFEDSA-N 373.378 4.065 30 40 FIEB Oc1cccc(/C=N\n2c(S)nnc2-c2ccc(Cl)cc2Cl)c1 1184615 BKKCNGXHXBGRNZ-LSCVHKIXSA-N 365.245 4.128 30 40 FIEB Clc1ccc(/C=N/Nc2nn3cnnc3c3ccccc23)c(Cl)c1 4897656 IYRUBNVBYDYQCW-UFWORHAWSA-N 357.204 4.030 30 40 FIEB N#C[C@@H](C1=NC(=O)CS1)[C@@H](CC(=O)c1cccs1)c1ccc(F)cc1 5341148 NJPPKTXZBNARBI-UONOGXRCSA-N 372.446 4.055 30 40 FIEB CC(=O)c1ccc(C[C@@H]2S/C(=N/c3ccc(Cl)cc3)NC2=O)cc1 5830388 WRGNCISAXDCEQY-INIZCTEOSA-N 358.850 4.004 30 40 FIEB N#Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)cc1 6161320 HUSPCAWTHFQIQJ-NRFANRHFSA-N 366.424 4.148 30 40 FIEB CCOc1cc(/C=C/C(=O)c2cnn(CC)c2C)ccc1OC(F)F 6490050 GNAROLXOJMNULC-SOFGYWHQSA-N 350.365 4.108 30 40 FIEB C=CCn1c(SCC(=O)c2ccc(C#N)cc2)nnc1-c1ccccc1C 9328157 BPCKRJYETGTWDF-UHFFFAOYSA-N 374.469 4.286 30 40 FIEB CC1(C)CC(=O)C=C(N[C@H]2CCCC[C@H]2NC2=CC(=O)CC(C)(C)C2)C1 22774405 ADMFYXMNRHBGPX-BGYRXZFFSA-N 358.526 4.023 30 40 FIEB Cc1ccc(-n2nc(C)c(CC(=O)O[C@@H](C#N)C(C)C)c2C)cc1Cl 72280423 OOAXSVLPSQGHCI-SFHVURJKSA-N 359.857 4.085 30 40 FIEB C=CCOc1ccc(C(=O)N2CCSC[C@@H]2c2ccc(C)o2)cc1OC 78934837 YIWUOLTZIHLINI-MRXNPFEDSA-N 373.474 4.092 30 40 FIEB O=[N+]([O-])c1ccc(O)c(/C=N\Nc2c3ccccc3nc3ccccc23)c1 104093211 FHLGDQDRBAZTID-MTJSOVHGSA-N 358.357 4.448 30 40 FIEB CCNC(=S)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1 107854324 APYDNIANRZUHER-OEAKJJBVSA-N 363.486 4.237 30 40 FIEB O=C(NCc1ccco1)c1c(/N=C\c2cccnc2)sc2c1CCCC2 408856499 KBPGBRQMLQIGOD-FMCGGJTJSA-N 365.458 4.296 30 40 FIEB CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(OC)c(C)c3)S2)cc1 408950473 FGWCPRVFBPUILD-LDADJPATSA-N 368.458 4.294 30 40 FIEB O=C1CCCC(OC(=O)c2ccco2)=C1Sc1ccccc1[N+](=O)[O-] 3177584 DRQFTPSJMRGVNN-UHFFFAOYSA-N 359.359 4.102 30 40 FIEB O=C(NC1=C(Cl)C(=O)c2ccccc2C1=O)OC1CCCCCCC1 4050677 NQVIVQQPXBSNAZ-UHFFFAOYSA-N 361.825 4.355 30 40 FIEB COc1cc(OC)c(OC)cc1/C=N/Nc1ccnc2cc(Cl)ccc12 5163812 ZLJHPZGDBAQFMG-SSDVNMTOSA-N 371.824 4.360 30 40 FIEB Cc1ccc(-n2c(S[C@@H](C)C#N)nc3sc4c(c3c2=O)CCC4)cc1 6842129 CGMUARQOZVYMHV-LBPRGKRZSA-N 367.499 4.249 30 40 FIEB Cc1ccc(/C=C2\Oc3c(ccc(O)c3CN3C[C@@H](C)C[C@H](C)C3)C2=O)o1 13656046 YMUCZYAOTJBNPJ-ULLJOTHFSA-N 367.445 4.388 30 40 FIEB biogenic CC[C@@]1(C)Cc2ccccc2-c2nc(N/N=C/c3ccccc3)[nH]c(=O)c21 26895791 RDEQVHDBEIGSQQ-DHNIJCFSSA-N 358.445 4.107 30 40 FIEB COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)c(OC)c1OC 32639097 QCXNMGWLBKMSIU-ZRDIBKRKSA-N 352.430 4.487 30 40 FIEB CCNC(=S)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C 33635462 XPXJWAQJJQWZLA-AWQFTUOYSA-N 369.321 4.219 30 40 FIEB C=CCOc1ccc(/C=N/n2c(-c3ccccc3)n[nH]c2=S)cc1OC 36289690 ORGHCBYAQUEINY-DEDYPNTBSA-N 366.446 4.063 30 40 FIEB Cc1ccc([C@@H](NCC(=O)Nc2cccc(C#N)c2)c2ccccc2)cc1 57778791 VQYSPAMJZSUKKA-QHCPKHFHSA-N 355.441 4.184 30 40 FIEB C=CCOc1ccc(C(=O)Nc2ccc(-c3nc(C4CC4)n[nH]3)cc2)cc1 58218251 NKIBRLBJXFGJJM-UHFFFAOYSA-N 360.417 4.166 30 40 FIEB Cc1cc(C)c(C/C(=N/OCC(=O)O)c2cc3ccccc3o2)c(C)c1 68603852 OFPHQYMDGAGVOH-PYCFMQQDSA-N 351.402 4.406 30 40 FIEB O=C(/C=C/c1cc(F)ccc1F)c1ccc(N2CCOCC2)cc1Cl 89769759 SODRJSSRNNTLOC-LZCJLJQNSA-N 363.791 4.351 30 40 FIEB CCCC[C@@H](ON=C(C)C)C(=O)N[C@H]1CCSc2c(F)cccc21 96004298 CQNNZBMWIGPGKQ-JKSUJKDBSA-N 352.475 4.450 30 40 FIEB C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc2ccccc2c1 225051403 BMTPYXGGGAPXDB-UHFFFAOYSA-N 353.443 4.230 30 40 FIEB C=C1C(=C)[C@@H]2C=C[C@H]1[C@@H]1[C@@H]2[C@H]2C(c3ccccn3)=NN=C(c3ccccn3)[C@H]12 104133245 ZOZSHDLTHHXEOG-BCQQFQMVSA-N 364.452 4.090 30 40 FIEB CCCOc1ccc(/C=N/n2cnnc2SCc2ccccc2)cc1 1780583 RMSSEGWYXLAXAX-FYJGNVAPSA-N 352.463 4.241 30 40 FIEB Fc1ccc(-c2ccc(/C=N/NC(=S)NCc3ccccc3)o2)c(F)c1 408602424 NLJJSFLMYUBFIQ-FSJBWODESA-N 371.412 4.223 30 40 FIEB CCOc1cc2c(cc1/C=C/C(=O)c1ccc(OC)c(OC)c1)O[C@H](C)C2 7744532 ZSOMVXQCTZHIIV-IZPAUZPXSA-N 368.429 4.322 30 40 FIEB CC(=O)/C(=N/Nc1ccc(Br)cc1)N1CCCc2ccccc21 13635903 GNWLBRSNKKMSHR-UZYVYHOESA-N 372.266 4.216 30 40 FIEB C#CCOc1c(Cl)cc(/C=C2\C(=O)N(CC)c3ccccc32)cc1OC 409121806 YALVEQHWZLJFEJ-WJDWOHSUSA-N 367.832 4.268 30 40 FIEB CCCC/C=N/N=C1/NC(=O)[C@@H](Cc2ccc(SC(F)F)cc2)S1 5501795 MRIQOVNUSJVFTK-VDLQQMNMSA-N 371.478 4.307 30 40 FIEB C/C(CC12CC3CC(CC(C3)C1)C2)=N\Nc1nc2ccccc2c(=O)n1C 19335633 YIYVJCQMANAMAK-ZVHZXABRSA-N 364.493 4.328 30 40 FIEB CC1=C(C(=O)OC(C)C)[C@H](c2cccs2)C2=C(CC(C)(C)CC2=O)N1 19867027 CZVPQXRYNFNUDE-SFHVURJKSA-N 359.491 4.304 30 40 FIEB N#Cc1nc(-c2cccnc2)oc1NC[C@@H](c1ccccc1)N1CCCCC1 35672590 QVESBOVJCXVKIK-FQEVSTJZSA-N 373.460 4.247 30 40 FIEB COc1ccc(/N=C/c2cc(Br)c(OC)c(OC)c2)cc1 8116379 IZUSMEXITRQAPW-VCHYOVAHSA-N 350.212 4.226 30 40 FIEB C(=N/Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1)\c1ccncc1 3902388 KCRKEOFQLWEWDP-HZHRSRAPSA-N 352.401 4.047 30 40 FIEB Cn1c2ccccc2c2nnc(N/N=C/c3ccc(C(C)(C)C)cc3)nc21 4619091 ZLJSKFYUYJXWDB-LPYMAVHISA-N 358.449 4.260 30 40 FIEB COc1ccc(C/C(N)=N/OC(=O)c2ccc(-c3ccccc3)cc2)cc1 4682057 DJWREDLGBDFYBX-UHFFFAOYSA-N 360.413 4.034 30 40 FIEB C=CCn1c(S[C@H](C(=O)NC2CC2)c2ccccc2)nc2ccccc21 6933345 AZOHUFGZDCUADJ-IBGZPJMESA-N 363.486 4.334 30 40 FIEB N#Cc1ccccc1OCC(=O)N1CCc2sccc2[C@H]1c1ccccc1 8115214 ZUSMFLNPMOITOV-JOCHJYFZSA-N 374.465 4.173 30 40 FIEB C=CCNc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(C)cc1 12419639 VJRFGIHBEAVSJO-UHFFFAOYSA-N 360.460 4.142 30 40 FIEB C[C@H]1C[C@@H](C)CN(C/C(O)=N/c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 12569489 OPQVSNMRRDLLPZ-BETUJISGSA-N 374.466 4.284 30 40 FIEB Cc1ccc(-c2csc(/C(C#N)=N\Nc3cccc([N+](=O)[O-])c3)n2)cc1 13408209 KTPPNYYNHWIFMW-JWGURIENSA-N 363.402 4.367 30 40 FIEB COc1cccc(/C=C2\C(=O)ON=C2C)c1OCc1ccccc1Cl 20059075 YCELMJMQPPOYBI-GDNBJRDFSA-N 357.793 4.244 30 40 FIEB CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)NC2=O)c(OCC)c1 20176132 FUIPKENMFFOOOL-PDGQHHTCSA-N 368.458 4.376 30 40 FIEB N#C[C@H](C(=O)c1csc(-c2ccco2)n1)c1ccc(C(F)(F)F)cn1 41552891 PZAOAJOZQHZUHF-JTQLQIEISA-N 363.320 4.307 30 40 FIEB C=CCc1ccc(O[C@H](C)Cc2cc(OC)c(OC)c(OC)c2)c(OC)c1 49181106 KKYNVNUZEODDKF-OAHLLOKOSA-N 372.461 4.460 30 40 FIEB biogenic,in-vitro COc1cc(/C=N/c2ccco2)ccc1OCc1cccc(C(=O)O)c1 59249829 CTLQNSZGSOZQMA-CIAFOILYSA-N 351.358 4.316 30 40 FIEB CCc1ccc2c(c1)/C(=N/Nc1cc(C)cc(C)c1)C(=O)N2C1CSC1 223725337 QZQGQPJBQFJKIY-ATJXCDBQSA-N 365.502 4.144 30 40 FIEB CCN(CC)c1ccc(/C=C2\SC(=Nc3ccc(OC)cc3)NC2=O)o1 408820436 XRQPSNKFUZOFJT-VBKFSLOCSA-N 371.462 4.026 30 40 FIEB COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1OC(C)C 408931311 JVBGQVWYPKTKGS-PXLXIMEGSA-N 354.450 4.070 30 40 FIEB C[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3ccc(F)cc3)c2C#N)C1 827131 GFKXPMURZARDMG-SNVBAGLBSA-N 373.478 4.010 30 40 FIEB C=CCn1c(SCCOc2ccccc2)nnc1-c1ccc(F)cc1 4736173 PXIDSMLEXWKUQG-UHFFFAOYSA-N 355.438 4.441 30 40 FIEB Cc1ccc(COc2ccccc2/C=N\Nc2ccc([N+](=O)[O-])cn2)cc1 4739130 DLZYWMNGQARSDC-UUYOSTAYSA-N 362.389 4.323 30 40 FIEB Cc1ccc(C#N)c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)n1 4746763 BNRVUKDAHPQFNY-UHFFFAOYSA-N 352.246 4.299 30 40 FIEB COc1ccc(C(=O)/C=C/c2ccc(OC(F)F)c(OC)c2)cc1OC 4834059 HIPKMSUWYSLFOX-QPJJXVBHSA-N 364.344 4.210 30 40 FIEB COc1cc(/C=N/N(Cc2ccccc2)c2ccccc2)cc(OC)c1O 4921525 LSXDCJRHTFIVKZ-HZHRSRAPSA-N 362.429 4.450 30 40 FIEB CC(C)(C)C1CCC2(CC1)O[C@@]2(C(N)=O)c1nc(-c2ccccc2)cs1 9419812 RNXJOVVLTAVHBK-UJWQOHNOSA-N 370.518 4.496 30 40 FIEB COc1ccc(I)c(/C=N/C2CCCCC2)c1C 17128002 CVCNAWUXFANGIJ-LICLKQGHSA-N 357.235 4.360 30 40 FIEB C=CCOc1ccc(NC(=S)N[C@H](C)COc2ccccc2OC)cc1 225787695 KMTQQKFPVCNKLV-OAHLLOKOSA-N 372.490 4.014 30 40 FIEB Cc1ccc(C(=O)NC(=S)Nc2sc(C)c(C)c2C#N)c(Cl)c1 408628703 WFMSACGJHGSKPN-UHFFFAOYSA-N 363.895 4.325 30 40 FIEB CSc1ccc(/C=N/n2cnc3c([nH]c4ccc(Cl)cc43)c2=O)cc1 2313665 YULLGCWJIGFGQT-ZVBGSRNCSA-N 368.849 4.135 30 40 FIEB CCn1c(COc2ccccc2)nnc1SCc1ccc(C#N)cc1 4296112 RNGHWMDYNNVLLB-UHFFFAOYSA-N 350.447 4.041 30 40 FIEB COc1cc(Cl)cc(/C=C2\S/C(=N\C(C)C)N(C(C)C)C2=O)c1O 4689036 ZACWBEONFANOJV-COTAJSOYSA-N 368.886 4.143 30 40 FIEB Cc1ccc(-c2cs/c(=N\N=C\c3ccc([N+](=O)[O-])cc3)[nH]2)c(C)c1 4957170 ZETWMJWPUHQEQD-VXLYETTFSA-N 352.419 4.203 30 40 FIEB CC(C)c1ccc([C@@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ncnn32)cc1 6670418 WOTJNLLYGXVBTQ-IIBYNOLFSA-N 374.444 4.410 30 40 FIEB N#Cc1cccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1 7057223 HUUOHODEWVFWEP-UHFFFAOYSA-N 360.744 4.031 30 40 FIEB C=CCN(C(=O)[C@H]1Cc2cc(Cl)ccc2O1)c1nc2c(s1)CCCC2 12761714 KIIHLOCIGSRLNT-MRXNPFEDSA-N 374.893 4.198 30 40 FIEB Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccc(CC#N)cc3)c12 12790650 VSIUGZWYOGGBJY-UHFFFAOYSA-N 358.357 4.110 30 40 FIEB Cc1cc(C)nc(N/N=C/C2=C(O)/C(=C\c3cccc([N+](=O)[O-])c3)CC2)n1 25514949 SNYGFTHFOONIPK-MCAKNHNZSA-N 365.393 4.089 30 40 FIEB Cc1ccc(C[C@H](C#N)Sc2nc(C)c(C)n2C[C@@H]2CCCO2)cc1 32724403 PQOALOLNJSUTRT-RBUKOAKNSA-N 355.507 4.214 30 40 FIEB CCCN1C(=O)/C(=C/c2ccccc2O)S/C1=N/c1ccc(OC)cc1 97466971 QPXUKIYVZSPLST-RORWIDQYSA-N 368.458 4.415 30 40 FIEB CCCN1C2=C(C(=O)CCC2)C(c2ccccc2O)C2=C1CCCC2=O 409038394 OUVGNYSBEYBOBM-UHFFFAOYSA-N 351.446 4.216 30 40 FIEB C=CCN1C(=O)S/C(=C/c2cc(Br)ccc2OCC)C1=O 409102060 ZRXBKPQBLYKRSH-UKTHLTGXSA-N 368.252 4.070 30 40 FIEB COc1cc(/C=N/c2sc3c(c2C#N)CCCC3)c([N+](=O)[O-])cc1OC 993834 DXWSZINWWQPQSA-KEBDBYFISA-N 371.418 4.175 30 40 FIEB C#CCNC(=O)c1sc2cc(C(F)(F)F)cnc2c1-c1cccs1 4040948 WYGJAZIQEOWJMY-UHFFFAOYSA-N 366.389 4.407 30 40 FIEB CCNc1ccccc(C(=O)/C=C/c2ccc(Br)cc2)c1=O 4667370 ORGLRYFFJBRETB-FMIVXFBMSA-N 358.235 4.137 30 40 FIEB Cc1ccc(N/N=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 4995868 RJSHMPDXUBMNBD-CJLVFECKSA-N 363.402 4.367 30 40 FIEB CCCNC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1 9264209 FJIKQORRGFNPFY-FQEVSTJZSA-N 365.433 4.380 30 40 FIEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(C)cc1 13635086 FROZTSQJWNYBQX-FQEVSTJZSA-N 359.429 4.363 30 40 FIEB N#Cc1ccccc1-c1ccc(CN2C(=O)CC3(CCCCC3)C2=O)cc1 14187295 SGLWQNJJLLKASF-UHFFFAOYSA-N 358.441 4.435 30 40 FIEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCc1coc(-c2ccccc2)n1 14634094 ZVLUQDUKOWUVAS-UHFFFAOYSA-N 373.368 4.262 30 40 FIEB CCCCCCCCCCOC(=O)C[N+](C)(C)C[C@H]1CCCC[C@H]1O 17595886 RSXRUILBVIGUDZ-WOJBJXKFSA-N 356.571 4.298 30 40 FIEB COc1ccccc1CN/N=C/c1ccc(-c2ccc(C)cc2[N+](=O)[O-])o1 20761827 HKEMFMWJQNTYED-LPYMAVHISA-N 365.389 4.296 30 40 FIEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3cccc(F)c3)c2)c1 23881267 CWCKNDULVWTQRF-UHFFFAOYSA-N 373.383 4.264 30 40 FIEB CCOc1cc(Cl)cc(/C=N/c2ccccc2N2CCOCC2)c1O 32115070 ASBPEBXURHJLDJ-FYJGNVAPSA-N 360.841 4.032 30 40 FIEB Cc1cc(C)c(C#N)c(S[C@@H](C(=O)NC(C)(C)C)c2ccccc2)n1 1042452 APNBLXDNDSYERW-QGZVFWFLSA-N 353.491 4.318 30 40 FIEB CC(C)(C)c1ccc(/C=N/N/C(S)=N/c2ccccc2[N+](=O)[O-])cc1 4871905 IPSGNRKYKBDTNK-XDHOZWIPSA-N 356.451 4.433 30 40 FIEB CCOc1cc(/C=C2\S/C(=N\c3ccc(C)c(C)c3)NC2=O)ccc1O 5551267 UCWSTALIFCXNIV-WQRHYEAKSA-N 368.458 4.299 30 40 FIEB Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3cc([N+](=O)[O-])ccc3C)S2)c1 5753657 WZJLPYDACKGJHU-YVLHZVERSA-N 367.430 4.412 30 40 FIEB Cc1ccc(/C=N/c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1 5928267 WCWRWIDPISCPAO-RCCKNPSSSA-N 356.491 4.166 30 40 FIEB Cc1cccc(NC(=O)C(=O)[C@@H](C#N)c2c(Cl)cccc2Cl)c1C 6491187 OYNBCJDPQWTTKR-LBPRGKRZSA-N 361.228 4.425 30 40 FIEB COc1cccc(-c2nnc(S[C@H](C)C#N)n2-c2ccc(C)cc2)c1 6865506 WNSFCVRUFYUTAZ-CQSZACIVSA-N 350.447 4.256 30 40 FIEB Cc1cc(C)c(C#N)c(SCC(=O)N[C@H]2CCSc3ccccc32)n1 8342376 QSHWKFCCCMULJU-INIZCTEOSA-N 369.515 4.016 30 40 FIEB CCOC(=O)C1=C(CC)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1F 22001644 NYHZUHVMPGLOBH-GOSISDBHSA-N 371.452 4.383 30 40 FIEB COc1cc(/C=C2\Sc3ccccc3C2=O)ccc1OC(=O)N(C)C 33344268 JHHHJBIZSRARLS-BOPFTXTBSA-N 355.415 4.085 30 40 FIEB Cc1ccc(/C=C2\S/C(=N/c3cccc(C(F)(F)F)c3)NC2=O)o1 35646936 YWCGKYKKNVWHCO-JYRVWZFOSA-N 352.337 4.498 30 40 FIEB C#CCOc1cccc([C@H]2CC(O)=Nc3c2ncn3-c2cccc(OC)c2)c1 36358429 FKCKYUGKGHUFJM-LJQANCHMSA-N 373.412 4.017 30 40 FIEB Cc1ccc2c(c1C)N(CCOc1ccc3ccccc3c1)C(=O)/C2=N\O 46084686 OSYALXQGSCZYPV-ATJXCDBQSA-N 360.413 4.061 30 40 FIEB Cc1c(C)n(C(=O)OC(C)(C)C)c2ccc(B3OC(C)(C)C(C)(C)O3)cc12 170024165 ULNPDTLGHGFHKL-UHFFFAOYSA-N 371.286 4.341 30 40 FIEB Cc1ccccc1CSc1nc(N)c(C#N)c(Cc2ccc(F)cc2)n1 223679479 YWWHFQLCRLHBIJ-UHFFFAOYSA-N 364.449 4.261 30 40 FIEB Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)S2)cc1 408966690 PXGNICMZCQKLFS-OQLLNIDSSA-N 373.821 4.448 30 40 FIEB COc1ccc(Br)c2c1/C(=N/OC(=O)c1cccc(C)c1)CC2 409142215 CGJYTTIEQTYXSX-HMMYKYKNSA-N 374.234 4.273 30 40 FIEB CCN1C(=O)/C(=C\c2ccc(OC)c(O)c2)S/C1=N/c1ccc(F)cc1 409239913 OHMLFRAPTAFABZ-WZOFUNJYSA-N 372.421 4.164 30 40 FIEB C=CCO[C@@H]1CC2(CCN(C(=O)c3conc3C)CC2)c2cc(C)ccc21 1615102118 MPJMKIDECBQITM-HXUWFJFHSA-N 366.461 4.113 30 40 FIEB CC/N=C1/Sc2nc3ccc(OCC)cc3cc2CN1C[C@@H]1CCCO1 1358798 GFNKOFXCHJWBPG-UAFUQJIBSA-N 371.506 4.096 30 40 FIEB Cc1ccc(/C=N\n2c(S)nnc2-c2ccc(Cl)cc2Cl)o1 1478095 PVLOREOWKJSJAM-IDUWFGFVSA-N 353.234 4.324 30 40 FIEB C=C(C)Cn1c(SCC)nc2sc3c(c2c1=O)C[C@@](C)(CC)OC3 2371918 HIPKNAKGERIMPQ-GOSISDBHSA-N 364.536 4.388 30 40 FIEB CCSc1nc2n(n1)[C@@H](c1ccc(F)cc1)C1=C(CC(C)(C)CC1=O)N2 6677836 YXVBBZOKCATUIV-INIZCTEOSA-N 372.469 4.187 30 40 FIEB COc1cc(/C=C/C(=O)c2ccc(C(=O)O)s2)cc(Cl)c1OC 7333388 NLGOZIUCNBWAIY-ONEGZZNKSA-N 352.795 4.013 30 40 FIEB Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](C)c1cccc2ccccc12 13011998 GJOGWODKBMYKNS-MRXNPFEDSA-N 374.488 4.377 30 40 FIEB O=C1/C(=C/c2ccncc2)Oc2c1ccc1c2CN(c2ccc(F)cc2)CO1 13690029 GCJCBHJAKVBCLF-JAIQZWGSSA-N 374.371 4.193 30 40 FIEB C[C@H]1CCc2c(sc(NC(=O)CC3(CC(=O)O)CCCCC3)c2C#N)C1 24151092 JQJQZNZEVVGVDL-ZDUSSCGKSA-N 374.506 4.498 30 40 FIEB C=CCN(CC=C)C(=O)c1ccn(COc2ccc(-c3ccccc3)cc2)n1 27972082 LJQCZANUJYBGAI-UHFFFAOYSA-N 373.456 4.401 30 40 FIEB N#Cc1cn(CC(=O)Nc2ccccc2F)c2ccc(Br)cc12 59109377 HFNFRLZLYRVOTQ-UHFFFAOYSA-N 372.197 4.053 30 40 FIEB C#CCOc1cccc(CN[C@@H](Cc2cccs2)c2nccs2)c1 72341755 BIAKKVBMYTYKBX-SFHVURJKSA-N 354.500 4.290 30 40 FIEB N#C[C@@H]1[C@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 218623610 YCPCKJAXKFKTQH-PMPSAXMXSA-N 352.242 4.073 30 40 FIEB Cc1ccc(-n2c(C)cc(/C=N/Nc3ncccc3[N+](=O)[O-])c2C)c(C)c1 409098048 NDZQVFXCIILZOZ-WSDLNYQXSA-N 363.421 4.460 30 40 FIEB O=C(Nc1cccc(/N=C/c2cc([N+](=O)[O-])ccc2O)c1)c1ccccc1 3140484 LUWGQBJXCRHUPK-FYJGNVAPSA-N 361.357 4.303 30 40 FIEB C=CCN(C(=O)[C@@H]1Cc2cc(Cl)ccc2O1)c1nc2c(s1)CCCC2 12761722 KIIHLOCIGSRLNT-INIZCTEOSA-N 374.893 4.198 30 40 FIEB O=C(Oc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O)c1ccco1 13778135 ZWSUXCWPYHNRSI-ZDLGFXPLSA-N 350.301 4.254 30 40 FIEB C=CCN1C(=O)c2[nH]nc(-c3c(C)cc(C)cc3O)c2[C@H]1c1ccc(C)cc1 16753036 FVDJDERAYPTZGL-JOCHJYFZSA-N 373.456 4.439 30 40 FIEB Cc1ccc(C[C@H](C#N)Sc2nnc(/C=C/c3ccc(C)o3)[nH]2)cc1 31802473 ABFZZZCOMFRWQU-OAGJVSPASA-N 350.447 4.412 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccsc2)C[C@H]1c1ccc(OCC)cc1 69374869 XNWYKNFLUCKENO-AZUAARDMSA-N 370.470 4.466 30 40 FIEB N#Cc1cnc(N2CCCCC[C@H]2C[C@@H](O)c2ccccc2)c(Cl)c1 75106874 HWRJKPYLFYBQOI-PKOBYXMFSA-N 355.869 4.479 30 40 FIEB C=C1[C@@H](NC)CC[C@]23C[C@@]24CC[C@]2(C)[C@@H](C(C)=O)[C@@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13 118930062 KTASKRCJBXZGMH-UEWVKWSKSA-N 371.565 4.103 30 40 FIEB biogenic C=CCOc1ccc(N(C)S(=O)(=O)c2ccc3ccccc3c2)cc1 225067134 MKQJUEZUYYBTHR-UHFFFAOYSA-N 353.443 4.230 30 40 FIEB CCN1c2ccc(/C=C3\S/C(=N\C)N(C)C3=O)cc2[C@H](C)CC1(C)C 260563036 FGVGNIDSRUMOEA-ISJOOFOJSA-N 357.523 4.331 30 40 FIEB CCCN1C(=O)/C(=C/c2ccc(-c3ccccc3C#N)o2)SC1=S 409349856 WMFQUAPKUBCJDD-YBEGLDIGSA-N 354.456 4.429 30 40 FIEB CCNc1ccc(C#N)cc1NC(=O)c1ccc(O[C@@H]2CC2(F)F)cc1 528827120 WAUKODAMXABHQY-QGZVFWFLSA-N 357.360 4.029 30 40 FIEB CC1(C)OB(c2c(Br)ccc(Cl)c2Cl)OC1(C)C 642814785 XCNFWWZILSRYSR-UHFFFAOYSA-N 351.864 4.055 30 40 FIEB C[C@@H]1CCc2c(sc(NC(=O)c3cc(=O)c4ccccc4o3)c2C#N)C1 3892320 GQZLXRPKQVBCKE-LLVKDONJSA-N 364.426 4.103 30 40 FIEB Cc1ccc2[nH]c3nc(N/N=C/c4ccc5ccccc5c4)nnc3c2c1 4577659 LMNFEUGLXICBNP-WSDLNYQXSA-N 352.401 4.414 30 40 FIEB O=C1C2=C(Nc3ccccc3S(=O)(=O)[C@@H]2c2ccccc2)c2ccccc21 4677759 SJYBUJGFLWQBES-JOCHJYFZSA-N 373.433 4.235 30 40 FIEB N#Cc1cccc(NC(=O)c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)c1 4895539 RYBKARZTNVIOLQ-UHFFFAOYSA-N 364.405 4.099 30 40 FIEB CCOc1ccc(/C=C/C(=O)c2ccc(C(F)(F)F)nc2O)cc1OC 32925447 HTARVOJBAFTAQE-QPJJXVBHSA-N 367.323 4.109 30 40 FIEB O=C1C(=C/C=C/C=C/C2=C(O)c3ccccc3C2=O)C(=O)c2ccccc21 34111492 CXIFCQTUHDTLAN-DZPBGTKHSA-N 354.361 4.270 30 40 FIEB O=C1/C(=C\c2ccncc2)Oc2c1ccc1c2CN(C2CCCCC2)CO1 41658806 YNGNFQLSCGAONI-UDWIEESQSA-N 362.429 4.182 30 40 FIEB CC1(C(=O)NC(C2CC2)C2CC2)CCN(c2ccc(Cl)cc2C#N)CC1 561032186 RHPJQRZFBCZCAH-UHFFFAOYSA-N 371.912 4.123 30 40 FIEB Cc1cc(/C=N/Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1ccc(Cl)cc1 4047970 OROMTOHELVYREW-UFFVCSGVSA-N 369.812 4.497 30 40 FIEB C=CCN(CC=C)S(=O)(=O)c1ccc(-c2nc3ccccc3s2)cc1 4174133 NHBHAYGLAIHSPE-UHFFFAOYSA-N 370.499 4.326 30 40 FIEB C=CCOc1ccccc1/C=C1/SC(Nc2ccc(O)cc2)=NC1=O 6856118 DJWRGADMRAAZFV-SFQUDFHCSA-N 352.415 4.039 30 40 FIEB CC(C)c1ccc(/C=C2\Oc3cc(OC(=O)N(C)C)ccc3C2=O)cc1 12662890 ACLGFBDEWDONIP-ODLFYWEKSA-N 351.402 4.487 30 40 FIEB biogenic Cc1cc(C)cc(-n2c(C)cc(/C=N/N3C(=O)c4ccccc4C3=O)c2C)c1 59427027 ZPVIITWEBCBMDT-ZMOGYAJESA-N 371.440 4.341 30 40 FIEB Cn1nccc1/C=C1\C[C@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@@]2(C)C1=O 71785087 ANYSKZGJSBHZPP-YMYVJMBUSA-N 362.473 4.244 30 40 FIEB C[C@@H]1c2cc3c(cc2CCN1C/C(O)=N/c1ccccc1)OCCCO3 82059205 NZKAQZURXRPUQX-OAHLLOKOSA-N 352.434 4.055 30 40 FIEB biogenic COc1ccc(OCc2nc(CNc3cccc(C#N)c3)cs2)cc1 95456994 SARGEOOLRUQJSA-UHFFFAOYSA-N 351.431 4.214 30 40 FIEB CCCCCCCOc1ccc(CNCc2ccnc(N(C)C)n2)cc1 97971436 OZEKXWSVLIEORZ-UHFFFAOYSA-N 356.514 4.182 30 40 FIEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1c3ccccc3cc3ccccc13)[C@H]1C=C[C@H]2C1 103942097 YWUWYHYMICSPIA-FZNKKJTISA-N 366.420 4.134 30 40 FIEB Cc1[nH]c2ccccc2c1CC/N=C(/O)N1CCC(c2nccs2)CC1 328766892 HKWOEODQSHKUCT-UHFFFAOYSA-N 368.506 4.269 30 40 FIEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(-c3cccc(F)c3)o2)c([N+](=O)[O-])c1 409009704 HOLNKIHSQOASLM-VXLYETTFSA-N 370.296 4.348 30 40 FIEB CSC(=S)N/N=C/c1nc(-c2ccc(Cl)cc2)n2ccccc12 1448699 IWTWBPVLQKKSGR-VCHYOVAHSA-N 360.895 4.226 30 40 FIEB COc1ccc2c(c1)OCC/C2=N\OC(=O)c1ccc(C(C)(C)C)cc1 4351896 RCZZRJYHQHWEQV-RELWKKBWSA-N 353.418 4.336 30 40 FIEB C[C@H](/C(=N\N(C)C)c1ccccc1)[C@@H](C)/C(=N/N(C)C)c1ccccc1 5411997 ZDFMBBGNNCSRDC-DNRZQDIOSA-N 350.510 4.190 30 40 FIEB C/C(=N\NC(=S)NC(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 6051774 VYEVFBWXQZECQU-HYARGMPZSA-N 353.491 4.013 30 40 FIEB C=CCn1cnn(CN2CCC[C@@H](c3nc4ccccc4s3)C2)c1=S 8147086 PLEFROAGJIHUOV-CQSZACIVSA-N 371.535 4.047 30 40 FIEB C=CCNC(=O)c1ccccc1NC(=O)/C=C/c1cccc2ccccc12 8554482 PYVBFHATCRLTRH-CCEZHUSRSA-N 356.425 4.408 30 40 FIEB C=C(C)Cn1c([C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)nc2ccccc21 12062176 RNILJOKSXPZYAJ-QGZVFWFLSA-N 363.436 4.268 30 40 FIEB Cc1cc(C)c(C#N)c(SCc2nc(N)c3c(C)c(C)sc3n2)n1 12476516 HRVUOKODZXBQPC-UHFFFAOYSA-N 355.492 4.066 30 40 FIEB O=C(/C=C/c1ccc(OCc2ccccn2)cc1)c1ccc2c(c1)OCO2 40139558 KPTSPDBQHHYULE-UXBLZVDNSA-N 359.381 4.285 30 40 FIEB C[C@H](NC(c1ccccc1)c1ccccc1)C(=O)Nc1cccc(C#N)c1 58160573 RGGNATSGRSCAEY-KRWDZBQOSA-N 355.441 4.264 30 40 FIEB Cc1cc(C(F)(F)F)c(C#N)c(SCc2nnsc2Cl)n1 69919851 XLSDERSVQVFKSF-UHFFFAOYSA-N 350.778 4.078 30 40 FIEB N#Cc1ccc(/C=C2/CCOc3ccc(Br)cc3C2=O)cc1 82066032 OLVMGXPRDYSZMA-ZROIWOOFSA-N 354.203 4.370 30 40 FIEB C[C@]12CC=C3C4=C(CC[C@H]3[C@@H]1CC[C@@]2(O)CC#N)CC1(CC4)OCCO1 96134222 SZVVXUDCCJGKOM-IVAOSVALSA-N 355.478 4.011 30 40 FIEB in-vitro N#Cc1nc([C@H]2C[C@H]2c2ccccc2)oc1N1CCN(c2ccccc2)CC1 96346644 UQVAUVPNCAHIOZ-PMACEKPBSA-N 370.456 4.144 30 40 FIEB CN1/C(=C/C=C2\C=C([N+](=O)[O-])C=CC2=O)c2ccccc2-c2ccccc21 100259519 PYIYLUYBNBIKFJ-ZPDWWOFUSA-N 356.381 4.370 30 40 FIEB O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCC(F)F 169795671 SDFKUUVBAPNHOV-UHFFFAOYSA-N 372.130 4.263 30 40 FIEB C#CCOC(=O)/C=C/c1ccc(OCc2ccc(Br)cc2)cc1 226332753 VRSLYYKFDNWXMW-KPKJPENVSA-N 371.230 4.218 30 40 FIEB CC[C@H](C)Oc1ccccc1/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408604677 WBVPPOHZBIYEGL-HWQJWEFDSA-N 358.354 4.126 30 40 FIEB C[C@@H](NC(=O)NCc1ccccc1CC(F)(F)F)c1cccc(C#N)c1 598999758 RFJYIZCNBOZNGX-CYBMUJFWSA-N 361.367 4.223 30 40 FIEB C=C(C)COc1cc(/C=C2\N=C(c3ccccc3F)OC2=O)ccc1OC 2084306 DJQAXNIAWCBYTC-YVLHZVERSA-N 367.376 4.134 30 40 FIEB COc1cc(/C=C2/C(=O)ON=C2C)cc(Cl)c1OCc1ccccc1 4320986 UCHSXUDIPCRUNC-OVCLIPMQSA-N 357.793 4.244 30 40 FIEB CCc1ccccc1N/C(=N\S(=O)(=O)c1ccccc1)C(F)(F)F 16873028 RNOKSUMZYXFGKO-UHFFFAOYSA-N 356.369 4.011 30 40 FIEB C/C(O)=C1/C(=O)N(O)c2cc(NC(=O)c3ccc4ccccc4c3)ccc21 100970608 CQXOCENXECGWEP-UNOMPAQXSA-N 360.369 4.117 30 40 FIEB Cc1cccc(Cc2nc(SCc3cccc(F)c3)nc(N)c2C#N)c1 223670826 URLVRXRSRDGUIC-UHFFFAOYSA-N 364.449 4.261 30 40 FIEB N#Cc1ccc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(N)c1 225497877 IUTHOUOLONWNTF-UHFFFAOYSA-N 368.484 4.052 30 40 FIEB Cc1c(Cl)c(C(=O)Nc2sc3c(c2C#N)[C@@H](C)[C@@H](C)CC3)nn1C 331807579 WTYDOSSXXBNMFL-IUCAKERBSA-N 362.886 4.253 30 40 FIEB N#CCOc1ccc2c(=O)c(-c3ccc(Br)cc3)coc2c1 2425506 VYSDSXQLBQRZCK-UHFFFAOYSA-N 356.175 4.125 30 40 FIEB CC(=O)Oc1ccc(-c2cccc(C(=O)Oc3ccc(C#N)cc3)c2)cc1 3458968 GNJARFDJFFASGV-UHFFFAOYSA-N 357.365 4.370 30 40 FIEB CCOc1cc(/C=C/C(=O)c2ccc(OCC#N)cc2)cc(Cl)c1O 8321737 LQZJDRLKETYBBC-FPYGCLRLSA-N 357.793 4.243 30 40 FIEB COc1cc(Br)c(/C=C/C(=O)c2cccs2)cc1OC 12745106 TWSAUMVLDYPYIY-AATRIKPKSA-N 353.237 4.424 30 40 FIEB C=CCn1c(C)nnc1SCC(=O)N(c1ccccc1)c1ccccc1 12851274 TXYGUEZEJFHCGF-UHFFFAOYSA-N 364.474 4.230 30 40 FIEB Cc1noc2c1[C@H](c1cccnc1)C1=C(C[C@H](c3ccc(O)cc3)CC1=O)N2 13550800 XFEOBHIYWPQNBN-YWZLYKJASA-N 373.412 4.042 30 40 FIEB CCOc1cc(/C=N\Nc2cccc(C(F)(F)F)c2)ccc1OC(C)=O 33594638 KKYJPEJVYQYXGA-JJFYIABZSA-N 366.339 4.475 30 40 FIEB C#Cc1cccc(NC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)c1 40039729 OBQKBMMXQYWBGM-UHFFFAOYSA-N 360.413 4.033 30 40 FIEB Cc1ccc(N/C=C/C(=O)c2ccc3c(c2)OCO3)c(Br)c1 44842782 MJFVWEHYPGFQLN-VOTSOKGWSA-N 360.207 4.295 30 40 FIEB N#Cc1cnn2c1NC1=C(C(=O)CCC1)[C@@H]2c1ccc(Cl)c(Cl)c1 44890044 OAJPCFINQDVUBA-INIZCTEOSA-N 359.216 4.084 30 40 FIEB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OCC[N+](C)(C)CC(=O)OCc1ccccc1)C2 100715817 WWSFBZLUMRJQDA-JTAQYXEDSA-N 374.545 4.038 30 40 FIEB COC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103538533 BRWBDEIUJSDQGV-UHFFFAOYSA-N 350.074 4.329 30 40 FIEB C=C(C)CSc1nnc(SCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)s1 103923206 VPLQHUSFFOOPPR-RWMBFGLXSA-N 371.597 4.239 30 40 FIEB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C(C)=O)CC[C@H]4[C@@H]3C[C@H]3O[C@@]32C1 118917583 JRCRFBRVIWOWLF-PWFQONRBSA-N 374.521 4.297 30 40 FIEB C=C[C@@]1(O)CC[C@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@@H](OC(C)=O)CC[C@]5(C)[C@H]3CC[C@@]21C 122623862 RSBPOYAJCVXJON-LIUDVRQDSA-N 374.521 4.009 30 40 FIEB C=CCOc1ccc(NC(=S)NCCOc2ccccc2Cl)cc1 225780597 DIMYZRGFWPIHCP-UHFFFAOYSA-N 362.882 4.270 30 40 FIEB CC(C)COc1ccccc1/C=N/NC(F)(F)C(F)(F)C(F)(F)F 409050292 UCXWTUKWDLQLON-QPJQQBGISA-N 360.273 4.435 30 40 FIEB COc1ccc(/C=C/C(=O)c2ccc(N3CCCC3)c(F)c2)cc1OC 7586545 OTMWYHWHXRPHEH-WEVVVXLNSA-N 355.409 4.339 30 40 FIEB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(C(C)(C)C#N)cc1 29152798 JPDBPOODNHPLLA-NRFANRHFSA-N 373.456 4.390 30 40 FIEB C=CCc1cc(C(=O)Nc2ccc(C(=O)OCC)cc2C)ccc1OC 10447352 YKMIRSLRIVGQAR-UHFFFAOYSA-N 353.418 4.161 30 40 FIEB Cc1ccc(C(=O)Nc2sc3c(c2C#N)CC(C)(C)NC3(C)C)cc1 1300649 GHFONEINVWUZCR-UHFFFAOYSA-N 353.491 4.340 30 40 FIEB N#Cc1ccccc1OCC(=O)N(Cc1ccccc1)Cc1ccccc1 3365508 JRHWMVBIPIAOPI-UHFFFAOYSA-N 356.425 4.166 30 40 FIEB COc1ccc(Cl)cc1/C=N/NC(F)(F)C(F)(F)C(F)(F)F 409050281 TZWIXLIQRYLRNG-DENHBWNVSA-N 352.637 4.063 30 40 FIEB C/C(=N\OCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1cccs1 4855722 JMFRHSRQCOOFFG-CIAFOILYSA-N 373.503 4.329 30 40 FIEB C=CCc1cc(/C=N/c2ccc(C(=O)OCC)cc2)cc(OCC)c1O 408855347 CJFHFDFUWMIMBL-HYARGMPZSA-N 353.418 4.447 30 40 FIEB C#CCOc1ccc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc1OC 409095101 GSHDJNQDHVXTSI-DHDCSXOGSA-N 373.330 4.219 30 40 FIEB C(=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1)\c1ccccc1 19682361 JGAYKEAZJXUZJD-BWAHOGKJSA-N 353.469 4.408 30 40 FIEB CCOc1ccc(/N=C2\NC(=O)/C(=C/c3c[nH]c4ccccc34)S2)cc1 5374499 NOAUMSWGIQNSFR-WQRHYEAKSA-N 363.442 4.458 30 40 FIEB CC(C)(C)c1ccc(OCC(=O)Nc2sc3c(c2C#N)CCC3)cc1 3221834 RPURXHAUZMXXNL-UHFFFAOYSA-N 354.475 4.423 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(OC)c2)C[C@@H]1c1cccs1 4919338 ZTBROBNFCNPTCZ-APWZRJJASA-N 356.443 4.076 30 40 FIEB COc1ccc(Cl)cc1/C=C1/S/C(=N/c2ccc(F)cc2)NC1=O 8209071 UFRBBRCCMMAHDT-OQLLNIDSSA-N 362.813 4.379 30 40 FIEB Cc1ccc(-c2csc([C@H](C#N)C(=O)Nc3cccnc3Cl)n2)cc1 79101527 FRMWPGCYADWBPL-CYBMUJFWSA-N 368.849 4.413 30 40 FIEB N#Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)sc2c1CCCC2 1058469 UMVJMXADMKMBDS-UHFFFAOYSA-N 361.810 4.312 30 40 FIEB CCCCn1c(SCc2ccccc2C#N)nnc1[C@H](CC)N(C)C 7006420 DRVHLRJYXFKTGK-KRWDZBQOSA-N 357.527 4.255 30 40 FIEB COc1ccccc1N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 8141492 VJFKVVURLQDMGU-ZDUSSCGKSA-N 369.490 4.336 30 40 FIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCc5ccccc5C4)[C@H]3C[C@@H]12 12884658 NGDNTENCUITPCQ-KQWJERSKSA-N 365.517 4.359 30 40 FIEB biogenic C=CCOc1ccc(C(=O)N[C@H](C)c2cc3ccccc3o2)cc1OC 14245513 RRRBAIXMFSXXEX-CQSZACIVSA-N 351.402 4.497 30 40 FIEB CN(Cc1ccccc1)/C(=N/S(=O)(=O)c1cccs1)c1ccccc1 15906611 VFDIJPINVDBMJL-FMQUCBEESA-N 370.499 4.016 30 40 FIEB Cc1ccc(CN2CCN(/N=C/c3c(F)cccc3Cl)CC2)c(C)c1 20171862 ZQAOHMXJMTUKLV-YDZHTSKRSA-N 359.876 4.248 30 40 FIEB CCOC(=O)c1cc(-c2ccc(/C=C3\C(=O)ON=C3C)o2)ccc1Cl 34895823 SAKILSKWNWEEEP-LCYFTJDESA-N 359.765 4.093 30 40 FIEB Cc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(N(C)C)cc3)S2)cc1C 35647688 OIEAWYVBTVKXLN-LDADJPATSA-N 351.475 4.261 30 40 FIEB Cc1ccc(-c2csc3ncn(C[C@H](C#N)CCC#N)c(=O)c23)cc1C 53727935 MNLVRGUTLYWQJE-HNNXBMFYSA-N 362.458 4.185 30 40 FIEB COC(=O)C1=C(C)N(c2ccccc2)/C(=C/c2ccc(Cl)cc2)C1=O 59516265 GGSIHJVOKXDAGA-SFQUDFHCSA-N 353.805 4.217 30 40 FIEB O=C1COc2ccc(C(=O)/C=C/c3ccccc3OC3CCCC3)cc2N1 63277901 RWGUJPPONZVJFW-PKNBQFBNSA-N 363.413 4.235 30 40 FIEB Cc1ccc(-c2nn(CCc3nnc(-c4ccccc4)o3)cc2C#N)cc1 72238817 DMRBOFQBYGKWPV-UHFFFAOYSA-N 355.401 4.023 30 40 FIEB Cc1ccc(OC[C@@H](O)CON=C2c3ccccc3-c3ccccc32)cc1 95117241 DAIHRKYOZNTUAH-QGZVFWFLSA-N 359.425 4.184 30 40 FIEB C[C@H]1C[C@@H](CNCc2cccc(OCc3cccc(C#N)c3)c2)CCO1 95457726 UZUQXLKXWPNQIR-PXNSSMCTSA-N 350.462 4.042 30 40 FIEB O=C1NC(=Nc2ccccc2F)S/C1=C\c1ccc(N2CCCCC2)o1 408883925 RVERFAWPJOGMSG-VBKFSLOCSA-N 371.437 4.301 30 40 FIEB Cc1cc(N2CCCC2)ccc1/C=C1\SC(=Nc2ccccc2)NC1=O 408962182 WZQXJRRKDCDOMF-RGEXLXHISA-N 363.486 4.487 30 40 FIEB CO[P@](=O)(C#Cc1ccccc1)[C@H](O)c1ccc(Br)cc1 1310225 KZALOBXNUSOFOH-HRAATJIYSA-N 365.163 4.374 30 40 FIEB COc1ccc(/C=N/Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 3897922 KTWPJOILDGOLNV-VCHYOVAHSA-N 354.391 4.173 30 40 FIEB CS/C(=N/S(=O)(=O)c1cccs1)Nc1ccc(F)c(Cl)c1 6131627 IXZICZKRCFVRLZ-UHFFFAOYSA-N 364.876 4.060 30 40 FIEB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)/C=C/c1ccc(C#N)cc1 7989201 SQUVSIXHBITETD-BUHFOSPRSA-N 370.456 4.033 30 40 FIEB COc1cc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)cc(OC)c1C 40051053 NZPFVXWJXOBKET-UHFFFAOYSA-N 372.424 4.059 30 40 FIEB C=CCOC(=O)c1nnc2c(-c3cccc(Cl)c3)c(C(C)C)nn2c1C 40385116 YSAYOIYQCXEFEC-UHFFFAOYSA-N 370.840 4.219 30 40 FIEB Cc1ccc(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 46707009 INGXTQRZKQNRPA-CQSZACIVSA-N 363.442 4.074 30 40 FIEB COc1cc(C(=O)/C=C/c2cnn(-c3ccc(Cl)cc3)c2)ccc1O 65488133 BNTIXUJUBXTYDV-KRXBUXKQSA-N 354.793 4.136 30 40 FIEB COc1ccc(N/C=C(/C(=O)c2cccs2)C(=O)C(F)(F)F)cc1 100560905 GRSYWEYICSQHMD-XFXZXTDPSA-N 355.337 4.067 30 40 FIEB CC1=NN(c2ccccc2)C(=O)/C1=N/OC(=O)Nc1cccc2ccccc12 100950701 KPNLEXGIEYMRDV-LYBHJNIJSA-N 372.384 4.167 30 40 FIEB Cn1cc([C@@H]2CCCN2/C(O)=N/[C@H]2CC=C(c3ccc(F)cc3)CC2)cn1 329286227 ORHDKCVZDRNTLK-PMACEKPBSA-N 368.456 4.246 30 40 FIEB CCCCNC(=S)N(C)/N=C/c1cccc(OCc2ccccc2)c1 3309395 LSSFOZFXOYQWEZ-PXLXIMEGSA-N 355.507 4.206 30 40 FIEB COc1ccccc1NC(=O)c1cn(CCC#N)nc1-c1ccc(C)cc1 5000369 LVKBWKFQGHXXGL-UHFFFAOYSA-N 360.417 4.033 30 40 FIEB N#Cc1ccccc1NC(=O)CSc1nc(C2CC2)nc2ccccc12 8756319 RKNZPTLFXNCRJM-UHFFFAOYSA-N 360.442 4.110 30 40 FIEB CC1(C)OC(=C/C=N/c2ccc(I)cc2)OC1(C)C 13595828 HRXUYSOCXVKJOI-LICLKQGHSA-N 371.218 4.439 30 40 FIEB CSc1nc(C2CC2)cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1C#N 14086839 VHLDMHSRZXLYRB-UHFFFAOYSA-N 367.518 4.251 30 40 FIEB COc1cc2c(c(OC)c1)[C@H](c1cccc(F)c1)C1=C(CCCC1=O)N2 18200465 PRYANPJREGJBNM-LJQANCHMSA-N 353.393 4.407 30 40 FIEB CCCOc1cc(/C=C2\COc3ccc(OC)cc3C2=O)ccc1OC 22958242 BPTXTKYWDBUROE-XNTDXEJSSA-N 354.402 4.151 30 40 FIEB C=CCn1c(-c2ccccc2)cs/c1=N\N=C\c1ccc(N(C)C)cc1 27024051 CCNPTLJSXVHFCS-BCCQSQKXSA-N 362.502 4.403 30 40 FIEB CCOc1ccccc1-c1noc(CSCc2ccc(C#N)cc2)n1 31419223 MKCZNYFVBDDSAG-UHFFFAOYSA-N 351.431 4.440 30 40 FIEB Cc1csc([C@H](C#N)C(=O)Cc2c[nH]c3cccc(Br)c23)n1 89705266 QLETZQWBNVYLQR-LLVKDONJSA-N 374.263 4.114 30 40 FIEB O=C(/C=C/c1ccncc1)c1c(-c2ccccc2)c2ccccc2[nH]c1=O 95115983 HKFNYNBDIGSGRJ-ZHACJKMWSA-N 352.393 4.486 30 40 FIEB O=C1/C(=C\c2cnn(-c3ccc(Cl)cc3)c2)CCc2cc(O)ccc21 96402134 HIIOGWQHNFZZMJ-DHDCSXOGSA-N 350.805 4.444 30 40 FIEB CCCCCCCCCCCCCCN(CCO)C(=O)CCC(=O)O 100924213 QAACVAUWOJVTNG-UHFFFAOYSA-N 357.535 4.373 30 40 FIEB CN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 102932982 IIZRIARZNVAOQM-IDTYTIONSA-N 362.212 4.045 30 40 FIEB CCOc1c(Cl)cc(/C=N/Nc2ncccc2[N+](=O)[O-])cc1Cl 409098107 IHRYWPQILABAFE-QGMBQPNBSA-N 355.181 4.141 30 40 FIEB N#Cc1c(/N=C/c2ccc(I)o2)sc2c1CCC2 1094575 HAXJYQINFSSZJT-FRKPEAEDSA-N 368.199 4.057 30 40 FIEB C[C@@H]1CCc2c(sc(NC(=O)CN3CCCc4ccccc43)c2C#N)C1 2627501 QNRDNDJZNDCAKW-CQSZACIVSA-N 365.502 4.136 30 40 FIEB O=C(CCc1c[nH]c2ccccc12)N1CCS/C1=N\Cc1ccccc1 3408663 TYGFONJWOMPUQC-LNVKXUELSA-N 363.486 4.232 30 40 FIEB O=C(/C(=N/Nc1ncnc2ccccc12)c1ccccc1)c1ccccc1 4536922 HMUJDBGPRLAFAB-LKUDQCMESA-N 352.397 4.329 30 40 FIEB CCN1C(=O)/C(=C\c2ccccc2)S/C1=N\c1ccc(C(=O)OC)cc1 4660306 BMDGUIBBIDRPEN-NBEBQTRCSA-N 366.442 4.097 30 40 FIEB CCCCCCOc1ccc([C@H]2C(C(C)=O)=C(C)Nc3ncnn32)cc1 6756369 YKDOQEWPYIVKGB-IBGZPJMESA-N 354.454 4.115 30 40 FIEB O=C1C[C@@H](/C=C/c2ccccc2)CC2=C1[C@H](c1cccs1)n1ncnc1N2 9190054 GDLSCJKRWVENMI-XWOGNTPLSA-N 374.469 4.301 30 40 FIEB O/C(=N\c1nnc(-c2ccncc2)s1)c1cc(Br)cs1 20534625 AZBPFKVBKVOCSO-UHFFFAOYSA-N 367.253 4.060 30 40 FIEB CCc1ccc(CCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1 22476634 CADXMSIXIZIFME-UHFFFAOYSA-N 359.391 4.368 30 40 FIEB O=C(COc1ccc(/C=N\c2cccc(Cl)c2)cc1)NCc1ccco1 408803583 QUQFZKPLOFZYRG-UUYOSTAYSA-N 368.820 4.379 30 40 FIEB COc1ccccc1C=Nn1c(C2CCCCC2)nc2ccccc2c1=O 409306817 QFPZFMXSEBBJIB-UHFFFAOYSA-N 361.445 4.335 30 40 FIEB N#Cc1c(NC(=O)CSc2nc3ccccc3o2)sc2c1CCCC2 4700346 AZDKONHNHUWETA-UHFFFAOYSA-N 369.471 4.371 30 40 FIEB O=C1c2ccc3c4c(ccc(c24)C(=O)N1/N=C/c1ccc(Cl)cc1)CC3 5569256 JHUUAUQQYGCIBF-FOKLQQMPSA-N 360.800 4.222 30 40 FIEB NC(=S)N/N=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12 7099549 DLQAWIOEYQNZCN-FSJBWODESA-N 358.470 4.010 30 40 FIEB Cc1ccc(N/C=C2/C(=O)C(C)(C)Oc3ccc4ccc(=O)oc4c32)cc1 100616290 UZVIDJMHLUPIRL-FOWTUZBSSA-N 361.397 4.295 30 40 FIEB Cc1ccc(CSc2nc(N)c(C#N)c(Cc3ccccc3F)n2)cc1 223675783 OZWALOLRPIAAQI-UHFFFAOYSA-N 364.449 4.261 30 40 FIEB NC(=O)c1c(/N=C/c2cc([N+](=O)[O-])ccc2Cl)sc2c1CCCC2 671940 FMWVNLMFJDJZCR-UFWORHAWSA-N 363.826 4.038 30 40 FIEB Cc1ccc2cc(C#N)c(SCC(=O)N3CCCc4ccccc43)nc2c1 812944 WWJLPDAMTPCWSZ-UHFFFAOYSA-N 373.481 4.486 30 40 FIEB C[C@H]1CCc2sc(NC(=O)COc3ccc(Cl)cc3)c(C#N)c2C1 1518617 MLWZNTKRNFPOSX-NSHDSACASA-N 360.866 4.415 30 40 FIEB N#CCSc1nnc(CNc2ccc(Cl)cc2)n1Cc1ccccc1 5008041 OTSSASQOUSGBFG-UHFFFAOYSA-N 369.881 4.208 30 40 FIEB CCN(CC)c1ccc(/N=C2/NC(=O)/C(=C\c3cccs3)S2)cc1 5376777 GVIBQFICTOSXCW-FOWTUZBSSA-N 357.504 4.486 30 40 FIEB C=CCn1nnc(NCc2ccc(-c3cc(Cl)ccc3Cl)o2)n1 32617070 WKGPREVFZHPNRW-UHFFFAOYSA-N 350.209 4.038 30 40 FIEB O=CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 95681697 WJSFZGPTEQNWCB-UHFFFAOYSA-N 362.085 4.314 30 40 FIEB COc1cccc(/C=N/c2cccnc2)c1OCc1ccc(C(=O)O)cc1 409187218 NNPKSIVXEIBLCX-FSJBWODESA-N 362.385 4.118 30 40 FIEB Cc1ccc(C)c2nc(SCC(=O)N3CCCCCC3)c(C#N)cc12 1354293 KQWDSXGMKKJGFK-UHFFFAOYSA-N 353.491 4.218 30 40 FIEB CC(=O)Nc1ccc(/N=C/c2ccc(OC(=O)c3cccnc3)cc2)cc1 1464820 HXRAYWHBSQCDDC-YDZHTSKRSA-N 359.385 4.010 30 40 FIEB CCCCC(=O)O/N=C1\C(=O)N(Cc2cccc(Cl)c2)c2ccccc21 3064193 SNFBTJUIWYDQFX-QOCHGBHMSA-N 370.836 4.324 30 40 FIEB COc1ccccc1N1CCN(/N=C\C(Cl)=C\c2ccccc2)CC1 4662619 CJMNNPHUGBJINN-BDUZCWTISA-N 355.869 4.083 30 40 FIEB Clc1ccc(N/N=C/c2ccc(N3CCOCC3)cc2)cc1Cl 5331338 MCMCGAHCSVSWEG-UDWIEESQSA-N 350.249 4.276 30 40 FIEB CCn1c(C)c(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc21 5569453 TWPRDGWXZFYJAI-YBFXNURJSA-N 367.365 4.232 30 40 FIEB CCN(c1ccc(NC(=O)c2ccc(NC(=O)CC#N)cc2)cc1)C(C)C 12509633 YFXYZDOPTACCDO-UHFFFAOYSA-N 364.449 4.026 30 40 FIEB Cc1cn2c(/C=C/C(=O)c3ccc4c(c3)OCCCO4)c(C)nc2s1 12544568 LRWCLCJLZMIBQU-AATRIKPKSA-N 354.431 4.070 30 40 FIEB N#Cc1cnc2ccccc2c1N1CCC(C(=O)Nc2ccc(F)cc2)CC1 38654358 MOUGGYYXYPXKDX-UHFFFAOYSA-N 374.419 4.101 30 40 FIEB COc1ccccc1-c1n[nH]c(/N=C(\O)Cc2c(F)cccc2Cl)n1 48012083 HQZSFSXBXBXHCZ-UHFFFAOYSA-N 360.776 4.104 30 40 FIEB N#Cc1ccc(N2CCN([C@@H]3CCc4c(Cl)cc(Cl)cc43)CC2)nc1 89794192 OKNVAPVFQLPORO-GOSISDBHSA-N 373.287 4.070 30 40 FIEB C=CCOc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 408621858 PMAFFHBYTXNOEG-UHFFFAOYSA-N 358.246 4.359 30 40 FIEB COc1cc(N2CCCCC2)ccc1/C=N/c1ccc(C(=O)O)cc1C 409230261 XWQPGXXIMOPUQQ-HYARGMPZSA-N 352.434 4.443 30 40 FIEB CN(C)c1cccc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1 575242724 IRODKXPVSVIODL-UHFFFAOYSA-N 367.211 4.404 30 40 FIEB O=C(Nc1ccc(Cl)cc1)[C@@H]1Cc2c(ccc3ccccc23)O/C1=N\O 1889277225 AVFUCDXNOGEUNA-DVCONVQISA-N 366.804 4.471 30 40 FIEB C=CCn1c([C@H]2CC(=O)N(c3ccc(OCC)cc3)C2)nc2ccccc21 1447767 VIZGGIRUKRYCEQ-INIZCTEOSA-N 361.445 4.142 30 40 FIEB N#CC1(C#N)[C@@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@@H]1c1ccc(F)c(F)c1 4652937 LLYIYFWZFAYMSZ-YLPLBHSOSA-N 366.411 4.497 30 40 FIEB COc1cc(/C=N/Nc2cc(C)nc3ccc(C)cc23)cc(OC)c1OC 5006959 XKPFVMRTAOQUFG-WSDLNYQXSA-N 365.433 4.323 30 40 FIEB COc1cccc(-c2nc(COC(=O)c3ccc(C#N)cc3)cs2)c1 6638726 DTHXBAPZCURXEZ-UHFFFAOYSA-N 350.399 4.047 30 40 FIEB C=CCn1c(SC[C@H]2CCCO2)nc2scc(-c3ccco3)c2c1=O 11597178 PFJUNIPYJGHMIQ-GFCCVEGCSA-N 374.487 4.175 30 40 FIEB CCc1ccc(C(=O)C[n+]2cc(-c3ccc(Cl)cc3)n3c2CCC3)cc1 13787239 NBBKTZOFFDTUMP-UHFFFAOYSA-N 365.884 4.488 30 40 FIEB CN(C)c1ccc([C@@H]2C3=C(CCCC3=O)Nc3cc4c(cc32)OCO4)cc1 18196809 RNFMITJIPBGIKI-NRFANRHFSA-N 362.429 4.046 30 40 FIEB COc1ccc([C@H]2C3=C(CCCC3=O)Nc3cc(OC)c(OC)cc32)cc1 18197148 AMQPTTPKCKUMLJ-OAQYLSRUSA-N 365.429 4.277 30 40 FIEB CN(C)CCN(C)CC(C)(C)C(=O)/C=C\c1ccc(Cl)c(Cl)c1 23477934 MHGBXBZZDKXTGI-CLFYSBASSA-N 357.325 4.095 30 40 FIEB Fc1cc(/N=C2/CSc3nnc(-c4ccccc4)n3N2)ccc1Cl 27752277 QNIFIXVEARXHFD-UHFFFAOYSA-N 359.817 4.117 30 40 FIEB COc1ccc(N2C(=O)CC[C@@]2(C#N)c2ccc(Br)cc2)cc1 987623 SSVUVYKVZTVSJC-GOSISDBHSA-N 371.234 4.004 30 40 FIEB O=C(OCC#CCSc1nc2ccccc2o1)c1ccc(Cl)cc1 2184298 HXZVISAOQDKUFO-UHFFFAOYSA-N 357.818 4.434 30 40 FIEB N#Cc1nc(COc2ccc(Cl)cc2Cl)oc1NC[C@@H]1CCCO1 2409065 GVMWMBRJPZGJLJ-NSHDSACASA-N 368.220 4.023 30 40 FIEB C=CCn1c2nc3ccccc3nc2c2c(=O)n(CCCCCC)cnc21 2425005 PWSADUBYESQLRO-UHFFFAOYSA-N 361.449 4.061 30 40 FIEB COc1cc(/C=C2/S/C(=N/c3ccc(C)cc3)NC2=O)cc(Cl)c1O 4658819 VJARRKZORKXJJM-OQLLNIDSSA-N 374.849 4.254 30 40 FIEB CC/C(C)=N\N=C1/N=C(O)[C@@H](CC(=O)Nc2ccc(F)c(Cl)c2)S1 6995670 BXLPDKHHFBQWTD-JPTRRLIOSA-N 370.837 4.022 30 40 FIEB CC[C@@H](C)c1ccc(NC(=O)c2sc3nc(N)c(C#N)cc3c2N)cc1 19852174 CFESOOPENHTZDM-SNVBAGLBSA-N 365.462 4.098 30 40 FIEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccccc1C 20633185 LGEYFPGIMGBWLE-FQEVSTJZSA-N 359.429 4.363 30 40 FIEB N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(F)cc2F)cn1 32915375 VLZJYDNLBOJWQU-UHFFFAOYSA-N 351.312 4.276 30 40 FIEB Cc1cc(-c2cc(C)c(OC[C@H]3CO3)c(C)c2)cc(C)c1OC[C@H]1CO1 83406941 HRSLYNJTMYIRHM-WOJBJXKFSA-N 354.446 4.142 30 40 FIEB Cc1nc(COc2ccc(/C=C3/Sc4ccccc4C3=O)cc2)no1 96035431 PMJKVCDLQDAFSB-LICLKQGHSA-N 350.399 4.287 30 40 FIEB CCCCCCCCNC(=O)C(=O)Nc1ccc(Br)cc1C 408708672 KKTLVXCHDOOKID-UHFFFAOYSA-N 369.303 4.173 30 40 FIEB CCOc1ccc2nc(SCC(=O)OC3CCCCC3)c(C#N)cc2c1 907387 CBNJMGILKUEVBC-UHFFFAOYSA-N 370.474 4.473 30 40 FIEB O=C(/C=C/N(c1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1 1958055 JJUVZDOCOOFVFX-WUKNDPDISA-N 363.438 4.279 30 40 FIEB COc1ccc(/C=N/OCc2ccc(Br)cc2)c(OC)c1 3319795 ADYAMBMEPOISLD-VCHYOVAHSA-N 350.212 4.017 30 40 FIEB CCOc1cccc(/C=C/C(=O)c2ccc3c(c2)OCCCO3)c1OC 7717249 LXTDJPZSGCZVID-CSKARUKUSA-N 354.402 4.151 30 40 FIEB C=CCn1c(SCc2nc3ccccc3s2)nnc1-c1ccncc1 6905121 VIHYBQRMIQFPFD-UHFFFAOYSA-N 365.487 4.428 30 40 FIEB Cc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1ccccc1 9329539 RQPISYZBHZZSAV-KKSFZXQISA-N 356.429 4.002 30 40 FIEB COc1ccccc1Nc1nc2sc(C(=O)N[C@@H](C)CC#N)cc2s1 95350456 UGMGPQIKSCRYSE-JTQLQIEISA-N 372.475 4.142 30 40 FIEB CCOc1ccc(Br)cc1/C=C1\C(=O)ON=C1c1ccccc1 409078776 IDCCRGHJEIPBHM-PTNGSMBKSA-N 372.218 4.192 30 40 FIEB N#Cc1ccc(C[C@@H](C#N)C(=O)N2CC3(CCCC3)c3cccc(F)c32)cc1 619311675 BNCZRQSMQRSXEP-SFHVURJKSA-N 373.431 4.238 30 40 FIEB C=CCSc1nnc(NC(=O)CSCc2ccccc2Cl)s1 18081311 LCGFYVJWDKIKEH-UHFFFAOYSA-N 371.940 4.342 30 40 FIEB N#Cc1c(-c2ccc3c(c2)OCO3)cc(-c2ccc3ccccc3c2)[nH]c1=O 13920359 IIHFJWYRMVYAKK-UHFFFAOYSA-N 366.376 4.462 30 40 FIEB CCN(CC)CCOc1ccccc1O/C(=C/c1ccccc1)C(C)=O 538552 RQLBJLHRLMDUGQ-OQKWZONESA-N 353.462 4.416 30 40 FIEB in-man Cc1cccc(C(=O)Nc2sc3c(c2C#N)CC(C)(C)NC3(C)C)c1 784683 LATKHACFNHRIMY-UHFFFAOYSA-N 353.491 4.340 30 40 FIEB CCC[C@@H]1S/C(=N\N=C\c2ccco2)N(Cc2ccccc2C)C1=O 2351983 BUDBDFURVCPBJC-BUDGLOEYSA-N 355.463 4.222 30 40 FIEB CC(=O)C1=C(Nc2ccccc2)C[C@@](C)(O)[C@@H](C(C)=O)[C@@H]1c1ccccc1 4794764 FEAUWCGFLYHOEV-XPWALMASSA-N 363.457 4.085 30 40 FIEB CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O 5139171 PMVVECUBVUVKOR-WQRHYEAKSA-N 355.365 4.283 30 40 FIEB C=CCOc1ccc(/C=C/C(=O)Nc2cccc3cccnc23)cc1OC 12568846 KFVLMJZHZNJUDB-ZRDIBKRKSA-N 360.413 4.460 30 40 FIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCCc4ccccc4)[C@H]3C[C@@H]12 12659767 VGHVAFRCSSCDCV-DLBZZEGUSA-N 353.506 4.133 30 40 FIEB biogenic CSc1nc(NCCN(C)C)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 19820333 QVCBHYUSXHPAIT-UHFFFAOYSA-N 369.538 4.008 30 40 FIEB CCCCOc1ccc(C(=O)O/N=C2\CCc3cc(OC)ccc32)cc1 32116456 BKFVWOPGCXTIAE-LSDHQDQOSA-N 353.418 4.381 30 40 FIEB Cc1ccc(C)c2c1/C(=N/O)C(=O)N2CCOc1ccc2ccccc2c1 46085246 BWYNBAXRMFITMD-ATJXCDBQSA-N 360.413 4.061 30 40 FIEB O=C1/C(=N\O)c2cc(Cl)ccc2N1CCOc1ccc2ccccc2c1 101102035 UKNUYOLOFNRBMU-QOCHGBHMSA-N 366.804 4.097 30 40 FIEB Cc1ccc(CN2C(=O)S/C(=C\c3ccc(OCC#N)cc3)C2=O)cc1 106701217 MLHRQCVHPOSFTB-PDGQHHTCSA-N 364.426 4.134 30 40 FIEB CCOc1ccc(N=C2NC(=O)/C(=C/c3ccc(OC)cc3C)S2)cc1 408742453 RAMFLUKVXGYWEV-PDGQHHTCSA-N 368.458 4.294 30 40 FIEB C/N=C1/S/C(=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)C(=O)N1C 408843957 GGLOOQXWXLHSED-HVEIJDALSA-N 353.491 4.243 30 40 FIEB COc1cc(C)c(/C=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1C(C)C 408849754 YPEXHDPRECYIPO-GRSHGNNSSA-N 372.381 4.389 30 40 FIEB C=CCc1cc(C=O)cc(OCC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409089519 JKBXHKORWKHXDY-UHFFFAOYSA-N 372.333 4.235 30 40 FIEB C#CCOc1c(CC=C)cc(CNc2ccc(OCC)cc2)cc1OC 409119677 UAQXDDVNTHHMLX-UHFFFAOYSA-N 351.446 4.447 30 40 FIEB COc1ccc(/N=C\c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1 100349887 XYEHUUHREFTAHE-HAHDFKILSA-N 360.413 4.463 30 40 FIEB C#CCn1/c(=N/C(=O)c2ccc(C#N)cc2)sc2c3ccccc3ccc21 100910033 ULLFXVPMSQJAAS-GYHWCHFESA-N 367.433 4.102 30 40 FIEB CCOC(=O)c1sc(NC(=O)/C=C/c2cccc(Cl)c2)c(C#N)c1C 1961991 CWRQIVFQIUNADS-BQYQJAHWSA-N 374.849 4.410 30 40 FIEB C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H](C)n1cnc2ccccc21 65453232 RTEQREYDHQIURS-GJZGRUSLSA-N 364.474 4.488 30 40 FIEB N#Cc1ccccc1CSc1nnc(-c2ccncc2)n1-c1ccccc1 4676982 ONAIDIQCLFKGRV-UHFFFAOYSA-N 369.453 4.493 30 40 FIEB Cn1cc(C(=O)/C=C/c2ccc(COc3ccc(F)c(Cl)c3)o2)cn1 6925517 OJSZCNGNUAUKEV-FNORWQNLSA-N 360.772 4.281 30 40 FIEB C/N=C1/S/C(=C\c2cc(Cl)ccc2OCc2ccccc2)C(=O)N1C 408977584 XKRDSTBLKYYSQP-BBNBJWFKSA-N 372.877 4.451 30 40 FIEB COc1ccc(/C=C/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc1 408960334 DZWWMEVGQLDMLU-GFJWLWTISA-N 354.406 4.282 30 40 FIEB N#Cc1ccccc1CSc1nnc(Cc2cccs2)n1C1CC1 5231496 LSWOJUHVBOTSEW-UHFFFAOYSA-N 352.488 4.429 30 40 FIEB Cc1cccc2c1N=C(O)/C2=N\NC(=S)Nc1cccc(Cl)c1C 14129737 BVCUAWGTUARNEJ-UHFFFAOYSA-N 358.854 4.249 30 40 FIEB C#CCN1C(=O)S/C(=C\c2ccccc2OCc2ccc(C)cc2)C1=O 15012777 YWUIPFPTTQIPAO-UYRXBGFRSA-N 363.438 4.244 30 40 FIEB N#Cc1cc2c(nc1SCC(=O)Nc1ccc(F)cc1)CCCCCC2 803780 IQWKCMMFSSGVMO-UHFFFAOYSA-N 369.465 4.482 30 40 FIEB CCOC(=O)C1=C(C)N(C)C2=C(C(=O)c3ccccc32)[C@H]1c1ccccc1 988620 YYWVTBYSLLUBIH-IBGZPJMESA-N 359.425 4.160 30 40 FIEB Cc1ccc(S(=O)(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1 1083948 KYWWNXUTRFGJIY-UDWIEESQSA-N 374.849 4.221 30 40 FIEB C=CCn1c(C)cc(C(=O)CSc2nnc(Cc3ccccc3)o2)c1C 3430432 KTUBBMAWJMTAIJ-UHFFFAOYSA-N 367.474 4.240 30 40 FIEB Cn1c2ccccc2c2nnc(N/N=C/c3c(Cl)cccc3Cl)nc21 4619094 SWTMSJGXBLVSDI-AWQFTUOYSA-N 371.231 4.269 30 40 FIEB C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2)nnc1-c1ccoc1C 6911446 SMUCIMMLOWBERP-AWEZNQCLSA-N 368.462 4.152 30 40 FIEB Cc1nc2nc(SCc3ccc(C#N)cc3)[nH]c2cc1Br 6933520 NMHBAHXFUPJIDR-UHFFFAOYSA-N 359.252 4.193 30 40 FIEB C=CCNC(=O)[C@@H](C)Sc1ncnc2scc(-c3ccc(C)cc3)c12 7822085 FCGMSLMIYDMLDT-CYBMUJFWSA-N 369.515 4.450 30 40 FIEB Cc1cccc(N(Cc2ccccc2)C(=O)COc2ccccc2C#N)c1 23143029 FTRLIPUAHKUFQO-UHFFFAOYSA-N 356.425 4.479 30 40 FIEB N#Cc1c(OCc2cccc(Cl)c2)nn(Cc2ccccc2Cl)c1N 225839702 ZINASSBFTHFBGS-UHFFFAOYSA-N 373.243 4.271 30 40 FIEB C/N=C1\S/C(=C\c2cccn2-c2cccc(C(F)(F)F)c2)C(=O)N1C 408932103 UBQHPEFOFQOPPB-JPOGNWIISA-N 365.380 4.028 30 40 FIEB CCN1C(=O)[C@@H](Cc2ccc(C)cc2)S/C1=N/c1ccc(OC)cc1 409146870 VIJWPYHHBQENAV-PNBGARPFSA-N 354.475 4.198 30 40 FIEB Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccccc2)c1 1431194 DCTKZDDAXOIRCS-LJQANCHMSA-N 359.381 4.371 30 40 FIEB CC1(C)[C@H]2CC[C@]1(C)[C@@H](OCC[N+](C)(C)CC(=O)OCc1ccccc1)C2 2280180 WWSFBZLUMRJQDA-SXWKCWPCSA-N 374.545 4.038 30 40 FIEB C=CCOC(=O)COc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1 2552314 NWQYAGRLWPWWEC-UHFFFAOYSA-N 370.788 4.221 30 40 FIEB biogenic CCOC(=O)[C@H]1C(=O)C=C(c2cccs2)C[C@H]1c1ccccc1OC 4918740 JRIWEFZFRLJMDT-HNAYVOBHSA-N 356.443 4.076 30 40 FIEB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc(C#Cc2ccccn2)c1 12536760 PFVBLODOHUZHII-ACCUITESSA-N 369.380 4.042 30 40 FIEB C=C(C)COc1ccc2c(c1)O/C(=C\c1cc(OC)ccc1OC)C2=O 12662952 ARHQQKZBZHCVPH-JMIUGGIZSA-N 352.386 4.275 30 40 FIEB biogenic COc1ccc2ccccc2c1/C=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 17173894 QUVMDRRGTXDHRW-ODLFYWEKSA-N 366.333 4.111 30 40 FIEB N#Cc1cccnc1N1CCC(c2ncc(-c3ccc(F)c(F)c3)[nH]2)CC1 58956154 JSHBGJRWMSJMIF-UHFFFAOYSA-N 365.387 4.006 30 40 FIEB Cc1cc(C)c2cc(C#N)c(SCC(=O)N3CCc4ccccc43)nc2c1 1354332 VQUSLESEEWAOPD-UHFFFAOYSA-N 373.481 4.405 30 40 FIEB O=[N+]([O-])c1ccc2c(/C=N/c3ccc(Br)cn3)c(O)ccc2c1 1883784 LRYMEAXUMWVDPB-DJKKODMXSA-N 372.178 4.362 30 40 FIEB O=C(OCC#CCSc1nc2ccccc2s1)c1ccc(F)cc1 2237271 SMRGKFFOGMCPIA-UHFFFAOYSA-N 357.431 4.388 30 40 FIEB C=C(Cl)COc1ccc2c(C)c(CCC(=O)OCC)c(=O)oc2c1C 2381154 YOKYDMWSASIKGE-UHFFFAOYSA-N 364.825 4.037 30 40 FIEB CC(C)Cn1c(SCC(=O)Nc2sccc2C#N)nc2ccccc21 3358184 PUWCGWJBMLWIHU-UHFFFAOYSA-N 370.503 4.356 30 40 FIEB CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 3881640 URXWVWVPMJSAJD-KOORYGTMSA-N 370.489 4.185 30 40 FIEB biogenic,fda C=CCn1c(-c2ccccc2)cs/c1=N\c1ccc(O)c(C(=O)O)c1 5123996 YGHUXWNCOHTVCV-VXPUYCOJSA-N 352.415 4.039 30 40 FIEB COc1cc(/C=N/O)c(Br)cc1OCc1ccc(Cl)cc1 6145522 SKLTVUNHIZVMMH-QGMBQPNBSA-N 370.630 4.498 30 40 FIEB C[C@@H](NC(=O)COc1ccc(C#N)cc1Cl)c1cc2ccccc2o1 7858018 LOBORPBOBBVFJY-GFCCVEGCSA-N 354.793 4.214 30 40 FIEB CC/N=c1\scc(-c2cc(OC)ccc2OC)n1/N=C/c1ccsc1 12659361 ANWMXRYSUOQANP-VZIMSOPNSA-N 373.503 4.098 30 40 FIEB C=CCSc1nnc(NC(=O)[C@@H](C)Sc2ccc(C)cc2)s1 19165312 FEKDQMPYGVVCTJ-LLVKDONJSA-N 351.522 4.244 30 40 FIEB C=CC[C@@](O)(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F 100048604 SZUVYWQIDARZII-BYPYZUCNSA-N 358.122 4.324 30 40 FIEB COc1ccc(Cl)cc1/C=C1\SC(=N)[C@H](c2nccs2)C1=O 137757015 SOFXXEIBNKUFMQ-LVUZNEBMSA-N 350.852 4.223 30 40 FIEB C=CCOc1ccc(NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1 408623277 FDRLAUVXHDNQRS-UHFFFAOYSA-N 358.397 4.004 30 40 FIEB CCCCNC(=S)N/N=C/c1ccc(N(CC)Cc2ccccc2)cc1 3269585 JYSUFKLJJVXMSL-XQNSMLJCSA-N 368.550 4.311 30 40 FIEB CCSc1nc2n(n1)[C@@H](c1ccc(SC)cc1)C1=C(CCCC1=O)N2 4436151 SIYRNGZYYLZIEM-INIZCTEOSA-N 372.519 4.134 30 40 FIEB Cc1cc(C)c(C#N)c(S[C@@H](C)C(=O)Nc2ccc(F)c(F)c2F)n1 5642892 ZMLBDVZUBCRCLA-JTQLQIEISA-N 365.380 4.107 30 40 FIEB CCN1CC[C@](O)(/C=C/c2ccccc2)[C@H](C(=O)/C=C/c2ccccc2)C1 5765420 ZXMJHHNQOAEYKW-LCFJVVSLSA-N 361.485 4.055 30 40 FIEB Cc1nn(-c2ccccc2)c(C)c1/C=N/Nc1c(F)c(F)cc(F)c1F 6932180 WNVOLGGEQNHGNN-NUGSKGIGSA-N 362.330 4.492 30 40 FIEB CCOc1cc(/C=N\O)cc(Br)c1OCc1ccc(F)cc1 11862115 LBUQMXVLVRTBSP-OCKHKDLRSA-N 368.202 4.374 30 40 FIEB CSc1nnc(C)n1/N=C/c1ccc(COc2ccc(Cl)cc2)o1 36611491 MNOPZGHUKDMRKW-GIJQJNRQSA-N 362.842 4.016 30 40 FIEB COc1cccc(/N=C/c2c(C)c(C#N)c3nc4ccccc4n3c2O)c1 100164326 VKHAHCTXDHRGQQ-FSJBWODESA-N 356.385 4.132 30 40 FIEB COc1ccc2c(c1)CCC[C@H]2NC(=S)Nc1ccc(CC#N)cc1 225703156 OEAAVKBAOIVLER-LJQANCHMSA-N 351.475 4.125 30 40 FIEB CCOc1ccccc1/N=C\c1ccccc1I 408553133 XSUHTBKBDWMYPW-BOPFTXTBSA-N 351.187 4.441 30 40 FIEB COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2cc(Cl)ccc2O)S1 408855255 AYGNSZMBKYBWIG-SXGWCWSVSA-N 374.849 4.254 30 40 FIEB COc1cc(N2CCCC2)c(OC)cc1/C=N\c1ccc(Cl)cc1O 409095064 BDKZIPNYXKBPKT-MTJSOVHGSA-N 360.841 4.414 30 40 FIEB CCOc1ccc(/C=N\n2c(C3CCCCC3)n[nH]c2=S)cc1OC 1475375 CEAFSWQAMYWBDV-UNOMPAQXSA-N 360.483 4.278 30 40 FIEB C=CCOc1ccc(NC(=O)C2CCN(Cc3ccccc3)CC2)cc1 9062846 CKAIDBDIIJVWSO-UHFFFAOYSA-N 350.462 4.102 30 40 FIEB Clc1ccc(CN/N=C/c2cccc(I)c2)cc1 10118830 JADZQTSBADUKJY-VCHYOVAHSA-N 370.621 4.068 30 40 FIEB N#C[C@@H](C(=O)CSc1ccccn1)c1nc(-c2ccccc2)cs1 26015932 DOSRQAQKMGVYDK-AWEZNQCLSA-N 351.456 4.174 30 40 FIEB C[C@@H]1CCCN(Cc2ccc(NC(=O)CCc3ccc(C#N)cc3)cc2)C1 48361860 FRONSYKXYWRHQH-GOSISDBHSA-N 361.489 4.361 30 40 FIEB C=CCn1/c(=N/C(=O)c2c(F)cccc2F)sc2cc(OCC)ccc21 100875048 VFIIECRAFWVAOK-QOCHGBHMSA-N 374.412 4.307 30 40 FIEB C=CCN1C(=O)/C(=N/N=C/c2ccccc2C(F)(F)F)c2ccccc21 101253478 ZWAHHJQJAQVRDK-NACSPRHISA-N 357.335 4.061 30 40 FIEB C/C(=N\O)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N\O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C 118917626 DAJBMKKLLJTPAS-NLLSZIHGSA-N 360.498 4.217 30 40 FIEB C=CCN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(SC)cc1 224990716 GTWYWRRTEZGODD-UHFFFAOYSA-N 355.431 4.068 30 40 FIEB C=CCOc1ccc(NC(=S)NCCN(CC)c2ccc(C)cc2)cc1 225794152 CIYSNFVRGLZQRF-UHFFFAOYSA-N 369.534 4.373 30 40 FIEB Cc1ccc(-c2nnc(S)n2N=Cc2ccc(Br)cc2)cc1 253616982 LSPMRWVVTINAFO-UHFFFAOYSA-N 373.279 4.187 30 40 FIEB O=C1CCCC2=C1[C@@H](c1cccc([N+](=O)[O-])c1)CC(=O)N2c1ccccc1 1444123 DTWBPAOBNAWQTN-QGZVFWFLSA-N 362.385 4.122 30 40 FIEB COc1ccc(OC)c(/C=C2\S/C(=N/c3cccc(O)c3)N=C2O)c1 6641996 MROVVINTKFGBFL-SXGWCWSVSA-N 356.403 4.141 30 40 FIEB N#Cc1ccc(CN2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1 22830166 KCULCIXQHUUUNX-UHFFFAOYSA-N 373.422 4.285 30 40 FIEB COc1cc(C#N)ccc1OC(=O)c1ccc(COc2ccccc2F)o1 40129780 YVHRLNZDHXFUTF-UHFFFAOYSA-N 367.332 4.097 30 40 FIEB CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2ccc(C(C)C)cc2)C1=O 98050541 CIHWLPABWSHCMH-OAQYLSRUSA-N 373.497 4.126 30 40 FIEB COc1cc(N2CCCC2)c(OC)cc1/C=N\c1ccc(C)c([N+](=O)[O-])c1 409098760 PFBOIJBOQCMVGO-BKUYFWCQSA-N 369.421 4.271 30 40 FIEB Sc1nnc(-c2ccc(Cl)cc2Cl)n1/N=C\c1cccs1 1184613 GAOINZYBICGWGN-APSNUPSMSA-N 355.275 4.484 30 40 FIEB N#Cc1ccc(-c2ccc(OCC(=O)Nc3cccnc3Cl)cc2)cc1 3357130 RXMCGWFSENDZOH-UHFFFAOYSA-N 363.804 4.291 30 40 FIEB Cc1ccc2nc(SCC(=O)Nc3nc(C)c(C)s3)c(C#N)cc2c1 4848889 OLFRZGVWPKHTRC-UHFFFAOYSA-N 368.487 4.219 30 40 FIEB CC(C)C(=O)Nc1cccc(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)c1 5841408 YOWIOHRYKWTYOQ-DJKKODMXSA-N 361.785 4.299 30 40 FIEB Cc1cc(Br)ccc1SCC(=O)Nc1cccc(C#N)c1 8115047 TVFOLYMHCJJDNU-UHFFFAOYSA-N 361.264 4.360 30 40 FIEB CCCN(CCC)Cc1c(O)ccc2c1O/C(=C\c1ccncc1)C2=O 20504032 YEPWEFSEATYNDX-UYRXBGFRSA-N 352.434 4.025 30 40 FIEB CCCOc1c(Cl)cc(/C=N/NCc2ccccc2OC)cc1OC 20763020 KEFXHMMXUMWBCV-CIAFOILYSA-N 362.857 4.270 30 40 FIEB C[C@@H](c1ccc(Cl)cc1Cl)N(C)S(=O)(=O)c1ccccc1C#N 28042981 APVGRGYLCZAUPH-NSHDSACASA-N 369.273 4.247 30 40 FIEB Cc1n[nH]c(=S)n1/N=C/c1ccccc1OCc1cccc(Cl)c1 82375079 XEDFZORQOOFPRB-VXLYETTFSA-N 358.854 4.364 30 40 FIEB CCOc1ccc(/C=N\OCC(=O)Nc2cc(C)ccc2C)cc1OCC 108248020 JHIUFDOEOHADNU-XKZIYDEJSA-N 370.449 4.090 30 40 FIEB C/N=C1\S/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)C(=O)N1C 408780117 SLOHTJDORSHKRM-XXUJCTABSA-N 359.882 4.279 30 40 FIEB N#Cc1ccsc1NC(=O)COC(=O)c1sccc1-c1ccccc1 10985804 ZVCRJCCXDWMDHZ-UHFFFAOYSA-N 368.439 4.144 30 40 FIEB COC(=O)c1ccc(/N=C/c2ccc(-c3ccc(C(=O)O)cc3C)o2)cc1 408963159 XMKHRBSICCKBDG-WSDLNYQXSA-N 363.369 4.490 30 40 FIEB Cc1ccc([C@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3[nH]nc(O)c32)s1 18200790 CFXVDCWPURRYCX-QFYYESIMSA-N 367.430 4.036 30 40 FIEB C=CCNC(=O)C1(Cc2ccccc2-c2ccc(OC)cc2)CCOCC1 12231469 CQFUGSNIRMIXTI-UHFFFAOYSA-N 365.473 4.004 30 40 FIEB CN(C)c1ccc(/C=N/c2sc3c(c2C#N)CCCC3)cc1[N+](=O)[O-] 4139758 OYZWLLDIFOWXQK-RGVLZGJSSA-N 354.435 4.223 30 40 FIEB COc1cc(/C=C/C(=O)c2ccccc2F)cc(Br)c1O 7000277 VXZCMYNLBZKFDS-VOTSOKGWSA-N 351.171 4.199 30 40 FIEB C=CCc1c(C)oc(Nc2ccc(C(=O)OCC)cc2)c(CC=C)c1=O 8062303 TXIBHCNPPDOOOL-UHFFFAOYSA-N 353.418 4.326 30 40 FIEB C=CCn1c(SCc2cn3cc(C)ccc3n2)nnc1-c1ccccc1 8710029 UROWWRDSTAHMLV-UHFFFAOYSA-N 361.474 4.380 30 40 FIEB C=C(C)CSc1nc2sc(C)c(C)c2c(=O)n1Cc1ccccn1 47170258 YRCMTHUVLXGRFT-UHFFFAOYSA-N 357.504 4.186 30 40 FIEB COc1cc(/N=C/c2ccc([N+](=O)[O-])cc2)ccc1NC(=O)c1ccco1 100384324 KRULXJDQNLALCU-UDWIEESQSA-N 365.345 4.199 30 40 FIEB O=C(/N=C1\c2ccccc2CN1c1ccc(F)cc1)c1ccc(Cl)nc1 102546416 BWYKUSZKWMJUPA-LYBHJNIJSA-N 365.795 4.481 30 40 FIEB N#Cc1c(N)nc(SCc2ccccc2F)nc1Cc1cccc(F)c1 223677314 KDTPNPAZJDJJDV-UHFFFAOYSA-N 368.412 4.092 30 40 FIEB N#Cc1cccc(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)c1 225904224 ZYACBEZCUWSCRW-KRWDZBQOSA-N 353.853 4.062 30 40 FIEB N#Cc1cn(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c2ccccc12 226362782 KINRXIFCJSZBSK-UHFFFAOYSA-N 374.400 4.100 30 40 FIEB Cc1c(C(=O)OC(C)C)sc(NC(=O)c2ccc(Cl)cc2)c1C#N 996043 ZECJHCPWPUWHRW-UHFFFAOYSA-N 362.838 4.399 30 40 FIEB N#Cc1ccccc1COc1ccc(/C=C2/SC(=S)N=C2O)cc1 2301459 JQQAVALNNZGRSV-CXUHLZMHSA-N 352.440 4.466 30 40 FIEB C=CCOc1ccc(CNCCc2c[nH]c3ccccc23)cc1OCC 5019962 UCQPTQZVHOHENE-UHFFFAOYSA-N 350.462 4.464 30 40 FIEB O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccs1)c1ccccc1 6813740 ZJSLHFQXCRQRGS-KRWDZBQOSA-N 365.410 4.120 30 40 FIEB Cc1ccsc1/C=N/n1cnc2scc(-c3cccs3)c2c1=O 6940851 FDVGPINPWIQOFU-CNHKJKLMSA-N 357.485 4.439 30 40 FIEB COc1cccc(NC(=S)N/N=C(\C)c2cccc(C(F)(F)F)c2)c1 7814866 JHZWCPIQXGRERD-SSDVNMTOSA-N 367.396 4.425 30 40 FIEB CCN(C(C)=O)c1nc(/C=C/C(=O)c2ccc(C(F)(F)F)cc2)cs1 40140024 SHGUYSCBSSXYJI-CMDGGOBGSA-N 368.380 4.431 30 40 FIEB Cc1cccc(N/N=C2\C(=O)N(C3CSC3)c3ccc(C(C)C)cc32)c1 223728305 ZGUUOVSLRAZFJF-ATJXCDBQSA-N 365.502 4.397 30 40 FIEB CNC(=S)N/N=C\c1cn(Cc2ccc3ccccc3c2)c2ccccc12 6949959 YBJCPANXHNYYAO-CFRMEGHHSA-N 372.497 4.271 30 40 FIEB O=C1C(=O)N(c2ccc(O)cc2)[C@H](c2ccccc2)/C1=C(/O)c1ccccc1 102623831 PUZNUNAVSUVFIY-GOBJLOIFSA-N 371.392 4.019 30 40 FIEB N#Cc1cn(CC(=O)Nc2ccc(Br)cc2F)c2ccccc12 51319061 NZMKOYRPRLIZNA-UHFFFAOYSA-N 372.197 4.053 30 40 FIEB N#Cc1cccc(C(=O)Nc2ccn(Cc3cccc4ccccc34)n2)c1 28303476 SYXNYSARILKAGC-UHFFFAOYSA-N 352.397 4.209 30 40 FIEB O=C1C[C@@H](c2ccc(F)cc2F)C2=C(C[C@H](c3cccs3)CC2=O)N1 6820430 FZHDZRCFOVCQPU-GWCFXTLKSA-N 359.397 4.031 30 40 FIEB CCOC(=O)c1cccc(/N=C\c2cc(Br)c(N(C)C)o2)c1 408852067 HQYIJLHRMHADLY-ZDLGFXPLSA-N 365.227 4.035 30 40 FIEB COc1ccnc(N/N=C(\C)c2ccc(Oc3ccccc3)c(F)c2)n1 98055022 NZMDPUOOCPMVRB-YDZHTSKRSA-N 352.369 4.253 30 40 FIEB CC(C)N1C(=O)/C(=C/c2ccc(C(=O)O)cc2)S/C1=N\c1ccccc1 2140080 CVGFQPNVJZOWJN-RRZDCZAYSA-N 366.442 4.397 30 40 FIEB CCOC(=O)/C(=N/Nc1ccc(Cl)cc1)N1CCCc2ccccc21 2201997 WHSVNBFBVRVAIA-PYCFMQQDSA-N 357.841 4.081 30 40 FIEB C=CCOc1cc(Cl)c(C=C2C(=O)c3ccccc3C2=O)cc1OC 2799606 MNVXNCXOCQUTDP-UHFFFAOYSA-N 354.789 4.376 30 40 FIEB C=CCn1c(SCC(=O)c2cccs2)nnc1-c1cccc(OC)c1 4076932 UJQFXRIIFNMJQR-UHFFFAOYSA-N 371.487 4.176 30 40 FIEB Cc1ccc(-c2nnc(S)n2/N=C\c2cccc(Br)c2)cc1 6032884 IKFFOXMWTLHDCV-ZDLGFXPLSA-N 373.279 4.187 30 40 FIEB CSc1nc2n(n1)[C@@H](c1cccc(Cl)c1)C1=C(CC(C)(C)CC1=O)N2 6677833 CFGVPMYXISUWMY-HNNXBMFYSA-N 374.897 4.312 30 40 FIEB Cc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1ccccc1F 9108628 MRQMQGDGZIRULF-SPLOXXLWSA-N 374.419 4.141 30 40 FIEB C=CCOc1c(CN2CCC(O)(c3ccc(C)cc3)CC2)cccc1OC 12344863 NLQVTLFEEUJNHX-UHFFFAOYSA-N 367.489 4.052 30 40 FIEB C=CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 19087677 RVRSRYQALGGGKP-KRWDZBQOSA-N 353.805 4.104 30 40 FIEB COc1cc(CN(C)C[C@@H](C#N)CCC#N)ccc1OCc1ccccc1 32735893 SCBSWIRQMJVJSM-HXUWFJFHSA-N 363.461 4.150 30 40 FIEB CCN(CC)[C@H](CNC(=O)Nc1ccc(C#N)cc1)c1ccccc1Cl 32779399 WIIHNDNULWCDMJ-LJQANCHMSA-N 370.884 4.416 30 40 FIEB Cn1cc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccccc2)cn1 72039193 ULZPZDOMBLULFG-OUKQBFOZSA-N 354.413 4.169 30 40 FIEB C=CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccc(C(C)C)cc1 101231773 CEIVPTXSKWMZCV-YDJIHCHBSA-N 361.441 4.418 30 40 FIEB CC(=O)Oc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)c(C#N)c1 225756328 RJXWXNLRNRIIOC-UHFFFAOYSA-N 362.429 4.324 30 40 FIEB Cn1cc([C@@H]2CCCN2/C(O)=N/[C@@H]2CC=C(c3ccc(F)cc3)CC2)cn1 329286228 ORHDKCVZDRNTLK-UXHICEINSA-N 368.456 4.246 30 40 FIEB Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2ccc(C(=O)O)cc2)S1 408885197 YHMXRLHYGORXRW-DHDCSXOGSA-N 372.833 4.238 30 40 FIEB Cc1cc(OC[C@@H]2CCCN(c3cc(C#N)c4ccccc4n3)C2)ccn1 1775970602 GRKHBPNEKPNWQR-QGZVFWFLSA-N 358.445 4.105 30 40 FIEB C=C(C)C/N=C1\NN=C(c2cc(C)n(-c3ccc(C)cc3)c2C)CS1 5693752 POAIITJVVWBROG-UHFFFAOYSA-N 352.507 4.375 30 40 FIEB COC(=O)c1ccccc1-c1ccc(/C=N/Nc2nc3ccccc3[nH]2)o1 7738689 GFWNLCOHXJTIAJ-CIAFOILYSA-N 360.373 4.056 30 40 FIEB COc1cc(/C(C)=N/Nc2cc(C)nc(C)n2)ccc1SC(F)F 58198431 SYRFSLHEDDCGIG-UFFVCSGVSA-N 352.410 4.253 30 40 FIEB Cc1c(C(=O)N(C)C2(C#N)CCC2)sc2nc(C(F)(F)F)ccc12 65513440 HUHXHBMPKJJUKN-UHFFFAOYSA-N 353.369 4.142 30 40 FIEB CCOC(=O)c1c(C)oc2c1/C(=C/Nc1ccncc1)C(=O)c1ccccc1-2 103788434 ZAWJNXUDDKHCEE-ATVHPVEESA-N 374.396 4.476 30 40 FIEB C=CCOc1ccc(Br)cc1C(=S)N1CCC(C)CC1 108023513 JRMNXADRNGAKJR-UHFFFAOYSA-N 354.313 4.421 30 40 FIEB N#Cc1c(N)nc(SCc2cccc(F)c2)nc1Cc1ccc(F)cc1 223679322 MTRIYHKGZWWPIH-UHFFFAOYSA-N 368.412 4.092 30 40 FIEB CCOc1cc(Cl)c(/C=N/c2ccc(N3CCOCC3)cc2)cc1OC 408932375 WJEDTKZZPZPEMU-HYARGMPZSA-N 374.868 4.335 30 40 FIEB CC(C)(NC(=O)c1cn(CCCCC#N)c2ncccc12)c1ccccc1 1775953755 DYPZVGXELGJCHD-UHFFFAOYSA-N 360.461 4.395 30 40 FIEB in-vitro Cc1cc(OCc2nnc(SCC#N)n2-c2ccccc2)ccc1Cl 4125121 PHTMPSPICAHUIW-UHFFFAOYSA-N 370.865 4.424 30 40 FIEB CCOc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1OCC 4662538 BMKGRDLUOVNYLS-CJLVFECKSA-N 354.450 4.071 30 40 FIEB Oc1ccccc1/C=N\NC(=S)Nc1cccc2cc3ccccc3nc12 4707234 JPBICJSUJBVKIM-XKZIYDEJSA-N 372.453 4.414 30 40 FIEB CCCCCCCNC(=O)c1cccc(C(=O)NCCCCCCC)n1 8443786 XNNKXRUWVPQHEJ-UHFFFAOYSA-N 361.530 4.482 30 40 FIEB C[C@H](SCc1ccc(C#N)cc1)c1nc(N)nc(Nc2ccccc2)n1 12741247 GPXPVJIVGMEMTC-ZDUSSCGKSA-N 362.462 4.063 30 40 FIEB COc1cc2c(cc1OC)-c1cc(-c3ccc(C)cc3)c(C#N)c(=N)n1CC2 101342426 AWXPJXURZOFWCQ-UHFFFAOYSA-N 371.440 4.055 30 40 FIEB biogenic CC(=O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CCC(=O)C=C1C[C@H]3N1CC1 118917662 FNKWWXZAIWNFFS-HKKOPPDYSA-N 355.522 4.018 30 40 FIEB C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1 224684233 VUCUZQYFMBQBGL-UHFFFAOYSA-N 355.381 4.395 30 40 FIEB O=[N+]([O-])c1cccc(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1 1565673173 KJCRHJYZXKDREF-UHFFFAOYSA-N 353.165 4.145 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2cccs2)C[C@@H]1c1ccccc1OCC 4918887 MYJCZPVVTISDHE-OXQOHEQNSA-N 370.470 4.466 30 40 FIEB CC(CNC(=O)COc1ccc(C#N)cc1)(c1ccccc1)c1ccccc1 12924048 ZFLUHKKTXOGYOC-UHFFFAOYSA-N 370.452 4.059 30 40 FIEB COc1ccc([C@H]2CCCN2C/C(O)=N/c2nnc(C(C)(C)C)s2)cc1 19715453 BJWVKAWCKOLCQL-OAHLLOKOSA-N 374.510 4.269 30 40 FIEB COc1cc(/C=C2/CCOc3c(C)cccc3C2=O)cc(OC)c1OC 98004198 CTXNDXNMBWTMHB-GDNBJRDFSA-N 354.402 4.070 30 40 FIEB C=CCc1cc(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)ccc1OC 218657044 NSMNJDKZVGPJND-SFHVURJKSA-N 351.446 4.456 30 40 FIEB Cc1ccc2[nH]c3c(=O)n(/N=C/c4ccc(Cl)cc4Cl)cnc3c2c1 2269529 VOOIRYLUECUBQZ-GZIVZEMBSA-N 371.227 4.375 30 40 FIEB S=C(NCc1ccccc1)N/N=C\c1ccc(Sc2ccccc2)o1 4655968 KAFYRBQKOZKKRY-STZFKDTASA-N 367.499 4.429 30 40 FIEB COc1cc(/C=N/c2ccccc2)cc(I)c1OC 8110055 DGPGZWVKMKQTOC-LICLKQGHSA-N 367.186 4.059 30 40 FIEB O=C(CNc1cccc(C#Cc2cccs2)c1)N1CCc2ccccc2C1 12539390 AHQUIFXVXOUULC-UHFFFAOYSA-N 372.493 4.145 30 40 FIEB O=C(/C(=N\N=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1)c1ccccc1 16955376 XPODGHDVKKAUQP-OSPUTLNHSA-N 357.369 4.301 30 40 FIEB Cc1nn(-c2ccccc2)c(CSc2ncnc3ccsc23)c1C#N 25078635 UOTYPCZGVMVMJU-UHFFFAOYSA-N 363.471 4.349 30 40 FIEB CC1=NN(c2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)cc2)CC1 48824470 WPXBHIIYPPAGEP-MRXNPFEDSA-N 360.442 4.372 30 40 FIEB O=C(O)c1ccc(/C=C2/CCOc3ccc(Br)cc3C2=O)cc1 96942151 INVXEHGPVCADMX-LCYFTJDESA-N 373.202 4.196 30 40 FIEB N#C[C@H]1[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(Cl)c1 218621670 QWNZNSFWGKGFRE-OWCLPIDISA-N 352.242 4.073 30 40 FIEB C=CCOc1cccc(NC(=S)N[C@H](C)COc2ccc(C)cc2)c1 225643018 QRQVAGDVQKQGPQ-MRXNPFEDSA-N 356.491 4.314 30 40 FIEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)o1 408960801 OESZVSUEPRAJAQ-RGVLZGJSSA-N 365.345 4.307 30 40 FIEB Cc1ccc(CN2CCC[C@@H]2c2cccc(Nc3ccc(C#N)nc3)n2)o1 585294392 DQQMIRKBWDEPTA-HXUWFJFHSA-N 359.433 4.330 30 40 FIEB CC(C)(C)c1cc(NC(=O)C[C@H](n2cccn2)C(F)(F)F)c(C#N)s1 598825485 JMIHMXVHXZGPND-LBPRGKRZSA-N 370.400 4.246 30 40 FIEB CCc1ccc(/N=C2\S/C(=C/c3ccc4c(c3)OCO4)C(=O)N2C)cc1 1015100 ASICOCAUNYMKFH-QFAYSNGYSA-N 366.442 4.212 30 40 FIEB CC(C)OC(=O)CSc1nc2c(c([C@@H]3CC=CCC3)c1C#N)CCC2 1087739 BYJMITRGJOUKAS-CQSZACIVSA-N 356.491 4.309 30 40 FIEB CCCCCN1/C(=C/c2ccccc2)C(=O)c2ccccc2S1(=O)=O 5274933 JNXBXHNYKIMSGA-OBGWFSINSA-N 355.459 4.105 30 40 FIEB CC(=O)N1C(=O)/C(=N\c2ccc(C)c(C)c2)c2cc(Br)ccc21 5546617 WGIBFBSVRFVMCQ-JZJYNLBNSA-N 371.234 4.080 30 40 FIEB N#Cc1ccsc1NC(=O)CSc1nc2ccccc2n1C(F)F 12531792 DWBBLSLSGZYLJO-UHFFFAOYSA-N 364.402 4.095 30 40 FIEB N#Cc1ccc(Cc2cnc(NC(=O)c3cc(F)ccc3F)s2)cc1 12758130 VLHHCJRDYDOOBE-UHFFFAOYSA-N 355.369 4.136 30 40 FIEB N#C[C@H](NCc1cccc(CN[C@@H](C#N)c2ccccc2)c1)c1ccccc1 31870882 GDUKSZNPUNHGQE-ZEQRLZLVSA-N 366.468 4.396 30 40 FIEB O=C1/C(=C/c2ccco2)Oc2c1ccc1c2CN(CCc2ccccc2)CO1 32502558 ZXDBIQBDRQCAJY-BKUYFWCQSA-N 373.408 4.290 30 40 FIEB C=CCSc1ccccc1C(=O)N(C)Cc1nc(-c2ccccc2)no1 219819383 SWKQPHCSYVOTTJ-UHFFFAOYSA-N 365.458 4.287 30 40 FIEB Cc1ccc(S(=O)(=O)/N=C(\O)COc2ccc(Cl)cc2Cl)cc1 849570 DFJMKIRLUTYLMN-UHFFFAOYSA-N 374.245 4.026 30 40 FIEB COc1ccc(CC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1OC 894732 PUQRYNOIWFQEQX-UHFFFAOYSA-N 370.474 4.087 30 40 FIEB N#Cc1nn(-c2ccc(Cl)cc2)c(=O)cc1Nc1ccc(Cl)cc1 1385312 YCBNPXLOCROFCZ-UHFFFAOYSA-N 357.200 4.155 30 40 FIEB CCOc1cc(C(=O)Nc2cccc(C#N)c2)cc(OCC)c1OCC 2662469 DQRMUZSWWCIJTI-UHFFFAOYSA-N 354.406 4.007 30 40 FIEB O=C(C/C=N/OCc1cnc(Cl)s1)c1ccc(Br)cc1 4013637 OBUPXHRXAIZYQU-UBKPWBPPSA-N 373.659 4.334 30 40 FIEB N#Cc1c(NC(=O)CN2CCC[C@@H]2c2cccs2)sc2c1CCCC2 8320738 DQZNAOLIAAGNLE-OAHLLOKOSA-N 371.531 4.336 30 40 FIEB C=CCN1C(=O)c2ccccc2N[C@@H]1c1cc(Cl)c2c(c1)OCCCO2 9218932 FWPZHLHRSKMCJN-IBGZPJMESA-N 370.836 4.254 30 40 FIEB Cc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc2c(c1)OCO2 12406360 WXTXDZFNBXVIQR-AIKVESQPSA-N 362.429 4.477 30 40 FIEB C=CCNc1oc(-c2cccc(C)c2)nc1S(=O)(=O)c1ccccc1 12419223 LYBOMSIVMPEHEZ-UHFFFAOYSA-N 354.431 4.081 30 40 FIEB C=CCSc1nc2ccccc2n1CC(=O)Nc1cccc(C(C)=O)c1 12563530 IWOMSXCAIONELR-UHFFFAOYSA-N 365.458 4.156 30 40 FIEB CCOc1ccc(CN(C)/C(S)=N\CCc2ccccc2)cc1OC 13656236 IAQHCQKWXISGCP-UHFFFAOYSA-N 358.507 4.054 30 40 FIEB CCOC(=O)C/C(=N/Nc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 16682228 PEFZAIPVPVWSSC-RGEXLXHISA-N 361.785 4.018 30 40 FIEB C/N=C1\S/C(=C\c2cc3c(cc2C)N(C)C(C)(C)C=C3C)C(=O)N1C 208453193 WIHXXAGUKVKDBZ-HDRGVUIASA-N 355.507 4.159 30 40 FIEB CC1(C)COc2ccc(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2OC1 225371684 PUGFYFVGHXAHCU-WEVVVXLNSA-N 353.374 4.288 30 40 FIEB N#Cc1cn(C(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c2ccccc12 226361872 CTWLIWYDIZUXPY-UHFFFAOYSA-N 357.325 4.370 30 40 FIEB COc1ccc(/N=C\c2cc([N+](=O)[O-])ccc2Sc2ncccn2)cc1 409119965 RLAYHHQPCJCFNL-MTJSOVHGSA-N 366.402 4.295 30 40 FIEB C=CCn1c(SCc2ccc(C#N)cc2)nnc1-c1ccc(F)cc1 2329799 WEUVZVOYZPHUIK-UHFFFAOYSA-N 350.422 4.434 30 40 FIEB CCSc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C1=C(CCCC1=O)N2 4436134 OIYBQEDEMLKQRG-OAHLLOKOSA-N 360.870 4.066 30 40 FIEB CCSc1nc2n(n1)[C@H](c1cccc(Cl)c1)C1=C(CCCC1=O)N2 4436165 IWQBNYVGBHCUCQ-OAHLLOKOSA-N 360.870 4.066 30 40 FIEB C=CCN1C(=O)/C(=C/c2c(C)cn(-c3ccccc3)c2C)SC1=S 4798179 KZGLQZFCQOMMRS-BOPFTXTBSA-N 354.500 4.481 30 40 FIEB C=CCN(CC=C)Cc1c(O)ccc2oc(C)c(C(=O)NC3CCCC3)c12 5182770 YOHDJYMXYQYNRW-UHFFFAOYSA-N 368.477 4.293 30 40 FIEB O=C(NC1CCCCC1)c1ccsc1/N=C/c1cc([N+](=O)[O-])ccc1O 6413911 MPBSTBYTMAZEES-YBFXNURJSA-N 373.434 4.175 30 40 FIEB COc1cc(/C=C/C(=O)c2ccc(OCC#N)cc2)ccc1OC(F)F 6649229 USZZVSPFTHKHFV-KRXBUXKQSA-N 359.328 4.095 30 40 FIEB C=CCn1c(SCc2cc(-c3ccco3)on2)nc2sccc2c1=O 9364169 UOZBZOXIGBOJCQ-UHFFFAOYSA-N 371.443 4.184 30 40 FIEB O=C1N/C(=N/c2cccc3ccccc23)S/C1=C\c1ccc2c(c1)OCO2 12032568 GYRWUAHSRCKZIJ-ODLFYWEKSA-N 374.421 4.460 30 40 FIEB N#Cc1c(COC(=O)CCCSc2ccccc2)cn2ccccc12 40039875 QQDQNINQJLFQAC-UHFFFAOYSA-N 350.443 4.427 30 40 FIEB CN1/C(=C\C(=O)CSC[C@H](O)c2ccccc2)C(C)(C)c2ccccc21 65489697 DIVCPJBAABHJNV-GAASDFDMSA-N 367.514 4.334 30 40 FIEB CN(NC1=CC(=O)C[C@H](c2ccccc2)C1)c1ccc(C(F)(F)F)cn1 100946620 CPRSANMVLSEPGD-CQSZACIVSA-N 361.367 4.072 30 40 FIEB N#Cc1c(N)nc(SCc2ccccc2)nc1Cc1ccc(Cl)cc1 223668294 BRIBRXBTVVXNQD-UHFFFAOYSA-N 366.877 4.467 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1C 4918536 SSMJQMMCCGUIIP-CTNGQTDRSA-N 352.405 4.453 30 40 FIEB COc1ccc(C(=O)/C=C/c2cc(Br)cs2)cc1OC 5129381 FMGYUNJULISEML-SNAWJCMRSA-N 353.237 4.424 30 40 FIEB Cc1sc(NC(=O)COc2ccccc2C#N)nc1-c1ccc(F)cc1 7007145 XAYRKIOEERHXNP-UHFFFAOYSA-N 367.405 4.147 30 40 FIEB COc1ccc([C@H]2CCCCCN2C(=O)COc2ccc(C#N)cc2)cc1 8735162 SXGWEESCVOAKFR-OAQYLSRUSA-N 364.445 4.090 30 40 FIEB C=C(C)CSc1nnc(S[C@H](C)C(=O)N2CCCCCC2)s1 32774447 QEKAILOZHTYQIM-GFCCVEGCSA-N 357.570 4.090 30 40 FIEB C=CCOc1ccc(C(=O)NCCCc2ccccc2OCCC)cc1 219641837 XUPOMODKHIHKEM-UHFFFAOYSA-N 353.462 4.403 30 40 FIEB Cc1nc2sc3c(c2c(=O)n1/N=C/c1cccc(Cl)c1)CCCC3 408719572 WTVPXALQILPEEC-KEBDBYFISA-N 357.866 4.181 30 40 FIEB Cc1ccc2[nH]c(C)c(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2c1 409032589 JIQYJPWNJMWLKJ-HCDFXORVSA-N 355.257 4.499 30 40 FIEB Cc1cccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c1C 703371 XUIOIAJBMNTJHK-GFCCVEGCSA-N 354.475 4.379 30 40 FIEB Cc1nnc(C)c2c(C)n(/N=C/c3cc(Br)ccc3O)c(C)c12 842738 JNWJJUSSCCYVOR-UFWORHAWSA-N 373.254 4.015 30 40 FIEB Brc1cc(Br)c2ccccc2c1OC[C@H]1CO1 1573575 SDRYOWQNODAMIL-MRVPVSSYSA-N 358.029 4.142 30 40 FIEB Cc1ccc(/C=N/N=C2/S[C@@H](C)C(=O)N2Cc2ccc(F)cc2)c(C)c1 4935923 XMKWKFDLZXGMOH-AXIJFBNZSA-N 369.465 4.297 30 40 FIEB N#C[C@@H](C(=O)c1cccc2[nH]ncc12)c1nc2cc(Cl)ccc2s1 71810552 KZWDULUXZICKHP-NSHDSACASA-N 352.806 4.316 30 40 FIEB CCCCc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(O)c(O)c3)S2)cc1 110701097 IJLHOSHAUSRYBW-LDADJPATSA-N 368.458 4.332 30 40 FIEB Cc1cccc(Cc2nc(SCc3ccc(F)cc3)nc(N)c2C#N)c1 223670913 GKTANGUZIXCNBK-UHFFFAOYSA-N 364.449 4.261 30 40 FIEB CCOc1c(OC)cc(C#N)cc1C(=O)Nc1cccc(C(F)(F)F)c1 408583845 XOFGHMSVPCNGRL-UHFFFAOYSA-N 364.323 4.237 30 40 FIEB Cc1cc(/C=N/c2c[nH]ccc2=O)c(C)n1-c1ccc(Br)cc1 408737850 ILZXBRZANINGKA-UFFVCSGVSA-N 370.250 4.296 30 40 FIEB COc1cc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)ccc1OCC#N 409109537 GWZHKSLGJJIYGJ-PDGQHHTCSA-N 362.429 4.141 30 40 FIEB COC1=C(OC)C(=O)C(Sc2ccc3ccccc3c2)=C(Cl)C1=O 1766935 ICZQVVIENHPUGS-UHFFFAOYSA-N 360.818 4.039 30 40 FIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCc4ccccc4OC)[C@H]3C[C@H]12 4028465 REYKQEWDDZDTTM-WMFFNKJVSA-N 369.505 4.099 30 40 FIEB biogenic CCCCCCCCCCCCn1nc(N2CCOCC2)sc1=N 8385594 BHMCBUPXSDEHON-UHFFFAOYSA-N 354.564 4.182 30 40 FIEB O=C1/C(=C/c2cccnc2)Oc2c1ccc1c2CN(c2ccc(F)cc2)CO1 13691994 MNEGXQXGZQZUBN-JMIUGGIZSA-N 374.371 4.193 30 40 FIEB O=C1/C(=C/c2ccccc2Cl)Oc2c1ccc(O)c2CN1CCCC1 4339733 XHKNFHXUEYICEN-WQRHYEAKSA-N 355.821 4.258 30 40 FIEB CCOc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(N(C)C)cc3)S2)cc1 9089651 KEYMTANTBKGDKE-AQTBWJFISA-N 367.474 4.043 30 40 FIEB C=CCc1cc(/C=N/O)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 409070891 MHXMUNZNIPYOIJ-UDWIEESQSA-N 356.378 4.109 30 40 FIEB N#Cc1nnc2ccccc2c1N1CCC(Nc2ccccc2Cl)CC1 77214734 GMZIIEZLAWRGBJ-UHFFFAOYSA-N 363.852 4.236 30 40 FIEB CCCCCCCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1C 408561774 LCKBNSOOVXOMFO-UHFFFAOYSA-N 360.527 4.367 30 40 FIEB Cc1ccc2c(c1)CC[C@H](/C(O)=N/Cc1cccc3c1OCCCO3)O2 330015777 ONRHOYKESYLMQW-LJQANCHMSA-N 353.418 4.007 30 40 FIEB N#Cc1c(F)cccc1-n1ccc(NC(=O)NCCCC2CCCCC2)n1 1310546119 RKPIZQCXACKSGP-UHFFFAOYSA-N 369.444 4.365 30 40 FIEB O=C1N/C(=N/c2ccc(Cl)cc2Cl)S/C1=C/c1cccnc1 1447408 LRSSTTQMBVKJCS-AWNIVKPZSA-N 350.230 4.280 30 40 FIEB C#CCn1c([C@@H]2CC(=O)N(c3cc(Cl)ccc3C)C2)nc2ccccc21 4033328 MMYKOMFQHHQVRN-OAHLLOKOSA-N 363.848 4.152 30 40 FIEB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/Cc2ccccc2)cc1 5752947 PYFKGRFHOPEEFU-CJLVFECKSA-N 365.454 4.382 30 40 FIEB Cc1csc(SCC(=O)N(CCC#N)c2cccc(Cl)c2)n1 7196086 CXNCFVFZOKMACZ-UHFFFAOYSA-N 351.884 4.144 30 40 FIEB CC(=O)c1cccc(NCC(=O)Nc2sc3c(c2C#N)CCCCC3)c1 12554181 HBESFERIHZHFRD-UHFFFAOYSA-N 367.474 4.142 30 40 FIEB CCn1c(C)c(/C=N/NCc2ccc(OC)c(OC)c2)c2ccccc21 20196022 ATMRXBSVRVQOFO-OEAKJJBVSA-N 351.450 4.111 30 40 FIEB Cc1nn(-c2ccccc2)c(CSc2ncnc3ccccc23)c1C#N 27033855 IQPLNLFGPRGNNC-UHFFFAOYSA-N 357.442 4.288 30 40 FIEB Cc1ccc(/C=C/C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)o1 79046989 JPWPOXGWWLVVGD-OUKQBFOZSA-N 367.426 4.285 30 40 FIEB N#Cc1cccc(NC(=O)N2CCC(Oc3ccccc3Cl)CC2)c1 152497862 IZOCXDLMZLBZCT-UHFFFAOYSA-N 355.825 4.287 30 40 FIEB CCOc1cc(/C=N\O)ccc1OCc1cccc(Br)c1 216853351 ZDDMQCYRQZSMIU-ZDLGFXPLSA-N 350.212 4.235 30 40 FIEB C#C[C@]1(O)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]2CC[C@]2(C)[C@@H](OC(C)=O)CC[C@H]32)C1 253617563 VHAGTEAFULKJNP-WNCKLLFJSA-N 358.522 4.325 30 40 FIEB COc1ccc2c(c1)Cc1sc(/N=C\c3ccc(O)c(OC)c3)nc1-2 409044190 UAFHYKYNPNQNSV-JMIUGGIZSA-N 352.415 4.188 30 40 FIEB COc1ccc(N2C(=O)CC[C@]2(C#N)c2ccc(Br)cc2)cc1 987622 SSVUVYKVZTVSJC-SFHVURJKSA-N 371.234 4.004 30 40 FIEB COc1ccccc1[C@H]1CCCC[C@@H]1OS(=O)(=O)c1ccc(C)cc1 1706530 SCPHFSRGKCEXLQ-QUCCMNQESA-N 360.475 4.435 30 40 FIEB C=CCn1c(N)c(C(=O)OCCCCCCC)c2nc3ccccc3nc21 2376391 WAXQPCMHNAKJEY-UHFFFAOYSA-N 366.465 4.480 30 40 FIEB C=CCn1c(SCc2ccc(C#N)cc2)nnc1-c1ccc(OC)cc1 2453035 DOKQTMQIEGRMPU-UHFFFAOYSA-N 362.458 4.304 30 40 FIEB CCOC(=O)c1sc(N)c(C#N)c1COc1ccc(Cl)cc1Cl 7169397 HKORBFFGVUNAAL-UHFFFAOYSA-N 371.245 4.264 30 40 FIEB Cc1cccc(/N=C2/NC(=O)[C@@H](Cc3cccc(Cl)c3Cl)S2)n1 13582912 SQLORJPRXIBJMQ-GFCCVEGCSA-N 366.273 4.159 30 40 FIEB C#CCOc1cccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccc(F)cc2)c1 36358422 NMCUBNVINZGCNC-SFHVURJKSA-N 361.376 4.147 30 40 FIEB Cc1ccccc1Cn1nc(Cc2cccc3ccccc23)c(C#N)c1N 225844359 HMQYYOKWKRLGCQ-UHFFFAOYSA-N 352.441 4.438 30 40 FIEB C=CCN1C(=O)S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O 409106846 MYURRPWIKIWSRC-GDNBJRDFSA-N 356.359 4.077 30 40 FIEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cc(O)ccc1O 803557 GXEHNCSSDIDPDZ-FQEVSTJZSA-N 350.418 4.320 30 40 FIEB Cc1ccc(C(=O)/C=C/N2CCN(/C=C/C(=O)c3ccc(C)cc3)CC2)cc1 2581571 CFTIQGGKVZRDAS-PHEQNACWSA-N 374.484 4.014 30 40 FIEB C=CCn1c(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)nc2ccccc21 4492924 OEYFATUTNHLGOE-ZDUSSCGKSA-N 362.458 4.312 30 40 FIEB C=CCn1c(SCc2c(C)noc2C)nc2sc3c(c2c1=O)CCC3 632011 WQURYPLHKOHSDP-UHFFFAOYSA-N 373.503 4.030 30 40 FIEB C=CCSC1=Nc2c(cnn2-c2ccc(C)c(Cl)c2)C2=NCCCN12 12321291 XRNFWPFHWBXWFT-UHFFFAOYSA-N 371.897 4.207 30 40 FIEB Cc1cc(C)n(CC(=O)Nc2ccc(C3CCCCC3)cc2)c(=O)c1C#N 8390898 XNBKDIKXXYOVNT-UHFFFAOYSA-N 363.461 4.023 30 40 FIEB C=CCOC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12 2322350 GREVYSOMKAHJPV-UHFFFAOYSA-N 350.422 4.015 30 40 FIEB N#Cc1ccccc1CN(c1cccc(F)c1)S(=O)(=O)c1ccccc1 12846788 YPLNKRODBVQJIO-UHFFFAOYSA-N 366.417 4.093 30 40 FIEB C/C(=N\Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1cccc(O)c1 4475450 GTSFCQNXJLMTJB-YBFXNURJSA-N 354.391 4.260 30 40 FIEB C=C[C@@H](C)N1C(=O)S/C(=C\c2cccn2-c2ccc(N(C)C)cc2)C1=O 408959849 GWHPZQPVBSBJST-VVTMIQRTSA-N 367.474 4.154 30 40 FIEB Cc1ccc([C@H]2C3=C(C[C@@H](c4ccc(F)cc4)CC3=O)Nc3ncnn32)cc1 4814171 FHWOGXHJJVRSGD-IERDGZPVSA-N 374.419 4.141 30 40 FIEB N#Cc1c(CN2CCO[C@H](c3ccc(Cl)cc3)C2)cn2ccccc12 69950479 OZNKFVSIEVCNLT-FQEVSTJZSA-N 351.837 4.038 30 40 FIEB CC(=O)O[C@H]1CC(=O)C=C2CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@@H]3[C@]21C 83261236 FSXXWLFRHSAFAC-XLKAASRCSA-N 372.505 4.265 30 40 FIEB Cc1cc(C)c2cc(C#N)c(NCCNC(=O)Nc3ccccc3C)nc2c1 35292350 NUGOBKDEUQFPKZ-UHFFFAOYSA-N 373.460 4.265 30 40 FIEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3cc(C)oc3C)c2)c1 30931111 KDPKDRZJNQVDOQ-UHFFFAOYSA-N 373.408 4.335 30 40 FIEB CCOc1ccc(C#N)cc1NC(=O)/C=C/c1ccccc1Br 48353662 OEFWCXBDEFYTQK-CSKARUKUSA-N 371.234 4.371 30 40 FIEB Cc1ccccc1N/N=C1\C(=O)N(C2CSC2)c2ccc(C(C)C)cc21 223728045 HHGIPJRQQYSECM-ATJXCDBQSA-N 365.502 4.397 30 40 FIEB C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(SC)cc1 224974884 ZIZQNMWBNNININ-UHFFFAOYSA-N 353.896 4.443 30 40 FIEB O=C(O)CCC/C=C/C[C@H]1C(=O)C=C[C@@H]1CC[C@@H](O)CCc1ccccc1 149746782 ZHCXQFHXZFWVRT-QSQTYWADSA-N 370.489 4.333 30 40 FIEB O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc(OCC(F)(F)C(F)F)cc2)c1 3092230 IWBWHZOPANCIHP-ODCIPOBUSA-N 372.274 4.330 30 40 FIEB Fc1ccc(/C=N/NC(=S)Nc2ccccc2C(F)(F)F)c(F)c1 3261749 UGELTIGNVVYWST-ODCIPOBUSA-N 359.323 4.304 30 40 FIEB C=CCNc1nc(-c2ccccn2)nc2c1CCN(Cc1ccc(C)cc1)C2 12123302 JBHWGDZQYSDRSN-UHFFFAOYSA-N 371.488 4.003 30 40 FIEB CCCC/N=C1\S/C(=C\c2ccc(C(=O)O)cc2)C(=O)N1CCCC 5552212 SUKDRUQOUUEZNG-OROSMMNWSA-N 360.479 4.257 30 40 FIEB C=CCOc1ccccc1/C=C1\S/C(=N\c2ccccc2C)NC1=O 8416145 AIXYDVLZLONKMQ-AQTBWJFISA-N 350.443 4.451 30 40 FIEB Cc1ccc(CNC(=O)CSc2nc3ccc(C)cc3cc2C#N)cc1 915338 GVQSCUUGBJLJDN-UHFFFAOYSA-N 361.470 4.132 30 40 FIEB C[C@H]1CCC[C@@H](C)N1C[C@H](O)CON=C1c2ccccc2-c2ccccc21 5554306 IGMGKOIULCISEA-KSZLIROESA-N 364.489 4.060 30 40 FIEB Cc1cccc(/N=C2\NC(=O)[C@H](Cc3ccc(Cl)cc3Cl)S2)n1 9086508 FFUIWDWZESKEQO-ZDUSSCGKSA-N 366.273 4.159 30 40 FIEB CCOc1ccc2c(c1)O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O 13655259 NUFOZUVALLAEBM-IDUWFGFVSA-N 358.777 4.221 30 40 FIEB COc1cccc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c1 31777140 YJBIEBWDPCGNLX-UHFFFAOYSA-N 358.397 4.398 30 40 FIEB Cc1nc(-c2ccc(C#N)cc2)n(CN(C2CC2)[C@H]2CCc3ccccc32)n1 58438249 WWJUDPBQYJYDPI-QFIPXVFZSA-N 369.472 4.235 30 40 FIEB CCCCCCCCNC(=S)N(C)CCc1ccc(OC)c(OC)c1 59663606 PYQWAWRZFZNYID-UHFFFAOYSA-N 366.571 4.413 30 40 FIEB CCCCCOc1ccccc1CN1C(=O)/C(=N/O)c2cc(C)ccc21 95946626 WQYHSYVOGLWSBP-LSDHQDQOSA-N 352.434 4.289 30 40 FIEB C#CCOc1ccccc1CN1[C@H]2CC[C@H]1CC(O)(c1ccc(C)cc1)C2 100765792 KBYSACXUAHUKAW-VXKWHMMOSA-N 361.485 4.022 30 40 FIEB Cc1cc(-c2ccccc2)c(C#N)c(SCC(=O)NC2CCCCC2)n1 956049 RIAAAPYOEWLGHX-UHFFFAOYSA-N 365.502 4.470 30 40 FIEB COc1ccccc1/C=[N+](\[O-])[C@H]1N(c2ccccc2)C(=S)SC1(C)C 2260601 DOQVAXCYHYKXPX-IZQLPPHKSA-N 372.515 4.267 30 40 FIEB C=C(C)CSc1nc2ccccc2c(=O)n1-c1cc(C)ccc1OC 2619712 KTTJXPSSRQVRLN-UHFFFAOYSA-N 352.459 4.371 30 40 FIEB CN(Cc1ccccc1)S(=O)(=O)c1ccc(/N=C/c2cccs2)cc1 6125915 DXGQYHYPIWCUFD-XSFVSMFZSA-N 370.499 4.319 30 40 FIEB N#Cc1ccc(C(=O)O[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)cc1 6637661 FBLKVWCXGKCSQJ-HXUWFJFHSA-N 374.371 4.234 30 40 FIEB Cc1noc2c1[C@H](c1ccc(Br)cc1)C1=C(CCCC1=O)N2 13726330 CSTFPFOFAHOOSH-HNNXBMFYSA-N 359.223 4.310 30 40 FIEB N#Cc1ccccc1S(=O)(=O)Nc1ccccc1Oc1ccccc1 16148071 SVMRHWNSNBANDZ-UHFFFAOYSA-N 350.399 4.151 30 40 FIEB O=C1/C(=N\c2ccc(F)c(Cl)c2)c2ccccc2N1CN1CCCCC1 32109928 SHMRTHWVJIGPCV-NMWGTECJSA-N 371.843 4.390 30 40 FIEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cccs1 4684729 UWMJGGGEHXLALQ-QGZVFWFLSA-N 351.431 4.116 30 40 FIEB Cc1cc(N/N=C/c2ccc(Cl)cc2)nc(NCc2ccccc2)n1 4852255 DMGILJRCIFDWJJ-LPYMAVHISA-N 351.841 4.497 30 40 FIEB COc1ccccc1NC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 5000339 XOMZLXUESDTJFU-UHFFFAOYSA-N 374.444 4.342 30 40 FIEB C#CCn1c([C@@H]2CC(=O)N(c3ccc(Cl)c(C)c3)C2)nc2ccccc21 5235910 MLLISNKAWRNISU-OAHLLOKOSA-N 363.848 4.152 30 40 FIEB O=C(COc1ccc(/C=N/c2ccc(F)cc2)cc1)NCc1ccccc1 5946989 HOZZBKKYAXTLLB-ZVHZXABRSA-N 362.404 4.272 30 40 FIEB Cc1cccc(C(=O)/C=C/N2CCN(/C=C/C(=O)c3cccc(C)c3)CC2)c1 6504170 XQNITWCKJGYDBE-WGDLNXRISA-N 374.484 4.014 30 40 FIEB Cc1nc(-c2ccc(F)cc2)c(CC(=O)Nc2sccc2C#N)s1 6579380 ZOLWQMHWTBMTCI-UHFFFAOYSA-N 357.435 4.372 30 40 FIEB C=CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccoc1C 6911827 ADQVRYQSTKWHIE-UHFFFAOYSA-N 356.407 4.233 30 40 FIEB Cc1cc(C)c(C#N)c(SCC(=O)N2CCC[C@@H]2c2cccs2)n1 9321958 BFHVDBSTXPNCGC-OAHLLOKOSA-N 357.504 4.087 30 40 FIEB C=CCN1CCc2cc(-c3cncn3C[C@H](C)n3nc(C)cc3C)ccc21 19719374 XSHZRDWQCPOREQ-SFHVURJKSA-N 361.493 4.173 30 40 FIEB C=CCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1cccc(C)c1C 22516310 HNMFQDBVQBFTMS-LJQANCHMSA-N 366.461 4.015 30 40 FIEB O=C(/C=C/c1cnn(-c2ccccc2)c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 63412504 KCGXYZWCQLQXCE-RMKNXTFCSA-N 358.357 4.158 30 40 FIEB COc1cc(N2CCCC2)c(OC)cc1/C=N/c1cccc(C(=O)O)c1C 409101679 QJKUDUPXHSZGEE-LPYMAVHISA-N 368.433 4.061 30 40 FIEB C=CCN1[C@H]2CCC[C@H]1CC(NC(=O)Nc1ccccc1C(F)(F)F)C2 1370322 WPBRIIFXOWZNSD-GJZGRUSLSA-N 367.415 4.398 30 40 FIEB CSc1ccc(/C=N/O[C@H](C)C(=O)N[C@@H](C)CCc2ccccc2)cc1 3453227 DRBMKRUUBHSSJQ-XRUNFXQSSA-N 370.518 4.285 30 40 FIEB Cc1c(C(=O)O)ccc2c1N[C@@H](c1ccc(OCC#N)cc1)[C@@H]1CC=C[C@@H]21 4608566 NIVDEQFZMCZBLY-OPYAIIAOSA-N 360.413 4.422 30 40 FIEB COC(=O)C1=C(Nc2ccccc2)S/C(=C/c2ccc(C)cc2)C1=O 4688354 PHQOGHPGSXSYTG-FOWTUZBSSA-N 351.427 4.149 30 40 FIEB CCc1c(C)sc(NC(=O)c2cc(-c3ccc(OC)cc3)on2)c1C#N 4880740 NFWFXKGYGYVGGI-UHFFFAOYSA-N 367.430 4.407 30 40 FIEB Cc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2cccc(C#N)c2)o1 4927195 JHDIGVAQCHVSFB-CYBMUJFWSA-N 364.430 4.036 30 40 FIEB N#C[C@H]1C(=S)NC2=C([C@@H]1c1ccc(Cl)cc1Cl)N1CCC2CC1 5762765 HLDFYKDETNCONR-TZMCWYRMSA-N 364.301 4.085 30 40 FIEB OC1=Nc2c(Cl)cc(Cl)cc2/C1=N\N=c1/[nH]c2ccccc2s1 6476807 JGZNQHPQWZDLQT-UHFFFAOYSA-N 363.229 4.443 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccccc2)C[C@H]1c1cccc(OC)c1 6758358 WRISZSJOVVTGAX-FPOVZHCZSA-N 350.414 4.015 30 40 FIEB COc1cc(C(=O)/C=C/c2ccc(C(C)C)cc2)ccc1OCC(=O)O 8322847 JHGLPYMVDMUZAD-UXBLZVDNSA-N 354.402 4.178 30 40 FIEB CCOc1ccccc1NC(=O)CON=C1c2ccccc2-c2ccccc21 14354300 FSMPEMRDEKKCBG-UHFFFAOYSA-N 372.424 4.473 30 40 FIEB C#CCN1C(=O)S/C(=C\c2ccc(OCc3cccc(C)c3)cc2)C1=O 15012746 RFBDVJNMIXEWNE-UYRXBGFRSA-N 363.438 4.244 30 40 FIEB C=CCN(C(=O)[C@@H]1Cc2ccccc2O1)c1nc(-c2ccccc2)cs1 15608269 VFGPFBHFNXJLDV-IBGZPJMESA-N 362.454 4.333 30 40 FIEB CC/C=C\CC1=C(CCCC[C@@H](CCC(=O)O)OC(C)=O)CCC1=O 31163939 QWDCJWDUPSTHHK-CHYADLBTSA-N 350.455 4.359 30 40 FIEB biogenic,in-vitro C#CCOc1cccc([C@H]2CC(O)=Nc3nc(N4CCCCC4)sc32)c1 36366020 ZZGZZXZDHXGFMW-MRXNPFEDSA-N 367.474 4.269 30 40 FIEB Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)N(C(C)C)C(C)C)n1 39525124 ZGGQQMKXGCNASU-LBPRGKRZSA-N 373.444 4.407 30 40 FIEB N#Cc1c(F)cccc1N1CCC([C@@H]2CCCCCN2C(=O)C2CC2)CC1 71890483 QCWZHMSBZHJVRG-FQEVSTJZSA-N 369.484 4.095 30 40 FIEB CCS[C@@H]1CC[C@@H](N(C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 72304989 GGGTXVAZGFXVAT-UYAOXDASSA-N 373.566 4.156 30 40 FIEB Cc1cc(C#N)c(C)n1-c1cc(Br)ccc1Br 223718708 UQERONXYXXXMAK-UHFFFAOYSA-N 354.045 4.491 30 40 FIEB CCc1ccc2c(c1)/C(=N/Nc1cc(C)ccc1C)C(=O)N2C1CSC1 223725716 NXJCWNYAUMUWMT-ATJXCDBQSA-N 365.502 4.144 30 40 FIEB C=CCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc2ccccc2c1 225059306 ZKFWXMKYAYCWLC-UHFFFAOYSA-N 368.414 4.129 30 40 FIEB C=CCO[C@H]1CC2(CCN(C(=O)c3cc[nH]c3)CC2)c2cc(C)ccc21 1565542999 VJCNHXJORVXCAC-FQEVSTJZSA-N 350.462 4.145 30 40 FIEB O=[N+]([O-])c1cccc(/C=N/c2ccc(OCC(F)(F)C(F)F)cc2)c1O 3092229 CGSDZNJQWWASPD-ODCIPOBUSA-N 372.274 4.330 30 40 FIEB N#CCCSc1ccccc1NC(=O)c1coc2ccccc2c1=O 4194656 BHZFNQNUGCUDCX-UHFFFAOYSA-N 350.399 4.051 30 40 FIEB COc1ccc2c(c1)CCc1sc(/N=C/c3ccc([N+](=O)[O-])o3)nc1-2 5514487 PVWRLAHCQBYADJ-GIJQJNRQSA-N 355.375 4.169 30 40 FIEB CCC(=O)NC(=S)Nc1ccc(/N=C/c2cc(Cl)ccc2O)cc1 6386262 BVEAGSRIDOVKKP-VXLYETTFSA-N 361.854 4.019 30 40 FIEB C=CCn1nnnc1NCc1ccc(-c2ccc(Cl)cc2Cl)o1 6856446 MEQKVWHUZXHMBZ-UHFFFAOYSA-N 350.209 4.038 30 40 FIEB N#Cc1ccc(F)c(CSCC(=O)Nc2ccccc2OC(F)F)c1 9954486 JTIREVPXOMFWNT-UHFFFAOYSA-N 366.364 4.171 30 40 FIEB C=CCn1cc(CN(Cc2ccc(F)cc2)Cc2cccnc2)c(C)n1 13569168 UODKOYUEHXIDLK-UHFFFAOYSA-N 350.441 4.114 30 40 FIEB O=C1N/C(=N/c2ccc(Br)cc2)S/C1=C/c1cccs1 17823030 MUASTVOBZBXUID-XYOKQWHBSA-N 365.277 4.402 30 40 FIEB COc1ccc2c(c1)Cc1sc(/N=C/c3ccc(O)c(OC)c3)nc1-2 21006026 UAFHYKYNPNQNSV-KEBDBYFISA-N 352.415 4.188 30 40 FIEB CC(=O)C1=C(C)N(C)C2=C(C(=O)c3ccccc32)[C@H]1c1cccc([N+](=O)[O-])c1 988613 SRELXCORXXSZPK-IBGZPJMESA-N 374.396 4.094 30 40 FIEB C=CCSc1nnc([C@@H](C)c2ncc(C(F)(F)F)cc2Cl)n1C 3134796 UTQPTSCBCSUSGA-QMMMGPOBSA-N 362.808 4.312 30 40 FIEB C=CCn1c([C@@H]2CC(=O)N(c3ccccc3OCC)C2)nc2ccccc21 4385047 WSJVINCQYWYURD-MRXNPFEDSA-N 361.445 4.142 30 40 FIEB COc1ccc(CNc2oc(-c3ccc(Cl)cc3)nc2C#N)cc1OC 4980030 SABZQZBRMJQXHU-UHFFFAOYSA-N 369.808 4.496 30 40 FIEB CC1=CC(=O)C(C(C)C)=C/C1=N\OC(=O)c1ccc(Br)cc1 5247878 KNMWSGWYRVNKQE-XDJHFCHBSA-N 362.223 4.073 30 40 FIEB CC(C)(C)OC(=O)COC(=O)c1ccccc1Sc1ccccc1C#N 6542706 PPUBIXDLRJYONP-UHFFFAOYSA-N 369.442 4.208 30 40 FIEB C/N=c1\scc(-c2cc3ccccc3o2)n1/N=C/c1ccc(C#N)cc1 12604383 CONYCTPNVHNEGP-LDYSMASRSA-N 358.426 4.247 30 40 FIEB C=CCN(C(=O)c1ccc(OC)c(OC)c1)c1nc2ccccc2s1 14140599 ATUCMGGNUHXRAD-UHFFFAOYSA-N 354.431 4.146 30 40 FIEB Cc1ccc(-c2csc(NS(=O)(=O)c3cccc(C#N)c3)n2)cc1C 28047650 CCZJAWJEPHXXGM-UHFFFAOYSA-N 369.471 4.099 30 40 FIEB CCc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)c(C#N)c(=O)[nH]2)cc1 55142575 BCQLAALLMCITOB-UHFFFAOYSA-N 360.413 4.160 30 40 FIEB CCc1n[nH]c(=S)n1/N=C/c1ccc(OCc2cccc(C)c2)cc1 82375144 KHEOPMAGWZUKCQ-UDWIEESQSA-N 352.463 4.273 30 40 FIEB COc1ccc(/N=C2/S/C(=C\c3ccc(O)c(Cl)c3)C(=O)N2C)cc1 100260727 MAORBJNTYAZFIF-NIQTYAIASA-N 374.849 4.288 30 40 FIEB Cc1ccc(NC(=S)N/N=C/c2ccccc2Br)cc1C 3232514 SLISTXOPJSURSX-VCHYOVAHSA-N 362.296 4.386 30 40 FIEB CCOC(=O)N1C/C(=C/c2ccsc2)C(=O)/C(=C/c2ccsc2)C1 3276392 ORHPLRJPZLTVTM-BSHIDLADSA-N 359.472 4.318 30 40 FIEB CC1(C)C(=O)O[C@H](/C(=N/Nc2ccccc2)c2ccccc2)C(C)(C)C1=O 4451150 UPIUNRYIOKXVJP-ZDSQJECRSA-N 364.445 4.050 30 40 FIEB CCCCOc1ccc2ccccc2c1/C=N/n1c(S)nnc1CC 5010871 NWZHORXWEQABMM-DEDYPNTBSA-N 354.479 4.344 30 40 FIEB CC1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2cc(C)ccc2C)NC(=O)N1 6046524 NADNAPCXPPUEIN-SFHVURJKSA-N 354.837 4.468 30 40 FIEB C=CCn1c(SCC(=O)c2ccccc2)nc2cc(Cl)ccc2c1=O 6083596 VFEVGGPQOJUVCZ-UHFFFAOYSA-N 370.861 4.211 30 40 FIEB COc1ccc(C(=O)/C=C/c2ccc(C)cc2)cc1CSCC(=O)O 7913170 HJJGDHWDRFXNMV-VQHVLOKHSA-N 356.443 4.218 30 40 FIEB CCOc1ccc(/C=C2/S/C(=N/c3ccccc3)N(C)C2=O)cc1OC 12463753 ICITWNIVQJKGAF-KXNKKEQVSA-N 368.458 4.328 30 40 FIEB C=CCSc1nnc(NC(=O)COc2ccc(C(C)(C)C)cc2)s1 16008504 QKKQQYJAVRTPDY-UHFFFAOYSA-N 363.508 4.131 30 40 FIEB C[C@H]1CCCCN1Cc1c(O)ccc2c1O/C(=C\c1cccs1)C2=O 20503986 VAGQRUHSUPTKRQ-FHNWIRHTSA-N 355.459 4.444 30 40 FIEB biogenic C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cccc(C)c1 20633152 ZHGNXIPORYCVFV-HXUWFJFHSA-N 359.429 4.363 30 40 FIEB COc1cc(/C=C/C(=O)c2sc(C)nc2C)cc(OC)c1OC(F)F 32831722 YNVHZBDATXWJEH-AATRIKPKSA-N 369.389 4.275 30 40 FIEB CC(=O)[C@H]1[C@@H](C[N+](=O)[O-])C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118935282 JDTTYBKAUCAYDW-LNLPUAQXSA-N 373.493 4.226 30 40 FIEB C=CCOc1ccc(/C=C2\SC(=N)[C@@H](c3nnc(CC)s3)C2=O)cc1 136818272 MNMPIFACRLMZQX-SMTGANQKSA-N 371.487 4.083 30 40 FIEB COc1ccc(OC)c(/C=C/C(=O)c2ccc3c(c2)OCC(C)(C)CO3)c1 225371976 DAZKMFBSMMRGHE-VMPITWQZSA-N 368.429 4.397 30 40 FIEB C=CCOc1cccc(NC(=S)NCCCN2CCCC[C@H]2CC)c1 260739999 RLSGIBUQZIHJST-GOSISDBHSA-N 361.555 4.192 30 40 FIEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OCC 2055114 DWGJLEQXUCEWIC-HXUWFJFHSA-N 369.461 4.006 30 40 FIEB Cc1ccc(-n2c(SCC#N)nc3sc4c(c3c2=O)CCCC4)cc1 4558176 UEDFWPHUTWZFSP-UHFFFAOYSA-N 367.499 4.250 30 40 FIEB C=CCN(C(=O)c1ccc([N+](=O)[O-])c(C)c1)c1nc2c(s1)CCCC2 5511197 RPHFUKHGQLADHD-UHFFFAOYSA-N 357.435 4.071 30 40 FIEB CC(=O)Nc1ccc(/C=N/Nc2nc(Cl)c(Cl)cc2Cl)cc1 6363399 MCRBVYRBLPBPGL-CNHKJKLMSA-N 357.628 4.446 30 40 FIEB C=CCOc1ccc(C(=O)Nc2ccc(C(=O)OCCCC)cc2)cc1 8480226 CWQKXMRXQSKHKQ-UHFFFAOYSA-N 353.418 4.461 30 40 FIEB N#Cc1ccc(-c2ccc(Cl)cc2)nc1SCC(=O)NC1CCCC1 12250952 PHLBXTGDTALIBZ-UHFFFAOYSA-N 371.893 4.425 30 40 FIEB Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(N4CCCC4)o3)S2)c(C)c1 14011345 NWFXPCXZQCVMJK-SFQUDFHCSA-N 367.474 4.388 30 40 FIEB C=CCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1cccc(Cl)c1 20481776 OKSPUMVHRJHSHM-SFHVURJKSA-N 372.852 4.052 30 40 FIEB CC(C)c1ccc2c(c1)/C(=N/Nc1ccc(Br)cc1)C(=O)N2 59154812 GORRCCCRBGPLMS-UHFFFAOYSA-N 358.239 4.341 30 40 FIEB N#CCCn1cc(/C=C/C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)c2ccccc21 95381758 YHHOBJGNFQENHQ-XNZYIBKVSA-N 373.431 4.380 30 40 FIEB C=CCOc1ccc(NC(=O)C2(C)COC(c3cccs3)OC2)cc1 225921535 GKEWNHCVNJTFAE-UHFFFAOYSA-N 359.447 4.003 30 40 FIEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C[C@H]5O[C@]5(C(C)=O)[C@@]4(C)CC[C@H]32)C1 253531239 YRLVTBXOGJMZNC-XNONYCQISA-N 372.505 4.217 30 40 FIEB biogenic C=C(C)CN1C(=O)N(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc21 1889098188 WCIZZFPGYVLHJP-UHFFFAOYSA-N 356.447 4.015 30 40 FIEB Cc1cccc(C)c1NC(=O)C(=O)/C(=C(\N)c1ccccc1)c1ccccc1 1580651 MFNTZVXYVCDMMG-MRCUWXFGSA-N 370.452 4.338 30 40 FIEB CCCOc1ccc(-c2nc(C#N)c(NCCCN(CC)CC)o2)cc1 2439214 XPIKNQLBJNQZPF-UHFFFAOYSA-N 356.470 4.146 30 40 FIEB CC1(C)Cc2c(sc(NC(=O)c3cccc(F)c3)c2C#N)C(C)(C)N1 4275305 POWKAISUXYOWJG-UHFFFAOYSA-N 357.454 4.171 30 40 FIEB Oc1ccc2ccccc2c1/C=N/n1cnnc1SCc1ccccc1 5486711 KDWGOOLPCHTICQ-WSDLNYQXSA-N 360.442 4.311 30 40 FIEB CC(C)OC(=O)COc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O 5789795 UROZBGGGZQGOBX-CAMSTOTOSA-N 364.397 4.189 30 40 FIEB biogenic CCOc1cccc(/C=N/Nc2ncnc3sc4c(c23)CCCC4)c1O 6389751 ROQRCWGZPWDHEC-LSHDLFTRSA-N 368.462 4.120 30 40 FIEB C/C(C#Cc1ccccc1)=C/C(C)=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 33368715 YUHYPSVHHSWSAX-IJSSBWKMSA-N 364.361 4.289 30 40 FIEB C/C(=N/NC(=S)Nc1ccccc1F)c1ccc(Br)cc1 33663449 ZHFMLSMBBDPYMI-GRSHGNNSSA-N 366.259 4.299 30 40 FIEB C=CCCCC(=O)CCC[C@H](C)OC(=O)c1c(O)cc(OC)cc1OC 39030852 GIQVBZLNKRMWBN-AWEZNQCLSA-N 364.438 4.050 30 40 FIEB in-vitro N#Cc1c(N)nc(SCc2ccc(Cl)cc2)nc1Cc1ccccc1 223664495 BNIHPZVFSWRFDI-UHFFFAOYSA-N 366.877 4.467 30 40 FIEB O=C1Nc2ccc(C(F)(F)F)cc2/C1=N/Nc1nc2ccccc2s1 223747989 UBCUTEXFQSRIJE-UHFFFAOYSA-N 362.336 4.083 30 40 FIEB Cc1ccc2c(c1)CC[C@H](/C(O)=N/Cc1ccnc(N3CCCCC3)c1)O2 330035388 XIEMHHAKONQZJF-HXUWFJFHSA-N 365.477 4.231 30 40 FIEB CC[C@@H]1S/C(=N\N=C\c2ccccc2)N(Cc2ccccc2C)C1=O 2331356 PSAJILIHHZSBRB-MXWPMSCXSA-N 351.475 4.239 30 40 FIEB Cc1csc(SCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)n1 2616378 DKWUUIFSCFCDCW-SECBINFHSA-N 363.533 4.240 30 40 FIEB CC(C)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1F 5444146 VJPAGYVEHVYYGO-SFHVURJKSA-N 353.393 4.060 30 40 FIEB Cc1cc(C)c(C#N)c(S[C@@H](C)C(=O)N[C@@H]2CCCc3ccccc32)n1 5642980 KLLKFJWCALEYEY-HNAYVOBHSA-N 365.502 4.245 30 40 FIEB N#Cc1cc2c(nc1Sc1ccc([N+](=O)[O-])cc1C=O)CCCCC2 13573960 KIOXKWKHNLXQMP-UHFFFAOYSA-N 353.403 4.094 30 40 FIEB CCCCCOc1ccc(CN2C(=O)/C(=N/O)c3cc(C)ccc32)cc1 95946627 NFIRBGWLIUJTSO-LSDHQDQOSA-N 352.434 4.289 30 40 FIEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1OCC 2055113 DWGJLEQXUCEWIC-FQEVSTJZSA-N 369.461 4.006 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccs2)C[C@@H]1c1ccc(OCC)cc1 4119640 JVRJRDKBIZRHET-XLIONFOSSA-N 370.470 4.466 30 40 FIEB Cc1ccc(-c2ccc(/C=N/Nc3nc4ccccc4[nH]3)o2)c([N+](=O)[O-])c1 5401907 XMBMYTTUKQRVTN-RGVLZGJSSA-N 361.361 4.486 30 40 FIEB C=CCOc1ccc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)cc1 6856068 CKAYZOGJWKGKDV-UHFFFAOYSA-N 361.829 4.015 30 40 FIEB C[C@H](Sc1nc2ccc(Cl)cc2[nH]1)C(=O)NC1(C#N)CCCCC1 6908430 XIXIGWLSRXGUHD-NSHDSACASA-N 362.886 4.040 30 40 FIEB C=CCc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(OCC)c1O 13119352 VCXYZZDKFSPETH-XQNSMLJCSA-N 366.461 4.107 30 40 FIEB CC1=CC(=O)C(C(C)C)=C/C1=N/OC(=O)c1ccccc1Br 33797818 WGKZIOPNXFIFTB-CYVLTUHYSA-N 362.223 4.073 30 40 FIEB Cc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)c(C)n1Cc1ccco1 54734627 PBFMMQDMEZUTQD-QGZVFWFLSA-N 359.385 4.378 30 40 FIEB COc1ccc(N/C=C/C(=O)c2cccc(Br)c2)c(OC)c1 59381749 WFLLDFLRZWSYID-CMDGGOBGSA-N 362.223 4.275 30 40 FIEB N#Cc1cc(N)c(N)c(F)c1Nc1ccc(Br)cc1Cl 90563077 WFPMKNHJFQLMKE-UHFFFAOYSA-N 355.598 4.021 30 40 FIEB N#CC1(C(=O)N2Cc3cc(-c4ccc(F)cc4)ccc3[C@@H]2c2cnco2)CC1 96094770 HAPYNGTVCALABX-HXUWFJFHSA-N 373.387 4.216 30 40 FIEB C/C(=N\c1cccc2cccc(N)c12)c1c(O)c2ccccc2n(C)c1=O 101161189 BWBBYEAEMNWOHP-ZMOGYAJESA-N 357.413 4.120 30 40 FIEB O=C(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F 114452016 UCYIKXVPERYUJJ-UHFFFAOYSA-N 362.066 4.126 30 40 FIEB Cc1ccc(C)c(/N=C2\S/C(=C\c3ccc4c(c3)OCO4)C(=O)N2C)c1 195761345 GISQYXAELXUAOU-QLJKFSFNSA-N 366.442 4.266 30 40 FIEB CC1(C)C[C@H](C(=O)Nc2nc3c(cc2C#N)CCCC3)c2ccccc2O1 333162626 OGKXVRCRRFGNPY-KRWDZBQOSA-N 361.445 4.115 30 40 FIEB Cc1cc(OCC2CCN(c3cc(C#N)c4ccccc4n3)CC2)ccn1 1888890782 VNTVMXJUGGGZDK-UHFFFAOYSA-N 358.445 4.105 30 40 FIEB Cc1ccccc1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 3333157 PUKYJWSODLGQFH-UHFFFAOYSA-N 366.471 4.263 30 40 FIEB CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1OC 6149731 HUXDIZHVGAOCBV-IBGZPJMESA-N 365.429 4.074 30 40 FIEB N#Cc1ccccc1NC(=O)CN(Cc1ccc(F)cc1)C1CCCCC1 7988593 IMMCBLCQUDMQSJ-UHFFFAOYSA-N 365.452 4.471 30 40 FIEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(C)cc1 13635083 FROZTSQJWNYBQX-HXUWFJFHSA-N 359.429 4.363 30 40 FIEB C=CCSc1nnc(NC(=O)[C@H](C)Oc2cccc3ccccc23)s1 225344038 CYLQJFMJPAGVEA-LBPRGKRZSA-N 371.487 4.375 30 40 FIEB CCOc1c(OC)cc(C#N)cc1C(=O)Nc1ccccc1C(F)(F)F 408580842 FBGDWEOELILIMQ-UHFFFAOYSA-N 364.323 4.237 30 40 FIEB C[C@H]1C[C@@H](C)CN([C@@H](C)CNc2oc(/C=C/c3ccccc3)nc2C#N)C1 1775965259 YHJXCQZSDIISHC-YLOZYULMSA-N 364.493 4.495 30 40 FIEB COc1ccc(/N=C/c2cc(C)cc(I)c2O)cc1 1433557 LQCKWZVYJYHRRN-RQZCQDPDSA-N 367.186 4.064 30 40 FIEB COCCN1C(=O)/C(=C\c2sccc2C)S/C1=N\c1ccccc1 2777223 GGDAMOAVXMTWGB-BOXNHUFISA-N 358.488 4.307 30 40 FIEB CC(C)(C)c1ccc(C(=O)/N=C2/N=C3N=CC=CN3Cc3ccccc32)cc1 3167705 RNTLNMTXQCBNGG-LKUDQCMESA-N 370.456 4.341 30 40 FIEB C=CCN1C(=O)/C(=C/c2cn([C@@H](C)CC)c3ccccc23)C(O)=NC1=S 4124047 JMTZEFVIHVQALI-XDUBLRSXSA-N 367.474 4.265 30 40 FIEB Cc1sc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)c(C#N)c1-c1ccccc1 6184270 MWRWKYCNJYRWIB-GJZGRUSLSA-N 368.458 4.425 30 40 FIEB CC/N=C1\S[C@H](Cc2cc(C(C)C)c(OCC)cc2C)C(=O)N1CC 6348079 WYZFPMVBXWJKFX-HMDOMZECSA-N 362.539 4.399 30 40 FIEB CC(C)(C)OC(=O)Nc1cccc(C(=O)OCc2ccc(C#N)cc2)c1 6906259 CYBBEYLHBKAKRH-UHFFFAOYSA-N 352.390 4.262 30 40 FIEB N#Cc1cccc(OCC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1 7393615 GJZWYQUEYJAAHW-UHFFFAOYSA-N 356.381 4.072 30 40 FIEB N/C(Cc1ccc(Cl)c(Cl)c1)=N\OC(=O)c1ccccc1Cl 8570275 SXCDSWDFXQUFSP-UHFFFAOYSA-N 357.624 4.319 30 40 FIEB N#Cc1nc(COc2ccc(Cl)cc2Cl)oc1N1CCCCC1 16779468 YUKXXIQFJXFUIA-UHFFFAOYSA-N 352.221 4.422 30 40 FIEB C=CCNC(=O)c1ccccc1NC(=O)CCc1cccc2ccccc12 222665786 HBBXWLZSFGCVGN-UHFFFAOYSA-N 358.441 4.327 30 40 FIEB N#Cc1cc2c(nc1N1CCC(C(=O)c3ccc(Cl)cc3)CC1)CCC2 328992756 DOLHZNQDCCCGNS-UHFFFAOYSA-N 365.864 4.195 30 40 FIEB CC/N=C1\S/C(=C\c2cccn2-c2ccc(Cl)cc2)C(=O)N1CC 408847962 OONFUFUWHOIWKN-SOBIRXOSSA-N 359.882 4.443 30 40 FIEB Fc1cc(/C=N\c2ccccc2Br)ccc1N1CCOCC1 409135062 PRSRCTMSBBLOMH-NDENLUEZSA-N 363.230 4.175 30 40 FIEB N#Cc1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)sc2c1CCCCCC2 2747583 QSFQDICYVNWTAA-UONOGXRCSA-N 360.479 4.108 30 40 FIEB N#CCOC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(O)cc1)CC2 6229861 JUSQSFYDQMUXIF-FYWRMAATSA-N 356.381 4.108 30 40 FIEB C=CCSc1nnc(-c2ccccc2NC(=O)c2ccc(F)cc2)o1 9764082 NIIQGECNEUDEOW-UHFFFAOYSA-N 355.394 4.406 30 40 FIEB COc1cccc(/C=C/C(=O)c2ccc(NC(=O)NC(C)C)cc2)c1OC 32831766 VIJBCPFLGKQYBF-JLHYYAGUSA-N 368.433 4.130 30 40 FIEB N#CCCN(CCC(F)(F)F)C(=O)Nc1ccc(N2CCCCC2)cc1 79072132 ADKIALHWILMSRW-UHFFFAOYSA-N 368.403 4.377 30 40 FIEB CCOc1ccc(/N=C2\SCC(=O)N2c2ccc(OCC)cc2)cc1 97492356 PSDUEIUAOUOVNC-VXPUYCOJSA-N 356.447 4.252 30 40 FIEB COc1ccc(Cn2c(C#N)cc(N)c2Cc2cccc(Cl)c2)cc1 225856892 YAGFSGDOJQVBAB-UHFFFAOYSA-N 351.837 4.243 30 40 FIEB C=CCN1C(=O)/C(=C\c2ccc(O[C@@H](C)CC)c(OC)c2)SC1=S 409329998 ITSCIWWBZWZXDX-JASJWYONSA-N 363.504 4.260 30 40 FIEB COc1ccc2nc(SCC(=O)Nc3ccc(C)cc3)c(C#N)cc2c1 1354540 VQXVLZJQDAJRNW-UHFFFAOYSA-N 363.442 4.154 30 40 FIEB CCCCOc1ccccc1/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4401808 DQBRHFRIMZEPDC-LDADJPATSA-N 358.354 4.128 30 40 FIEB CCCC(=O)Nc1ccc(/N=C/c2cc([N+](=O)[O-])cc(OCC)c2O)cc1 4591261 BOWAVYCGTNTPKR-UDWIEESQSA-N 371.393 4.188 30 40 FIEB Cc1cccc2cc(C#N)c(SCC(=O)Nc3cccc(F)c3)nc12 4849039 KDBXKALJHAAVAW-UHFFFAOYSA-N 351.406 4.285 30 40 FIEB C=C(C)Cn1c([C@H]2CC(=O)N(CCc3ccccc3)C2)nc2ccccc21 4911257 UOGHAOWYLPPMDJ-IBGZPJMESA-N 359.473 4.171 30 40 FIEB CO/N=C1\CC(C)(C)Cc2nc(NC(=O)c3ccc(Cl)cc3)sc21 5482250 VUSHHWLXJQKWNC-FYJGNVAPSA-N 363.870 4.372 30 40 FIEB O=C1CCCC2=C1[C@@H](c1ccccc1)c1c(nn(-c3ccccc3)c1O)N2 6139769 NEDVLBJVXXPBHL-GOSISDBHSA-N 357.413 4.142 30 40 FIEB CC(C)CCNC(=O)/C(=C/c1cccc(C#N)c1)c1nc2ccccc2[nH]1 12741413 YZJWPLVNUODTNP-QGOAFFKASA-N 358.445 4.137 30 40 FIEB C[N+](C)(C)/N=C(/CCC/C(=N/[N+](C)(C)C)c1ccccc1)c1ccccc1 17060793 SXYPCUIYGVGESV-HKOLQMFGSA-N 366.553 4.378 30 40 FIEB CCN1C(=O)/C(=C\c2ccc(C)cc2)S/C1=N\c1cccc(C(=O)O)c1 35669395 DHDVCUOFCSFAHZ-OUYOUGTCSA-N 366.442 4.317 30 40 FIEB CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2cccc(C(=O)O)c2)cc1 68601144 RYSHMDHMJGDGPE-UHFFFAOYSA-O 373.476 4.092 30 40 FIEB C[C@H]1CCc2c(sc(NC(=S)NC(=O)c3ccc(F)cc3)c2C#N)C1 827130 GFKXPMURZARDMG-JTQLQIEISA-N 373.478 4.010 30 40 FIEB Fc1cccc(Cl)c1/C=N/N1CCN(c2ccc(Cl)cc2)CC1 1740095 BLRKUAJJYQRREJ-CIAFOILYSA-N 352.240 4.289 30 40 FIEB CCCCOc1ccc(/C=N/n2c(C)nc3c([nH]c4ccccc43)c2=O)cc1 2352510 UZEHFAIVMFYFLH-OEAKJJBVSA-N 374.444 4.247 30 40 FIEB Cc1nc(SCC(=O)Nc2ccccc2C#N)c2oc3ccccc3c2n1 2403225 CYDRYECMHASQES-UHFFFAOYSA-N 374.425 4.287 30 40 FIEB COc1ccc(/C(=N\OC(C)C)[C@H]2C[C@@H]2c2ccc3c(c2)OCO3)cc1 5384440 YMUCSXOQPKCMEH-MVMOUZJFSA-N 353.418 4.357 30 40 FIEB C=CCn1c(SCCCC#N)nc2scc(-c3ccco3)c2c1=O 8668752 CICIXZPLAFTYEV-UHFFFAOYSA-N 357.460 4.300 30 40 FIEB Oc1ccccc1/C=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1 12466054 ADUBFULRLIEADB-KOEQRZSOSA-N 369.468 4.114 30 40 FIEB CC(C)(C)C(=O)C[n+]1cc(-c2ccc(Cl)c(Cl)c2)n2c1CCC2 16976145 JOXDNUUYAAOIBS-UHFFFAOYSA-N 352.285 4.311 30 40 FIEB CC(C)(C)OC(=O)n1cc(C(=O)CC#N)c2cc(Br)ccc21 35605880 MGKRJEHVQMHKNZ-UHFFFAOYSA-N 363.211 4.283 30 40 FIEB CCOc1cc(-c2c(C#N)c(N)nc3c2C[C@H](C(C)(C)C)CC3)ccc1O 36202065 KOMFXVFBYYUAME-CQSZACIVSA-N 365.477 4.458 30 40 FIEB N#Cc1ccc(N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c(F)c1 78880178 AWKVEPZNQQCBLT-OAHLLOKOSA-N 366.371 4.270 30 40 FIEB C=CCOc1cccc(NC(=O)C2CCN(c3ccc(C)cc3)CC2)c1 219858448 GNYKZYPOMJONCP-UHFFFAOYSA-N 350.462 4.415 30 40 FIEB Cc1cc(C)cc(N/N=C2\C(=O)N(C3CSC3)c3ccc(Cl)cc32)c1 223738787 WXSOOCZTKBQVTN-PYCFMQQDSA-N 371.893 4.235 30 40 FIEB CCCO[C@H](C)OCCC#CC[C@H](C)OC(=O)CC(Cl)(Cl)Cl 1642763 FRMWUTYHVZATCK-STQMWFEESA-N 373.704 4.251 30 40 FIEB Cc1cc(C)nc(SCC(=O)/C=C2\N(C)c3ccccc3C2(C)C)n1 3259583 ZVJSFZCADKZHNG-WQRHYEAKSA-N 353.491 4.066 30 40 FIEB N#C[C@H]1C(=O)Nc2nc3ccccc3n2[C@H]1c1ccc(Cl)c(Cl)c1 20637964 AVTVAJOGOSZAQL-BMIGLBTASA-N 357.200 4.024 30 40 FIEB O=C(/C=C/c1cccc(Br)c1)c1ccc(N2CCOCC2)cc1 5129622 FRKNVAHPCFXIRT-RUDMXATFSA-N 372.262 4.182 30 40 FIEB CN(C)/C=C/C(=C\C(=O)C(F)(F)F)Nc1ccc(OC(F)(F)F)cc1 5586240 XFKKDQKAAHCHMQ-MFDVASPDSA-N 368.277 4.088 30 40 FIEB CCC(C)(C)N(CCC#N)C(=O)/C=C/c1c(C)nn(-c2ccccc2)c1C 97165015 QRZCYTWJUZIVRU-BUHFOSPRSA-N 364.493 4.433 30 40 FIEB Cc1ccc(/N=C\c2ccc(N3CCOCC3)cc2)c(Br)c1 409103645 DSEVWSRRJHPNAJ-MOSHPQCFSA-N 359.267 4.345 30 40 FIEB COc1ccc([C@@H]2C3=C(CCCC3=O)N=C3c4ccccc4C(=O)[C@H]32)cc1 20158807 JANRNVVSRSVHGD-CTNGQTDRSA-N 357.409 4.101 30 40 FIEB C=CCOc1ccc(CNc2cccc(C(=O)O)c2)cc1Br 408606188 HOIDMUDPRHZYTE-UHFFFAOYSA-N 362.223 4.324 30 40 FIEB C=CCOc1ccc(NC(=O)C2CCN(c3ccc(C)cc3)CC2)cc1 219858386 WONFXQNJKVCMMQ-UHFFFAOYSA-N 350.462 4.415 30 40 FIEB CC(C)c1nnc2ccc(N=C(O)N3CCC[C@H]3c3cccs3)cn12 330004840 CVVBRRZDXASAKC-AWEZNQCLSA-N 355.467 4.297 30 40 FIEB N#Cc1c(NC(=O)c2cc(=O)c3ccccc3o2)sc2c1CCCCC2 3892570 BJMFFEOQVKQVDB-UHFFFAOYSA-N 364.426 4.247 30 40 FIEB CN(C)N1C(=O)C[C@@H](c2ccc(C(C)(C)C)cc2)C2=C1CC(C)(C)CC2=O 1429999 FPBPENHSQKDPRT-KRWDZBQOSA-N 368.521 4.420 30 40 FIEB Oc1ccccc1-c1cc(-c2ccccc2)nc(N/N=C/c2cccnc2)n1 4844338 SPMBLPOAWICZPD-BUVRLJJBSA-N 367.412 4.357 30 40 FIEB N#CCC[C@@H](C#N)Cn1cnc2cc(-c3ccc(Cl)cc3)sc2c1=O 12908153 DAPPSAAKEQTEHX-LBPRGKRZSA-N 368.849 4.222 30 40 FIEB C=CCN1C(=O)/C(=C\c2c[nH]c3ccccc23)S/C1=N\c1nccs1 13720430 KKDQYTDDNRVLKY-XYGVBGMQSA-N 366.471 4.414 30 40 FIEB CC1(C)CC(=O)c2cc(C#N)c(SCCC(=O)c3ccccc3)nc2C1 13943632 ULFMNVWHICRADF-UHFFFAOYSA-N 364.470 4.473 30 40 FIEB Cc1ccc(N(Cc2ccccc2C#N)S(=O)(=O)c2ccccc2)cc1 15398251 VOMVURISEAJNOX-UHFFFAOYSA-N 362.454 4.262 30 40 FIEB C=CCN(C(=O)c1ccc(Br)o1)c1nc2c(s1)CCCC2 15969002 AKGMAMKPKHWXOH-UHFFFAOYSA-N 367.268 4.210 30 40 FIEB CC1(C)CS/C(=N\Cc2ccccc2)N1C(=O)c1cccc([N+](=O)[O-])c1 18177546 DXUCADGRSCDIFY-ZZEZOPTASA-N 369.446 4.119 30 40 FIEB COc1ccccc1CN/N=C/c1ccc(OC(C)C)cc1OC(C)C 20762029 FVKXMFIUYVYCLK-OEAKJJBVSA-N 356.466 4.393 30 40 FIEB COc1cc(/C=C2\Sc3ccccc3C2=O)cc(Br)c1O 27527779 TYKPRMJYWXJWMX-ZSOIEALJSA-N 363.232 4.493 30 40 FIEB Cc1cc(SCC(=O)NC2(C#N)CCCCCC2)nc2ccccc12 58364434 YKHLIIRWGNDYSY-UHFFFAOYSA-N 353.491 4.368 30 40 FIEB Cc1oc(-c2ccccc2)nc1CO/N=C(/N)Cc1ccccc1Cl 58391629 QRITVFCZYYKSQV-UHFFFAOYSA-N 355.825 4.335 30 40 FIEB C/C(=N\c1ccc(N)cc1)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 100370386 YXEPXOUVZGLYDD-MFKUBSTISA-N 369.424 4.419 30 40 FIEB CCOc1c(C)cc(/C(C)=N/NCc2ccc(OC)c(OC)c2)cc1C 216058922 ADLGSSLGKNXMLC-XQNSMLJCSA-N 356.466 4.233 30 40 FIEB C=CCSc1ccccc1C(=O)N[C@@H](C)c1cc(OC)ccc1OC 224662961 UTKKFJDAJZAMNW-AWEZNQCLSA-N 357.475 4.473 30 40 FIEB C=CCOc1ccc(NS(=O)(=O)c2ccc(OC)c(C(C)C)c2)cc1 408682278 WFRVQPSMHALLFP-UHFFFAOYSA-N 361.463 4.184 30 40 FIEB CCN(CC)c1ccc(/N=C/c2ccc(N3CCOCC3)cc2C)cc1 409094256 CWGXZDXXKUPZLW-HAVVHWLPSA-N 351.494 4.428 30 40 FIEB N#Cc1cc2c(cc1C#N)N(Cc1ccccc1)CCN2Cc1ccccc1 1249252 WVCUSQLNNXNNNA-UHFFFAOYSA-N 364.452 4.457 30 40 FIEB C=C(C)Cn1cnc2c(oc3nc(-c4ccccc4)c4c(c32)CCC4)c1=O 12324726 STYMLNUYHIHSJW-UHFFFAOYSA-N 357.413 4.270 30 40 FIEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H](C)c1ccc(Cl)cc1 12805981 CWIXGTUWPLVTFQ-GFCCVEGCSA-N 353.809 4.395 30 40 FIEB CCN(CC)CCOc1ccccc1O/C(=C\c1ccccc1)C(C)=O 38190936 RQLBJLHRLMDUGQ-XLNRJJMWSA-N 353.462 4.416 30 40 FIEB O=C(/C=C(/O)C(F)(F)C(F)(F)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 100244433 VSGGFMQPXUPTNE-WEVVVXLNSA-N 361.169 4.052 30 40 FIEB COC(=O)c1ccc(/C=N\c2nc3c(s2)Cc2cc(OC)ccc2-3)cc1 409048584 SISPKWUPUWXOQR-NHDPSOOVSA-N 364.426 4.260 30 40 FIEB COc1ccccc1NC(=O)CSc1nc2ccc(C)cc2cc1C#N 976907 PGRQESQQGQSGTG-UHFFFAOYSA-N 363.442 4.154 30 40 FIEB CSc1ccc(/C=N/O[C@@H](C)C(=O)N[C@H](C)CCc2ccccc2)cc1 6087907 DRBMKRUUBHSSJQ-WZKXOHABSA-N 370.518 4.285 30 40 FIEB N#Cc1ccc(Cl)cc1NC(=O)CN(Cc1ccco1)Cc1ccco1 7725772 LXMUKMYVYGGHRH-UHFFFAOYSA-N 369.808 4.039 30 40 FIEB O=C1N/C(=N\c2ccc(F)cc2)S[C@H]1Cc1cccc(C(F)(F)F)c1 13583319 CKGXMIWILCXUKH-AWEZNQCLSA-N 368.355 4.306 30 40 FIEB CN(c1cccc(/N=C/c2ccc(Cl)cc2Cl)c1)S(C)(=O)=O 19855638 UZBDZZCJSJAHEI-VCHYOVAHSA-N 357.262 4.140 30 40 FIEB Cc1ccc(N(CCC#N)C(=O)CN2CCC[C@@H]2c2cccs2)cc1 29122441 SRTTXSADWWZBNN-GOSISDBHSA-N 353.491 4.140 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2cccc(F)c2)C[C@H]1c1cccc(F)c1 97104997 WRIMBNAMJHSDDG-AZUAARDMSA-N 356.368 4.284 30 40 FIEB N#Cc1ccc(-n2nccc2NC(=O)c2ccc(Cl)cc2Cl)cc1 112831696 JZQXGKDHJHWJPI-UHFFFAOYSA-N 357.200 4.303 30 40 FIEB C[C@@H]1CCCN(c2cc(/C(O)=N/[C@@H]3CCOc4ccccc43)ccn2)C1 329647651 JGJYIBPGDFZWAM-CRAIPNDOSA-N 351.450 4.146 30 40 FIEB CC(C)COc1c(Br)cc(Br)cc1/C=N/O 409053335 BYXLTIICIKDVFA-LHHJGKSTSA-N 351.038 4.055 30 40 FIEB CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nc(C)c(C)c(C)c2C#N)c1 5089146 ZZNHTIDQVCSWDR-OAHLLOKOSA-N 367.474 4.200 30 40 FIEB CC[C@H]1C/C(=N\OC)c2cc(-c3ccc(Br)cc3)nnc2C1 5197109 ZTUGOPPWZDJEOW-NURVJYJKSA-N 360.255 4.229 30 40 FIEB COc1cc(/C=N/OC(=O)Nc2cccc(C(F)(F)F)c2)ccc1O 5720218 JYHDTFDWCUYKBP-AWQFTUOYSA-N 354.284 4.002 30 40 FIEB N#Cc1ccsc1NC(=O)CSc1nccn1-c1ccc(Cl)cc1 5972443 LSTVANSCANRHKX-UHFFFAOYSA-N 374.878 4.190 30 40 FIEB N#Cc1ccc(-c2ccc(F)cc2)nc1Sc1ncccc1[N+](=O)[O-] 13575669 NRSDUWUUADZBCV-UHFFFAOYSA-N 352.350 4.214 30 40 FIEB O=C1N/C(=N\c2ccc(Cl)cc2)S/C1=C\c1ccc(N2CCCC2)o1 18283546 STQZNOLVSXGOQM-PTNGSMBKSA-N 373.865 4.425 30 40 FIEB COc1ccccc1CN/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 20761848 MLKUUWIYFHOLHJ-LPYMAVHISA-N 365.389 4.296 30 40 FIEB N#Cc1ccccc1-c1ccc(Cn2nc(-c3ccccc3)ccc2=O)cc1 65551475 LDSRWLPOJBHMFU-UHFFFAOYSA-N 363.420 4.497 30 40 FIEB COc1cc2c(cc1OC)C(=O)/C(=C\c1ccc(OC)c(OC(C)C)c1)C2 85877799 AGFQXHXKDZTEHS-PXNMLYILSA-N 368.429 4.322 30 40 FIEB biogenic CCCCCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC)cc1 98050608 NCVPPCLYJDZSTE-IBGZPJMESA-N 374.481 4.227 30 40 FIEB O=[N+]([O-])c1cc(Br)cc(/C=N\c2ccc(Cl)cc2)c1O 109059168 INGGZVXMYBGNNE-APSNUPSMSA-N 355.575 4.467 30 40 FIEB O=C(/C=C(\Nc1ccc(Br)cc1)c1ccncc1)C(F)(F)F 408738079 ITYMOYYCKRQJME-LCYFTJDESA-N 371.156 4.429 30 40 FIEB Oc1ccc(/C=N/c2cccc(Cl)c2)cc1I 408964294 QQDGJRZVSKTXOT-LZYBPNLTSA-N 357.578 4.401 30 40 FIEB Cn1cc(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)c2ccccc21 2445989 OALOBTQWRROUIS-LICLKQGHSA-N 351.406 4.209 30 40 FIEB CCOc1cc(/C=C2/C(=O)ON=C2C)ccc1OCc1cccc(F)c1 4320998 OMHOQFSAIDQNDY-LICLKQGHSA-N 355.365 4.120 30 40 FIEB COc1cccc(/C=C2\S/C(=N\c3cc(Cl)ccc3C)NC2=O)c1O 5006557 KTTJIZOESKSIAU-NVNXTCNLSA-N 374.849 4.254 30 40 FIEB COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC)c(OC)c2)cc1F 7336152 IOOSCGWQLPDIBE-GQCTYLIASA-N 350.773 4.401 30 40 FIEB CCOc1ccc(C(=O)[C@H](C)[n+]2cc(-c3ccccc3)n3c2CCC3)cc1 16995821 VAJAMUZVNGDPFD-KRWDZBQOSA-N 361.465 4.231 30 40 FIEB COC(=O)c1ccc(/C=C2/S/C(=N\c3ccc(Cl)cc3)NC2=O)cc1 35624685 YXFOCMDMXIHULN-XNTDXEJSSA-N 372.833 4.018 30 40 FIEB COc1cccc(/C=N/c2ccc(N3CCOCC3)cc2)c1OC(C)C 101627350 MXVJUXDHKLZZDM-PXLXIMEGSA-N 354.450 4.070 30 40 FIEB CCOC(=O)c1sc(OCc2cccc3ccccc23)c(C#N)c1N 225850688 BMEOEILNDPOOOH-UHFFFAOYSA-N 352.415 4.111 30 40 FIEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@@H]3C[C@H]3O[C@@]32C(C)=O)C1 253531238 YRLVTBXOGJMZNC-UNIMUPJHSA-N 372.505 4.217 30 40 FIEB biogenic C=CCc1cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)ccc1O 408767767 NJCWAQDEHKPQEO-FNGUVFISSA-N 366.486 4.283 30 40 FIEB COC(=O)c1ccc(/N=C/c2cccn2-c2ccc(C(=O)O)cc2)c(C)c1 409255749 ZNOKDVPBCLKBNF-LPYMAVHISA-N 362.385 4.021 30 40 FIEB N#Cc1ccc(-c2ccc(OCC(=O)N3CCc4ccccc4C3)cc2)cc1 3359398 YTMVABRXDCGROE-UHFFFAOYSA-N 368.436 4.189 30 40 FIEB CC(=O)Nc1ccc(/C=N/N=C(/C(=O)c2ccccc2)c2ccccc2)cc1 3574608 HZOFYXBNJSWLAT-CFYBRWESSA-N 369.424 4.351 30 40 FIEB C=C(C)Cn1c([C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)nc2ccccc21 4943164 IYKYWFNJHVTBSM-MRXNPFEDSA-N 361.445 4.142 30 40 FIEB CCCn1c(S[C@H](C)C(=O)Nc2ccc(C#N)cc2)nc2ccccc21 7718692 NEJQRBCZGKPGSS-CQSZACIVSA-N 364.474 4.437 30 40 FIEB O=C1C(O)=C(/C=C/C(C(F)(F)F)C(F)(F)F)C(=O)c2ccccc21 16925344 QDLKRNRZBLFMMG-AATRIKPKSA-N 350.214 4.175 30 40 FIEB CCCc1nc(C#N)c(N2CCC(c3nc4ccccc4s3)CC2)o1 27562790 HRLLGQDNHNUXMS-UHFFFAOYSA-N 352.463 4.492 30 40 FIEB COc1cc(/C=C2/Oc3cc(O)ccc3C2=O)cc(Cl)c1OC(F)F 96930464 UHDVOONHOOQQRI-WLRTZDKTSA-N 368.719 4.272 30 40 FIEB O=S(=O)(OCCC[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccc(Br)cc1 100184624 YWTFWGLNBUOVSE-MCIONIFRSA-N 371.296 4.147 30 40 FIEB N#Cc1c(OCc2cccc3ccccc23)nn(Cc2ccccc2F)c1N 225841563 VOLQSMILVUMNSK-UHFFFAOYSA-N 372.403 4.257 30 40 FIEB O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1ccco1 409290760 UXICPFIXXOSVOZ-UHFFFAOYSA-N 355.353 4.285 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccccc2)C[C@H]1c1cccc(N(C)C)c1 1554503054 BZFSZKVSYAZXCK-UNMCSNQZSA-N 363.457 4.072 30 40 FIEB Cc1cccc([C@@H]2CC(=O)N(N(C)C)C3=C2C(=O)C[C@@H](c2ccccc2)C3)c1 1430117 HZHVIKCXPYCTJH-PMACEKPBSA-N 374.484 4.188 30 40 FIEB Cc1nc2c(ccc3nc(NC(=O)c4ccc(C#N)cc4)sc32)s1 2475050 FJZDQWPWQNNLRT-UHFFFAOYSA-N 350.428 4.338 30 40 FIEB Cc1ccc(-c2nnc(S)n2/N=C\c2ccc(Br)cc2)cc1 6032862 LSPMRWVVTINAFO-ZDLGFXPLSA-N 373.279 4.187 30 40 FIEB CCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)c2ccc(Cl)cc2)cc1 6046302 WMANOKRXOYCIBZ-SFHVURJKSA-N 370.836 4.250 30 40 FIEB COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3onc(C)c32)c(OC)c1 13689077 PTUPKMBMEUFTFF-GOSISDBHSA-N 368.433 4.201 30 40 FIEB COc1ccc(/C=C2\S/C(=N\c3ccccc3Cl)NC2=O)c(OC)c1 13712296 GFDAIVBYMULHAC-SXGWCWSVSA-N 374.849 4.249 30 40 FIEB Cc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)c(C)n1-c1cccnc1 59590460 VDEMAWVKXQWTRW-QGZVFWFLSA-N 356.385 4.120 30 40 FIEB CC(=O)Nc1ccc(/C=C2/COc3ccc(Br)cc3C2=O)cc1 96973225 MUPKWRGPDUQNJW-JYRVWZFOSA-N 372.218 4.066 30 40 FIEB CN1C(=O)/C(=C/c2ccc(Cl)cc2)S/C1=N/c1ccc(C(=O)O)cc1 100936929 SZBGLIIBJOOZPV-DOOOOMTHSA-N 372.833 4.272 30 40 FIEB COc1cccc(/C=N/c2nc3c(s2)COc2cc(OC)ccc2-3)c1 408723668 ZLLZETNXZULRKZ-KEBDBYFISA-N 352.415 4.470 30 40 FIEB O=[N+]([O-])c1cccc(/C=N/OCc2ccc(Br)cc2F)c1 3321235 WWMKIPZLRSMYMW-CAOOACKPSA-N 353.147 4.047 30 40 FIEB CN1C(=O)[C@@]2(Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)c2ccccc21 4414088 WWZDXIARHJVMRX-HSZRJFAPSA-N 373.456 4.039 30 40 FIEB CCCC[C@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccccc1[N+](=O)[O-] 4626452 VRPWAJRKALCHQX-KSSFIOAISA-N 374.437 4.096 30 40 FIEB CCOc1cccc(/C=N/c2ccc(NC(=O)c3ccco3)cc2)c1O 5466791 NIFIPAKHVREWCO-FYJGNVAPSA-N 350.374 4.387 30 40 FIEB N#Cc1nc(-c2ccc(Cl)cc2)oc1NCc1ccc2c(c1)OCO2 6526887 KHOOWJREKLGCBB-UHFFFAOYSA-N 353.765 4.207 30 40 FIEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/Cc2ccc(C(=O)O)cc2)o1 16283265 TYGWDOWEEZOBEQ-WSDLNYQXSA-N 363.369 4.271 30 40 FIEB COc1ccc(/C=C/c2nc(C#N)c(N3C[C@H](C)C[C@@H](C)C3)o2)cc1OC 16768426 MJDZCUALLAUPBV-OCESRQBRSA-N 367.449 4.216 30 40 FIEB C=CCNc1nc(Nc2ccc(OC)cc2)c2cnn(-c3ccccc3)c2n1 16954255 BYWXNUNXKSAFSD-UHFFFAOYSA-N 372.432 4.166 30 40 FIEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccccc1C 20633182 LGEYFPGIMGBWLE-HXUWFJFHSA-N 359.429 4.363 30 40 FIEB N#CCCn1c(SCCC(=O)Nc2ccccc2F)nc2ccccc21 31704663 KZAPQYNFPGRDJA-UHFFFAOYSA-N 368.437 4.210 30 40 FIEB Cc1ccccc1/N=C1/NC(=O)/C(=C/c2cc([N+](=O)[O-])ccc2Cl)S1 33593721 HRYIOLLDASWPND-DHDCSXOGSA-N 373.821 4.448 30 40 FIEB Cc1ccc(N(CCC#N)C(=O)CN2CCC[C@H]2c2ccsc2)cc1C 48309246 CFVGIFAZOANBOI-FQEVSTJZSA-N 367.518 4.449 30 40 FIEB CCOC(=O)c1nn(-c2ccccc2)cc1/C=C/C(=O)c1cccs1 54801674 IDQGDKXVVPEECR-ZHACJKMWSA-N 352.415 4.007 30 40 FIEB CC(C)N1CCC(c2cc(-c3cc(F)c(F)c(F)c3)nc(N)c2C#N)CC1 71738720 SYLGGVKBJGVLFO-UHFFFAOYSA-N 374.410 4.208 30 40 FIEB FC(F)(F)[C@](F)(Br)[C@@](F)(Br)C(F)(F)F 95676718 WDEZAGXZUSQBLW-LWMBPPNESA-N 359.836 4.232 30 40 FIEB in-vitro N#CCc1ccc(NC(=O)CCCN2C(=O)c3cccc4cccc2c34)cc1 219457467 SCFJWBWTMMTPTE-UHFFFAOYSA-N 369.424 4.285 30 40 FIEB C=CCN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1cccs1 225144118 UBCHPMLXQLXAOR-UHFFFAOYSA-N 363.504 4.451 30 40 FIEB N#CCOc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc1 408987562 FSRJFVRKNUXBIS-WJDWOHSUSA-N 369.833 4.134 30 40 FIEB C[C@@H](C#N)Sc1nnc(-c2ccccc2F)n1CCc1ccccc1 5326090 SGFUDQAMWGOHKZ-AWEZNQCLSA-N 352.438 4.331 30 40 FIEB C=C(C)CNC(=S)Nc1ccc(NC(=S)NCC(=C)C)c(Cl)c1 7570817 PPTGQIQMPHQRBL-UHFFFAOYSA-N 368.959 4.065 30 40 FIEB Cc1cc(C)c2nc(NCCNC(=O)Nc3ccccc3C)c(C#N)cc2c1 35312358 UUEYOTBOLDCCGY-UHFFFAOYSA-N 373.460 4.265 30 40 FIEB Cc1cc(C)cc(OCC/C(O)=N/S(=O)(=O)c2ccc(Cl)cc2)c1 48418040 MOEHLFSLWCCJEK-UHFFFAOYSA-N 367.854 4.071 30 40 FIEB N#Cc1c(NC(=O)C2=NO[C@@H](c3ccccc3)C2)sc2c1CCCCC2 64778572 JLTNJVBOXCGHKH-QGZVFWFLSA-N 365.458 4.345 30 40 FIEB CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)ccc1O 101523237 FSVQGYUPCMIJDI-KDWIEBRMSA-N 368.458 4.333 30 40 FIEB CCCCCCCC[C@@H](C)NCCOC(=O)c1ccc([N+](=O)[O-])cc1 104101697 PXBSDPLTIJHXDL-MRXNPFEDSA-N 350.459 4.480 30 40 FIEB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@](O)(C#CCl)CC[C@@]43C)[C@@H]1CC[C@@H]2O 118914842 WEJOBCNWKXEZFL-UAMJIQGISA-N 350.930 4.321 30 40 FIEB COCc1ccc(NC(=O)N[C@@H](C)C2CCC(F)(F)CC2)cc1C#N 1616042951 XBBMVJHEVAKBCR-LBPRGKRZSA-N 351.397 4.040 30 40 FIEB COc1cc(/C=C/C(=O)c2ccc(C)s2)cc(Br)c1O 8080313 PFXZZEFLGGMYDA-SNAWJCMRSA-N 353.237 4.429 30 40 FIEB C=C(C)Cn1cnc2c(oc3nc(C(C)C)c4c(c32)CC(C)(C)OC4)c1=O 12324849 PAPDSKFUTAIMFF-UHFFFAOYSA-N 367.449 4.089 30 40 FIEB COc1ccc([C@H]2CCCCCN2CC(=O)Nc2ccccc2C#N)cc1 12911037 GVQLYBWYBLFWCU-OAQYLSRUSA-N 363.461 4.123 30 40 FIEB Cc1sc(NC(=O)COc2ccc(Br)cc2)c(C#N)c1C 14596028 VECNGZHOMMRKBH-UHFFFAOYSA-N 365.252 4.017 30 40 FIEB COc1ccc(C(=O)/C=C/Nc2ccccc2Br)c(OC)c1 15659941 OSQOOAMTIGQLHK-MDZDMXLPSA-N 362.223 4.275 30 40 FIEB C=C(C)COC(=O)c1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1 32666466 VZKJNAZBCLEHHG-UHFFFAOYSA-N 364.397 4.413 30 40 FIEB CC(=O)C1=C(C)OC(C)=C[C@]12Nc1cc(C)cc(Br)c1O2 40546266 ZAIXFAAVAQECMO-MRXNPFEDSA-N 350.212 4.055 30 40 FIEB N#Cc1c(OCc2ccccc2)nn(Cc2ccc(Cl)c(Cl)c2)c1N 225846995 NSSAMFZGPDGTGY-UHFFFAOYSA-N 373.243 4.271 30 40 FIEB CCCCCCCCCCCC(=O)N(C)[C@@H](CCCCNC)C(=O)O 230485997 SDZJPZZWGGKFDW-SFHVURJKSA-N 356.551 4.209 30 40 FIEB COC(=O)c1ccc(C)c(-c2ccc(/C=N/c3ccc(C(=O)O)cc3)o2)c1 408912509 HRSIBYMWVOXNJU-WSDLNYQXSA-N 363.369 4.490 30 40 FIEB FC(F)(F)C(F)(F)C(F)(F)N/N=C\c1ccccc1Br 409033630 FWIUIZUNSHZEPV-IPKBDRFQSA-N 367.062 4.163 30 40 FIEB O=C(C[n+]1cccc(Br)c1)c1ccc2c(c1)Cc1ccccc1-2 2570359 XSIPQEZEBXDXFG-UHFFFAOYSA-N 365.250 4.191 30 40 FIEB CC1=CC(=O)C(C(C)C)=C/C1=N\OC(=O)c1ccccc1Br 5247885 WGKZIOPNXFIFTB-XDJHFCHBSA-N 362.223 4.073 30 40 FIEB Cc1ccc(/N=C2\NC(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)S2)cc1 5531938 LKJFEVJLZCHMNR-OAHLLOKOSA-N 364.392 4.476 30 40 FIEB CCOc1c(Cl)cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1OC 12791014 ZJKIXZXFSJOCSW-GQCTYLIASA-N 374.820 4.415 30 40 FIEB COc1ccccc1CN/N=C/c1cccc(OCc2ccc(C#N)cc2)c1 20762924 XKOHHTORJPWRPY-MFKUBSTISA-N 371.440 4.270 30 40 FIEB Cc1cccc(/N=C/c2c(O)c([N+](=O)[O-])cc3oc4c(c23)CCCC4)n1 34097986 OYQUDQWHTZKJLO-KEBDBYFISA-N 351.362 4.379 30 40 FIEB C=C(C)COc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 45951885 NMUGYFRBQGJBRT-UHFFFAOYSA-N 352.459 4.281 30 40 FIEB O=S(=O)(Nc1cccnc1)c1ccc(/N=C/c2ccc(Cl)cc2)cc1 100399301 JLJRPFJAPGMEJM-CIAFOILYSA-N 371.849 4.286 30 40 FIEB N#C/C(=N\Nc1ccc(Br)cc1)C(=O)c1ccccc1Cl 103743954 YAKUCFVCTOKDFA-XSFVSMFZSA-N 362.614 4.277 30 40 FIEB COc1ccc([C@H]2CC(O)=C/C(=N\c3ccc(CC(=O)O)cc3)C2)cc1 104087994 AKYGANLDALJVNW-USCXLKSCSA-N 351.402 4.414 30 40 FIEB O=[N+]([O-])c1ccc(N/N=C\c2ccc(OCc3cccc(F)c3)cc2)nc1 138101087 PDHIZXZXLXRLGW-JJFYIABZSA-N 366.352 4.154 30 40 FIEB N#Cc1c(Cc2ccc(Cl)cc2)nn(Cc2ccccc2Cl)c1N 225839412 BYWZNXGLZPPUJZ-UHFFFAOYSA-N 357.244 4.283 30 40 FIEB Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)O)n2)cc1 799002 IPXSVYLPDCRNEI-UHFFFAOYSA-N 352.337 4.124 30 40 FIEB CCCc1nc2ccccc2c(=O)n1/N=C/c1c(O)ccc2ccccc12 1307106 MMMBVCLSHOFKAA-OEAKJJBVSA-N 357.413 4.090 30 40 FIEB N#CCSc1nnc(COc2ccc(Cl)cc2)n1-c1ccccc1 4124626 CPDGTTOBMRGZLF-UHFFFAOYSA-N 356.838 4.115 30 40 FIEB CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)[C@H](C)C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C 4692630 CTXGUGSLVSMAHY-AJMINZBYSA-N 362.485 4.032 30 40 FIEB in-vitro CCCOc1ccc(/C=N/Nc2ccc(C(=O)O)cc2)c(OCCC)c1 4926709 XUWZBFCMRKUFHI-KGENOOAVSA-N 356.422 4.408 30 40 FIEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)S2)cc1C 12032564 LOFSJAUWHKSDBC-YBEGLDIGSA-N 353.403 4.103 30 40 FIEB COc1cc(C(=O)/C=C/c2cc(Br)ccc2OC)ccc1O 13137337 WNRAXLSKKWHESB-GQCTYLIASA-N 363.207 4.068 30 40 FIEB Cc1[nH]c2ccccc2c1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 24749820 NOCHBSNAOJFETC-UHFFFAOYSA-N 370.374 4.206 30 40 FIEB COc1ccc2cc([C@@H](C)C(=O)N(C)Cc3cccc(C#N)c3)ccc2c1 32796577 MQXGLOXVFOXSTN-MRXNPFEDSA-N 358.441 4.482 30 40 FIEB C=CCc1ccc(O[C@H](C)C(=O)Nc2ccc(F)c(F)c2F)c(OC)c1 32958192 KLINEMSCVFOQHX-LLVKDONJSA-N 365.351 4.247 30 40 FIEB COc1cc([N+](=O)[O-])cc(/C=N/c2ccccc2N2CCCCC2)c1O 66339443 DAYOFJMGEUKXJZ-DEDYPNTBSA-N 355.394 4.050 30 40 FIEB Cn1/c(=N/C(=O)c2ccc(C#N)cc2)sc2cc(Cl)cc(Cl)c21 100908730 SMIGRITXZDQJIM-SILNSSARSA-N 362.241 4.159 30 40 FIEB CSc1nn(-c2ccccc2)c(NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)c1C#N 105887375 ORBPTMWYDZBANG-KKUMJFAQSA-N 366.490 4.231 30 40 FIEB CCc1ccc2c(c1)/C(=N/Nc1ccc(C)cc1C)C(=O)N2C1CSC1 223725259 CTFSHHIXZPFGGV-ATJXCDBQSA-N 365.502 4.144 30 40 FIEB CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C 1677367 HHOPZZNLTLSBAF-JJQUPVKYSA-N 358.478 4.019 30 40 FIEB biogenic C=CCOc1ccccc1/C=C1\S/C(=N\c2ccccc2OC)NC1=O 7276543 GXGRCQJJSMTISS-AQTBWJFISA-N 366.442 4.152 30 40 FIEB Cc1sc(NC(=S)NC(=O)c2cc3ccccc3o2)c(C#N)c1C 16265848 JJCDCDMVXANNAI-UHFFFAOYSA-N 355.444 4.110 30 40 FIEB C[N+](C)(C)/N=C(\CCC/C(=N\[N+](C)(C)C)c1ccccc1)c1ccccc1 17060789 SXYPCUIYGVGESV-BQASJOSNSA-N 366.553 4.378 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(F)c2)C[C@@H]1c1cccc(OC)c1 97104966 FIEASBBHPYPMEO-CTNGQTDRSA-N 368.404 4.154 30 40 FIEB O=C(/C(=N\NC(=S)Nc1ccccc1)c1ccccc1)c1ccccc1 100923248 VURQURATYFHYDF-NMWGTECJSA-N 359.454 4.260 30 40 FIEB Cc1c(Cl)cccc1NC(=O)[C@H](C#N)C(=O)c1ccc2ccccc2n1 103504642 ZXZFNSQISNNHOF-CQSZACIVSA-N 363.804 4.158 30 40 FIEB CCCCCCCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1C 408560857 PSRCGCVGKKSUCJ-MRXNPFEDSA-N 374.554 4.298 30 40 FIEB CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1 409279858 IRXSYIKUZNGFAD-UHFFFAOYSA-N 370.250 4.165 30 40 FIEB COc1ccc(/C(=N\O)c2ccccc2NC(=O)c2ccc(C)cc2)cc1 990215 MRTQALTWUCQXEC-DARPEHSRSA-N 360.413 4.483 30 40 FIEB N#CC1(C#N)[C@@H](c2ccccc2)[C@H](C(=O)C2CC2)N2c3ccccc3C=C[C@@H]21 4728977 NIMNLLIEQSFNSB-BHIFYINESA-N 365.436 4.067 30 40 FIEB N#Cc1ccccc1COC(=O)c1ccccc1OCCOc1ccccc1 6529950 ILXANYYRONFSDF-UHFFFAOYSA-N 373.408 4.373 30 40 FIEB C=CCn1c(SCc2ccc(C(=O)O)cc2)nnc1-c1cccc(C)c1 8848152 NOSMPOHFAVOCAA-UHFFFAOYSA-N 365.458 4.430 30 40 FIEB CCc1cc2c(SCC(=O)Nc3oc(C)c(C)c3C#N)ncnc2s1 14085279 OYBWKWWMFZDTNB-UHFFFAOYSA-N 372.475 4.066 30 40 FIEB COc1cc(/C=N/c2cccnc2)ccc1OCc1cccc(C(=O)O)c1 59249967 YTIZBIDEGXLIKX-FSJBWODESA-N 362.385 4.118 30 40 FIEB Cn1nccc1/C=C1\C[C@H]2[C@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]2(C)C1=O 71785085 ANYSKZGJSBHZPP-AFGIOXCNSA-N 362.473 4.244 30 40 FIEB N#Cc1ccc(C(F)(F)F)c(N2CCC[C@@H](c3nnc4ccccn34)C2)c1 120873474 QLNICVZWLDFJCR-CQSZACIVSA-N 371.366 4.004 30 40 FIEB N#Cc1cc(N)c(Cc2ccc(Cl)cc2)n1CCOc1ccccc1 225861524 RIKORHQRXHRTMU-UHFFFAOYSA-N 351.837 4.265 30 40 FIEB COc1ccc(N=C2NC(=O)/C(=C\c3ccc(OC)c(Cl)c3)S2)cc1 408781249 BJAVICXJRKYHRJ-MHWRWJLKSA-N 374.849 4.249 30 40 FIEB CC1=NOC(=O)/C1=C/c1cccc(OCc2ccc(Br)cc2)c1 409092575 VNYMZKBARFZXOK-LICLKQGHSA-N 372.218 4.344 30 40 FIEB Cc1ccc(/N=C/c2cc(Br)ccc2OCC(=O)O)cc1C 409216118 FHHKVHOYFQZJPB-DJKKODMXSA-N 362.223 4.280 30 40 FIEB Cc1ccc(C)c2nc(SCC(=O)NCc3cccs3)c(C#N)cc12 1354302 YPJRYNWORMMGEI-UHFFFAOYSA-N 367.499 4.193 30 40 FIEB CC(=O)C1=C(C)N(C)C2=C(C(=O)c3ccccc32)[C@@H]1c1cccc([N+](=O)[O-])c1 988612 SRELXCORXXSZPK-LJQANCHMSA-N 374.396 4.094 30 40 FIEB C=CCn1cnn(CN2CCc3sccc3[C@@H]2c2cccs2)c1=S 23855680 MOJBMANFKOTBOI-MRXNPFEDSA-N 374.560 4.328 30 40 FIEB CCSc1nc2n(n1)[C@@H](c1ccccc1)C1=C(CC(C)(C)CC1=O)N2 4436324 ANISLGPXRXUDRU-INIZCTEOSA-N 354.479 4.048 30 40 FIEB Cc1c(C(=O)O)ccc2c1N[C@@H](c1ccc(OCC#N)cc1)[C@@H]1CC=C[C@H]21 4608564 NIVDEQFZMCZBLY-UEXGIBASSA-N 360.413 4.422 30 40 FIEB N#Cc1ccc(CN2CCC3(CC2)C[C@H]3c2nnc(-c3ccccc3)o2)cc1 71889699 KRDUGMPCLRUPMY-FQEVSTJZSA-N 370.456 4.378 30 40 FIEB COc1ccc(CN(Cc2ccc(C#N)cc2OC(F)F)C2CC2)cc1 95409433 CMFGDMCLECPTHC-UHFFFAOYSA-N 358.388 4.333 30 40 FIEB CC/N=C1/S/C(=C/c2cc(Cl)c(OCC)c(OC)c2)C(=O)N1CC 408929339 IXANKOCFOPVESE-KOJZBUGZSA-N 368.886 4.059 30 40 FIEB CCc1nnc(S)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 408861145 NYJSTOZVPYMTEC-RGVLZGJSSA-N 372.881 4.244 30 40 FIEB COc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(C2(C#N)CC2)cc1 223013656 HLPOJILHMUGNIM-UHFFFAOYSA-N 370.474 4.175 30 40 FIEB C=CCSc1nnc(NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)s1 223310548 SJTMIEDDOMOUPI-GFCCVEGCSA-N 371.487 4.375 30 40 FIEB C=CCO[C@H]1CC2(CCN(C(=O)C3CC(F)C3)CC2)c2cc(C)ccc21 585105639 NDOSPPOVBYVQNW-UHYCVJNDSA-N 357.469 4.251 30 40 FIEB N#CCOc1cc(F)ccc1NCc1nnc(-c2cccc(Cl)c2)o1 150771378 VFKWAHVTGWJXMB-UHFFFAOYSA-N 358.760 4.044 30 40 FIEB C#CCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(C)cc3)c2C)C1=O 4092065 ZMVINJSEAUNLFO-PDGQHHTCSA-N 350.443 4.072 30 40 FIEB COc1ccc(/C=C/C(=O)c2cc(Br)ccc2O)c(OC)c1 5047281 BXFYLSHHGBFFSH-QPJJXVBHSA-N 363.207 4.068 30 40 FIEB biogenic Cc1ccc(-c2csc3ncn(Cc4ccc(C#N)cc4)c(=O)c23)s1 5351881 BZRGQCHCYYQFFB-UHFFFAOYSA-N 363.467 4.415 30 40 FIEB CN(Cc1ccccc1)C(=O)c1ccccc1C(=O)Nc1ccc(C#N)cc1 6085327 KTBKPIUXVKIVDL-UHFFFAOYSA-N 369.424 4.083 30 40 FIEB O=C(O)COc1ccc(C(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 6432725 KLJHAGNMDKSOFU-XBXARRHUSA-N 351.185 4.353 30 40 FIEB Cc1nc2cc(NC(=O)c3ccc(C#N)cc3)ccc2n1-c1ccccc1 7594923 PRLVFFHXCQWNQM-UHFFFAOYSA-N 352.397 4.458 30 40 FIEB CCc1nc(S[C@@H](C(=O)O)c2ccccc2)c(C#N)c2c1CCCC2 12249729 XXHFXBXEQXQGOI-GOSISDBHSA-N 352.459 4.312 30 40 FIEB C/C(=N\OCC(=O)N[C@H](C)CCc1ccccc1)c1cc2ccccc2o1 14351628 HQMMXNDREVJZSC-LXUZAUPUSA-N 364.445 4.311 30 40 FIEB C=CCc1cc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)ccc1OC 14400172 VUMRCJWXBFZMTD-UHFFFAOYSA-N 366.461 4.204 30 40 FIEB N#Cc1ccccc1COc1ccccc1/C=N\Nc1ccc([N+](=O)[O-])cc1 15229928 KWUHKWPAXUVGRX-UCQKPKSFSA-N 372.384 4.491 30 40 FIEB O=[N+]([O-])c1cc(Cl)cc(/C=N/Nc2cccc(C(F)(F)F)c2)c1O 38179114 AXPWPPVNRKXSDS-FBCYGCLPSA-N 359.691 4.419 30 40 FIEB CCOc1ccccc1-c1nc(CC(=O)Nc2sccc2C#N)cs1 40032345 VFJYJSWPHOFNAN-UHFFFAOYSA-N 369.471 4.323 30 40 FIEB C=C(C)COc1cccc(C(=O)Nc2ccccc2C(=O)NC(C)C)c1 219780325 FOUVWGPANJRFEF-UHFFFAOYSA-N 352.434 4.032 30 40 FIEB [O-]/[N+](=C/c1cc(Br)c(O)c(Br)c1)c1ccccc1 952574 BQSSFWKJUJSXQH-LZYBPNLTSA-N 371.028 4.178 30 40 FIEB CC1(C)CC(=O)C2=C(C1)N=C1SCCC(=O)N1[C@@H]2c1ccc(Cl)cc1 2481142 WNGDLXKCBFUISA-QGZVFWFLSA-N 374.893 4.359 30 40 FIEB O=C(c1cc2ccccc2oc1=O)N1CCCS/C1=N\c1ccccc1 2651577 MQVWRZPGACDAEU-MRCUWXFGSA-N 364.426 4.060 30 40 FIEB C=CCn1c(-c2cccc([N+](=O)[O-])c2)cs/c1=N\Cc1ccccc1 4528673 PKIDGBADGQIIOJ-VXPUYCOJSA-N 351.431 4.412 30 40 FIEB CC(C)(C)c1csc(N/N=C/c2cc(Br)ccc2O)n1 4592858 GVVPLLIYMIICRY-FRKPEAEDSA-N 354.273 4.355 30 40 FIEB COc1cccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CCC4)no2)c1 4880816 RMFLQASLEHGJGV-UHFFFAOYSA-N 365.414 4.024 30 40 FIEB N/C(=N\OC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1Cl 4898374 BDYVBYLAZWWZTD-UHFFFAOYSA-N 364.832 4.413 30 40 FIEB CCOc1ccc(/C=C2/S/C(=N\c3ccccc3)NC2=O)c(OCC)c1 13476971 FUIPKENMFFOOOL-LDADJPATSA-N 368.458 4.376 30 40 FIEB N#Cc1ccccc1CSc1nnc(COc2ccccc2Cl)o1 19124144 KEPKPDMJXBODJH-UHFFFAOYSA-N 357.822 4.466 30 40 FIEB N#Cc1ccc(C(=O)Nc2ccc(Br)c3cccnc23)cc1 27930135 UHXBZDVGJAXRLJ-UHFFFAOYSA-N 352.191 4.121 30 40 FIEB Cc1nc(S[C@H](C)C(=O)NC[C@@H](C)c2ccccc2)c(C#N)c(C)c1C 32887942 JKUJOQKORAYGEK-CXAGYDPISA-N 367.518 4.279 30 40 FIEB N#Cc1c2c(c(=O)n3c4ccccc4n(Cc4ccc(Cl)cc4)c13)CCC2 36646029 RNIBXFRZKQBSCV-UHFFFAOYSA-N 373.843 4.316 30 40 FIEB COc1cc(/C=C2/CSc3c(F)cccc3C2=O)cc(OC)c1OC 96925163 XADHFLPYZRFJET-GHXNOFRVSA-N 360.406 4.224 30 40 FIEB O=C1C(=O)N(c2ccccc2)[C@@H](c2ccccc2)/C1=C(\O)c1ccccc1 100439890 UQBGJFLODCDKNC-NHFXJNLRSA-N 355.393 4.313 30 40 FIEB Cc1ccccc1COc1nn(Cc2cccc3ccccc23)c(N)c1C#N 225848905 ZKTVZMDNVNZBTI-UHFFFAOYSA-N 368.440 4.426 30 40 FIEB C=CCn1c([C@@H]2CC(=O)N(c3ccccc3Cl)C2)nc2ccccc21 4385041 VNXSQHPPYNBEQH-CQSZACIVSA-N 351.837 4.396 30 40 FIEB C/C(=N\Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc2c(c1)OCO2 6513090 GSAYMNKYNQDHRS-AWQFTUOYSA-N 367.283 4.178 30 40 FIEB Cc1nc(C(F)(F)F)ccc1C(=O)Nc1sc2c(c1C#N)CCCC2 84028753 CHIWVWXNJSPZDH-UHFFFAOYSA-N 365.380 4.473 30 40 FIEB Oc1nc2ccccc2cc1/C=N/C1CCN(CCc2ccccc2)CC1 102797633 YSCWHCPEKPSBRP-JJIBRWJFSA-N 359.473 4.066 30 40 FIEB CCCN1C(=O)/C(=C\c2cccc(OC)c2O)S/C1=N/c1ccccc1 103217607 GHQKAXCGUHYHPR-NLIDQGKYSA-N 368.458 4.415 30 40 FIEB COc1ccc2c(c1)CCC[C@@H]2NC(=S)Nc1ccc(CC#N)cc1 225703132 OEAAVKBAOIVLER-IBGZPJMESA-N 351.475 4.125 30 40 FIEB CC[C@H]1c2ccsc2CCN1C(O)=Nc1ccc2nnc(C(C)C)n2c1 330015351 NUWUSERQRURLDF-HNNXBMFYSA-N 369.494 4.469 30 40 FIEB CCSc1nc2n(n1)[C@@H](c1cccs1)C1=C(CC(C)(C)CC1=O)N2 4436387 UTEFHJHKKGWFBP-AWEZNQCLSA-N 360.508 4.110 30 40 FIEB Cc1oc(/N=C/c2cccc(I)c2)c(C#N)c1C 4985016 ZEEUSIQKCBFFLZ-CAOOACKPSA-N 350.159 4.123 30 40 FIEB N#Cc1ccccc1NC(=O)c1ccccc1OCCOc1ccccc1 8158092 KPYBUGFMTZLIIB-UHFFFAOYSA-N 358.397 4.268 30 40 FIEB N#Cc1c(NC(=O)CO/N=C\c2ccccc2Cl)sc2c1CCCC2 13633742 ZNSSYKHZMBGPPW-FBHDLOMBSA-N 373.865 4.141 30 40 FIEB C=CCNC(=S)Nc1nc(-c2ccccc2OC(F)F)c(C)s1 16719267 IJOXQQROIMXNLN-UHFFFAOYSA-N 355.435 4.192 30 40 FIEB COc1ccc(C(C)=O)cc1CC(=O)Nc1ccccc1SCCC#N 95953530 RBYZTFYPBXJBCH-UHFFFAOYSA-N 368.458 4.085 30 40 FIEB CCc1nnc([C@H]2C(=N)S/C(=C\c3ccc(OC(C)C)cc3)C2=O)s1 108052419 SDBQEXZLGRPNQL-XDNJSQOTSA-N 373.503 4.306 30 40 FIEB O=C(O/N=C(/Cc1ccccc1)c1cccs1)c1ccccc1[N+](=O)[O-] 409053288 NZGJIITXUXIBRV-SILNSSARSA-N 366.398 4.460 30 40 FIEB CCN(CC)c1ccc(/N=C/c2cccc(OC)c2O[C@H](C)C(=O)O)cc1 409232531 QRSMQGIWBCDWBP-QQHUYRGFSA-N 370.449 4.144 30 40 FIEB Cc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\c1cccnc1)C2=O 5163231 KECFLSUFOHYFFY-JAIQZWGSSA-N 357.365 4.225 30 40 FIEB C=CCN1C(=O)/C(=C/c2cc(Cc3ccccc3)ccc2O)SC1=S 6295680 GDKIKMBBHGURDD-AQTBWJFISA-N 367.495 4.370 30 40 FIEB C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)Cc1cccs1 8156969 MSXHFCIONCDWKR-CYBMUJFWSA-N 373.547 4.409 30 40 FIEB Cc1nn(-c2ccccc2)c(C)c1[C@H](C#N)N1CCC(c2ccccc2)=N1 9224904 NCXYMSAEYLNBDN-NRFANRHFSA-N 355.445 4.164 30 40 FIEB CCCCCCOc1ccc(/C=C/C(=O)c2c(C)nc(C)[nH]c2=O)cc1 12791102 DIPSKZLRZIAPQL-JLHYYAGUSA-N 354.450 4.242 30 40 FIEB O=C(/C(=N/Nc1ccc(Cl)cc1)C(=O)C(F)(F)F)c1cccs1 27024596 NEYZVKYVKWBMIG-JAIQZWGSSA-N 360.744 4.184 30 40 FIEB COc1ccc(C(=O)/C=C2/c3ccccc3CC(C)(C)N2C)cc1OC 28640969 RAUXZPVIESLFOO-AQTBWJFISA-N 351.446 4.194 30 40 FIEB CCCCCCCc1nnc(SCC(=O)Nc2cccc(C)c2)n1C 408560502 CZYYMTRGZTUMTB-UHFFFAOYSA-N 360.527 4.367 30 40 FIEB C=CCN1C(=O)/C(=C\c2ccc(O[C@H](C)CC)c(OC)c2)SC1=S 409329999 ITSCIWWBZWZXDX-PILJQMSFSA-N 363.504 4.260 30 40 FIEB Cc1snc(SCC(=O)c2ccc(Br)cc2)c1C#N 1398231 NHYRGJLSVVNFQD-UHFFFAOYSA-N 353.266 4.061 30 40 FIEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(F)cc1 4684718 RLDQEOGEESWXRN-IBGZPJMESA-N 363.392 4.194 30 40 FIEB O=S(=O)(N/C(=N/c1ccccc1Cl)c1ccccc1)c1ccccc1 6155492 JKJNXXSEWNUGNI-UHFFFAOYSA-N 370.861 4.397 30 40 FIEB CC(C)OC(=O)COc1ccc(/C=N/Nc2ccc3ccccc3n2)cc1 6858941 OPSGTELQXRAPKZ-LPYMAVHISA-N 363.417 4.011 30 40 FIEB N#Cc1ccc(OCC(=O)N2c3ccccc3OC[C@@H]2c2ccccc2)cc1 8448692 PRFDERTYDXXSTP-OAQYLSRUSA-N 370.408 4.104 30 40 FIEB CC(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@H]3c2ccco2)cc1 16972652 KMHZNNHFQPXVGB-IERDGZPVSA-N 374.444 4.410 30 40 FIEB COc1ccc(CN/N=C/c2ccc(-c3ccc(F)cc3)o2)cc1OC 20195898 PIZCEPKXRRSMMZ-YDZHTSKRSA-N 354.381 4.227 30 40 FIEB COC(=O)c1ccc(-c2ccc(/C=N/Nc3nc4ccccc4n3C)o2)cc1 408647266 BMZIGENWNGFCTP-LPYMAVHISA-N 374.400 4.066 30 40 FIEB CCN1C(=O)/C(=C\c2ccc(C(=O)O)cc2)S/C1=N\c1ccc(C)cc1 408912224 PLHPSHQEITXTOS-MSYUKONTSA-N 366.442 4.317 30 40 FIEB FC(F)(F)C(F)(F)C(F)(F)N/N=C\c1cccc(Br)c1 409046329 JYTLJUJJBYBVSB-IPKBDRFQSA-N 367.062 4.163 30 40 FIEB CC[C@H]1S/C(=N\N=C\c2ccccc2)N(Cc2ccc(F)cc2)C1=O 2248519 HRXBFBYTBLGFIV-BGBIMMFTSA-N 355.438 4.070 30 40 FIEB COCCN1C(=O)/C(=C/c2ccc(F)cc2)S/C1=N\c1ccccc1 2783261 MEWISUIRIIVOGL-MIZVFFBBSA-N 356.422 4.076 30 40 FIEB C[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(C#N)cc1)c1ccccc1 3421372 OWVAIJXLTLDLTI-INIZCTEOSA-N 369.424 4.302 30 40 FIEB CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 5523279 NKTRLUSSRPFGFM-LSDHHAIUSA-N 372.490 4.274 30 40 FIEB C=CCNC(=O)[C@H](C)Sc1nc(-c2cccs2)nc2ccccc12 7298640 OOTXJFBKGBPBDD-LBPRGKRZSA-N 355.488 4.141 30 40 FIEB COc1cccc(/C=C2\S/C(=N\c3c(C)cccc3C)NC2=O)c1OC 7751061 VDUZHEYTEAZEAB-WJDWOHSUSA-N 368.458 4.212 30 40 FIEB C=CCNc1nc(Nc2cccc(F)c2)c2cnn(-c3ccccc3)c2n1 9622819 AKSXLUIELYNKQB-UHFFFAOYSA-N 360.396 4.296 30 40 FIEB N#Cc1cccc(NCC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)c1 15294569 LIFQKCIXRYOMRW-UHFFFAOYSA-N 365.820 4.200 30 40 FIEB O=C1N/C(=N\c2ccccc2Br)S/C1=C\c1cccs1 18153018 CKPLFQBZXWIKTQ-WQLSENKSSA-N 365.277 4.402 30 40 FIEB N#Cc1c(-c2ccc(Cl)c([N+](=O)[O-])c2)cc(-c2ccccc2)nc1N 20327109 YSMHYHGHXYRRTM-UHFFFAOYSA-N 350.765 4.431 30 40 FIEB CC/C=C/CC1=C(CCCC[C@H](CCC(=O)O)OC(C)=O)CCC1=O 31163950 QWDCJWDUPSTHHK-LAQIPUCWSA-N 350.455 4.359 30 40 FIEB biogenic,in-vitro C=CCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1OCC 33414190 JCSJCSDZQLCSHM-RGEXLXHISA-N 362.429 4.456 30 40 FIEB COc1ccccc1C(=O)O/N=C1\c2ccccc2-c2ccc([N+](=O)[O-])cc21 59520204 QLVNLJFPERXBPU-LSDHQDQOSA-N 374.352 4.193 30 40 FIEB C=CCSc1nnc(NC(=O)[C@H](CC)Oc2ccc(C)c(C)c2)s1 224799260 KCBNEZISUYJROB-AWEZNQCLSA-N 363.508 4.229 30 40 FIEB C=CCN1C(=O)N/C(=C/c2cc(C)n(-c3cccc4ccccc34)c2C)C1=O 409134044 VLIYKSHDMYYEHY-XSFVSMFZSA-N 371.440 4.326 30 40 FIEB C=CCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1ccc(CC)cc1 634029 GQHWYUCOWPRLKC-HXUWFJFHSA-N 359.425 4.395 30 40 FIEB O=S(=O)(O[C@@H](c1ccccc1)C(F)(F)F)c1ccc(Cl)cc1 2298366 OCZWIBLCFUMWKY-ZDUSSCGKSA-N 350.745 4.349 30 40 FIEB CCC[C@@H]1S/C(=N\N=C\c2cccs2)N(Cc2ccccc2)C1=O 2328511 OQAVORJZMXZSSV-KVBLSVFTSA-N 357.504 4.382 30 40 FIEB O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1cccs1)c1cccs1 2601159 HKHXNMGLXSNQJA-GFCCVEGCSA-N 374.468 4.049 30 40 FIEB Cc1ccc(/C=N/N=C2\S[C@H](C)C(=O)N2Cc2ccccc2C)c(C)c1 5093277 NJZWHCHSLNWWMD-MDCCTSQJSA-N 365.502 4.466 30 40 FIEB CC1=C(C(=O)c2ccc(Cl)cc2)[C@@H](c2ccc(C)cc2C)NC(=O)N1 6046309 PUDUJVPZQCUEGZ-GOSISDBHSA-N 354.837 4.468 30 40 FIEB CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c12 6996079 NGZMJELRGAHUFK-JLHYYAGUSA-N 374.400 4.422 30 40 FIEB CNC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1 21722370 BMVQZHKYACECAZ-SFHVURJKSA-N 353.447 4.068 30 40 FIEB COc1ccc2c(c1)C(=O)/C(=C/c1c(C)nn(CC(C)C)c1Cl)CO2 96248634 CZYQZBXTBJCDHI-NTUHNPAUSA-N 360.841 4.168 30 40 FIEB O=S(=O)(c1ccc(/N=C/c2ccccc2Cl)cc1)N1CCCCC1 100038002 KHAAAGUUHZNBLZ-XSFVSMFZSA-N 362.882 4.265 30 40 FIEB CC(C)c1ccc(NC(=O)/N=C(\c2ccccc2)N2CCOCC2)cc1 226751968 HGLHXTRINSJQCW-BSYVCWPDSA-N 351.450 4.121 30 40 FIEB C=CCn1c(CCCC)nnc1SCC(=O)Nc1cccc(C)c1C 408560556 KROLTDHNHYZYEN-UHFFFAOYSA-N 358.511 4.154 30 40 FIEB C[C@H]1C[C@@H](C)CN([C@H](C)CNc2oc(/C=C/c3ccccc3)nc2C#N)C1 1775965257 YHJXCQZSDIISHC-SZTFWKEZSA-N 364.493 4.495 30 40 FIEB Cc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1[N+](=O)[O-] 1959654 CGYKQJLZUKNWEL-SNVBAGLBSA-N 355.419 4.214 30 40 FIEB CCCNc1c(/N=C(\O)Nc2ccc(F)cc2)c(=O)oc2ccccc12 28048843 MGTTYCBKVQHFFE-UHFFFAOYSA-N 355.369 4.412 30 40 FIEB CCn1nccc1C(=O)/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1 6490113 ONWYHLOAPFTXKH-VMPITWQZSA-N 351.362 4.276 30 40 FIEB N#CCCSc1nc2scc(C3CC3)c2c(=O)n1-c1ccccc1 14157741 XQVVTEXKKINARW-UHFFFAOYSA-N 353.472 4.330 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(F)cc2)C[C@H]1c1cccc(F)c1 4918481 HFUFUUQCFHQVCX-ICSRJNTNSA-N 356.368 4.284 30 40 FIEB COC(=O)c1ccccc1/N=C\c1ccc(-c2ccc(C(=O)O)cc2C)o1 408960322 DVUFATPUHCXENK-UUYOSTAYSA-N 363.369 4.490 30 40 FIEB C=CCOc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3ccc(OC)cc32)cc1 219642974 GVDYVDPCWQQJKR-IBGZPJMESA-N 367.445 4.292 30 40 FIEB CC(C)C(=O)Nc1cccc(/N=C/c2cc(Br)ccc2O)c1 5841430 IUHFJWJHNQDWET-VXLYETTFSA-N 361.239 4.500 30 40 FIEB C=CCc1cc(C(=O)NCCSCc2cccc(C)c2)ccc1OC 14399490 WULPKEHEBPNXHT-UHFFFAOYSA-N 355.503 4.395 30 40 FIEB O=C1ON=C(c2ccc(Cl)cc2)/C1=C/c1ccc(N2CCCC2)cc1 12407545 NAEJQBPRDTYBFI-AQTBWJFISA-N 352.821 4.285 30 40 FIEB Cc1nc2ccc(/N=C\c3ccc(Br)c([N+](=O)[O-])c3)cc2[nH]1 6399359 SSBNQPGIPLQRGT-IUXPMGMMSA-N 359.183 4.293 30 40 FIEB CCOc1ccc(C(=O)/C=C/c2cccc(OC)c2OC)cc1OCC 7701106 LMCQRRPWXVISKH-ZRDIBKRKSA-N 356.418 4.397 30 40 FIEB C=CCNc1oc(-c2ccc(C)cc2)nc1S(=O)(=O)c1ccccc1 12419211 ZYYWWHYTPTXTMG-UHFFFAOYSA-N 354.431 4.081 30 40 FIEB CN(Cc1c(F)cccc1Cl)C(=O)COc1ccc(C#N)cc1Cl 19357693 LPZSWRCDVCNZJP-UHFFFAOYSA-N 367.207 4.042 30 40 FIEB O=C(/C=C/c1cnc(N2CCCC2)nc1)c1c[nH]c2cc(Cl)ccc12 63413185 YVWSRMVSVQDLFM-ZZXKWVIFSA-N 352.825 4.108 30 40 FIEB CC1=CC(=O)/C(=C2/C[C@@H](c3cccs3)Nc3ccccc3N2)C(=O)O1 135693964 HQXXUIBFQGFOKF-ZWPWWNDZSA-N 352.415 4.001 30 40 FIEB COc1ccccc1/N=C\c1ccc(OCC(=O)Nc2ccccc2)cc1 408811777 KSZZGPPVFOYCBG-HAHDFKILSA-N 360.413 4.463 30 40 FIEB Cc1sc2nc(C)n(/N=C/c3c(O)ccc4ccccc34)c(=O)c2c1C 973325 YLPJSHISPBWKID-UFFVCSGVSA-N 363.442 4.124 30 40 FIEB CC(=O)[C@@H]1C(=O)C=C(c2ccco2)C[C@H]1c1cccc(Br)c1 1087880 HPQYJAGICBURBM-YJBOKZPZSA-N 359.219 4.387 30 40 FIEB CCNC(=S)N/N=C/c1ccccc1OCc1cccc2ccccc12 4550614 JSZWJLGYMZSKDE-OEAKJJBVSA-N 363.486 4.237 30 40 FIEB CC(=O)C1=C(Nc2ccccc2)C[C@@](C)(O)[C@H](C(C)=O)[C@H]1c1ccccc1 4794765 FEAUWCGFLYHOEV-YTFSRNRJSA-N 363.457 4.085 30 40 FIEB O=[N+]([O-])c1cc(Br)c(O)c(/C=N/c2cccc(Cl)c2)c1 4990949 ACXRGNWFTASPJJ-FRKPEAEDSA-N 355.575 4.467 30 40 FIEB CCN(CC)c1ccc(/N=C2/NC(=O)/C(=C/c3ccc(O)cc3)S2)cc1 6869777 VSBZKWCVEWLYCZ-AQTBWJFISA-N 367.474 4.130 30 40 FIEB Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N2CCCCCCC2)n1 10399652 IMDBFCCEXVRONU-UHFFFAOYSA-N 371.428 4.165 30 40 FIEB O=[N+]([O-])c1cc(/C=N\c2nc(-c3ccccc3)cs2)c2c(c1)COCO2 12377007 ZUDUCTAVPAUNJR-UWVJOHFNSA-N 367.386 4.335 30 40 FIEB CN(C)Cc1cc(C(=O)/C=C\c2ccccc2Cl)cc(CN(C)C)c1O 31870594 WXFSZYUYVKUUNW-KTKRTIGZSA-N 372.896 4.065 30 40 FIEB Cc1c2c(cc3c1O/C(=C\c1ccccc1F)C3=O)CN(C1CC1)CO2 94156262 TYOYZLIZFRMXTJ-NVMNQCDNSA-N 351.377 4.065 30 40 FIEB Cc1ccccc1CSc1nc(N)c(C#N)c(COc2ccccc2)n1 223681407 FUXUOFLPXHCNLF-UHFFFAOYSA-N 362.458 4.110 30 40 FIEB C#C[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4CC5(CC[C@]4(C)[C@@H]3CC[C@]21C)OCCO5 253617368 JMZAXRXHLIIAGA-RAKJYYOCSA-N 358.522 4.137 30 40 FIEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(OC)cc2)C(=O)N1C 408908478 FELTVOUHIRKHIH-BIXZQSIESA-N 352.459 4.491 30 40 FIEB C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(F)c3)c2C)C1=O 409102878 UMRJWJUGWXSSFT-LICLKQGHSA-N 356.422 4.456 30 40 FIEB C=CCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)SC1=S 2067855 HDWIFHNHYUITFB-GDNBJRDFSA-N 371.439 4.032 30 40 FIEB COc1cc(OC)c(OC)cc1/C=N/c1sc2c(c1C#N)CCCC2 4263110 JDISQRWSRHTFFB-SRZZPIQSSA-N 356.447 4.275 30 40 FIEB COc1cccc(/C=N/Nc2nc(-c3cccnc3)nc3ccccc23)c1 4856177 ABWRYOKZXQTYME-YDZHTSKRSA-N 355.401 4.146 30 40 FIEB C=CCN1C(=O)/C(=C\c2ccc(OCCCC)c(OC)c2)SC1=S 6651622 OESDLDKTWAIEKW-FOWTUZBSSA-N 363.504 4.261 30 40 FIEB N#Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)c[nH]2)cc1Cl 12741512 DUFWSWOYKFDXSU-UHFFFAOYSA-N 368.849 4.333 30 40 FIEB N#Cc1ccc(OCCSc2n[nH]c(/C=C/c3ccc(F)cc3)n2)cc1 14897880 LNPVZVRNZRWWGC-BJMVGYQFSA-N 366.421 4.157 30 40 FIEB Oc1ccccc1/C=N/NC(=S)Nc1cccc2cc3ccccc3nc12 17314281 JPBICJSUJBVKIM-LPYMAVHISA-N 372.453 4.414 30 40 FIEB N#CCc1ccc(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)cc1 5165356 KQEGPNGWPDPUCG-UHFFFAOYSA-N 356.838 4.013 30 40 FIEB C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3cccc(O)c3)c12 8026401 PFIRBFKSVOBALG-VAWYXSNFSA-N 357.413 4.385 30 40 FIEB N#CCc1ccc(NC(=O)COc2ccc(C3SCCS3)cc2)cc1 14095030 WLLXQWHZTLLMRL-UHFFFAOYSA-N 370.499 4.249 30 40 FIEB COc1ccc(/C=C2\S/C(=N\c3ccccc3Cl)NC2=O)cc1OC 16693385 IZGUIARHAQPSMP-YBEGLDIGSA-N 374.849 4.249 30 40 FIEB C[C@H](Sc1ncc(-c2ccc(F)cc2)[nH]1)C(=O)Nc1cccc(C#N)c1 17749829 KXDPQLAUQUNGIF-LBPRGKRZSA-N 366.421 4.207 30 40 FIEB COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@H](C)[C@H]2CCCC[C@@H]21 40133837 YNGMSUOORXTWSJ-UHOSZYNNSA-N 370.493 4.153 30 40 FIEB Cc1nc(-c2ccc(C#N)cc2)n(CN(C2CC2)[C@@H]2CCc3ccccc32)n1 58438247 WWJUDPBQYJYDPI-JOCHJYFZSA-N 369.472 4.235 30 40 FIEB FC(F)(F)[C@](F)(Br)[C@](F)(Br)C(F)(F)F 95676719 WDEZAGXZUSQBLW-XIXRPRMCSA-N 359.836 4.232 30 40 FIEB in-vitro FC(F)(F)Oc1cnc(Br)cc1C(F)(F)C(F)(F)F 97949913 JMIHHKXGTAITMR-UHFFFAOYSA-N 359.998 4.397 30 40 FIEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@]5(C(C)=O)O[C@H]5[C@@]4(C)CC[C@@H]32)C1 118917472 GWZAVXCYXHGFFE-HIHPHDAESA-N 372.505 4.217 30 40 FIEB C=CCSc1nnc(NC(=O)[C@H](C)SCc2ccccc2)s1 223124468 BEGCBJCUTSNZEE-NSHDSACASA-N 351.522 4.077 30 40 FIEB O=C(Nc1ccccc1OC(F)F)C(F)(F)C(F)(F)C(F)(F)F 2276959 PXRPOVFGZJTHPJ-UHFFFAOYSA-N 355.156 4.059 30 40 FIEB C/N=C(\S)N(CCc1c(C)[nH]c2ccc(C)cc12)Cc1cccnc1 2722387 ZAKZFWGRSMGHAJ-UHFFFAOYSA-N 352.507 4.140 30 40 FIEB COC(=O)c1sc(NC(=O)CC23CC4CC(CC(C4)C2)C3)c(C#N)c1C 5015890 BQLLMIFIJUYDPP-UHFFFAOYSA-N 372.490 4.260 30 40 FIEB CC(C)(C)C(=O)[C@H]1[C@@H](c2ccco2)C(C#N)(C#N)[C@H]2C=Cc3ccccc3N12 5091913 YHJDCWDKXVQGJK-VAMGGRTRSA-N 371.440 4.296 30 40 FIEB CN(C)c1ccc(/C=N/n2cc(-c3ccccc3)[nH]c2=S)cc1[N+](=O)[O-] 6911018 UJWIYDQZSQJOLR-YBFXNURJSA-N 367.434 4.069 30 40 FIEB C=CCn1c(-c2cccnc2)nn(CN2CCC[C@@H]3CCCC[C@@H]32)c1=S 14161696 WGSVHGOUGIJFSK-WMZOPIPTSA-N 369.538 4.274 30 40 FIEB COc1ccc(CN/N=C/c2cc(C)n(-c3ccccc3)c2C)cc1OC 20196175 RZNDMJAEWRMLJX-BUVRLJJBSA-N 363.461 4.235 30 40 FIEB C=C(C)Cn1c(=O)n2nc(-c3ccccc3)nc2c2c(CC)c(C)sc21 32102319 URLSFHMENMDZRR-UHFFFAOYSA-N 364.474 4.220 30 40 FIEB COc1cc(/C=N\Nc2nc(Cl)c(C#N)c(Cl)c2Cl)ccc1O 32136059 LFDSLBNUKSEVMU-SWNXQHNESA-N 371.611 4.074 30 40 FIEB COc1ccccc1CC(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 32288384 YLZOOOPSYONVRV-UHFFFAOYSA-N 372.424 4.327 30 40 FIEB CCCOc1ccc(/C=N\OCC(=O)Nc2ccc(C)c(C)c2)cc1OC 35044283 WPZOGHTUWIEBQZ-XKZIYDEJSA-N 370.449 4.090 30 40 FIEB N#Cc1cc(NC(=O)c2ccc(F)cc2F)ccc1OCC(F)(F)F 40106918 KYLOENVRFINUSJ-UHFFFAOYSA-N 356.250 4.030 30 40 FIEB CC(C)(C)C(=O)/N=C1/N=C2C=CC(Br)=CN2Cc2ccccc21 102947689 OHIRODNOBXOBPD-LTGZKZEYSA-N 372.266 4.026 30 40 FIEB Cc1ccc(Sc2ccc(/C=N/N3C(=O)CSC3=S)cc2)cc1 408528613 GRZSHFSNUMHZSI-VCHYOVAHSA-N 358.513 4.340 30 40 FIEB N#Cc1cc(C(F)(F)F)c(I)c(C(F)(F)F)c1 575340562 NLEUJWMHYLALBA-UHFFFAOYSA-N 365.014 4.200 30 40 FIEB CCOc1cccc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)c1 780217 XTUKCQOFRHRMCX-UHFFFAOYSA-N 351.446 4.129 30 40 FIEB COc1ccccc1-n1c(S[C@H](C)C#N)nc2cc(Cl)ccc2c1=O 5080641 WRTCVTPNKXQOFY-LLVKDONJSA-N 371.849 4.052 30 40 FIEB COc1cc2c(c(OC)c1)[C@@H](c1cccc(F)c1)C1=C(CCCC1=O)N2 18200466 PRYANPJREGJBNM-IBGZPJMESA-N 353.393 4.407 30 40 FIEB Cc1nc2n(n1)[C@@H](c1ccc(Cl)cc1Cl)C1=C(C[C@@H](C)CC1=O)N2 22608094 OKBUKLSDQJYCIF-BCTVWOGZSA-N 363.248 4.161 30 40 FIEB Cc1cc(N2CCCC2)c(F)cc1/C=N\NC(=S)Nc1ccccc1 33386200 MNSJFXGDDPBZBQ-BKUYFWCQSA-N 356.470 4.055 30 40 FIEB CCCCCOc1ccc(CN2C(=O)/C(=N\O)c3cc(C)ccc32)cc1 39853921 NFIRBGWLIUJTSO-XDOYNYLZSA-N 352.434 4.289 30 40 FIEB C=CCOc1cccc(NC(=S)NC2(c3ccncc3)CCCC2)c1 225868690 SIQZWSOYLNFLNT-UHFFFAOYSA-N 353.491 4.402 30 40 FIEB COC(=O)c1cccc(-c2ccc(/C=N/Nc3nc4ccccc4n3C)o2)c1 408661502 QRMSXXLNENFKRJ-LPYMAVHISA-N 374.400 4.066 30 40 FIEB Cc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCC[C@@H](C)C3)C2=O)o1 2439484 XDIFVRQXTINFOC-XTBHVRTMSA-N 353.418 4.142 30 40 FIEB biogenic COc1ccc([C@H]2CCCCCN2CC(=O)Nc2sccc2C#N)cc1 9385894 PXWGQGMWGKHNFZ-GOSISDBHSA-N 369.490 4.184 30 40 FIEB COc1cc(Cl)c(C(=O)/C=C/c2cccc(OC)c2OC)cc1OC 14187186 JTGLJCKJUYTSNR-CMDGGOBGSA-N 362.809 4.271 30 40 FIEB [O-]/[N+](=C\c1cc(Br)c(O)c(Br)c1)c1ccccc1 19879627 BQSSFWKJUJSXQH-PXNMLYILSA-N 371.028 4.178 30 40 FIEB CN(C)Cc1cc(C(=O)/C=C\c2ccc(Cl)cc2)cc(CN(C)C)c1O 31870592 RMHPAPCELXPRMF-YFHOEESVSA-N 372.896 4.065 30 40 FIEB CCN(CC)c1ccc(/C=N\Nc2nnc3c(n2)[nH]c2c(C)cccc23)cc1 33941794 YODUIVLFODVJNP-XKZIYDEJSA-N 373.464 4.107 30 40 FIEB CN(Cc1ccccc1)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 97951003 HORLUGIJHMFCRP-UHFFFAOYSA-N 367.211 4.113 30 40 FIEB CCOc1cc(C)c(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1OCC 408590143 GGGKLMINCSWDDA-UDWIEESQSA-N 358.394 4.251 30 40 FIEB C/N=C1/S/C(=C\c2ccccc2OCc2ccccc2Cl)C(=O)N1C 408851103 IHFXKLGAZLFCSP-BBNBJWFKSA-N 372.877 4.451 30 40 FIEB N#Cc1c(-c2ccc(O)c(Br)c2)c(-c2ccccc2)c[nH]c1=N 408977053 COBZGKQOZUUHEY-UHFFFAOYSA-N 366.218 4.168 30 40 FIEB COc1cc(/C=N/c2ccccc2)ccc1OCc1ccc(C(=O)O)o1 409384870 GDPHSNYMHSCSIZ-CIAFOILYSA-N 351.358 4.316 30 40 FIEB COc1cc(/C=N\c2ccccc2F)ccc1OCc1ccc(C(=O)O)o1 409387008 YOUFCKDDENHWJW-JJFYIABZSA-N 369.348 4.455 30 40 FIEB N#Cc1ccc(C(=O)OCC(=O)N(C2CCCCC2)C2CCCCC2)cc1 3271828 LDNKUCNBERHMRB-UHFFFAOYSA-N 368.477 4.209 30 40 FIEB O=C(CON=C1c2ccccc2-c2ccccc21)N1CCc2ccccc21 3344885 IMCZGLDXOUWIJU-UHFFFAOYSA-N 354.409 4.025 30 40 FIEB COc1cccc(-c2nnc(SCC#N)n2-c2ccc(Cl)cc2)c1 3496363 NIDIRIJLTXNNLF-UHFFFAOYSA-N 356.838 4.212 30 40 FIEB CC/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc(CC)cc1 4180668 AMTDBHMNZCRJLB-UHFFFAOYSA-N 357.370 4.313 30 40 FIEB O=C1CC(c2ccco2)CC(=O)C1=CNc1ccc(Br)cc1 4817123 YTANZYMMQWYPOS-UHFFFAOYSA-N 360.207 4.054 30 40 FIEB aggregator COc1cc(/C=C2/S/C(=N/c3cccc(Cl)c3C)NC2=O)ccc1O 8277464 FPANQRGXEUPSMG-CXUHLZMHSA-N 374.849 4.254 30 40 FIEB Cc1c(C#N)c(NC(=O)CSc2ccccn2)n(C2CCCC2)c1C 8710412 DVDZXABUOUELNA-UHFFFAOYSA-N 354.479 4.218 30 40 FIEB Cc1cccc(-n2nc(C)c3c2NC2=C(C(=O)CCC2)[C@H]3c2ccccn2)c1 13123374 MCQZZYUEZDBVHZ-QFIPXVFZSA-N 370.456 4.449 30 40 FIEB C=CCOc1ccccc1/C=C1/SC(Nc2ccc(OC)cc2)=NC1=O 35644756 LNWWVKDZZZHYQA-QGOAFFKASA-N 366.442 4.342 30 40 FIEB COc1ccc(C(=O)/C=C/Nc2cccc(OC(F)(F)F)c2)cc1OC 44843699 HOTZRTXOHQQOAI-CMDGGOBGSA-N 367.323 4.411 30 40 FIEB N#Cc1c(Cl)nsc1NCC1(c2cccc(Cl)c2)CCOCC1 53583833 IBPWYZITCDWYEC-UHFFFAOYSA-N 368.289 4.482 30 40 FIEB COc1cccc(/C=C2\CCc3cc(OC(C)(C)C(=O)O)ccc3C2=O)c1 98055717 SENBRHDPHHFOAJ-LFIBNONCSA-N 366.413 4.150 30 40 FIEB CCc1ccc(/N=C2/S/C(=C/c3cccc(OC)c3)C(=O)N2C)cc1 100298911 QKFXHXIAPJGCTK-KXNKKEQVSA-N 352.459 4.491 30 40 FIEB C=CCN(c1c(C)cc(C)cc1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225086289 HTIWDUTWFMYFNS-UHFFFAOYSA-N 374.462 4.210 30 40 FIEB Cc1ccc2nc(NC(=O)C(=O)[C@H](C#N)c3ccc(Cl)cc3)sc2c1 1624487 DLOMRGWAUIWNTE-CYBMUJFWSA-N 369.833 4.073 30 40 FIEB N#CCSc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1 5014704 IWMYKEGZZCGEIK-UHFFFAOYSA-N 355.854 4.148 30 40 FIEB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(C(C)=O)[C@@]4(C)C(=O)C[C@@H]32)C1 5631618 MPXJSJVWSXWSNI-BNCGVFPVSA-N 372.505 4.265 30 40 FIEB biogenic,in-vitro COc1ccc(-c2nc(COC(=O)c3ccc(C#N)cc3)cs2)cc1 6638873 UUCQRZVCNHHXBJ-UHFFFAOYSA-N 350.399 4.047 30 40 FIEB N#Cc1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1Cl 15600586 MPMHASADHCWUGW-UHFFFAOYSA-N 365.776 4.309 30 40 FIEB C=CCc1cccc(CN2[C@H]3CC[C@@H]2CC(O)(c2ccc(F)cc2)C3)c1O 19016133 KJRKDVBDXXKMMC-TYABSZSSSA-N 367.464 4.274 30 40 FIEB CN(C/C(O)=N/c1cccc(F)c1)Cc1ncc(-c2ccc(F)cc2)o1 82094185 LRIAOKBRQMKNBB-UHFFFAOYSA-N 357.360 4.340 30 40 FIEB CCCc1ccc(C#N)c(SCC(=O)Nc2cccc3ncccc23)n1 215674230 XBTMEYLBAUNRSH-UHFFFAOYSA-N 362.458 4.185 30 40 FIEB Cc1cccc(CSc2nc(N)c(C#N)c(Cc3ccc(F)cc3)n2)c1 223679559 IEVRWAFMMQBHRP-UHFFFAOYSA-N 364.449 4.261 30 40 FIEB CCOC(=O)C1=C(Nc2ccccc2)S/C(=C/c2ccccc2)C1=O 998321 NKFXDAVGQGEWMF-DTQAZKPQSA-N 351.427 4.230 30 40 FIEB C[C@@H]1CCc2c(sc(NC(=O)COc3ccc(Cl)cc3)c2C#N)C1 1959784 AYLNHJXVVDLWEL-LLVKDONJSA-N 360.866 4.415 30 40 FIEB COc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(OC(C)C)cc3)S2)cc1 4524045 YWIBXXPZMVSACY-LDADJPATSA-N 368.458 4.374 30 40 FIEB Cc1ccc2cc(C#N)c(SCC(=O)N3CCC[C@H](C)C3)nc2c1C 4849070 PWEXXYNRJJTDDN-ZDUSSCGKSA-N 353.491 4.074 30 40 FIEB O=S(=O)(Nc1ccccn1)c1ccc(/N=C/c2cccc(Cl)c2)cc1 6057160 WGULVCUTPHRQNR-FYJGNVAPSA-N 371.849 4.286 30 40 FIEB CCOC(=O)c1sc(N)c(C#N)c1CSc1ccc(F)c(Cl)c1 7582877 ILKTYUAHJVBIGD-UHFFFAOYSA-N 370.858 4.463 30 40 FIEB Cn1c(SCC(=O)c2ccc(C#N)cc2)nnc1-c1cc2ccccc2o1 9328143 SZYCJDPSDQJCSW-UHFFFAOYSA-N 374.425 4.075 30 40 FIEB CCCCCCCOc1ccc(S(=O)(=O)NCc2ccco2)cc1C 101125801 BNSKQCAWZHYSCK-UHFFFAOYSA-N 365.495 4.416 30 40 FIEB C=CCN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(C)c1 224647341 MCOCOPQNCRFMOX-UHFFFAOYSA-N 365.882 4.347 30 40 FIEB C=CCOc1cccc(NC(=S)N[C@H](C)COc2ccccc2C)c1 225638144 CFLIIIOWJOHAGZ-MRXNPFEDSA-N 356.491 4.314 30 40 FIEB Oc1cc(Cl)ccc1/N=C\c1ccccc1I 408550414 HBQUEKYMQWPECS-PXNMLYILSA-N 357.578 4.401 30 40 FIEB N#Cc1c(NC(=S)NCCCc2ccccc2)sc2c1CCCC2 408585378 FUQQXBHZTCGOKT-UHFFFAOYSA-N 355.532 4.418 30 40 FIEB O=C(C[n+]1ccc(CCc2c[nH]c3ccccc23)cc1)c1ccc(F)cc1 2557649 CDXQOOASFOGMFZ-UHFFFAOYSA-N 359.424 4.263 30 40 FIEB N#Cc1c(NC(=O)CSc2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 2663565 ZOGMJSSNWZAMKA-UHFFFAOYSA-N 373.459 4.138 30 40 FIEB N#Cc1ccccc1COc1ccccc1/C=N/Nc1ccc([N+](=O)[O-])cc1 4743306 KWUHKWPAXUVGRX-OEAKJJBVSA-N 372.384 4.491 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(C)cc2)C[C@@H]1c1cccc(OC)c1 4920097 ZVVVKJSVHCCOLC-IRLDBZIGSA-N 364.441 4.323 30 40 FIEB CCCCNC(=O)Nc1nc(-c2ccccc2)cn1/N=C/c1ccccc1 12548763 PBPBYRVFZZIBSP-HZHRSRAPSA-N 361.449 4.354 30 40 FIEB CCCCCCCCCCCC(=O)N[C@H](C(=O)O)[C@@H](O)c1ccccc1 17433605 ITWIIXBTXPJQJZ-PMACEKPBSA-N 363.498 4.210 30 40 FIEB N#Cc1cc([N+](=O)[O-])ccc1Sc1nnc(C2CC2)n1-c1ccccc1 23042601 MPYHGBSOKNAPJS-UHFFFAOYSA-N 363.402 4.076 30 40 FIEB Cc1nccn1CCCCNC(=O)Nc1cc(C(C)(C)C)sc1C#N 95446366 HUKPKCBTJLEJGY-UHFFFAOYSA-N 359.499 4.024 30 40 FIEB C#CCn1/c(=N/C(=O)Cc2cccc3ccccc23)sc2ccccc21 100875206 QNPDUBGTYMBUCV-FCQUAONHSA-N 356.450 4.159 30 40 FIEB C=CCN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(OCC)cc1 224593993 ZGSKWSBRHKGLQE-UHFFFAOYSA-N 365.882 4.428 30 40 FIEB Cc1ccc(-c2nc(C#N)c(NC[C@H](C)N3C[C@@H](C)C[C@@H](C)C3)o2)cc1 1775965012 QAAYMOAWVASRHC-BBWFWOEESA-N 352.482 4.300 30 40 FIEB O=C1CCCC2=C1[C@H](c1ccc(O)c(O)c1)c1c(ccc3ncccc13)N2 1440573 IWLIWTHFSYYKFK-HXUWFJFHSA-N 358.397 4.211 30 40 FIEB COc1cc(/C=C2/S/C(=N/c3ccccc3)N(C)C2=O)cc(Cl)c1O 4664329 OSTATBBUGDXUAS-ZYVCTYRMSA-N 374.849 4.288 30 40 FIEB Cc1ccc([C@@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3[nH]nc(O)c32)s1 18200786 CFXVDCWPURRYCX-QLJPJBMISA-N 367.430 4.036 30 40 FIEB N/C(=N\c1ccc2c(c1)OCCO2)SCc1cccc2ccccc12 19671910 RPSSOGFZOKHOSZ-UHFFFAOYSA-N 350.443 4.491 30 40 FIEB C=CCOc1ccc(NC(=O)[C@H](C)Sc2ccc(OC)c(OC)c2)cc1 20455290 WITDXFNWGCGHAP-AWEZNQCLSA-N 373.474 4.388 30 40 FIEB N#Cc1ccccc1OCC(=O)N1c2ccccc2OC[C@H]1c1ccccc1 21181183 VKHOZUUCYUGOEY-FQEVSTJZSA-N 370.408 4.104 30 40 FIEB CNC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1 21722372 BMVQZHKYACECAZ-GOSISDBHSA-N 353.447 4.068 30 40 FIEB C=CCN(c1cccc(C)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224946587 GOZLUMNNYFKWFI-UHFFFAOYSA-N 351.855 4.038 30 40 FIEB C=CCOc1ccc(N(CC)S(=O)(=O)c2ccc(SC)cc2)cc1 224994935 LAAQEOYCSRZSEZ-UHFFFAOYSA-N 363.504 4.189 30 40 FIEB CSC1=N[C@H](c2ccc(Br)cc2)C(C(C)=O)=C(C)N1C 408731510 NESCLLMBXQASQL-CQSZACIVSA-N 353.285 4.018 30 40 FIEB COc1ccccc1NC(=O)COc1ccc(/C=N\c2ccccc2)cc1 408801782 VVADHVWWCVBRSF-HAHDFKILSA-N 360.413 4.463 30 40 FIEB C=CCN1C(=O)N/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1=O 409145826 RANPKIIKHXPVLK-ZROIWOOFSA-N 363.200 4.332 30 40 FIEB C=C1[C@@H](NC)CC[C@]23C[C@@]24CC[C@]2(C)[C@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13 2060990733 KTASKRCJBXZGMH-BMDKJKMNSA-N 371.565 4.103 30 40 FIEB C=CCN(CC=C)C(=S)Oc1cccc(C(=O)Nc2ccccc2)c1 1051898 MOWBDDNREQRBEZ-UHFFFAOYSA-N 352.459 4.277 30 40 FIEB CC(C)[C@@](C)(C#N)NC(=O)CSc1nc2cc(Cl)ccc2s1 3423366 RYIVUCATZUPJJG-OAHLLOKOSA-N 353.900 4.096 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2cccc(OC)c2)C[C@@H]1c1cccc(F)c1 4919179 QCGHJAJBYGGGBW-TZIWHRDSSA-N 368.404 4.154 30 40 FIEB CCOC(=O)/C(=C\c1cn(-c2ccccc2)nc1-c1cccs1)C(C)=O 6179724 SAGUAPVAGYTKNC-ATVHPVEESA-N 366.442 4.136 30 40 FIEB N#CCOc1ccc(Br)cc1/C=N/Nc1ccc(Cl)cc1 6413994 UJBBRLHBRVSZEM-VXLYETTFSA-N 364.630 4.451 30 40 FIEB C[C@H](Sc1nc(-c2ccc(F)cc2)c[nH]1)C(=O)Nc1ccccc1C#N 8746238 UGZYFEQTARQQGS-LBPRGKRZSA-N 366.421 4.207 30 40 FIEB Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N2[C@@H](C)CCC[C@H]2C)n1 24284009 FANFRWQQXGPHHW-TXEJJXNPSA-N 371.428 4.162 30 40 FIEB N#C[C@H](C(=O)Cc1ccc(OC(F)(F)F)cc1)c1nc2ccccc2o1 54735535 MXKAJUYCSLFJSM-CYBMUJFWSA-N 360.291 4.145 30 40 FIEB C=CCc1ccccc1OCCn1c(CN2CCCC2)nc2ccccc21 76555490 NUDCZLJIAFUGPZ-UHFFFAOYSA-N 361.489 4.440 30 40 FIEB C(#CCSc1ncnc2ccccc12)CSc1ncnc2ccccc12 96137132 HWHRVPYIYBQROA-UHFFFAOYSA-N 374.494 4.461 30 40 FIEB C=CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CC 223408084 CZHQTUCTWKZRPF-HXUWFJFHSA-N 370.880 4.122 30 40 FIEB C#CCOc1c(Br)cc(CNc2cccc(C)c2)cc1OC 409115528 JJAMZYHNQKNAGA-UHFFFAOYSA-N 360.251 4.390 30 40 FIEB N#Cc1ccc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c(F)c1 4487812 AYISMRMFKKEZMB-UHFFFAOYSA-N 365.389 4.263 30 40 FIEB COc1cc(/C=N/Nc2cccc(Cl)c2)cc(Br)c1O 4922652 QZUVIZCDIVTVHV-CAOOACKPSA-N 355.619 4.263 30 40 FIEB CC(C)c1nc(N/N=C/c2ccccc2C(F)(F)F)cc(N(C)C)n1 5849770 LNFREYHGVINPMI-UFFVCSGVSA-N 351.376 4.131 30 40 FIEB O=C(/C=C/Nc1ccc(Br)cn1)c1cccc(OC(F)F)c1 6276527 YDNRGNVYUUDZGB-VOTSOKGWSA-N 369.165 4.254 30 40 FIEB CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc(Cl)c1O 7745462 SHRDZEZAXQASNS-HWKANZROSA-N 360.793 4.112 30 40 FIEB CC(C)(C)NC(=O)CSc1nc(-c2ccc(Cl)cc2)ccc1C#N 12250961 CRBBPTRANGMEBT-UHFFFAOYSA-N 359.882 4.280 30 40 FIEB O=C(NC1(C#Cc2cncc3ccccc23)CCCCC1)c1ccccn1 12337481 NXSHQFQKYIDJLP-UHFFFAOYSA-N 355.441 4.114 30 40 FIEB C=CCc1cc(C(=O)Nc2ccccc2C(=O)NCC(C)C)ccc1OC 408706294 ZKHRCBILRPECND-UHFFFAOYSA-N 366.461 4.062 30 40 FIEB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/Nc1nc2ccccc2[nH]1 5070852 OQWAQMALOHTZJT-RGVLZGJSSA-N 350.813 4.156 30 40 FIEB CCCCN/C(=N\Nc1cc(C(F)(F)F)ccc1Cl)C(=O)OCC 5503541 RKFWVVWUBVIHAT-UHFFFAOYSA-N 365.783 4.037 30 40 FIEB CCOc1cc(C=O)c(Br)cc1OCc1ccccc1C#N 5651960 UJMIXNMPYNROMA-UHFFFAOYSA-N 360.207 4.111 30 40 FIEB O=C1/C(=C/c2ccccc2)Oc2c1ccc1c2CN(Cc2ccco2)CO1 13736603 WUDYWOCHQSLMMT-JAIQZWGSSA-N 359.381 4.248 30 40 FIEB N#Cc1ccccc1OCC(=O)c1ccc(NC(=O)c2ccccc2)cc1 14242635 OQMYBFJIVOQUSE-UHFFFAOYSA-N 356.381 4.072 30 40 FIEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccnc1 19855113 DHDAGYCHGSQYCE-LJQANCHMSA-N 368.477 4.029 30 40 FIEB Cc1c(NCc2cccnc2OC2CCCC2)cc(C#N)cc1[N+](=O)[O-] 84028395 OQIDAIUWGHDDPE-UHFFFAOYSA-N 352.394 4.103 30 40 FIEB C=CCOc1ccc(NC(=S)NC2(c3ccncc3)CCCC2)cc1 225868201 RWWXIJZOQUUDNR-UHFFFAOYSA-N 353.491 4.402 30 40 FIEB COc1cc(Cl)cc(/C=C2\S/C(=N/c3ccc(C)cc3)NC2=O)c1O 59116457 SEWDMGSMEDDICU-NVNXTCNLSA-N 374.849 4.254 30 40 FIEB C#CCOc1ccc(C[C@@H]2SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 6295391 NJTFCZLQANQFQA-KRWDZBQOSA-N 371.845 4.163 30 40 FIEB Cc1ccc(C)c(S(=O)(=O)N/N=C/c2ccc(-c3ccc(F)cc3)o2)c1 2631823 QAHJJOSMQMZWRO-CIAFOILYSA-N 372.421 4.015 30 40 FIEB O=C1C=CC=C/C1=C/Nc1oc2ccccc2c1N/C=C1\C=CC=CC1=O 100798265 IKTDMSCNTGLMJM-ZNOBWPMYSA-N 356.381 4.415 30 40 FIEB COc1ccc(/N=C2/C(=O)N3c4c(cccc42)C(C)=CC3(C)C)cc1OC 12407347 JTAGKZPHWLKVGL-FCDQGJHFSA-N 362.429 4.367 30 40 FIEB Cc1cc(C)c(NC(=O)/C=N/OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 3301215 FFTAUFMPXJRZRM-DJKKODMXSA-N 361.785 4.006 30 40 FIEB COc1cc(/C=N/Nc2nc(C)nc3sc4c(c23)CCCC4)ccc1O 3898579 IKLSZHROVSRSKY-KEBDBYFISA-N 368.462 4.039 30 40 FIEB CN1C(=O)N[C@@H](c2ccc(C(F)(F)F)cc2)C2=C1CC(C)(C)CC2=O 4009249 GPGODZUAJFJQAG-HNNXBMFYSA-N 352.356 4.045 30 40 FIEB O=C1/C(=C/c2ccc(Cl)cc2)Oc2c1ccc(O)c2CN1CCCC1 4339730 QBDJZJXJIWGCCJ-WQRHYEAKSA-N 355.821 4.258 30 40 FIEB C=CCn1c(C)cc(C2=NN=C(Nc3ccccc3OC)SC2)c1C 5862094 FSMCIWDSQUCUSQ-UHFFFAOYSA-N 354.479 4.219 30 40 FIEB Cc1noc2c1[C@H](c1ccc([N+](=O)[O-])cc1)C1=C(CC(C)(C)CC1=O)N2 72332304 CTKHVQMZAZBSQB-INIZCTEOSA-N 353.378 4.092 30 40 FIEB Cc1ccccc1NC[C@@H](O)CON=C1c2ccccc2-c2ccccc21 95117275 CUHHSYQQKWESKM-QGZVFWFLSA-N 358.441 4.217 30 40 FIEB CCCCCOc1cc(Br)cc(B2OC(C)(C)C(C)(C)O2)c1 725240083 XUYPDVUVIDMLQY-UHFFFAOYSA-N 369.108 4.317 30 40 FIEB CCOc1ccc(/C=C2\C(=O)ON=C2c2ccc(Cl)cc2)c(OCC)c1 16689324 CHHPJCAHUWFTNV-BOPFTXTBSA-N 371.820 4.482 30 40 FIEB Cc1cc(C)c2cc(C#N)c(SCC(=O)NCc3cccs3)nc2c1 1354459 IKFFOCWAWGREAF-UHFFFAOYSA-N 367.499 4.193 30 40 FIEB COc1ccc(CCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1OC 2651359 ZRTRCRIXCLTJRG-UHFFFAOYSA-N 370.474 4.087 30 40 FIEB COC(=O)C1=C(Nc2ccc(F)cc2)S/C(=C\c2ccc(F)cc2)C1=O 4696124 PFLUUAINZKHCGR-GDNBJRDFSA-N 373.380 4.118 30 40 FIEB O=C1C2=C(Nc3ccccc3S(=O)(=O)[C@H]2c2ccccc2)c2ccccc21 4677760 SJYBUJGFLWQBES-QFIPXVFZSA-N 373.433 4.235 30 40 FIEB COc1ccc(-n2cccc2/C=N\Nc2ccc(C(F)(F)F)cn2)cc1 408951190 IAYOEHFNRNKFCI-FMCGGJTJSA-N 360.339 4.346 30 40 FIEB C#CCOC(=O)c1cc(Cl)c(OCc2ccccc2F)c(OCC)c1 216829387 UHTXSYDPANTTDS-UHFFFAOYSA-N 362.784 4.247 30 40 FIEB Cc1cc(C)cc(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c1 947395 VNXTWZACNNSGMF-GFCCVEGCSA-N 354.475 4.379 30 40 FIEB C[C@@H]1CCc2c(sc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)c2C#N)C1 1959718 OPOYQKDWAZBFKC-WAFBPQNNSA-N 367.430 4.305 30 40 FIEB CCOC(=O)/C(=N/Nc1cc(Cl)ccc1Cl)N1C[C@H](C)C[C@@H](C)C1 3179803 JECUNBOHGFSHAO-HEJCPIRBSA-N 372.296 4.260 30 40 FIEB O=[N+]([O-])c1cccc(-c2nc(/C=N/Nc3ccccc3)c3ccccn23)c1 4426635 UHTNXWQQIQEFDL-KGENOOAVSA-N 357.373 4.356 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(C)cc2)C[C@@H]1c1cccc(OC)c1 4920096 ZVVVKJSVHCCOLC-IFMALSPDSA-N 364.441 4.323 30 40 FIEB Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(C#N)cc2)c1 7735460 CFRQAHFNPXWMBB-UHFFFAOYSA-N 355.397 4.371 30 40 FIEB Cc1ccc(/C=C2/S/C(=N\c3cccc(C(F)(F)F)c3)NC2=O)o1 8413643 YWCGKYKKNVWHCO-MDWZMJQESA-N 352.337 4.498 30 40 FIEB C#CCOc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc1OCC 16408285 LMSMUQWMZSFBED-JXMROGBWSA-N 366.413 4.011 30 40 FIEB CCCC/N=C1\S/C(=C/c2ccc(C(=O)OC)cc2)C(=O)N1CCCC 35042010 XIOQRBRMEYHFPX-KVQUEKGWSA-N 374.506 4.346 30 40 FIEB O=[N+]([O-])c1ccc(N/N=C2/CCCC[C@H]2c2ccccn2)c([N+](=O)[O-])c1 100844653 OXWJCYWFEMNOSV-XEMYWUMJSA-N 355.354 4.024 30 40 FIEB C=CCc1cc(C(=O)NCCOc2cccc3ccccc23)ccc1OC 223537172 IDLLETZKACHBLX-UHFFFAOYSA-N 361.441 4.386 30 40 FIEB Cc1ccc2c(c1)/C(=N/Nc1cc(Cl)ccc1C)C(=O)N2C1CSC1 223721316 ZTABCVMWRPLEQR-PYCFMQQDSA-N 371.893 4.235 30 40 FIEB COc1ccc2c(c1)Cc1sc(/N=C\c3cccc([N+](=O)[O-])c3)nc1-2 409043913 FUYCWBKYRPWZJR-GRSHGNNSSA-N 351.387 4.382 30 40 FIEB O=C(/C=C/c1cccc(C(F)(F)F)c1)c1cccc(N2CCOCC2)c1 11334597 RKJKITAXULTVLG-BQYQJAHWSA-N 361.363 4.438 30 40 FIEB Cc1ccc(-c2nc(SCC(=O)c3ccccc3)nc(O)c2C#N)cc1 1016893 VRWYEUPWCJGLQT-UHFFFAOYSA-N 361.426 4.004 30 40 FIEB N#Cc1c(NC(=O)c2c(F)c(F)c(F)c(F)c2F)sc2c1CCCC2 3118613 UFMMLSZWSUCCEA-UHFFFAOYSA-N 372.318 4.446 30 40 FIEB COCCN1C(=O)/C(=C/c2cccc(C)c2)S/C1=N\c1ccccc1 2783085 CSXQCLXEYHSURR-PTPABZONSA-N 352.459 4.245 30 40 FIEB C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C#N)cc3)c2C)C1=O 981692 NKDBDBMHHBPIRN-WOJGMQOQSA-N 363.442 4.188 30 40 FIEB C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 58167240 RUMSCAMATHWSDW-GJZGRUSLSA-N 369.962 4.220 30 40 FIEB COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2c[nH]c3ccccc23)S1 408843925 GECCELOERVPMOF-ZDLGFXPLSA-N 363.442 4.377 30 40 FIEB Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccnc1)C1=C(CCCC1=O)N2 13551981 REPMZQFDMXYIKQ-HXUWFJFHSA-N 356.429 4.140 30 40 FIEB CN(C)C1(CN/C(S)=N/c2ccccc2C(F)(F)F)CCCCC1 13656256 MMNYIHUJPXDNPW-UHFFFAOYSA-N 359.461 4.477 30 40 FIEB N#Cc1ccccc1OCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 6653774 GGOFZYIAHZFYBE-UHFFFAOYSA-N 364.401 4.007 30 40 FIEB CSc1nncn1/N=C/c1ccccc1OCc1cccc(Cl)c1 408812967 CGNRLAVGJJMXND-KEBDBYFISA-N 358.854 4.115 30 40 FIEB CCOc1c(Cl)cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc1Cl 408750852 SMTGQODPPSXMOD-WSVATBPTSA-N 355.181 4.141 30 40 FIEB N#CCOc1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1 23150638 OIEOVIMPCBSJDO-UHFFFAOYSA-N 356.381 4.465 30 40 FIEB CCn1cc(/C=C2\Oc3c(ccc(O)c3CN(C)C)C2=O)c2ccccc21 28182784 NEHVMHHNIOSNQY-JAIQZWGSSA-N 362.429 4.045 30 40 FIEB COc1cc(/C=N\O)cc(Cl)c1OCc1cccc(Br)c1 226325926 DPGGERABPZTFQG-LSCVHKIXSA-N 370.630 4.498 30 40 FIEB COc1ccc(NC(=O)CCSc2nc(C)c(C)c(C)c2C#N)cc1 1428486 PYNLJQWLERXJGI-UHFFFAOYSA-N 355.463 4.008 30 40 FIEB C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2C#N)nc2ccccc21 5619040 NMBNIKXTGABCEE-CQSZACIVSA-N 362.458 4.213 30 40 FIEB C=CCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2[C@H]1c1ccccc1F 6743363 HOZYLGPZCDKFGA-LJQANCHMSA-N 363.388 4.280 30 40 FIEB COc1ccccc1-c1nnc(SCCC#N)n1CCc1ccccc1 6790388 QEEPJIQRNSONMY-UHFFFAOYSA-N 364.474 4.202 30 40 FIEB N#Cc1cccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c1 11459688 OLVHODBLOAPQHW-UHFFFAOYSA-N 351.793 4.438 30 40 FIEB Cc1ccccc1C(=O)/N=C1\c2ccccc2CN1c1ccc(C#N)cc1 12653020 QWDXFODUAPUDGG-YYDJUVGSSA-N 351.409 4.474 30 40 FIEB C=CCNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1 12907380 DKFVLLVTTSSGKU-UHFFFAOYSA-N 368.440 4.062 30 40 FIEB COC(=O)c1cc(/C=C2/Cc3cc4c(cc3C2=O)CCC4)cc2c1CCC2 16958679 SLVZSMHBJJVTAJ-OCKHKDLRSA-N 358.437 4.273 30 40 FIEB O=C(/C=C/Nc1cccc(OC(F)(F)F)c1)c1ccc2c(c1)OCO2 44842711 FYBFQWKGAPBWME-VOTSOKGWSA-N 351.280 4.122 30 40 FIEB COCCOc1ccc(C(=O)/C=C/c2cc([N+](=O)[O-])ccc2Cl)cc1 48324569 YKXQTYPNRWQDJC-RUDMXATFSA-N 361.781 4.170 30 40 FIEB CC(C)(C)c1ccc(-c2nnc(S)n2N=Cc2ccc(O)cc2)cc1 245241493 FXRMEWQEXBZFLT-UHFFFAOYSA-N 352.463 4.119 30 40 FIEB Brc1cc(/C=N\c2ccc3c(c2)OCO3)oc1N1CCCC1 408859620 YRCJCCYXHQONMD-NVMNQCDNSA-N 363.211 4.122 30 40 FIEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1Cl 2055081 RUAXDJSLCHBUCX-SFHVURJKSA-N 359.853 4.261 30 40 FIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCc4ccc(F)cc4)[C@H]3C[C@H]12 4028688 LRVWHXPTQLKMLD-CDVBAKLBSA-N 357.469 4.230 30 40 FIEB biogenic C=CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(Cl)cc1 5556244 KDBWTSYRBQWKLV-KRWDZBQOSA-N 351.789 4.178 30 40 FIEB C=CCNC(=O)c1ccccc1NC(=O)c1ccccc1SC(C)C 8040735 DKBCYIOXLPCPSO-UHFFFAOYSA-N 354.475 4.355 30 40 FIEB C=CCn1c(-c2ccccc2)nn(CN2CCc3sccc3C2)c1=S 12773874 CAVWJOXKMMEBSW-UHFFFAOYSA-N 368.531 4.344 30 40 FIEB N#CCC[C@@H](C#N)CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 12890553 RVQOPMUGTHYEGQ-ZDUSSCGKSA-N 362.462 4.297 30 40 FIEB N#Cc1ccccc1OCCN1CCC(c2nc3ccccc3s2)CC1 13690935 NUIUNUQJEPQCKK-UHFFFAOYSA-N 363.486 4.426 30 40 FIEB N#Cc1cccc(/C=C(\Cl)c2nc3sc4c(c3c(=O)[nH]2)CCC4)c1 14178677 RWEREEYTEJADBC-JYRVWZFOSA-N 353.834 4.082 30 40 FIEB N#CCOc1c(NC(=O)c2ccccc2)c2sc3ccccc3n2c1C#N 41154928 AGLBQPPJIANYCS-UHFFFAOYSA-N 372.409 4.180 30 40 FIEB C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H](C)n1cnc2ccccc21 65453223 RTEQREYDHQIURS-HUUCEWRRSA-N 364.474 4.488 30 40 FIEB C=CCOc1cccc(NC(=S)NCCN(CC)c2ccc(C)cc2)c1 225794181 NAYSJDPQTUUVHP-UHFFFAOYSA-N 369.534 4.373 30 40 FIEB C=C1C[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@@]2(C)[C@]1(OC(C)=O)C(C)=O 504581415 CKFBRGLGTWAVLG-ZFPSYYEBSA-N 370.489 4.185 30 40 FIEB biogenic C=CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)Cc1cccs1 16395424 KYRJNQHATIHBOJ-UHFFFAOYSA-N 371.462 4.004 30 40 FIEB C=CCC(CC=C)(CNC(=O)C(=O)Nc1ccc(C)cc1)c1ccccc1 6745132 MGALERWSMYFXRQ-UHFFFAOYSA-N 362.473 4.140 30 40 FIEB CCOc1ccc2c(c1)C(=O)/C(=C(/C)NCCc1ccc(OC)cc1)S2 101537938 KKNRKFVZLDGLLP-KGENOOAVSA-N 369.486 4.446 30 40 FIEB Cc1ccc(Oc2ccc(C#N)c(C#N)c2)c(-n2nc3ccccc3n2)c1 727334 GGOKXCBDXFVUIT-UHFFFAOYSA-N 351.369 4.265 30 40 FIEB C#CCn1c(C)c(/C=N/Nc2nc3ccccc3n2CC)c2ccccc21 408692849 WVKBRRQSQCOHHB-HZHRSRAPSA-N 355.445 4.399 30 40 FIEB Cc1cc([N+](=O)[O-])ccc1N=C1NC(=O)/C(=C\c2ccc(Cl)cc2)S1 408755178 ZEXRMDXIRLFMMP-OQLLNIDSSA-N 373.821 4.448 30 40 FIEB Cn1cc(/C=C2/SC(O)=N/C2=N\c2cccc(C(F)(F)F)c2)cn1 80338381 BVXMVNCQMJKEAF-LFYBBSHMSA-N 352.341 4.171 30 40 FIEB C#CCOc1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 409105887 JQOHYKDXERUSPJ-SRZZPIQSSA-N 363.295 4.072 30 40 FIEB C#CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3Cl)c2C)C1=O 409045146 FHFFVNMZHDGNLV-GZTJUZNOSA-N 370.861 4.417 30 40 FIEB CCOc1cc(/C=N/c2oc(C)c(C)c2C#N)cc(Br)c1O 408719105 JCKGCDIWCABOBR-UFWORHAWSA-N 363.211 4.386 30 40 FIEB C#C[C@]1(O)CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 245239629 LFSRETZWVUHKLB-JSXDIISVSA-N 356.506 4.245 30 40 FIEB N#Cc1cccc(C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)c1 5116828 YZSHIUALBARBJE-NRFANRHFSA-N 366.424 4.148 30 40 FIEB C/N=C1\S[C@@H](CC(=O)Nc2ccc(C(C)C)cc2)C(=O)N1C1CCCC1 15231149 AMHDRHWKOJDYJO-UNEBPCJRSA-N 373.522 4.011 30 40 FIEB COc1cc(/C=N/Nc2ccccc2[N+](=O)[O-])ccc1OCCC(C)C 5504725 GUGSLWUIHNHBMU-DEDYPNTBSA-N 357.410 4.474 30 40 FIEB O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccco1)c1cccs1 1050097 KWEAFEKYWITKJC-INIZCTEOSA-N 351.383 4.124 30 40 FIEB C=CCOc1ccc(/C=C2/N=C(c3cccs3)OC2=O)cc1OCC 1824668 YYLWXWKYKCLICT-SDNWHVSQSA-N 355.415 4.056 30 40 FIEB C[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc([N+](=O)[O-])s3)c2C#N)C1 4078834 ZPTIUEYORLMQKG-QLCVYAKKSA-N 373.459 4.366 30 40 FIEB O=C(/C=C/c1ccccc1OC(F)F)c1ccc(N2CCOCC2)cc1 5129620 DIKACPZBWHEOSV-JXMROGBWSA-N 359.372 4.021 30 40 FIEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(OCc3ccccc3F)cc2)nc1 5590717 IYTRKSMCFLXLES-SSDVNMTOSA-N 366.352 4.154 30 40 FIEB COc1ccccc1/C(C)=N/NC(=S)Nc1ccccc1C(F)(F)F 5656638 ZCJJPPXJOKUQAF-SSDVNMTOSA-N 367.396 4.425 30 40 FIEB CCOc1cc(/C=C2\S/C(=N\c3cc(C)cc(C)c3)NC2=O)ccc1O 5718514 MECMBIDKVZRODN-WQRHYEAKSA-N 368.458 4.299 30 40 FIEB N#Cc1ccc(/C=C/C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 9335676 MWITUZBUBLAWRV-OJLWIZQOSA-N 374.440 4.096 30 40 FIEB O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1ccccc1)Nc1nonc1N2 12409233 ALRHUGTWLUJUSP-PXAZEXFGSA-N 364.430 4.111 30 40 FIEB C[C@@H](OC[C@@H]1CCCCO1)C(=O)Nc1sc(-c2ccccc2)cc1C#N 69356534 CKMQCVPEPHKKOO-PBHICJAKSA-N 370.474 4.199 30 40 FIEB CC(C)Cc1n[nH]c(/N=C(\O)[C@@H](C)c2ccc(C[C@@H]3CCCC3=O)cc2)n1 95479633 HEZJWYLPZNHZIZ-YOEHRIQHSA-N 368.481 4.307 30 40 FIEB C=CCN(c1ccc(CC)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224956770 RYCJQXCMMFYHKN-UHFFFAOYSA-N 365.882 4.292 30 40 FIEB CCOc1ccc2sc(N=Cc3cc([N+](=O)[O-])cc(OC)c3O)nc2c1 254904585 GRDIIPSRMPXGMP-UHFFFAOYSA-N 373.390 4.068 30 40 FIEB Cc1ccc(/N=C\c2ccccc2I)cc1[N+](=O)[O-] 408553093 XBJABVVUYBVDCB-SXGWCWSVSA-N 366.158 4.258 30 40 FIEB C=CCn1c(CCCC)nnc1SCC(=O)Nc1ccc(C)cc1C 408560222 FJNOINNRBAUZJH-UHFFFAOYSA-N 358.511 4.154 30 40 FIEB CCCCCCCCCCCCNC(=O)C(=O)NCc1cccs1 408710341 YEIPCMUJVXQDON-UHFFFAOYSA-N 352.544 4.401 30 40 FIEB CC1=C[C@H](OC(=O)c2ccccc2)[C@H](C(C)C)[C@H](O)C[C@]2(C)O[C@H]2CC1 1543357008 LJBSCFGBDJEORR-QWPXSNKBSA-N 358.478 4.133 30 40 FIEB O=C(/C=C/c1ccccc1C(F)(F)F)c1cccc(N2CCOCC2)c1 11334582 ZAYNZTFRALMRAR-CMDGGOBGSA-N 361.363 4.438 30 40 FIEB C=C(C)C(=O)N(CCCCCCCCCCCC)CCS(=O)(=O)O 102564863 JDEFBUPTWFYSDD-UHFFFAOYSA-N 361.548 4.200 30 40 FIEB C=CCOc1ccc(C(=O)Nc2ccc3c(ccn3CCOC)c2)cc1 58201289 WTCDNELZEPGEFV-UHFFFAOYSA-N 350.418 4.105 30 40 FIEB Cc1nc(-c2cc(C)n(CC(=O)Nc3cccc(C#N)c3)c2C)cs1 12769720 QZZPXBVVIBDHGS-UHFFFAOYSA-N 350.447 4.047 30 40 FIEB COc1cc(-c2c(-c3ccccc3)c[nH]c(=N)c2C#N)ccc1OC(C)C 408980494 RKKWKPNJNTZGMF-UHFFFAOYSA-N 359.429 4.496 30 40 FIEB C#CCOc1ccc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc1Cl 409050204 SNIVCWNKSMFRJR-DHDCSXOGSA-N 365.907 4.209 30 40 FIEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC(Cc2ccccc2)CC1 17166691 NHOBGIRLDVEUEG-UHFFFAOYSA-N 373.456 4.345 30 40 FIEB O=C(O/N=C(/Cc1ccccc1)c1cccs1)c1ccc([N+](=O)[O-])cc1 409051524 AZBBCSJGWBUUGS-JZJYNLBNSA-N 366.398 4.460 30 40 FIEB Cc1ccc(CN2CCC[C@@H]2c2cccc(Nc3ccc(C#N)nc3)n2)nc1 585294478 GFLZMEMEVFOUSY-OAQYLSRUSA-N 370.460 4.132 30 40 FIEB CC(C)OC(=O)C/C(=N/Nc1nc(-c2ccccc2)cs1)C(F)(F)F 4476685 BXOZBLFWAIUABB-BKUYFWCQSA-N 371.384 4.482 30 40 FIEB CC1(C)CC(=O)C([C@H](c2ccc(Cl)cc2)[C@H](C#N)C(N)=S)=C(O)C1 1087482 RGLKMAXBVHBMOU-SWLSCSKDSA-N 362.882 4.051 30 40 FIEB Cc1cc([N+](=O)[O-])ccc1/N=C/c1ccc(Br)c([N+](=O)[O-])c1 4460332 IDBABXOEYRFVAP-LZYBPNLTSA-N 364.155 4.325 30 40 FIEB O=C(/C=C/c1ccc(OC(F)F)cc1)c1cccc(N2CCCC2=O)c1 7350115 YQFZBYYYNACRBG-DHZHZOJOSA-N 357.356 4.311 30 40 FIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2)cc1 17160923 MSVAAEUGSWPWAL-HXUWFJFHSA-N 373.408 4.367 30 40 FIEB Cc1cc(C)cc(OCc2nnc(SCc3cccc(C#N)c3)o2)c1 20197018 FDYNAZXSTIWWDR-UHFFFAOYSA-N 351.431 4.429 30 40 FIEB N#Cc1c(Cl)nsc1N1CCCN(Cc2ccc(Cl)cc2)CC1 51592334 SCINCMWMYMOQDW-UHFFFAOYSA-N 367.305 4.034 30 40 FIEB O=C(O)COc1ccc(/C=N/c2cccc(Br)c2)cc1Cl 59302725 MTCNHHYFHDNBFC-QGMBQPNBSA-N 368.614 4.317 30 40 FIEB CCCCCCCCS(=O)(=O)N/N=C/c1c(O)ccc2ccccc12 97960684 QJWRYARVCQGCQC-HMMYKYKNSA-N 362.495 4.159 30 40 FIEB C=CCSc1ccccc1C(=O)NCC1(c2ccccc2)CCOCC1 224790534 AXLYWIIQZKIAKO-UHFFFAOYSA-N 367.514 4.443 30 40 FIEB Cc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(CC#N)cc2)cc1C 225789910 JYWTVVCOKLJEPK-MRXNPFEDSA-N 353.491 4.123 30 40 FIEB COc1ccc2c(c1)OCc1sc(/N=C/c3ccccc3[N+](=O)[O-])nc1-2 408723442 UWMIAFQMTXYEBA-DJKKODMXSA-N 367.386 4.370 30 40 FIEB O=[N+]([O-])c1cc(/C=N/c2ccc(Br)c(Cl)c2)ccc1O 408905369 XYOIEAAEIAHPRN-FRKPEAEDSA-N 355.575 4.467 30 40 FIEB C/C(C/C(C)=N/Nc1ccc([N+](=O)[O-])cc1)=N/Nc1ccc([N+](=O)[O-])cc1 670418703 NAJRFRVESWJFGX-MGYAYREDSA-N 370.369 4.169 30 40 FIEB C=CCn1c(SCC(=O)c2ccc(C)cc2)nc2sc(C)cc2c1=O 784826 QGPCDOWANRSZBA-UHFFFAOYSA-N 370.499 4.236 30 40 FIEB CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1nc(C2CC2)nc2ccccc12 10943509 GWVMNVRXYYBIHX-RNODOKPDSA-N 368.506 4.042 30 40 FIEB C=C[C@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccccn3)c2C)C1=O 409235430 PUHOMZRFWOXENG-IEMQHYRPSA-N 353.447 4.100 30 40 FIEB COc1ccc(NCC(=O)Nc2ccccc2SCC#N)cc1Cl 15294262 XSQVFLYLNHDHKI-UHFFFAOYSA-N 361.854 4.015 30 40 FIEB C=CCc1cc(/C=N\c2cc(C)ccc2C)cc(OC)c1OCC(=O)O 408851330 XVPBHAAXAGLDFB-UUYOSTAYSA-N 353.418 4.255 30 40 FIEB CCCc1nc(SCc2ccc(Cl)cc2Cl)nc(N)c1C#N 225891955 BHCFAHWGSJTYDE-UHFFFAOYSA-N 353.278 4.482 30 40 FIEB C=CCOc1cccc(NC(=S)NCCCSCc2ccco2)c1 225594921 VUBSCWZZMDZWNA-UHFFFAOYSA-N 362.520 4.454 30 40 FIEB C=C(F)C(=O)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)F 885164014 AWZGPXROULOHJW-UHFFFAOYSA-N 358.078 4.074 30 40 FIEB C/N=C(\S)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccc(N(C)C)cc1 13522773 DRGNTWYQJADYTL-LJQANCHMSA-N 352.507 4.128 30 40 FIEB Cc1ccc2nc(SCC(=O)N3c4ccccc4C[C@@H]3C)c(C#N)cc2c1 4848874 ZEOPBTPANBEFIX-HNNXBMFYSA-N 373.481 4.485 30 40 FIEB O=C(/C=C/c1ccc(OC(F)F)cc1)c1ccc(N2CCCC2=O)cc1 5231537 AFJSIELBGDNLCS-LFYBBSHMSA-N 357.356 4.311 30 40 FIEB C/N=C(/S)N(C1=NC[C@H](c2ccc([N+](=O)[O-])cc2)S1)c1ccccc1 5688904 XRBFZUAQWBIEEZ-OAHLLOKOSA-N 372.475 4.161 30 40 FIEB C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)C3CCCCC3)ccc21 8958738 FIPYYYRUEYTODA-UHFFFAOYSA-N 356.466 4.143 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@@H]1c1cccs1 9576760 GAGLPAKUZBANTI-VQIMIIECSA-N 356.443 4.076 30 40 FIEB COc1ccccc1CN/N=C/c1ccc(OCc2cccc(C#N)c2)cc1 20762863 PWKRIJKPDWGJIA-MFKUBSTISA-N 371.440 4.270 30 40 FIEB C#CCOc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccccc2)cc1OC 31820001 AWJHNGDXSQSODY-KRWDZBQOSA-N 373.412 4.017 30 40 FIEB CCCCC(=O)Nc1ccc(/N=C/c2cccc([N+](=O)[O-])c2O)cc1OC 32115565 MEXMOXTVPRIINU-UDWIEESQSA-N 371.393 4.188 30 40 FIEB CC(=O)O[C@H]1C[C@]2(C)[C@@H](C(C)=O)CC[C@H]2[C@@H]2CCC3=CC(=O)CC[C@]3(C)[C@@H]12 82078692 IWRPVTXREVYBHT-NMQDCJKTSA-N 372.505 4.265 30 40 FIEB biogenic CCCC[C@H](ON=C(C)C)C(=O)N[C@H]1CCSc2c(F)cccc21 96004297 CQNNZBMWIGPGKQ-HOTGVXAUSA-N 352.475 4.450 30 40 FIEB CC/C(=C\C(=O)c1c(O)c2ccccc2n(C)c1=O)Nc1ccc(C)cc1 104807813 BDPYVWGWLMGIID-FYWRMAATSA-N 362.429 4.141 30 40 FIEB C=C(C)COc1cccc(C(=O)Nc2ccccc2C(=O)NCCC)c1 219783162 TYOJKYIZPZRFCI-UHFFFAOYSA-N 352.434 4.034 30 40 FIEB COc1cccc(/N=C\c2ccc(OCC(=O)NCc3ccccc3)cc2)c1 408810623 UIECAGNIZYWNJB-IWIPYMOSSA-N 374.440 4.141 30 40 FIEB C=CCOC(=O)c1c(N)n(-c2cc(C)ccc2C)c2nc3ccccc3nc12 2194664 HMGCQIOJUWLWNW-UHFFFAOYSA-N 372.428 4.116 30 40 FIEB Cc1ccc2nc(SCC(=O)Nc3cccc(F)c3)c(C#N)cc2c1 4848887 ZEIAUHGUMAPGPU-UHFFFAOYSA-N 351.406 4.285 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2cccc(OC)c2)C[C@@H]1c1cccs1 4919333 ZTBROBNFCNPTCZ-VQIMIIECSA-N 356.443 4.076 30 40 FIEB N#Cc1cccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)c1 7057614 LNYMPVDRZVIKHI-UHFFFAOYSA-N 350.399 4.151 30 40 FIEB C=CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)/C=C/c1ccccc1 7759146 VKSINEQYQBGHRT-SDNWHVSQSA-N 359.429 4.273 30 40 FIEB CCCOc1ccc2ccccc2c1/C=N/N1C(=O)c2ccccc2C1=O 7944699 XVROCOBNONBVQE-OEAKJJBVSA-N 358.397 4.259 30 40 FIEB O=C1C[C@@H](c2ccc(Cl)cc2Cl)C2=C(O1)C(=O)c1ccccc1C2=O 101573133 JIMSVBDGFXPIKO-ZDUSSCGKSA-N 373.191 4.357 30 40 FIEB CCc1cccc2c(C(=O)[C@H](C#N)C(=O)CSC3CCCC3)c[nH]c12 103780573 GBLACJCVNDPWSI-MRXNPFEDSA-N 354.475 4.298 30 40 FIEB CC1=CC(C)(C)N(C)c2cc(C)c(/C=N/Nc3ccc([N+](=O)[O-])cn3)cc21 208456790 CERUGPWNFAAAML-SSDVNMTOSA-N 365.437 4.376 30 40 FIEB C=CCc1cc(C(=O)NCc2ccc(N(CC)CC)cc2)ccc1OC 224923755 MORYGVYFTIFUJX-UHFFFAOYSA-N 352.478 4.200 30 40 FIEB C=C[C@]1(O)CC[C@@H]2[C@H]3C[C@@H]4O[C@@]45C[C@@H](OC(C)=O)CC[C@]5(C)[C@@H]3CC[C@]21C 253498804 RSBPOYAJCVXJON-LBDXOHDDSA-N 374.521 4.009 30 40 FIEB C=CCOc1ccc(Br)cc1C=C1C(=O)c2ccccc2C1=O 408813884 DXAKSLLDJIVNIF-UHFFFAOYSA-N 369.214 4.477 30 40 FIEB Cc1cc(C)c2nc(SCC(=O)NC3CCCCC3)c(C#N)cc2c1 4849137 PPWPDMWTDJGQFL-UHFFFAOYSA-N 353.491 4.264 30 40 FIEB Cc1nc(S[C@@H](C)C(=O)Nc2ccc(Cl)cn2)c(C#N)c(C)c1C 5089314 FXWBFKFGZRSADR-LBPRGKRZSA-N 360.870 4.046 30 40 FIEB O=C1N/C(=N/c2cccc(C(F)(F)F)c2)S/C1=C\c1ccc(O)cc1 5376345 KKOBRARPHWRVFQ-ZSOIEALJSA-N 364.348 4.303 30 40 FIEB S=C(N/N=C(/c1ccccc1)c1ccccn1)Nc1ccccc1Cl 6514072 NUGHTOYKAXQEHF-NKFKGCMQSA-N 366.877 4.474 30 40 FIEB Cc1nc(-c2cccnc2)sc1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 16957613 NIZBFYLGJDSPQW-BQYQJAHWSA-N 351.387 4.318 30 40 FIEB CCCCCCCCCCOC(=O)C[N+](C)(C)C[C@@H]1CCCC[C@H]1O 17595884 RSXRUILBVIGUDZ-VQTJNVASSA-N 356.571 4.298 30 40 FIEB N#Cc1ccc(F)c(CSc2n[nH]c(/C=C/c3ccc(F)cc3)n2)c1 24126463 HWGLVOPDTLRQDZ-XBXARRHUSA-N 354.385 4.417 30 40 FIEB N#Cc1ccc(NC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1 25706253 RPRGQGGNNHENTI-UHFFFAOYSA-N 356.385 4.455 30 40 FIEB O/C(CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)=N\c1ccccc1F 82098446 FDXLGBHZKLAXOF-GOSISDBHSA-N 370.424 4.412 30 40 FIEB O=c1[nH]c2ccccc2nc1-c1ccccc1/N=C/C1Nc2ccccc2N1 95116782 AAPWONMLAVRCKW-YDZHTSKRSA-N 367.412 4.156 30 40 FIEB C(=N/n1c(-c2ccco2)cs/c1=N/CCc1ccccc1)\c1ccco1 103459237 JXBMTCILOXKSFL-RCCKDYCJSA-N 363.442 4.428 30 40 FIEB CSc1nn(-c2ccccc2)c(NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c1C#N 105887377 ORBPTMWYDZBANG-SOUVJXGZSA-N 366.490 4.231 30 40 FIEB CCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 147449999 DSIOFKJMEAGWMZ-UHFFFAOYSA-N 360.138 4.465 30 40 FIEB N#Cc1ccc(CN(Cc2cccc(F)c2)Cc2cc3n(n2)CCCC3)cc1 593018467 FYQYDTOOTFZRHA-UHFFFAOYSA-N 374.463 4.433 30 40 FIEB COP(=O)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC 627276211 FDCFCBGZKWTPQN-UHFFFAOYSA-N 356.121 4.331 30 40 FIEB C=CCOc1ccc(/C=C2\SC(=S)N(c3ccc(O)cc3)C2=O)cc1 1786552 GHPXPFPOBQTRGE-ATVHPVEESA-N 369.467 4.363 30 40 FIEB C=CCn1c([C@H]2CC(=O)N(c3ccccc3OCC)C2)nc2ccccc21 4385048 WSJVINCQYWYURD-INIZCTEOSA-N 361.445 4.142 30 40 FIEB C=CCn1c(SCc2csc(C)n2)nnc1-c1ccccc1OC 6076828 GXUZIITVGYFKTJ-UHFFFAOYSA-N 358.492 4.197 30 40 FIEB O=C1N/C(=N\c2ccc(Cl)cc2Cl)S/C1=C\c1cccnc1 11640051 LRSSTTQMBVKJCS-MLPAPPSSSA-N 350.230 4.280 30 40 FIEB CC(C)c1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]nc(O)c32)cc1 12347580 WEDOSOKPIVSJKO-INIZCTEOSA-N 351.450 4.439 30 40 FIEB Cc1ccsc1/C=C1\Oc2cc(OCC(=O)OC(C)(C)C)ccc2C1=O 13778845 BNIDIVGJOLENSI-YBEGLDIGSA-N 372.442 4.393 30 40 FIEB C=CCn1c(-c2cccs2)cs/c1=N\c1ccc2c(c1)OCCO2 27027688 PVGAFAIBLUJDCW-HNENSFHCSA-N 356.472 4.468 30 40 FIEB CCC/C(=N\c1ccc(OC)cc1)C1=C(O)[C@H](C(=O)OC)C(C)(C)CC1=O 102872568 JQEUIKXPLHWZCD-GNFOSXPUSA-N 373.449 4.168 30 40 FIEB Cc1ccc2nc(NC(=O)C(=O)[C@@H](C#N)c3ccc(Cl)cc3)sc2c1 6490967 DLOMRGWAUIWNTE-ZDUSSCGKSA-N 369.833 4.073 30 40 FIEB N#Cc1ccc(NC(=O)c2cccc(OC[C@@H]3CCCO3)c2)cc1Cl 26368326 DALOICZBNPYAGE-KRWDZBQOSA-N 356.809 4.022 30 40 FIEB C=CCN1C(=O)/C(=C/C=C2\N(C)c3ccccc3C2(C)C)SC1=S 4498173 BNRSQCUOPLBUHF-XCMCHEKJSA-N 356.516 4.228 30 40 FIEB C=CCn1c(SCC(=O)c2ccc(C#N)cc2)nnc1C1CCCCC1 14139128 NFSKFPOQBNBALZ-UHFFFAOYSA-N 366.490 4.358 30 40 FIEB Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3ccccc3[N+](=O)[O-])S2)c1 4696371 MZQHWKWBNKXPNV-YBEGLDIGSA-N 353.403 4.103 30 40 FIEB CCn1c(SCC(=O)c2ccc(C#N)cc2)nnc1-c1ccc(C)cc1 9328141 NKGNHFYCKMOXDH-UHFFFAOYSA-N 362.458 4.120 30 40 FIEB COC(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc(C)cc2)cc1OC 408691494 AQRAIHFSYXCVCT-RMKNXTFCSA-N 374.820 4.105 30 40 FIEB N#CCOc1ccccc1/C=C(/CC(=O)O)c1nc2ccccc2s1 32642101 HEQIBZLRXDHQDP-KAMYIIQDSA-N 350.399 4.214 30 40 FIEB N#Cc1c(N)nc(SCc2ccccc2Cl)nc1Cc1ccccc1 223664412 MNHKAMOPJSQRMF-UHFFFAOYSA-N 366.877 4.467 30 40 FIEB C=C1CC[C@H]2[C@@](C)(CCC[C@@]2(C)C(=O)O)[C@@H]1CCC1=C[C@H](OC)OC1=O 1077995417 OREKSZUASHFFQA-BPERIUBUSA-N 362.466 4.086 30 40 FIEB biogenic CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]2CC[C@]2(C)[C@@H]4O[C@]4(C(C)=O)C[C@H]32)C1 1772491573 GWZAVXCYXHGFFE-JCMLNWKASA-N 372.505 4.217 30 40 FIEB C=C[C@]1(O)CC[C@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@@H](OC(C)=O)CC[C@]5(C)[C@H]3CC[C@@]21C 25074732 RSBPOYAJCVXJON-CBICQHJSSA-N 374.521 4.009 30 40 FIEB COc1cc(/C=N\Nc2ccc(Br)cc2)cc(Cl)c1O 30735410 QAJABSPPXZZMHJ-IUXPMGMMSA-N 355.619 4.263 30 40 FIEB Oc1ccccc1/C=N\n1c(S)nnc1-c1ccc(Cl)cc1Cl 1183731 VSPLZTPGJAKDAX-LSCVHKIXSA-N 365.245 4.128 30 40 FIEB CN(C)c1ccc(N2C(=O)/C(=C\c3ccc(C#N)cc3)SC2=S)cc1 6621228 NCCVSEKMLLYXHT-GZTJUZNOSA-N 365.483 4.030 30 40 FIEB COc1cc(/C=C2\S/C(=N/c3ccccc3)N=C2O)cc(OC)c1OC 6641366 JUNUZQZFMFVYDC-WJDWOHSUSA-N 370.430 4.444 30 40 FIEB C=CCN1CCc2cc(-c3cncn3C[C@@H](C)n3nc(C)cc3C)ccc21 19719375 XSHZRDWQCPOREQ-GOSISDBHSA-N 361.493 4.173 30 40 FIEB CCc1nnc([C@H]2C(=N)S/C(=C\c3c(F)cccc3Cl)C2=O)s1 33778192 AKOIMASRGOCUIT-KFMFNYJESA-N 367.858 4.311 30 40 FIEB COc1cc(/C=N/N(c2ccccc2)c2ccccc2)cc([N+](=O)[O-])c1O 34800897 ODWMXFKYEIVOLF-KGENOOAVSA-N 363.373 4.481 30 40 FIEB COC(=O)c1cc(S[C@H](C)C(=O)Nc2cccc(C#N)c2)ccc1Cl 79058163 ZIPUBHZXAYBELF-LLVKDONJSA-N 374.849 4.118 30 40 FIEB Cc1ccc2c(c1)/C(=N/Nc1ccc(C)c(Cl)c1)C(=O)N2C1CSC1 223721400 NNZLWPONVVEJQC-PYCFMQQDSA-N 371.893 4.235 30 40 FIEB CCc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CCCC3)cc1 408628718 WJNVXFKVHFCLCN-UHFFFAOYSA-N 369.515 4.188 30 40 FIEB Cc1ccc2cc(C#N)c(SCC(=O)N3c4ccccc4C[C@@H]3C)nc2c1 4848989 KLZKXDNYMZUIGF-HNNXBMFYSA-N 373.481 4.485 30 40 FIEB C=CCSc1ccccc1NC(=O)c1ccc(CN2CCCC2=O)cc1 32738259 QJXPKCFUFXUCLD-UHFFFAOYSA-N 366.486 4.339 30 40 FIEB O=[N+]([O-])c1cc(Br)c(O)c(/C=N\c2ccc(Cl)cc2)c1 113856211 SVSPSNPBNIGKJV-APSNUPSMSA-N 355.575 4.467 30 40 FIEB COc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1OC 655511 ILWRZUAAMOIFRS-NSHDSACASA-N 356.447 4.014 30 40 FIEB CCOc1ccc(N/C(S)=N\N=C(/C)Cc2ccc(OC)cc2)cc1 8687613 LVYMNVPLMPZMMO-KGENOOAVSA-N 357.479 4.410 30 40 FIEB Cc1sc2ncn(/N=C/c3cccc(Cl)c3Cl)c(=O)c2c1C 3340213 ANDCQUHMKCVQIS-KPSZGOFPSA-N 352.246 4.264 30 40 FIEB C=CCc1cc(OC)ccc1OCCN1CCCC[C@H]1c1cccnc1 8737976 CPDRDUXZXMJPET-NRFANRHFSA-N 352.478 4.425 30 40 FIEB biogenic Cc1ccc([C@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ncnn32)cc1 5302622 QUAKICSHPSUQHK-UTKZUKDTSA-N 356.429 4.002 30 40 FIEB N#Cc1ccc(OCC(=O)Nc2cccc(/C=C/c3ccccn3)c2)cc1 6652281 MNUZQRIXLBRKTL-JXMROGBWSA-N 355.397 4.141 30 40 FIEB CCOc1ccc(/C=N\OCC(=O)Nc2ccc(C)cc2C)cc1OCC 33490536 PZJXIEQTAQBOAC-XKZIYDEJSA-N 370.449 4.090 30 40 FIEB CN(C)[C@@H](CNc1oc(-c2ccc(F)cc2)nc1C#N)c1ccsc1 1775976098 OJCPQFPSHBOHLR-INIZCTEOSA-N 356.426 4.129 30 40 FIEB C#CCOc1ccccc1CN1[C@H]2CC[C@@H]1CC(O)(c1ccc(C)cc1)C2 12345644 KBYSACXUAHUKAW-RIKCKFAHSA-N 361.485 4.022 30 40 FIEB CCCC(=O)Nc1ccc(Cl)c(/N=C/c2cc([N+](=O)[O-])ccc2O)c1 6263833 DZKFFRMWNVOWRA-VXLYETTFSA-N 361.785 4.443 30 40 FIEB CCCC[C@@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccccc1[N+](=O)[O-] 4626446 VRPWAJRKALCHQX-KDOFPFPSSA-N 374.437 4.096 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccccc2)C[C@@H]1c1cccc(OC)c1 6758385 WRISZSJOVVTGAX-CTNGQTDRSA-N 350.414 4.015 30 40 FIEB COCC/N=C1/Sc2nc3c(C)cccc3cc2CN1Cc1ccco1 13150759 FIUFLAMLZBCURL-QZQOTICOSA-N 367.474 4.247 30 40 FIEB N#Cc1c(NC(=O)CC2(C(=O)O)CCCCCC2)sc2c1CCCC2 16481956 AMNNEONPGNJWEN-UHFFFAOYSA-N 360.479 4.252 30 40 FIEB CCCCCCCC1=NN2C(=N)/C(=C\c3ccc(O)cc3)C(=O)N=C2S1 97958781 UFMIKUSRHPFGTK-YXIKXFKQSA-N 370.478 4.372 30 40 FIEB C=CCN(c1ccc(F)cc1F)S(=O)(=O)c1ccc(OC)c(Cl)c1 224962612 LFRSXCYLAKNKQP-UHFFFAOYSA-N 373.808 4.008 30 40 FIEB C=CCN1C(=O)/C(=C\c2ccc(O)c(OC)c2)S/C1=N\c1ccccc1 408730665 SZHJFTKQRMAZKV-BIXZQSIESA-N 366.442 4.191 30 40 FIEB C#CCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)ON=C1c1ccccc1 409082776 SRSPHVQSNXGRSX-GDNBJRDFSA-N 372.207 4.350 30 40 FIEB Cc1c(Cl)cnc(N2CCC(C(=O)c3ccc(F)cc3)CC2)c1C#N 580930298 RUHXTIJREGZLHG-UHFFFAOYSA-N 357.816 4.154 30 40 FIEB N#Cc1cnc(SCc2ncc(C(F)(F)F)cc2Cl)c(C#N)c1 1397356 MGKFASZMAQTKCL-UHFFFAOYSA-N 354.744 4.184 30 40 FIEB O=[N+]([O-])c1cc2c(cc1/C=N/N=C1c3ccccc3-c3ccccc31)OCO2 1710192 ZHKYJIPYJZPLIG-SSDVNMTOSA-N 371.352 4.175 30 40 FIEB Cc1nnc(S[C@H](C)C(=O)Nc2cccc(C#N)c2)n1C1CCCCC1 5865732 PWXZURPMOZHLPP-CYBMUJFWSA-N 369.494 4.083 30 40 FIEB CCOc1ccc(OCCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 6600179 PRTZXCOIYHTMIG-UHFFFAOYSA-N 370.474 4.305 30 40 FIEB CCSc1nc2n(n1)[C@H](c1ccc(F)cc1)C1=C(CC(C)(C)CC1=O)N2 6677835 YXVBBZOKCATUIV-MRXNPFEDSA-N 372.469 4.187 30 40 FIEB CCOc1cc2c(cc1/C=C/C(=O)c1ccc(O)c(OC)c1)O[C@@H](C)C2 8322796 RIACNAUNHXXMQG-YBJDMEARSA-N 354.402 4.019 30 40 FIEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H](C)c1ccccc1Cl 12912528 LSUQKADKQXMSOK-LBPRGKRZSA-N 353.809 4.395 30 40 FIEB CC(C)CC(=O)/N=C1/N=C2C=CC(Br)=CN2Cc2ccccc21 15906452 LNZNINUOLBNDCY-DYTRJAOYSA-N 372.266 4.026 30 40 FIEB Cc1nc2n(n1)[C@@H](c1ccc(Cl)c(Cl)c1)C1=C(C[C@H](C)CC1=O)N2 22608084 FSFRPPJEMRZMTD-PWJLMRLQSA-N 363.248 4.161 30 40 FIEB C#CCOc1c(Cl)cc(/C=N/OCc2ccccc2C#N)cc1OCC 408597415 ZAYDHRRGPZVWBP-YDZHTSKRSA-N 368.820 4.173 30 40 FIEB CC1(C)OB(c2cc(F)cc(Cl)c2OCc2ccccc2)OC1(C)C 725239944 KVGNJPVXQBLIMR-UHFFFAOYSA-N 362.637 4.357 30 40 FIEB Cc1nc2ccccc2c(=O)n1/N=C/c1ccc(OCc2ccccc2)cc1 3359770 RQHDIQKDCUBZKH-BUVRLJJBSA-N 369.424 4.166 30 40 FIEB Cc1ccc(COc2ccc(/C=N/Nc3ccc([N+](=O)[O-])cn3)cc2)cc1 4048016 UQRCXBIGHAWMOK-WSDLNYQXSA-N 362.389 4.323 30 40 FIEB C[C@H](C#N)Sc1nnc(COc2ccc(Cl)cc2)n1Cc1ccco1 4986054 QLWJJACOPOJCFU-GFCCVEGCSA-N 374.853 4.156 30 40 FIEB COc1ccc(/C=N/Nc2nc(C)cc(C)n2)cc1OCc1ccccc1 5158253 GRUJPPVYZDCKRD-LPYMAVHISA-N 362.433 4.127 30 40 FIEB COc1ccc(/C(=N\OC(C)C)[C@@H]2C[C@H]2c2ccc3c(c2)OCO3)cc1 5384439 YMUCSXOQPKCMEH-CKVSNKFESA-N 353.418 4.357 30 40 FIEB C=C(C)COc1ccc(-c2nc(N)ncc2-c2ccc(OC)cc2)c(O)c1 13127203 APRGBLOXXLPHPL-UHFFFAOYSA-N 363.417 4.062 30 40 FIEB aggregator,biogenic COc1ccc(C)cc1NC(=O)CON=C1c2ccccc2-c2ccccc21 14354291 NOWNRAFJHZPSEQ-UHFFFAOYSA-N 372.424 4.392 30 40 FIEB Cc1ccc(/N=C2\C(=O)N(CN3CCC(C)CC3)c3ccccc32)cc1C 16311853 DMPQFIKKOHYUEZ-GYHWCHFESA-N 361.489 4.460 30 40 FIEB C=CCn1c(=N)n(C[C@@H](O)c2ccc(Cl)c(Cl)c2)c2ccccc21 19707531 IOTCSGQSXGEYTR-QGZVFWFLSA-N 362.260 4.149 30 40 FIEB Cn1nccc1/C=C1\C[C@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)C1=O 71785088 ANYSKZGJSBHZPP-XSZYOXLCSA-N 362.473 4.244 30 40 FIEB CN(C)/C=C/C(=O)c1cccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)c1 91695675 JPMFWDVIVUDMBZ-CMDGGOBGSA-N 363.383 4.091 30 40 FIEB COc1ccc(C(=O)/C(=C/Nc2ccccc2F)C(=O)C(F)(F)F)cc1 100862389 LRICDUGTMWZVKE-RAXLEYEMSA-N 367.298 4.144 30 40 FIEB CCOCCN1C(=O)/C(=C/c2ccccc2)S/C1=N/c1ccccc1 101396782 PDIVNGPOVYGDQO-IARUYYJSSA-N 352.459 4.327 30 40 FIEB CCOC(=O)c1cc(-c2ccc(/C=C3/C(=O)ON=C3C)o2)ccc1Cl 677874 SAKILSKWNWEEEP-UKTHLTGXSA-N 359.765 4.093 30 40 FIEB COc1ccc(-c2csc(NC(=O)c3cccc(F)c3)n2)cc1CC#N 9389893 UDOAACMVUSEBGR-UHFFFAOYSA-N 367.405 4.276 30 40 FIEB COc1ccc(/C=C2\S/C(=N\c3ccc(C)cc3C)NC2=O)cc1OC 12032531 TYXHWIUKRJNUDL-WQRHYEAKSA-N 368.458 4.212 30 40 FIEB N#CCOc1ccc2cc(-c3ccc(OC(F)(F)F)cc3)c(=O)oc2c1 12409114 XRVLWYTXVUYZRQ-UHFFFAOYSA-N 361.275 4.261 30 40 FIEB Oc1nnc(-c2ccccc2)nc1/C(=N/Nc1ccccc1)c1ccccc1 17119698 GOSWXUCBTVTDBL-NCELDCMTSA-N 367.412 4.109 30 40 FIEB COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(C(C)(C)C)cc1 19901591 LYEVJTFKFBDLKW-LJQANCHMSA-N 353.462 4.125 30 40 FIEB COc1cc(/C=C(/C(=O)C(F)(F)F)c2ncccc2C)cc(OC)c1 72312331 NDXJVOGRYVOLDQ-OQLLNIDSSA-N 351.324 4.079 30 40 FIEB CC(C)[C@H](C#N)OC(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl 78988958 IVDQJCNJDQLHHR-HNNXBMFYSA-N 350.846 4.420 30 40 FIEB O=[N+]([O-])c1ccc2c(/C=N\c3ccc(Br)cn3)c(O)ccc2c1 100699157 LRYMEAXUMWVDPB-OCKHKDLRSA-N 372.178 4.362 30 40 FIEB C=CCN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O 409071507 PDPHQYBNSWBYKD-GDNBJRDFSA-N 356.359 4.077 30 40 FIEB C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC(c2c[nH]c3ccccc23)CC1 684801861 CIDUVORLVBWFIA-UWJYYQICSA-N 367.493 4.038 30 40 FIEB Cc1ccc(/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c(Br)c1 793473 IUGTUBYMXNMICX-REZTVBANSA-N 363.167 4.145 30 40 FIEB Cc1cc(C)c(C#N)c(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1 847149 LOBKNALLKXPTPS-UHFFFAOYSA-N 365.380 4.320 30 40 FIEB C=CCOC(=O)c1c(N)n(-c2ccc(C)cc2C)c2nc3ccccc3nc12 2215603 DXTNBGMNTHVJKT-UHFFFAOYSA-N 372.428 4.116 30 40 FIEB COC(=O)c1nc(N/N=C(/C)c2ccccc2)sc1-c1ccccc1 3921354 HRJDWKDRSUYUTD-BKUYFWCQSA-N 351.431 4.433 30 40 FIEB N#CCCn1cc(C(=O)Nc2ccccc2)c(-c2cc3ccccc3o2)n1 5000333 MBVCJHCVOBPZNO-UHFFFAOYSA-N 356.385 4.462 30 40 FIEB CCCC/N=C1\S/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)N1CCCC 5552254 KASCABFGVJANIK-PIVKVMHHSA-N 361.467 4.467 30 40 FIEB COc1ccc(-c2csc(NC(=O)Cc3ccccc3)n2)cc1CC#N 9515324 IRUAWWSWMWEONS-UHFFFAOYSA-N 363.442 4.066 30 40 FIEB CCN(CC)Cc1c(O)ccc2c1O/C(=C\c1c[nH]c3ccccc13)C2=O 20648838 RAYSKXVOBNJPLJ-JAIQZWGSSA-N 362.429 4.332 30 40 FIEB CCOc1ccc(CCC(=O)Nc2ccc(CC#N)cc2)cc1OCC 30853564 ZDDUECNZYGKZJX-UHFFFAOYSA-N 352.434 4.121 30 40 FIEB C=C(C)CSc1nnc(S[C@@H](C)C(=O)N2CCCCCC2)s1 32774449 QEKAILOZHTYQIM-LBPRGKRZSA-N 357.570 4.090 30 40 FIEB C=C1C(=C)[C@@H]2C=C[C@@H]1[C@@H]1[C@@H]2[C@H]2C(c3ccccn3)=NN=C(c3ccccn3)[C@H]12 104133240 ZOZSHDLTHHXEOG-UHCOOQJHSA-N 364.452 4.090 30 40 FIEB COc1cc(/C=N/Nc2ccccc2)ccc1OCc1ccc(C(=O)O)o1 107703859 HJBMCVXYOJMYIQ-CIAFOILYSA-N 366.373 4.011 30 40 FIEB CC1(C)CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1cccc(Cl)c1Cl 801863 RUQUTWVEJBTWDR-HNNXBMFYSA-N 363.248 4.243 30 40 FIEB Cc1c(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccn2c1CCC#N 3236242 PHHFFLHRCSXBPE-UHFFFAOYSA-N 367.792 4.497 30 40 FIEB CCc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)c2ccc(Cl)cc2)cc1 6053082 RYVTZMRDVSNGNE-GOSISDBHSA-N 354.837 4.413 30 40 FIEB C[C@@](C#N)(NC(=O)CNc1ccccc1SCc1ccccc1)C1CC1 22017916 DFWAFPHOQQYALP-NRFANRHFSA-N 365.502 4.199 30 40 FIEB CC1=C(Br)C(=O)C(C(C)C)=C/C1=N\C(=O)c1ccc(C)cc1 26787208 JKKMWTHIMXAEGY-HMMYKYKNSA-N 360.251 4.410 30 40 FIEB CC[C@H]1S/C(=N\N=C\c2cccs2)N(Cc2ccc(OC)cc2)C1=O 33920726 QUHWNMZSBVUDQI-CXDOIHPCSA-N 373.503 4.001 30 40 FIEB COc1cccc(NC(=S)N/N=C2/CCCc3c(C)cc(C)cc32)c1 37094316 BHVFOFNICSYCQE-QOCHGBHMSA-N 353.491 4.339 30 40 FIEB N#CCSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(F)cc1 44087111 DADVCMUSBQXYSS-UHFFFAOYSA-N 354.366 4.202 30 40 FIEB O=C1CN(Cc2ccccc2)[C@@H](c2ccccc2)N1/N=C/c1ccccc1 59435485 MHQZHAPAEPAZNN-DIVQNALZSA-N 355.441 4.064 30 40 FIEB N#Cc1c(N)nc(SCc2ccccc2F)nc1Cc1ccccc1F 223675369 UNXQUJYOSQVIDK-UHFFFAOYSA-N 368.412 4.092 30 40 FIEB CCOC(=O)c1c(/N=C/c2cccc([N+](=O)[O-])c2O)sc2c1CCCC2 2205825 FKCJFWZOOOIQJM-VXLYETTFSA-N 374.418 4.168 30 40 FIEB C=C(C)Cn1c([C@@H]2CC(=O)N(CCc3ccccc3)C2)nc2ccccc21 4911254 UOGHAOWYLPPMDJ-LJQANCHMSA-N 359.473 4.171 30 40 FIEB N#Cc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)cc1 7784572 GDDMRYBFGJXNEV-NRFANRHFSA-N 369.380 4.058 30 40 FIEB COc1ccc(Br)cc1/C=N/NCc1ccc(Cl)cc1 10119013 ZEERESCDZHQLBM-VXLYETTFSA-N 353.647 4.235 30 40 FIEB C=CCOc1ccc(/C=C/C(=O)OCC(=O)NC2CCCCCCC2)cc1 12869379 GNYYMSPMLCCHOW-NTCAYCPXSA-N 371.477 4.037 30 40 FIEB COc1cc(/C=N\O)cc(Br)c1OCc1cccc(Cl)c1 15987986 YNYSTURMCZSFIZ-LSCVHKIXSA-N 370.630 4.498 30 40 FIEB CSc1nc2n(n1)[C@H](c1ccc(C(C)C)cc1)C1=C(C[C@@H](C)CC1=O)N2 22608305 MGRYTLQSOSLCKL-KZULUSFZSA-N 368.506 4.391 30 40 FIEB C#CCOc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2cccc(F)c2)cc1 40266430 QJAMHPFBSFJLGX-SFHVURJKSA-N 361.376 4.147 30 40 FIEB C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(=O)c2ccccc2o1 65453417 HIGYARYENLDYAF-ZDUSSCGKSA-N 364.426 4.297 30 40 FIEB COc1cccc(/C=N/c2ccc(NC(=O)c3ccco3)c(C)c2)c1O 102422488 VABNQZWXEKBORB-CIAFOILYSA-N 350.374 4.305 30 40 FIEB Cc1sc(-n2c(C)cc(/C=C3/SC(=O)N(C)C3=O)c2C)c(C#N)c1C 1096885 WLVXASMPQCTMJL-VIZOYTHASA-N 371.487 4.310 30 40 FIEB C/C(=N\NC(=S)Nc1cc(C)ccc1C)c1ccc(-n2ccnc2)cc1 4864527 FKJYXBHLVBOTIM-XQNSMLJCSA-N 363.490 4.200 30 40 FIEB Cc1cc(C)c(C#N)c(S[C@@H](C)C(=O)N[C@H]2CCCc3ccccc32)n1 5642986 KLLKFJWCALEYEY-KXBFYZLASA-N 365.502 4.245 30 40 FIEB NC1=C(c2nc3ccccc3s2)C(=O)CN1c1cccc2ccccc12 6585187 OZEOVUYNJPFULF-UHFFFAOYSA-N 357.438 4.166 30 40 FIEB N#Cc1cccc(S(=O)(=O)N(Cc2cccs2)Cc2cccs2)c1 7689011 FKXRRBAOEDUWOR-UHFFFAOYSA-N 374.512 4.072 30 40 FIEB CCC1=C(c2ccc(OC)cc2)[C@@](O)(c2ccc(OC)cc2)[C@H](CC)C1=O 9028070 FHGFLKNXDCJWSQ-NFBKMPQASA-N 366.457 4.364 30 40 FIEB CCOc1c(/C=C2/S/C(=N/c3ccccc3)N(C)C2=O)cccc1OC 12465158 XMNUTFIDJPVZCJ-NLIDQGKYSA-N 368.458 4.328 30 40 FIEB C=CCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)CCC 13692662 QQCDZUDWTPOYSY-UHFFFAOYSA-N 374.506 4.171 30 40 FIEB C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccc1Cl 17180192 QYJADXFXGLZOCY-GOSISDBHSA-N 367.832 4.413 30 40 FIEB Nc1cc(N)cc(C(=O)Nc2ccc(/C=C/C(=O)c3cccs3)cc2)c1 21002038 LVQBZBOQVXWPSG-VMPITWQZSA-N 363.442 4.061 30 40 FIEB O/N=C1/c2ccccc2-c2nnc(-c3ccc(Br)cc3)cc21 100912295 CCZHGEIXGDDLPX-FXBPSFAMSA-N 352.191 4.113 30 40 FIEB C=C(C)C/N=c1/scc(-c2cccs2)n1/N=C/c1ccc(O)c(O)c1 103458279 VDGSZMLEWDPLFS-KFAUUUOZSA-N 371.487 4.048 30 40 FIEB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=N/Nc3ncccc3[N+](=O)[O-])cc21 208183179 OGNUQJODJXEZSZ-LNOXHEFASA-N 353.426 4.158 30 40 FIEB COc1ccc2cc([C@H](C)C(=O)N(C)Cc3cccc(C#N)c3)ccc2c1 32796578 MQXGLOXVFOXSTN-INIZCTEOSA-N 358.441 4.482 30 40 FIEB Oc1ccc(Cl)cc1/N=C/c1cccc(I)c1O 3084997 OMHBEPKOZAIHHD-FRKPEAEDSA-N 373.577 4.106 30 40 FIEB O=C(O)COc1c(Cl)cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc1Cl 409070306 ZVBKBVSEGRJTEQ-CNHKJKLMSA-N 369.160 4.116 30 40 FIEB N#Cc1ccccc1CN(c1ccccc1)S(=O)(=O)c1ccccc1F 12976002 BJHXXMPUKDJDQC-UHFFFAOYSA-N 366.417 4.093 30 40 FIEB Oc1ccc(Br)cc1/C=N/N=C1/C[C@@H](c2ccccc2)N=N1 13563790 IUTUYKAZMWANOF-NVZAWQASSA-N 357.211 4.484 30 40 FIEB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N(C)C1(C#N)CCCCC1 14197940 AVRDNYDCVCTITQ-LBPRGKRZSA-N 355.265 4.446 30 40 FIEB O=C1N/C(=N/c2ccccc2)S/C1=C/c1ccccc1Br 4577545 RZQWKYBDRBUKRD-GXDHUFHOSA-N 359.248 4.341 30 40 FIEB N#Cc1ccc(-c2ccc(OCC(=O)c3ccc4c(c3)OCCO4)cc2)cc1 5406557 TWLGLDATOCDWJF-UHFFFAOYSA-N 371.392 4.258 30 40 FIEB COc1cccc(/C=C2\S/C(=N/c3cccc(O)c3)N=C2O)c1OC 6848484 YLEZYBHYJRXRPG-DHDCSXOGSA-N 356.403 4.141 30 40 FIEB O=C(O)c1ccc(-n2cccc2/C=N\c2ccc(Cl)c(C(=O)O)c2)cc1 408930648 ABKLDZYLFGJRMK-NHDPSOOVSA-N 368.776 4.278 30 40 FIEB COc1cc(-c2c(C#N)c(N)nc3c2CCCC3)ccc1OCC(C)C 33474703 KUHKGTKSPFEYJC-UHFFFAOYSA-N 351.450 4.125 30 40 FIEB CC1=C[C@H](OC(=O)c2ccccc2)[C@H](C(C)C)[C@H](O)C[C@]2(C)O[C@@H]2CC1 1543357007 LJBSCFGBDJEORR-BEZXDORVSA-N 358.478 4.133 30 40 FIEB Oc1ccc(/C=N\N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 19682404 BFZLXIJBXOGTLL-UQQQWYQISA-N 369.468 4.114 30 40 FIEB C=C1[C@@H](NC)CC[C@]23C[C@@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13 118930061 KTASKRCJBXZGMH-YNDKSSFISA-N 371.565 4.103 30 40 FIEB biogenic O/C(=N\c1nc(CN2CCc3ccccc3C2)cs1)c1cccs1 21681320 SKUJZUNAVGLLDM-UHFFFAOYSA-N 355.488 4.399 30 40 FIEB Cc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccccc2)cc1 1438439 SBWSBNGIVNGVMG-IBGZPJMESA-N 359.381 4.371 30 40 FIEB Cc1ccc([N+](=O)[O-])cc1/N=C(/c1cccc([N+](=O)[O-])c1)N1CCCCC1 4719821 FYEJGKYCXWAROV-VXPUYCOJSA-N 368.393 4.376 30 40 FIEB Cc1sc(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)c(C#N)c1-c1ccccc1 6184275 MWRWKYCNJYRWIB-LSDHHAIUSA-N 368.458 4.425 30 40 FIEB COc1cccc(-c2nnc(SCCCC#N)n2-c2ccccc2)c1 6787352 DOVWQZKJVSSGTG-UHFFFAOYSA-N 350.447 4.339 30 40 FIEB Cc1cc(C(=O)COc2ccc(C#N)cc2Cl)c(C)n1-c1nccs1 7857094 KWFIKCJAMZTJAA-UHFFFAOYSA-N 371.849 4.337 30 40 FIEB Cn1c([C@H](C#N)C(=O)/C=C/c2cccc(C(F)(F)F)c2)nc2ccccc21 12603316 QPNBWJGTQQRSQE-BOLDSZDNSA-N 369.346 4.482 30 40 FIEB COc1ccc(/C=C2\CCC/C(=C\c3ccc(OCCO)cc3)C2=O)cc1 19075570 LOJOXEMVURTKSR-MXWIWYRXSA-N 364.441 4.286 30 40 FIEB C=CCc1cc(C(=O)N[C@@H](C)c2ccc(F)cc2F)cc(OC)c1OC 24474652 KUSMPWDHHIEIKU-LBPRGKRZSA-N 361.388 4.202 30 40 FIEB COc1cc(O)c(CC=C(C)C)c(O)c1C(=O)/C=C\c1ccc(O)cc1 28539354 ORXQGKIUCDPEAJ-XFFZJAGNSA-N 354.402 4.217 30 40 FIEB biogenic,in-vitro C=CCn1cnnc1SCC(=O)c1ccc(Oc2ccccc2)cc1 31617290 GCIGXDFMCNCWBX-UHFFFAOYSA-N 351.431 4.231 30 40 FIEB O=C1C(=Cc2cc(Br)c(N3CCCC3)o2)C(=O)c2ccccc21 59250412 VKRSUOODODDMFP-UHFFFAOYSA-N 372.218 4.105 30 40 FIEB CCCCCC(=O)Nc1nnc(C(F)(F)C(F)(F)C(F)(F)F)s1 59387015 SMBQBHJBRVKTSA-UHFFFAOYSA-N 367.290 4.346 30 40 FIEB C[C@H]1c2cc3c(cc2CCN1C/C(O)=N/c1ccccc1)OCCCO3 82059207 NZKAQZURXRPUQX-HNNXBMFYSA-N 352.434 4.055 30 40 FIEB biogenic Cc1cccc(CSc2nc(N)c(C#N)c(Cc3ccccc3F)n2)c1 223675710 QLAMMOSMCBJFKU-UHFFFAOYSA-N 364.449 4.261 30 40 FIEB CCc1ccc(/C=C2\SC(=NC(=O)c3ccc(Cl)cc3)NC2=O)cc1 409122940 CYIZNYHIYCUTDL-WJDWOHSUSA-N 370.861 4.303 30 40 FIEB CCN(C(=O)COc1ccc(C#N)cc1OC)c1cccc2ccccc12 3374770 ADTZWSUDMBHLAH-UHFFFAOYSA-N 360.413 4.152 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2cccs2)C[C@@H]1c1cccc(OC)c1 4918867 AWRCGTJTUWYUEF-VQIMIIECSA-N 356.443 4.076 30 40 FIEB C=CCN(C(=O)Cc1ccc(OC)c(OC)c1)c1nc2ccccc2s1 8750572 NZVCZTDDTLBNPB-UHFFFAOYSA-N 368.458 4.075 30 40 FIEB N#Cc1ccc(COCC2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1 75156590 JONNIOCSWROKHB-ZHACJKMWSA-N 360.457 4.027 30 40 FIEB C#CCn1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)c2ccccc21 408530032 KELFSNBISLXFMY-UYRXBGFRSA-N 357.438 4.166 30 40 FIEB C#CCOc1ccc(CNc2ccc(Br)cc2C)cc1OC 408606397 IPQPOSXPNQCQFX-UHFFFAOYSA-N 360.251 4.390 30 40 FIEB COc1ccc2ccc(OC)c(/C=N\Nc3ccc([N+](=O)[O-])cc3)c2c1 409008587 YHQIWKALNVQECK-NDENLUEZSA-N 351.362 4.211 30 40 FIEB CCc1cccc(C)c1NC(=O)/C=C/c1ccc(OCC#N)c(OC)c1 6653724 OOZNIAXADDNVKT-PKNBQFBNSA-N 350.418 4.120 30 40 FIEB CCOC(=O)CS[C@H]1c2ccccc2Nc2c1cnc(Cl)c2C#N 1300757 UWHCBCCXQULVSF-INIZCTEOSA-N 359.838 4.049 30 40 FIEB COc1ccc(CCC(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1 12546143 YVFXOSBFNDCCME-UHFFFAOYSA-N 356.425 4.061 30 40 FIEB C=CCc1cc(/C=N/c2ccc(CC)cc2)cc(OC)c1OCC(=O)O 408859011 VASQXQBEDBKXFS-LPYMAVHISA-N 353.418 4.200 30 40 FIEB COc1cccc(/N=C\c2ccc(OCC(=O)Nc3ccccc3)cc2)c1 408819018 ZNEGEMPKBUPEQI-HAHDFKILSA-N 360.413 4.463 30 40 FIEB C=C(C)COc1cccc(C(=O)Nc2ccccc2C(=O)N[C@H](C)CC)c1 219780980 NWXZWMHJZWXVRT-MRXNPFEDSA-N 366.461 4.422 30 40 FIEB C=CCN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224946955 GJYINXAECMFQNE-UHFFFAOYSA-N 351.855 4.038 30 40 FIEB Cc1ccc(CSc2nc(N)c(C#N)c(Cc3cccc(F)c3)n2)cc1 223677668 YURDRXREGKMINB-UHFFFAOYSA-N 364.449 4.261 30 40 FIEB CCc1nc(C2(/N=C(/O)[C@H]3CCc4cc(C)ccc4O3)CCCC2)no1 330021874 YOXSQYKUVOQXFB-MRXNPFEDSA-N 355.438 4.060 30 40 FIEB CC1(C)OB(c2cc(Cl)c(OCc3ccccc3)cc2F)OC1(C)C 642814708 SCPCOELSVBVZDZ-UHFFFAOYSA-N 362.637 4.357 30 40 FIEB C#CCN1C(=O)S/C(=C\c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C1=O 15012791 ACWGBWGYALBQFV-UNOMPAQXSA-N 364.470 4.380 30 40 FIEB COc1ccc(C2=C(Cl)c3cc(OC)c(OC)cc3C2=O)cc1OC 1648768 SPXFXYOHHGCBHY-UHFFFAOYSA-N 360.793 4.024 30 40 FIEB CCOc1ccccc1[C@@H](O)[C@H](C#N)Sc1nc2ccccc2s1 4943976 WVMUWPXNOOIZBT-DLBZAZTESA-N 356.472 4.413 30 40 FIEB CCOC(=O)C1=C(O)c2ccccc2C(=O)/C1=C\c1ccc(Cl)cc1 5790921 XALGXMSLIFOLNZ-WJDWOHSUSA-N 354.789 4.452 30 40 FIEB Cc1ccc(-n2ncc3c(Nc4cccc(C#N)c4)ncnc32)cc1Cl 10253781 NYNCNZDISSGNPU-UHFFFAOYSA-N 360.808 4.393 30 40 FIEB Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3cccc(C#N)c3)c12 12228749 FCFHGEBOHICTCQ-UHFFFAOYSA-N 354.369 4.322 30 40 FIEB C=CCC1(CC=C)CCN1C(=O)Cc1c(C)oc2c1C(=O)CC(C)(C)C2 12290579 UHGPITPMZVALJP-UHFFFAOYSA-N 355.478 4.409 30 40 FIEB CCSc1nc2n(n1)[C@H](c1cccc(Cl)c1)C1=C(C[C@@H](C)CC1=O)N2 22608537 PEJSUKLRKQHZPS-QLJPJBMISA-N 374.897 4.312 30 40 FIEB C#CCOc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2ccc(OC)cc2)cc1 36360258 MRGACIGFGADFFG-LJQANCHMSA-N 373.412 4.017 30 40 FIEB N#Cc1ccc(N2CC[C@H](SC3=Nc4ccccc4CS3)C2=O)cc1 70036790 OQNIFNHRGAJYIB-KRWDZBQOSA-N 365.483 4.331 30 40 FIEB C/N=C1/S/C(=C/c2ccc(-c3ccc(OC)c(Cl)c3)o2)C(=O)N1C 96190222 IBQNTGSEBYYRPZ-NGCQHBKASA-N 362.838 4.141 30 40 FIEB C=CCOc1ccc2c(c1)CC=C1[C@@H]2CC[C@@]2(C)C(=N\O)/C(=N\O)C[C@@H]12 104053065 LHJLDYOKYNLKHZ-LYXJJLQDSA-N 352.434 4.298 30 40 FIEB Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C\c2ccccc2O)cc1 104094076 KZKLXKQVYFMVMX-STZFKDTASA-N 366.442 4.252 30 40 FIEB CN1/C(=C\C=C2/C(=O)c3ccccc3O[C@@H]2N(C)C)Sc2ccccc21 104584599 STBSXUPLISFXRP-UISPKOQMSA-N 364.470 4.159 30 40 FIEB Cc1ccccc1OCc1nnc(SCC#N)n1-c1cccc(Cl)c1 4126431 YAZNZTQGBAKDOL-UHFFFAOYSA-N 370.865 4.424 30 40 FIEB COc1cc(/C(C)=N/Nc2ccc3ccccc3n2)cc(OC)c1OC 5694471 XCHATABBALGRPS-LPYMAVHISA-N 351.406 4.097 30 40 FIEB C=CCOc1ccc(/C=C2\S/C(=N\c3ccc(OC)cc3)NC2=O)cc1 7275641 DZBIPZDPSGPJBO-AQTBWJFISA-N 366.442 4.152 30 40 FIEB CCN1C(=O)/C(=C/c2ccccc2)S/C1=N/c1ccc(C(=O)O)cc1 8654237 BRXYFLCMENZGEC-MIMOMMJQSA-N 352.415 4.009 30 40 FIEB Cc1cc(C)c(C#N)c(SCC(=O)N2CCC[C@H]2c2cccs2)n1 9315798 BFHVDBSTXPNCGC-HNNXBMFYSA-N 357.504 4.087 30 40 FIEB C=CCOc1ccccc1Oc1ccc2nnc(-c3ccc(OC)cc3)n2n1 12409558 GRIVDQZRYRIMGJ-UHFFFAOYSA-N 374.400 4.157 30 40 FIEB CC1CCN(CN2C(=O)/C(=N\c3cccc(Cl)c3)c3ccccc32)CC1 34854380 FRAWPHVBYAUTLD-ATJXCDBQSA-N 367.880 4.497 30 40 FIEB O=C1/C(=C/c2ccc(OC(F)F)cc2OC(F)F)Cc2c(O)cccc21 40024490 ZKPJGJKDHQCXLU-UXBLZVDNSA-N 368.282 4.417 30 40 FIEB Cc1ccc2c(c1C)N(CCCOc1ccc3ccccc3c1)C(=O)/C2=N\O 46084646 BKQYKEDZLOVPDY-FLFQWRMESA-N 374.440 4.451 30 40 FIEB O=C(Nc1cccc(C#Cc2cccs2)c1)N(C[C@H]1CCOC1)C1CC1 48301559 RDZYBSNIKOKUMJ-QGZVFWFLSA-N 366.486 4.181 30 40 FIEB CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 95681691 IWJCXMJWFQQWED-UHFFFAOYSA-N 362.085 4.314 30 40 FIEB N#Cc1c(OCc2cccc3ccccc23)nn(Cc2ccccc2)c1N 225839112 AJSMCSLYPYWVIG-UHFFFAOYSA-N 354.413 4.117 30 40 FIEB C#CCOc1c(Cl)cc(CNc2cccc(C(=O)O)c2)cc1Cl 408613983 XCLVBPSUSUMRDE-UHFFFAOYSA-N 350.201 4.316 30 40 FIEB CC[C@H](Cc1ccccc1)C(=O)N[C@@H](C#N)c1cccc(Br)c1 535015728 ONZZARSBQCPLCE-QAPCUYQASA-N 371.278 4.399 30 40 FIEB CC(C)[C@H]1CC[C@H](C)C2=C1N[C@@H](c1ccccc1)C(C#N)(C#N)C2(C#N)C#N 4811426 CNUAJBSOIJZAHJ-CDXJDZJCSA-N 369.472 4.354 30 40 FIEB N#Cc1c(COC(=O)c2c3c(nc4ccccc24)CCC3)cn2ccccc12 32682319 JWSBJZYBHTWXIO-UHFFFAOYSA-N 367.408 4.205 30 40 FIEB C=CCn1cnn(CN2CCc3sccc3[C@H]2c2cccs2)c1=S 23855682 MOJBMANFKOTBOI-INIZCTEOSA-N 374.560 4.328 30 40 FIEB Cc1c(NCC2(c3cccc(F)c3)CCOCC2)cc(C#N)cc1[N+](=O)[O-] 54981764 ZRZCRCMHJYQSAM-UHFFFAOYSA-N 369.396 4.074 30 40 FIEB Cc1ccc(C)c(/N=C2\S/C(=C/c3ccc(C(=O)O)cc3)C(=O)N2C)c1 4660323 IJXFZTGEUODQMA-OUYOUGTCSA-N 366.442 4.235 30 40 FIEB C/C(=N\Nc1ccccc1Cl)c1ccc(OCC(=O)N2CCCC2)cc1 6674193 MEWRQZJMIOKYQZ-PXLXIMEGSA-N 371.868 4.177 30 40 FIEB C#CCSc1nnc(-c2csc(-c3ccc(Cl)cc3)n2)n1CC 5912061 UKRPVBYZTJRKKE-UHFFFAOYSA-N 360.895 4.467 30 40 FIEB N#Cc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2cc(F)ccc2F)cc1 40285155 AGYVOLGCQRKVHI-CQSZACIVSA-N 350.328 4.146 30 40 FIEB CCCOc1ccc(/C=N/Nc2ccc(Cl)c(C(=O)O)c2)cc1OC 13338522 URMMKFDZEOZYLC-RGVLZGJSSA-N 362.813 4.282 30 40 FIEB CC(C)N(C(=O)CO/N=C/c1ccccc1OC(F)F)c1ccccc1 5348992 AEQSEYJXDXESFY-WSDLNYQXSA-N 362.376 4.080 30 40 FIEB N#Cc1ccc(C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)cc1 3511722 RBNBDRXMVMKCLR-UHFFFAOYSA-N 355.349 4.175 30 40 FIEB Cc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1ccccc1 9329542 RQPISYZBHZZSAV-IIBYNOLFSA-N 356.429 4.002 30 40 FIEB Cc1nc(-c2ccc(N[C@H](C)C(=O)Nc3ccccc3C#N)cc2)cs1 12563980 BSEGMYMLSYLKQQ-CYBMUJFWSA-N 362.458 4.429 30 40 FIEB COc1ccccc1/C=C/C=N/N1CCN(Cc2ccccc2Cl)CC1 19848777 BTWGXXKULYPJSW-HJEIRYQDSA-N 369.896 4.165 30 40 FIEB COc1ccc(/C=N/Nc2nc(-c3ccccc3)c(NC(C)=O)s2)cc1 35681846 QQIRPAMMYHCMTO-UDWIEESQSA-N 366.446 4.223 30 40 FIEB CC(=O)C1=C(C)OC(C)=C[C@]12Nc1cc(C)c(C)c(Br)c1O2 40546250 FSPDMWXSPGYZCO-QGZVFWFLSA-N 364.239 4.364 30 40 FIEB Oc1ccccc1/C=N/N=C/c1ccc(/C=N/N=C/c2ccccc2O)cc1 1828193 BBCLKQXZKKYJPJ-HWWGJKEPSA-N 370.412 4.004 30 40 FIEB CCCC[C@H]1S/C(=N\N=C\c2ccco2)N(Cc2ccccc2)C1=O 2318664 XBKHCMRDLYHWMG-VGCKYNLESA-N 355.463 4.304 30 40 FIEB COc1cc(/C=N/c2ccc(N3CCCCC3)cc2)cc(OC)c1OC 3233348 ZMHXXZYJZNQRRH-PXLXIMEGSA-N 354.450 4.453 30 40 FIEB CCCOc1ccc(/C=C/C(=O)c2cc(OC)c(OC)c(OC)c2)cc1 6626335 UDVQOYWYYKBATR-DHZHZOJOSA-N 356.418 4.397 30 40 FIEB CCN1C(=O)/C(=N\Nc2ccnc3cc(Cl)ccc23)c2ccccc21 6830888 DNYQSFRYDDJIRJ-NKFKGCMQSA-N 350.809 4.071 30 40 FIEB Cc1cc(S[C@H](C)C(=O)N(CCC#N)c2ccccc2)nc(C(C)C)n1 16454235 ZUJIPVIEWSRQMA-MRXNPFEDSA-N 368.506 4.336 30 40 FIEB CCOc1ccccc1O[C@@H]1CCC[C@H]1Nc1snc(Cl)c1C#N 75148725 LXNUOAWBGVZVCN-CHWSQXEVSA-N 363.870 4.479 30 40 FIEB CC(C)=C1c2cc([N+](=O)[O-])cc(C#N)c2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-] 102415218 HPERTYRKTQHRBK-UHFFFAOYSA-N 366.289 4.105 30 40 FIEB C[C@H]1CCc2c(sc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)c2C#N)C1 4079353 GLEAADPQCDYVAZ-JTQLQIEISA-N 356.407 4.297 30 40 FIEB C=CCn1c(-c2cccc([N+](=O)[O-])c2)cs/c1=N\c1ccc(O)cc1 4924937 PVAPTDMGWHFMTQ-HNENSFHCSA-N 353.403 4.249 30 40 FIEB Cc1ccccc1/N=C1/NC(=O)/C(=C\c2ccc(Br)o2)S1 5376706 AWMKSLNIMHGEOO-XYOKQWHBSA-N 363.236 4.242 30 40 FIEB C/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc(C(C)(C)C)ccc1O 5480196 YSNVVCQWRRYULN-YBFXNURJSA-N 372.381 4.342 30 40 FIEB CCc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)c2ccc(Cl)cc2)cc1 6053085 RYVTZMRDVSNGNE-SFHVURJKSA-N 354.837 4.413 30 40 FIEB CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccccc1C#N 7362124 GNUUJKPIMLIOJJ-UHFFFAOYSA-N 361.367 4.038 30 40 FIEB N#CCSc1ccccc1NC(=O)CN1CC=C(c2ccccc2)CC1 7650976 UPQCUBMVIZARRA-UHFFFAOYSA-N 363.486 4.030 30 40 FIEB C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccccc3F)cc21 8959562 XEEOQFSWHVGQCJ-UHFFFAOYSA-N 368.408 4.016 30 40 FIEB C=CCOc1ccc(CNc2n[nH]c3nc(C)cc(C(F)(F)F)c23)cc1 12115919 CVQHCUBAZVGSPH-UHFFFAOYSA-N 362.355 4.462 30 40 FIEB Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)N2CCCCCC2)n1 12526791 RJCSJVKYIYBPTN-GFCCVEGCSA-N 371.428 4.164 30 40 FIEB N#Cc1ccc(SCC(=O)NCC2(Sc3ccccc3)CC2)cc1 68214034 SCQPZZGCGLMMAK-UHFFFAOYSA-N 354.500 4.091 30 40 FIEB Cc1ccccc1-n1c(N/N=C/c2cccc(F)c2)nc2ccccc2c1=O 95115989 JJAYFLUGQSJSBZ-ZVHZXABRSA-N 372.403 4.279 30 40 FIEB CCn1c(N/N=C/c2ccc(-c3cccc(C(=O)O)c3)o2)nc2ccccc21 408692092 DEBGUOZQJUKPRH-LPYMAVHISA-N 374.400 4.460 30 40 FIEB N#Cc1cc(N2CCC(N3CCc4sccc4C3)CC2)nc2ccccc12 1775970617 GXYCWPXMSIPOJR-UHFFFAOYSA-N 374.513 4.195 30 40 FIEB O=S(=O)(Nc1ccc(F)cc1)c1ccc(/N=C/c2ccccc2O)cc1 672415 RZICSKIAYKYEBB-FYJGNVAPSA-N 370.405 4.083 30 40 FIEB Cc1csc([C@@H](C#N)C(=O)CSc2cc(C)c3ccccc3n2)n1 6610603 DUEJRAUOAIFHHY-AWEZNQCLSA-N 353.472 4.277 30 40 FIEB N#CCc1c(C#N)c(N)nc(Nc2cccc(Oc3ccccc3)c2)c1C#N 25540490 KXSWZVRUQKPSND-UHFFFAOYSA-N 366.384 4.009 30 40 FIEB CCc1c(C)sc(NS(=O)(=O)c2ccc3ccccc3c2)c1C#N 27922575 BSMIUPZRJJDEJR-UHFFFAOYSA-N 356.472 4.445 30 40 FIEB FC(F)(F)C[C@@](F)(I)C(F)(F)C(F)(F)F 103528145 NBXGMSYIYNBMKV-UWTATZPHSA-N 359.957 4.237 30 40 FIEB COC(=O)c1ccc(-c2ccc(/C=N/c3ccc(C(=O)O)cc3)o2)c(C)c1 408915519 WVFFNOKKDSNTKO-WSDLNYQXSA-N 363.369 4.490 30 40 FIEB CN(CCC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1ccccc1 2623282 OZJLCASOWAVAMW-UHFFFAOYSA-N 367.518 4.349 30 40 FIEB CCOC(=O)/C(=C\n1c(=S)[nH]c2cc(C)ccc21)C(=O)c1ccccc1 5734057 TXSXNVQWEVIBNN-QINSGFPZSA-N 366.442 4.294 30 40 FIEB Cc1nn(-c2ccccc2)c(C)c1[C@@H](C#N)N1CCC(c2ccccc2)=N1 9224903 NCXYMSAEYLNBDN-OAQYLSRUSA-N 355.445 4.164 30 40 FIEB COc1cc(OC)c(C(=O)/C=C/c2ccc3c(c2)OCCO3)cc1Cl 13004930 TXTBEWYYOSVOEE-HWKANZROSA-N 360.793 4.025 30 40 FIEB C=CCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc2ccccc12 13685444 XESYRUKEJHJDCN-INIZCTEOSA-N 374.440 4.162 30 40 FIEB C=CCNC(=O)c1ccccc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 15609208 PYZRTQHUNJXCLH-UHFFFAOYSA-N 372.852 4.052 30 40 FIEB C(=N\N1CCN(/N=C/c2ccccc2)C1c1ccccc1)\c1ccccc1 17994542 YQHOSSJYRQMLRP-ZFQRDYFNSA-N 354.457 4.371 30 40 FIEB COc1ccccc1[C@H]1CC(O)=Nc2sc3c(C)c(C#N)c(N)nc3c21 20029531 MRLDZKPHSXTYGP-LLVKDONJSA-N 364.430 4.191 30 40 FIEB COc1ccc(/C=C/C(=O)c2cnc3sc(C(=O)O)c(C)c3c2)cc1 32933460 KMAPDXFPYWORLP-VMPITWQZSA-N 353.399 4.208 30 40 FIEB CC(C)=N/N=c1\[nH]c2cc(C)c(NC(=O)Cc3ccccc3)c(C)c2s1 72228570 CUMYDAWGLUDWBV-UHFFFAOYSA-N 366.490 4.324 30 40 FIEB Cc1ccc(/N=C\c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1 100138572 TZLYONVZTLLTDU-IWIPYMOSSA-N 358.441 4.441 30 40 FIEB C=CCN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(OC)cc1 224857041 QHUMFIXCPARMIS-UHFFFAOYSA-N 372.273 4.383 30 40 FIEB CCN1C(=O)/C(=C\c2ccc(O)c(OC)c2)S/C1=N/c1ccc(F)cc1 409228487 ZCHWWLAFKMSQPY-WZOFUNJYSA-N 372.421 4.164 30 40 FIEB C=CCn1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)c2ccccc21 409247956 IXDHFQCWIDTCBC-DEDYPNTBSA-N 371.440 4.229 30 40 FIEB Cc1cc(C)cc(OCc2nc(C#N)c(NCCOc3ccccc3)o2)c1 1775975151 FIHQDLQVGRWWKG-UHFFFAOYSA-N 363.417 4.233 30 40 FIEB Cc1ccc2cc(C#N)c(SCC(=O)Nc3nc(C)c(C)s3)nc2c1 4849004 ILTYONRYECAASZ-UHFFFAOYSA-N 368.487 4.219 30 40 FIEB Cc1cc(C)c(C#N)c(N2CCN(Cc3c(C)ccc4ccccc34)CC2)n1 13806487 MVDCIQGGRQMVON-UHFFFAOYSA-N 370.500 4.354 30 40 FIEB CCSc1nc2n(n1)[C@@H](c1ccccc1F)C1=C(CC(C)(C)CC1=O)N2 6677849 YXTGKPWKDKQJIC-INIZCTEOSA-N 372.469 4.187 30 40 FIEB Cc1cc(N2CCOCC2)ccc1/C=N/c1ccc(Br)cc1 409064717 FMCABBRGPICBTJ-DEDYPNTBSA-N 359.267 4.345 30 40 FIEB Ic1ccccc1/N=C\c1ccc(N2CCCC2)o1 408844548 DOYFICINBYLDQV-BOPFTXTBSA-N 366.202 4.235 30 40 FIEB C=CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1ccc(F)cc1 2354310 NSBRIUPZSXQPHA-UHFFFAOYSA-N 371.412 4.384 30 40 FIEB C=CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccco1 6304007 XGIULNOUCTWJIP-UHFFFAOYSA-N 374.853 4.108 30 40 FIEB CCOc1cc(C#N)ccc1O[C@H](C)C(=O)Nc1ccc(F)cc1Cl 6540732 URUFPMAXPWBNKF-LLVKDONJSA-N 362.788 4.155 30 40 FIEB CCCCCCCCCCCNS(=O)(=O)c1ccc(NC(C)=O)cc1 8431098 BBMKVMVBYNKTQN-UHFFFAOYSA-N 368.543 4.454 30 40 FIEB CC1(C)[C@H]2CC[C@]1(C)/C(=N/NS(=O)(=O)c1ccc3ccccc3c1)C2 35511016 PYQPMUPBWNPOPE-KJLSHDELSA-N 356.491 4.320 30 40 FIEB N/C(=N/OCc1cccc2cccnc12)c1ccc(Oc2ccccc2)nc1 95377610 SFHCDOXNUNINBQ-UHFFFAOYSA-N 370.412 4.259 30 40 FIEB Cc1cc(C)n(-c2cccc(NC(=O)c3ccc(Cl)c(C#N)c3)c2)n1 95462477 MHURRLSNNXGYEB-UHFFFAOYSA-N 350.809 4.267 30 40 FIEB N#Cc1c(/N=C/c2ccc(N3CCOCC3)cc2)sc2c1CCCC2 1090012 AJFBDYYEUYNWEL-HYARGMPZSA-N 351.475 4.086 30 40 FIEB CC1(C)CC(=O)C2(OC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2cccs2)C(=O)C1 3077578 LKAGJPVHHCCWHT-SFHVURJKSA-N 372.486 4.202 30 40 FIEB CNC(=S)N/N=C1\c2cc(Cl)ccc2-c2c(Cl)cc(Cl)cc21 8628483 NPKLLGQEHMTCJN-XSFVSMFZSA-N 370.692 4.474 30 40 FIEB Cc1sc2[nH]c([C@H](C)SCc3ccc(C#N)cc3)nc(=O)c2c1C 14084200 QOZNCRYPSHSOHE-LBPRGKRZSA-N 355.488 4.468 30 40 FIEB Cc1c(/N=C\c2c(O)ccc3ccccc23)c(=O)n(-c2ccccc2)n1C 100271054 SFKAWDFUODXKKF-UCQKPKSFSA-N 357.413 4.094 30 40 FIEB Cc1nn2c(N)c(C#N)c(-c3ccc(Cl)cc3)nc2c1-c1ccccc1 101497587 VUIDOZQNVMNQJQ-UHFFFAOYSA-N 359.820 4.479 30 40 FIEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1ccc(O)c(Cl)c1 409107286 RQCKDQISNHWRDJ-FBCYGCLPSA-N 359.691 4.419 30 40 FIEB Cc1ccc(S(=O)(=O)O[C@H]2CCCC[C@H]2c2ccccc2N(C)C)cc1 1715751 VDTSLRSPNDHAKQ-FPOVZHCZSA-N 373.518 4.493 30 40 FIEB CC1(C)Cc2c(sc(NC(=O)/C=C/c3ccccc3)c2C#N)C(C)(C)N1 4281248 JJUGZZHAHNYGLP-ZHACJKMWSA-N 365.502 4.431 30 40 FIEB O=CN(/C=C1\Sc2ccccc2C1=O)c1cccc(Br)c1 4690365 KXJXZKNYELFHKT-DHDCSXOGSA-N 360.232 4.242 30 40 FIEB C[C@H](Oc1ccc(C(=O)/C=C/c2ccccc2C(F)(F)F)cc1)C(=O)O 6628305 FKXUXHFGMHGAJZ-OBIHZWKSSA-N 364.319 4.453 30 40 FIEB C=CCn1c(SCCOc2ccccc2)nnc1-c1ccccc1F 7341892 ZHLXYDWPDGFHAQ-UHFFFAOYSA-N 355.438 4.441 30 40 FIEB C/C(=N/NS(=O)(=O)c1ccc(C)cc1)c1ccc(SC(F)F)cc1 16805982 CBZMIOJIGXVHHF-UNOMPAQXSA-N 370.446 4.012 30 40 FIEB CC1=CC(=O)C(C(C)C)=C/C1=N/OC(=O)c1ccc(Br)cc1 33305249 KNMWSGWYRVNKQE-CYVLTUHYSA-N 362.223 4.073 30 40 FIEB CCc1cc(Br)c2c(c1)N[C@]1(C=C(C)OC(C)=C1C(C)=O)O2 40546390 VENFFKDGEKTMSN-QGZVFWFLSA-N 364.239 4.309 30 40 FIEB C=CCn1/c(=N/C(=O)C(C)(C)C)sc2cc(Br)ccc21 100874356 WEPHFHINSHBTGY-VKAVYKQESA-N 353.285 4.125 30 40 FIEB CN(C)[C@H](CNc1oc(-c2ccc(F)cc2)nc1C#N)c1ccsc1 1775976099 OJCPQFPSHBOHLR-MRXNPFEDSA-N 356.426 4.129 30 40 FIEB Cc1cccc2cc(C#N)c(SCC(=O)N[C@@H]3CCCC[C@H]3C)nc12 933885 OHSHYNXSKYPLEI-CXAGYDPISA-N 353.491 4.202 30 40 FIEB C=CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1ccco1 2391053 UCMRVPSYDVWEPP-UHFFFAOYSA-N 368.462 4.072 30 40 FIEB CCOc1cc(C#N)ccc1O[C@@H](C)C(=O)Nc1ccc(F)cc1Cl 6540728 URUFPMAXPWBNKF-NSHDSACASA-N 362.788 4.155 30 40 FIEB C[C@@H]1CCc2c(sc(NC(=O)CN[C@H](C)c3ccc(F)cc3)c2C#N)C1 12860584 YGYIUUJKYSQVLH-CHWSQXEVSA-N 371.481 4.173 30 40 FIEB CC1(C)CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1ccc(Cl)c(Cl)c1 15083409 ARYUAWVTXLHDIS-OAHLLOKOSA-N 363.248 4.243 30 40 FIEB N#C[C@@H](NCc1cccc(CN[C@H](C#N)c2ccccc2)c1)c1ccccc1 31870883 GDUKSZNPUNHGQE-DNQXCXABSA-N 366.468 4.396 30 40 FIEB COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1/C=C/c1ccccc1 96305898 WKIANXBSGHEOBI-OFAQMXQXSA-N 351.446 4.009 30 40 FIEB COc1ccc(SCCCNC(=S)Nc2ccc(CC#N)cc2)cc1 225802892 KDWZIOXSYIHMLE-UHFFFAOYSA-N 371.531 4.230 30 40 FIEB CC[C@@H]1CCc2c(sc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)c2C#N)C1 674352 RFWBGAFTHAWLDS-GFCCVEGCSA-N 369.446 4.224 30 40 FIEB COc1cc(C#N)ccc1OCC(=O)N(C1CCCCC1)C1CCCCC1 3443651 IXVYLCSQOSEOED-UHFFFAOYSA-N 370.493 4.440 30 40 FIEB CCOC(=O)c1sc(NC(=O)c2ccc(Cl)s2)c(C#N)c1C 5145261 WIIIIRLQNMGMJC-UHFFFAOYSA-N 354.840 4.072 30 40 FIEB C=CCN(Cc1cccc(OC)c1OC)C(=O)c1cc2cc(F)ccc2[nH]1 5347886 SESFXCNHNVETGT-UHFFFAOYSA-N 368.408 4.153 30 40 FIEB COc1ccc([C@@H]2CCCCCN2C(=O)COc2ccccc2C#N)cc1 8231933 MACMXYKODKIMOA-FQEVSTJZSA-N 364.445 4.090 30 40 FIEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H](C)c1cccc(Cl)c1 12894665 OGOLMCGKOJAPQV-LBPRGKRZSA-N 353.809 4.395 30 40 FIEB Fc1cccc(Cl)c1/C=N\N1CCN(c2ccc(Cl)cc2)CC1 16677879 BLRKUAJJYQRREJ-MTJSOVHGSA-N 352.240 4.289 30 40 FIEB CCO[C@H]1Oc2ccc(Cl)cc2C(=O)/C1=C/Nc1ccc(C(C)=O)cc1 16687948 UHDNGZUEAKVLQE-OWMRDYPQSA-N 371.820 4.476 30 40 FIEB C=CCN1C(=O)/C(=C/C=C/c2ccccc2)S/C1=N/c1nccs1 100849171 LUJOCRZLSVTTGB-DYVKDNBCSA-N 353.472 4.489 30 40 FIEB NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103574597 LTTQRUMYWWXCQA-UHFFFAOYSA-N 363.117 4.074 30 40 FIEB Cc1cc(/N=C\c2ccc(OCC(=O)O)c(Cl)c2)cc([N+](=O)[O-])c1C 408845471 FRNYMXAUJVCIRZ-UWVJOHFNSA-N 362.769 4.079 30 40 FIEB CCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)S/C1=N\c1ccccc1 408914148 VSUHITSQKVMDAW-KDWIEBRMSA-N 366.442 4.429 30 40 FIEB CN(C)c1ccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1 409408841 ZODVXVXCAGSHMO-UHFFFAOYSA-N 368.440 4.012 30 40 FIEB COc1cc(/C=N/Nc2ccc(Cl)cc2)cc(Br)c1O 5158811 JFCOLGLHQVEDKL-CAOOACKPSA-N 355.619 4.263 30 40 FIEB O=C(Nc1cccc(C#Cc2cccs2)c1)C1C[C@@H]2CCC[C@H](C1)C2=O 29206787 MSBJXSKPHIENIZ-JWTNVVGKSA-N 363.482 4.482 30 40 FIEB CCOc1ccc(/C=N\OCC(=O)Nc2cccc(C)c2C)cc1OCC 108949481 OYYQQNKJCXBIAQ-XKZIYDEJSA-N 370.449 4.090 30 40 FIEB CCC(=O)[C@@]1(C)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 253636802 QTTRZHGPGKRAFB-SVHXUWJPSA-N 370.533 4.497 30 40 FIEB world Cc1cccc(N=C2NC(=O)/C(=C/c3ccc(N4CCCC4)cc3)S2)c1 408960267 KKXHTPBEXJPJHP-RGEXLXHISA-N 363.486 4.487 30 40 FIEB Cc1cccnc1CN1CCC[C@H]1c1cccc(Nc2ccc(C#N)nc2)n1 585295267 SFJTUJCKLOVAEL-NRFANRHFSA-N 370.460 4.132 30 40 FIEB C=CCSc1nnc2c3c4c(sc3nc(SC)n12)C[C@H](C)CC4 1837459 DLRVCGJAZYQCDZ-SECBINFHSA-N 362.549 4.464 30 40 FIEB CC(=O)C1=C(Nc2ccccc2)C[C@@](C)(O)[C@H](C(C)=O)[C@@H]1c1ccccc1 4794763 FEAUWCGFLYHOEV-DNVJHFABSA-N 363.457 4.085 30 40 FIEB Cc1ccc(/N=C(\S)NC2CCN(Cc3ccccc3)CC2)c(C)c1 8801757 VPKSGECTUGTAMI-UHFFFAOYSA-N 353.535 4.475 30 40 FIEB N#CCSc1nc2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CCC3 9357088 HRDVTAQDULWBJI-UHFFFAOYSA-N 373.890 4.205 30 40 FIEB Cc1oc2nc(S[C@@H](C)C#N)nc(NC(=O)c3ccccc3)c2c1C 12738373 YLFUTQFMNNAZJQ-JTQLQIEISA-N 352.419 4.096 30 40 FIEB O=C1CSC(=S)N1/N=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 33314316 WFDUCQMIZYPTRU-FMQZQXMHSA-N 371.270 4.448 30 40 FIEB C=CCOc1ccc(/C=C2/SC(Nc3ccccc3OC)=NC2=O)cc1 35647662 UOKWAEQXPRGTHN-QGOAFFKASA-N 366.442 4.342 30 40 FIEB Cc1onc(-c2ccccc2)c1C(=O)OCc1cn2ccccc2c1C#N 48300205 OMPIDEWZAOCKRH-UHFFFAOYSA-N 357.369 4.131 30 40 FIEB C=CCc1ccccc1OCCSc1nc2ccccc2n1CC(=O)O 76556382 NLNZZFKBJAHZCG-UHFFFAOYSA-N 368.458 4.021 30 40 FIEB COc1cc(/C=C2/CCOc3ccc(F)cc3C2=O)ccc1OC(F)F 96988701 VKOBJYVGXWMLNW-WQLSENKSSA-N 364.319 4.485 30 40 FIEB Cc1cc(/C=N/c2ccc3c(c2)OCO3)c(C)n1-c1ccc(C(=O)O)cc1 408913506 VGIVQTOPNNFEDR-SSDVNMTOSA-N 362.385 4.272 30 40 FIEB C#CCOc1ccc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)cc1OC 409110540 DURZBHZQQVNYBX-UYRXBGFRSA-N 361.441 4.250 30 40 FIEB O=C(/C=C/c1ccccc1)c1cc2cc(Br)ccc2oc1=O 3911114 HMEIKRHCVLVHEA-SOFGYWHQSA-N 355.187 4.452 30 40 FIEB biogenic CCOC(=O)[C@H]1C(=O)C=C(c2cccs2)C[C@@H]1c1ccc(OCC)cc1 4119638 JVRJRDKBIZRHET-YLJYHZDGSA-N 370.470 4.466 30 40 FIEB Cc1ccc2cc(C#N)c(SCC(=O)NCc3ccccc3)nc2c1C 4849074 PKGWZILFPWOYJE-UHFFFAOYSA-N 361.470 4.132 30 40 FIEB C/C(=N\Nc1ncc(C(F)(F)F)cc1Cl)c1ccc([N+](=O)[O-])cc1 5517034 UXMHMGGNLROTLX-DNTJNYDQSA-N 358.707 4.498 30 40 FIEB CCOc1cc(C(=O)Nc2ccccc2C#N)cc(OCC)c1OCC 5651988 FXSBSWQRUSNLFD-UHFFFAOYSA-N 354.406 4.007 30 40 FIEB Cn1c(N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)nc2ccccc21 7343358 GESQTIRPXSRMQJ-UDWIEESQSA-N 361.361 4.188 30 40 FIEB COc1ccc(C(=O)/C=C/c2ccc(C(=O)O)cc2)cc1Br 7717710 UDRGJFBBEVJYIG-XBXARRHUSA-N 361.191 4.052 30 40 FIEB C=CCc1ccc(OCCN2CCCC[C@H]2c2cccnc2)c(OC)c1 8792538 HGBFDCGNPIAHQI-FQEVSTJZSA-N 352.478 4.425 30 40 FIEB biogenic CC1=CC(C)(C)N2C(=O)/C(=N/Nc3nc4ccccc4[nH]3)c3cc(C)cc1c32 13768848 PUOCAZAGGHEINZ-XIEYBQDHSA-N 371.444 4.230 30 40 FIEB COc1ccc([C@H]2C3=C(CCCC3=O)Nc3cc(OC)cc(OC)c32)cc1 18200476 WAJOBGZJVOUDDJ-FQEVSTJZSA-N 365.429 4.277 30 40 FIEB CCOC(=O)c1c(/N=C\c2ccc(O)c([N+](=O)[O-])c2)sc2c1CCCC2 100210268 ICSGFGVJPAZMRV-GRSHGNNSSA-N 374.418 4.168 30 40 FIEB O=C1C(=O)N(c2ccc(O)cc2)[C@@H](c2ccccc2)/C1=C(/O)c1ccccc1 102623833 PUZNUNAVSUVFIY-LCPUNJGISA-N 371.392 4.019 30 40 FIEB CC/N=C1\S/C(=C/c2ccc(-c3ccc(C#N)cc3)o2)C(=O)N1CC 1097359 NFYKKMGQIUIFRR-SMSCYPBYSA-N 351.431 4.130 30 40 FIEB CCOc1cc(Cl)cc(/C=N/c2ccc([N+](=O)[O-])cc2OC)c1O 6595490 VVCMVTPCGPRLDK-GIJQJNRQSA-N 350.758 4.112 30 40 FIEB CC(C)c1ccc(-n2ccnc2SCC(=O)N[C@](C)(C#N)C(C)C)cc1 8409606 HJVBVRNTITXSPD-HXUWFJFHSA-N 370.522 4.142 30 40 FIEB Cc1ccc(/C=C2/S/C(=N\c3ccccc3C(F)(F)F)NC2=O)o1 8413660 YCQGABVQZGQUHW-MDWZMJQESA-N 352.337 4.498 30 40 FIEB Cc1oc(NC(=O)CN(C)Cc2ccc(Cl)c(Cl)c2)c(C#N)c1C 11759161 UZOLXDBXGBRRFG-UHFFFAOYSA-N 366.248 4.145 30 40 FIEB C#CCN(C(=O)CSc1ccc(OCC)cc1)[C@H]1CCc2ccccc21 32933475 YMIQPCVEBNKFAW-NRFANRHFSA-N 365.498 4.327 30 40 FIEB Cc1cc(/C=N/c2ccc3c(c2)OCO3)c(C)n1-c1cccc(C(=O)O)c1 408913000 JLGHSYBPGIJDBS-SSDVNMTOSA-N 362.385 4.272 30 40 FIEB Brc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)s1 408932694 YQQNIDDLUADQFF-GZTJUZNOSA-N 351.269 4.098 30 40 FIEB C=CCN1C(=O)S/C(=C\c2cc(C)n(-c3cccc(OC)c3)c2C)C1=O 409098521 LYOCOAINGUNNQY-WQRHYEAKSA-N 368.458 4.325 30 40 FIEB COc1ccc2[nH]cc(C3CCN(c4snc(C)c4C#N)CC3)c2c1 587454836 ADQANPDTUXZBNJ-UHFFFAOYSA-N 352.463 4.197 30 40 FIEB O=C(c1ccccc1C(F)(F)F)N1CCS/C1=N\Cc1ccccc1 2635829 CWBWPXAZNDYDIB-XLNRJJMWSA-N 364.392 4.451 30 40 FIEB COc1cc(/C=N/c2sc3c(c2C#N)CCCC3)ccc1OC(C)=O 3045042 KYYPZVHXHQPXLD-SRZZPIQSSA-N 354.431 4.183 30 40 FIEB CCCCCOc1ccc(CN2C(=O)/C(=N\O)c3cccc(C)c32)cc1 101101727 VDJHTHVSZOBYHL-QOCHGBHMSA-N 352.434 4.289 30 40 FIEB N#C/C(=N/Nc1ccc(F)cc1)c1nc(-c2ccc3c(c2)OCO3)cs1 5022713 UGOZFIMETZNUGF-UCQKPKSFSA-N 366.377 4.018 30 40 FIEB O=C1Nc2cc3oc4ccccc4c3cc2/C1=N/Nc1ccc([N+](=O)[O-])cc1 13756569 YFVGONRJBGCOKB-UHFFFAOYSA-N 372.340 4.263 30 40 FIEB COc1cc(CNc2oc(C)nc2C#N)ccc1OCc1ccccc1F 72427752 UPWKAGQTALLULT-UHFFFAOYSA-N 367.380 4.194 30 40 FIEB N#Cc1ccc(N2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)c([N+](=O)[O-])c1 79061759 CJDVWTCLFKADIA-INIZCTEOSA-N 367.796 4.338 30 40 FIEB CCOc1cc(/C=C2/S/C(=N/C)N(C)C2=O)cc(Cl)c1OC(C)C 408929759 NRDREYPCRQGSQX-DJGRXSLVSA-N 368.886 4.058 30 40 FIEB Cc1ccc(-n2c(C)cc(/C=N/Nc3ncccc3[N+](=O)[O-])c2C)cc1C 409103552 AGIWHBZVKZMZME-WSDLNYQXSA-N 363.421 4.460 30 40 FIEB C=CCc1cc(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)ccc1OC 218656970 NSMNJDKZVGPJND-GOSISDBHSA-N 351.446 4.456 30 40 FIEB CCSc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C1=C(C[C@H](C)CC1=O)N2 14165102 CWSDFBWQPZHYFU-QFYYESIMSA-N 374.897 4.312 30 40 FIEB O=C1N/C(=N\N=C\c2ccc(Cl)cc2)S/C1=C\C=C\c1ccccc1 16754390 HNEWXWNBLHJSIM-PCGNAQPYSA-N 367.861 4.490 30 40 FIEB Cc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCCC[C@@H]3C)C2=O)o1 5443284 BCANTTZSWSQVNF-JFENUBAZSA-N 353.418 4.284 30 40 FIEB biogenic C=CCN1C[C@H](c2nc3ccccc3n2Cc2cc(C)ccc2C)CC1=O 4385996 ONSRCAIZXYGMKT-LJQANCHMSA-N 359.473 4.203 30 40 FIEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(Cl)cc1 654781 XDBXAJKKOZZJCE-QGZVFWFLSA-N 365.816 4.081 30 40 FIEB CCCOc1ccc(C(=O)O/N=C(\C)c2ccc(OC)c(OC)c2)cc1 4651781 KQUWFOOIOCRWDR-KGENOOAVSA-N 357.406 4.074 30 40 FIEB COc1cccc(/C=C2/S/C(=N/c3ccc(C)c(C)c3)N(C)C2=O)c1O 12464741 HOWMOEFKOQVMGO-QTFLQNGUSA-N 368.458 4.251 30 40 FIEB CN(Cc1ccc(-c2ccccc2C#N)cc1)C[C@H]1COc2ccccc2O1 12861519 JEQGAWBUOWBXMC-NRFANRHFSA-N 370.452 4.497 30 40 FIEB Cc1c(-c2ccccc2)ccnc1/C=N/NC(=S)NCCc1ccccc1 17062167 YXPKIKCQZXSHSK-PCLIKHOPSA-N 374.513 4.098 30 40 FIEB C=CCOc1ccc(C(=O)NCc2ccc(CN3CCCCC3)cc2)cc1 30568317 GBEUEMWDXPMUDK-UHFFFAOYSA-N 364.489 4.167 30 40 FIEB COc1ccc(/N=C/c2ccc(OCC(=O)O)c(Cl)c2)cc1Cl 59248787 NTULNXKEJBWQPL-UFWORHAWSA-N 354.189 4.216 30 40 FIEB Cc1cccc(C)c1NC(=O)C(=O)/C(=C(/N)c1ccccc1)c1ccccc1 104225972 MFNTZVXYVCDMMG-QZQOTICOSA-N 370.452 4.338 30 40 FIEB C=CCSc1ccccc1C(=O)NCc1cccc(CN2CCCC2)c1 224628211 BNXDMEAPTSYIMF-UHFFFAOYSA-N 366.530 4.491 30 40 FIEB CCc1nnc(S)n1/N=C/c1cc(C)n(-c2c(C)cccc2C)c1C 408859978 WLPJYFWIWBQXIN-RGVLZGJSSA-N 353.495 4.036 30 40 FIEB CCOc1ccccc1/N=C\c1ccc(O)c(I)c1 408904552 LHIYTDJQBBFQQZ-YVLHZVERSA-N 367.186 4.146 30 40 FIEB CCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])o2)S/C1=N\c1c(C)cccc1C 408905670 CBYYVOAWGGTVFE-FKBPFZLZSA-N 371.418 4.429 30 40 FIEB COc1cccc(/C=N/c2ccc(F)c(Cl)c2)c1O[C@H](C)C(=O)O 409242283 QHTYNXUCKUIPQO-KTMXNEEYSA-N 351.761 4.090 30 40 FIEB CO[P@@](=O)(C#Cc1ccccc1)[C@H](O)c1ccc(Br)cc1 1310224 KZALOBXNUSOFOH-KKSFZXQISA-N 365.163 4.374 30 40 FIEB C=CCn1c(SCC(=O)c2ccc(CC)cc2)nc2ccccc2c1=O 3368193 GKCJRNZIJLKXEP-UHFFFAOYSA-N 364.470 4.120 30 40 FIEB CCOc1cc(C#N)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 6541000 NCWSFRXZMHRDNQ-UHFFFAOYSA-N 365.216 4.281 30 40 FIEB COc1cc(CNC(=O)c2ccc(C#N)cc2)ccc1OCc1ccccc1 7648914 OAKIIPGHCDMQGD-UHFFFAOYSA-N 372.424 4.076 30 40 FIEB Cc1cc(N2CCC[C@H](C(F)(F)F)C2)n2c(nc3ccccc32)c1C#N 12540551 NPVACLPLWAJUKV-ZDUSSCGKSA-N 358.367 4.446 30 40 FIEB C=CCOC(=O)c1cc([N+](=O)[O-])cc2nc(-c3ccc(Cl)cc3)oc12 73641905 YBXPAMARXKUJQS-UHFFFAOYSA-N 358.737 4.399 30 40 FIEB C=CC(=O)OCCC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F 95681772 UXVXKXDSDYDRTQ-UHFFFAOYSA-N 368.142 4.209 30 40 FIEB C[C@@H](Sc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccccc1C#N 96010329 KUNVEBCZHXRTIN-SNVBAGLBSA-N 361.810 4.239 30 40 FIEB C=CCn1c(Sc2ccnc(C3CC3)n2)nnc1-c1ccccc1F 110124830 NRFZMAPCXQKEIA-UHFFFAOYSA-N 353.426 4.089 30 40 FIEB COc1ccc(NC(=O)c2cccc(Oc3nccs3)c2)cc1C#N 1132760164 RXRNRJRZYYGDAD-UHFFFAOYSA-N 351.387 4.068 30 40 FIEB C=CCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1c1ccc(CC)cc1 634028 GQHWYUCOWPRLKC-FQEVSTJZSA-N 359.425 4.395 30 40 FIEB C=CCn1c(=S)sc2c(C(=O)OCC)c3c(C)cc(C)cn3c2c1=O 1633781 JCDPWVXIPYTTIT-UHFFFAOYSA-N 374.487 4.025 30 40 FIEB C=CCn1c(SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)nc2ccccc21 5618801 DREOIOYBNGBNFK-UHFFFAOYSA-N 367.474 4.345 30 40 FIEB C[C@@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1cccc(Oc2ccccc2)c1 14607499 LRSNRDALZHUQSJ-LHSJRXKWSA-N 372.428 4.338 30 40 FIEB C=CCn1c(SCc2cccc(F)c2)nc2c([nH]c3ccccc32)c1=O 16890321 YRQOINNQJZXXNT-UHFFFAOYSA-N 365.433 4.495 30 40 FIEB Cc1ccccc1[C@H](OC(=O)[C@H](C)Oc1ccc(C#N)cc1)C(F)(F)F 24929698 JBGZKJJJACTVJP-GUYCJALGSA-N 363.335 4.481 30 40 FIEB Cc1ccc(Cl)cc1-n1ncc2c(Nc3cccc(C#N)c3)ncnc21 28406001 ODMRMBCMTIUSOK-UHFFFAOYSA-N 360.808 4.393 30 40 FIEB COc1ccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)c(C)c1 33475230 ABLIOJCWRBTSIM-BUVRLJJBSA-N 369.424 4.263 30 40 FIEB Cc1cc(Cl)c(O)c(-c2cc(-c3ccccc3O)c(C#N)c(N)n2)c1 35977389 FQOMFKXNNSSZJM-UHFFFAOYSA-N 351.793 4.243 30 40 FIEB C=CCOc1ccc(CN2CCC[C@H](n3nccc3C(F)(F)F)C2)cc1 95995877 SNLPNNDFVCVBLH-INIZCTEOSA-N 365.399 4.304 30 40 FIEB Cc1cc(Cl)ccc1N/N=C1\C(=O)Nc2c1cccc2C(F)(F)F 223742311 UWVJAPFQAKEYJG-UHFFFAOYSA-N 353.731 4.436 30 40 FIEB C=CCNC(=O)C1(Cc2cccc(-c3cccc(F)c3)c2)CCOCC1 257223769 DYTXGFPLCRAMGV-UHFFFAOYSA-N 353.437 4.134 30 40 FIEB CCCc1ccc(C#N)c(SCC(=O)Nc2ccc(OCC)cc2)n1 691383 GXWWMOKXIWYNSH-UHFFFAOYSA-N 355.463 4.035 30 40 FIEB CCOc1ccc(/N=C2\N=C(O)S\C2=C2\C(=O)Nc3ccccc32)cc1 942178 IQMBEXHFGFDTMD-FOCLMDBBSA-N 365.414 4.140 30 40 FIEB COc1ccc(/C=N/Nc2nc(-c3ccccc3O)nc3ccccc23)cc1 4713200 XXRVRFCPWPWQJN-OEAKJJBVSA-N 370.412 4.457 30 40 FIEB COc1cc(/C=N/O)cc(Br)c1OCc1ccccc1Cl 11956536 CNBRSHIGTKVZSE-QGMBQPNBSA-N 370.630 4.498 30 40 FIEB COc1ccccc1[C@@H]1CC(O)=Nc2sc3c(C)c(C#N)c(N)nc3c21 20029530 MRLDZKPHSXTYGP-NSHDSACASA-N 364.430 4.191 30 40 FIEB N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc(-n2cccn2)nc1 95953257 NNVHWLVDFJCVIH-UHFFFAOYSA-N 371.425 4.120 30 40 FIEB CN(C)/C=N/C(=O)[C@H](c1ccccc1)c1ncc(C(F)(F)F)cc1Cl 100256197 JHMDOPCRNYHEHX-LOLZCCBGSA-N 369.774 4.002 30 40 FIEB C=C[C@]1(O)CC[C@@H]2[C@H]3C[C@H]4O[C@@]45C[C@@H](OC(C)=O)CC[C@]5(C)[C@@H]3CC[C@]21C 253498805 RSBPOYAJCVXJON-LJYSHHBMSA-N 374.521 4.009 30 40 FIEB CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C 253618047 MTSLFKWJINJVBO-JVTHYKSUSA-N 358.478 4.019 30 40 FIEB CC(C)COc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1 409031438 AQWRIHBIWPNXQA-HOEBFWFUSA-N 360.273 4.435 30 40 FIEB CCc1nnc(/N=C(\O)CN(C)Cc2ccc(Cl)cc2Cl)s1 24529323 XLHKLOIPFCSJLR-UHFFFAOYSA-N 359.282 4.127 30 40 FIEB Cc1ccn2c(/C=N/OC(=O)C3CC3)c(-c3ccc(Cl)cc3)nc2c1 1402734 AWEXWUNLGVXUPL-SRZZPIQSSA-N 353.809 4.250 30 40 FIEB C=CCc1ccc(OCC(=O)Nc2c(F)cccc2NC2CC2)c(OC)c1 76093158 KJPPFZNMOKAJAL-UHFFFAOYSA-N 370.424 4.155 30 40 FIEB C[C@H]1CCc2c(sc(NC(=O)CN[C@@H](C)c3ccc(F)cc3)c2C#N)C1 12860574 YGYIUUJKYSQVLH-STQMWFEESA-N 371.481 4.173 30 40 FIEB C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C)cn3)c2C)C1=O 409107550 WTXAQRJTFGUXNI-MHWRWJLKSA-N 353.447 4.020 30 40 FIEB COc1cc(/C=C/C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCC#N 6866192 OZQVVJWIIDCGAD-VMPITWQZSA-N 356.809 4.211 30 40 FIEB O=C1NC(=Nc2ccccc2)S/C1=C\c1ccc(N2CCCC2)c(F)c1 409089685 OTAOFOJRCINDPU-AQTBWJFISA-N 367.449 4.318 30 40 FIEB CC/N=C1\S/C(=C\c2ccc(OC(C)C)c(Cl)c2)C(=O)N1CC 408856613 KKBRXIMKWUPGMJ-VUDPKCRPSA-N 352.887 4.439 30 40 FIEB O=[N+]([O-])c1ccc(N/N=C/c2ccc3c4c(cccc24)CC3)c([N+](=O)[O-])c1 408758602 NNRMLIBYXPWCKI-RGVLZGJSSA-N 362.345 4.201 30 40 FIEB C=CCn1c(SCc2cccc(Cl)c2)nnc1-c1cnn(CC)c1 36631376 GTPPBVXSAJJWKZ-UHFFFAOYSA-N 359.886 4.293 30 40 FIEB CCOc1cc(C#N)cc(Br)c1OCc1cccc(F)c1 216826796 MLIYXFZQCLKAQD-UHFFFAOYSA-N 350.187 4.438 30 40 FIEB C=CCOc1ccc(NC(=O)C2CCN(Cc3ccccc3F)CC2)cc1 39762005 RXCQKHMJRDKSQX-UHFFFAOYSA-N 368.452 4.241 30 40 FIEB C#CCOC(=O)c1cc(Cl)c(OCc2ccc(C)cc2)c(OCC)c1 216828940 TXIGHDLPKRWQEP-UHFFFAOYSA-N 358.821 4.416 30 40 FIEB CCOc1ccc(CNC(=S)Nc2ccc(CC#N)cc2)cc1OCC 225527995 AUUREPLUNWMQEA-UHFFFAOYSA-N 369.490 4.037 30 40 FIEB CCOC(=O)[C@@H](C#N)[C@H](c1ccco1)[C@H]1C(=S)Sc2ccccc21 16682115 DFQWBJXAXWCZQR-MAZHCROVSA-N 357.456 4.283 30 40 FIEB COc1cc(NCC(C#N)C#N)ccc1/N=N/c1ccc([N+](=O)[O-])cc1 18102093 HECQUXRJYSHQBR-QURGRASLSA-N 350.338 4.094 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(OC)c2)C[C@H]1c1ccc(F)cc1 4919198 MTMRFZDDSPMDJN-FPOVZHCZSA-N 368.404 4.154 30 40 FIEB CCOc1ccc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)cc1 5953587 GYJQKEOVXRMOIE-RQZCQDPDSA-N 365.183 4.212 30 40 FIEB Cc1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)cc(C)c1Cl 672943 XJISMYLGAVQYSX-UHFFFAOYSA-N 360.866 4.396 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(Nc2cccc(F)c2)C[C@@H]1c1ccccc1 1079997 SYAGWLMWYQBCBM-UYAOXDASSA-N 353.393 4.057 30 40 FIEB Cc1ccc(S(=O)(=O)O[C@@H]2CCCC[C@H]2c2ccccc2N(C)C)cc1 1715752 VDTSLRSPNDHAKQ-PZJWPPBQSA-N 373.518 4.493 30 40 FIEB COc1ccc(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 2746102 YIJQBHPPTAVJLY-UHFFFAOYSA-N 354.475 4.469 30 40 FIEB c1ccc(Nc2nc(NN=C3CCCCC3)nc(N3CCCCC3)n2)cc1 7095773 MFWFOJBBNBFVKC-UHFFFAOYSA-N 365.485 4.338 30 40 FIEB COc1cc(/C=N\Nc2ccccc2)cc(/C=N/Nc2ccccc2)c1O 35191177 SJSJDFNAMYIVOG-OQRYGUKSSA-N 360.417 4.293 30 40 FIEB C#Cc1cccc(NC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)c1 36390846 ZYHWYIAKFJZYDU-UHFFFAOYSA-N 363.848 4.305 30 40 FIEB CSc1nnc(CCCNc2cccc(F)c2C#N)n1C1CCCC1 57877884 XAQJQUPSCAROLU-UHFFFAOYSA-N 359.474 4.171 30 40 FIEB Cc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)S1 59459383 AMALUWQAOWESGD-DHDCSXOGSA-N 373.821 4.448 30 40 FIEB N#Cc1oc2ccccc2c1OCc1cn2cc(Br)ccc2n1 97105217 GALINODFIHRJEC-UHFFFAOYSA-N 368.190 4.294 30 40 FIEB C=C1C[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O 504581413 CKFBRGLGTWAVLG-QASJRYCWSA-N 370.489 4.185 30 40 FIEB biogenic CC(C)C/N=C1/NCCCCCOc2ccccc2Oc2ncccc21 643571264 BKZTYUSSFPRKAE-UHFFFAOYSA-N 353.466 4.429 30 40 FIEB N#Cc1ccc(N2CCC(c3ccc4cc(C5CC5)cnc4n3)CC2)cn1 2087090015 LNDNXGWLYNUJDD-UHFFFAOYSA-N 355.445 4.158 30 40 FIEB COc1ccc([C@H]2C3=C(CCCC3=O)N=C3c4ccccc4C(=O)[C@H]32)cc1 2483881 JANRNVVSRSVHGD-FPOVZHCZSA-N 357.409 4.101 30 40 FIEB N#Cc1ccc(-c2ccc(OCC(=O)NCCc3ccc(F)cc3)cc2)cc1 2644299 PLJMSDQWCDSGMV-UHFFFAOYSA-N 374.415 4.102 30 40 FIEB O=C(/C=C\Sc1nnnn1-c1ccccc1)c1cccc2ccccc12 16523812 UHDLYQKMRNPSFO-YPKPFQOOSA-N 358.426 4.304 30 40 FIEB COc1ccccc1/C=C1\Oc2c(ccc(O)c2CN2CCCCC2)C1=O 22625622 QCKMCZKYWKTMLS-MOSHPQCFSA-N 365.429 4.003 30 40 FIEB biogenic CC(C)(C)c1ccc(Cn2nccc2NC(=O)c2cccc(C#N)c2)cc1 32744838 IEODSCMSBIEZRP-UHFFFAOYSA-N 358.445 4.353 30 40 FIEB CC(=O)[C@@H]1[C@H](c2cccc(Cl)c2)C(C#N)(C#N)[C@H]2C=Cc3ccccc3N12 36006919 QEPNCFQURFZJLJ-QHAWAJNXSA-N 373.843 4.330 30 40 FIEB CC(=O)C1=C(C)OC(C)=C[C@@]12Nc1cc(C)cc(Br)c1O2 40546264 ZAIXFAAVAQECMO-INIZCTEOSA-N 350.212 4.055 30 40 FIEB C#CCOC(=O)/C=C/c1ccc(OCc2ccc(F)cc2Cl)c(OC)c1 226336699 GJWNVZHNZQMIJM-WEVVVXLNSA-N 374.795 4.256 30 40 FIEB CC/N=C1\S/C(=C\c2ccc(O[C@@H](C)CC)c(OC)c2)C(=O)N1CC 408847407 VDYMRRODNMVBLB-GEUXEYBCSA-N 362.495 4.185 30 40 FIEB COc1cc(OC)c([N+](=O)[O-])cc1/C=N\Nc1ccc(C(F)(F)F)cc1 408934095 LFGZCLSCSWEOBM-UKWGHVSLSA-N 369.299 4.077 30 40 FIEB Cc1cccc(NC(=O)c2sc(NC(=O)C(C)C)c(C#N)c2C)c1C 872054 DGYOMIJRGRQZHY-UHFFFAOYSA-N 355.463 4.392 30 40 FIEB C#Cc1cccc(NC(=O)/C=C/c2ccc(OCc3ccncc3)cc2)c1 32301810 AFEOGNZDVRZNRP-DHZHZOJOSA-N 354.409 4.294 30 40 FIEB COc1cc(/C=C/C(=O)c2ccccc2C(F)(F)F)cc(OC)c1O 7739265 YUWTVKWTUMWEFN-BQYQJAHWSA-N 352.308 4.324 30 40 FIEB CCCOc1ccc(Cl)cc1/C=N/NCc1ccc(OC)c(OC)c1 20196309 WVHYSKOPCCCGPA-LPYMAVHISA-N 362.857 4.270 30 40 FIEB C/C=C/c1ccc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(OC)c1 12784363 DJGADFOYSYGDQV-HWKANZROSA-N 368.458 4.168 30 40 FIEB N#Cc1ccccc1NC(=O)c1ccc(-n2nncc2-c2ccccc2)cc1 13732712 JRYIEUCRWNIZGV-UHFFFAOYSA-N 365.396 4.058 30 40 FIEB O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)CC/C1=C\c1ccc([N+](=O)[O-])cc1 5124204 WRYUFOKEOTWUFL-JOBJLJCHSA-N 350.330 4.333 30 40 FIEB biogenic CC[C@@H]1C/C(=N\OC)c2cc(-c3ccc(Br)cc3)nnc2C1 5197159 ZTUGOPPWZDJEOW-CRPJYIMTSA-N 360.255 4.229 30 40 FIEB N#Cc1nc(/C=C/c2ccccc2)oc1N1CCN(c2ccccc2)CC1 5249715 PWYRTRMHCOTJJA-VAWYXSNFSA-N 356.429 4.043 30 40 FIEB N#C[C@H]1[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 225666290 QWNZNSFWGKGFRE-ARFHVFGLSA-N 352.242 4.073 30 40 FIEB C=C(C)COc1cc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)ccc1OC 70036536 SZWCPGSRFRKMKC-OAQYLSRUSA-N 364.445 4.379 30 40 FIEB CCOc1ccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc1 1531383109 AZBWBEQIUXXIJE-LFVJCYFKSA-N 369.424 4.344 30 40 FIEB N#Cc1cccc(S(=O)(=O)Oc2ccc(Oc3ccccc3)cc2)c1 16092967 DRKAEWJHPANSDH-UHFFFAOYSA-N 351.383 4.118 30 40 FIEB CCCn1/c(=N/C(=O)c2ccc(C#N)cc2)sc2cc(F)cc(F)c21 101061475 AVCHRZCJSIZHTN-PYCFMQQDSA-N 357.385 4.004 30 40 FIEB COc1ccc(Br)cc1/C=C/c1ccc([N+](=O)[O-])cc1C#N 1107747 BBEFSICIQWTNPJ-NSCUHMNNSA-N 359.179 4.408 30 40 FIEB Cc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccccc2)cc1 1438440 SBWSBNGIVNGVMG-LJQANCHMSA-N 359.381 4.371 30 40 FIEB C=CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1cccc(Cl)c1 2705543 ZZALWUYOZMGUEZ-HNNXBMFYSA-N 359.834 4.166 30 40 FIEB C=CCN(C(=O)c1cccnc1OCC)c1nc(-c2ccccc2)cs1 3351202 IKKGPEWVITVFJI-UHFFFAOYSA-N 365.458 4.437 30 40 FIEB CCn1c(SCc2ccccc2C#N)nnc1-c1ccc([N+](=O)[O-])cc1 4679507 FBOPXYUIQYNCSB-UHFFFAOYSA-N 365.418 4.037 30 40 FIEB COc1cccc(/C=C/C(=O)c2ccc(/N=C3\NCCCS3)cc2)c1 6235323 JYFJRCDEQVLCJI-IZZDOVSWSA-N 352.459 4.305 30 40 FIEB Cc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1ccc(Cl)cc1 12364084 OROMTOHELVYREW-FBHDLOMBSA-N 369.812 4.497 30 40 FIEB Cc1ccc(F)cc1NCC(=O)Nc1sc2c(c1C#N)CCCCC2 12981834 HUIMZPSDWACZJS-UHFFFAOYSA-N 357.454 4.387 30 40 FIEB C=CCSc1nc2nc(-c3ccccc3)cc(-c3ccccc3O)n2n1 13637447 UDTRIVCONWAKMS-UHFFFAOYSA-N 360.442 4.442 30 40 FIEB N#Cc1cccc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c1 16147452 JKVTVNGWTRKXKJ-UHFFFAOYSA-N 360.744 4.031 30 40 FIEB CC1(C)CCC(S(=O)(=O)/N=C(\O)CCc2c[nH]c3ccccc23)CC1 89919234 AMQDSPVYYVNFCS-UHFFFAOYSA-N 362.495 4.356 30 40 FIEB C[C@@H]1C[C@H](CNCc2cccc(OCc3cccc(C#N)c3)c2)CCO1 95457723 UZUQXLKXWPNQIR-YLJYHZDGSA-N 350.462 4.042 30 40 FIEB FC(F)(F)OC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F 97949854 YXCACLPYCBOASG-UHFFFAOYSA-N 366.048 4.379 30 40 FIEB CCNC(=S)N/N=C/c1cc(C)n(-c2ccc3ccccc3c2)c1C 107985854 ZBLANBBTVGTWBO-LPYMAVHISA-N 350.491 4.065 30 40 FIEB COc1ccc(-c2nnc(SCC#N)n2-c2ccc(Cl)cc2)cc1 2653672 JUHPEEDNGQXXAU-UHFFFAOYSA-N 356.838 4.212 30 40 FIEB Cc1c(Cl)cccc1-n1c(S[C@H](C)C#N)nc2ccccc2c1=O 4978372 IWCDNJFLTAZRLV-LLVKDONJSA-N 355.850 4.352 30 40 FIEB C=CCOc1ccccc1/C=C1\S/C(=N\c2ccccc2F)NC1=O 5376511 FBQUGCIHYDYOPI-ATVHPVEESA-N 354.406 4.282 30 40 FIEB C=CCOc1cccc(-c2nc(O)c3c(n2)Oc2ccc(F)cc2C3)c1 6748557 TZAXIUVTNCZUDE-UHFFFAOYSA-N 350.349 4.250 30 40 FIEB C=CCN([C@H]1CCc2ccccc21)S(=O)(=O)c1ccc(Cl)s1 32916398 KSQNKBVEUKQHMW-AWEZNQCLSA-N 353.896 4.266 30 40 FIEB C#CCOc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2cccc(OC)c2)cc1 36354832 MZYGKDUQCMVRNZ-LJQANCHMSA-N 373.412 4.017 30 40 FIEB C=CCc1cc(/C=N/c2cccc(Cl)c2)cc(OC)c1OCC(=O)O 59249177 PPFBKIOOWGCRFG-SRZZPIQSSA-N 359.809 4.291 30 40 FIEB Cc1ccc2c(c1)/C(=N\O)C(=O)N2Cc1ccc(OCCC(C)C)cc1 95946625 RIXATGVATSKWFC-LSDHQDQOSA-N 352.434 4.145 30 40 FIEB Cc1ccc(N2C(=O)CS/C2=N/C(=O)Nc2ccc(Cl)cc2)cc1 100136985 LASZMTHXVQLTOQ-LVZFUZTISA-N 359.838 4.316 30 40 FIEB COc1ccc(C(=O)/C(=C/Nc2ccc(F)cc2)C(=O)C(F)(F)F)cc1 100862393 HZROHCNYOCYGOT-GDNBJRDFSA-N 367.298 4.144 30 40 FIEB COc1cccc(C2CC(=O)C(=CNCc3ccc(Cl)cc3)C(=O)C2)c1 102374338 ZAUZHPMMUXYDPR-UHFFFAOYSA-N 369.848 4.038 30 40 FIEB COc1ccccc1/N=C\c1ccc(OCC(=O)NCc2ccccc2)cc1 408807052 NZOQFGJKPYBLGW-IWIPYMOSSA-N 374.440 4.141 30 40 FIEB Cc1ccc(/N=C\c2cc(Br)c(N3CCOCC3)o2)c(C)c1 408816708 KAMPMBGTKYLATP-ODLFYWEKSA-N 363.255 4.246 30 40 FIEB CC1=CC(=O)[C@H](C(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)s2)C(=O)O1 101006956 DMXONLDRYUZPGO-IWHGQQBYSA-N 372.829 4.297 30 40 FIEB COc1cc(OC)cc(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)c1 3245438 PUVIFHVNGHOORD-UHFFFAOYSA-N 359.381 4.462 30 40 FIEB N#Cc1ccc(NC(=O)CCSc2nnc(C3CCCCC3)o2)cc1 32903397 NQMCIKLVUIVDHP-UHFFFAOYSA-N 356.451 4.110 30 40 FIEB CC1(C)CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1ccc(Cl)cc1Cl 804252 LLBJIMCUCDWAKP-HNNXBMFYSA-N 363.248 4.243 30 40 FIEB CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@@]21C 118926615 ZDGBLAAWXWQTOP-ZKLDKPCXSA-N 370.489 4.041 30 40 FIEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)[C@@H]3CC=CCC3)c2)c1 12883097 QUHYWIAPLOXQJS-LJQANCHMSA-N 359.425 4.168 30 40 FIEB CN(C)c1ccc(/C=N/Nc2nc(Cl)c(C#N)c(Cl)c2Cl)cc1 4703513 WMRAHBZIWANFOX-DNTJNYDQSA-N 368.655 4.425 30 40 FIEB CCOC(=O)c1ccc(/N=C/c2cccn2-c2ccc(C(=O)O)cc2)cc1 409240242 PDEIEQCRLBFVIQ-HYARGMPZSA-N 362.385 4.103 30 40 FIEB C#CCN(C[C@@H]1CCCO1)C(=O)Nc1ccccc1SC1CCCC1 72268182 LBAAPUAVDGQXRM-INIZCTEOSA-N 358.507 4.367 30 40 FIEB CCOc1cc(/C=C2\S/C(=N/c3ccc(Cl)cc3)NC2=O)ccc1O 5217081 XODDHISCDKZOMA-YBEGLDIGSA-N 374.849 4.336 30 40 FIEB CCOC(=O)/C(=N\Nc1ccccc1Cl)N1CCCc2ccccc21 12524422 UEMYOSIJECCIBS-RELWKKBWSA-N 357.841 4.081 30 40 FIEB COc1ccc(-c2ccc(C#N)c3sc(-c4ccccc4)c(O)[n+]23)cc1 19074816 YEJRRYOYZRZYEG-UHFFFAOYSA-O 359.430 4.407 30 40 FIEB Cc1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)o1 19682358 PTTFBJMAXQDBBB-LFVJCYFKSA-N 357.457 4.310 30 40 FIEB CCSC1=N/C(=C\c2ccc(N(CC)CC)cc2OC)C(=O)S1 1007357 DJTMZQFDXSBJTH-UVTDQMKNSA-N 350.509 4.265 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccccc2)C[C@@H]1c1ccc(OC)cc1 2205011 CTEUILIVXVVQJX-CTNGQTDRSA-N 350.414 4.015 30 40 FIEB CCCCCC(=O)Nc1ccc(C(=O)COc2ccc(C#N)cc2)cc1 5868321 PAAYSFSIIHKBSV-UHFFFAOYSA-N 350.418 4.339 30 40 FIEB COc1ccc(/C=C/C(=O)c2cnn(C)c2)cc1CSc1ccccn1 6276442 VUPCVPKAOAEYKB-SOFGYWHQSA-N 365.458 4.012 30 40 FIEB O=C1/C(=C/c2cc3ccccc3o2)Oc2c1ccc(O)c2CN1CCCC1 9576593 ZULMPQMAVSEZST-NDENLUEZSA-N 361.397 4.350 30 40 FIEB biogenic COc1ccc2cc(CN(C)CCC(=O)Nc3ccccc3C#N)ccc2c1 12938250 HYMMWEWXKMBQRR-UHFFFAOYSA-N 373.456 4.181 30 40 FIEB COc1nc(N(C)C)sc1/C=N/N=C1c2ccccc2-c2ccccc21 17681173 IDCCEHYUUNIHQJ-CIAFOILYSA-N 362.458 4.070 30 40 FIEB N#Cc1c(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)sc2c1CCCC2 33342608 ROISWWBADGRWDB-HJWRWDBZSA-N 353.403 4.059 30 40 FIEB N#CCCn1cc(-c2nnc(-c3ccccc3)o2)c(-c2ccc(F)cc2)n1 71195166 SCBUQVOMRHQABG-UHFFFAOYSA-N 359.364 4.320 30 40 FIEB N/C(=N/OCc1cccc2cccnc12)c1cccnc1Oc1ccccc1 89845811 PGNDFPJJOLKLJB-UHFFFAOYSA-N 370.412 4.259 30 40 FIEB Cc1nn(C)c(C)c1C[C@@H](C)C(=O)Nc1cc(C(C)(C)C)sc1C#N 91208383 KHJOEUWKHYEHCN-LLVKDONJSA-N 358.511 4.085 30 40 FIEB N#Cc1ccc(C(=O)Nc2nnc(-c3cc(Cl)ccc3Cl)o2)cc1 4479414 JZIYRUNDWAKFKH-UHFFFAOYSA-N 359.172 4.167 30 40 FIEB Cc1ccc(/N=C2\NC(=O)[C@H](Cc3cccc(C(F)(F)F)c3)S2)cc1 5531920 LKJFEVJLZCHMNR-HNNXBMFYSA-N 364.392 4.476 30 40 FIEB COc1ccc(OCc2ccc(/C=C/C(=O)c3c(C)nn(C)c3C)o2)cc1 6920997 STNMMTCBDRRNLS-VAWYXSNFSA-N 366.417 4.114 30 40 FIEB C=CCc1cc(OC)c(O)c([C@@H](C)C(=O)c2ccc(OC)c(OC)c2)c1 13383571 VOKBRPPPSPIUIB-CYBMUJFWSA-N 356.418 4.133 30 40 FIEB biogenic,in-vitro O=C(/C=N/Nc1ccccc1)c1ccc(C(=O)/C=N/Nc2ccccc2)cc1 13402888 UDYKGAPTZNMEDF-DFEHQXHXSA-N 370.412 4.248 30 40 FIEB Cc1ccc(C[C@H](C#N)Sc2nnc(-c3sc(C)nc3C)o2)cc1 40051710 CNHDUWIXTCXYJW-CQSZACIVSA-N 356.476 4.345 30 40 FIEB O=C(/C=C/c1csc(-c2ccco2)n1)c1ccc(N2CCOCC2)cc1 89797969 XFRUFVVJJBUNAW-VMPITWQZSA-N 366.442 4.136 30 40 FIEB CCOc1cc(/C=N\O)cc(Br)c1OCc1ccccc1F 100250321 JDWRKXJQUHPWNI-OCKHKDLRSA-N 368.202 4.374 30 40 FIEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C[C@@]5(C(C)=O)O[C@@H]5[C@@]4(C)CC[C@H]32)C1 253501267 GWZAVXCYXHGFFE-XNONYCQISA-N 372.505 4.217 30 40 FIEB COc1ccc2c(c1)Cc1sc(/N=C\c3cccc(OC)c3O)nc1-2 409053303 BUSAUNDGGNNNAL-JMIUGGIZSA-N 352.415 4.188 30 40 FIEB N#CC[C@H]1CCCN(C(=O)c2cn(Cc3ccccc3)c3ccccc23)C1 597916942 VFLNCSLBFXTYEX-LJQANCHMSA-N 357.457 4.455 30 40 FIEB COc1ccc(C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1OC 894731 OPZBONGHZKHUEF-UHFFFAOYSA-N 356.447 4.158 30 40 FIEB CCC(=O)Nc1c(C#N)c2nc3ccccc3nc2n1-c1ccc(C)cc1 2376173 CXYBCMWLQRVUSX-UHFFFAOYSA-N 355.401 4.102 30 40 FIEB FC(F)(F)c1cccc(CO/N=C/Nc2ncnc3sccc23)c1 4013851 KPJTZVWCZJZTNQ-UHFFFAOYSA-N 352.341 4.282 30 40 FIEB CCCC[C@@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc([N+](=O)[O-])cc1 4626437 WVKDLKWFXFPJBB-KDOFPFPSSA-N 374.437 4.096 30 40 FIEB C=CCOc1ccc(CN(C)CC(=O)Nc2ccc(F)cc2Cl)cc1 8037665 OMOPOUCEUOHRDG-UHFFFAOYSA-N 362.832 4.114 30 40 FIEB N#Cc1ccc(OCC(=O)N2CCc3sccc3[C@H]2c2ccccc2)cc1 8115233 SRKZSIHJGAWOGT-JOCHJYFZSA-N 374.465 4.173 30 40 FIEB COc1cc(COC(=O)c2ccc(C#N)cc2)cc(Cl)c1OC(F)F 12899980 PVBARJCVJAORNC-UHFFFAOYSA-N 367.735 4.179 30 40 FIEB CCOC(=O)c1ccc(/N=C\c2ccc(N(CCC#N)CCC#N)cc2)cc1 18057042 CDXOCXGRPWTQKC-UQQQWYQISA-N 374.444 4.248 30 40 FIEB O=C1N/C(=N\c2ccccc2)S/C1=C/c1c(F)c(F)c(F)c(F)c1F 32137903 REXMFAQTGWPLPA-RMKNXTFCSA-N 370.302 4.274 30 40 FIEB CN(C)Cc1c(O)ccc2c1O/C(=C/c1c(Cl)cccc1Cl)C2=O 33363120 RDYSUKIAMIAUHK-LZYBPNLTSA-N 364.228 4.377 30 40 FIEB N#Cc1cccc(COc2cccc(/C=C3\SC(=S)N=C3O)c2)c1 40139532 PNEKONHYLJPDOG-SXGWCWSVSA-N 352.440 4.466 30 40 FIEB C=CCN(CC=C)C(=O)c1cc(Br)ccc1Br 68741435 SSPAREISOVMLNQ-UHFFFAOYSA-N 359.061 4.026 30 40 FIEB C=CCN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(OC)c(Cl)c1 224947552 UGRKGMQYQYEXKS-UHFFFAOYSA-N 365.882 4.347 30 40 FIEB Cc1c(C(=O)N2CCCC2)sc(NC(=O)c2cccc(Cl)c2)c1C#N 871486 SQWGQZUFYHJCOC-UHFFFAOYSA-N 373.865 4.070 30 40 FIEB Cc1cccc2cc(C#N)c(SCC(=O)N[C@H]3CCCC[C@H]3C)nc12 933884 OHSHYNXSKYPLEI-DYVFJYSZSA-N 353.491 4.202 30 40 FIEB CCSc1nc2n(n1)[C@H](c1ccccc1)C1=C(CC(C)(C)CC1=O)N2 4436321 ANISLGPXRXUDRU-MRXNPFEDSA-N 354.479 4.048 30 40 FIEB Cc1ccc2c(c1)s/c(=N/N=C/c1ccncc1)n2Cc1ccccc1 4703537 PQHZBTKARWBEMG-LGLHSBMDSA-N 358.470 4.389 30 40 FIEB Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(C)on2)cc1 5883719 AJFHTSIKSWURBR-LJQANCHMSA-N 374.396 4.074 30 40 FIEB C/C(=N\OCC(=O)NCc1ccc(Cl)cc1)c1cc2ccccc2o1 6948388 IFJSNILQXLJWCL-LPYMAVHISA-N 356.809 4.143 30 40 FIEB N#Cc1ccccc1CSc1nnc(-c2cccnc2)n1Cc1ccco1 7005946 HAZAQRKEJGZMHT-UHFFFAOYSA-N 373.441 4.145 30 40 FIEB CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C\c1cccc(C)c1)C2=O 9420398 BSWUGLPUENHCQP-UNOMPAQXSA-N 351.402 4.452 30 40 FIEB C=CCNc1nc(Nc2ccccc2C)c2cnn(-c3ccccc3)c2n1 9573517 HLIRCQGDOXEBJH-UHFFFAOYSA-N 356.433 4.465 30 40 FIEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](c1ccccc1)c1cccs1 12981750 LZHFHJXLYQOAMV-FOIQADDNSA-N 362.454 4.293 30 40 FIEB C#CCOc1ccc(/C=C2\C(=O)N(c3ccc(C)cc3C)N=C2C)cc1OC 23402572 KQBFTBMOLBHLSS-UYRXBGFRSA-N 374.440 4.130 30 40 FIEB Cc1ccc(-c2nc(CC(=O)Nc3sc(C)c(C)c3C#N)cs2)o1 31876063 TUGSYPLHCVSOIU-UHFFFAOYSA-N 357.460 4.443 30 40 FIEB C/C(=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1)c1ccncc1 33335930 PXCQCBOGRVCHKF-ITYLOYPMSA-N 368.484 4.193 30 40 FIEB O=[N+]([O-])c1cc(/C=N\Nc2ccccc2)ccc1/C=N/Nc1ccccc1 33375116 UTIDRDPVRYJJNO-BILXGNRESA-N 359.389 4.487 30 40 FIEB N#C[C@H](C(=O)c1cc(Cl)c2c(c1)OCCCO2)c1nc2ccccc2o1 41543927 WSDBQSXECOHTNE-GFCCVEGCSA-N 368.776 4.133 30 40 FIEB C=CCc1cc(/C=N/c2ccc(F)c(C)c2)cc(OC)c1OCC(=O)O 59247938 BUCIWLILGYBSCH-SSDVNMTOSA-N 357.381 4.085 30 40 FIEB C=CCOc1ccc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)cc1Cl 409077273 DQUXAZSGUQNCDZ-VBKFSLOCSA-N 360.841 4.130 30 40 FIEB CC1(C)CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1cccc(Cl)c1Cl 801862 RUQUTWVEJBTWDR-OAHLLOKOSA-N 363.248 4.243 30 40 FIEB C=C(C)COc1ccc2c(=O)c(Oc3ccc(C(=O)OC)cc3)coc2c1 2104244 XNFPIFPPCGOSBQ-UHFFFAOYSA-N 366.369 4.327 30 40 FIEB biogenic CN(C)c1ccc(/C=C2/CCC/C(=C\c3ccc([N+](=O)[O-])o3)C2=O)cc1 4817279 NGDYRNODUQAYDQ-RHDGPOJRSA-N 352.390 4.474 30 40 FIEB COc1ccccc1/C=C/c1nc(C#N)c(N2CCc3ccccc3C2)o1 8495848 JZLXXJNLCNMCMF-ZHACJKMWSA-N 357.413 4.288 30 40 FIEB N#CCc1ccc(NC(=O)CNc2ccccc2Cc2ccccc2)cc1 11623610 HXBRZESEALPHFR-UHFFFAOYSA-N 355.441 4.394 30 40 FIEB O=C1ON=C(c2ccc(Br)cc2)/C1=C/C=C/c1ccccc1 12375760 RLQOSLOFKWTPMK-QSJINSDNSA-N 354.203 4.350 30 40 FIEB C=CCNc1nnc(SCC(=O)Nc2ccccc2F)c2ccccc12 35311395 BBJHQZNDNAVJCE-UHFFFAOYSA-N 368.437 4.098 30 40 FIEB CCOC(=O)c1sc(NC(=O)c2c(F)cccc2Cl)c(C#N)c1C 36685969 QLTDKRPHFFQWFK-UHFFFAOYSA-N 366.801 4.150 30 40 FIEB C=C(C)COc1ccc([C@@H]2SCC(O)=Nc3[nH]nc(C)c32)cc1OC 44918391 UVSDZHPEWKQAKW-KRWDZBQOSA-N 359.451 4.106 30 40 FIEB O=C1C[C@H](C(=O)Nc2cccc(C#Cc3ccccc3)c2)c2ccccc2N1 73717833 PRTRAFBDILQLQS-NRFANRHFSA-N 366.420 4.151 30 40 FIEB CCCCCCCc1nnc(SCC(=O)Nc2ccccc2F)n1C 408560172 CJBYAMULSIFFLL-UHFFFAOYSA-N 364.490 4.198 30 40 FIEB Cc1c(/C=N/OCc2cccc([N+](=O)[O-])c2)ccc(N2CCCC2)c1C 408590122 GEUUAVZNAUGWGF-FYJGNVAPSA-N 353.422 4.363 30 40 FIEB CCc1nnc(S)n1/N=C/c1cc(C)n(-c2ccc(C)c(C)c2)c1C 408859599 YNSPPHNAEXCLOT-RGVLZGJSSA-N 353.495 4.036 30 40 FIEB N#Cc1cccc(CN2CCC(N[C@H]3CCCNc4ccccc43)CC2)c1 593695338 LBHNCJJROOUVNX-QHCPKHFHSA-N 360.505 4.059 30 40 FIEB CC(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(Cl)cc1Cl 1097839 HVVHRIBZGUYCON-HNNXBMFYSA-N 366.200 4.071 30 40 FIEB COC(=O)c1ccc(CSc2nc(C)cc(C(F)(F)F)c2C#N)cc1 21514421 JWYLQUIVSFJXFL-UHFFFAOYSA-N 366.364 4.359 30 40 FIEB N#Cc1ccc(OCC(=O)N2c3ccccc3OC[C@H]2c2ccccc2)cc1 8448677 PRFDERTYDXXSTP-NRFANRHFSA-N 370.408 4.104 30 40 FIEB C=CCn1c(SCC(C)=O)nnc1-c1cc(-c2ccccc2)sc1N 642560 ZHVRLSHWWLMJIC-UHFFFAOYSA-N 370.503 4.123 30 40 FIEB C[C@@H]1CC(C)(C)N2C(=O)/C(=N/c3ccc4c(c3)OCCO4)c3cccc1c32 12406296 QLRBMYZYQJWRHA-AIKVESQPSA-N 362.429 4.211 30 40 FIEB O=C1C=C(c2cccs2)C[C@H](c2ccccc2)[C@H]1n1cnc([N+](=O)[O-])c1 1056191 ZOODQONZQOFPIU-DNVCBOLYSA-N 365.414 4.234 30 40 FIEB Cc1cccn2c(/C=N/OC(=O)C3CC3)c(-c3ccc(Cl)cc3)nc12 1402744 QGCGXJGHAIQBEN-SRZZPIQSSA-N 353.809 4.250 30 40 FIEB Cc1ccccc1[C@@H]1C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)Nc2ncnn21 4782823 OYYMJMKWGYHMLF-QVKFZJNVSA-N 374.419 4.141 30 40 FIEB N#Cc1ccc(-c2ccc(OCC(=O)NCCc3cccs3)cc2)cc1 7752095 XMJGVUQLUJOMKH-UHFFFAOYSA-N 362.454 4.024 30 40 FIEB Cc1ccccc1CSc1nc(N)c(C#N)c(Cc2cccc(F)c2)n1 223677535 LVQCJSCIWOZKJA-UHFFFAOYSA-N 364.449 4.261 30 40 FIEB C=CCOc1cccc(NC(=S)NCCCc2ccc(OC)cc2)c1 225557615 SINYPLVRLVXBAI-UHFFFAOYSA-N 356.491 4.179 30 40 FIEB Cc1cccc(N/N=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)c1 4675280 PMZCSHPPTJJKSP-DARPEHSRSA-N 354.413 4.214 30 40 FIEB Cc1cc(N/N=C/c2cccnc2)nc(-c2ccc(Br)cc2)n1 4713103 HIZSUEVKCZQVNC-RGVLZGJSSA-N 368.238 4.056 30 40 FIEB CCc1ccc(-c2cs/c(=N\N=C\c3ccc([N+](=O)[O-])cc3)[nH]2)cc1 4957142 NYDODSNNHAZPMX-YBFXNURJSA-N 352.419 4.149 30 40 FIEB CCOC(=O)c1c(/N=C/N(C)C)sc(C=O)c1-c1ccccc1Cl 5447030 IZUMBFXSATVWFL-VXLYETTFSA-N 364.854 4.279 30 40 FIEB CC[C@H]1S/C(=N\N=C\c2ccc(C)cc2)N(Cc2ccc(F)cc2)C1=O 6358026 ACPSFEZTRFDYIT-RCRZSSQQSA-N 369.465 4.378 30 40 FIEB C#CC(CC)(CC)NC(=O)CSc1nc2cc(Cl)ccc2s1 18224045 XUJHBWHAZUFCHS-UHFFFAOYSA-N 352.912 4.350 30 40 FIEB Cc1cc(C(=O)Nc2cc(C(C)(C)C)sc2C#N)ccc1-n1cncn1 95440935 LWNIYXJKSSBVLT-UHFFFAOYSA-N 365.462 4.059 30 40 FIEB Cc1ccc([C@H](CNC(=O)Nc2scc(Cl)c2C#N)N(C)C)cc1 95450300 WQIULALQTKIBAZ-HNNXBMFYSA-N 362.886 4.006 30 40 FIEB CCc1ccccc1/N=C1\S/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N1C 408915626 QHQXCOZGTHCQQX-QHHAONBESA-N 367.430 4.391 30 40 FIEB N#Cc1c(-c2ccccc2OCc2ccccc2)c2c([nH]c1=N)CCCC2 408978338 IHWKVKLHPXDIFZ-UHFFFAOYSA-N 355.441 4.491 30 40 FIEB C#CCOc1c(Cl)cc(/C=C2\Sc3ccccc3NC2=O)cc1OC 409102364 SGVWFFKAOWZZPA-BOPFTXTBSA-N 371.845 4.446 30 40 FIEB N#Cc1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)sc2c1CCCCCC2 2729646 AYHZLOHJBKZEOH-UHFFFAOYSA-N 369.446 4.368 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(F)cc2)C[C@H]1c1cccc(OC)c1 4918570 YNICVHFUYGBONU-FPOVZHCZSA-N 368.404 4.154 30 40 FIEB S=C(NCc1ccccc1)NN=C(Cc1ccccc1)Cc1ccccc1 4985626 NOKYSCQEVMBCDD-UHFFFAOYSA-N 373.525 4.492 30 40 FIEB O=[N+]([O-])c1ccc(N/N=C(/c2ccccc2)c2ccsc2)c([N+](=O)[O-])c1 6514091 VFCDDSWIIMVYFL-ZPHPHTNESA-N 368.374 4.429 30 40 FIEB N#Cc1c(NC(=O)c2cc3ccccc3c(=O)s2)sc2c1CCCC2 12274393 QWVYTVCBNPZZAC-UHFFFAOYSA-N 366.467 4.326 30 40 FIEB N#Cc1c(CSc2nnc3sc4ccccc4n23)cn2ccccc12 12543556 DLYPHMMNQVJMPC-UHFFFAOYSA-N 361.455 4.361 30 40 FIEB Cc1cc([N+](=O)[O-])cc(/C=N/c2ccc(NC(=O)c3ccco3)cc2)c1O 35188663 UNMJOBRVJKEXLZ-RGVLZGJSSA-N 365.345 4.205 30 40 FIEB C#C[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 43759620 LFSRETZWVUHKLB-HPTKSSEUSA-N 356.506 4.245 30 40 FIEB biogenic CCOC(=O)[C@@H]1C(=O)C=C(c2ccsc2)C[C@@H]1c1ccc(OCC)cc1 69374881 XNWYKNFLUCKENO-QUCCMNQESA-N 370.470 4.466 30 40 FIEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)COCC(F)(F)F)c2C#N)C1 84169497 LQCQLQKVFYDOKK-JTQLQIEISA-N 374.428 4.288 30 40 FIEB C/C(=N\Nc1nc(C)cc(=O)[nH]1)c1ccc2c(c1)Nc1ccccc1S2 96305103 ACTUKWWKEDRHMP-FSJBWODESA-N 363.446 4.123 30 40 FIEB Cc1ccc(S(=O)(=O)Nc2ccccc2/C=N/c2ccccc2O)cc1 101447975 JNCMWKMAZZCNJN-KGENOOAVSA-N 366.442 4.252 30 40 FIEB Cc1cc(/N=C/c2ccc(O)c(I)c2)ccc1F 408965627 WNROVURSXVVOMM-CAOOACKPSA-N 355.150 4.195 30 40 FIEB COc1ccc(C(=O)Nc2sc3c(c2C#N)CCCCC3)c(OC)c1 2739091 VKDYYOJFWKESLI-UHFFFAOYSA-N 356.447 4.158 30 40 FIEB N#Cc1ccc(N2Cc3ccccc3/C2=N\C(=O)c2cccnc2Cl)cc1 12488419 WGOGLMNVJZRWAD-LKUDQCMESA-N 372.815 4.214 30 40 FIEB COc1ccc(C(=O)/C(=N/Nc2ccccc2)c2ccc(OC)cc2)cc1 102813606 CGAHFXXGUKHVGG-DARPEHSRSA-N 360.413 4.403 30 40 FIEB CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1nc(C2CC2)nc2ccccc12 10943502 GWVMNVRXYYBIHX-XCLFUZPHSA-N 368.506 4.042 30 40 FIEB N#Cc1ccc(-c2ccc(OCC(=O)NCCCc3ccccc3)cc2)cc1 3371789 CILRRJYOOZWLDZ-UHFFFAOYSA-N 370.452 4.353 30 40 FIEB Cc1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)c(C)n1-c1cccnc1 408781211 AZCIEXKGFFHSMH-UNOMPAQXSA-N 374.469 4.381 30 40 FIEB N#Cc1c(Cl)cccc1NCC1(c2ccc3c(c2)OCO3)CCOCC1 516362256 FAWOQEWEISGDGN-UHFFFAOYSA-N 370.836 4.101 30 40 FIEB CN1/C(=C\C(=O)COC(=O)/C=C/c2cccs2)C(C)(C)c2ccccc21 32876700 NINLWFVPYHEYSD-SOXNPBTNSA-N 367.470 4.185 30 40 FIEB C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 224930017 GJMBHKYTXNJVKH-UHFFFAOYSA-N 372.273 4.383 30 40 FIEB C=CCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccccc1Cl 44905148 JLZKRVZDZIBQBP-QGZVFWFLSA-N 372.852 4.052 30 40 FIEB CCOc1ccc(-c2cc(-c3cccc([N+](=O)[O-])c3)c(C#N)c(N)n2)cc1 19848282 FDKRHJPIVSXLEA-UHFFFAOYSA-N 360.373 4.176 30 40 FIEB CC[C@@H]1S/C(=N/N=C/c2cccs2)N(Cc2ccccc2C)C1=O 4954862 LUNBIPKQPZWQIZ-UEYPFEJESA-N 357.504 4.301 30 40 FIEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccs1 2775380 DJNSUGRTXHCBLI-SFHVURJKSA-N 359.491 4.305 30 40 FIEB CCCCC(=O)O/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 3064144 QVWOTDUCKVHSJN-QOCHGBHMSA-N 370.836 4.324 30 40 FIEB CCOc1ccc(S(=O)(=O)N/N=C(\C)c2ccc(C(C)(C)C)cc2)cc1 6675312 QGJQGOGICJASNI-RCCKNPSSSA-N 374.506 4.085 30 40 FIEB C=CCOc1c(/N=N/c2ccc(C(=O)O)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 9044246 VFWLWHOPJKWMAJ-ISLYRVAYSA-N 372.293 4.181 30 40 FIEB Cc1cc(O)c(CN2CCCC[C@@H]2C)c2c1C(=O)/C(=C/c1ccncc1)O2 20573684 WABAKMRZAIJNGU-CCRNYGKSSA-N 364.445 4.086 30 40 FIEB CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccc(C#N)cc1 38445487 YNBNUCZBPFCDOR-OMCISZLKSA-N 372.211 4.305 30 40 FIEB in-vitro Cc1cccc2c1/C(=N/O)C(=O)N2CCCOc1ccc(C(C)(C)C)cc1 46084976 KEKGLSJOOZEOJW-ATJXCDBQSA-N 366.461 4.287 30 40 FIEB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CCCCC#N)CC2 58340404 JHFTWDVCBPMITD-JOCHJYFZSA-N 350.462 4.345 30 40 FIEB CC1(C)OB(c2cnc(-c3cccc(C(F)(F)F)c3)s2)OC1(C)C 198093220 YZBJSPDLDQLQGJ-UHFFFAOYSA-N 355.190 4.128 30 40 FIEB C=CCNC(=O)c1ccc(OC)c(COc2ccccc2C(C)(C)C)c1 224166054 CVBJMZUOUFUUOZ-UHFFFAOYSA-N 353.462 4.488 30 40 FIEB CCOc1ccc(/C=N/Nc2nc3ccccc3n2CC)cc1OCC 408692816 WBRIZCVEUNZGJD-KGENOOAVSA-N 352.438 4.300 30 40 FIEB CC(C)(C)C(=O)C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1F 626174 VGGUFFLOPBGDJY-SFHVURJKSA-N 367.420 4.337 30 40 FIEB COc1ccc2nc(SCC(=O)Nc3cccc(C)c3)c(C#N)cc2c1 1354544 IRJJRRUDAQYQSJ-UHFFFAOYSA-N 363.442 4.154 30 40 FIEB Cc1ccc(/C=N/N=C2\S[C@H](C)C(=O)N2Cc2ccc(F)cc2)c(C)c1 2322015 XMKWKFDLZXGMOH-ZBHQPPOISA-N 369.465 4.297 30 40 FIEB O=C1C(=Cc2ccc(OC(F)F)cc2OC(F)F)C(=O)c2ccccc21 3318214 WTUOWXPRUIHKDY-UHFFFAOYSA-N 366.266 4.352 30 40 FIEB Oc1ccc(/C=N/Nc2nc(-c3ccccc3F)nc3ccccc23)c(O)c1 5034961 YYFHVWCXHGVOIK-FSJBWODESA-N 374.375 4.293 30 40 FIEB CN(C/C(O)=N/C1(C#N)CCCCC1)Cc1ccc(C(F)(F)F)cc1 40161844 GJPPGKXWKUDACK-UHFFFAOYSA-N 353.388 4.320 30 40 FIEB CCCN1C(=O)/C(=C/c2ccc(O)cc2)S/C1=N/c1ccc(OC)cc1 97466913 YKFLLPCISRROEB-RORWIDQYSA-N 368.458 4.415 30 40 FIEB O=C(/C=C\Nc1ccc([N+](=O)[O-])cc1Br)c1cccs1 100562519 BTGLPJCXIKOUAQ-WAYWQWQTSA-N 353.197 4.227 30 40 FIEB Cn1cc(/C=C2/Oc3c(ccc(O)c3CN3CCCC3)C2=O)c2ccccc21 20647625 IAQUVVVSBLVTIS-CIAFOILYSA-N 374.440 4.096 30 40 FIEB N#Cc1cnn(Cc2ccccc2)c1NC(=O)c1cccc(C(F)(F)F)c1 2659987 AQRNFFLNVUTLTD-UHFFFAOYSA-N 370.334 4.074 30 40 FIEB C=CCOc1ccc(/C=C2\N=C(c3cccs3)OC2=O)cc1OCC 1824669 YYLWXWKYKCLICT-KAMYIIQDSA-N 355.415 4.056 30 40 FIEB CC1(C)Cc2c(C#N)c(N3CCCCC3)nc(Cc3ccccc3)c2CO1 13510153 TWZWVVLWTIBCBD-UHFFFAOYSA-N 361.489 4.386 30 40 FIEB O=C(/C=C/c1cccc(Cl)c1)c1cc(Br)ccc(=O)c1O 4667465 IWUQVYPVUROZLW-GQCTYLIASA-N 365.610 4.064 30 40 FIEB C=CCOc1ccc(/C=C2\N=C(c3cc(Cl)ccc3OC)OC2=O)cc1 4664132 MCNIWRRFTQKFMJ-BOPFTXTBSA-N 369.804 4.258 30 40 FIEB Cc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(O)cc1 408911981 PGGWEZYPSVCREZ-NDENLUEZSA-N 350.378 4.154 30 40 FIEB C=C(C)COc1cccc(CN2CCC(c3n[nH]c4ncccc34)CC2)c1 12219407 NZROGCVKKKDMNT-UHFFFAOYSA-N 362.477 4.292 30 40 FIEB CC(C)(C)C(=O)Nc1ccc(C(=O)/C=C/c2ccc3c(c2)OCO3)cc1 4852263 FQQBZVVWWPITQU-ONNFQVAWSA-N 351.402 4.296 30 40 FIEB C=CCN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)O)ccc3C)o2)C1=O 981813 XPXJZUFMARJBBV-MHWRWJLKSA-N 369.398 4.176 30 40 FIEB O=C1N/C(=N\Nc2ccccc2)S/C1=C/c1ccc(Br)cc1 5519308 MYQNWDZCIXTTLV-GXDHUFHOSA-N 374.263 4.036 30 40 FIEB C=CCSc1nnc(NC(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)s1 2703085 QTXOTKKPKPOXMQ-VXNVDRBHSA-N 364.323 4.346 30 40 FIEB Cc1ccc(S(=O)(=O)/N=C(\c2ccccc2)N(C)c2ccccc2)cc1 4140749 VEDFPFNFUGDZLW-QURGRASLSA-N 364.470 4.267 30 40 FIEB C=C(C)Cn1c([C@@H]2CC(=O)N(c3cccc(OC)c3)C2)nc2ccccc21 5209409 XEHFZIMBSZZUPP-MRXNPFEDSA-N 361.445 4.142 30 40 FIEB Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(C)on2)cc1 5884193 AJFHTSIKSWURBR-IBGZPJMESA-N 374.396 4.074 30 40 FIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN(C)Cc4ccccc4)[C@H]3C[C@@H]12 12865287 GZTKHMWCEUGWEE-DLBZZEGUSA-N 353.506 4.433 30 40 FIEB biogenic CC(=O)[C@@H]1[C@H](c2cccc(Cl)c2)C(C#N)(C#N)[C@H]2c3ccccc3C=CN12 16034220 BOSYLVLSCRTKPW-PWRODBHTSA-N 373.843 4.456 30 40 FIEB COc1ccc(C(=O)/C=C/c2csc(-c3ccccn3)n2)c(OC)c1 40139506 VFLGSIAWKSYHEK-RMKNXTFCSA-N 352.415 4.118 30 40 FIEB N#Cc1cccc(NC(=O)N(CCc2ccccc2)Cc2cccnc2)c1 40157637 VUIWRNZYTDBHNU-UHFFFAOYSA-N 356.429 4.230 30 40 FIEB CCCCCCCNCc1ccc(OCC(=O)NC(C)(C)C)c(OC)c1 102568124 MOZGTANELKXGIY-UHFFFAOYSA-N 364.530 4.049 30 40 FIEB CC(=O)O[C@@H]1C[C@]2(C)[C@H](C(C)=O)CC[C@@H]2[C@@H]2CCC3=CC(=O)CC[C@]3(C)[C@H]21 253499514 IWRPVTXREVYBHT-IUWQRJJKSA-N 372.505 4.265 30 40 FIEB biogenic CCCCCCCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1C 408560853 PSRCGCVGKKSUCJ-INIZCTEOSA-N 374.554 4.298 30 40 FIEB O=[N+]([O-])c1cccc(CO/N=C/c2ccc(N3CCCCC3)c(F)c2)c1 408595521 XFFWHPYURHNZGU-FYJGNVAPSA-N 357.385 4.275 30 40 FIEB CCN1C2=C(C(=O)CCC2)C(c2cccc([N+](=O)[O-])c2)C2=C1CCCC2=O 409032927 DWPRMFMBCOZWRR-UHFFFAOYSA-N 366.417 4.028 30 40 FIEB Cc1nc(SCC(=O)Nc2ccccc2C#N)c2c(C)c(C)sc2n1 6849073 HYWITEKYVDDFME-UHFFFAOYSA-N 368.487 4.219 30 40 FIEB Cc1ccccc1C(=O)/C=C/c1cc2ccccc2nc1N1CCOCC1 12766134 QVHSILKWNHXPML-ZHACJKMWSA-N 358.441 4.276 30 40 FIEB CCCOc1ccc(/C=N/NCc2ccc(OC)c(OC)c2)cc1OCC 20196477 RKZACYGMXDBDDR-HZHRSRAPSA-N 372.465 4.015 30 40 FIEB O=[N+]([O-])c1cccc(/C=N/OCc2coc(-c3cccc(Cl)c3)n2)c1 26776791 YTWNRUOKTBOCNZ-DJKKODMXSA-N 357.753 4.454 30 40 FIEB O=C(C[n+]1cc(-c2ccccc2)n2c1CCC2)c1ccc2c(c1)CCCC2 27299972 JZNWIAHXQHPROO-UHFFFAOYSA-N 357.477 4.151 30 40 FIEB O=C1C=CC(=CNNc2scc(-c3ccccc3)[n+]2-c2ccccc2)C=C1 38174120 GEJFVZPCEOCMFA-UHFFFAOYSA-O 372.473 4.187 30 40 FIEB CCOC(=O)c1ccc(/C=C/C(=O)c2cc(Cl)c(N)c(Cl)c2)o1 89984877 GPXMDCZSPPRBIW-HWKANZROSA-N 354.189 4.241 30 40 FIEB COc1ccc(NC(=O)CSc2nc3cc(C)ccc3cc2C#N)cc1 898926 FELZQTLUFULXKJ-UHFFFAOYSA-N 363.442 4.154 30 40 FIEB C=CCN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C1=O 1135681 CRGDNCYWSKFTLF-MHWRWJLKSA-N 370.386 4.386 30 40 FIEB CSc1ccc(/C=N/n2c(C)nc3c([nH]c4ccc(C)cc43)c2=O)cc1 2328772 ZAWAJSNJLYYQFU-SRZZPIQSSA-N 362.458 4.099 30 40 FIEB N#Cc1ccc(CSc2nnc(-c3ccncc3)n2Cc2ccco2)cc1 2391486 DJERCPFKQAKLOL-UHFFFAOYSA-N 373.441 4.145 30 40 FIEB CCc1c(C)sc(NC(=O)[C@H]2CC(c3ccccc3Cl)=NO2)c1C#N 4504962 ZDWBWSKMOJTVKV-MRXNPFEDSA-N 373.865 4.276 30 40 FIEB COC(=O)C1=C(C)N(c2ccc(F)cc2)/C(=C/c2sccc2C)C1=O 4703153 ACXHEIMPLYKPMJ-XNTDXEJSSA-N 357.406 4.073 30 40 FIEB Cc1ccc(/C=N/N=C2/S[C@@H](C)C(=O)N2Cc2ccccc2C)cc1 4889274 YZHIHNNYLIGCBH-NZEMBNLVSA-N 351.475 4.157 30 40 FIEB COc1ccc(-c2csc(/C(C#N)=N\Nc3ccc(F)cc3)n2)cc1 5022971 UVHHHLYZRVSEFI-KQWNVCNZSA-N 352.394 4.298 30 40 FIEB O=C(/C=C/c1ccccc1)Oc1ccc2c(c1)O/C(=C\c1ccncc1)C2=O 5186139 XYBZGSLNQHULJM-LVKJFYNQSA-N 369.376 4.317 30 40 FIEB Cc1nc(-c2ccc[n+](C)c2)sc1C(=O)/C=C/c1ccc(Cl)cc1 6187216 XQYNVWCATNEHNL-JXMROGBWSA-N 355.870 4.493 30 40 FIEB Cc1cc(/C=N\OCc2ccccc2C#N)c(C)n1-c1ccc([N+](=O)[O-])cc1 408595084 VOIZXPNOCSTKOE-QRVIBDJDSA-N 374.400 4.425 30 40 FIEB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N/c1ccc(Br)cc1C 408740880 NIATWEYZYRSECC-MBTVCVBTSA-N 370.250 4.499 30 40 FIEB CCN1C(=O)[C@@H](Cc2ccc(F)cc2)S/C1=N/c1ccc(OC)cc1 409140566 JDMNXQIJKNDOJC-RWNPKEDZSA-N 358.438 4.028 30 40 FIEB C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C#N)cc2)nc2ccccc21 4492826 OEFAFEZBJPRRNR-CQSZACIVSA-N 362.458 4.213 30 40 FIEB CCN1CCN(c2ccc(/N=C/c3cccc(Br)c3)cc2)CC1 880881 RQHDDAFWASHUBU-RCCKNPSSSA-N 372.310 4.342 30 40 FIEB CCOc1ccc(C(=O)Nc2sc3c(c2C#N)CCC3)cc1OCC 27922957 PFZYAQGDPZOPKN-UHFFFAOYSA-N 356.447 4.158 30 40 FIEB C/C(=C\C(=O)c1c(O)c2ccccc2n(C)c1=O)Nc1ccc(Cl)cc1 101153864 BTSXOPQMLUKASF-VAWYXSNFSA-N 368.820 4.096 30 40 FIEB Cc1cccc(/N=C(\N)SCc2ccc(C(=O)N3CCCC3)cc2)c1 44793213 KBPZIIYDFHUIBK-UHFFFAOYSA-N 353.491 4.111 30 40 FIEB O=C1[C@H]2C3=C(CCCC3)S[C@@H]2N=C(SC[C@@H]2CO2)N1c1ccccc1 25666917 GAQNJNHVLDQEGY-JQFCIGGWSA-N 372.515 4.038 30 40 FIEB N/C(=N/OCc1ccc(Cl)cc1)c1cccnc1Oc1ccccc1 71831463 JNVSCUNNJCESLI-UHFFFAOYSA-N 353.809 4.364 30 40 FIEB CCCCOC(=O)CSc1nc(-c2ccc(OC)cc2)ccc1C#N 33011208 ZQWOLCYDOXSAMR-UHFFFAOYSA-N 356.447 4.064 30 40 FIEB CC(C)(C)C(=O)[C@H]1[C@H](c2ccco2)C(C#N)(C#N)[C@H]2C=Cc3ccccc3N12 5091905 YHJDCWDKXVQGJK-HSALFYBXSA-N 371.440 4.296 30 40 FIEB F[C@@H](OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F)C(F)(F)F 1848350216 JPMFKQBIYVBUAD-SFOWXEAESA-N 352.046 4.218 30 40 FIEB CC1(C)CC2=NC(=S)[C@@H](C#N)[C@@H](c3ccc([N+](=O)[O-])cc3)C2=C(O)C1 4844154 VGWAAZWZWIXQIV-SWLSCSKDSA-N 355.419 4.232 30 40 FIEB COc1cccc(OC)c1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 1959642 MKLFANOLHHNWRW-LLVKDONJSA-N 356.447 4.014 30 40 FIEB C=CCSc1nnc(NC(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)s1 2703082 QTXOTKKPKPOXMQ-IONNQARKSA-N 364.323 4.346 30 40 FIEB C/C(=N\Nc1ccccc1C(F)(F)F)c1ccc(N2CCOCC2)cc1 6368106 XOTRPMMUKKMFJU-OEAKJJBVSA-N 363.383 4.378 30 40 FIEB CCOc1ccc(/C=C/C(=O)c2c(C)nn3c4ccccc4n(C)c23)cc1 8337832 KFDSAYMFBGQNLJ-SDNWHVSQSA-N 359.429 4.429 30 40 FIEB COc1ccc(-c2csc(NC(=O)c3ccc(C)o3)n2)cc1CC#N 9954615 MIYYAOZEXMIGBD-UHFFFAOYSA-N 353.403 4.039 30 40 FIEB COc1cccc(C(=O)/N=C2\c3ccccc3CN2c2ccc(C#N)cc2)c1 12653027 VRUGHCFWTSMRSU-YYDJUVGSSA-N 367.408 4.174 30 40 FIEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccccc1)c1cccs1 12981748 LZHFHJXLYQOAMV-YWZLYKJASA-N 362.454 4.293 30 40 FIEB Cc1noc2c1[C@H](c1cccnc1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 13570255 VLQXBHYDFCEKEJ-JXFKEZNVSA-N 357.413 4.336 30 40 FIEB CCOC(=O)/C(=N/[C@H](C)CC)NNc1cc(C(F)(F)F)ccc1Cl 15906807 ANOLUROSNVJTLC-SECBINFHSA-N 365.783 4.035 30 40 FIEB O=C1ON=C(c2ccccc2)/C1=C\c1ccc(OC(=O)c2ccccc2)cc1 33338898 DXQCGIUMPFTPMW-HMMYKYKNSA-N 369.376 4.250 30 40 FIEB N#Cc1ccc([C@@H]2CC(O)=Nc3c(C(=O)O)cn(-c4ccccc4)c32)cc1 40287608 MIORHTWWPIWGEE-INIZCTEOSA-N 357.369 4.171 30 40 FIEB N#CCC1(CS(=O)(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 579436074 WGPJJZZXUFSEFL-OAHLLOKOSA-N 373.305 4.154 30 40 FIEB CO[P@@](=O)(C#Cc1ccccc1)[C@@H](O)c1ccc(Br)cc1 1310226 KZALOBXNUSOFOH-IERDGZPVSA-N 365.163 4.374 30 40 FIEB N#Cc1cc(-c2ccccc2)cn(Cc2cccc(C(F)(F)F)c2)c1=O 1391849 CZHGYODMEYWHEW-UHFFFAOYSA-N 354.331 4.454 30 40 FIEB N#Cc1ccccc1COc1ccc(Br)cc1/C=C/[N+](=O)[O-] 1410995 JXIUQTFEPIJJOB-BQYQJAHWSA-N 359.179 4.147 30 40 FIEB O=C1Nc2ccc(Br)cc2/C1=N\c1ccc(F)c(Cl)c1 3097731 GRDJAJKKAOVBIX-UHFFFAOYSA-N 353.578 4.315 30 40 FIEB CC1(C)CC2=NC(=S)[C@H](C#N)[C@H](c3ccc([N+](=O)[O-])cc3)C2=C(O)C1 4844157 VGWAAZWZWIXQIV-DOMZBBRYSA-N 355.419 4.232 30 40 FIEB N#C/C(=N\Nc1cccc(Cl)c1)C(=O)c1ccc(Br)cc1 5671152 OAUOMDVOWDMIHT-XSFVSMFZSA-N 362.614 4.277 30 40 FIEB O=c1c(/C=N/C2CCCCC2)c(NC2CCCCC2)nc2ccccn12 6536972 UKYUDMYWJDNMGH-PXLXIMEGSA-N 352.482 4.191 30 40 FIEB C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2)nnc1-c1ccoc1C 6911451 SMUCIMMLOWBERP-CQSZACIVSA-N 368.462 4.152 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@H]1c1cccs1 9576755 GAGLPAKUZBANTI-QFBILLFUSA-N 356.443 4.076 30 40 FIEB CSc1nc2n(n1)[C@H](c1ccc(C(C)C)cc1)C1=C(C[C@H](C)CC1=O)N2 22608300 MGRYTLQSOSLCKL-KPZWWZAWSA-N 368.506 4.391 30 40 FIEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cccc(-c2cnco2)c1 48205230 CYYVSIJYFZPQIX-UHFFFAOYSA-N 358.357 4.158 30 40 FIEB Cc1cccc(N2C(S[C@@H](C)C#N)=NN/C2=C2\C=Nc3ccccc32)c1 102458371 LICGAUOPHAIXID-STGLLQLASA-N 359.458 4.406 30 40 FIEB O=C(Nc1cc(Cl)cc(Cl)c1)O[C@H]1C[C@H]2C[C@@H]1[C@H]1C[C@H]3O[C@@H]3[C@H]21 103894608 SCMSVYPLOIDEGK-WUCFUHTJSA-N 354.233 4.354 30 40 FIEB C=CCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc(C)cc1C 222954759 AMLJDLJLUCCIAR-LJQANCHMSA-N 366.461 4.015 30 40 FIEB CC(C)CC(=O)C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1F 626201 RJSWAFKEXXXFLF-HXUWFJFHSA-N 367.420 4.337 30 40 FIEB COc1ccc(NC(=O)CSc2nc3c(C)cccc3cc2C#N)cc1 1223897 NULZRKUZQFBIGQ-UHFFFAOYSA-N 363.442 4.154 30 40 FIEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]4C[C@H]5O[C@@]5(C(C)=O)[C@@]4(C)CC[C@H]32)C1 4081841 YRLVTBXOGJMZNC-SWZWATLYSA-N 372.505 4.217 30 40 FIEB biogenic C=CCOC(=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1 226307041 ROQNRLCYNBCVDO-UHFFFAOYSA-N 361.191 4.011 30 40 FIEB Cc1cc(/C=N/c2ccc(C(=O)O)cc2)c(C)n1-c1ccccc1C(=O)O 408913175 TUMXHCKFVWOMQX-WSDLNYQXSA-N 362.385 4.241 30 40 FIEB COC(=O)c1sc(NC(=O)c2cc(Cl)ccc2Cl)c(C#N)c1C 4537751 HQEIDNFNMBVQIK-UHFFFAOYSA-N 369.229 4.274 30 40 FIEB N#Cc1ccc(C(=O)/N=C2\c3ccccc3CN2c2ccc(F)cc2)cc1 103457483 AMEMBPAEEUXUII-NJNXFGOHSA-N 355.372 4.305 30 40 FIEB C/C(=N/O)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N\O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C 118917627 DAJBMKKLLJTPAS-GTLRALGGSA-N 360.498 4.217 30 40 FIEB Cc1ccc(/C=N/N=C2\S[C@@H](C)C(=O)N2Cc2ccccc2C)c(C)c1 2261696 NJZWHCHSLNWWMD-RYWLNDRFSA-N 365.502 4.466 30 40 FIEB CC(C)OC(=O)C[C@H](NC(=O)c1ccc(C#N)cc1)c1ccccc1Cl 10815412 APXOTRHOKKHFGJ-SFHVURJKSA-N 370.836 4.024 30 40 FIEB CN(C)c1ccc(/C=N/NC(=S)Nc2ccc(Cl)cc2Cl)cc1 2320722 RFWVYIUZBTVHAJ-VXLYETTFSA-N 367.305 4.380 30 40 FIEB CCOc1cc2c(cc1/C=C/C(=O)c1ccc3c(c1)OCO3)O[C@H](C)C2 5129228 VLZQQXWFKGOHRU-DIECRNLCSA-N 352.386 4.034 30 40 FIEB COc1cc(NC(=O)c2ccccc2-c2ccccc2C#N)cc(OC)c1 7277766 QZVWJJQYVURDQG-UHFFFAOYSA-N 358.397 4.495 30 40 FIEB CC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(Br)c1)C2=O 8991935 FGDNYRIMCKCHHI-IUXPMGMMSA-N 373.202 4.033 30 40 FIEB biogenic N#Cc1ccc(NCc2ccc(N3CCOCC3)cc2)c(C(F)(F)F)c1 78972660 ZDCUKXJIVIWSEY-UHFFFAOYSA-N 361.367 4.026 30 40 FIEB O=C1NC(=Nc2ccc(F)cc2)S/C1=C\c1ccc(N2CCCC2)cc1 408960078 JBNAWIHKPRVSJW-AQTBWJFISA-N 367.449 4.318 30 40 FIEB Cc1cccc(-n2c(C)cc(/C=N\Nc3ccc([N+](=O)[O-])cn3)c2C)c1C 33929243 FOJCTEFBOOCYJR-JJFYIABZSA-N 363.421 4.460 30 40 FIEB Cc1ccc(-c2ccc(/C=N/Nc3nc4ccccc4[nH]3)o2)cc1[N+](=O)[O-] 408723540 YVVIDASWEDMKPA-RGVLZGJSSA-N 361.361 4.486 30 40 FIEB C=CCSc1ccccc1C(=O)N(C)Cc1nc(-c2cccs2)no1 219820032 RFNYBAVQZDFJPQ-UHFFFAOYSA-N 371.487 4.348 30 40 FIEB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N/c1sc2c(c1C#N)CCCC2 100193806 XVXRYUBZNQKTKK-QQZPLFJDSA-N 362.458 4.240 30 40 FIEB CCCCCCOC(=O)C[N+](C)(C)CCO[C@H]1C[C@H]2CC[C@]1(C)C2(C)C 2291671 AJKXZFPSOIGUAC-DXIQSLLYSA-N 368.582 4.418 30 40 FIEB O=C(/C=C/c1cc(Cl)cc2c1COCO2)c1cc(Cl)ccc1O 4771660 RZLKOFUCVXQTGI-HNQUOIGGSA-N 351.185 4.462 30 40 FIEB COc1ccccc1/C=C1\S/C(=N\c2ccc(F)c(Cl)c2)NC1=O 5376404 CBQVYQTXFPPBMY-NVNXTCNLSA-N 362.813 4.379 30 40 FIEB O=C1C[C@H](c2cccc(F)c2F)C2=C(C[C@H](c3ccc(F)cc3)CC2=O)N1 6820336 NBWFLVIKSKSADJ-SWLSCSKDSA-N 371.358 4.108 30 40 FIEB Cc1nc(SCC(=O)Nc2ccc3c(c2)CCC3)c(C#N)c(C)c1C 7058808 NZVJPMWFJMRZHU-UHFFFAOYSA-N 351.475 4.098 30 40 FIEB CCOc1ccc(/N=C2/SCC(=O)N2c2ccc(OCC)cc2)cc1 16684089 PSDUEIUAOUOVNC-FMQUCBEESA-N 356.447 4.252 30 40 FIEB Cc1ccc(OCc2nnc(SCc3ccccc3C#N)o2)cc1C 19927978 PUDZPOSFESKSFK-UHFFFAOYSA-N 351.431 4.429 30 40 FIEB Cc1nc2n(n1)[C@@H](c1ccc(Cl)c(Cl)c1)C1=C(C[C@@H](C)CC1=O)N2 22608086 FSFRPPJEMRZMTD-BCTVWOGZSA-N 363.248 4.161 30 40 FIEB CSc1nc(C2CC2)cc(C(=O)Nc2cnc3ccccc3c2)c1C#N 31971091 YERMIPRDZWQWBI-UHFFFAOYSA-N 360.442 4.353 30 40 FIEB CC(=O)c1cc(C#N)c(SCC(=O)c2cc(C)cc(C)c2C)nc1C 95117488 LOANSQFVVWGDIB-UHFFFAOYSA-N 352.459 4.365 30 40 FIEB C=CCn1c(CCCC)nnc1SCC(=O)Nc1c(C)cc(C)cc1C 408560443 HZCHLYJNULLRJX-UHFFFAOYSA-N 372.538 4.463 30 40 FIEB Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccccn1 409243554 SKIBMNXYPVHKTD-LFVJCYFKSA-N 360.461 4.076 30 40 FIEB N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)O)cc2)cc1 990866 NZDSLAZGOHKGCW-OALUTQOASA-N 364.401 4.180 30 40 FIEB N#CCSc1nc2ccccc2c(=O)n1-c1cccc(C(F)(F)F)c1 3344313 TXYQJDBZDXEXPQ-UHFFFAOYSA-N 361.348 4.020 30 40 FIEB C=CCSc1nnc(NC(=O)c2cc3c(s2)CCCCC3)s1 3407507 AASYQHWOTFBHQX-UHFFFAOYSA-N 351.522 4.399 30 40 FIEB CC1=C(OC(C)C)[C@]2(O[C@@H](C)C(c3ccccc3)(c3ccccc3)O2)C1=O 4649150 VEJMFBKFPIFTRC-SBUREZEXSA-N 364.441 4.344 30 40 FIEB C=CCNc1nc(C(=O)OCCOc2ccc(Cl)cc2Cl)cs1 5040204 XQSCHBBVPSTWCR-UHFFFAOYSA-N 373.261 4.284 30 40 FIEB CN(C)c1ccc(/C=C2\CC/C(=C(/O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 16186326 MSVDQMYJASEDBA-XWLVTCQQSA-N 364.401 4.376 30 40 FIEB C[C@H]1CCc2c(sc(NC(=O)C3=Cc4ccccc4OC3)c2C#N)C1 61198024 ZPYBVTVQVBUCMP-LBPRGKRZSA-N 350.443 4.159 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(F)c2)C[C@H]1c1ccc(OC)cc1 97104939 WPKXKKMHTUJEPI-FPOVZHCZSA-N 368.404 4.154 30 40 FIEB O=C1C(O)=C(CC=C(C(F)(F)F)C(F)(F)F)C(=O)c2ccccc21 104107880 CCBLRVACXYLIDB-UHFFFAOYSA-N 350.214 4.319 30 40 FIEB CCc1ccccc1/N=C/c1ccc(O)c(I)c1 408904773 OKGWDMMMJOGMGF-LICLKQGHSA-N 351.187 4.310 30 40 FIEB Cc1ccc(S(=O)(=O)O[C@H]2CCCC[C@@H]2c2ccccc2N(C)C)cc1 1715753 VDTSLRSPNDHAKQ-CTNGQTDRSA-N 373.518 4.493 30 40 FIEB C=CCn1c(SCc2ccc(C#N)cc2)nc2sc(C)c(C)c2c1=O 2403664 XYMQSIDHVUVBCQ-UHFFFAOYSA-N 367.499 4.425 30 40 FIEB Cc1ccc2nc(SCC(=O)N(CCC#N)c3ccc(F)cc3)[nH]c2c1 5927722 QJSNJNYOLMLZBX-UHFFFAOYSA-N 368.437 4.049 30 40 FIEB O=C1Nc2ccccc2/C1=N\Nc1nnc(-c2cccs2)c2ccccc12 6536278 RMYDOKQSLKKLPC-UHFFFAOYSA-N 371.425 4.127 30 40 FIEB N#Cc1cccc(COc2cccc(NC(=O)c3ccccc3[N+](=O)[O-])c2)c1 32289526 LCYJUGARXQMJRM-UHFFFAOYSA-N 373.368 4.298 30 40 FIEB C#CCOc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccccc2F)cc1 36354473 OYACTKAKPPKPJW-INIZCTEOSA-N 361.376 4.147 30 40 FIEB CCN(C(=O)CCCOc1ccc(C#N)cc1OC)c1cc(C)ccc1C 49656761 ORFNCRZRSYSLTP-UHFFFAOYSA-N 366.461 4.396 30 40 FIEB C[C@@H](OC[C@H]1CCCCO1)C(=O)Nc1sc(-c2ccccc2)cc1C#N 69356536 CKMQCVPEPHKKOO-RHSMWYFYSA-N 370.474 4.199 30 40 FIEB COc1cc(Cl)cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c1O 101620915 ZACWBEONFANOJV-OBISYWBXSA-N 368.886 4.143 30 40 FIEB O=C(ON1C(=O)c2cccc3c(Cl)ccc(c23)C1=O)C1CCCCC1 103707319 JYHRCBSMOITBQT-UHFFFAOYSA-N 357.793 4.128 30 40 FIEB COc1cc(C#N)ccc1OCC(=O)c1cc(C)n(Cc2ccccc2)c1C 3410721 VRIWFHXXNLELQB-UHFFFAOYSA-N 374.440 4.295 30 40 FIEB O=C1C[C@H](/C=C/c2ccccc2)CC2=C1[C@@H](c1ccccc1)n1ncnc1N2 9190050 UNLYGRGVEDSGDH-KBBPXWAJSA-N 368.440 4.240 30 40 FIEB C[C@@H](Sc1ncccc1C#N)C(=O)Nc1cc(Cl)ccc1Cl 9295524 ATVDIZUGIKVZQW-SECBINFHSA-N 352.246 4.379 30 40 FIEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H](C)c1cc2ccccc2o1 12897942 ICOMNOHISMNLTR-CYBMUJFWSA-N 359.385 4.488 30 40 FIEB Cc1ccnc(/N=C/c2c(O)c([N+](=O)[O-])cc3oc4c(c23)CCCC4)c1 20828249 YRBPWQJSWCKLDV-UFFVCSGVSA-N 351.362 4.379 30 40 FIEB N#Cc1ccc(COc2ccc3ccccc3c2CN2CCOCC2)cc1 25387484 PRLSIFOWZYDGQF-UHFFFAOYSA-N 358.441 4.123 30 40 FIEB CC(=O)Nc1ccc(F)c(NC(=O)c2ccc(C#Cc3ccccc3)cc2)c1 25601956 UVHCZKRFKAQUIG-UHFFFAOYSA-N 372.399 4.436 30 40 FIEB C=C1C(C)(C)[C@@H]2CC[C@]1(C(=O)N1CCN(c3cccc(Cl)c3)CC1)C2 100261351 FPZQRRGQILMESK-IERDGZPVSA-N 358.913 4.371 30 40 FIEB CCOC(=O)c1c(C)oc2c1/C(=C/Nc1ccccn1)C(=O)c1ccccc1-2 100834828 NDQQZKUUSIMWGX-VBKFSLOCSA-N 374.396 4.476 30 40 FIEB O=C1/C(=N\O)c2cc(Cl)ccc2N1CCOc1cccc2ccccc12 101102033 ZEMDPEASXOERQX-QOCHGBHMSA-N 366.804 4.097 30 40 FIEB C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1C[C@@H](C)Oc2ccccc21 562673400 ZSIWUPOWABQDKG-OXQOHEQNSA-N 361.445 4.168 30 40 FIEB CC1(C)[C@H]2CC[C@@]1(C)C(=O)/C2=C\C(=O)OC[C@H]1C(=O)[C@]2(C)CC[C@H]1C2(C)C 100362785 GFUKRGMWZLCMQM-FXWACJLTSA-N 372.505 4.123 30 40 FIEB CCOc1ccc(/C=C2/C(=O)ON=C2c2ccc(Cl)cc2)c(OCC)c1 2290496 CHHPJCAHUWFTNV-GZTJUZNOSA-N 371.820 4.482 30 40 FIEB CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1nc(C2CC2)nc2ccccc12 10943495 GWVMNVRXYYBIHX-ZUOKHONESA-N 368.506 4.042 30 40 FIEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H]1CCSc2ccccc21 12991517 HJLLFDSSCKRRFM-MRXNPFEDSA-N 363.442 4.217 30 40 FIEB N#Cc1ccc(COC(=O)c2ccc(-n3cnc4ccccc43)cc2)cc1 6648026 WXXHEXABOFSIPH-UHFFFAOYSA-N 353.381 4.254 30 40 FIEB N#Cc1ccc(CSc2nnc(NC(=O)C3CCCCC3)s2)cc1 6834397 JAFCMNXGZWWQIK-UHFFFAOYSA-N 358.492 4.221 30 40 FIEB C=CCc1cc(/C=C2/SC(=S)N(CCC)C2=O)cc(OC)c1OC 409343426 GSRGVYARXVWVSB-RVDMUPIBSA-N 363.504 4.044 30 40 FIEB COc1ccc2c(c1)OCc1sc(/N=C/c3cccc([N+](=O)[O-])c3)nc1-2 408723463 VJUFQXOLRAJUNB-DJKKODMXSA-N 367.386 4.370 30 40 FIEB C#C[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2049243855 GVBHYHFYTCVSPY-OLYVTEEGSA-N 358.522 4.325 30 40 FIEB CC(C)(C)c1ccc(C(=O)O[C@@H](C#N)Cc2ccc([N+](=O)[O-])cc2)cc1 3244868 IVSKPQNMSRPUIR-GOSISDBHSA-N 352.390 4.184 30 40 FIEB C=CCN1C[C@H](c2nc3ccccc3n2Cc2cccc(Cl)c2)CC1=O 4910315 DRZYTDSZSHVMBD-MRXNPFEDSA-N 365.864 4.240 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(C)cc2)C[C@H]1c1cccc(OC)c1 4920090 ZVVVKJSVHCCOLC-UNMCSNQZSA-N 364.441 4.323 30 40 FIEB CCc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(OC)cc2OC)S1 5376432 NCQYZTBUIYYARG-WQRHYEAKSA-N 368.458 4.158 30 40 FIEB COCc1cc(C)nc(SCC(=O)Nc2ccccc2C(C)C)c1C#N 6961410 MIGTZLUYCQGWHQ-UHFFFAOYSA-N 369.490 4.262 30 40 FIEB CCN(CC)c1ccc(-c2nnc(Sc3ncccc3C#N)o2)cc1 12740763 WKQQJUXGQSXTJG-UHFFFAOYSA-N 351.435 4.001 30 40 FIEB N#Cc1c(-c2ccccc2)cc(-c2ccc(F)cc2)nc1N1CCOCC1 20082182 PUJYDBPREXPVIJ-UHFFFAOYSA-N 359.404 4.263 30 40 FIEB N#Cc1cn(CCOc2ccccc2F)c2ccc(Br)cc12 59109388 MAGVXLJCADCHAQ-UHFFFAOYSA-N 359.198 4.494 30 40 FIEB C=CCOc1ccccc1/C=C1\SC(=O)N(Cc2ccccc2)C1=O 408528835 HGEJXSOWVHIXBC-AQTBWJFISA-N 351.427 4.488 30 40 FIEB Cc1cc(/C=N\c2ccc3c(c2)OCO3)c(C)n1-c1cccc([N+](=O)[O-])c1 408787316 XLJSMVOTGJSYHR-NHDPSOOVSA-N 363.373 4.482 30 40 FIEB COc1cc(F)ccc1C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575242645 CCAAYOJQCRNUCS-UHFFFAOYSA-N 372.158 4.485 30 40 FIEB CCOc1ccc2cc(C#N)c(SCC(=O)OC3CCCCC3)nc2c1 891587 DXFOFMIBZSAYDQ-UHFFFAOYSA-N 370.474 4.473 30 40 FIEB O=[N+]([O-])c1ccc(/C=C(Cl)/C=N/Nc2ncnc3ccccc23)cc1 936510 IJNRKTVOIKUGPC-IVUQYSQLSA-N 353.769 4.216 30 40 FIEB COc1cccc(C(=O)/C=C/c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 5637571 KMPPZPCOJIFCSY-PKNBQFBNSA-N 366.417 4.490 30 40 FIEB N#Cc1ccc(-c2ccc(OC(=O)COc3ccccc3C#N)cc2)cc1 6937630 CVNXKVGJBSZTIS-UHFFFAOYSA-N 354.365 4.081 30 40 FIEB Cc1noc2c1[C@@H](c1cccnc1)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2 13550803 XFEOBHIYWPQNBN-FOIQADDNSA-N 373.412 4.042 30 40 FIEB CC(C)(C)C(=O)N1CCC(=NOCc2c(Cl)ccc3cccnc23)CC1 54209831 JFENFKDITAITEB-UHFFFAOYSA-N 373.884 4.429 30 40 FIEB Cc1cccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@H]2c2ccccc2)n1 104201763 CNACPUVRAKWGMB-YDJIHCHBSA-N 370.408 4.016 30 40 FIEB C=CCNC(=O)c1ccccc1NC(=O)c1ccccc1SCC=C 219804456 VYRLXYCBAHCPGQ-UHFFFAOYSA-N 352.459 4.133 30 40 FIEB C#CCOc1ccc2ccccc2c1/C=N/Nc1nc2ccccc2n1C 408655730 LNIOABGJJIDGEX-HZHRSRAPSA-N 354.413 4.185 30 40 FIEB S=C(N/N=C\c1cccn1-c1ccc(Cl)cc1)Nc1ccccc1 408810947 KDOKXHONJCREPX-MOSHPQCFSA-N 354.866 4.451 30 40 FIEB Cc1ccc(/N=C2\S/C(=C/c3ccc(C)c([N+](=O)[O-])c3)C(=O)N2C)cc1 408905401 AAMIVFJWWMELIW-KRICTJEJSA-N 367.430 4.445 30 40 FIEB C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)C1=O 409101835 ZBRBFSBYBKVITN-LDADJPATSA-N 368.458 4.325 30 40 FIEB Cc1cccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c1C 703370 XUIOIAJBMNTJHK-LBPRGKRZSA-N 354.475 4.379 30 40 FIEB N#CCSc1ccccc1NC(=O)COc1ccc(F)cc1Cl 3418133 PXLUAXPVCKYUHW-UHFFFAOYSA-N 350.802 4.112 30 40 FIEB CC(=O)NCc1ccc(C(=O)/C=C/c2ccccc2C(F)(F)F)s1 9053748 FPIUOCQYHASQPA-SOFGYWHQSA-N 353.365 4.299 30 40 FIEB COc1cccc(/C=C2\Oc3cc(OC(=O)C(C)(C)C)ccc3C2=O)c1 9134980 HPAOHSGDZIUBDM-WQRHYEAKSA-N 352.386 4.263 30 40 FIEB biogenic N#Cc1ccc(NC(=O)C2C[C@@H]3CCC[C@H](C2)C32SCCS2)cc1 13163597 ZTYDNGUSKVSEBC-MQVJKMGUSA-N 358.532 4.499 30 40 FIEB N#Cc1c(COC(=O)Cc2ccc(Cl)cc2Cl)cn2ccccc12 14858134 HJOOLCDGJIWLAJ-UHFFFAOYSA-N 359.212 4.404 30 40 FIEB Cc1ccc([C@@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3[nH]nc(O)c32)s1 18200789 CFXVDCWPURRYCX-MGPLVRAMSA-N 367.430 4.036 30 40 FIEB N#Cc1c(N)nc(SCC(=O)c2ccccc2)c(C#N)c1[C@H]1CC=CCC1 20813306 VTCGRQIFLANXHW-HNNXBMFYSA-N 374.469 4.206 30 40 FIEB CC(C)(C)OC(=O)n1cc(C(=O)CC#N)c2cccc(Br)c21 35605888 QODUGJFQXXDQJY-UHFFFAOYSA-N 363.211 4.283 30 40 FIEB COc1ccc2cc3c(=O)n(C)cc(/C=N\c4ccc(C)cc4)c3nc2c1 36624744 GDAPZUPQADLRLH-FMCGGJTJSA-N 357.413 4.154 30 40 FIEB N#Cc1ccc(OCCSc2nc(-c3ccc(Cl)cc3)n[nH]2)cc1 36807260 CRQNZBFALHLXAF-UHFFFAOYSA-N 356.838 4.168 30 40 FIEB C#CCN(C(=O)Nc1cc(C#N)cn1C(C)(C)C)[C@H]1CCc2ccccc21 58279301 GAWUDWUMTQKKFY-IBGZPJMESA-N 360.461 4.269 30 40 FIEB N#Cc1ccccc1NC(=S)NC(=O)/C=C/c1ccc(-c2ccccc2)o1 59294068 XNKVJKUTNVCEQM-ACCUITESSA-N 373.437 4.345 30 40 FIEB CCCCCCC[C@@]1(C)NC(=O)N(CC(=O)c2cc(C)c(C)cc2C)C1=O 101661372 XDZJWPVQLJGNOK-JOCHJYFZSA-N 372.509 4.466 30 40 FIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccccc2)cc1 102588463 JRBGVRLMAKPLHC-NHFXJNLRSA-N 370.408 4.016 30 40 FIEB O=C(Nc1ccccc1)C1=Cc2ccccc2/C(=N\Nc2ccccc2)C1=O 138425659 HOMRMBOMLJRECN-YYADALCUSA-N 367.408 4.108 30 40 FIEB Cc1ccc(C(=O)O)cc1-c1ccc(/C=N\Nc2ccc([N+](=O)[O-])cc2)o1 408913235 UGIIIHRLWQMYMH-JAIQZWGSSA-N 365.345 4.307 30 40 FIEB C#CCOc1ccc(/C=C2\Sc3ccccc3NC2=O)cc1OCC 409095917 IUPSNBICRJGTOW-UYRXBGFRSA-N 351.427 4.183 30 40 FIEB N#Cc1ccc(CNC(=O)N2CCC[C@H](c3ccc(F)c(F)c3)C2)cc1F 599071579 ZAWQTSBMYUXZGT-INIZCTEOSA-N 373.378 4.065 30 40 FIEB Cc1ccc(S(=O)(=O)N/N=C/c2ccc(-c3cccc(Cl)c3)o2)cc1 1104559 ZTXSQOORGIXCFG-UDWIEESQSA-N 374.849 4.221 30 40 FIEB CSc1nc2n(n1)[C@H](c1ccc(C(C)C)cc1)C1=C(CCCC1=O)N2 4436069 YZJTUCUXIYVORN-QGZVFWFLSA-N 354.479 4.145 30 40 FIEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@@H]3C[C@@H]3O[C@@]32C(C)=O)C1 4731214 YRLVTBXOGJMZNC-PTNUZCQYSA-N 372.505 4.217 30 40 FIEB biogenic Cc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccncc2)C3=O)cc1 5163095 BLIMVHQIAQSCTR-NDENLUEZSA-N 357.365 4.225 30 40 FIEB C#CCOc1ccc([C@H]2NN=C(c3ccccc3)S2)cc1Br 5826413 HMTQQQLCAMEVIO-KRWDZBQOSA-N 373.275 4.158 30 40 FIEB CCn1c(SCc2cc(C#N)ccc2F)nnc1-c1ccc(OC)cc1 10404142 AXSPNSFSUAMINE-UHFFFAOYSA-N 368.437 4.277 30 40 FIEB Sc1nnc(-c2cccs2)n1/N=C/c1c(Cl)cccc1Cl 13142187 GDCJVBSWVGVRKR-FRKPEAEDSA-N 355.275 4.484 30 40 FIEB Cc1ccccc1[C@@H](OC(=O)[C@H](C)Oc1ccc(C#N)cc1)C(F)(F)F 24929708 JBGZKJJJACTVJP-SUMWQHHRSA-N 363.335 4.481 30 40 FIEB COc1cc2c(cc1OC)[C@H](c1cccs1)N(CCCCC#N)CC2 58338796 MSJRFAASCSAWJJ-HXUWFJFHSA-N 356.491 4.407 30 40 FIEB C/C(=N\c1cccc(N)c1)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 100370391 UGRZIYPMFJDUFD-MFKUBSTISA-N 369.424 4.419 30 40 FIEB C=CCn1c(S[C@H]2CCCCc3ccccc32)nnc1-c1cnccn1 157826361 MPYGGUOSYIVNJF-SFHVURJKSA-N 363.490 4.481 30 40 FIEB CCOc1cc(C#N)cc(Br)c1OC(=O)/C=C/c1ccccc1 7595805 APJAMRSHTAGAKM-CMDGGOBGSA-N 372.218 4.338 30 40 FIEB O=C(CO/N=C/c1ccc(OCc2ccccc2)cc1)Nc1ccccc1 8429421 GAEMQQMLIGYOPF-HZHRSRAPSA-N 360.413 4.255 30 40 FIEB C/N=c1\scc(-c2ccc(OC(F)F)cc2)n1/N=C/c1cccs1 12603107 HMWVJQMPQKPIFO-PNOQPUHPSA-N 365.430 4.292 30 40 FIEB C=CCOc1cccc(NC(=O)C2CCN(Cc3ccccc3C)CC2)c1 39771938 RFMQOBIZDGXPLO-UHFFFAOYSA-N 364.489 4.411 30 40 FIEB C=CCN1C(=O)c2ccccc2N[C@@H]1c1cccc(OCc2ccccn2)c1 48367736 CLLNPXBDESQORH-QFIPXVFZSA-N 371.440 4.413 30 40 FIEB Cc1ccc2[nH]c3c(SCC(=O)Nc4cccc(C#N)c4)ncnc3c2c1 72331977 WMQVHOLNVVYIOK-UHFFFAOYSA-N 373.441 4.022 30 40 FIEB N#C[C@@H]1C(=O)NC(=N)[C@H](c2nc(-c3ccccc3)cs2)C12CCCCC2 102954024 BIPQNHCVEWTGLL-GDBMZVCRSA-N 364.474 4.091 30 40 FIEB CCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)cc1C#N 225754340 VNRAPMBLTFSACZ-UHFFFAOYSA-N 364.445 4.416 30 40 FIEB O=S(=O)(NCc1ccc(/C=N/c2ccccc2)o1)c1ccc(Cl)cc1 408775626 QTOCZVXVCXQFDU-UDWIEESQSA-N 374.849 4.162 30 40 FIEB C=CCN(CC=C)C(=O)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1 408999563 LRUXNTGIRSWKHX-UHFFFAOYSA-N 357.417 4.470 30 40 FIEB CN(CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCCc2ccccc21 8073155 LNIGHXQXUCXSRG-IBGZPJMESA-N 353.853 4.160 30 40 FIEB COc1ccc(/C=N/Nc2ncc(C(F)(F)F)cc2Cl)c(OC)c1 6049318 GNEDMJFUVAATTQ-QPSGOUHRSA-N 359.735 4.217 30 40 FIEB COc1ccc([C@H](/C=N/OCc2ccc(Cl)cc2)C(C)=O)cc1OC 5283714 AEXQMGUYGBLMQU-LASGFXPTSA-N 361.825 4.232 30 40 FIEB O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1cccnc1 409303777 JTILWDRUSPLQMY-UHFFFAOYSA-N 366.380 4.087 30 40 FIEB Cc1cc(C)c2c(c1)/C(=N/O)C(=O)N2Cc1ccc(OCCC(C)C)cc1 46084920 WNGHAYWPVOVLJL-ATJXCDBQSA-N 366.461 4.453 30 40 FIEB C=CCOc1ccc(NC(=S)N[C@@H](C)COc2ccccc2OC)cc1 225787671 KMTQQKFPVCNKLV-HNNXBMFYSA-N 372.490 4.014 30 40 FIEB C=CCN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)cc1 224686599 JFKHEBKLJUCAND-UHFFFAOYSA-N 351.855 4.038 30 40 FIEB COc1cccc2cc(C(=O)/C=C/c3ccc(SC)cc3)c(=O)oc12 3911105 VMPVMUZLIJTMPA-DHZHZOJOSA-N 352.411 4.420 30 40 FIEB C=CCn1/c(=N/C(=O)c2ccc(SC)cc2)sc2cccc(F)c21 101041582 AONXAJVPLMEBBI-ZZEZOPTASA-N 358.463 4.491 30 40 FIEB CCC[C@@H]1S/C(=N/N=C/c2ccco2)N(Cc2ccccc2C)C1=O 4952057 BUDBDFURVCPBJC-AVBHYHMMSA-N 355.463 4.222 30 40 FIEB CCC[C@H]1S/C(=N/N=C/c2ccccc2)N(Cc2ccccc2)C1=O 4899230 GSWGTCMMIARSJA-KQHGIQCESA-N 351.475 4.321 30 40 FIEB O=C(Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O)c1ccccc1F 5138012 FFXNXCCGAYOLRQ-ZDLGFXPLSA-N 350.301 4.254 30 40 FIEB Cc1sc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)c(C#N)c1-c1ccccc1 5175470 JEISVYDKXAUSCZ-CABCVRRESA-N 366.442 4.201 30 40 FIEB CCc1ccccc1/N=C1/NC(=O)/C(=C/c2cc(OC)ccc2OC)S1 5376450 IVGVOZADTSSWEK-PDGQHHTCSA-N 368.458 4.158 30 40 FIEB CCn1c(SCC(=O)c2ccc(C#N)cc2)nnc1-c1ccccc1C 9328154 CHNPFRHAGHOTIS-UHFFFAOYSA-N 362.458 4.120 30 40 FIEB CC(C)(C)OC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O 9530408 CZPQRBRKFKYBPN-ZDLGFXPLSA-N 370.376 4.162 30 40 FIEB C=CCn1c(C)cc(-c2csc(NC(=O)CCc3cccnc3)n2)c1C 9655198 ILUKTACLLYYWJB-UHFFFAOYSA-N 366.490 4.381 30 40 FIEB CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(C)cc1 23375113 UUSVEGLSWRDKOD-IBGZPJMESA-N 359.425 4.127 30 40 FIEB N#CC1(C(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)CCCC1 24441273 XXFLEKXLRHDZQU-IBGZPJMESA-N 357.457 4.500 30 40 FIEB CCCC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103542373 ANDCZUIWYVQUEU-UHFFFAOYSA-N 370.158 4.433 30 40 FIEB C#CCOC(=O)/C=C/c1ccc(OCc2ccccc2)c(Br)c1 226332404 DAAXNPQOQYCMLT-PKNBQFBNSA-N 371.230 4.218 30 40 FIEB Cc1cc(/N=C\c2cccn2-c2ccc(C(=O)O)cc2)cc([N+](=O)[O-])c1C 408934790 MMPUAIZBTQHABA-MTJSOVHGSA-N 363.373 4.451 30 40 FIEB C=CCNC(=O)c1ccccc1NC(=O)/C(=C/c1ccco1)c1ccccc1 409123895 IWUUIXRWHFMNRU-CAPFRKAQSA-N 372.424 4.375 30 40 FIEB CC1(C)SC(=S)N(c2ccccc2)[C@H]1/[N+]([O-])=C/c1ccccc1F 2265942 URDJBBAEQFCDGT-SDLDRHLBSA-N 360.479 4.398 30 40 FIEB C=CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1ccco1 2387556 PELULTBVIDRTKU-UHFFFAOYSA-N 368.462 4.072 30 40 FIEB CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccccn1 2692988 BJNFWOYGBKNAMW-UHFFFAOYSA-N 351.446 4.482 30 40 FIEB CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccco2)C(C#N)(C#N)[C@H]2C=Cc3ccccc3N12 5091908 YHJDCWDKXVQGJK-AQNXPRMDSA-N 371.440 4.296 30 40 FIEB C=CCN(C(=O)c1cc(OC)cc(OC)c1)c1nc2ccccc2s1 14184432 IXXRRWMUKSCEEL-UHFFFAOYSA-N 354.431 4.146 30 40 FIEB C[N+]1(CC(=O)c2ccc(Cl)cc2)CCC(C#N)(c2ccccc2)CC1 30953028 KVTDHRGHSRGCHC-UHFFFAOYSA-N 353.873 4.225 30 40 FIEB Cc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2cccnc2)cc1 102525211 ZCAPIJFGABDPPQ-YDJIHCHBSA-N 370.408 4.016 30 40 FIEB C#CCN1C(=O)S/C(=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)C1=O 208220736 IZDIPXQBHZIIHF-MFVBVHDHSA-N 354.475 4.078 30 40 FIEB Cc1c(Cl)cccc1-n1c(C)cc(/C=N/n2c(C)nnc2S)c1C 408873395 QMOXNVKUHJQOMI-DJKKODMXSA-N 359.886 4.127 30 40 FIEB COc1cc(O)c(/C=N/N=C2c3ccccc3-c3ccccc32)c(OC)c1 1710211 HNBIMHWMFCDQJK-YDZHTSKRSA-N 358.397 4.261 30 40 FIEB O=[N+]([O-])c1ccc(-c2ccc(/C=N/Nc3ncnc4ccccc34)o2)cc1 4536956 IYXDZBBOJWJIIH-SSDVNMTOSA-N 359.345 4.244 30 40 FIEB COc1ccccc1CN(Cc1cccs1)C(=O)c1cccc(C#N)c1 7596823 FRHDSPXYKHVTBN-UHFFFAOYSA-N 362.454 4.471 30 40 FIEB CCCCCCCCC(=O)Nc1sc(C(N)=O)c(C)c1C(=O)OCC 8432258 HSEZJKIMCRICMN-UHFFFAOYSA-N 368.499 4.021 30 40 FIEB CC(C)[C@@](C)(C#N)NC(=O)CNc1ccccc1Sc1ccccc1 11619661 CBZLEWYUMFUINR-HXUWFJFHSA-N 353.491 4.304 30 40 FIEB CC1(C)CC(=O)[C@H](C[C@@H]2COC(C)(C)C/C2=N\Nc2ccccc2)CO1 12861418 HPBUPLSCXWKXPB-CCPSXUOJSA-N 358.482 4.044 30 40 FIEB biogenic COc1ccc(N/C=C/C(=O)c2ccc(Br)cc2)cc1F 44843532 UVWWHWQTKXIXKP-CMDGGOBGSA-N 350.187 4.405 30 40 FIEB C=CCc1cc(/C=C2\S/C(=N\CC)N(CC)C2=O)cc(OCC)c1OC 59105090 DDXTZEPFDXIVLN-GERRWAMXSA-N 374.506 4.135 30 40 FIEB Cc1ccc(-n2nc(C)c(CC(=O)O[C@H](C#N)C(C)C)c2C)cc1Cl 72280424 OOAXSVLPSQGHCI-GOSISDBHSA-N 359.857 4.085 30 40 FIEB C=CCCCN(C)C(=O)c1cc(Br)sc1Br 95960494 TZIMSYJAKRSSGL-UHFFFAOYSA-N 367.106 4.311 30 40 FIEB C/C(=N\c1ccccc1N)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 100643587 NRYOAZLUSNSHNO-MFKUBSTISA-N 369.424 4.419 30 40 FIEB N#Cc1c(N)nc(SCc2ccc(F)cc2)nc1Cc1ccccc1F 223675539 LURGENBEUKDHER-UHFFFAOYSA-N 368.412 4.092 30 40 FIEB CC[C@H](C)[C@H](/N=C(/O)N1CCCC[C@@H]1c1nccn1CC)C(F)(F)F 331190172 KXLNQMDRYYMPKP-MJBXVCDLSA-N 360.424 4.321 30 40 FIEB C=CCc1cc(C(=O)Nc2ccccc2C(=O)NCCCC)ccc1OC 408705761 MYBJTPHKYHDGNB-UHFFFAOYSA-N 366.461 4.206 30 40 FIEB Cc1cc(/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)ccc1F 409106338 LJOGOMWYEIESCE-REZTVBANSA-N 353.147 4.261 30 40 FIEB C=CCn1c(SCc2ccc(OC)c(F)c2)nc2ccccc2c1=O 2625120 CUEFMYCPPRHFPU-UHFFFAOYSA-N 356.422 4.023 30 40 FIEB Cc1nn([C@H](C)C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1Cl 2782586 JUNUQLBKCPJZNQ-GXSJLCMTSA-N 362.886 4.103 30 40 FIEB CSc1nc2n(n1)[C@H](c1sccc1C)C1=C(CC(C)(C)CC1=O)N2 4436315 YGNFDCAKJDRVOF-ZDUSSCGKSA-N 360.508 4.028 30 40 FIEB C=CCNC(=O)CSc1nc(-c2ccc(F)cc2)nc2cc(C)ccc12 4895152 WOAGSMKQZICPCJ-UHFFFAOYSA-N 367.449 4.139 30 40 FIEB C[C@@H]1S/C(=N/N=C/c2ccco2)N(Cc2cccc3ccccc23)C1=O 4935880 QDNYYBSBHHRRTN-LOVXZMAPSA-N 363.442 4.287 30 40 FIEB CCOc1cc(/C=N/Nc2ccccc2)cc(Br)c1OCC#N 6402493 CIBNBFBPSSQTCP-UDWIEESQSA-N 374.238 4.196 30 40 FIEB O=C1Nc2ccc(Cl)cc2/C1=C/C(=O)c1ccc(Br)s1 32070765 WGXOECRJPKYNBN-TWGQIWQCSA-N 368.639 4.382 30 40 FIEB C=CCOc1ccc(C(=O)N[C@H](C)c2nc3ccccc3n2C(F)F)cc1 32786728 XPPSLYBPIYOTFS-CYBMUJFWSA-N 371.387 4.487 30 40 FIEB COc1ccc(-c2c(C#N)c(OC)nc3c2CCc2ccccc2-3)cc1OC 39380631 VOWQWWWUQJINFY-UHFFFAOYSA-N 372.424 4.412 30 40 FIEB C[C@H]1CCC[C@H](C)N1C(=O)Cn1cc(C#N)c2cc(Br)ccc21 59109392 VZEJKQKHUKWAFJ-STQMWFEESA-N 374.282 4.065 30 40 FIEB Cc1ccc(C[C@H](C#N)Sc2nnc(-c3cccnc3)n2C2CC2)cc1 74343377 NAMQVLMKIRENAW-GOSISDBHSA-N 361.474 4.210 30 40 FIEB C#CC[C@@H](NC(=O)Nc1ccc(F)cc1Br)c1ccccc1 89261532 UBEIKDGFSRBMNP-OAHLLOKOSA-N 361.214 4.474 30 40 FIEB C=CCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1cc(C)cc(C)c1 222984885 UJPXBLXGVNXCCQ-HXUWFJFHSA-N 366.461 4.015 30 40 FIEB C=CCOc1ccc(N(CC=C)S(=O)(=O)c2ccc(Cl)cc2)cc1 224721547 WLTPENDOFQRTAN-UHFFFAOYSA-N 363.866 4.286 30 40 FIEB C=CCNC(=S)Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 408978882 OCWYJSDTRVPRAN-UHFFFAOYSA-N 374.473 4.092 30 40 FIEB COc1c(F)cccc1C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575242699 FOXFCLLLUOFUSH-UHFFFAOYSA-N 372.158 4.485 30 40 FIEB CC1=C[C@H](OC(=O)c2ccccc2)[C@H](C(C)C)[C@H](O)C[C@@]2(C)O[C@H]2CC1 1543357009 LJBSCFGBDJEORR-VRRLNDPFSA-N 358.478 4.133 30 40 FIEB CO[P@](=O)(C#Cc1ccccc1)[C@](O)(c1ccccc1)C(F)(F)F 2316791 JETBBCIKNHGVGW-VOIUYBSRSA-N 354.264 4.328 30 40 FIEB O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc(F)c(F)c(F)c1F 2622529 RFRHVADOLFQRJU-UHFFFAOYSA-N 353.193 4.394 30 40 FIEB CCOc1ccc(Nc2oc(-c3ccc([N+](=O)[O-])cc3)nc2C#N)cc1 4148611 AANWPVBJVVQOLG-UHFFFAOYSA-N 350.334 4.264 30 40 FIEB Cc1cccc2cc(C#N)c(SCC(=O)N3CCc4ccccc4C3)nc12 4849048 LVRGGJXNDFCJOM-UHFFFAOYSA-N 373.481 4.092 30 40 FIEB C=CC[n+]1c(/C=C/c2ccc(OC(C)=O)c(OC)c2)ccc2ccccc21 5632155 QOZCCEADDFWDOD-FMIVXFBMSA-N 360.433 4.418 30 40 FIEB COc1ccccc1NC(=S)N/N=C(\C)c1ccccc1OC(F)F 5660343 DNPJOPKPGASTOC-SRZZPIQSSA-N 365.405 4.007 30 40 FIEB CC1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2ccc(F)cc2F)NC(=O)N1 6763776 OFIMMMBJLFFZNQ-INIZCTEOSA-N 362.763 4.129 30 40 FIEB C=CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1ccoc1C 6912063 HIMBJTWUULLBOY-UHFFFAOYSA-N 368.462 4.072 30 40 FIEB COc1ccccc1CN(Cc1cccs1)C(=O)c1ccc(C#N)cc1 7596860 APJPXZYQWHNKNX-UHFFFAOYSA-N 362.454 4.471 30 40 FIEB C#CCN1C(=O)S/C(=C\c2cc(Cl)c(OCC)c(Cl)c2)C1=O 13939698 RZNFRRMAGCLTER-WQLSENKSSA-N 356.230 4.062 30 40 FIEB C/C(=N\OCC(=O)NCc1ccco1)c1ccc(-c2ccc(F)cc2)s1 32935602 PMUHYFKVTVACIG-LPYMAVHISA-N 372.421 4.204 30 40 FIEB CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N/C1CCCCCC1 103462504 OWSGANUDKUHUCQ-MBOBHEEDSA-N 373.522 4.058 30 40 FIEB C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C(Br)=C4CC[C@@H]3[C@H]1CC[C@H]2O 263593182 AYZGVGDSHHIXQT-NCFAWOLLSA-N 353.300 4.212 30 40 FIEB Cc1ccc2c(c1)CC[C@@H](/C(O)=N/Cc1ccnc(N3CCCCC3)c1)O2 330035387 XIEMHHAKONQZJF-FQEVSTJZSA-N 365.477 4.231 30 40 FIEB O=C(O)c1ccc(/N=C/c2cc(Br)c(Br)o2)cc1 408950016 DCAFYLOTUIYDHK-GIDUJCDVSA-N 373.000 4.253 30 40 FIEB CCN1C(=O)/C(=C\c2ccc(OC)cc2)S/C1=N/c1ccc(F)cc1 409248373 QFJGIJHMNBOAMC-HWWZFDGNSA-N 356.422 4.458 30 40 FIEB CN(C)CCC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 4706237 OSDVWUHVWYZUJP-IGJOJHROSA-N 371.565 4.367 30 40 FIEB Cc1ccc(C(=O)c2ccccc2C(=O)OCc2ccc(C#N)cc2)cc1 3278782 ZJXJAANYWDLJCX-UHFFFAOYSA-N 355.393 4.455 30 40 FIEB COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(O)n2)cc1Br 26687761 WQHVJHUPWUFAOT-UHFFFAOYSA-N 373.128 4.116 30 40 FIEB Cc1ccsc1C(=O)OCC(=O)Nc1sc2c(c1C#N)CCCCC2 3320828 WJSVOGDFQMUXTR-UHFFFAOYSA-N 374.487 4.054 30 40 FIEB COc1ccc(CNc2oc(COc3cccc(Cl)c3)nc2C#N)cc1 2235361 OQXZJWNIGIJLKB-UHFFFAOYSA-N 369.808 4.399 30 40 FIEB O=[N+]([O-])c1cccnc1N/N=C/c1cccc(OCc2ccccc2F)c1 409095778 IVSXCOXTQYAWHB-WSDLNYQXSA-N 366.352 4.154 30 40 FIEB CCOc1cc(C#N)cc(Br)c1OC(=O)c1ccc(F)cc1 3563850 AGVJDQHDYNPDLD-UHFFFAOYSA-N 364.170 4.078 30 40 FIEB CC(C)(C)c1ccc(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)cc1 14183198 JBTJYODSYKLNDR-OAQYLSRUSA-N 361.489 4.007 30 40 FIEB N#Cc1nc(-c2ccco2)oc1N1CCN([C@H]2CCCc3ccccc32)CC1 95350412 KGFUZEWUCXPDLM-IBGZPJMESA-N 374.444 4.006 30 40 FIEB Cc1ccc([C@@H](CNC(=O)Nc2scc(Cl)c2C#N)N(C)C)cc1 95450299 WQIULALQTKIBAZ-OAHLLOKOSA-N 362.886 4.006 30 40 FIEB C=CCOc1ccc(/C=N/n2c(S)nnc2-c2ccccc2)cc1Cl 409057645 VVAQKXJOWMQPHE-UDWIEESQSA-N 370.865 4.334 30 40 FIEB C#CCOc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2cccc(F)c2)cc1 40266431 QJAMHPFBSFJLGX-GOSISDBHSA-N 361.376 4.147 30 40 FIEB N#CCCNC(=O)c1ccc2onc(-c3csc(-c4ccccc4)n3)c2c1 96037907 VRGDSXITHUIKKV-UHFFFAOYSA-N 374.425 4.262 30 40 FIEB Oc1c(OC(F)(F)C(F)(F)F)cccc1OC(F)(F)C(F)(F)F 95676299 OWTOTSHECDFDLA-UHFFFAOYSA-N 362.119 4.460 30 40 FIEB N#Cc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c(F)c1 14257885 SNRFFOGOPHGOEZ-UHFFFAOYSA-N 356.360 4.493 30 40 FIEB COc1cccc(/N=C/c2cc(I)cc(C)c2O)c1 16269563 DATANYSTSICDTF-RQZCQDPDSA-N 367.186 4.064 30 40 FIEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccccc1)c1c(O)n[nH]c1N2 18196464 SUEPHMDAPYHWDV-LRDDRELGSA-N 363.442 4.135 30 40 FIEB CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1Cl 3042630 ACYPXPDLYKZAKY-KRWDZBQOSA-N 359.853 4.261 30 40 FIEB CCN(CC)c1ccc(/C=N/O[C@H](C)C(=O)Nc2ccc(C)cc2)cc1 3284996 IQYCJXZBMIAVSW-HRKXOBMBSA-N 353.466 4.219 30 40 FIEB C=CCn1c(S[C@H](C)C(=O)Nc2cccc(C#N)c2)nc2ccccc21 4485646 DRMXBFUYEDFTPJ-CQSZACIVSA-N 362.458 4.213 30 40 FIEB Cc1ccc(CSc2nnc(NC(=O)c3cccc(C#N)c3)s2)cc1 6237409 UDZIEPZOQUTVTH-UHFFFAOYSA-N 366.471 4.263 30 40 FIEB CCOc1ccccc1C(=O)/C=C/c1cccc(NC(=O)C(F)(F)F)c1 11330946 YKKXVGMVPCNGDQ-ZHACJKMWSA-N 363.335 4.482 30 40 FIEB Cc1cc([C@@H](C#N)C(=O)c2cc(C)n(-c3cccc(F)c3)c2C)nc(C)n1 49406731 MQNPMPKAXIMCPD-LJQANCHMSA-N 362.408 4.130 30 40 FIEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COCC(F)(F)F)c2C#N)C1 84169488 LQCQLQKVFYDOKK-SNVBAGLBSA-N 374.428 4.288 30 40 FIEB CN(C)/C=N/C(=O)[C@@H](c1ccccc1)c1ncc(C(F)(F)F)cc1Cl 100256191 JHMDOPCRNYHEHX-WUJFOHIQSA-N 369.774 4.002 30 40 FIEB C[C@]12CC[C@@](O)(C#CCl)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2O 2049238448 WEJOBCNWKXEZFL-LZIOYECESA-N 350.930 4.321 30 40 FIEB CC(=O)/C(=C\Nc1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccccc1 2571137 NDSXWUMGJJMYEG-LFIBNONCSA-N 364.323 4.109 30 40 FIEB Cc1cc(C)c2cc(C#N)c(SCC(=O)NCc3ccccc3)nc2c1 1354355 UEJLSMCUNQPPJL-UHFFFAOYSA-N 361.470 4.132 30 40 FIEB Cc1cccc(CN2C(=O)S/C(=C\c3ccc(OCC#N)cc3)C2=O)c1 106707371 KXHFGAAIHOJQMA-PDGQHHTCSA-N 364.426 4.134 30 40 FIEB Cc1c(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2ccccn2c1CCC#N 3236232 PUQZSZICVSDDOS-UHFFFAOYSA-N 367.792 4.497 30 40 FIEB Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](C)c1cccc2ccccc12 13011999 GJOGWODKBMYKNS-INIZCTEOSA-N 374.488 4.377 30 40 FIEB COc1ccc(-c2cc(NC(=O)c3cccc(C#N)c3)ccc2OC)cc1 7639339 NKMDRTDEYBCECQ-UHFFFAOYSA-N 358.397 4.495 30 40 FIEB N#Cc1nc(-c2ccc(Br)o2)oc1NCc1cccs1 72427643 FPNNPSRPWDXKOP-UHFFFAOYSA-N 350.197 4.242 30 40 FIEB COc1cc(/C=C2/C(=O)ON=C2C)ccc1OCc1ccc(Cl)cc1 408988835 RTUGQOISSZSOLV-CXUHLZMHSA-N 357.793 4.244 30 40 FIEB COc1cc(/C=N/O)c(Br)cc1OCc1ccc(C)cc1 33411778 VRARNENPJPOWRZ-GIJQJNRQSA-N 350.212 4.153 30 40 FIEB CCN(c1ccc(CC#N)cc1)S(=O)(=O)c1ccc2ccccc2c1 225055941 ZRUUFWXHHVMQIB-UHFFFAOYSA-N 350.443 4.121 30 40 FIEB CCc1ccc(/N=C2\C(=O)N(CN3CCC[C@H](C)C3)c3ccccc32)cc1 16161419 WXVQNXPCUMIBKR-ISWCOFGISA-N 361.489 4.406 30 40 FIEB CCOc1ccc(/C=C2\S/C(=N\c3ccccc3OCC)NC2=O)cc1 5551655 GKIWGVPVTJJYFH-AQTBWJFISA-N 368.458 4.376 30 40 FIEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@]21C(=O)Nc2ccccc21 4414092 LQAGBBMWFBLBMD-JOCHJYFZSA-N 359.429 4.015 30 40 FIEB COc1ccc(-n2ccn(CN(CC#N)Cc3ccccc3)c2=S)cc1 40155487 MFFAZBTWFAZWGF-UHFFFAOYSA-N 364.474 4.000 30 40 FIEB CO[P@](=O)(C#Cc1ccccc1)[C@@](O)(c1ccccc1)C(F)(F)F 2316789 JETBBCIKNHGVGW-UPCLLVRISA-N 354.264 4.328 30 40 FIEB C/C(=N\Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 5370560 NHMIHTGJNMHFKP-DJKKODMXSA-N 368.271 4.358 30 40 FIEB C=CCn1c(SCC(=O)c2c[nH]c3ccccc23)nnc1-c1ccco1 8944540 KPONAMZAXUTVCI-UHFFFAOYSA-N 364.430 4.180 30 40 FIEB CC1CCN(c2nnc(SCc3ccc(C#N)cc3)n2C2CC2)CC1 11378653 FKYAPNNKNZLEGO-UHFFFAOYSA-N 353.495 4.013 30 40 FIEB CC(C)c1nc(OCC(=O)c2ccccc2)c(C#N)c2c1COC(C)(C)C2 12324167 YOOZXFXLRSHXEZ-UHFFFAOYSA-N 364.445 4.190 30 40 FIEB CC(C)c1cc(=O)oc2cc(OC/C(O)=N/CCc3ccccc3)ccc12 14355874 CEHQFZNNQRNSEB-UHFFFAOYSA-N 365.429 4.494 30 40 FIEB COc1ccc(-c2cc(-c3ccccc3)nc3nc(SCC#N)nn23)cc1 20635832 DMZACTMBRXIEOP-UHFFFAOYSA-N 373.441 4.083 30 40 FIEB C=CC1=N/C(=N\C(=O)C(C)C)c2ccccc2CN1/C=C(\C)Br 27094126 YLYXQUBUFXGCMG-ODRIBQRBSA-N 374.282 4.272 30 40 FIEB CCOC(=O)c1sc(N/N=C/c2cc(Cl)cc(Cl)c2O)nc1C 59483005 HPJCOFSZBFCZGS-UBKPWBPPSA-N 374.249 4.087 30 40 FIEB FC(F)(F)c1nc(N/N=C2/CCOc3ccccc32)c2ccccc2n1 61458687 YCXLYESBGVCTQV-OYKKKHCWSA-N 358.323 4.247 30 40 FIEB O=C1ON=C(c2cccs2)/C1=C/C(Br)=C/c1ccccc1 101662296 HHJZMDKGHSDMBN-QKFASICWSA-N 360.232 4.371 30 40 FIEB C[C@@H]1c2c(sc(NC(=O)[C@@H]3CCC(=O)c4cccn43)c2C#N)CC[C@H]1C 333915806 ZHSANKJETJMIRM-XUJVJEKNSA-N 367.474 4.263 30 40 FIEB O=[N+]([O-])c1ccc2c(/C=N/c3cccc4nsnc34)c(O)ccc2c1 727549 NKCMLZZKHNRMDG-GIJQJNRQSA-N 350.359 4.209 30 40 FIEB COc1ccc(CNc2oc(COc3ccc(Cl)cc3)nc2C#N)cc1 730244 DDMCGWQYUPQLDX-UHFFFAOYSA-N 369.808 4.399 30 40 FIEB N#Cc1cccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c1 2726380 CKAFCEJUHNMRHZ-UHFFFAOYSA-N 365.396 4.058 30 40 FIEB Cc1nc(SCC(=O)Nc2ccc(C#N)c(Cl)c2)c(C#N)c(C)c1C 5172354 QOJMUTFYHSPXMQ-UHFFFAOYSA-N 370.865 4.134 30 40 FIEB COc1ccc(OC)c(/C=C2\S/C(=N\c3cc(C)ccc3C)NC2=O)c1 5376459 SNAUYUHSZSSWLJ-WQRHYEAKSA-N 368.458 4.212 30 40 FIEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(N4CCCC4)o3)S2)cc1 5531863 UWQRTUMUBISLKP-VBKFSLOCSA-N 353.447 4.080 30 40 FIEB C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)Oc3ccccc3)cc21 8959544 QEDHQBUZQKSJFT-UHFFFAOYSA-N 366.417 4.235 30 40 FIEB CC/C(=N\NS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1Cl 17073739 YRUUHYMITBGJKP-OBGWFSINSA-N 357.262 4.086 30 40 FIEB N#C/C(=N/Nc1ccc(F)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 33910570 PMWPAEDBCNEJAD-JCMHNJIXSA-N 367.365 4.197 30 40 FIEB Cc1ccccc1OCCN1C(=O)/C(=N\Nc2ccccc2)c2ccccc21 46084928 PBELAGVCUNRJLC-LVWGJNHUSA-N 371.440 4.237 30 40 FIEB CC1(C)OB(c2cnc(-c3ccc(C(F)(F)F)cc3)s2)OC1(C)C 198093237 NMIVSNNEOFCMHG-UHFFFAOYSA-N 355.190 4.128 30 40 FIEB Cc1ccc(CSCCNC(=S)Nc2ccc(CC#N)cc2)cc1 225292753 AAEOBDDMGJMTTK-UHFFFAOYSA-N 355.532 4.281 30 40 FIEB Cc1cc(C)nc(Nc2ccccc2C(=O)Nc2ccc(CC#N)cc2)n1 225916337 ILLBHZRGKKVBTE-UHFFFAOYSA-N 357.417 4.155 30 40 FIEB COC(=O)c1cc(Cl)ccc1C(=O)C(F)(F)C(F)(F)C(F)(F)F 575361915 RSNVETQWMIGSCD-UHFFFAOYSA-N 366.616 4.142 30 40 FIEB COc1ccc(/C=C(/C(=O)c2ccc(Cl)cc2Cl)n2cncn2)cc1 4380068 JDSNHAKLXJLVQN-IUXPMGMMSA-N 374.227 4.475 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(F)cc2)C[C@H]1c1cccc(OC)c1 4918566 YNICVHFUYGBONU-PZJWPPBQSA-N 368.404 4.154 30 40 FIEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CCCC3)c2C#N)C1 8471134 QWKGKTHRRWUQLH-CQSZACIVSA-N 359.539 4.195 30 40 FIEB N#CCCn1cc(C(=O)CSc2ncc3ccccn23)c2ccccc21 12548113 SACWUIAZTKEHMR-UHFFFAOYSA-N 360.442 4.178 30 40 FIEB C#CCN1C(=O)S/C(=C\c2ccc(OCc3ccc(C)cc3)cc2)C1=O 15012758 NRJIVVGRZXSWPS-UYRXBGFRSA-N 363.438 4.244 30 40 FIEB CC[C@@H](C)/N=C(/S)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20097970 LAFUQJYWUTXWFY-GOSISDBHSA-N 367.562 4.478 30 40 FIEB N#Cc1ccccc1N1CCCN(Cc2ccccc2C(F)(F)F)CC1 58380807 FSKNXKGYVBTCIG-UHFFFAOYSA-N 359.395 4.289 30 40 FIEB COc1ccc2c(c1)CCc1sc(/N=C/c3ccc(O)c(OC)c3)nc1-2 59459316 XVEHUONNAFKZBJ-SRZZPIQSSA-N 366.442 4.382 30 40 FIEB O=[N+]([O-])c1ccc2c(c1)/C(=N/Nc1ccc(Cl)c(Cl)c1)C(O)=N2 5865484 BRWOTRKGPGZTBX-UHFFFAOYSA-N 351.149 4.319 30 40 FIEB CSc1ccc(/C=N/O[C@H](C)C(=O)N[C@H](C)CCc2ccccc2)cc1 6087905 DRBMKRUUBHSSJQ-ARAQSMSESA-N 370.518 4.285 30 40 FIEB CCOC(=O)C1=C(Nc2ccccc2)O/C(=C\c2cc(C)ccc2C)C1=O 7332338 FSKJWBAHLAONFC-AQTBWJFISA-N 363.413 4.130 30 40 FIEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H](C)c1ccc(F)cc1F 12782311 NYBMXIUPYCFNFU-LLVKDONJSA-N 355.344 4.020 30 40 FIEB C=CCNC(=O)c1ccccc1NC(=O)Cc1ccc(-c2ccccc2)cc1 15609196 IEHIHIFIBFFZCL-UHFFFAOYSA-N 370.452 4.451 30 40 FIEB C=CCN1C(=S)N(c2ccc(OCC)cc2)C(=O)[C@@H]1c1ccc(C)cc1 28405613 KEDSDNDLFWLAQL-IBGZPJMESA-N 366.486 4.255 30 40 FIEB O=S(O[C@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12)O[C@@H]1C[C@@H]2C[C@@H]1[C@H]1CCC[C@H]21 104117070 KJMQEAFQKVMQKB-FROXPKEHSA-N 350.524 4.248 30 40 FIEB C=CCN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(F)cc1 224919170 JCAMLBQDTZJBHQ-UHFFFAOYSA-N 359.344 4.226 30 40 FIEB OC[C@@]1(C#CC2CCCCC2)COc2ccccc2N1Cc1ccccc1 306145574 IWOPXDZBEWZXBX-DEOSSOPVSA-N 361.485 4.400 30 40 FIEB COc1cc(OC)c(/C=N/c2oc(C)c(C)c2C#N)cc1Br 408718926 BOIUFVQFAWIUQM-UFWORHAWSA-N 363.211 4.298 30 40 FIEB COc1cccc(/C=C2\SC(=Nc3ccc(C)c(Cl)c3)NC2=O)c1O 408739691 ZORFSSUQAIVMPT-NVNXTCNLSA-N 374.849 4.254 30 40 FIEB N#Cc1c(-c2ccc(Br)cc2)c(-c2ccccc2)c[nH]c1=N 408981297 VQESGHZLXXKNCR-UHFFFAOYSA-N 350.219 4.462 30 40 FIEB CCN/C(S)=N/N=C/c1ccc(OCc2ccc(C)cc2)c(OCC)c1 1969063 ZHHYJGIDLOWXGP-LPYMAVHISA-N 371.506 4.202 30 40 FIEB CCOc1ccccc1[C@@H](O)[C@@H](C#N)Sc1nc2ccccc2s1 4943974 WVMUWPXNOOIZBT-IAGOWNOFSA-N 356.472 4.413 30 40 FIEB Cc1c(Cl)cccc1-n1c(S[C@@H](C)C#N)nc2ccccc2c1=O 4978369 IWCDNJFLTAZRLV-NSHDSACASA-N 355.850 4.352 30 40 FIEB COc1cc(/C=C2\S/C(=N\c3ccc(Cl)cc3C)NC2=O)ccc1O 5006483 DFPLVNXPCQTIQP-SXGWCWSVSA-N 374.849 4.254 30 40 FIEB C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1cc(C#N)c2cc(Br)ccc21 6298937 VZEJKQKHUKWAFJ-CHWSQXEVSA-N 374.282 4.065 30 40 FIEB C#CCOc1ccc(/C=C2/C(=O)Nc3ccc(Cl)cc32)cc1OCC 6340077 LUNJHGKWPNKMPL-MHWRWJLKSA-N 353.805 4.243 30 40 FIEB O=C1CN2C(=C1c1ccccc1)NC(=O)c1c(C3CCCCC3)csc12 6589171 KTFDQSMQCLMVOQ-UHFFFAOYSA-N 364.470 4.297 30 40 FIEB C=CCn1nnnc1NCc1c(OCc2ccccc2)ccc2ccccc12 6856378 RKLPWLZBVNSOKU-UHFFFAOYSA-N 371.444 4.203 30 40 FIEB N#CC1(NC(=O)CNc2cc(Cl)ccc2Oc2ccccc2)CCCC1 9513058 PNCSFTGJQWSRBP-UHFFFAOYSA-N 369.852 4.497 30 40 FIEB COc1cc2c(cc1OC)[C@@H](c1ccccc1F)C1=C(CCCC1=O)N2 18197484 HIRCGGYONFGJFJ-HXUWFJFHSA-N 353.393 4.407 30 40 FIEB N#Cc1ccc(Cc2cnc(NC(=O)CCOc3ccccc3)s2)cc1 24841055 GKWFQZCODNRVIG-UHFFFAOYSA-N 363.442 4.013 30 40 FIEB Cc1ccc(C[C@H](C#N)Sc2nc(C)c(C)n2C[C@H]2CCCO2)cc1 32724410 PQOALOLNJSUTRT-RTBURBONSA-N 355.507 4.214 30 40 FIEB C=CCN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OCC)cc1 224581885 OSYVWGUOJWRJNZ-UHFFFAOYSA-N 351.855 4.120 30 40 FIEB C=CCOc1ccc(NC(=O)C(=O)NCCCCCCCCCC)cc1 408709207 PPQQYCIDCJUPMP-UHFFFAOYSA-N 360.498 4.447 30 40 FIEB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/Nc2nc3ccccc3[nH]2)o1 408722945 JGYHLABJSTYYTD-RGVLZGJSSA-N 361.361 4.486 30 40 FIEB Fc1cc(/C=N/c2cccc(Br)c2)ccc1N1CCOCC1 409125326 LUALUMNWXHPGCV-UDWIEESQSA-N 363.230 4.175 30 40 FIEB O=c1[nH][nH]c(=O)c2c(/N=C/c3c4ccccc4cc4ccccc34)cccc12 102976549 JMSQXXXAQNCHKF-ZMOGYAJESA-N 365.392 4.273 30 40 FIEB C/C(=N\NC(=S)Nc1ccc(Cl)cc1Cl)c1ccc(O)cc1 57556808 OXBXZMFENKOZLC-DJKKODMXSA-N 354.262 4.410 30 40 FIEB N#Cc1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccco2)cc1 3372450 KJZONVAPUWUDLX-UHFFFAOYSA-N 373.437 4.202 30 40 FIEB CC(=O)Nc1cccc(C(=O)/C=C/c2ccc(Br)cc2F)c1 12786409 CRSPSCBLAGJASZ-SOFGYWHQSA-N 362.198 4.443 30 40 FIEB COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2cccc(C#N)c2)cc1 13011202 OQFPCDDQAWFXAM-NRFANRHFSA-N 363.461 4.123 30 40 FIEB COc1ccc(N=C2NC(=O)/C(=C\c3c(C)[nH]c4ccccc34)S2)cc1 408962988 WUHFZOZNABDACM-WOJGMQOQSA-N 363.442 4.377 30 40 FIEB Cc1cc(C)nc(N/N=C\c2cccn2-c2ccc(Br)cc2)n1 408845511 GFMOIKQFVOOPML-ODLFYWEKSA-N 370.254 4.093 30 40 FIEB CCc1cc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)c2ccccc2n1 97048807 YCRAUVNOGZYLLB-UHFFFAOYSA-N 371.849 4.123 30 40 FIEB COc1ccc(/C=C/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1 408964461 HBUMFAAJRSKRMW-FKKWJZCKSA-N 350.443 4.451 30 40 FIEB N#Cc1c(OCc2cccc3ccccc23)nn(Cc2ccc(F)cc2)c1N 225843112 LPWAMNMUUYCACE-UHFFFAOYSA-N 372.403 4.257 30 40 FIEB C=CCn1/c(=N/C(=O)c2ccc(C(C)=O)cc2)sc2cc(Cl)ccc21 100874279 BIWOUBLXWUAWPX-VZCXRCSSSA-N 370.861 4.486 30 40 FIEB N#Cc1c(NC(=O)Nc2ccc([N+](=O)[O-])cc2)sc2c1CCCCC2 4079350 ADOTYFGESWFHQQ-UHFFFAOYSA-N 356.407 4.441 30 40 FIEB C/C(=N\S(=O)(=O)c1ccc(C)cc1)Nc1cc(C)c(O)cc1C(C)C 4619108 UTAKFSFKZWASAL-UHFFFAOYSA-N 360.479 4.352 30 40 FIEB COc1ccccc1-c1nnc(S[C@@H](C)C#N)n1CCc1ccccc1 5362546 SOFKJDVUQNSRED-HNNXBMFYSA-N 364.474 4.201 30 40 FIEB N#C[C@@H]1CC(C(=O)Nc2ccc(Cl)cc2)=NN1c1ccc(Cl)cc1 5569799 VXIWLXBWAUUOCH-HNNXBMFYSA-N 359.216 4.090 30 40 FIEB C=C(C)CNC(=S)NC[C@H](c1cccs1)c1c[nH]c2ccccc12 7662610 ULZOUNNQLGTBTO-INIZCTEOSA-N 355.532 4.402 30 40 FIEB C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(F)cc3)cc21 8959564 MYSPZMYWUZBMQX-UHFFFAOYSA-N 368.408 4.016 30 40 FIEB C=CCn1c(=O)c(C(=O)Nc2cccc(Cl)c2C)c(O)c2ccccc21 12414636 RIGJVFVCPFLVCV-UHFFFAOYSA-N 368.820 4.107 30 40 FIEB COc1cc(/C=C/C(=O)c2cccc(N3CCCC3=O)c2)cc(Cl)c1O 12935772 QKUOIEFUXUDMQC-BQYQJAHWSA-N 371.820 4.077 30 40 FIEB N#Cc1c(-c2ccccc2)[nH]c(SCc2cccc(Cl)c2)nc1=O 13111430 FYYOCPYBBVXDCB-UHFFFAOYSA-N 353.834 4.254 30 40 FIEB CC(C)c1cccc(C(C)C)c1NC(=O)CO/N=C(\N)c1ccccc1 15281084 QKLYFHYNQAEVPX-UHFFFAOYSA-N 353.466 4.209 30 40 FIEB C=CCNC(=O)c1ccccc1NC(=O)CCSc1ccc(Cl)cc1 15609298 YRGVMFTWRQHWPU-UHFFFAOYSA-N 374.893 4.377 30 40 FIEB CC(=O)O/N=c1\oc2ccccc2cc1C(=O)Nc1ccc(C)c(Cl)c1 20849196 HGBYCJXHNFABNO-QOCHGBHMSA-N 370.792 4.026 30 40 FIEB COc1ccc2c(c1)CCC/C2=N/OCc1cn2cc(Cl)ccc2n1 89467185 FPDJPUZRJMVDON-PYCFMQQDSA-N 355.825 4.254 30 40 FIEB Cc1ccc([C@@H](C2=C(O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)o1 100004493 VAYWSYYFZNECBO-HXUWFJFHSA-N 372.461 4.447 30 40 FIEB C=CCn1/c(=N/C(=O)Cc2cc(C)ccc2C)sc2cc(F)ccc21 100987549 HMMHEOGXFNVGBJ-XDOYNYLZSA-N 354.450 4.315 30 40 FIEB N#Cc1c(N)nc(SCc2ccc(Cl)cc2Cl)nc1C1CC1 225893957 RIDMUNJIOSLTTP-UHFFFAOYSA-N 351.262 4.407 30 40 FIEB C#CCOC(=O)c1ccc(OC)c(OCc2ccc(Cl)cc2Cl)c1 226318983 UVUVRUPKYVIDDI-UHFFFAOYSA-N 365.212 4.371 30 40 FIEB CN(C)c1ccccc1C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575242874 SGQSRRJTKLAUPC-UHFFFAOYSA-N 367.211 4.404 30 40 FIEB N#Cc1ccc(Cn2cc(Nc3cc(-c4ccccc4)ncn3)cn2)cc1 1612796101 SRLUSLLZKCVYEQ-UHFFFAOYSA-N 352.401 4.004 30 40 FIEB C=CCn1cc(C=C2C(=O)OC(c3ccccc3)OC2=O)c2ccccc21 669582 AMFLSXPIMNHFRH-UHFFFAOYSA-N 359.381 4.010 30 40 FIEB COc1ccc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)SC2=O)cc1 864679 CXTPJCZUGMGQQK-ZSOIEALJSA-N 374.805 4.318 30 40 FIEB CCC(=O)Nc1ccc(Sc2cc(C(F)(F)F)cnc2C#N)cc1 1388044 UUWRACIEXQDZRR-UHFFFAOYSA-N 351.353 4.472 30 40 FIEB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3C(=O)C[C@]4(C)C(C(C)=O)=CC[C@H]4[C@@H]3CC[C@@H]2C1 4743116 JAZBMNIJZWDVQJ-VEWLMHDZSA-N 372.505 4.265 30 40 FIEB in-vitro Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1ccc(C#N)cc1F 4748657 SOBGIIJDMJEHFT-UHFFFAOYSA-N 372.359 4.461 30 40 FIEB Cc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2cccc(C#N)c2)o1 4927190 JHDIGVAQCHVSFB-ZDUSSCGKSA-N 364.430 4.036 30 40 FIEB O=C1/C(=C/c2ccc(I)o2)Sc2ccccc21 6243148 GICAEHQILMJBEJ-XFFZJAGNSA-N 354.168 4.214 30 40 FIEB C#CCOc1ccc(C[C@H]2SC(=O)N(c3cccc(Cl)c3)C2=O)cc1 6295383 ZGQNYUVHMWBPCM-QGZVFWFLSA-N 371.845 4.163 30 40 FIEB COc1cc(/C=C2\Sc3ccccc3C2=O)c(Br)cc1O 13635700 NWFKSCJJBZDGNE-CHHVJCJISA-N 363.232 4.493 30 40 FIEB CC1(C)CC(=O)C=C(NCCCCCCNC2=CC(=O)CC(C)(C)C2)C1 17059907 FAJSGKQPSNYQHN-UHFFFAOYSA-N 360.542 4.272 30 40 FIEB COC(C)(C)CCC[C@](C)(O)C#C[C@H](C)N1CCCC[C@@H]1c1cccnc1 55142314 RBNPONNUFQLAEM-WPYKKVEZSA-N 372.553 4.347 30 40 FIEB biogenic,in-vitro O=C(/N=C1/N=C2C=CC(Cl)=CN2Cc2ccccc21)c1cccc(F)c1 103436860 DNQMUYMJAPIBGY-LYBHJNIJSA-N 365.795 4.277 30 40 FIEB O=C(/N=C1/N=C2C=CC=CN2Cc2ccccc21)c1ccc2ncccc2c1 103441328 LVWQSDRWVSIOEC-XTCLZLMSSA-N 364.408 4.119 30 40 FIEB CC(C)OC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 169795757 UHJXUCDQEJDMGY-UHFFFAOYSA-N 350.177 4.406 30 40 FIEB C=CCSc1ccccc1C(=O)Nc1ccccc1C(=O)N1CCCC1 219803876 AOQYLXJTXWPPJP-UHFFFAOYSA-N 366.486 4.453 30 40 FIEB CC(C)c1ccc2c(c1)/C(=N/Nc1ccccc1)C(=O)N2C1CSC1 223727459 FYMHYPDYZLZCIC-QOCHGBHMSA-N 351.475 4.088 30 40 FIEB C=CCOc1ccc(NC(=S)NC2(c3cccnc3)CCCC2)cc1 225868180 ZKZCFFNBAXEMAN-UHFFFAOYSA-N 353.491 4.402 30 40 FIEB COc1cccc(/C=C2/S/C(=N/c3ccccc3)NC2=O)c1OC(C)C 1008478 IFOIGDOENJLIJH-SFQUDFHCSA-N 368.458 4.374 30 40 FIEB CC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 4783181 FCBHFLRFWJSOTB-GAYBOGBZSA-N 362.485 4.032 30 40 FIEB biogenic,in-vitro Cc1ccccc1[C@@H]1C2=C(C[C@H](c3ccccc3)CC2=O)Nc2ncnn21 5271368 RFAGPWSEAWJPGS-HRAATJIYSA-N 356.429 4.002 30 40 FIEB COc1ccc(/C=C/C(=O)c2ccc(OC(F)F)c(OC)c2)cc1OC 7699263 GLJXWAAPKFCAPJ-QPJJXVBHSA-N 364.344 4.210 30 40 FIEB Cc1nc(OCC(=O)c2cn(CCC#N)c3ccccc23)c2ccccc2n1 9378912 VKMZESJNEIMWIZ-UHFFFAOYSA-N 370.412 4.068 30 40 FIEB COc1cc(/C=C/C(=O)c2nc3ccccc3s2)c([N+](=O)[O-])cc1OC 12862710 NEBNKXHWLHACOM-BQYQJAHWSA-N 370.386 4.118 30 40 FIEB C=C(Br)Cn1c([C@@H](C)NC(=O)c2ccco2)nc2ccccc21 15922083 KITBNGDMJPUFMC-GFCCVEGCSA-N 374.238 4.029 30 40 FIEB Cc1ccc([C@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3[nH]nc(O)c32)s1 18200787 CFXVDCWPURRYCX-HWPZZCPQSA-N 367.430 4.036 30 40 FIEB C[C@H]1C[C@H](C)CN(C/C(O)=N/c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 23804731 OPQVSNMRRDLLPZ-STQMWFEESA-N 374.466 4.284 30 40 FIEB N#Cc1ccc(NC(=O)CNc2cccc(OC(F)(F)F)c2)cc1Cl 24369023 WWGPABJNKZIMCG-UHFFFAOYSA-N 369.730 4.161 30 40 FIEB Cn1c(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cc(Cl)c1Cl 40089623 HAODNMOUVJCQJM-QMMMGPOBSA-N 362.138 4.236 30 40 FIEB CCc1cnc(CCNC(=O)Nc2cc(C(C)(C)C)sc2C#N)s1 89289652 USDSTUJEVPEEBW-UHFFFAOYSA-N 362.524 4.300 30 40 FIEB C=CCOc1cccc(NC(=S)NCc2ccc(OC)c(OCC)c2)c1 225771368 ABUYMICNBHEEPQ-UHFFFAOYSA-N 372.490 4.145 30 40 FIEB N#Cc1cc(N)c(Oc2ccc3c(c2)OCO3)n1Cc1ccccc1Cl 225886440 NCQGQJIDXMTVDO-UHFFFAOYSA-N 367.792 4.165 30 40 FIEB N#Cc1c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)sc2c1CCC2 4078790 JFGBEWIGEUXWHO-UHFFFAOYSA-N 369.427 4.484 30 40 FIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCc5ccccc5C4)[C@H]3C[C@@H]12 4085588 NGDNTENCUITPCQ-WKKMNAASSA-N 365.517 4.359 30 40 FIEB biogenic CN/C(=N/C(=O)c1ccc(-c2ccccc2)cc1)C(Cl)(Cl)Cl 5343068 QFJSNLVSDVFSGW-UHFFFAOYSA-N 355.652 4.482 30 40 FIEB COc1ccc(/N=C2\N/C(=N\c3ccc(OC)cc3)c3ccccc32)cc1 5695517 ARROBXXOCQYJKA-UHFFFAOYSA-N 357.413 4.464 30 40 FIEB C=CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1C1CCCCC1 6313073 STEDAVIKWOJMEY-UHFFFAOYSA-N 374.485 4.382 30 40 FIEB CCOc1ccc(-c2nnc(SCCC#N)n2-c2ccccc2F)cc1 6830371 RWLJORCAJZRLMU-UHFFFAOYSA-N 368.437 4.478 30 40 FIEB O=[N+]([O-])c1ccccc1NC(=S)N/N=C/C(Cl)=C/c1ccccc1 7986410 IZBAOAMNHWTYLG-CGZFJWOTSA-N 360.826 4.147 30 40 FIEB COCCn1c(S[C@H](C#N)Cc2ccc(C)cc2)nc2ccccc21 8390537 ZXTPNRFHKDLNAY-KRWDZBQOSA-N 351.475 4.218 30 40 FIEB COc1cc(Nc2c(C#N)cnc3ccc(F)cc23)cc(OC)c1OC 16943740 LEAWBNOCVXJFQL-UHFFFAOYSA-N 353.353 4.015 30 40 FIEB C=CCn1c(SCc2cccc(Br)c2)nnc1C1CC1 17072654 HWYQWQODGIDSOW-UHFFFAOYSA-N 350.285 4.396 30 40 FIEB COc1cccc(NC(=S)N/N=C2\CCSc3ccc(F)cc32)c1 21865939 REPMEEIEOOPJNW-HMMYKYKNSA-N 361.467 4.021 30 40 FIEB N#CCCn1cc(/C=C/C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)c2ccccc21 95381757 YHHOBJGNFQENHQ-KSDPHVGKSA-N 373.431 4.380 30 40 FIEB Cc1cccc(N/N=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)c1 100532511 PMZCSHPPTJJKSP-FLFQWRMESA-N 354.413 4.214 30 40 FIEB CC1(C)[C@@]2(C(=O)Nc3ccccc3Br)CC[C@@]1(C)/C(=N/O)C2 100867657 NOVLIIYOFSFRKJ-WLNXHHGHSA-N 365.271 4.434 30 40 FIEB C#CCOC(=O)/C=C/c1ccc(OCc2ccccc2Cl)c(OC)c1 226336044 ZKXWLYWHEILSCQ-PKNBQFBNSA-N 356.805 4.117 30 40 FIEB Fc1cc(N2CCCC2)ccc1/C=N/Nc1ccc(C(F)(F)F)cn1 409102903 UOLCTKAMRGVOHA-AUEPDCJTSA-N 352.335 4.286 30 40 FIEB C=CCN(Cc1ccc(Br)s1)C(=O)c1ccc(C#N)cc1 8036788 DYYGDFOUWLJDIJ-UHFFFAOYSA-N 361.264 4.211 30 40 FIEB CC(C)Oc1ccccc1/C=N/n1cnc2sc3c(c2c1=O)CCCC3 6539063 NWCGUONCMWTXLB-SSDVNMTOSA-N 367.474 4.006 30 40 FIEB Cc1cc(SCC(=O)Nc2ccccc2)n2c(nc3ccccc32)c1C#N 2707710 ULEVUYGBZOJDHB-UHFFFAOYSA-N 372.453 4.398 30 40 FIEB O=C(/C=C/c1ccco1)C(C(=O)/C=C/c1ccco1)=C1SCCS1 101461124 OKSSPFHSWQWTPU-KQQUZDAGSA-N 358.440 4.429 30 40 FIEB CCOc1cc(C#N)ccc1OCC(=O)N(C)Cc1ccc2ccccc2c1 12756904 XIZLERKDYJEJJP-UHFFFAOYSA-N 374.440 4.148 30 40 FIEB Cc1ccc([C@H](NC(=O)COc2cccc(C#N)c2)c2cccs2)cc1 12817897 JPJJXKKYHBKKCD-NRFANRHFSA-N 362.454 4.213 30 40 FIEB N#Cc1c(COC(=O)C2(c3ccc(Cl)cc3)CC2)cn2ccccc12 14852539 DTBSJAUMKDVEHS-UHFFFAOYSA-N 350.805 4.239 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccco2)C[C@H]1c1c(F)cccc1Cl 4919500 VLOPTDYJUKGJRK-SGTLLEGYSA-N 362.784 4.391 30 40 FIEB N#CCCn1cc(/C=C/C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)c2ccccc21 95381756 YHHOBJGNFQENHQ-XMHHWPDXSA-N 373.431 4.380 30 40 FIEB Clc1cc(Cl)c(OCC#CI)cc1Cl 1530649 CTETYYAZBPJBHE-UHFFFAOYSA-N 361.393 4.422 30 40 FIEB biogenic,world CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OC(C)=O)c(C#N)c1 225848937 RCAHCXGHJHXAFB-HXUWFJFHSA-N 360.454 4.188 30 40 FIEB C[C@@H](NC(=O)N[C@H]1CCCc2cc(C#N)ccc21)C1CCC(F)(F)CC1 594247987 IUECPMYGAFLCSG-ACJLOTCBSA-N 361.436 4.449 30 40 FIEB C=CCOc1ccc(/C=C2/SC(Nc3ccc(OC)cc3)=NC2=O)cc1 16440287 DZBIPZDPSGPJBO-QGOAFFKASA-N 366.442 4.342 30 40 FIEB C[C@@H]1CC(=O)C2=C(O1)c1c(ccc3ncccc13)N[C@H]2c1cccc(O)c1 1440469 YNCJBJIKDVIMJE-GTJPDFRWSA-N 358.397 4.196 30 40 FIEB CCCCOC(=O)c1ccc(/N=C/c2cc(C)cc([N+](=O)[O-])c2O)cc1 3059643 YEWMSZAUCWNKCR-UDWIEESQSA-N 356.378 4.316 30 40 FIEB Cc1ccccc1C(=O)NC(=S)Nc1sc2c(c1C#N)CC[C@@H](C)C2 649972 HCVKEOMJMKJSJH-LLVKDONJSA-N 369.515 4.180 30 40 FIEB N#Cc1c(NC(=S)NC(=O)c2cccs2)sc2c1CCCCC2 3096998 LLACGDGGZAAJSX-UHFFFAOYSA-N 361.517 4.077 30 40 FIEB CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nc(C)c(C)c(C)c2C#N)c1 5089144 ZZNHTIDQVCSWDR-HNNXBMFYSA-N 367.474 4.200 30 40 FIEB CCC[C@H]1C/C(=N\O)c2cc(-c3ccc(Br)cc3)nnc2C1 5193990 WLPLAFLTSSMRAN-NURVJYJKSA-N 360.255 4.447 30 40 FIEB COCCN1C(=O)/C(=C\C=C\c2ccco2)S/C1=N\c1ccccc1 5879639 GAMSGDFXXGBLRF-QHMRDMIHSA-N 354.431 4.086 30 40 FIEB C/C(=N\NC(=S)NC(C)C)c1ccc2c(c1)Nc1ccccc1S2 6317646 WIXLREFJUFNUCY-CIAFOILYSA-N 356.520 4.491 30 40 FIEB Cc1c([C@@H]2Nc3ccccc3C(=O)N2CCc2ccccc2)cc(C#N)n1C 7087889 JLUYEBANQAXBOW-JOCHJYFZSA-N 370.456 4.014 30 40 FIEB Cc1oc2nc(S[C@H](C)C#N)nc(NC(=O)c3ccccc3)c2c1C 12738371 YLFUTQFMNNAZJQ-SNVBAGLBSA-N 352.419 4.096 30 40 FIEB C=CCSc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 23299895 IFPJSZIXKJUGBJ-AWEZNQCLSA-N 370.449 4.095 30 40 FIEB Nc1cc(OC(F)(F)C(F)(F)F)ccc1OC(F)(F)C(F)(F)F 95671324 KAOFKBJKSXWOCC-UHFFFAOYSA-N 361.135 4.337 30 40 FIEB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(C(C)=O)=CC[C@H]4[C@@H]3C[C@@H]3O[C@]32C1 118917478 UYNAMKNNUDDKNG-NWEWRHPMSA-N 372.505 4.217 30 40 FIEB CCOC(=O)c1sc(OCc2cc(C(C)C)ccc2C)c(C#N)c1N 225850586 XUIJEBVEAWKCQL-UHFFFAOYSA-N 358.463 4.390 30 40 FIEB C[C@]12CC[C@@](O)(C#CCl)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@H](O)CC[C@H]12 253592073 WEJOBCNWKXEZFL-YAOKXXDHSA-N 350.930 4.321 30 40 FIEB C[C@@H](/N=C(/O)CN1CCC(n2ccnc2)CC1)c1ccc2c(c1)CCCC2 329234146 MNSVPBYKMGJDIA-QGZVFWFLSA-N 366.509 4.117 30 40 FIEB CC(=O)[C@@H]1C(=O)C=C(c2ccco2)C[C@@H]1c1cccc(Br)c1 1087878 HPQYJAGICBURBM-QAPCUYQASA-N 359.219 4.387 30 40 FIEB Oc1ccc2ccccc2c1/C=N\n1c(S)nnc1C1CCCCC1 1088901 LILNRAQFQLWKEF-NDENLUEZSA-N 352.463 4.356 30 40 FIEB CCCCN(C(=O)COc1ccccc1C#N)c1nc2ccccc2s1 2640793 NMJCUXVLDZVMMJ-UHFFFAOYSA-N 365.458 4.380 30 40 FIEB C=CCn1c(C)cc(C(=O)CSc2nnc(-c3cccs3)o2)c1C 2664508 BCCNXHWWWRAVKX-UHFFFAOYSA-N 359.476 4.377 30 40 FIEB N#Cc1cc2c(nc1SCC(=O)c1ccc(Br)cc1)CCC2 3176884 FBRYDWBAHYMZNP-UHFFFAOYSA-N 373.275 4.179 30 40 FIEB CCOc1cccc(/C=N/N=C(/C(=O)c2ccccc2)c2ccccc2)c1O 3375141 VUMSGOUTNRAJBF-ADGWQJBRSA-N 372.424 4.497 30 40 FIEB CCN1C(=O)/C(=C\c2cc(OC)ccc2OC)S/C1=N\c1ccccc1 4660313 BIHZXDRUULCZGT-BIXZQSIESA-N 368.458 4.328 30 40 FIEB C/N=c1\scc(-c2ccccc2)n1/N=C/c1ccc(Br)cc1 12602749 OXTBIKAPHUXYAH-MXPDZRDSSA-N 372.291 4.392 30 40 FIEB Cc1nc2n(n1)[C@H](c1ccc(Cl)cc1Cl)C1=C(C[C@@H](C)CC1=O)N2 22608090 OKBUKLSDQJYCIF-VPTHRUTESA-N 363.248 4.161 30 40 FIEB O=CCc1nccn1C(c1ccccc1)(c1ccccc1)c1ccccc1 58037800 MBRLMJMDPRIZOS-UHFFFAOYSA-N 352.437 4.465 30 40 FIEB CCCCCCCCC/C(=N\NC(N)=S)c1ccc(OC)c(OC)c1 100166330 WFZQRQWKUWHHMP-LTGZKZEYSA-N 365.543 4.382 30 40 FIEB CC(C)=CCC1=C(O)C(C(=O)CC(C)C)=C(O)[C@@](O)(CC=C(C)C)C1=O 104379015 VZMXLSLKOHIKTQ-OAQYLSRUSA-N 362.466 4.252 30 40 FIEB biogenic COc1ccc(Cn2c(C#N)cc(N)c2Cc2ccc(Cl)cc2)cc1 225856913 DZHMVPWNHXRQJV-UHFFFAOYSA-N 351.837 4.243 30 40 FIEB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)OCc1ccc(C#N)cc1 3260121 ZDPUASLMNKHGOI-LLVKDONJSA-N 350.201 4.376 30 40 FIEB N/C(Cc1ccc(Cl)cc1Cl)=N\OC(=O)Cc1ccc(Cl)cc1 4682066 UELLKKFKHBMXBM-UHFFFAOYSA-N 371.651 4.247 30 40 FIEB C=CCn1c(SCc2ccccc2)nnc1[C@@H]1COc2ccccc2O1 4936653 UQQLXZTZUHKSIX-SFHVURJKSA-N 365.458 4.269 30 40 FIEB N#CC1(NC(=O)CSc2ccc(Cl)c(C(F)(F)F)c2)CCCC1 5584034 KUSODHYTOVPOJT-UHFFFAOYSA-N 362.804 4.403 30 40 FIEB Cc1nn2c(C)c(C(=O)/C=C/c3ccccc3)nnc2c1-c1ccccc1 5678007 XFNGWJOHZAJJQO-BUHFOSPRSA-N 354.413 4.304 30 40 FIEB COc1ccc(C(=O)/C=C/c2ccc(OC(F)F)c(OC)c2)c(F)c1 6049112 YHGGEBHUCVBYEV-XVNBXDOJSA-N 352.308 4.340 30 40 FIEB C#CCOc1ccc(C[C@@H]2SC(=O)N(c3cccc(Cl)c3)C2=O)cc1 6295392 ZGQNYUVHMWBPCM-KRWDZBQOSA-N 371.845 4.163 30 40 FIEB C[C@H](NC(=O)COc1ccc(C#N)cc1Cl)c1cc2ccccc2o1 7858017 LOBORPBOBBVFJY-LBPRGKRZSA-N 354.793 4.214 30 40 FIEB CC(=O)NCc1ccc(C(=O)/C=C/c2csc(-c3ccccc3)n2)s1 8745612 BCXSFCSBSDUBIK-VQHVLOKHSA-N 368.483 4.404 30 40 FIEB COC(=O)c1ccc(/N=C2/S/C(=C\c3ccc(C)s3)C(=O)N2C)cc1 15010290 PGHARSQWXAFFOA-PXJVAEEZSA-N 372.471 4.077 30 40 FIEB C=CCNC(=O)c1ccccc1NC(=O)[C@H](C)Sc1ccc(C)cc1 16310820 ZWSKUUHTGMUOMW-HNNXBMFYSA-N 354.475 4.030 30 40 FIEB COc1cccc(/N=c2\c3c(c(C#N)c4[nH]c5ccccc5n24)CCCC3)c1 102891128 CMAYNWAOHDRFQS-YYDJUVGSSA-N 368.440 4.412 30 40 FIEB C=C(C)COc1cccc(C(=O)Nc2ccccc2C(=O)NCC(C)C)c1 219780707 BKPNYODSEOSTHJ-UHFFFAOYSA-N 366.461 4.280 30 40 FIEB C#CCOC(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 226336374 MEMPWKDJWBQBST-YRNVUSSQSA-N 356.805 4.117 30 40 FIEB Cc1cc(/C=N\c2ccc3c(c2)OCO3)c(C)n1-c1ccccc1C(=O)O 409216535 JCIVXSZOORERSB-JJFYIABZSA-N 362.385 4.272 30 40 FIEB Cc1cccc2cc(C#N)c(SCC(=O)N3CCCc4ccccc43)nc12 977017 TZOILJZRRDBARY-UHFFFAOYSA-N 373.481 4.486 30 40 FIEB Cc1ccc2cc(C#N)c(SCC(=O)N3CCC(C)CC3)nc2c1C 4849072 RWYKGPYSUUDKJK-UHFFFAOYSA-N 353.491 4.074 30 40 FIEB CN(C)/C=C\C(=O)c1nc2ccccc2n1Cc1ccc(C(F)(F)F)cc1 100258048 YXYFSFIWARXILP-QXMHVHEDSA-N 373.378 4.361 30 40 FIEB C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)Cc1ccc(O)cc1 56763084 LBQVQFBRIJYTAI-ZDUSSCGKSA-N 364.898 4.436 30 40 FIEB CCOC(=O)c1c(CC(C)C)csc1NC(=O)C#Cc1ccccc1 2280892 AJFKOUZTMZTGLC-UHFFFAOYSA-N 355.459 4.114 30 40 FIEB COc1ccc(/N=C\c2cc(C)n(-c3ccc(C(=O)O)cc3C)c2C)cn1 408913638 MQCYPOSTYRYKIP-JJFYIABZSA-N 363.417 4.255 30 40 FIEB C=CCOc1ccc(/C=C2/SC(Nc3ccc(O)cc3)=NC2=O)cc1 18206966 URJCKYVEGGJHFR-SFQUDFHCSA-N 352.415 4.039 30 40 FIEB COC(=O)c1ccc(C)c(/N=C/c2cccn2-c2ccc(N(C)C)cc2)c1 408960889 PJQZEOHYRURXNR-HZHRSRAPSA-N 361.445 4.389 30 40 FIEB CCc1ccccc1-n1c(C)cc(/C=N/N2C(=O)c3ccccc3C2=O)c1C 408967301 PUCFIFDELFIZBR-ZVHZXABRSA-N 371.440 4.287 30 40 FIEB C#CCOc1cccc([C@@H]2CC(O)=Nc3c2ncn3-c2cccc(F)c2)c1 40288612 VAPNJPLQLYFEAJ-SFHVURJKSA-N 361.376 4.147 30 40 FIEB C=CCN(C(=O)c1nccc2ccsc12)c1nc2c(s1)CCCC2 585123507 IOSFMTWIMABRJV-UHFFFAOYSA-N 355.488 4.464 30 40 FIEB CN(C)Cc1cc(C(=O)/C=C/c2ccc(Cl)cc2)cc(CN(C)C)c1O 16958804 RMHPAPCELXPRMF-JXMROGBWSA-N 372.896 4.065 30 40 FIEB N=C(N/N=C/c1cccc2ccccc12)N/N=C/c1cccc2ccccc12 1695738 DSIMGAKNHDMJLZ-RYQLWAFASA-N 365.440 4.475 30 40 FIEB Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCC(N)=O)n2)cc1 873654 ZOSVHYVHQJISJN-UHFFFAOYSA-N 359.454 4.173 30 40 FIEB Cc1nc(SCC(=O)Nc2cccc3cccnc23)c(C#N)c(C)c1C 3625138 ZLTGQDFVJGLJIQ-UHFFFAOYSA-N 362.458 4.158 30 40 FIEB Cc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1ccccc1 9329540 RQPISYZBHZZSAV-IERDGZPVSA-N 356.429 4.002 30 40 FIEB Cc1cccc(/N=C2/NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)S2)c1C 12032558 QBZCIVNOGSJXQC-YBEGLDIGSA-N 353.403 4.103 30 40 FIEB C=CCOc1ccc(C(=O)Nc2nc3ccc(NC(C)=O)cc3s2)cc1 12919572 ZYDSQBBVXVOLJS-UHFFFAOYSA-N 367.430 4.072 30 40 FIEB O=C1CCCC2=C1[C@H](c1ccc(-c3ccccc3)cc1)c1c(O)n[nH]c1N2 18195464 BTFZFNGBFCXIPH-SFHVURJKSA-N 357.413 4.347 30 40 FIEB COc1ccc(/C=C2/CC/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)cc1O 96973214 NWBXCODLELSDCV-TYVLLQCESA-N 351.358 4.139 30 40 FIEB O=C1C=C/C(=N/Nc2cc(C(F)(F)F)ccc2Cl)c2cccnc21 102955253 KOFFEDZMZSABKF-UUYOSTAYSA-N 351.715 4.323 30 40 FIEB C=CCN(c1ccccc1Cl)S(=O)(=O)c1ccc(SC)cc1 224974185 HQVYFBCRNQCEHW-UHFFFAOYSA-N 353.896 4.443 30 40 FIEB COc1ccc(/C=C(/C(=O)c2ccc(F)cc2)C(=O)C(F)(F)F)cc1 409345168 KSJBVGHJFIYHOJ-GDNBJRDFSA-N 352.283 4.232 30 40 FIEB Cc1ccc(/N=C/c2ccc([N+](=O)[O-])s2)cc1I 712988 IFRCRBNRAYERLC-VGOFMYFVSA-N 372.187 4.320 30 40 FIEB COc1ccc(CO/N=C2\C(=O)N(c3ccccc3)c3ccccc32)cc1 1403312 PLDDIFNRAORFEP-LNVKXUELSA-N 358.397 4.294 30 40 FIEB CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccccc1C 1456738 GABHYTKPMARSTL-IBGZPJMESA-N 359.425 4.127 30 40 FIEB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)OCc1ccc(C#N)cc1 3260119 ZDPUASLMNKHGOI-NSHDSACASA-N 350.201 4.376 30 40 FIEB C=CCn1c(S[C@@H](C(=O)NC2CC2)c2ccccc2)nc2ccccc21 6933361 AZOHUFGZDCUADJ-LJQANCHMSA-N 363.486 4.334 30 40 FIEB C=CCOc1c(Br)cc(CNCc2cccs2)cc1OC 8470106 GHMQRXVLUKJCLJ-UHFFFAOYSA-N 368.296 4.374 30 40 FIEB Cc1nn(-c2ccccn2)c2c1[C@H](c1ccsc1)C1=C(CCCC1=O)N2 13124403 YOZOMFIRZONDDD-SFHVURJKSA-N 362.458 4.202 30 40 FIEB COc1ccccc1CN/N=C/c1cc(C)n(-c2ccc(F)cc2)c1C 20762462 UDVDCYPCAYBIKG-ZVHZXABRSA-N 351.425 4.366 30 40 FIEB C#CCOc1c(Cl)cc(/C=C2/SC(=O)N(CC=C)C2=O)cc1Cl 409074279 SUBHEMQKUFCNRW-UKTHLTGXSA-N 368.241 4.228 30 40 FIEB COc1ccc(-c2nnc(CO/N=C/c3ccccc3OC(C)C)o2)cc1 22135599 UBPJOIJLORUIQC-CIAFOILYSA-N 367.405 4.083 30 40 FIEB Cc1c(C#N)c2ccccc2n1CC(=O)N1c2ccc(F)cc2CC[C@@H]1C 638295 RWTCFIAKFYAXGA-AWEZNQCLSA-N 361.420 4.328 30 40 FIEB N#Cc1ccc(NC(=O)c2ccccc2OCc2cn3ccccc3n2)cc1 24831299 IJKVPFNZUQONJT-UHFFFAOYSA-N 368.396 4.037 30 40 FIEB N#Cc1ccc(-c2ccccc2)nc1SCC(=O)c1ccc(O)c(O)c1 1438243 IPPMBINOQMNRQM-UHFFFAOYSA-N 362.410 4.006 30 40 FIEB CCN(CC)c1ccc2cc(C(=O)/C=C/c3cccc(O)c3)c(=O)oc2c1 12526706 HEHAACNMUNGCJC-DHZHZOJOSA-N 363.413 4.241 30 40 FIEB N#Cc1cccc(C(=O)Nc2ccc(Br)c3cccnc23)c1 27930305 NTOANFPQILBNMU-UHFFFAOYSA-N 352.191 4.121 30 40 FIEB COc1cc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)ccc1OCC#N 409120458 VUXXOSAGJWKNRS-ZSOIEALJSA-N 374.318 4.109 30 40 FIEB C=CCN1C(=O)N/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C1=O 409146353 SFWIOMPPVMDFJZ-GXDHUFHOSA-N 360.822 4.163 30 40 FIEB O=C(/C(=C/c1ccccc1)c1nc2ccccc2[nH]c1=O)c1cccs1 9377113 LWFUIHIBTRLEBQ-FYWRMAATSA-N 358.422 4.408 30 40 FIEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1 118928703 NHUDOBXYMZWEFY-XCMMUJMZSA-N 372.505 4.265 30 40 FIEB FC(F)(F)C(F)(F)[C@@](F)(/C=C/I)C(F)(F)F 95682084 JLNNSBACHLCUOY-GODVDRNPSA-N 371.968 4.403 30 40 FIEB CCOc1ccc(/N=C2\CCCN2C(=O)Nc2ccc(OC)cc2)cc1 16778099 VQUJABSDSYSVCS-XUTLUUPISA-N 353.422 4.452 30 40 FIEB CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3C)NC2=O)ccc1O 17307159 NYJLOUXHJJUXIS-WOJGMQOQSA-N 368.458 4.299 30 40 FIEB CCCO[C@@H](C)OCCC#CC[C@@H](C)OC(=O)CC(Cl)(Cl)Cl 1642760 FRMWUTYHVZATCK-CHWSQXEVSA-N 373.704 4.251 30 40 FIEB Cc1cc(O)ccc1/N=C/c1c(C)c(C#N)c2nc3ccccc3n2c1O 5387222 BLJWCMSEKICEJW-FOKLQQMPSA-N 356.385 4.138 30 40 FIEB COc1cc(/C=N/n2cc(-c3ccccc3)[nH]c2=S)cc(Cl)c1O 8045134 GLTVMUHXGMJFND-DJKKODMXSA-N 359.838 4.462 30 40 FIEB C=CCOc1ccc(Cl)cc1/C=N/NCc1ccc(OC)c(OC)c1 20196313 TWPJLWJDZYZMPS-LPYMAVHISA-N 360.841 4.046 30 40 FIEB C#CCOc1cccc([C@@H]2CC(O)=Nc3c2ncn3-c2cccc(OC)c2)c1 36358430 FKCKYUGKGHUFJM-IBGZPJMESA-N 373.412 4.017 30 40 FIEB CCCCCCCCCCCCS(=O)(=O)N(CCC#N)CCC#N 100932708 CMMJCKVHHCILDT-UHFFFAOYSA-N 355.548 4.366 30 40 FIEB CC1(C)OB(c2csc(-c3ccc(C(F)(F)F)cc3)n2)OC1(C)C 198091776 HKGWVNDPVJCPCD-UHFFFAOYSA-N 355.190 4.128 30 40 FIEB Sc1nnc(-c2ccc(Cl)cc2)n1N=Cc1c[nH]c2ccccc12 245241894 SSIDVJHCUGWXRD-UHFFFAOYSA-N 353.838 4.251 30 40 FIEB O=C(COc1ccc(Cl)cc1/C=N\O)Nc1ccc(Cl)c(Cl)c1 408551355 CFQOKYNLSCWEAZ-GXHLCREISA-N 373.623 4.472 30 40 FIEB CCCCCCCNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 408707746 DIDHKGITFKNHRY-UHFFFAOYSA-N 364.795 4.384 30 40 FIEB N#CCOc1ccc([C@@H]2Nc3c(C#N)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1 408762408 KFRSEFILJJKFDQ-HBFSDRIKSA-N 372.384 4.195 30 40 FIEB C=CCOc1ccc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc1 409200994 UJFBANIMZUERRM-SFQUDFHCSA-N 370.499 4.207 30 40 FIEB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N\O)cc1Cl 409256944 OINANEKHWVASAE-UWVJOHFNSA-N 353.205 4.127 30 40 FIEB COc1cc(/C=C2/Sc3ccccc3C2=O)cc(Br)c1O 656919 TYKPRMJYWXJWMX-RIYZIHGNSA-N 363.232 4.493 30 40 FIEB CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1 820517 CJMMZSRUBYIPBE-IBGZPJMESA-N 353.462 4.242 30 40 FIEB C[C@H]1CCc2c(sc(NC(=O)COc3ccc(Cl)cc3)c2C#N)C1 1959781 AYLNHJXVVDLWEL-NSHDSACASA-N 360.866 4.415 30 40 FIEB CC1=C(OC(C)C)[C@@]2(O[C@@H](C)C(c3ccccc3)(c3ccccc3)O2)C1=O 4649149 VEJMFBKFPIFTRC-GAJHUEQPSA-N 364.441 4.344 30 40 FIEB N#C[C@@H](C(=O)C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 6512613 COENYRMXXJLMLM-GFCCVEGCSA-N 367.619 4.462 30 40 FIEB C=CCOc1ccc(/C=C/C(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 9901250 WZHWTUYVALLYHL-FMIVXFBMSA-N 358.441 4.331 30 40 FIEB Cc1ccc(/C=N/N=C2\S[C@@H](C)C(=O)N2Cc2ccccc2C)cc1 33912771 YZHIHNNYLIGCBH-JIOQHACCSA-N 351.475 4.157 30 40 FIEB O=C(/C=C/c1ccccc1OCc1cccnc1)c1ccc2c(c1)OCCO2 58391740 MPAFCLBQVJEHTK-VQHVLOKHSA-N 373.408 4.328 30 40 FIEB COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)/C(=C/c2ccc(C)cc2)C1=O 59461621 QCMFYPUMLOBSAG-DEDYPNTBSA-N 361.441 4.489 30 40 FIEB Cc1ccc([S@@](=O)(=NC(C)(C)C#N)Oc2ccc([N+](=O)[O-])cc2)cc1 100703284 WKJANNHKONLOTN-VWLOTQADSA-N 359.407 4.026 30 40 FIEB CCCCCCCCn1cc(C(=O)c2cc(C)ccc2O)cc(C#N)c1=O 102988362 ICFAFAUXMBPJME-UHFFFAOYSA-N 366.461 4.326 30 40 FIEB Cc1cccc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)c1[N+](=O)[O-] 103504625 XGHNSZKKJOHMDE-KRWDZBQOSA-N 373.368 4.018 30 40 FIEB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](O)(C#CCl)CC[C@]34C)[C@@H]1CC[C@@H]2O 118914843 WEJOBCNWKXEZFL-XHPVEMRVSA-N 350.930 4.321 30 40 FIEB Cc1cc(/C=N/c2ccccc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 408857881 PISRFXNZDVRARK-WSDLNYQXSA-N 362.385 4.241 30 40 FIEB Cc1cc(C)c2cc(C#N)c(SCC(=O)N3CCC[C@@H](C)C3)nc2c1 1354341 DZFUOLLFRDTIEF-CYBMUJFWSA-N 353.491 4.074 30 40 FIEB CC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 5231964 KESGDPQFXQRYQP-KRWDZBQOSA-N 374.550 4.369 30 40 FIEB Cc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c2c(C)noc2n1 13642093 MXODBTDBDAWEPE-SECBINFHSA-N 366.446 4.150 30 40 FIEB O=C1N/C(=N\c2ccccc2)S[C@H]1Cc1cc(Cl)ccc1Cl 17178111 BKXWPKWWNAIQQW-AWEZNQCLSA-N 351.258 4.455 30 40 FIEB O=C1Oc2ccccc2[C@@H]1C/C(=N/Nc1ccccc1)c1ccccc1O 17215533 WUJJORNPCJIZED-LNUHTHKGSA-N 358.397 4.301 30 40 FIEB N#Cc1c(N)nc(SCC(=O)c2ccccc2)c(C#N)c1-c1ccccc1 20064782 YWRGUTZMDNPVNY-UHFFFAOYSA-N 370.437 4.049 30 40 FIEB Cc1cc2cc(C#N)c(SCC(=O)NCc3ccccc3)nc2cc1C 34791484 JVQASCLIUBTFGJ-UHFFFAOYSA-N 361.470 4.132 30 40 FIEB Cc1cccc2c1/C(=N/O)C(=O)N2CCCOc1ccc2ccccc2c1 46085040 QGSHTJJZDINTHB-LNVKXUELSA-N 360.413 4.142 30 40 FIEB COc1cc(Br)c(/C=C/C(=O)c2ccc(O)cc2)c(OC)c1 79107911 XGDSPQNLQAHYGZ-BQYQJAHWSA-N 363.207 4.068 30 40 FIEB O=C1/C(=C/c2ccc(OC(F)F)cc2OC(F)F)Oc2cc(O)ccc21 96920988 HTKYMYGHQXQJCG-RZNTYIFUSA-N 370.254 4.211 30 40 FIEB C/C(=N/N=C(c1ccccc1)c1ccccc1)c1ccc2c(c1)NC(=O)CO2 96997167 VJCWLBAWKLIRIT-XYGWBWBKSA-N 369.424 4.279 30 40 FIEB C=CCn1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc21 408567379 MGCYEYPRAGQBRN-YBFXNURJSA-N 365.349 4.090 30 40 FIEB Clc1ccc(/N=C\c2cc(Br)c(N3CCOCC3)o2)cc1 408842692 ALYQUHWCQYUMEW-ZDLGFXPLSA-N 369.646 4.283 30 40 FIEB CCOc1ccc(/C=N/c2ccccc2)cc1I 408904159 FQLPVBKSCRNLBN-GZTJUZNOSA-N 351.187 4.441 30 40 FIEB C=CCc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(OC)c1OCC 409089677 JOGVECHZRYWIHG-AQTBWJFISA-N 363.413 4.167 30 40 FIEB C/C(=N\OCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccccc1 4602265 IJSBYOXHSSUEPK-OEAKJJBVSA-N 367.474 4.268 30 40 FIEB C1=C(/C=N/Nc2ncnc3sc4c(c23)CCCC4)COc2ccccc21 5574799 LAROIDPIXGMTDA-AUEPDCJTSA-N 362.458 4.444 30 40 FIEB N#CCc1ccc(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1 9063210 VHUCAUCBXVFUQP-UHFFFAOYSA-N 367.880 4.257 30 40 FIEB C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](C)Oc1ccc(C#N)cc1 18890461 OVMJURIEBLLRKM-CYBMUJFWSA-N 360.866 4.255 30 40 FIEB N#Cc1c(N)nc(SCc2ccccc2)c(C#N)c1-c1ccc(O)cc1 19805695 IFPNWUPLRFRCRO-UHFFFAOYSA-N 358.426 4.072 30 40 FIEB CC1=CC(C)(C)N2C(=O)/C(=N\Nc3nc4ccccc4[nH]3)c3cc(C)cc1c32 101112067 PUOCAZAGGHEINZ-BWAHOGKJSA-N 371.444 4.230 30 40 FIEB CCOc1ccccc1/N=C\c1cc(OC)c(N2CCCC2)cc1OC 409087009 IILWOUVGTCCDMF-JCMHNJIXSA-N 354.450 4.453 30 40 FIEB C#CCOc1ccc(CNc2ccc(OCC)cc2)cc1Br 409117645 PQZAYZPNDOGPHP-UHFFFAOYSA-N 360.251 4.472 30 40 FIEB S=C(NCCc1ccccc1)N/N=C/c1c(Cl)cccc1Cl 3281556 LURCYJYDIPFUQL-RGVLZGJSSA-N 352.290 4.034 30 40 FIEB COc1cc(/C=C2\C(=O)ON=C2c2ccccc2)ccc1OCC(C)C 4351360 XNYHGBTYASGKFH-BOPFTXTBSA-N 351.402 4.075 30 40 FIEB N#C[C@@H]1C(=S)NC2=C([C@@H]1c1ccc(Cl)cc1Cl)N1CCC2CC1 5762759 HLDFYKDETNCONR-GXTWGEPZSA-N 364.301 4.085 30 40 FIEB CCC[C@H]1CCc2c(sc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)O)c2C#N)C1 5952209 BUXWHIOIEROXSL-QEJZJMRPSA-N 372.490 4.130 30 40 FIEB C=C(C)CNC(=S)NC[C@@H](c1cccs1)c1c[nH]c2ccccc12 7662608 ULZOUNNQLGTBTO-MRXNPFEDSA-N 355.532 4.402 30 40 FIEB N#Cc1ccccc1-c1ccc(CN2CCN(c3nccs3)CC2)cc1 12731532 IHKUZSTVNKJHNV-UHFFFAOYSA-N 360.486 4.004 30 40 FIEB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N/c1sc2c(c1C#N)CCCC2 18084202 XVXRYUBZNQKTKK-ORWNMUSCSA-N 362.458 4.240 30 40 FIEB CC1=C(C(=O)OC(C)C)[C@@H](c2cccs2)C2=C(CC(C)(C)CC2=O)N1 19867023 CZVPQXRYNFNUDE-GOSISDBHSA-N 359.491 4.304 30 40 FIEB CSc1nncn1/N=C/c1ccc(COc2ccc(Cl)c(C)c2)o1 36611386 PGTVTENTLKDBGD-UFWORHAWSA-N 362.842 4.016 30 40 FIEB O=C(Oc1ccc(/C=N/O)cc1Br)c1ccc(Cl)cc1 216781549 CLXRBDDQERQRHD-CAOOACKPSA-N 354.587 4.130 30 40 FIEB C=CCOc1ccc(C(=O)NCCOc2ccccc2C(C)(C)C)cc1 223719406 GBAARUUFYSYXGK-UHFFFAOYSA-N 353.462 4.358 30 40 FIEB Cc1ccc(NC(=O)COc2ccc(/C=N/Nc3ccccc3)cc2)cc1 409005180 DCTBPVKHAGYIOV-HZHRSRAPSA-N 359.429 4.459 30 40 FIEB COc1ccc(C)cc1C(=O)/C=C/c1cccc(NC(=O)C(F)(F)F)c1 11332094 XPMIZNVVIJVKAU-BQYQJAHWSA-N 363.335 4.401 30 40 FIEB O=C(/C=C/c1cnn(Cc2ccccc2Cl)c1)c1ccc2c(c1)OCO2 13011689 XOOYMXMWTLPFBV-FNORWQNLSA-N 366.804 4.210 30 40 FIEB Cc1ccc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ncnn32)cc1 5302603 QUAKICSHPSUQHK-LAUBAEHRSA-N 356.429 4.002 30 40 FIEB Cc1cc(C)c(C#N)c(S[C@H](C)C(=O)N[C@H]2CCCc3ccccc32)n1 5642989 KLLKFJWCALEYEY-BEFAXECRSA-N 365.502 4.245 30 40 FIEB CN1C(=O)/C(=C\C=C\c2ccccc2)S/C1=N\c1cccc(C(=O)O)c1 35657071 GUNWKUNLKQYPRD-HVCUFTNYSA-N 364.426 4.175 30 40 FIEB C=CCc1cc(C(=O)NCc2ccc(OC(C)C)c(OC)c2)ccc1OC 218655223 SGTMQVGAIUJZMI-UHFFFAOYSA-N 369.461 4.150 30 40 FIEB C=CCN(c1ccccc1Cl)S(=O)(=O)c1ccc(OC)c(Cl)c1 224949722 CDGYOXOCFBQSTN-UHFFFAOYSA-N 372.273 4.383 30 40 FIEB N#CCc1ccc(NC(=O)N2CC3(CCC3)[C@@H]2C2CCOCC2)c(Cl)c1 577276423 WEAINMALSQTCSG-SFHVURJKSA-N 373.884 4.219 30 40 FIEB Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=N/Nc1ccccn1 5128425 ILTMGDLQKKFQME-XQNSMLJCSA-N 360.465 4.012 30 40 FIEB c1ccc(/N=C(\N2CCCC2)N(CCN2CCCC2)c2ccccc2)cc1 16958693 CXTDIZWTRIBIJF-WCWDXBQESA-N 362.521 4.372 30 40 FIEB CCOC(=O)c1ccc(/N=C2/NC(=O)S/C2=C\c2ccccc2)cc1 5598589 YYRTXQYCQDUTQJ-VBKFSLOCSA-N 352.415 4.391 30 40 FIEB CCC[C@H]1S/C(=N/N=C/c2cccs2)N(Cc2ccccc2)C1=O 4898892 OQAVORJZMXZSSV-YXUFTKHFSA-N 357.504 4.382 30 40 FIEB CCCCn1c(SCc2ccccc2C#N)nnc1[C@@H](CC)N(C)C 7006418 DRVHLRJYXFKTGK-QGZVFWFLSA-N 357.527 4.255 30 40 FIEB N/C(=N\c1nc(-c2cccs2)cc(C(F)(F)F)n1)Nc1ccccc1 13080690 KHYQZMSXDBWGJI-UHFFFAOYSA-N 363.368 4.282 30 40 FIEB C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CNc1ccc(C#N)cc1 59951837 MWTZTZLZTCQRPR-GFCCVEGCSA-N 362.260 4.497 30 40 FIEB O=C1C(=O)N(Cc2ccccc2)[C@H](c2ccccc2)/C1=C(\O)c1ccccc1 104100316 GRIXWAPABYNXIF-JBCNATCCSA-N 369.420 4.309 30 40 FIEB N#CCOc1ccccc1/C=C1\SC(=Nc2cccc(Cl)c2)NC1=O 408818638 PWSLSTBMTVNRBH-YBEGLDIGSA-N 369.833 4.134 30 40 FIEB CCOc1ccc(/C=N\n2c(-c3ccc(C)cc3)n[nH]c2=S)cc1OC 1306981 SSNMHSHQMKVWNM-NDENLUEZSA-N 368.462 4.206 30 40 FIEB CCCN1C(=S)SC(C)(C)[C@@H]1/[N+]([O-])=C/c1ccc(SC)cc1 2260651 BXCOVZYVIBYQQN-DZBQEORWSA-N 354.566 4.186 30 40 FIEB Cc1ccccc1N/C(S)=C(/C(=O)c1cccs1)[n+]1ccccc1 3378243 WZMAMRLGEIRIIZ-UHFFFAOYSA-O 353.492 4.395 30 40 FIEB COc1cc(C#N)ccc1OCC(=O)Nc1ccc(Oc2ccccc2)cc1 4494107 CLVMBDCXJPBNJK-UHFFFAOYSA-N 374.396 4.377 30 40 FIEB CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C 4683793 NJCJHGJZWVIYPY-ACXQXYJUSA-N 370.489 4.043 30 40 FIEB COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)OCC#N)cc1 5013267 CFPTUVBXHRPQDR-JQIJEIRASA-N 370.408 4.411 30 40 FIEB Cc1sc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)c(C#N)c1-c1ccccc1 5175476 JEISVYDKXAUSCZ-LSDHHAIUSA-N 366.442 4.201 30 40 FIEB CCOP(=O)(OCC)O/N=C(/C)c1ccc(Br)cc1 5575808 MGXNKUZWBRRZNP-UVTDQMKNSA-N 350.149 4.371 30 40 FIEB C#CCSc1nc2c(c(=O)n1CC)C1(CCCC1)Cc1ccccc1-2 5719471 JJLKAIKAJJOBBC-UHFFFAOYSA-N 350.487 4.023 30 40 FIEB C/C(=N\Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccccc1O 5909632 RSAXJPFCMBIFJU-YBFXNURJSA-N 354.391 4.260 30 40 FIEB C=CCN(Cc1cccs1)C(=O)c1ccc(NC(=O)c2ccco2)cc1 9156552 NUPJJWRSYCQSOE-UHFFFAOYSA-N 366.442 4.422 30 40 FIEB CCCn1c(/N=C(\O)Cc2ccc(OC)c(OC)c2)nc2ccccc21 12697930 KHIRBIMQUQZETB-UHFFFAOYSA-N 353.422 4.294 30 40 FIEB CC[C@H](CO)Nc1nc(SC)nc(-c2ccc(C(C)(C)C)cc2)c1C#N 19820407 XGDOITRYUIJOQE-OAHLLOKOSA-N 370.522 4.217 30 40 FIEB CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nnc(-c2ccc(C#N)cc2)o1 85347766 RNQAPECNTUFZPZ-HZPDHXFCSA-N 368.437 4.159 30 40 FIEB CC1=CC(C)(C)N(C)c2ccc(/C=N/Nc3ncccc3[N+](=O)[O-])cc21 208433538 IACGJEUWPFQABM-CIAFOILYSA-N 351.410 4.068 30 40 FIEB N#CCOc1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1 409342400 CBMMKISHYIBTLU-MHWRWJLKSA-N 370.817 4.483 30 40 FIEB COc1ccc(/C=C2\CSC/C(=C/c3ccc(OC)cc3)C2=O)cc1 971470 JNRJHGLBAWJZGM-MJZABRMRSA-N 352.455 4.487 30 40 FIEB C=CCOC(=O)COc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1 2420166 ZSMCDNKVHKXYQV-UHFFFAOYSA-N 370.788 4.221 30 40 FIEB biogenic CCOC(=O)[C@H]1C(=O)C=C(c2cccc(OC)c2)C[C@@H]1c1ccccc1C 4919259 VICFHKBVNXWMKS-IFMALSPDSA-N 364.441 4.323 30 40 FIEB CC1(C)C(=O)C(C(Cl)(Cl)Cl)=C(Cl)C(=O)C1(Cl)Cl 5734261 LYAXVUWVVJCQEU-UHFFFAOYSA-N 358.863 4.201 30 40 FIEB COCCNc1oc(-c2ccc(COc3ccc(Cl)cc3)o2)nc1C#N 12418923 ZPMYCSTWGSALNM-UHFFFAOYSA-N 373.796 4.097 30 40 FIEB CN(C)[C@H](CNc1oc(-c2ccco2)nc1C#N)c1ccccc1Cl 27990991 WEHGWFNETPZIQR-OAHLLOKOSA-N 356.813 4.174 30 40 FIEB C=C(C)CSc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1 32876777 BDALBRIYSLIDBK-CQSZACIVSA-N 354.479 4.274 30 40 FIEB Cc1cc([C@H](C#N)C(=O)c2cc(C)n(-c3cccc(F)c3)c2C)nc(C)n1 49406734 MQNPMPKAXIMCPD-IBGZPJMESA-N 362.408 4.130 30 40 FIEB N#CCOc1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1 192690601 HFTUEERSAJUKDR-FOWTUZBSSA-N 358.488 4.123 30 40 FIEB C=CCSc1ccccc1C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 222721561 YUWPVNNHKVDPPP-CQSZACIVSA-N 355.459 4.227 30 40 FIEB CCN1C(=O)/C(=C\c2ccc(O)cc2O)S/C1=N\c1cc(C)ccc1C 408911776 OHRZXNMLEMOJCD-POEAGTOVSA-N 368.458 4.339 30 40 FIEB N#CCCN(C(=O)c1ccc(O[C@H]2CC2(F)F)cc1)c1ccc(F)cc1 528488602 OAXASZJVZLYZHA-KRWDZBQOSA-N 360.335 4.173 30 40 FIEB CC(C)(C)OC(=O)N1CC/C(=C/B2OC(C)(C)C(C)(C)O2)C(F)(F)CC1 1772716230 AHHJGGBYRCGMMJ-SEYXRHQNSA-N 373.249 4.210 30 40 FIEB N#C/C(=N\Nc1ccccc1F)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 4175405 UVMZHEKVJOLXBG-PXLXIMEGSA-N 367.365 4.197 30 40 FIEB CCN1C2=C(C(=O)CCC2)C(c2ccc(OC)cc2)C2=C1CCCC2=O 4545288 DCHGTZPGUYXQAB-UHFFFAOYSA-N 351.446 4.129 30 40 FIEB C=CCOc1ccc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 7380723 OXIMNFZURLEEIH-UHFFFAOYSA-N 370.880 4.176 30 40 FIEB CC(C)(C)C1CCC2(CC1)O[C@]2(C(N)=O)c1nc(-c2ccccc2)cs1 9419813 RNXJOVVLTAVHBK-KUTOWUBSSA-N 370.518 4.496 30 40 FIEB O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1ccccc1)Nc1nonc1N2 12409230 ALRHUGTWLUJUSP-YVEFUNNKSA-N 364.430 4.111 30 40 FIEB COC(=O)c1cccc(N)c1NCc1ccc(-c2ccccc2C#N)cc1 34617168 LERUETMARSWZRK-UHFFFAOYSA-N 357.413 4.206 30 40 FIEB in-vitro C=CCc1cc(CN2CCN(c3cccc(Cl)c3)CC2)c(O)c(OC)c1 58160675 SCMCPARLYGLGKZ-UHFFFAOYSA-N 372.896 4.105 30 40 FIEB Cc1cc(C)n(Cc2cccc(/C(N)=N/OCc3ccc(Cl)cc3)c2)n1 63510251 CDZIXWKEZKWELX-UHFFFAOYSA-N 368.868 4.039 30 40 FIEB Cc1nn(C)c2sc(C(=O)Nc3ccccc3SCCC#N)cc12 78568599 HWZIMLIYWRMNPH-UHFFFAOYSA-N 356.476 4.201 30 40 FIEB C=C[C@H](C)N1C(=O)S/C(=C\c2ccc(N3CCCCC3)cc2OC)C1=O 409230731 FWWXXZGEGWGKCL-HIXWQLQUSA-N 372.490 4.296 30 40 FIEB Cc1cc(C)c2cc(C#N)c(SCC(=O)N3CCC[C@H](C)C3)nc2c1 1354344 DZFUOLLFRDTIEF-ZDUSSCGKSA-N 353.491 4.074 30 40 FIEB CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)[C@H](C)C[C@]4(C)[C@@]3(F)C(=O)C[C@]12C 4721193 CCIHHCZWSDAQGO-ROXMKHFISA-N 360.469 4.241 30 40 FIEB in-vitro C#CCN(C(=O)CSc1ccc(OCC)cc1)[C@@H]1CCc2ccccc21 32933474 YMIQPCVEBNKFAW-OAQYLSRUSA-N 365.498 4.327 30 40 FIEB O=C(/C=N\Nc1ccccc1)c1ccc(C(=O)/C=N/Nc2ccccc2)cc1 100369026 UDYKGAPTZNMEDF-REPVBDINSA-N 370.412 4.248 30 40 FIEB Cc1ccc([C@H](NCC(=O)Nc2cccc(C#N)c2)c2ccccc2)cc1 57778789 VQYSPAMJZSUKKA-HSZRJFAPSA-N 355.441 4.184 30 40 FIEB COc1ccccc1/C=[N+](\[O-])[C@@H]1N(c2ccccc2)C(=S)SC1(C)C 2260603 DOQVAXCYHYKXPX-VJOZSWGJSA-N 372.515 4.267 30 40 FIEB COc1ccc(Oc2ccc3[nH]c4c(c3c2)CCC/C4=N\CCO)cc1 3905756 XDRWCUAAZRMCDC-LSDHQDQOSA-N 350.418 4.087 30 40 FIEB CCCc1cc(-c2nc(C)c(/C(C)=N/N=c3/[nH]c(C)cs3)s2)ccn1 8767881 XZVPRIIBOIHPPY-LPYMAVHISA-N 371.535 4.489 30 40 FIEB FC(F)(F)c1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1 409031638 JUYONBJLTMYQTI-IOMHPIHLSA-N 356.163 4.419 30 40 FIEB C=CCSc1nnc(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)s1 39989282 WSLYASOPXPNGSL-JTQLQIEISA-N 369.899 4.184 30 40 FIEB COc1ccccc1/C=C\C=Nn1c(S)nnc1-c1ccc(C)cc1 245241630 LOFDWLBWXYICSC-SVDASAMWSA-N 350.447 4.098 30 40 FIEB Cc1nc(C#N)c(NCc2cn(-c3ccccc3)nc2-c2ccccc2)o1 606422478 UBBBGDXJAHWOTD-UHFFFAOYSA-N 355.401 4.320 30 40 FIEB C=CCc1cc(C(=O)NCCCc2ccccc2OCC)ccc1OC 13675316 MQUGXKCMTCCLQY-UHFFFAOYSA-N 353.462 4.185 30 40 FIEB CCOc1ccc(-n2c(C)cc(/C=N/Nc3nc(C)cc(C)n3)c2C)cc1 5568913 YZDIJADUGDVYPZ-LPYMAVHISA-N 363.465 4.346 30 40 FIEB CCCC[C@@H]1S/C(=N/N=C/c2ccco2)N(Cc2ccccc2)C1=O 4935685 XBKHCMRDLYHWMG-XVEDWSDESA-N 355.463 4.304 30 40 FIEB C[C@@H]1CCCN(CN2C(=O)/C(=N\c3ccc(Cl)cc3)c3ccccc32)C1 16609071 JSUKZRDGPINOTD-LYLVPTPKSA-N 367.880 4.497 30 40 FIEB CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1cccnc1 921363 FSXSLTZZUMNOKK-UHFFFAOYSA-N 351.446 4.482 30 40 FIEB CC1(C)SC(=S)N(Cc2ccccc2)[C@H]1/[N+]([O-])=C\c1ccccc1 4785835 BCSMBPWJOFUQOD-JPOGYNCRSA-N 356.516 4.254 30 40 FIEB CCOc1ccccc1/C=N/Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 6539578 MBPUKRINQKJCLH-KEBDBYFISA-N 353.300 4.458 30 40 FIEB N#CCOc1ccccc1/C=C(\CC(=O)O)c1nc2ccccc2s1 13350839 HEQIBZLRXDHQDP-SDNWHVSQSA-N 350.399 4.214 30 40 FIEB COc1ccc(/C=N/Nc2cc(C)c3ccccc3n2)c(OC)c1OC 24036233 VACDGRZAVYNHBX-CIAFOILYSA-N 351.406 4.015 30 40 FIEB COc1ccc(-c2cs/c(=N\N=C\c3ccccc3Cl)[nH]2)cc1F 48314705 OEMBAKAGZPLGCL-AWQFTUOYSA-N 361.829 4.479 30 40 FIEB CCOc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)ccc1OC 59105938 VXBPBQKXVWBNAP-GZTJUZNOSA-N 372.421 4.125 30 40 FIEB Cc1cc(C(=O)O)ccc1/N=C/c1ccccc1I 408551589 OEVKZJKQDQHPLG-RQZCQDPDSA-N 365.170 4.048 30 40 FIEB N#CCOc1ccccc1/C=C1\SC(=Nc2ccc(Cl)cc2)NC1=O 408820727 ZKXSDDSVGSIMFI-WJDWOHSUSA-N 369.833 4.134 30 40 FIEB COc1ccc2c(c1)Cc1sc(/N=C\c3cccc(OC)c3OC)nc1-2 409046853 KZXAKNSCVLFFHR-NHDPSOOVSA-N 366.442 4.491 30 40 FIEB Cc1oc(-n2c(C)cc(/C=N/Nc3nc4ccccc4[nH]3)c2C)c(C#N)c1C 409179623 MTRYDVZVAKNWHM-FOKLQQMPSA-N 372.432 4.498 30 40 FIEB CO/C(O)=N/c1nnc(CCCOc2ccc(Cl)cc2Cl)s1 2589222 NNQSDWQTCDBTBZ-UHFFFAOYSA-N 362.238 4.048 30 40 FIEB CCCCSc1nnc2n(/N=C/c3ccc(Cl)cc3Cl)cnn12 3092642 HUKWFTSZHBQKGD-CAOOACKPSA-N 369.281 4.007 30 40 FIEB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C(C)=O)CC[C@H]4[C@@H]3C[C@@H]3O[C@@]32C1 4692245 JRCRFBRVIWOWLF-HPHOVTADSA-N 374.521 4.297 30 40 FIEB CCN1CCN(c2ccc(/N=C/c3c(C)n(C)c4ccccc34)cc2)CC1 4739525 JNZZBWCALNDTCF-JJIBRWJFSA-N 360.505 4.379 30 40 FIEB COc1ccc(Cl)cc1NC(=O)c1cc(C2CC2)nc(SC)c1C#N 9315690 QFBJBXATDSPABA-UHFFFAOYSA-N 373.865 4.467 30 40 FIEB C=CCSc1nnc(NC(=O)CSc2ccc(Cl)cc2)s1 16007943 NHJIHWASKJWJSS-UHFFFAOYSA-N 357.913 4.200 30 40 FIEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)/C=C/c3ccco3)c2)c1 32905878 FAVCUKODLRDLIS-OUKQBFOZSA-N 371.392 4.118 30 40 FIEB C#CCCNC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 72282558 CMTFNDOUTMQBJG-UHFFFAOYSA-N 367.302 4.177 30 40 FIEB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(C(C)=O)=CC[C@H]4[C@@H]3C[C@H]3O[C@@]32C1 118917475 UYNAMKNNUDDKNG-PLYAKVMLSA-N 372.505 4.217 30 40 FIEB C=CCNC(=O)C1(Cc2cccc(-c3ccc(F)cc3)c2)CCOCC1 257315708 VCMNZJKDGMBNGT-UHFFFAOYSA-N 353.437 4.134 30 40 FIEB O/C(=N/[C@@H]1CC=C(c2ccc(F)cc2)CC1)N1CCC(c2cc[nH]n2)CC1 329276430 KHOOFYIGGCGTHG-LJQANCHMSA-N 368.456 4.278 30 40 FIEB N#Cc1ccccc1NC(=S)NC(=O)c1cccc2c(Cl)cccc12 408625860 ZKKPWXXGSXHISP-UHFFFAOYSA-N 365.845 4.492 30 40 FIEB CC1=NOC(=O)/C1=C/c1ccc(OCc2ccccc2)c(Br)c1 408934670 BMZZKHAWCHPGPI-OQLLNIDSSA-N 372.218 4.344 30 40 FIEB CC1(C)[C@@H]2CC[C@]1(C)C(=O)/C2=C\C(=O)O/C=C1\C(=O)[C@]2(C)CC[C@@H]1C2(C)C 100362722 PWHGOAZEQDQCIY-YGYSUYFRSA-N 370.489 4.390 30 40 FIEB CC(=O)[C@H]1CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@@]3(F)C(=O)C[C@]12C 118922883 CYCSYRCCBAOROW-COOGFRGXSA-N 358.453 4.161 30 40 FIEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)C/C=N\O 118924050 WSHRNOHWOVLOQJ-HIVGMXHPSA-N 359.510 4.346 30 40 FIEB Cc1ccc(C)c(-n2c(C)cc(/C=N\Nc3ccc([N+](=O)[O-])cn3)c2C)c1 408750889 TUFONMZCTWWCIY-JJFYIABZSA-N 363.421 4.460 30 40 FIEB O=C(Cc1c(F)c(F)c(F)c(F)c1F)Nc1ccccc1OC(F)F 9950473 JGOSMWJQHOYXMQ-UHFFFAOYSA-N 367.220 4.165 30 40 FIEB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(C(C)=O)=CC[C@H]4[C@@H]3C[C@H]3O[C@]32C1 118917477 UYNAMKNNUDDKNG-IKFOUQIBSA-N 372.505 4.217 30 40 FIEB C=CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224948259 QVYYQTYPZJKSJJ-UHFFFAOYSA-N 365.882 4.347 30 40 FIEB C=CCc1cc(C(=O)Nc2ccc3c(c2)sc(=O)n3CC)ccc1OC 225097546 WQXHFRQUKKADNG-UHFFFAOYSA-N 368.458 4.072 30 40 FIEB CC1(C)OB(c2cnc(-c3ccccc3C(F)(F)F)s2)OC1(C)C 198095590 IZSBCWDEDPRDKM-UHFFFAOYSA-N 355.190 4.128 30 40 FIEB N#CCC1(COc2ccc(Oc3ncc(Br)cn3)cc2)CC1 596274917 XPJMWPLXLYOYCE-UHFFFAOYSA-N 360.211 4.104 30 40 FIEB CCOc1ccccc1/C=N/n1c(-c2ccccc2)nc2ccccc2c1=O 1531385661 XGCDRMTYIZURPA-LFVJCYFKSA-N 369.424 4.344 30 40 FIEB Cc1nc(N/N=C/c2ccc(Cl)cc2)c2cnn(-c3ccccc3)c2n1 5259486 BBWLNMFBJPIISY-SRZZPIQSSA-N 362.824 4.223 30 40 FIEB C=CCn1c(SCC(C)C)nc2sc3c(c2c1=O)CC(C)(C)OC3 1307314 NCFHRHQYZGYAQI-UHFFFAOYSA-N 364.536 4.243 30 40 FIEB Cc1ccc2nc(SCC(=O)N3CCc4ccccc43)c(C#N)cc2c1 4848873 VKYNGZGRPAUKAB-UHFFFAOYSA-N 359.454 4.096 30 40 FIEB Clc1ccc2c(N/N=C/c3ccc(N4CCOCC4)cc3)ccnc2c1 5603529 UHGCUNJHQYQUQS-OEAKJJBVSA-N 366.852 4.171 30 40 FIEB CCN(CCC#N)c1ccc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)c(C)c1 7088320 FKUKUNYGYVELQX-JOCHJYFZSA-N 374.488 4.464 30 40 FIEB O=C(/C=C/c1ccc(Br)cc1)c1cccc(N2CCCC2=O)c1 12772074 ZVDXMHBUBXOSHE-DHZHZOJOSA-N 370.246 4.472 30 40 FIEB C[C@@H](NC(=O)CCc1ccc(C#N)cc1)c1ccc(OC(F)(F)F)cc1 31952065 PBGWPXPHBPJUFX-CYBMUJFWSA-N 362.351 4.267 30 40 FIEB CN1/C(=C\C(=O)COC(=O)c2ccccc2Cl)C(C)(C)c2ccccc21 32942907 FIAWPFFOVRCRIE-UNOMPAQXSA-N 369.848 4.377 30 40 FIEB N#Cc1ccsc1NC(=O)CSCc1coc(-c2ccccc2)n1 48365962 ZOEUTPZJGFHGDO-UHFFFAOYSA-N 355.444 4.147 30 40 FIEB COC(=O)c1cc(S[C@@H](C)C(=O)Nc2cccc(C#N)c2)ccc1Cl 79058156 ZIPUBHZXAYBELF-NSHDSACASA-N 374.849 4.118 30 40 FIEB C=CCN(c1cccc(C)c1)S(=O)(=O)c1ccc(Br)cc1 224723173 GQRVANGXONWEKN-UHFFFAOYSA-N 366.280 4.139 30 40 FIEB CCN(CC)c1ccc(NN=C(C#N)c2nc3c(s2)CCCC3)cc1 253433683 WOCDEWYTGMXDNK-UHFFFAOYSA-N 353.495 4.208 30 40 FIEB CCN(CC)c1ccc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)o1 408815156 UNFWQOXULUVVSA-VBKFSLOCSA-N 355.463 4.326 30 40 FIEB CN(Cc1ccccc1)c1oc(COc2ccc(Cl)cc2)nc1C#N 934572 FQCAQWLOEDXVLQ-UHFFFAOYSA-N 353.809 4.415 30 40 FIEB Cc1ccccc1CN1C(=O)CS/C1=N/N=C/c1ccc(Cl)cc1 2338186 VVTOLQORACCKGK-GSTIJIFKSA-N 357.866 4.114 30 40 FIEB CC(=O)c1ccc(/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)cc1 3150725 NWLZZZCQDKPSCC-CAOOACKPSA-N 363.167 4.016 30 40 FIEB CCOc1ccc(/C=C2\S/C(=N\c3ccc(OCC)cc3)NC2=O)cc1 5551657 FKVGHVSKVQQKOX-AQTBWJFISA-N 368.458 4.376 30 40 FIEB CCN(Cc1nc(O)c2ccc(Cl)cc2n1)Cc1cc(C#N)ccc1F 12620376 RPBFDKZTXVZQII-UHFFFAOYSA-N 370.815 4.022 30 40 FIEB COC(=O)[C@H](C#N)c1nc2ccccc2nc1Oc1ccc2ccccc2c1 36391594 CIKQWZPKOPLIMU-QGZVFWFLSA-N 369.380 4.355 30 40 FIEB O/C(CN1CCC(c2nc3ccccc3s2)CC1)=N\c1nccs1 49772099 YOCUAXOILLBBRU-UHFFFAOYSA-N 358.492 4.220 30 40 FIEB Cc1cc(C)n(-c2ccc([C@H](C)Nc3ccc([N+](=O)[O-])cc3C#N)cc2)n1 79106190 HREFVYIITXWOLQ-HNNXBMFYSA-N 361.405 4.442 30 40 FIEB C=C(C)COc1cccc(C(=O)NCc2ccc(OCC)c(OCC)c2)c1 219785643 ALWSGVRWNHTCKG-UHFFFAOYSA-N 369.461 4.369 30 40 FIEB C=CCN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 224688429 RFAKULKESYETOD-UHFFFAOYSA-N 351.855 4.038 30 40 FIEB Cc1cc(/C=N/OCc2ccccc2C#N)c(C)n1-c1ccc(C#N)cc1 408593581 BTOLQSMYCHYZQJ-AFUMVMLFSA-N 354.413 4.388 30 40 FIEB Cc1ccc(/N=C2\S/C(=C/c3ccc(N(C)C)cc3)C(=O)N2C)cc1 408906620 CKDASMAPGXSIBL-BIXZQSIESA-N 351.475 4.295 30 40 FIEB Cc1ccc(COc2ccccc2/C=N/Nc2ncccc2[N+](=O)[O-])cc1 409107723 QFARNXMPKCTRCS-LPYMAVHISA-N 362.389 4.323 30 40 FIEB N#CCCN(C(=O)c1ccc(O[C@@H]2CC2(F)F)cc1)c1ccc(F)cc1 528488629 OAXASZJVZLYZHA-QGZVFWFLSA-N 360.335 4.173 30 40 FIEB CCc1c(C)sc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c1C#N 2740343 BLKFCSMIWBSHTK-UHFFFAOYSA-N 360.307 4.438 30 40 FIEB Cc1cccc(C)c1OCc1nnc(SCC#N)n1-c1ccccc1 3381539 YXZXRFKOHAZVAZ-UHFFFAOYSA-N 350.447 4.079 30 40 FIEB N#CCCSc1ccccc1NC(=O)c1cc(=O)c2ccccc2o1 3893262 XFWXJXYKBDJFQI-UHFFFAOYSA-N 350.399 4.051 30 40 FIEB N#C/C(=N\Nc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(F)cc2)cs1 4175444 NQMAMGUCTCDHCU-PXLXIMEGSA-N 367.365 4.197 30 40 FIEB CCCCCCCC1=NN2C(=N)/C(=C/c3ccc(O)cc3)C(=O)N=C2S1 8452998 UFMIKUSRHPFGTK-JGZHAYGJSA-N 370.478 4.372 30 40 FIEB CC(=O)COc1ccc2c(c1C)O/C(=C/c1cn(C)c3ccccc13)C2=O 9423421 CLDIFSXWWHLIBV-KEBDBYFISA-N 361.397 4.071 30 40 FIEB CCCCCCCCCCCCNC(=O)C(=O)NCc1ccc(F)cc1 408708133 VEXXPGDBTCZCGN-UHFFFAOYSA-N 364.505 4.479 30 40 FIEB CCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)S/C1=N/c1ccc(F)cc1 409228072 TTYQTGDOVJGUMI-YYUDZJCFSA-N 371.393 4.358 30 40 FIEB N#Cc1ccccc1Oc1ccccc1COC(=O)CCCn1ccnc1 1587338110 MWXSZZLWYHLODK-UHFFFAOYSA-N 361.401 4.071 30 40 FIEB CC1(C)OB(C2CCN(Cc3ccc(-c4cccnc4)o3)CC2)OC1(C)C 1776007433 CAFWISZQHCPVLH-UHFFFAOYSA-N 368.286 4.400 30 40 FIEB O=[N+]([O-])c1cc2oc3c(c2c(/C=N/c2ccccc2O)c1O)CCCC3 2267146 ZJXCWMDYXCDCNB-KEBDBYFISA-N 352.346 4.382 30 40 FIEB Cc1cc(C)c2nc(SCC(=O)N3CCC[C@H](C)C3)c(C#N)cc2c1 4849140 UGCWCYXUEYBJIA-ZDUSSCGKSA-N 353.491 4.074 30 40 FIEB C=CCOc1cccc(NS(=O)(=O)c2ccc(OC)c(C(C)C)c2)c1 7360663 FJGQPAZZLBPYTP-UHFFFAOYSA-N 361.463 4.184 30 40 FIEB CCOc1c(Cl)cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1OC 23986232 IHINHQWBLFIPTJ-VXLYETTFSA-N 364.785 4.206 30 40 FIEB CC/C(=N\NC(=S)Nc1ccc(C)cc1C)c1ccc(OC)c(OC)c1 25388432 WEWTXWCXWCDEFI-CJLVFECKSA-N 371.506 4.421 30 40 FIEB COc1ccc(-c2nc(C)c(/C(O)=N/c3nnc(C4CC4)s3)s2)cc1 25444817 WBCLFDFNEBZMCS-UHFFFAOYSA-N 372.475 4.492 30 40 FIEB O=C1N/C(=N\N=C\c2ccc(Cl)cc2Cl)S[C@@H]1c1ccccc1 59474390 LZCFOYVSOHUEHE-MRGVZLDZSA-N 364.257 4.288 30 40 FIEB C=CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)cc1 225932801 CMORVTYZCKWHGX-UHFFFAOYSA-N 351.446 4.247 30 40 FIEB Cc1nn([C@@H](C)C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1Cl 2782585 JUNUQLBKCPJZNQ-ONGXEEELSA-N 362.886 4.103 30 40 FIEB COc1ccc(/C=C/c2nc(C#N)c(NCc3ccccc3)o2)cc1OC 8493437 IXCULGPLIHNQRZ-PKNBQFBNSA-N 361.401 4.346 30 40 FIEB CCOc1ccccc1-n1c(SCCCC#N)nnc1-c1cccnc1 3504314 JDIJABRTBUKFHS-UHFFFAOYSA-N 365.462 4.124 30 40 FIEB C#CCn1c([C@H]2CC(=O)N(c3cc(Cl)ccc3C)C2)nc2ccccc21 4033329 MMYKOMFQHHQVRN-HNNXBMFYSA-N 363.848 4.152 30 40 FIEB CN(C)C(=O)[C@H](Oc1ccc(-c2ccc(C#N)cc2)cc1)c1ccccc1 5461482 GYDXPRLZZAQVIT-JOCHJYFZSA-N 356.425 4.434 30 40 FIEB COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(C(C)(C)C)cc1 19901593 LYEVJTFKFBDLKW-IBGZPJMESA-N 353.462 4.125 30 40 FIEB CN1C(=O)/C(=C\c2ccccc2Cl)S/C1=N\c1cccc(C(=O)O)c1 409071666 OVSLVHRRQXWDDP-GOIJELEESA-N 372.833 4.272 30 40 FIEB CC(=O)Nc1sc(N/N=C\c2cccc(O)c2)nc1-c1ccc(C)cc1 32694020 LYVCONQNUJJAHN-JAIQZWGSSA-N 366.446 4.229 30 40 FIEB C=CCOc1cccc(NC(=S)NCc2ccc(N3CCCC3)cc2)c1 225425406 RSLBXYYNBBJFTN-UHFFFAOYSA-N 367.518 4.338 30 40 FIEB O=C1/C(=C/c2ccccc2)CN(C(=O)C(F)(F)F)C/C1=C\c1ccccc1 5889681 QAGJOBCHMKIKSL-JYFOCSDGSA-N 371.358 4.127 30 40 FIEB Clc1ccccc1CN/N=C/c1ccc(I)cc1 8811492 GSVRZJRGCJEPGI-RQZCQDPDSA-N 370.621 4.068 30 40 FIEB CCCOc1ccccc1/C=N/n1cnc2sc3c(c2c1=O)CCCC3 408601429 JUKDIYTYYCQNMA-WSDLNYQXSA-N 367.474 4.008 30 40 FIEB CC[C@@H](C)c1ccc(OCCOc2ccc(/C=N/n3cnnc3)cc2)cc1 4499396 PUYPTMNOBVXRLQ-PTZPRWATSA-N 364.449 4.132 30 40 FIEB COc1ccccc1[C@H]1[C@H](C(=O)C23CC4CC(CC(C4)C2)C3)C1(C#N)C#N 4901528 PTDSOIWLJOGFNU-LWRZALCUSA-N 360.457 4.228 30 40 FIEB Cc1cc(NC(=O)[C@@H](SCc2cccc(C#N)c2)c2ccccc2)no1 9882917 KHGZCVJFQLSBTA-IBGZPJMESA-N 363.442 4.468 30 40 FIEB CN(Cc1ccc(C#N)cc1)C(=O)c1c[nH]c2cccc(Br)c12 95448983 YSTBNYLJQPLIOW-UHFFFAOYSA-N 368.234 4.074 30 40 FIEB CCOC(=O)/C(=N\Nc1ccccc1Cl)N1c2ccccc2C[C@H]1C 12524424 JAYXUOAUHAHUOS-OFLRGPKASA-N 357.841 4.080 30 40 FIEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1sccc1C 13635065 VXYFMNKBTFSIIY-KRWDZBQOSA-N 365.458 4.424 30 40 FIEB CC(C)(C)C(=O)/C=C1\Nc2ccc(C(=O)O)cc2N\C1=C/C(=O)C(C)(C)C 5408092 UMQMRLIEQQDBLU-XCMCHEKJSA-N 370.449 4.220 30 40 FIEB Cc1c(/C=N/c2ccc([N+](=O)[O-])cc2)c(O)n2c(nc3ccccc32)c1C#N 4149357 LGYHWTLWSIRCNQ-SSDVNMTOSA-N 371.356 4.032 30 40 FIEB Clc1ccc2c(N/N=C/c3ccc(N4CCOCC4)s3)ccnc2c1 7786924 GJIVWCUPMZAIRA-CIAFOILYSA-N 372.881 4.232 30 40 FIEB C=CCN/C(S)=N\N=C\c1ccc(N(CC)Cc2ccccc2)cc1 8687464 QYPSFPTUCHKUAX-PXLXIMEGSA-N 352.507 4.108 30 40 FIEB C[C@@H](Sc1nc(-c2ccc(F)cc2)c[nH]1)C(=O)Nc1ccccc1C#N 8746239 UGZYFEQTARQQGS-GFCCVEGCSA-N 366.421 4.207 30 40 FIEB C[C@H](/N=C/c1ccc(N(C)C)cc1)[C@@H](C)/N=C/c1ccc(N(C)C)cc1 13785783 CBTYNBOPINAJTN-QGMCCPSCSA-N 350.510 4.134 30 40 FIEB O=C(O)c1ccnc(S/C(=N/c2ccccc2)NN=C2CCCCC2)c1 16807785 HFULXWSIQKGTJJ-UHFFFAOYSA-N 368.462 4.469 30 40 FIEB C=CCSc1nnc2c3ccccc3n(C(=O)c3cccs3)c2n1 19797024 FQRKBWDCUNSNSO-UHFFFAOYSA-N 352.444 4.008 30 40 FIEB C=CCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1cccc(Cl)c1 20481773 OKSPUMVHRJHSHM-GOSISDBHSA-N 372.852 4.052 30 40 FIEB N#Cc1ccc(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)cc1 23011068 BKXPRWKHNZSHHT-UHFFFAOYSA-N 356.385 4.455 30 40 FIEB N#Cc1ccc(C(F)(F)F)c(N2CCC[C@H](c3nnc4ccccn34)C2)c1 120873610 QLNICVZWLDFJCR-AWEZNQCLSA-N 371.366 4.004 30 40 FIEB N#Cc1c(OCc2ccccc2)nn(Cc2cccc3ccccc23)c1N 225848880 MTSPYKNGSHCIHL-UHFFFAOYSA-N 354.413 4.117 30 40 FIEB COc1ccc2cc(C#N)c(SCC(=O)Nc3ccc(C)cc3)nc2c1 1354702 CBTCHGSQDLXYGW-UHFFFAOYSA-N 363.442 4.154 30 40 FIEB C#CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)C1=O 2255251 HCXJYBBXIYBIFQ-XDHOZWIPSA-N 364.470 4.380 30 40 FIEB C=CCSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCC3 2282823 VRFMIKRMEWUIIO-UHFFFAOYSA-N 368.527 4.468 30 40 FIEB O=c1[nH]c(N/N=C/c2ccccc2)nc2c1C1(CCCC1)Cc1ccccc1-2 4786336 RXYRKPOLEVRXMD-BUVRLJJBSA-N 370.456 4.251 30 40 FIEB O=[N+]([O-])c1ccccc1/C=C/C=N/N=C/C=C/c1ccccc1[N+](=O)[O-] 5019906 PXADKZMQRKBQMZ-CZBXCZLISA-N 350.334 4.286 30 40 FIEB N#Cc1ccc(NC(=O)CNc2cccc(Br)c2)cc1Cl 7953281 GPUSNHRTZZTCQY-UHFFFAOYSA-N 364.630 4.025 30 40 FIEB COc1ccccc1CCNC(=O)c1ccccc1-c1ccccc1C#N 12920002 PVIXLXNGIAIZLF-UHFFFAOYSA-N 356.425 4.206 30 40 FIEB CCOc1ccc(Nc2oc(-c3ccccc3[N+](=O)[O-])nc2C#N)cc1 35672248 GXOXZSHWZINHJO-UHFFFAOYSA-N 350.334 4.264 30 40 FIEB N#CCSc1ncc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccccc1 44085446 ZTUZJEQOPKPZSN-UHFFFAOYSA-N 350.403 4.122 30 40 FIEB COc1ccccc1Nc1nnc(Sc2cccc(F)c2C#N)s1 60991517 IVUFDQYVUOTMTL-UHFFFAOYSA-N 358.423 4.452 30 40 FIEB COc1cc(C#N)cc(NC(=O)c2ccccc2)c1OC(=O)c1ccccc1 85412490 HGEQREUZHLVIBN-UHFFFAOYSA-N 372.380 4.038 30 40 FIEB N#Cc1ccc2c(c1)CO[C@@]2(CCCNCC1CC1)c1ccc(F)cc1 98181654 IJBLWRQTURZJLZ-QFIPXVFZSA-N 350.437 4.251 30 40 FIEB COc1ccc(NC(=O)c2oc3c(c2C)/C(=N\O)CC(C)(C)C3)c(OC)c1 100931426 UVYIWPNRNUPAHA-HMAPJEAMSA-N 372.421 4.008 30 40 FIEB C=CCSc1nnc(NC(=O)[C@@H](CC)Oc2cc(C)ccc2C)s1 224989402 UCKICOXFNZXIPI-CYBMUJFWSA-N 363.508 4.229 30 40 FIEB C=CCN1C(=O)S/C(=C/c2c[nH]c3ccc(Br)cc23)C1=O 409106068 LYEGFSXZPJAWII-AWNIVKPZSA-N 363.236 4.153 30 40 FIEB N#Cc1cnc2c(Cl)cccc2c1NCc1cc2c(nc1O)CCCC2 1187393206 XMDDTPCFHMLNQB-UHFFFAOYSA-N 364.836 4.351 30 40 FIEB COc1ccc2cc(C#N)c(SCC(=O)Nc3cccc(C)c3)nc2c1 4849196 WZQFLIVOXCGISG-UHFFFAOYSA-N 363.442 4.154 30 40 FIEB N#Cc1c(NC(=O)CO/N=C/c2ccccc2Cl)sc2c1CCCC2 3167669 ZNSSYKHZMBGPPW-UFFVCSGVSA-N 373.865 4.141 30 40 FIEB CCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(OC)cc1 16741485 WCLJLNUXINMFCT-QGZVFWFLSA-N 371.458 4.135 30 40 FIEB Cc1noc2nc(-c3cccs3)cc(C(=O)Nc3ccc(C#N)cc3)c12 12994034 ACVPNXBUGUMOBY-UHFFFAOYSA-N 360.398 4.384 30 40 FIEB N#Cc1ccccc1NC(=O)CN1CCc2sccc2[C@@H]1c1ccccc1 12975570 UXSULWAEASYFAS-QFIPXVFZSA-N 373.481 4.206 30 40 FIEB N#Cc1c(NC(=O)COc2ccc(Cl)cc2Cl)sc2c1CCC2 4454701 MHKBGZWTSFAJSU-UHFFFAOYSA-N 367.257 4.433 30 40 FIEB CCOc1ccc(/C=N/OCc2ccccc2C#N)cc1Br 408595976 YKMAFFFMIKAAKS-RGVLZGJSSA-N 359.223 4.270 30 40 FIEB CCc1ccc(OCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 5911619 IXEHMLXSZBIYLR-UHFFFAOYSA-N 354.475 4.469 30 40 FIEB C=CCSc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 26226085 JJDHKRPVZWYXHK-UHFFFAOYSA-N 358.419 4.199 30 40 FIEB C=CCOc1ccc(C(=O)NCc2ccccc2CN2CCCCC2)cc1 31525061 RTVYOFUPJATRJA-UHFFFAOYSA-N 364.489 4.167 30 40 FIEB CCC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccccc1[N+](=O)[O-] 5605293 XWGACWYZPPKCOU-LJQANCHMSA-N 374.396 4.142 30 40 FIEB O=C1/C(=N\O)c2cc(Cl)ccc2N1Cc1ccc(Cl)c(Cl)c1 100324170 YXUGDGFGZIMQTJ-RGEXLXHISA-N 355.608 4.372 30 40 FIEB C=C(C)CSc1nc2ccccc2n1C(=O)c1ccccc1C(=O)O 794530 MJQUYOKBSYBNCI-UHFFFAOYSA-N 352.415 4.091 30 40 FIEB C=CCN1C(=O)/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)SC1=S 1506159 AUXYITBDQGHTIJ-GDNBJRDFSA-N 371.439 4.032 30 40 FIEB N#Cc1nc(-c2cccc(Cl)c2)oc1N1CCN(c2ccccc2)CC1 2429235 KTTWBVGKUZWZDY-UHFFFAOYSA-N 364.836 4.193 30 40 FIEB N#Cc1ccc(NC(=O)c2cc(Br)c3ccccc3c2O)cc1 3149538 BVXJWJPSJKHKGZ-UHFFFAOYSA-N 367.202 4.432 30 40 FIEB C[C@H](C(=O)Nc1ccc(C#N)cc1)N(C)Cc1cccc(Cl)c1Cl 3540460 IYIUYBXIZIIPIN-GFCCVEGCSA-N 362.260 4.324 30 40 FIEB O=[N+]([O-])c1ccc(/C=N/Nc2nc(-c3ccccc3)c3ccccc3n2)o1 4104455 KOOQCQULJPBWDU-UDWIEESQSA-N 359.345 4.244 30 40 FIEB Cc1cc(C(=O)COc2ccc(C#N)cc2)c(C)n1Cc1ccc(F)cc1 5868172 XRDHTAVKZQBFSU-UHFFFAOYSA-N 362.404 4.426 30 40 FIEB N#Cc1ccc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)cc1 7947110 LXZAKQUIDHDNAM-SFHVURJKSA-N 350.468 4.469 30 40 FIEB CCOc1ccc(/C=C2\Oc3cc(OC(=O)C(C)C)ccc3C2=O)cc1 9576570 HFJGPKNLEKMGEY-ODLFYWEKSA-N 352.386 4.263 30 40 FIEB biogenic C(=N/N=c1\scc(-c2ccccc2)n1Cc1ccco1)\c1ccncc1 16711450 KZOCCFWDFHSEAL-JWKPFVQPSA-N 360.442 4.188 30 40 FIEB Cc1ccc(/C=N/N=C2\S[C@H](C)C(=O)N2Cc2ccccc2C)cc1 51366780 YZHIHNNYLIGCBH-DIOYOTCZSA-N 351.475 4.157 30 40 FIEB C=CC(C)(C)c1c(O)cc(OC)c2cc(-c3ccc(O)cc3O)c(=O)oc12 59778202 LCRIQVFKVCYUAO-UHFFFAOYSA-N 368.385 4.049 30 40 FIEB biogenic,in-vitro Cc1csc([C@H](C#N)C(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)n1 73975184 QOMROJGLVVTNMR-JHJVBQTASA-N 350.365 4.450 30 40 FIEB CC1(C)[C@H]2CC[C@@]1(C)C(=O)[C@@H]2COC(=O)/C=C1\C(=O)[C@]2(C)CC[C@@H]1C2(C)C 100362787 GFUKRGMWZLCMQM-NPCNRUIDSA-N 372.505 4.123 30 40 FIEB CC(C)[C@@H]1CC[C@H](C)C2=C1N[C@H](c1ccccc1)C(C#N)(C#N)C2(C#N)C#N 102682940 CNUAJBSOIJZAHJ-DJPFJPOOSA-N 369.472 4.354 30 40 FIEB C=CCOc1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 409239478 NBHXSBDZEDXUCS-SFQUDFHCSA-N 354.793 4.002 30 40 FIEB CCOc1cc(/C=N/c2ccc(OC)cc2)cc(Br)c1O 6958604 QDAARCPBRQEZNW-VCHYOVAHSA-N 350.212 4.313 30 40 FIEB C=CCOc1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)cc1 10338316 WPAYRBABKMMUHO-UHFFFAOYSA-N 350.462 4.490 30 40 FIEB N#Cc1ccsc1NC(=O)CSc1ncc(-c2ccc(F)cc2)o1 10714844 BTIDTJXSDDYOPL-UHFFFAOYSA-N 359.407 4.145 30 40 FIEB Cc1cccc(-n2nc(C)c3c2NC2=C(C(=O)CCC2)[C@@H]3c2ccccn2)c1 13123373 MCQZZYUEZDBVHZ-JOCHJYFZSA-N 370.456 4.449 30 40 FIEB CCc1sc(-c2nnc(COc3ccc(C#N)cc3OC)o2)cc1C 14241650 OIHQBDNLVULTMS-UHFFFAOYSA-N 355.419 4.128 30 40 FIEB N#Cc1ccc(CNC2(c3cccc(Br)c3)CCOCC2)cc1 55055590 HUHHAJJZMNIFMT-UHFFFAOYSA-N 371.278 4.116 30 40 FIEB O=C(O)COc1ccc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)cc1Cl 59247925 UKLWEEWJSMTQRG-CNHKJKLMSA-N 369.160 4.116 30 40 FIEB Cc1noc(C)c1CCC(=O)Nc1sc2c(c1C#N)CCCCCC2 79123938 PAEBLYRVMHMTRA-UHFFFAOYSA-N 357.479 4.455 30 40 FIEB C=CCN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Br)cc1 224723241 SVYZBQGPJXFONJ-UHFFFAOYSA-N 366.280 4.139 30 40 FIEB C=CCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225071905 LFVMMPTYLDCGPC-UHFFFAOYSA-N 374.462 4.408 30 40 FIEB C=CCN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O 409087843 HYGNTKULBMOQPO-XNTDXEJSSA-N 356.359 4.077 30 40 FIEB CN(C)C(=O)c1cccc(CS/C(N)=N/c2ccc(F)c(Cl)c2)c1 60511529 KJXCHMYDBHCJFD-UHFFFAOYSA-N 365.861 4.061 30 40 FIEB Cc1ccc(-c2csc3ncn(C[C@@H](C#N)CCC#N)c(=O)c23)cc1C 53727937 MNLVRGUTLYWQJE-OAHLLOKOSA-N 362.458 4.185 30 40 FIEB N#Cc1ccc(-c2ccc(OC[C@@H](O)COc3ccc(F)cc3)cc2)cc1 24761035 LXVWJCPWYJHAMR-HXUWFJFHSA-N 363.388 4.183 30 40 FIEB Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc2cn[nH]c12 57089210 QWXMIZDXMZKQPN-UHFFFAOYSA-N 369.384 4.183 30 40 FIEB N#Cc1ncoc1N/N=C/c1ccc(-c2cccc(Br)c2)o1 26533159 KSUBRSRBQHBBSB-UFWORHAWSA-N 357.167 4.015 30 40 FIEB COc1cc(/C=C/C(=O)c2ccc(F)cc2N(C)C)ccc1OC(F)F 79105037 HNCWVDBXWPPZPS-XBXARRHUSA-N 365.351 4.398 30 40 FIEB CC(=O)N(C)c1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1 65478631 GQZOCJQONGQHLW-UHFFFAOYSA-N 369.424 4.460 30 40 FIEB O=[N+]([O-])c1ccc(N/N=C\c2ccccc2OCc2cccc(F)c2)nc1 408911803 OMZSPNWILCLEST-JJFYIABZSA-N 366.352 4.154 30 40 FIEB C=CCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(OC)c(F)c1 225097045 HCKKMYQHPRPGBY-UHFFFAOYSA-N 363.454 4.339 30 40 FIEB Cc1cc(N/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1Br 44842763 RVBCMWZOEXYYHG-VOTSOKGWSA-N 360.207 4.295 30 40 FIEB C=CCc1cc(OC)c(O)c([C@H](C)C(=O)c2ccc(OC)c(OC)c2)c1 13383570 VOKBRPPPSPIUIB-ZDUSSCGKSA-N 356.418 4.133 30 40 FIEB biogenic,in-vitro C=CCn1/c(=N/C(=O)Cc2cc(C)ccc2C)sc2cc(F)cc(F)c21 100987551 VRIYVXXUFMLYEB-ATJXCDBQSA-N 372.440 4.454 30 40 FIEB Cc1ccc2nc(SCC(=O)N3CCc4ccccc4C3)c(C#N)cc2c1 4848893 BBFOFINETCRWIM-UHFFFAOYSA-N 373.481 4.092 30 40 FIEB N#Cc1c(NC(=O)CSc2nc3ccccc3s2)sc2c1CCC2 5629157 ACGKOVFLCBXMAA-UHFFFAOYSA-N 371.512 4.449 30 40 FIEB CCCCCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1OCC 8407975 YGQXPWIPQVPTSY-IBGZPJMESA-N 374.481 4.227 30 40 FIEB O=C1/C(=C/c2ccccc2)Oc2c1ccc1c2CN(Cc2ccncc2)CO1 9422600 XZRGQNDMJKKARN-MTJSOVHGSA-N 370.408 4.050 30 40 FIEB O=C1Nc2c(cccc2C(F)(F)F)/C1=N\Nc1nc2ccccc2s1 17644288 LKNZDJGDKWUCQS-UHFFFAOYSA-N 362.336 4.083 30 40 FIEB O=C1CCCC2=C1[C@@H](c1ccc(-c3ccccc3)cc1)c1c(O)n[nH]c1N2 18195463 BTFZFNGBFCXIPH-GOSISDBHSA-N 357.413 4.347 30 40 FIEB N#Cc1cnn2c1NC1=C(C(=O)CCC1)[C@H]2c1ccc(Cl)c(Cl)c1 44890042 OAJPCFINQDVUBA-MRXNPFEDSA-N 359.216 4.084 30 40 FIEB CC(C)=NNc1nc2cc(C)c(I)c(C)c2s1 45888640 DMUFMFKLELQRQZ-UHFFFAOYSA-N 359.236 4.325 30 40 FIEB Cc1ccc(OC[C@H](C)NC(=S)Nc2ccc(CC#N)cc2)cc1C 225789933 JYWTVVCOKLJEPK-INIZCTEOSA-N 353.491 4.123 30 40 FIEB CC[C@H](C)Oc1ccc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1OC 408589055 CSNWOZRQLLXAOY-PVGUKEHMSA-N 358.394 4.331 30 40 FIEB Cc1ccc(N=C2NC(=O)/C(=C\c3cn(CC#N)c4ccccc34)S2)cc1 408966232 NYXIXBYXWRDMIT-XDHOZWIPSA-N 372.453 4.365 30 40 FIEB CCOC(OCC)c1ccc(C(=O)[C@H]2O[C@@H]2c2ccc(Cl)cc2)o1 3168014 OLQGSWFGXHFFAW-IAGOWNOFSA-N 350.798 4.327 30 40 FIEB C=CCc1cc(C(=O)NCc2ccc(OCC)c(OCC)c2)ccc1OC 218655113 BMGPTPFUSKGNMU-UHFFFAOYSA-N 369.461 4.151 30 40 FIEB Cc1c(Cl)cccc1N/N=C1\C(=O)Nc2ccc(C(F)(F)F)cc21 223746509 VSAVSEYIYOTDKU-UHFFFAOYSA-N 353.731 4.436 30 40 FIEB N#Cc1ccccc1CN1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1 70635534 INZNHUYCAMGVNE-UHFFFAOYSA-N 362.408 4.127 30 40 FIEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccccc1)Nc1nonc1N2 12409232 ALRHUGTWLUJUSP-SJCJKPOMSA-N 364.430 4.111 30 40 FIEB O=C1CS/C(=N\N=C\c2ccccc2)N1Cc1cccc2ccccc12 2352111 NDKRJUVLNMSXON-ISURTVLTSA-N 359.454 4.305 30 40 FIEB C[C@@H](Sc1ccc(Br)cc1)C(=O)Nc1ccc(C#N)cc1 3342254 ZPRGUYXTGVHHCX-LLVKDONJSA-N 361.264 4.440 30 40 FIEB Cc1c(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cccc1[N+](=O)[O-] 4109737 OINXLZPTIJURMU-JTQLQIEISA-N 355.419 4.214 30 40 FIEB COc1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cc1 4516868 GOEFLJVKMYLCKR-UHFFFAOYSA-N 374.444 4.342 30 40 FIEB Cc1sc2ncn(Cc3ccccc3C#N)c(=O)c2c1-c1ccccc1 5556158 YPLZUSOETJGCIC-UHFFFAOYSA-N 357.438 4.353 30 40 FIEB N#Cc1ccc(OCc2cc(=O)oc3cc(Br)ccc23)cc1 11036248 MFKVMDUUWLMOPT-UHFFFAOYSA-N 356.175 4.006 30 40 FIEB C=CCOc1ccc(/C=C/C(=O)c2ccc(N3CCOCC3)c(F)c2)cc1 12610050 FDOOPOTXNCTVEI-BJMVGYQFSA-N 367.420 4.123 30 40 FIEB O=C(OCc1ccccc1)/C(Cl)=N\Nc1cccc(C(F)(F)F)c1 100505652 PJLRNGNRMWYEMZ-HYARGMPZSA-N 356.731 4.413 30 40 FIEB COc1cc(/C=C2\SC(=N)[C@H](c3nccs3)C2=O)ccc1OC(C)C 136012251 FGWQTABDFFVFKB-SMHQWKPTSA-N 374.487 4.357 30 40 FIEB C[C@]12CC[C@@H]3[C@H]([C@@H]4C[C@@H]4C4=CC(=O)CC[C@@]43C)[C@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1 334162314 METQSPRSQINEEU-GRKGWXFISA-N 366.501 4.306 30 40 FIEB COC(=O)c1ccccc1-c1ccc(/C=N/Nc2nc3ccccc3n2C)o1 408669276 XELLXDTVZFOYAT-LPYMAVHISA-N 374.400 4.066 30 40 FIEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2cc(C)n(C)c2C)S1 408780448 YVHHUDUHKKENKU-SXGWCWSVSA-N 359.882 4.495 30 40 FIEB COc1ccc([C@@H]2C[C@H]2CC(=O)N(CC#N)c2ccc(Cl)cc2)cc1 598843937 NXNRMPCIAXPOIE-KXBFYZLASA-N 354.837 4.399 30 40 FIEB CCCN1C(=S)SC(C)(C)[C@@H]1/[N+]([O-])=C/c1c(F)cccc1Cl 2260766 HNDFCBXEWMFRKH-ATDWHHCWSA-N 360.907 4.257 30 40 FIEB N#Cc1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc2c1CCCCCC2 2747584 QSFQDICYVNWTAA-ZIAGYGMSSA-N 360.479 4.108 30 40 FIEB COc1ccc(OC)c(/N=C/c2ccc(Br)c([N+](=O)[O-])c2)c1 4017675 IZRCROACAXZJNA-RQZCQDPDSA-N 365.183 4.125 30 40 FIEB O=[N+]([O-])c1ccc(N2CCCC2)c(/C=N/Nc2nc3ccccc3s2)c1 4106516 LUYYUXAVLPYYCK-XDHOZWIPSA-N 367.434 4.251 30 40 FIEB Cc1ccc(-n2c(C)cc(/C=N/N3C(=O)c4ccccc4C3=O)c2C)cc1 7944941 UJGIEVTUOVSZBD-YDZHTSKRSA-N 357.413 4.033 30 40 FIEB C=CCN1C(=O)/C(=C\c2cc(C)n(C3CCCCC3)c2C)C(O)=NC1=S 15012639 ODOAUFMPPOQTKB-ATVHPVEESA-N 371.506 4.263 30 40 FIEB CCCCCCC[C@]1(C)NC(=O)N(CC(=O)c2cc(C)c(C)cc2C)C1=O 101661374 XDZJWPVQLJGNOK-QFIPXVFZSA-N 372.509 4.466 30 40 FIEB Cc1cccc(N2C(S[C@H](C)C#N)=NN/C2=C2\C=Nc3ccccc32)c1 102458376 LICGAUOPHAIXID-RMYFCYLKSA-N 359.458 4.406 30 40 FIEB C=CCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc(C)cc1C 222954824 AMLJDLJLUCCIAR-IBGZPJMESA-N 366.461 4.015 30 40 FIEB Cc1c(Cl)cccc1N/N=C1\C(=O)Nc2c1cccc2C(F)(F)F 223742232 COVKYCSHEWVVIV-UHFFFAOYSA-N 353.731 4.436 30 40 FIEB O=[N+]([O-])c1cc(C=Nn2c(-c3ccccc3)n[nH]c2=S)ccc1Cl 254619133 YAQJTZQUJGVZTK-UHFFFAOYSA-N 359.798 4.051 30 40 FIEB CC1(C)OB(C2CCN(Cc3cccc4cnccc34)CC2)OC1(C)C 1776007627 PXNSQNWLZYKTBI-UHFFFAOYSA-N 352.287 4.293 30 40 FIEB COc1cc(OC)c(/C=N/c2ccccc2[N+](=O)[O-])cc1Br 4178158 OIHMOPQQUPFFKA-RQZCQDPDSA-N 365.183 4.125 30 40 FIEB Cc1nc(SCC(=O)Nc2cccc(C#N)c2)c2c(C)c(C)sc2n1 6881824 JHUTUZWQPAURGO-UHFFFAOYSA-N 368.487 4.219 30 40 FIEB CCn1c(SCC#N)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 14093807 PVIZWVRIOHEOPR-UHFFFAOYSA-N 359.451 4.208 30 40 FIEB Oc1ccc(/C=N/Nc2nnc(Cc3ccccc3)c3ccccc23)c(O)c1 31812370 CULCJQFKLVKRNO-OEAKJJBVSA-N 370.412 4.078 30 40 FIEB COc1cc(CN(C)C[C@H](C#N)CCC#N)ccc1OCc1ccccc1 32735892 SCBSWIRQMJVJSM-FQEVSTJZSA-N 363.461 4.150 30 40 FIEB CCN(CC(=O)Nc1sc(C)c(C)c1C#N)Cc1ccc(Cl)s1 72318950 RGCHZJFDECERGA-UHFFFAOYSA-N 367.927 4.412 30 40 FIEB CC1=C(C(=O)OCC(C)C)[C@@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1 96336837 SZBMQPGGLYNAAF-HXUWFJFHSA-N 367.489 4.490 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2cccc(F)c2)C[C@@H]1c1cccc(OC)c1 97104965 FIEASBBHPYPMEO-TZIWHRDSSA-N 368.404 4.154 30 40 FIEB C=CCSc1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1 219801768 VBYYIFQRMNAKBJ-UHFFFAOYSA-N 356.466 4.066 30 40 FIEB CC(=O)O[C@@H]1C[C@]2(C)[C@H](C(C)=O)CC[C@@H]2[C@H]2CCC3=CC(=O)CC[C@]3(C)[C@@H]12 253499515 IWRPVTXREVYBHT-JURZYHIFSA-N 372.505 4.265 30 40 FIEB biogenic N#Cc1c(-c2cccc(Br)c2)c(-c2ccccc2)c[nH]c1=N 408980179 PSDHOWYULSLBBO-UHFFFAOYSA-N 350.219 4.462 30 40 FIEB C=CCN1C(=O)/C(=C\c2ccc(OC(F)F)c(OCC)c2)SC1=S 409363777 ITDDTBHHUSXIKQ-UKTHLTGXSA-N 371.430 4.074 30 40 FIEB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OCC[N+](C)(C)CC(=O)OC1CCCCC1)C2 1809585 KYWMVDGDOMBOTE-JUXOCIIHSA-N 366.566 4.170 30 40 FIEB CCc1noc(C)c1C(=O)N1C[C@@H](C)S/C1=N\c1ccc(Cl)cc1 102883890 SNBJSHHYSYTFAL-FHFYJZPISA-N 363.870 4.464 30 40 FIEB N#Cc1ccccc1-c1ccc(Cn2cnc3cc(F)ccc3c2=O)cc1 23082629 QGFZRCUBXZNRGE-UHFFFAOYSA-N 355.372 4.123 30 40 FIEB Nc1ccc2nc(-c3ccc(/N=C/c4cccc([N+](=O)[O-])c4)cc3)[nH]c2c1 4354273 UKTBXAVCCKFLLQ-WSDLNYQXSA-N 357.373 4.471 30 40 FIEB CN1CCc2c(sc(/N=C\c3ccccc3O)c2C(=O)OC(C)(C)C)C1 4473675 HUKRNPGDPUBKPZ-NHDPSOOVSA-N 372.490 4.148 30 40 FIEB CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C 4804059 HHOPZZNLTLSBAF-LBYDKSIMSA-N 358.478 4.019 30 40 FIEB biogenic,in-vitro C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1sccc1C 13635068 VXYFMNKBTFSIIY-QGZVFWFLSA-N 365.458 4.424 30 40 FIEB Cc1nn(C)cc1C1C2=C(CC(C)(C)CC2=O)OC2=C1C(=O)CC(C)(C)C2 2290372 MCZONXUFVCAPTK-UHFFFAOYSA-N 368.477 4.129 30 40 FIEB O=C1C(=O)N(c2ccccc2)[C@@H](c2ccccc2)/C1=C(\O)c1ccc(F)cc1 104130208 BBAYGBXOSDVSBC-NHFXJNLRSA-N 373.383 4.452 30 40 FIEB N#Cc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2cc(F)ccc2F)cc1 40285153 AGYVOLGCQRKVHI-AWEZNQCLSA-N 350.328 4.146 30 40 FIEB CC(C)Cc1ccc([C@H](C)NC(=O)c2ccc(NC(=O)CC#N)cc2)cc1 3353475 FWHDTJUFUKLAES-INIZCTEOSA-N 363.461 4.228 30 40 FIEB C=CCn1c(COc2ccccc2)nnc1SCc1ccc(C#N)cc1 4295826 BKAUCIPDNSLOLO-UHFFFAOYSA-N 362.458 4.207 30 40 FIEB CCOc1cc(N/N=C(\C)c2cccc(C(F)(F)F)c2)nc(SC)n1 4667627 CXTHUBVQZPBNER-LSHDLFTRSA-N 370.400 4.452 30 40 FIEB CCc1ccc2[nH]c3nc(N/N=C/c4ccc(Cl)cc4)nnc3c2c1 5471588 FYQOGZGMVKTJJF-KEBDBYFISA-N 350.813 4.168 30 40 FIEB CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(Cl)cc2)n2ncnc2N1 9134013 FIWRBYQPKWDGGU-QGZVFWFLSA-N 350.809 4.103 30 40 FIEB C=CCn1c(=N)n(C[C@H](O)c2ccc(Cl)c(Cl)c2)c2ccccc21 19707529 IOTCSGQSXGEYTR-KRWDZBQOSA-N 362.260 4.149 30 40 FIEB COc1ccc(OC)c(CCC(=O)Nc2sc3c(c2C#N)CCCC3)c1 25056964 LLGHZCGBDNCHBN-UHFFFAOYSA-N 370.474 4.087 30 40 FIEB N/C(=N/OCc1nnc(-c2ccc(Cl)cc2Cl)o1)C1CCCC1 63455512 BTSZEPGCRCKGFC-UHFFFAOYSA-N 355.225 4.022 30 40 FIEB Cc1c(Cl)cccc1NC(=O)[C@@H](C#N)C(=O)c1ccc2ccccc2n1 103504640 ZXZFNSQISNNHOF-AWEZNQCLSA-N 363.804 4.158 30 40 FIEB CC/N=C1\S/C(=C\c2cc(F)c(N3CCCC3)cc2C)C(=O)N1CC 108268319 CZLQINBSXBGBOD-WJCPARMISA-N 361.486 4.046 30 40 FIEB COc1cc(N2CCCCC2)ccc1/C=N\NC(=S)Nc1ccccc1 409244738 IAWDCZFNYFUAHW-QNGOZBTKSA-N 368.506 4.006 30 40 FIEB CCOc1cc(/C=C2/S/C(=N/c3ccccc3)N(C)C2=O)ccc1O 5872191 ZJYHSBFBEIBSIO-KFBYJWCXSA-N 354.431 4.025 30 40 FIEB CCSc1nc2n(n1)[C@H](c1cccc(F)c1)C1=C(CC(C)(C)CC1=O)N2 6677841 AMPNVABGGKTGGR-MRXNPFEDSA-N 372.469 4.187 30 40 FIEB N#Cc1cccc(C(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3[nH]2)c1 7738611 YZSHIUALBARBJE-OAQYLSRUSA-N 366.424 4.148 30 40 FIEB CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(C)cc1)C2=O 9419797 AIQHFELJCBWLMW-UNOMPAQXSA-N 351.402 4.452 30 40 FIEB CCN1C=C(C(=O)/C=C/c2ccc(F)cc2)[C@@H](c2ccccc2)NC1=O 12389414 DCDUKTHLWBTWEY-XEDBTPMOSA-N 350.393 4.078 30 40 FIEB COc1cc(/C=C/C(=O)N[C@H](C)c2cccc(Cl)c2)ccc1OCC#N 15562119 XJOTWVCGVUKTEU-RCQQVGEISA-N 370.836 4.142 30 40 FIEB C=CCN(C(=O)c1ccc([N+](=O)[O-])c(C)c1)c1nc2ccccc2s1 15639921 ABQPJLFCLIDPAE-UHFFFAOYSA-N 353.403 4.346 30 40 FIEB CC(C)c1nc(C#N)c(NC[C@H](c2ccc(C(F)(F)F)cc2)N(C)C)o1 32594191 FNMULIWORIMRJH-OAHLLOKOSA-N 366.387 4.403 30 40 FIEB Cc1nc(S[C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)c(C#N)c(C)c1C 32887944 JKUJOQKORAYGEK-DYVFJYSZSA-N 367.518 4.279 30 40 FIEB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)c1ccc(C#N)cn1 40067590 JVZZIZIABMPDKN-MRXNPFEDSA-N 356.429 4.403 30 40 FIEB CCn1c(NC(=O)[C@H]2CCCc3sccc32)nc2cc(C#N)ccc21 131950368 KUEVDIVYNGTYEV-AWEZNQCLSA-N 350.447 4.048 30 40 FIEB C=C(C)Cn1c(SCc2cccnc2Cl)nnc1-c1ccncc1 156117746 FAWSCMGUWICOHE-UHFFFAOYSA-N 357.870 4.257 30 40 FIEB Cc1ccc(COc2nn(Cc3ccc(Cl)cc3)c(N)c2C#N)cc1C 225840601 DGRVDJVIWLUCQX-UHFFFAOYSA-N 366.852 4.235 30 40 FIEB FC(F)(F)Cn1ccc(/C=N\Nc2nc(-c3ccccc3)cs2)n1 253406822 VASYZZBCYAKTAU-UWVJOHFNSA-N 351.357 4.015 30 40 FIEB COc1ccc(-c2nnc(SCCC#N)n2C2CCCCC2)cc1OC 6834093 VVRKLVIAKBSYJI-UHFFFAOYSA-N 372.494 4.473 30 40 FIEB COc1ccc2c(c1)O[C@H](C)C/C2=N/OC(=O)C12CC3CC(CC(C3)C1)C2 10001740 YAIPNGCBLTUSOG-DJLXPRRUSA-N 369.461 4.330 30 40 FIEB C#CCOc1cccc([C@H]2CC(O)=Nc3c2ncn3-c2ccc(F)cc2)c1 36358423 NMCUBNVINZGCNC-GOSISDBHSA-N 361.376 4.147 30 40 FIEB COc1ccc2cc(CN(C)C(=O)/C=C/c3ccc(C#N)cc3)ccc2c1 12919286 CRMSYMHMYIPNDI-XYOKQWHBSA-N 356.425 4.392 30 40 FIEB Cc1ccc([C@@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ncnn32)cc1 5302617 QUAKICSHPSUQHK-DYESRHJHSA-N 356.429 4.002 30 40 FIEB CO/N=C(/CNC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 5719835 LTBQJSHMSNTUKE-QNGOZBTKSA-N 371.651 4.427 30 40 FIEB CCCCOC(=O)c1ccc(/N=N/c2c(O)nc(O)c(C#N)c2C)cc1 15952293 IBWMERFETDXLRG-QURGRASLSA-N 354.366 4.045 30 40 FIEB Cc1ccc(Cc2nc(SCc3cccc(C)c3)nc(N)c2C#N)cc1 223673224 JADPNCVXMABPIC-UHFFFAOYSA-N 360.486 4.430 30 40 FIEB CC[C@H](C)/N=C(/S)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20097972 LAFUQJYWUTXWFY-SFHVURJKSA-N 367.562 4.478 30 40 FIEB CCOC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(OCC#N)cc12 2320632 MGBAXHSSZVKWSY-UHFFFAOYSA-N 351.358 4.187 30 40 FIEB biogenic O=C1/C(=C/c2ccccc2F)Oc2c1ccc(O)c2CN1CCCCC1 4339583 TZHUBFHXUMKDOA-UNOMPAQXSA-N 353.393 4.133 30 40 FIEB CCOc1cc(/C=C/C(=O)c2cn(CC)nc2C)ccc1OC(F)F 6490230 XLELYOQSEXPXKK-SOFGYWHQSA-N 350.365 4.108 30 40 FIEB CC(C)(C)C(=O)[C@@H]1[C@H](c2ccco2)C(C#N)(C#N)[C@@H]2C=Cc3ccccc3N12 13750100 YHJDCWDKXVQGJK-UFYCRDLUSA-N 371.440 4.296 30 40 FIEB CCc1ccccc1-n1c(C)cc(/C=C2/S/C(=N\C)N(C)C2=O)c1C 15013045 UEOFKNSJANTRRQ-KDWIEBRMSA-N 353.491 4.188 30 40 FIEB CCOc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc1OCC 60108399 LCGUERDOJQFKLV-JXMROGBWSA-N 356.418 4.397 30 40 FIEB CN(C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)C1(C#N)CCC1 67683935 JTSGEPZABPKFSE-UHFFFAOYSA-N 373.865 4.172 30 40 FIEB N#Cc1c(Cc2cccc3ccccc23)nn(Cc2cccc(F)c2)c1N 225841997 WLLDOMMHDTYESU-UHFFFAOYSA-N 356.404 4.268 30 40 FIEB CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccccc1C 1456739 GABHYTKPMARSTL-LJQANCHMSA-N 359.425 4.127 30 40 FIEB CC[C@H](C)c1ccc(OCCOc2ccc(/C=N/n3cnnc3)cc2)cc1 4499398 PUYPTMNOBVXRLQ-ZZQPOVDQSA-N 364.449 4.132 30 40 FIEB CC(C)N1C(=O)/C(=C\c2ccc(C(=O)O)cc2)S/C1=N\c1ccccc1 4660326 CVGFQPNVJZOWJN-MSYUKONTSA-N 366.442 4.397 30 40 FIEB CCc1ccc2nc(SCC(=O)N[C@@H]3CCCC[C@@H]3C)c(C#N)cc2c1 4848949 SFKMIKMYQNLRPL-KBXCAEBGSA-N 367.518 4.456 30 40 FIEB Cc1cccc2cc(C#N)c(SCC(=O)N3c4ccccc4C[C@@H]3C)nc12 4849021 HJYSBNFLAXPOAI-HNNXBMFYSA-N 373.481 4.485 30 40 FIEB CN(C)c1ccc(/C=C2\S/C(=N\c3ccc(Cl)cc3)NC2=O)cc1 5520010 JRZJCZHOJRDUFS-WJDWOHSUSA-N 357.866 4.298 30 40 FIEB CCOCCCn1c(NN=C2CCCCCCC2)nc2ccccc2c1=O 7864540 FZSLKKTXOBSTRL-UHFFFAOYSA-N 370.497 4.335 30 40 FIEB COc1ccc(-c2csc(NC(=O)CCc3ccco3)n2)cc1CC#N 12697340 HBCJLFQEBYSBQO-UHFFFAOYSA-N 367.430 4.049 30 40 FIEB C=CCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc2ccccc2c1 13685283 WINHZZMEXKMZBW-INIZCTEOSA-N 374.440 4.162 30 40 FIEB COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)c(OC)c1 38361157 CPRMBQYTDZNENF-QFAYSNGYSA-N 368.458 4.246 30 40 FIEB O/N=C1/CC/C=C/CC/C=C/CC[C@@H]1N1CCN(Cc2ccccc2)CC1 100976951 ZIAZVJXASDLHHH-XQHZVMKBSA-N 367.537 4.470 30 40 FIEB CCCOc1ccc(/C=C2\SC(=N)[C@H](c3nnc(CC)s3)C2=O)cc1 137661658 ZQQSIQDECSYIGY-CZGNVTRDSA-N 373.503 4.307 30 40 FIEB C=CCOc1c(Cl)cc(C=C2C(=O)c3ccccc3C2=O)cc1OC 408912733 RUHXGMSPIUVHPC-UHFFFAOYSA-N 354.789 4.376 30 40 FIEB C/N=C1/S/C(=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C(=O)N1C 408930218 UFJWJZPWEMDQRU-DRJFBDSASA-N 353.491 4.243 30 40 FIEB C=CCn1c(SCC(=O)NCc2ccccc2Cl)nc2ccccc21 4485682 RNKKXTVMMCLGHV-UHFFFAOYSA-N 371.893 4.284 30 40 FIEB O=C(C(=NNc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1)c1ccccc1 4551301 XXCZUTWHLOHMOU-UHFFFAOYSA-N 373.368 4.129 30 40 FIEB COc1cc(/C=C/C(=O)c2ccc3c(c2)OCCCO3)cc(Cl)c1OC 7717242 UNJJOZHEYKKZNI-GQCTYLIASA-N 374.820 4.415 30 40 FIEB Cc1ccc(/C=C2\Oc3cc(OCC(=O)OC(C)(C)C)ccc3C2=O)cc1 13655209 SPMIFYPHIJUSMU-ODLFYWEKSA-N 366.413 4.332 30 40 FIEB CCc1ccc(/C=C2\Oc3cc(OCC(=O)OC(C)C)ccc3C2=O)cc1 13681752 DHLMLHJIQPBGFA-JAIQZWGSSA-N 366.413 4.196 30 40 FIEB biogenic CCn1cc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)c2ccccc21 101444965 JUORNADULKNNNC-OEAKJJBVSA-N 358.445 4.210 30 40 FIEB O=C(Oc1ccccc1C=C1C(=O)c2ccccc2C1=O)c1ccccc1 4508846 XTTHNFOFCGSGKM-UHFFFAOYSA-N 354.361 4.368 30 40 FIEB Cc1ccc(-c2nc(C#N)c(NC[C@H](c3cccs3)N(C)C)o2)cc1 27793014 ORAVEMILNGPBBU-MRXNPFEDSA-N 352.463 4.298 30 40 FIEB CCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])o2)S/C1=N\c1cc(C)ccc1C 408909544 UXSYUGXYCJLGNJ-PPVAIKJXSA-N 371.418 4.429 30 40 FIEB COc1cc(C#N)ccc1OCC(=O)Nc1ccccc1Oc1ccccc1 3403997 VHTAIUMIGFCYKQ-UHFFFAOYSA-N 374.396 4.377 30 40 FIEB COc1ccc(/N=C2\C(=O)N(C(=O)c3ccc(C)cc3)c3ccccc32)cc1 5698618 VKVBYFRRFYXLHH-FLFQWRMESA-N 370.408 4.311 30 40 FIEB CCOc1ccccc1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O 409406315 XGCDRMTYIZURPA-UHFFFAOYSA-N 369.424 4.344 30 40 FIEB C=CCN1C(=O)N/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C1=O 409138823 INMXRSWLDOCDQX-NTEUORMPSA-N 363.200 4.332 30 40 FIEB CCCCOC(=O)c1ccc(/N=C/c2ccc(O[C@H](C)C(=O)O)cc2)cc1 39557334 IFRDNVZVCRJSLU-QQHUYRGFSA-N 369.417 4.246 30 40 FIEB C=CCc1cccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)c1O 98086481 ITBURWMZCQNIQA-GZTJUZNOSA-N 369.417 4.496 30 40 FIEB CC(=O)Nc1ccc(/C=C2/S/C(=N/c3ccccc3Cl)NC2=O)cc1 5824961 PIKKXHWOJMLSMN-MHWRWJLKSA-N 371.849 4.190 30 40 FIEB N#Cc1ccccc1Cn1c2nc(=N)c3ccccc3c-2nc2ccccc21 1772768859 VNGXJYBUAVOJRX-UHFFFAOYSA-N 361.408 4.089 30 40 FIEB O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1cccs1)Nc1nonc1N2 40267179 GBXYZFBNVDHXJQ-SJKOYZFVSA-N 364.430 4.111 30 40 FIEB O=C1N/C(=N/c2ccccc2Cl)S/C1=C\c1ccc([N+](=O)[O-])cc1 2765583 CGGPYFQTNWFXSU-ZROIWOOFSA-N 359.794 4.140 30 40 FIEB Cc1ccc(/N=C2\S/C(=C/c3ccc(C(=O)O)cc3)C(=O)N2C)cc1C 4660328 BPIGTWSXVILZIK-OUYOUGTCSA-N 366.442 4.235 30 40 FIEB C#CCOC(=O)[C@H](C)Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1 6020217 ASALLPQQHGTWEF-NSHDSACASA-N 366.200 4.124 30 40 FIEB in-vitro COc1ccc(/N=C/c2cccn2-c2ccc(Br)cc2)cn1 15227486 QTSSDMAHBSXBSY-XDHOZWIPSA-N 356.223 4.394 30 40 FIEB COc1ccc(C(=O)/C(=C/Nc2ccccc2C)C(=O)C(F)(F)F)cc1 100862316 LLNSOIYMQXBKTQ-PTNGSMBKSA-N 363.335 4.314 30 40 FIEB N#Cc1c(Cc2ccccc2Cl)nn(Cc2ccc(Cl)cc2)c1N 225840203 JWCJBZHGOGOPCU-UHFFFAOYSA-N 357.244 4.283 30 40 FIEB Cc1ccc(CN2CCC[C@H]2c2cccc(Nc3ccc(C#N)nc3)n2)nc1 585294477 GFLZMEMEVFOUSY-NRFANRHFSA-N 370.460 4.132 30 40 FIEB C=C(C)C(=O)Nc1ccc(C(=O)Nc2nc3ccc(OC)cc3s2)cc1 825606 SFWHHOFQMPMKTL-UHFFFAOYSA-N 367.430 4.072 30 40 FIEB C=CCOc1ccc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)cc1 2678010 UKEQJOZPNQEQTM-LFIBNONCSA-N 357.456 4.246 30 40 FIEB N#CCCn1cc(C(=O)Nc2ccc(Cl)cc2)c(-c2cccs2)n1 4516877 XZKARHXQYYLILB-UHFFFAOYSA-N 356.838 4.431 30 40 FIEB CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccccc1C)C2=O 5193402 JTJLFKJOEBPMJM-UNOMPAQXSA-N 351.402 4.452 30 40 FIEB CCCCCCOc1ccc([C@@H]2C(C(C)=O)=C(C)Nc3ncnn32)cc1 6756366 YKDOQEWPYIVKGB-LJQANCHMSA-N 354.454 4.115 30 40 FIEB CCOc1cccc(/C=C2\SC(=Nc3cc(C)ccc3OC)NC2=O)c1 408859277 RVUVTWADRXQYRX-PDGQHHTCSA-N 368.458 4.294 30 40 FIEB C=CCOc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3cc(OC)ccc32)cc1 219643065 UTJCXMVMTJAPAG-LJQANCHMSA-N 367.445 4.292 30 40 FIEB CC(=O)C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1ccc(C)cc1 813566 PHSAMILDQDWAIE-NRFANRHFSA-N 374.440 4.003 30 40 FIEB C/N=c1/scc(-c2ccccc2F)n1/N=C/c1ccc(SC)cc1 103371857 WYHZNRGAXIJZTG-VBCBBWKMSA-N 357.479 4.490 30 40 FIEB CC1(C)CC(=O)C=C(NCC(F)(F)C(F)(F)C(F)(F)C(F)F)C1 101084825 LDXQTQRDPDLBGU-UHFFFAOYSA-N 353.253 4.020 30 40 FIEB COC(=O)c1cccc(N/C=C/C(=O)c2ccc(Br)cc2)c1 44843445 PZUZHALVWUVVNM-MDZDMXLPSA-N 360.207 4.044 30 40 FIEB N#Cc1nc(-c2ccco2)oc1NC[C@@H](c1cccs1)N1CCCC1 27992932 ALBLHKSQFITJBT-AWEZNQCLSA-N 354.435 4.117 30 40 FIEB C[C@@H](c1ccc(Cl)cc1Cl)N(C)CC(=O)NC1(C#N)CCCCC1 48343298 ZICZGHGGIYCPPA-ZDUSSCGKSA-N 368.308 4.329 30 40 FIEB Cc1nn(Cc2cccc(Cl)c2)c(C)c1NC(=O)c1cccc(C#N)c1 28303787 CYPRSHNMBMDZSX-UHFFFAOYSA-N 364.836 4.326 30 40 FIEB COc1ccc(/N=C2\NC(=O)/C(=C/c3c(F)cccc3Cl)S2)cc1 6545041 KNRQTWSYUZLHMM-DHDCSXOGSA-N 362.813 4.379 30 40 FIEB C=CCOc1ccc(C(=O)NCc2csc(-c3ccccc3)n2)cc1 15832340 HMVJTABHRFBROE-UHFFFAOYSA-N 350.443 4.305 30 40 FIEB N#Cc1nc([C@H]2C[C@@H]2c2ccccc2)oc1N1CCN(c2ccccc2)CC1 96346645 UQVAUVPNCAHIOZ-UXHICEINSA-N 370.456 4.144 30 40 FIEB Cc1ccc(-c2nc(C#N)c(NC[C@H](C)N3C[C@H](C)C[C@@H](C)C3)o2)cc1 1775965015 QAAYMOAWVASRHC-ZACQAIPSSA-N 352.482 4.300 30 40 FIEB N#Cc1ccc(C2=CCN(C(=O)c3ccc4c(c3O)CCCC4)CC2)cc1 612557041 KFCVMUVDBIITOL-UHFFFAOYSA-N 358.441 4.072 30 40 FIEB O=C(C/C=N/OCc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2)no1 4084973 FYVVACJAZRBLSW-RGVLZGJSSA-N 365.345 4.025 30 40 FIEB O=C(O)/C=C(\F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 144174417 BKOBFLVYTXYFQZ-UPHRSURJSA-N 358.078 4.028 30 40 FIEB in-vitro Cc1cc(N(CCC#N)CCC#N)ccc1/C=C\C(=O)Nc1ccccc1 5732462 DMYHLWRWMVTAIA-BENRWUELSA-N 358.445 4.281 30 40 FIEB Cc1ccc(N(CCC#N)C(=O)CN2CCC[C@H]2c2cccs2)cc1 29122442 SRTTXSADWWZBNN-SFHVURJKSA-N 353.491 4.140 30 40 FIEB Cc1cc(C)c(O)c(/N=C/c2c(C)c(C#N)c3nc4ccccc4n3c2O)c1 2843456 YPAZHDUCQHAVIP-BHGWPJFGSA-N 370.412 4.446 30 40 FIEB Cc1cc(N/N=C/c2ccc(OCC(=O)O)cc2)nc2ccc(Cl)cc12 7065057 BVZGZOAVQUMTDH-UFFVCSGVSA-N 369.808 4.106 30 40 FIEB CCc1ccc(N/N=C2\C(=O)N(C3CSC3)c3ccc(CC)cc32)cc1 223725495 PLTVASDKCZUGMA-ATJXCDBQSA-N 365.502 4.090 30 40 FIEB CC1(C)[C@H]2CC[C@]1(C)C(=O)/C2=C\C(=O)OC[C@@H]1C(=O)[C@@]2(C)CC[C@H]1C2(C)C 245239182 GFUKRGMWZLCMQM-PSODDDIZSA-N 372.505 4.123 30 40 FIEB C=CCOc1ccc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc1OC 409041191 ZRMLJJJCPCEZLF-YBEGLDIGSA-N 363.504 4.117 30 40 FIEB C=CCn1c(SCC(=O)Nc2ccc(CC)cc2)nnc1-c1ccco1 2422149 WOHHQQYDUOUFCX-UHFFFAOYSA-N 368.462 4.017 30 40 FIEB COc1ccc(-n2c(SCC#N)nnc2-c2ccccc2)cc1Cl 2622606 ZYLDLALPRXPUGZ-UHFFFAOYSA-N 356.838 4.212 30 40 FIEB C=CCn1c([C@@H]2CC(=O)N(c3cccc(SC)c3)C2)nc2ccccc21 4033605 HJUGGMLDQGLBCR-OAHLLOKOSA-N 363.486 4.465 30 40 FIEB C=CCn1c(SCCOCC)nc2scc(-c3ccccc3)c2c1=O 7059415 HTNJORLJOHEHLW-UHFFFAOYSA-N 372.515 4.440 30 40 FIEB CCc1nc(SCc2ccc(C(=O)OC)cc2)c(C#N)c2c1CCCC2 12249716 CJYUHWYEEQNLOV-UHFFFAOYSA-N 366.486 4.473 30 40 FIEB Cc1ccc(NC(=O)C2CCN(c3c(C#N)cnc4ccccc34)CC2)cc1 38654393 HCFDUPRCPGQRJJ-UHFFFAOYSA-N 370.456 4.270 30 40 FIEB C#CCSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1 45952104 YIPKHFJMCPTIJX-UHFFFAOYSA-N 370.275 4.422 30 40 FIEB Cc1cnn(-c2ccc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)cc2)c1 48830197 DKSFSWGAHJJXFW-MRXNPFEDSA-N 370.334 4.085 30 40 FIEB Cc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2ccccn2)cc1 100136378 RMCVKWXJZKBMDA-NHFXJNLRSA-N 370.408 4.016 30 40 FIEB CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N/C1CCCCCC1 103462503 OWSGANUDKUHUCQ-XGIGFIBQSA-N 373.522 4.058 30 40 FIEB C/C(=N\NC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccc(O)cc1O 105503908 LDNPTTUAIPADSS-UFWORHAWSA-N 370.261 4.115 30 40 FIEB C=CCOc1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 113892001 USAIUDSCGRSSEA-UHFFFAOYSA-N 358.246 4.359 30 40 FIEB C=CCOc1ccc(NC(=O)C2(C)COC(c3ccc(F)cc3)OC2)cc1 225919633 BQPNRWRYIJKPGI-UHFFFAOYSA-N 371.408 4.081 30 40 FIEB O=S(=O)(NCc1ccc(/C=N/c2ccc(Cl)cc2)o1)c1ccccc1 408786668 UMDCXJHWJNHMFZ-UDWIEESQSA-N 374.849 4.162 30 40 FIEB CC1=C(C)C[C@@H](C(=O)Nc2sc3c(c2C#N)CCCCC3)[C@H](C(=O)O)C1 2793059 NKTRLUSSRPFGFM-HUUCEWRRSA-N 372.490 4.274 30 40 FIEB COc1ccc(C(=O)/C=C/Nc2ccc(Br)cc2)cc1OC 4179402 OYKZQJKHRYLSTE-MDZDMXLPSA-N 362.223 4.275 30 40 FIEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(-c3ccc(F)cc3)o2)c([N+](=O)[O-])c1 5004579 JNNLKWIYNKZHOA-VXLYETTFSA-N 370.296 4.348 30 40 FIEB O=C(Cc1ccccc1)Oc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1 6222914 RVRCUPUBDWQPRI-UHFFFAOYSA-N 368.388 4.297 30 40 FIEB C=CCNC(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1 6513841 FFPZITDFOQHUNV-UHFFFAOYSA-N 371.893 4.132 30 40 FIEB CC(C)c1ccc(CN(C2CC2)S(=O)(=O)c2cccc(C#N)c2)cc1 14198014 UZWUDXWMETXVDS-UHFFFAOYSA-N 354.475 4.035 30 40 FIEB CCOc1ccc([C@@H]2C3=C(CCCC3=O)Nc3cc4c(cc32)OCO4)cc1 18196786 MUMNBKODPUZJJM-NRFANRHFSA-N 363.413 4.379 30 40 FIEB COc1ccc(/C=N\Nc2nc(-c3cccs3)c(NC(C)=O)s2)cc1 31906045 WWEWMLYFRAWJHR-ZDLGFXPLSA-N 372.475 4.285 30 40 FIEB C=CCN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 224710583 NSGRHRPEAPJKBS-UHFFFAOYSA-N 372.273 4.383 30 40 FIEB C=CCn1c(CCCCCCC)nnc1SCC(=O)N1CCCCC1 408560526 JOQBUOGQCKIKJZ-UHFFFAOYSA-N 364.559 4.082 30 40 FIEB COc1cc(N2CCCC2)c(OC)cc1/C=N/c1ccc([N+](=O)[O-])cc1C 409089698 OYWJQPOTAYBLDM-FYJGNVAPSA-N 369.421 4.271 30 40 FIEB CCOc1ccc2nc(SCC(=O)NC3CCCCC3)c(C#N)cc2c1 907360 YCYLCPQSSKEJHH-UHFFFAOYSA-N 369.490 4.046 30 40 FIEB CCN1CC[C@](O)(/C=C\c2ccccc2)[C@H](C(=O)/C=C\c2ccccc2)C1 8652723 ZXMJHHNQOAEYKW-WZKBOYQBSA-N 361.485 4.055 30 40 FIEB C=CCNc1nn(-c2ccc(F)cc2)c2c1C(=O)C[C@H](c1ccco1)C2 9936418 XKERUGXRURHPAZ-CYBMUJFWSA-N 351.381 4.115 30 40 FIEB COc1ccc(Cn2cc(-c3ccc(Cl)cc3)cc(C#N)c2=O)cc1 1388552 XWBWVYZEXSEKCU-UHFFFAOYSA-N 350.805 4.097 30 40 FIEB Oc1ccc(Br)cc1/C=N/N=C1/C[C@H](c2ccccc2)N=N1 13563792 IUTUYKAZMWANOF-FZWIEUJTSA-N 357.211 4.484 30 40 FIEB COCCN1C(=O)/C(=C/c2cccc(F)c2)S/C1=N\c1ccccc1 4526068 XQTZAJPVBCGTGV-MIZVFFBBSA-N 356.422 4.076 30 40 FIEB C=CCn1c(S[C@@H](C)C(C)=O)nc2scc(-c3ccccc3)c2c1=O 15276985 QGMNSSREAMFPKI-ZDUSSCGKSA-N 370.499 4.381 30 40 FIEB C=C(C)COc1cccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 219781759 OHBQQWLNYGWCNF-UHFFFAOYSA-N 370.880 4.257 30 40 FIEB CCCOc1c(/C=C/C(=O)c2ccc3c(c2)OCO3)cccc1OCC 5129226 HVNYDLVUOCSYNV-CSKARUKUSA-N 354.402 4.499 30 40 FIEB Cc1cc(C2=NN/C(=N\c3ccccc3)SC2)c(C)n1C[C@H]1CCCO1 5895381 LFXKXSDBQUSAHV-QGZVFWFLSA-N 368.506 4.012 30 40 FIEB C=CCOc1ccc2c(c1)c(C(=O)OCC)c(C)n2Cc1cccnc1 217765040 NXQPRXXIRBJTBW-UHFFFAOYSA-N 350.418 4.135 30 40 FIEB O=C1/C(=C/c2c[nH]c3ccccc23)Oc2c1ccc(O)c2CN1CCCC1 2327428 JUGLJQQLRSXMGA-JAIQZWGSSA-N 360.413 4.086 30 40 FIEB CCCCCCOc1ccc(/C=N/N2C(=O)c3ccccc3C2=O)cc1 3265918 JODIRIJYZUBISS-PXLXIMEGSA-N 350.418 4.276 30 40 FIEB Cc1cccc(/N=C(/N=C(\O)C(F)(F)F)Nc2nc(C)cc(C)n2)c1 4740148 NMBKGYHNBBPPLK-UHFFFAOYSA-N 351.332 4.020 30 40 FIEB N#Cc1ccsc1NC(=O)COc1ccc(OCc2ccccc2)cc1 6582558 KQURNUKTBWYMLP-UHFFFAOYSA-N 364.426 4.216 30 40 FIEB C[C@@H](Oc1ccc(C(=O)/C=C/c2ccccc2C(F)(F)F)cc1)C(=O)O 6628306 FKXUXHFGMHGAJZ-JATZPVMKSA-N 364.319 4.453 30 40 FIEB C=CCNC(=O)[C@H](C)Sc1ncnc2scc(-c3ccc(C)cc3)c12 7822080 FCGMSLMIYDMLDT-ZDUSSCGKSA-N 369.515 4.450 30 40 FIEB C=CCn1c(=O)c(C(=O)Nc2cc(Cl)ccc2C)c(O)c2ccccc21 12414640 BESWVFAPESPSRG-UHFFFAOYSA-N 368.820 4.107 30 40 FIEB CC(=O)c1cc(C#N)c(SCc2c(F)c(F)c(F)c(F)c2F)nc1C 12750028 PWROCLZMXQSLET-UHFFFAOYSA-N 372.318 4.452 30 40 FIEB Cc1ccc(C(=O)/C=C/Nc2ccc([N+](=O)[O-])cc2Br)cc1 100705558 PUSARRHXBPYNEK-CMDGGOBGSA-N 361.195 4.474 30 40 FIEB C=CCN(c1ccccc1OCC)S(=O)(=O)c1ccc(Cl)cc1 224703738 VIRPWPITHHJOPW-UHFFFAOYSA-N 351.855 4.120 30 40 FIEB COc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc(Cl)c1O 408899038 SARCXISZJFEWLW-UHFFFAOYSA-N 374.820 4.182 30 40 FIEB Cc1cc(Cl)c(C)c(S(=O)(=O)Oc2ccccc2C#N)c1Cl 20822683 AWKYBUKZADIIID-UHFFFAOYSA-N 356.230 4.250 30 40 FIEB C[C@@H](Sc1nc2ccc(Cl)cc2[nH]1)C(=O)Nc1sccc1C#N 12531043 CTCYAEDIVZFWSQ-MRVPVSSYSA-N 362.867 4.269 30 40 FIEB C=CCOc1ccc(/C=C/C(=O)Nc2ccc3oc(C)nc3c2)cc1OC 12914979 ABWGFAWZMNELHK-UXBLZVDNSA-N 364.401 4.362 30 40 FIEB C[C@H]1S/C(=N\N=C\c2ccco2)N(Cc2cccc3ccccc23)C1=O 6763859 QDNYYBSBHHRRTN-LZKUZYFISA-N 363.442 4.287 30 40 FIEB CCN1C(=O)/C(=C/c2cccc(OC)c2O)S/C1=N/c1ccc(F)cc1 409253508 VICBIZSPDLKFRQ-DDRRTAJHSA-N 372.421 4.164 30 40 FIEB Cc1ccc(-n2cccc2/C=N/Nc2ccc([N+](=O)[O-])cn2)cc1Cl 409014398 PLBJZMWNAUSBKE-RGVLZGJSSA-N 355.785 4.188 30 40 FIEB Cc1ccc(Cc2nc(SCc3ccccc3C)nc(N)c2C#N)cc1 223673139 PFHYWAHDUITVON-UHFFFAOYSA-N 360.486 4.430 30 40 FIEB S=C(NCCc1ccccc1)N/N=C/c1cccc(Cl)c1Cl 3240698 NVKXIZWESDLKAV-RGVLZGJSSA-N 352.290 4.034 30 40 FIEB COc1ccc(/C=C2\S/C(=N\c3ccc(F)c(Cl)c3)NC2=O)cc1 5376425 ODHLCJZAMDOAST-NVNXTCNLSA-N 362.813 4.379 30 40 FIEB CCCOc1ccc(/C=N\OCC(=O)Nc2cccc(C)c2C)cc1OC 35330739 JDIXGKUTZLMKHG-XKZIYDEJSA-N 370.449 4.090 30 40 FIEB CC(C)c1ccc([C@@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ncnn32)cc1 6670416 WOTJNLLYGXVBTQ-HRAATJIYSA-N 374.444 4.410 30 40 FIEB Cc1ccc2nc(SCC(=O)N[C@@H]3CCCC[C@@H]3C)c(C#N)cc2c1 1222325 OBYDIAGTKPXSAJ-WMLDXEAASA-N 353.491 4.202 30 40 FIEB CCCCCCCCNC(=O)C(=O)Nc1nc(-c2ccccc2)cs1 100562538 YZFVBFXUOOLDSU-UHFFFAOYSA-N 359.495 4.225 30 40 FIEB O=C1C(=O)N(c2ccc(F)cc2)[C@H](c2ccccc2)/C1=C(\O)c1ccccc1 102925525 WAZBIZRDEGJKCF-YDJIHCHBSA-N 373.383 4.452 30 40 FIEB Cn1c([C@H](C#N)C(=O)COc2ccc(Cl)cc2Cl)nc2ccccc21 12575643 BQIRCFWBKHRLLU-GFCCVEGCSA-N 374.227 4.135 30 40 FIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCCc4ccc(F)cc4)[C@H]3C[C@@H]12 12661362 IJPCICXBQIEOKE-DLBZZEGUSA-N 371.496 4.272 30 40 FIEB biogenic O=C(CSc1ccncc1)Nc1cccc(C#Cc2cccs2)c1 27860071 KBXMQIFZYBTTMU-UHFFFAOYSA-N 350.468 4.274 30 40 FIEB C=CCn1c(SCc2c(C)noc2C)nc2ccc(Cl)cc2c1=O 13137554 ZNYMPZXIDFUUGX-UHFFFAOYSA-N 361.854 4.133 30 40 FIEB CN(C)/C=N/C(=O)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 5197770 RPYZCGUDCHKDIM-LSFURLLWSA-N 371.746 4.276 30 40 FIEB C=CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(C)cc1 14082388 FVALRWRWOBGICS-UHFFFAOYSA-N 364.474 4.170 30 40 FIEB COc1ccc(-c2oc3ccc(Cl)cc3c(=O)c2OCC#N)cc1OC 5607549 SUDMEYYTXYRCTF-UHFFFAOYSA-N 371.776 4.033 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccco2)C[C@@H]1c1c(F)cccc1Cl 4919512 VLOPTDYJUKGJRK-XIKOKIGWSA-N 362.784 4.391 30 40 FIEB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(N2CCCC2=O)c1 7350157 CDQGXXITGIYTQH-VQHVLOKHSA-N 370.792 4.271 30 40 FIEB CCc1ccc(/N=C2\NC(=O)/C(=C/c3cc(Cl)ccc3O)S2)cc1 18254945 DVFYUKYAOZHPCN-YBEGLDIGSA-N 358.850 4.500 30 40 FIEB C=CCn1cnnc1S[C@H](C)C(=O)N(CC)c1cccc2ccccc12 7736954 NVLUSIYLLPAWIH-OAHLLOKOSA-N 366.490 4.151 30 40 FIEB Cc1nn(Cc2ccccc2)c(C)c1/C=C/C(=O)c1ccc2c(c1)OCO2 7743731 DAHHGGWLSLHEON-MDZDMXLPSA-N 360.413 4.173 30 40 FIEB COc1cc(/C=N\Nc2ccc(C(F)(F)F)cc2)cc(OC)c1OC 408942372 XOONXHNNZYNYBM-FBHDLOMBSA-N 354.328 4.177 30 40 FIEB C/N=C1/S/C(=C\c2ccccc2OCc2cccc(C)c2)C(=O)N1C 408844268 HPBYJKJDFVCSNW-UMWYYCSLSA-N 352.459 4.106 30 40 FIEB C=CCc1cc(C(=O)NCCCc2ccc(OCC)cc2)ccc1OC 218657146 GVMWWYIEDFGJGV-UHFFFAOYSA-N 353.462 4.185 30 40 FIEB Cc1cc(C)c2nc(SCC(=O)N[C@@](C)(C#N)C(C)C)cc(C)c2c1 6044097 MSDLDZSTSAHZNG-FQEVSTJZSA-N 355.507 4.307 30 40 FIEB CC(=O)Oc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)cc1C#N 225679291 RKTPJICADMPVKS-UHFFFAOYSA-N 362.429 4.243 30 40 FIEB Cc1cc2cc(B3OC(C)(C)C(C)(C)O3)ccc2n1C(=O)OC(C)(C)C 685945586 UUTLDZCKRIDXNB-UHFFFAOYSA-N 357.259 4.032 30 40 FIEB CCCCCOc1ccc(/C=N/Nc2ccc(C(=O)O)cc2)cc1OC 4137347 CQOICJYSPGNKFX-KGENOOAVSA-N 356.422 4.408 30 40 FIEB COc1cc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccc1F 575243171 UZHSRDIJQNFFFP-UHFFFAOYSA-N 372.158 4.485 30 40 FIEB CCOc1ccccc1/C=C1\Oc2c(ccc(O)c2CN2CCCC2)C1=O 20624486 MDBRMWNNSHKTDY-MOSHPQCFSA-N 365.429 4.003 30 40 FIEB CC(C)n1c(SCC(=O)NC2(C#N)CCCCC2)nc2ccccc21 6104860 MQEGOUIGVQFTFP-UHFFFAOYSA-N 356.495 4.052 30 40 FIEB Cc1nc2n(n1)[C@H](c1ccccc1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 5347529 ORZJITOAMQSLNL-LAUBAEHRSA-N 356.429 4.002 30 40 FIEB COCCN1C(=O)/C(=C/C(C)=C/c2ccco2)S/C1=N\c1ccccc1 4526064 BHKPVMOZBPAVKJ-SXERHXCVSA-N 368.458 4.476 30 40 FIEB N/C(=N/OCc1cc(-c2ccccc2)no1)c1cccc(C(F)(F)F)c1 84560150 UMHBNWVTBUCUAZ-UHFFFAOYSA-N 361.323 4.198 30 40 FIEB COc1ccc2c(c1)-c1nc(/N=C/c3ccc4c(c3)OCO4)sc1CC2 408722898 OBDHTCVGTNSVKB-UFFVCSGVSA-N 364.426 4.397 30 40 FIEB COc1cccc(/C=N/c2ccc(F)c(Cl)c2)c1O[C@@H](C)C(=O)O 409242285 QHTYNXUCKUIPQO-YPZZKDGISA-N 351.761 4.090 30 40 FIEB CC1(c2cccc(Br)c2)CCN(C[C@H](C#N)CCC#N)CC1 509049790 TVHONJWNUFUQNW-HNNXBMFYSA-N 360.299 4.246 30 40 FIEB CCCCCCCc1c(O)nc(SCCN(CCC)CCC)[nH]c1=O 97951695 SURBLSXGSQTUAP-UHFFFAOYSA-N 369.575 4.203 30 40 FIEB CN(Cc1cccs1)C(=O)COc1ccc(-c2ccc(C#N)cc2)cc1 3403987 RDFDLEFMTWVFNF-UHFFFAOYSA-N 362.454 4.324 30 40 FIEB C/C(=N\OCC(=O)Nc1ccc(SC(F)F)cc1)c1cccs1 5494754 YOBXJEHCKHGERB-VXLYETTFSA-N 356.419 4.442 30 40 FIEB CC1=C(C(=O)OCC(C)C)[C@H](c2ccccc2)C2=C(N1)c1ccccc1C2=O 19228808 BIVUHRPIBQMTBM-FQEVSTJZSA-N 373.452 4.454 30 40 FIEB CCCC/N=C1\S/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1CCCC 35042054 CQEQQGWCHOPFPC-XLTGVJEBSA-N 361.467 4.467 30 40 FIEB Cc1nnc(S)n1/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 45926794 GSSHVKULWKGMCK-REZTVBANSA-N 353.234 4.324 30 40 FIEB N#Cc1cc(C(=O)N(Cc2ccccc2)CC2CCOCC2)ccc1Cl 95465234 SHRODSFDMKHPJQ-UHFFFAOYSA-N 368.864 4.281 30 40 FIEB C=CCOC(=O)c1ccc2[nH]c(-c3ccc(Br)cc3)nc2c1 226235616 GBTTYGBYFWDPMY-UHFFFAOYSA-N 357.207 4.335 30 40 FIEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(C)c([N+](=O)[O-])c3)S2)cc1 408759961 OZPUHCRKRVWEAG-BOPFTXTBSA-N 367.430 4.357 30 40 FIEB COC(=O)c1c(/N=C/c2cccc(OC)c2O)sc2c1CC[C@@H](C)C2 830540 AGLKFGAQMBQFDE-JZOCJUILSA-N 359.447 4.124 30 40 FIEB O=c1n(C[C@@H]2CO2)c(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1 2275816 GZAGLVFYTYMSBJ-OAQYLSRUSA-N 368.436 4.372 30 40 FIEB CCn1c2ccccc2c2cc(/C=N/n3c(C)cc(C)c(C#N)c3=O)ccc21 4090171 NSVTUYGKDWPIDP-AFUMVMLFSA-N 368.440 4.347 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2cccs2)C[C@@H]1c1ccc(OC)cc1 4119642 AUJXMNWHWIFADL-VQIMIIECSA-N 356.443 4.076 30 40 FIEB CCN1C(=O)/C(=C\c2cc3c(cc2C)OCO3)S/C1=N/c1ccccc1 4664334 VCIUISCFXZRITH-DRJFBDSASA-N 366.442 4.348 30 40 FIEB Cc1ccc(/C=N/N=C2/S[C@H](C)C(=O)N2Cc2ccc(F)cc2)c(C)c1 4935925 XMKWKFDLZXGMOH-KJYJHBNDSA-N 369.465 4.297 30 40 FIEB COc1ccc(OC)c(/N=C/c2cc(Br)cc(C)c2O)c1 5540138 RCURJPAEUBLHSI-GIJQJNRQSA-N 350.212 4.231 30 40 FIEB CCOc1cccc(/C=C2/S/C(=N/c3ccccc3Cl)NC2=O)c1O 6596074 WKUZSZUHVCEXGN-XNTDXEJSSA-N 374.849 4.336 30 40 FIEB COc1ccc(/C=N/NCc2ccccc2Cl)cc1Br 8811313 DRMJFXBYRSKHBZ-GIJQJNRQSA-N 353.647 4.235 30 40 FIEB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCCS/C1=N\c1ccccc1 12542039 MTQAVFOKAAUHNP-HHYHAGCXSA-N 366.442 4.082 30 40 FIEB CC(=O)Nc1ccc2c(c1)/C(=N\c1ccc(C(=O)O)cc1)c1ccccc1-2 12671269 GWEBVBWBASDHFZ-FLFQWRMESA-N 356.381 4.493 30 40 FIEB in-vitro O=C1CS/C(=N\N=C\c2cccs2)N1Cc1cccc2ccccc12 13564299 LVYGORDCHAMRGC-YOPNLDQXSA-N 365.483 4.367 30 40 FIEB CCO[C@@H]1Oc2ccc(C)cc2C(=O)/C1=C/Nc1ccc(Cl)cc1O 16687953 BMAYQGMWOGTFPN-LMICACPXSA-N 359.809 4.288 30 40 FIEB O=[N+]([O-])c1ccc(O)c(/C=N/Nc2c3ccccc3nc3ccccc23)c1 17428431 FHLGDQDRBAZTID-CIAFOILYSA-N 358.357 4.448 30 40 FIEB CN(Cc1ccccc1)Cc1c(O)ccc2c1O/C(=C\c1ccncc1)C2=O 20519050 ZYBHPSDDIOOJIH-BKUYFWCQSA-N 372.424 4.035 30 40 FIEB CCOc1cc([C@@H]2C(C(C)=O)=C(C)Nc3nc4ccccc4n32)ccc1O 20672633 QDABPMQRSZNDMT-HXUWFJFHSA-N 363.417 4.019 30 40 FIEB COc1ccc(CNC(=O)C[C@@H]2C[C@@H](C(C)C)[C@H](CC#N)C=C2C)cc1 30882494 FSWAGLIKVZLHNV-DYXWJJEUSA-N 354.494 4.470 30 40 FIEB biogenic,in-vitro CCN(CC(=O)N(CCC#N)c1ccc(C)cc1)[C@@H](C)c1cccc(O)c1 72308231 SEPOTTSYJRMJQJ-SFHVURJKSA-N 365.477 4.030 30 40 FIEB O=C(COc1ccc(/C=N\c2ccccc2F)cc1)NC1CCCCC1 408811384 QXDLHCQEYJJYGO-UCQKPKSFSA-N 354.425 4.404 30 40 FIEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(Cl)cc1 654782 XDBXAJKKOZZJCE-KRWDZBQOSA-N 365.816 4.081 30 40 FIEB C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C#N)cc2)nc2ccccc21 4492825 OEFAFEZBJPRRNR-AWEZNQCLSA-N 362.458 4.213 30 40 FIEB O=C1C(O)=C(/C=C\C(C(F)(F)F)C(F)(F)F)C(=O)c2ccccc21 4880041 QDLKRNRZBLFMMG-WAYWQWQTSA-N 350.214 4.175 30 40 FIEB CCOc1ccc(/C=N/Nc2ncc(C(F)(F)F)cc2Cl)c(O)c1 4965615 KITQRUQTMLYLRB-QPSGOUHRSA-N 359.735 4.304 30 40 FIEB CCCCc1ccc(C[C@@H]2S/C(=N/N=C/c3cccs3)NC2=O)cc1 6264738 HTXYFDZAXJLDDY-NNIWKIFQSA-N 371.531 4.255 30 40 FIEB COc1ccc(-c2csc(NC(=O)[C@@H]3CC=CCC3)n2)cc1CC#N 9479809 KGIFKWGSKGHIDX-CYBMUJFWSA-N 353.447 4.180 30 40 FIEB Cc1c(C(=O)Nc2ccccc2C#N)sc2nc(-c3ccccc3)cn12 10069125 WGQBNFPZXGTJDQ-UHFFFAOYSA-N 358.426 4.495 30 40 FIEB COc1ccc(OC)c(/C=N/O[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)c1 24036899 BKKFQIWGMWYGTQ-LTNVFZTJSA-N 370.449 4.007 30 40 FIEB CCSc1nnc(C)n1/N=C/c1ccc(COc2ccccc2C)o1 36611400 PSTFEDLHTOTZAW-YBFXNURJSA-N 356.451 4.061 30 40 FIEB CCN(C(=O)c1cccc(-n2cccn2)c1)c1ccc(C#N)c(Cl)c1 89969436 KOCYRGJVMPJIQU-UHFFFAOYSA-N 350.809 4.064 30 40 FIEB CCCCCCCCCNC(=O)C(=O)Nc1ccccc1Br 100999814 XZRGZECPOKGYLI-UHFFFAOYSA-N 369.303 4.254 30 40 FIEB O=C(/C=C/Nc1cc([N+](=O)[O-])ccc1O)c1ccc(Cl)c(Cl)c1 101406817 PPLNHBJAIHQYCZ-AATRIKPKSA-N 353.161 4.416 30 40 FIEB CCOC(=O)[C@H](C#N)[C@H](c1ccco1)[C@@H]1C(=S)Sc2ccccc21 137651663 DFQWBJXAXWCZQR-DAXOMENPSA-N 357.456 4.283 30 40 FIEB CCCCc1ccc(C#N)c(SCC(=O)Oc2ccc(F)cc2F)n1 215681704 SUAXGYXJXLQVBR-UHFFFAOYSA-N 362.401 4.272 30 40 FIEB C=C(C)COc1cccc(C(=O)NCCCN2CCCc3ccccc32)c1 219794836 OQGBDQVSVKQJJH-UHFFFAOYSA-N 364.489 4.214 30 40 FIEB O=C1NC(=Nc2cccc(Cl)c2)S/C1=C/c1ccc([N+](=O)[O-])cc1 408749375 NTSKFKRFJKJXON-RIYZIHGNSA-N 359.794 4.140 30 40 FIEB COc1ccc2c(c1)O[C@H](C)C/C2=N/OC(=O)c1ccc(C)c(Cl)c1 409201050 UQZLODVYXMNFOL-ZZNSHVFXSA-N 359.809 4.389 30 40 FIEB CCOC(=O)c1sc(Nc2nc3ccccc3nc2Cl)c(C#N)c1C 3300088 ACHWBZSNHFJTFT-UHFFFAOYSA-N 372.837 4.445 30 40 FIEB Cc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\c1ccncc1)C2=O 5218455 SHHGUMDGNVERQI-NDENLUEZSA-N 357.365 4.225 30 40 FIEB COc1cc([C@@H]2C3=C(CCCC3=O)Nc3onc(C(C)(C)C)c32)ccc1O 20722237 VVOIWXBOOKBGRB-MRXNPFEDSA-N 368.433 4.251 30 40 FIEB O=C1/C(=C\c2ccccn2)CN(Cc2ccccc2)C/C1=C\c1ccccn1 31854569 HUIUATWSEZRUIB-TVGQLCNQSA-N 367.452 4.029 30 40 FIEB C=C1C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(C)=O 38610965 OKHAOBQKCCIRLO-IBVJIVQJSA-N 354.490 4.171 30 40 FIEB in-vitro O=C(COc1ccc(/C=N\c2ccc(F)cc2)cc1)NC1CCCCC1 100413152 GYWFFEOEWNBLOQ-UCQKPKSFSA-N 354.425 4.404 30 40 FIEB C=CCOc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)OCC)c2)cc1 219641530 VGXBTEJZOHIRLT-UHFFFAOYSA-N 359.809 4.334 30 40 FIEB C=CCOc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccc(OC)cc32)cc1 219642910 GVDYVDPCWQQJKR-LJQANCHMSA-N 367.445 4.292 30 40 FIEB CC1(C)COc2ccc(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2OC1 225372171 BRYLOYWDRMYEES-SOFGYWHQSA-N 353.374 4.288 30 40 FIEB C=CCOc1ccc(NC(=S)NCc2ccc(OC)c(OCC)c2)cc1 225771342 LFWDXJYGEKDMGE-UHFFFAOYSA-N 372.490 4.145 30 40 FIEB COc1cccc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)c1O 408911176 ZARZAXHSMZEDFR-MSYUKONTSA-N 368.458 4.413 30 40 FIEB COc1ccc2nc(SCC(=O)c3ccc(F)cc3)c(C#N)cc2c1 1354666 YPHIUKJNCSLMKB-UHFFFAOYSA-N 352.390 4.229 30 40 FIEB C#CCN1C(=O)S/C(=C/c2ccccc2OCc2ccc(F)cc2)C1=O 4550746 QJKDKZNAPLKTNE-LDADJPATSA-N 367.401 4.074 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2cccc(OC)c2)C[C@H]1c1ccccc1 4919044 RBVOOERNTLYBRI-PZJWPPBQSA-N 350.414 4.015 30 40 FIEB CCn1c2ccccc2c2cc(/N=C/c3c(CO)cnc(C)c3O)ccc21 5110588 VJCNXIWXRMJNOX-WYMPLXKRSA-N 359.429 4.466 30 40 FIEB O=C(/C(=N/Nc1ccc(F)cc1)C(=O)C(F)(F)F)c1ccc(Cl)cc1 5672293 HZOMNQYAYAKEPB-QRVIBDJDSA-N 372.705 4.261 30 40 FIEB Cc1sc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c(C#N)c1C 9142104 WBLPOCPCSDKBGK-GQCTYLIASA-N 361.810 4.450 30 40 FIEB C[C@H](Sc1nc2ccccc2n1CCC#N)C(=O)Nc1ccccc1F 12627623 BFKVEXRBKZYLRU-ZDUSSCGKSA-N 368.437 4.208 30 40 FIEB COC(=O)c1cc(N/N=C/c2ccccc2OC(F)F)ccc1Cl 14135959 IGXOQABNYZNOTO-AWQFTUOYSA-N 354.740 4.174 30 40 FIEB CC(=O)O[C@@]1(C#N)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 36025408 UJVLVOCWWBXPQK-VEYVBMQYSA-N 355.478 4.344 30 40 FIEB biogenic Cc1cccn2cc(-c3cccc(NC(=O)c4ccc(C#N)cc4)c3)nc12 585416635 DAJMBZYRRQXFKD-UHFFFAOYSA-N 352.397 4.434 30 40 FIEB N#Cc1cccc(OC2CCN(C(=O)c3sccc3C3CC3)CC2)c1 609185659 JQRCZGPELUAFCH-UHFFFAOYSA-N 352.459 4.181 30 40 FIEB C=CCOc1ccc(/C=C2/SC(=O)N(c3ccc(O)cc3)C2=O)cc1 2211203 YIGMFJQSZMQZCJ-SFQUDFHCSA-N 353.399 4.198 30 40 FIEB CCOc1ccc(/C=N/c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 3266074 GXTOHLASNDWMOQ-LTGZKZEYSA-N 372.490 4.011 30 40 FIEB CCN(CC)C(=O)c1sc(NC(=O)CCC2CCCC2)c(C#N)c1C 6046264 JNZWMAUOFPDXRZ-UHFFFAOYSA-N 361.511 4.319 30 40 FIEB C[C@H](Sc1nc2ccc(Cl)cc2[nH]1)C(=O)Nc1sccc1C#N 12531048 CTCYAEDIVZFWSQ-QMMMGPOBSA-N 362.867 4.269 30 40 FIEB O/C(Cc1ccc(Br)cc1)=N\c1nc(-c2ccccc2)n[nH]1 12776278 KMGISRHYAWPMEK-UHFFFAOYSA-N 357.211 4.065 30 40 FIEB C=CCN(C(=O)c1cc(O)nc2ccccc12)c1nc2ccccc2s1 12914739 UTRBMPQWJGVQAP-UHFFFAOYSA-N 361.426 4.383 30 40 FIEB COc1ccccc1CN/N=C/c1cccc(OCc2cccc(C#N)c2)c1 20762929 AZRMWKOZNDXHDW-MFKUBSTISA-N 371.440 4.270 30 40 FIEB C=CCn1c(SCc2cc(=O)oc3c(C)c(C)ccc23)nnc1C1CC1 21243417 MEMPMLGDHKOKIX-UHFFFAOYSA-N 367.474 4.357 30 40 FIEB O=C1NC2=C(C(=O)c3ccccc32)[C@@H](c2ccc(Oc3ccccc3)cc2)N1 28465812 CQIAOUJUQWYVEB-HXUWFJFHSA-N 368.392 4.440 30 40 FIEB O=C1C[C@@H](C(=O)Nc2cccc(C#Cc3ccccc3)c2)c2ccccc2N1 73717832 PRTRAFBDILQLQS-OAQYLSRUSA-N 366.420 4.151 30 40 FIEB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc(-c2cnco2)cc1 102125996 FLLJXRLSQOZFPO-KRWDZBQOSA-N 369.380 4.337 30 40 FIEB O=C(C[n+]1ccc2ccccc2c1)Nc1cc(C(F)(F)F)ccc1Cl 6872763 IEOKQSAQNXLJTC-UHFFFAOYSA-O 365.762 4.438 30 40 FIEB O=C(O)C(C(=O)/C=C/c1ccc(Cl)cc1Cl)=C1SCCS1 51329878 HOJZRUGBEMKWRF-DUXPYHPUSA-N 361.271 4.352 30 40 FIEB COc1ccc(/N=C2/C(=O)N3c4c2cc(OC)cc4[C@@H](C)CC3(C)C)cc1 12406428 GVHFQHAYRAHYQW-CKZKCJOCSA-N 364.445 4.457 30 40 FIEB CCCCc1nnc(/N=C(\O)c2sc(-c3ccccn3)nc2C)s1 23363739 DVRRUOMYSDGFQL-UHFFFAOYSA-N 359.480 4.344 30 40 FIEB Cc1cccc([C@H]2CC(=O)N(N(C)C)C3=C2C(=O)C[C@@H](c2ccccc2)C3)c1 1430116 HZHVIKCXPYCTJH-VQTJNVASSA-N 374.484 4.188 30 40 FIEB C=C(C)Cn1c(SCCC)nc2sc3c(c2c1=O)CC(C)(C)OC3 2182993 GUVWKQVSPZSVHO-UHFFFAOYSA-N 364.536 4.388 30 40 FIEB CCN(CCC(F)(F)F)C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 78993040 JWHLTWLBBQHLHC-UHFFFAOYSA-N 366.305 4.041 30 40 FIEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H](C)c1ccc(F)c(F)c1 12868147 OHVAUSXDSAJHQZ-NSHDSACASA-N 355.344 4.020 30 40 FIEB N#C[C@@H](NC(=O)CSCc1cccnc1)c1ccc(Cl)c(Cl)c1 68454191 HZUJDRMVIQLDBH-OAHLLOKOSA-N 366.273 4.003 30 40 FIEB C=CCN1C(=O)S/C(=C/c2ccc(OCC)c(Br)c2)C1=O 409072617 TZYJKPOISGYUCE-UKTHLTGXSA-N 368.252 4.070 30 40 FIEB C=CCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc(C)c(C)c1 30754056 NNMUPZBFSFVTJN-FQEVSTJZSA-N 366.461 4.015 30 40 FIEB N#Cc1ccc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)cc1 214094269 ARHJOTAJDAJBHA-CXUHLZMHSA-N 354.818 4.448 30 40 FIEB CCOc1ccc(N2C(=O)/C(=C\c3ccc(C#N)cc3)SC2=S)cc1 47080672 KGXFLQVJSIRIJF-GZTJUZNOSA-N 366.467 4.363 30 40 FIEB O=C1CS/C(=N/N=C/c2cccc3ccccc23)N1Cc1ccccc1 2219193 MPGUDOVOIJVNCH-OSWVXBLQSA-N 359.454 4.305 30 40 FIEB C=CCOc1c(Cl)cc([C@H]2NC(=O)c3ccccc3O2)cc1OCC 5001217 KSQAEGRHAFKKEG-IBGZPJMESA-N 359.809 4.125 30 40 FIEB C=CCOc1cccc(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c1 150003145 VFKZRQBGKLJSCC-UHFFFAOYSA-N 361.445 4.365 30 40 FIEB Cn1c(/N=C/c2cc(Cl)ccc2O)nc2ccc(Br)cc21 5728785 HUJZYYFXLPEOES-QGMBQPNBSA-N 364.630 4.445 30 40 FIEB O=S(=O)(OCCC[C@H]1C[C@@H]2C=C[C@H]1C2)c1ccc(Br)cc1 1720984 YWTFWGLNBUOVSE-IHRRRGAJSA-N 371.296 4.147 30 40 FIEB N#Cc1ccccc1Sc1ccccc1C(=O)NCCc1ccccn1 32657446 DIMJJEOAOHZFQU-UHFFFAOYSA-N 359.454 4.077 30 40 FIEB CCCCc1ccc(/C(C)=N/Nc2cc(-n3nc(C)cc3C)ncn2)cc1 4713139 DKMDXODXQYUOID-JJIBRWJFSA-N 362.481 4.458 30 40 FIEB C=CCOc1ccc(/C=C/C(=O)c2ccc(OC)cc2OC)cc1OC 6581387 IHPYIJCFAIXALE-UXBLZVDNSA-N 354.402 4.173 30 40 FIEB CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc2ccccc12 3098429 LFWNGSRUVVXXPC-NRFANRHFSA-N 361.441 4.371 30 40 FIEB COc1ccc(N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 12555677 DMKMTZFMHVCIDO-ZDUSSCGKSA-N 369.490 4.336 30 40 FIEB CCC(=O)Nc1c(C#N)c2nc3ccccc3nc2n1-c1ccccc1C 2283981 PYUCRCFUMZPGBF-UHFFFAOYSA-N 355.401 4.102 30 40 FIEB CCCCOc1ccc(/C=N/n2cnc3c([nH]c4ccc(C)cc43)c2=O)cc1 2293874 KALIMSIOVLVHNA-ZMOGYAJESA-N 374.444 4.247 30 40 FIEB Cn1cccc1/C=C1/S/C(=N\c2cc(Cl)cc(Cl)c2)NC1=O 2399657 CKZUDNADNYRDAY-MDWZMJQESA-N 352.246 4.224 30 40 FIEB CCSc1nc2n(n1)[C@@H](c1cccc(Cl)c1)C1=C(CCCC1=O)N2 4436170 IWQBNYVGBHCUCQ-HNNXBMFYSA-N 360.870 4.066 30 40 FIEB CSc1ccccc1/N=C/c1ccc(O)c(I)c1 408962058 GEGMBAMPEOCNNY-CXUHLZMHSA-N 369.227 4.469 30 40 FIEB CCn1cc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c2ccccc21 409034044 NAGPBFGNEQPRHG-QPJQQBGISA-N 355.257 4.375 30 40 FIEB C[C@H]1C[C@H](CNCc2cccc(OCc3cccc(C#N)c3)c2)CCO1 95457724 UZUQXLKXWPNQIR-FXAWDEMLSA-N 350.462 4.042 30 40 FIEB COc1cccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1OC 6174833 AOSKSIIYGAXLMT-AWQFTUOYSA-N 369.299 4.077 30 40 FIEB CN(Cc1ccc(C#N)cc1)C(=O)c1cc(Br)ccc1Cl 32615219 JDXKNTHUCFSPPU-UHFFFAOYSA-N 363.642 4.246 30 40 FIEB O=C(/C(=N\Nc1ccc(Cl)cc1)C(=O)C(F)(F)F)c1ccccc1 16790446 DQFXRDITGGVGHD-LPYMAVHISA-N 354.715 4.122 30 40 FIEB CCc1ccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 1959794 JRDOVMAAZXITDO-ZDUSSCGKSA-N 354.475 4.324 30 40 FIEB C=CCn1c(SC[C@@H]2CCCO2)nc2scc(-c3ccco3)c2c1=O 11597175 PFJUNIPYJGHMIQ-LBPRGKRZSA-N 374.487 4.175 30 40 FIEB C[C@H](NS(=O)(=O)c1cccc(C#N)c1)c1ccc(-c2ccccc2)cc1 15583373 FLDLNJNDBWUKGT-INIZCTEOSA-N 362.454 4.265 30 40 FIEB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N/c1ccc(Br)cc1 408740749 MFJJZIHXVPSPFZ-YDDPGSGASA-N 356.223 4.190 30 40 FIEB O=C1Nc2ccc(C(F)(F)F)cc2/C1=N/Nc1cccc(C(F)(F)F)c1 223747191 ZMIJWDLMQQAGPA-UHFFFAOYSA-N 373.256 4.493 30 40 FIEB COCCOc1ccc(C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 44027693 LRZYOOSASQDOBI-YCRREMRBSA-N 361.781 4.170 30 40 FIEB C=CCN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(F)c1 225110086 RRTPJXBUIZTWMK-UHFFFAOYSA-N 373.808 4.008 30 40 FIEB Cc1[nH]n(-c2nc3ccccc3s2)c(=O)c1/C=N\[C@@H](C)c1ccccc1 13600708 UGOPQUPOUZBZHH-KUARTLJMSA-N 362.458 4.264 30 40 FIEB COc1cc(/C=C/C(=O)OCc2cccc(Cl)c2)ccc1OCC#N 3282022 XMGWTHFLCVDTOK-SOFGYWHQSA-N 357.793 4.008 30 40 FIEB CCOC(=O)c1sc(NC(=O)c2ccc(C(C)C)cc2)c(C#N)c1C 1284170 JGGJQZODHQDUGX-UHFFFAOYSA-N 356.447 4.481 30 40 FIEB C=C(C)Cn1c(CCNC(=O)c2ccc(Cl)cc2)nc2ccccc21 2721468 WLGPYEIRAZHHLN-UHFFFAOYSA-N 353.853 4.238 30 40 FIEB COc1cc(/C=N/c2ccc(N(C)C)cc2)ccc1OC(=O)c1ccco1 3174228 MCMNFMVJJBNXGR-HYARGMPZSA-N 364.401 4.324 30 40 FIEB COc1cc2c(c(OC)c1)C(=O)O[C@@H](C)CCC/C(=N/O)CCCCC2 4026337 QMUJDFDWPWITAS-IKBYJFNHSA-N 363.454 4.366 30 40 FIEB biogenic C=CCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)CCCC 12391429 PJCWAEHUFVKNFA-UHFFFAOYSA-N 374.506 4.252 30 40 FIEB CCO/N=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O 17695938 IFFVOHYSTLTAFC-LPYMAVHISA-N 359.385 4.016 30 40 FIEB Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc(C#N)cc1F 21595598 DYYUPQANWIQNHZ-UHFFFAOYSA-N 363.348 4.103 30 40 FIEB N#Cc1c(NC(=O)CCN2CCCc3ccc(F)cc32)sc2c1CCC2 48253143 AMMDEOIXSBRPMN-UHFFFAOYSA-N 369.465 4.029 30 40 FIEB N#Cc1c(-c2ccc(F)cc2)cc(-c2ccc3c(c2)OCO3)c(C#N)c1N 55142520 BULPEWYHJVWKJT-UHFFFAOYSA-N 357.344 4.214 30 40 FIEB COc1ccccc1-c1nnc(SCc2cn3ccccc3c2C#N)o1 58366815 MQKXTNCDYHVGNZ-UHFFFAOYSA-N 362.414 4.162 30 40 FIEB O=C(Nc1nnc(C(F)(F)C(F)(F)C(F)(F)F)s1)c1ccccc1 59387008 FLHXCKOEBUUOEG-UHFFFAOYSA-N 373.253 4.080 30 40 FIEB N#C[C@H](NC(=O)CSCc1cccnc1)c1ccc(Cl)c(Cl)c1 68454188 HZUJDRMVIQLDBH-HNNXBMFYSA-N 366.273 4.003 30 40 FIEB C(=N/n1c(-c2ccco2)cs/c1=N/C1CCCCC1)\c1ccccn1 103458893 CYWSBERFUNYQQW-WVZQHPIYSA-N 352.463 4.320 30 40 FIEB C=CCc1cc(C(=O)NCCOc2ccccc2C(C)C)ccc1OC 223775413 JLMXNCTZVIQUHD-UHFFFAOYSA-N 353.462 4.356 30 40 FIEB CC/N=C1/S/C(=C/c2cc(Cl)c(OC)c(Cl)c2)C(=O)N1CC 408928480 BXSKSOVUKASCHK-NOMCZCQPSA-N 359.278 4.314 30 40 FIEB CC(=O)Nc1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 5164001 TULFMWSDZJJDGB-AWQFTUOYSA-N 366.299 4.018 30 40 FIEB CCSc1nc(Nc2cc(C(=O)OC)ccc2C)c(C#N)c(SC)n1 11614585 NAGVPBLYIYFIFA-UHFFFAOYSA-N 374.491 4.021 30 40 FIEB Cc1cc(C)cc(OCC/C(O)=N/S(=O)(=O)c2cccc(Cl)c2)c1 48495978 QHCBPDMLNILZQM-UHFFFAOYSA-N 367.854 4.071 30 40 FIEB CC(=O)Oc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc1 408767385 WLOMEDMQPLHPPJ-YBEGLDIGSA-N 372.833 4.157 30 40 FIEB CCN1C(=O)[C@H](Cc2ccc(F)cc2)S/C1=N/c1ccc(OC)cc1 409140565 JDMNXQIJKNDOJC-JLUOLNIDSA-N 358.438 4.028 30 40 FIEB CCOc1ccc(-n2c(C)cc(/C=C3\S/C(=N\C)N(C)C3=O)c2C)cc1 409186659 GDIDCYYAEJIMLG-RTPYTOBHSA-N 369.490 4.025 30 40 FIEB CC1(C)OB(c2cc(F)c(OCc3ccccc3)c(Cl)c2)OC1(C)C 642814733 UPKXDPZAIQGKNH-UHFFFAOYSA-N 362.637 4.357 30 40 FIEB C=CCOc1ccc(/C=C2\S/C(=N/c3cccc(C)c3)NC2=O)cc1 6924192 OBPNPZZERYSSSC-AQTBWJFISA-N 350.443 4.451 30 40 FIEB CCN(CC)[C@@H](CNc1oc(-c2cccnc2)nc1C#N)c1ccccc1 35672638 IXWGOIMGHVWVTR-IBGZPJMESA-N 361.449 4.103 30 40 FIEB Cc1sc(N/N=C/c2cc([N+](=O)[O-])ccc2O)nc1-c1ccccc1 35898255 RSWAAYGPQYNSHK-VCHYOVAHSA-N 354.391 4.178 30 40 FIEB CCCCOC(=O)c1ccc(/N=C/c2ccc(O[C@@H](C)C(=O)O)cc2)cc1 39557333 IFRDNVZVCRJSLU-WXUSHSQQSA-N 369.417 4.246 30 40 FIEB C=CC/N=c1/scc(-c2ccc(Cl)cc2)n1/N=C/c1cccnc1 103371498 MUECZRGFEHBRIX-WUHDDMPHSA-N 354.866 4.234 30 40 FIEB CCC(=O)O[C@H]1CC[C@H]2[C@@H]3C[C@@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]12C 118926621 ZDGBLAAWXWQTOP-ZQJQBLJKSA-N 370.489 4.041 30 40 FIEB Cc1[nH]c2c(C)cccc2c1/C=N\NC(F)(F)C(F)(F)C(F)(F)F 409037721 YPGJXNRIPVHSJQ-HCDFXORVSA-N 355.257 4.499 30 40 FIEB O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)CC/C1=C/c1ccc([N+](=O)[O-])cc1 1685490 WRYUFOKEOTWUFL-NFLUSIDLSA-N 350.330 4.333 30 40 FIEB Cc1nc2n(n1)[C@@H](c1ccccc1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 5347534 ORZJITOAMQSLNL-UTKZUKDTSA-N 356.429 4.002 30 40 FIEB CCOc1ccc(/C=C2\Oc3c(ccc(O)c3CN(CC)CC)C2=O)cc1 13653589 FNVWYYZXEGAYQK-MOSHPQCFSA-N 367.445 4.249 30 40 FIEB O=C(O)COc1ccc(/C=N/c2ccc(Br)cc2)cc1Cl 59679008 UWEARNWFMDBSIK-QGMBQPNBSA-N 368.614 4.317 30 40 FIEB N#Cc1c(N)nc(SCc2ccc(F)cc2)nc1Cc1ccc(F)cc1 223679400 AFRZAHMSXZHEIR-UHFFFAOYSA-N 368.412 4.092 30 40 FIEB CCN1C(=O)/C(=C\c2ccc(O)cc2O)S/C1=N\c1c(C)cccc1C 408910869 LXGDSICHINOWCZ-CZZIWQEQSA-N 368.458 4.339 30 40 FIEB C=CCc1cc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)cc(OC)c1OC 409018433 WUGQWPJKNVXPQB-PILJQMSFSA-N 361.463 4.267 30 40 FIEB O=C1C[C@@H](/C=C/c2ccccc2)CC2=C1[C@@H](c1ccccc1)n1ncnc1N2 9190051 UNLYGRGVEDSGDH-JZMFZHDMSA-N 368.440 4.240 30 40 FIEB CN1/C(=C\C(=O)COC(=O)c2c(F)cccc2F)C(C)(C)c2ccccc21 18118619 ZXMILPHPLOGUQF-WQRHYEAKSA-N 371.383 4.002 30 40 FIEB N#Cc1ccc(C(=O)Nc2nn(Cc3ccccc3Cl)cc2Cl)cc1 32609990 VZHRFKVPNAFLGW-UHFFFAOYSA-N 371.227 4.362 30 40 FIEB CC(=O)Nc1ccc(/C=C2/CC/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)cc1 96973204 WBOHCMCPGJUVSF-MJZABRMRSA-N 362.385 4.383 30 40 FIEB C=CCOc1ccc2c(c1)CC=C1[C@@H]2CC[C@@]2(C)C(=N\O)/C(=N/O)C[C@@H]12 104053061 LHJLDYOKYNLKHZ-BLOXPHRXSA-N 352.434 4.298 30 40 FIEB CCOCCN1C(=O)/C(=C/c2ccc(F)cc2)S/C1=N/c1ccccc1 101854336 UZKNCQFFMMMVLV-VWTGEQJNSA-N 370.449 4.466 30 40 FIEB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)C(=O)CCC#N 118933238 PURUBGVOEPFNQR-PZCAJWILSA-N 369.505 4.122 30 40 FIEB C=CCN1C(=O)c2ccccc2N[C@H]1c1cccc(OCc2ccccn2)c1 48367734 CLLNPXBDESQORH-JOCHJYFZSA-N 371.440 4.413 30 40 FIEB CCc1cccc(C)c1NC(=O)CSc1nc(C)c(C)c(C)c1C#N 5172429 YFEAGBVIHOGONB-UHFFFAOYSA-N 353.491 4.480 30 40 FIEB Cc1c(C(=O)O)ccc2c1N[C@@H](c1ccc(OCC#N)cc1)[C@H]1CC=C[C@H]21 4608562 NIVDEQFZMCZBLY-WFXMLNOXSA-N 360.413 4.422 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(C)cc2)C[C@H]1c1cccc(F)c1 4920017 TWYZRYFQAAGRHT-FPOVZHCZSA-N 352.405 4.453 30 40 FIEB CCn1c(C)cc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)c1C 408966842 QUHHOLGTDWVXQQ-GZTJUZNOSA-N 355.463 4.025 30 40 FIEB CN1CCc2nc(Cl)c(C#N)c(-c3ccccc3Br)c2C1 96511131 ZXEAEZHIDOYDDN-UHFFFAOYSA-N 362.658 4.024 30 40 FIEB COc1cc(/C=N/Nc2cc(C)c3cccc(C)c3n2)cc(OC)c1OC 5006917 UXQQQYUKQMLQBK-WSDLNYQXSA-N 365.433 4.323 30 40 FIEB CCCCCCCCCCNS(=O)(=O)c1cc(C(=O)O)ccc1C 226857621 BXQBYODWBKJLBF-UHFFFAOYSA-N 355.500 4.112 30 40 FIEB CCOC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O 8990803 KLRKLXWDHUOEJD-HIPMGEKLSA-N 372.804 4.287 30 40 FIEB Cc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCCCCC3)C2=O)o1 13540171 QEYQEQLAEQOQGC-UNOMPAQXSA-N 353.418 4.286 30 40 FIEB N#Cc1nc(/C=C/c2ccc(F)cc2)oc1NCc1ccc2c(c1)OCO2 20446679 VVSQOANVQIAZPW-XBXARRHUSA-N 363.348 4.197 30 40 FIEB N#Cc1cc2c(nc1SCC(=O)Nc1cccc(F)c1)CCCCCC2 663181 WXBZLYGITUOVBZ-UHFFFAOYSA-N 369.465 4.482 30 40 FIEB Cc1ccc(S(=O)(=O)O[C@@H]2CCCC[C@@H]2c2ccccc2N(C)C)cc1 1715754 VDTSLRSPNDHAKQ-TZIWHRDSSA-N 373.518 4.493 30 40 FIEB CCCC[C@H]1S/C(=N\N=C\c2ccco2)N(Cc2ccc(F)cc2)C1=O 2261093 IDNWSNCVPCUSGH-BGBIMMFTSA-N 373.453 4.443 30 40 FIEB S=c1[nH]nc(N/N=C/c2ccccc2OCc2ccccc2Cl)[nH]1 6336703 OVORHOAHSLROKJ-GIJQJNRQSA-N 359.842 4.146 30 40 FIEB N#Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)c3ccncc23)cc1 12608779 AVRYRJBWQBUERL-UHFFFAOYSA-N 356.429 4.349 30 40 FIEB COc1ccc(F)cc1CO/N=C/c1cc(Cl)c(OC)c(OC)c1 14340908 GYHDMELJGSPYTD-AWQFTUOYSA-N 353.777 4.056 30 40 FIEB CC/C(=N\NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 17073740 SHNVAZCHEZCIOL-OBGWFSINSA-N 357.262 4.086 30 40 FIEB O=[N+]([O-])c1ccc(/N=C/c2ccc(Br)c([N+](=O)[O-])c2)cc1 18187971 SHBXTHNGXLEYDO-OVCLIPMQSA-N 350.128 4.016 30 40 FIEB C=CCSc1ccccc1NC(=O)c1nc(C)n(-c2ccc(F)cc2)n1 32808786 WNHWDJNCMAENRH-UHFFFAOYSA-N 368.437 4.245 30 40 FIEB Cc1cc(C)n(-c2nc(Nc3ccccc3)c(C#N)c3c2COC(C)(C)C3)n1 95473230 XXSBYCXNMGFEHY-UHFFFAOYSA-N 373.460 4.351 30 40 FIEB C=CC[C@](O)(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F 100048600 SZUVYWQIDARZII-SCSAIBSYSA-N 358.122 4.324 30 40 FIEB Cc1nn(C)c2ncc(/C(O)=N/[C@H]3CCCc4sc(Cl)cc43)cc12 329305668 XQKYXRLKGOVJQP-ZDUSSCGKSA-N 360.870 4.374 30 40 FIEB C#CC[C@@H](CC(F)(F)F)NC(=O)c1cccc(SC(F)(F)F)c1 583650957 CDRRDSZYAIRDTB-JTQLQIEISA-N 355.303 4.373 30 40 FIEB CC1(C)OC(=CC=Nc2ccc(I)cc2)OC1(C)C 1504812991 HRXUYSOCXVKJOI-UHFFFAOYSA-N 371.218 4.439 30 40 FIEB COc1ccc(NC(=O)CCC2=CC(=O)C[C@H](c3ccccc3)O2)cc1 644792 NMUIFOZCWXEZME-HXUWFJFHSA-N 351.402 4.029 30 40 FIEB COc1ccc(-c2nc(SCCc3ccccc3)nc(O)c2C#N)cc1 2751032 WNRAZCMIADPNKU-UHFFFAOYSA-N 363.442 4.064 30 40 FIEB Cc1ccc(S(=O)(=O)/N=C/C=C2/N(C)c3ccccc3C2(C)C)cc1 3186489 UFOHYYFCPGDQOJ-DWUZODITSA-N 354.475 4.066 30 40 FIEB COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1/C=C/c1ccccc1 96305899 WKIANXBSGHEOBI-SIFUEBAJSA-N 351.446 4.009 30 40 FIEB N#Cc1c(Cc2ccc(F)cc2)nn(Cc2cccc3ccccc23)c1N 225848813 RSCYNIIPSJWLDA-UHFFFAOYSA-N 356.404 4.268 30 40 FIEB C#CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)C1=O 408917375 SFPUJHNSEVOWEH-XDHOZWIPSA-N 364.470 4.380 30 40 FIEB N#CCSc1nc2ccc(Br)cc2c2nc3ccccc3n12 2973948 IFCSNPVWGXOQMX-UHFFFAOYSA-N 369.247 4.414 30 40 FIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCc4ccc(OC)cc4)[C@H]3C[C@@H]12 4041531 ITHDPGAXOGNXMB-ZFVIQDPVSA-N 369.505 4.099 30 40 FIEB biogenic Cc1ccccc1[C@H]1C2=C(C[C@H](c3ccc(F)cc3)CC2=O)Nc2ncnn21 4782821 OYYMJMKWGYHMLF-BTYIYWSLSA-N 374.419 4.141 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccs2)C[C@H]1c1ccccc1OC 4918747 JRIWEFZFRLJMDT-KXBFYZLASA-N 356.443 4.076 30 40 FIEB CCSc1nc2n(n1)[C@H](c1ccccc1C)C1=C(CC(C)(C)CC1=O)N2 6677843 RGKPTRBVPGQYLS-QGZVFWFLSA-N 368.506 4.357 30 40 FIEB N#Cc1ccc(OCC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)cc1 8115235 SRKZSIHJGAWOGT-QFIPXVFZSA-N 374.465 4.173 30 40 FIEB COc1ccc(CCC(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1 12784881 UDBIKAQPVKMJEX-UHFFFAOYSA-N 363.442 4.262 30 40 FIEB C=CCN1C(=O)/C(=C\c2ccc(-c3ccccc3C#N)o2)SC1=S 15011952 UTMLAHSPTFXGHJ-MHWRWJLKSA-N 352.440 4.205 30 40 FIEB CC(=O)[C@@H]1[C@@H](c2cccc(Cl)c2)C(C#N)(C#N)[C@@H]2C=Cc3ccccc3N12 16037960 QEPNCFQURFZJLJ-PWRODBHTSA-N 373.843 4.330 30 40 FIEB CCN(CC)c1ccc(/N=C2/C(C)=Nn3c2nnc3-c2ccccc2)cc1 16678495 ZTSSRCDYAQNCLO-QOCHGBHMSA-N 358.449 4.150 30 40 FIEB CCc1ccc(C(=O)NCCNc2nc3cc(C)cc(C)c3cc2C#N)cc1 19522868 MJNSBGHPUPDYIB-UHFFFAOYSA-N 372.472 4.128 30 40 FIEB Cc1nc(COc2cccc(C(=O)OCc3cccc(C#N)c3)c2)cs1 24360275 CKPTXTYBQYWAJM-UHFFFAOYSA-N 364.426 4.259 30 40 FIEB CCOC(=O)c1c(/N=C/c2cc([N+](=O)[O-])cc(C)c2O)sc(C)c1C 35396485 JYBVFEHRBUFCDY-QGMBQPNBSA-N 362.407 4.214 30 40 FIEB CCN(C[C@@H](C)C#N)C(=O)c1sc2nc(-c3ccco3)nc(C)c2c1C 47534055 NBEUDEBQDCMBKE-NSHDSACASA-N 368.462 4.190 30 40 FIEB CC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@H](O)C[C@@]21C 118926095 FCBHFLRFWJSOTB-GOKACCBZSA-N 362.485 4.032 30 40 FIEB Oc1nc(N/N=C/c2ccc(OCc3ccccc3)cc2)nc2ccccc12 408731308 JPGPONGKSSGIFO-OEAKJJBVSA-N 370.412 4.360 30 40 FIEB Cc1cccc([C@H]2CC(=O)N(N(C)C)C3=C2C(=O)C[C@H](c2ccccc2)C3)c1 1430118 HZHVIKCXPYCTJH-WOJBJXKFSA-N 374.484 4.188 30 40 FIEB C[C@@H]1CCC[C@@H](C)N1C[C@H](O)CON=C1c2ccccc2-c2ccccc21 5554318 IGMGKOIULCISEA-KURKYZTESA-N 364.489 4.060 30 40 FIEB O=C(/C=C/c1cccc(Br)c1)c1cccc(N2CCCC2=O)c1 7350101 RVPHAEVPOLXXFJ-MDZDMXLPSA-N 370.246 4.472 30 40 FIEB N#Cc1ccc(COC(=O)c2ccccc2SC[C@@H]2CCCO2)cc1 7627060 RUYLMEVSENURFQ-KRWDZBQOSA-N 353.443 4.186 30 40 FIEB C=CCOc1ccc2c(c1)CC=C1[C@@H]2CC[C@@]2(C)C(=N/O)/C(=N/O)C[C@@H]12 8617590 LHJLDYOKYNLKHZ-QRBGTRBWSA-N 352.434 4.298 30 40 FIEB N#Cc1ccccc1CSCCNC(=O)/C=C/c1cccc2cccnc12 13002801 PDVHRWLBJQOTGQ-ZHACJKMWSA-N 373.481 4.169 30 40 FIEB C/C(C(=O)c1ccc(C)cc1)=[N+](/[O-])[C@H](/C(=N/O)c1ccccc1)C(C)C 13098331 CEKVOXZARPUXSF-OPPLLWFASA-N 352.434 4.052 30 40 FIEB C=CCOc1ccc(C(=O)N2CCn3c(C)ccc3[C@H]2C(C)C)cc1OC 13996309 GWTOFLONRSTXNE-OAQYLSRUSA-N 368.477 4.223 30 40 FIEB C=CCC1=C[C@](OC)(/C(C)=C/c2ccc(OC)c(OC)c2)C(OC)=CC1=O 14658203 VKYZYTYFGUQBLS-QMUTUGEISA-N 370.445 4.108 30 40 FIEB biogenic N#Cc1ccc(OCCn2cnc3scc(-c4ccccc4)c3c2=O)cc1 17478433 YYVMNUNCLLJBAO-UHFFFAOYSA-N 373.437 4.076 30 40 FIEB N#Cc1cc(NC(=O)c2cc(F)ccc2F)ccc1OCC(F)(F)F 36398322 AFEMSCPEWIIKET-UHFFFAOYSA-N 356.250 4.030 30 40 FIEB CC1(C)[C@@H]2CC[C@]1(C)C(=O)/C2=C/N(O)/C=C1\C(=O)[C@]2(C)CC[C@@H]1C2(C)C 104122125 BLACPVKXBSSOTA-OURAMRGFSA-N 357.494 4.496 30 40 FIEB CCN(CC)c1ccc(/N=C/c2cccc(OC)c2O[C@@H](C)C(=O)O)cc1 409232532 QRSMQGIWBCDWBP-WXUSHSQQSA-N 370.449 4.144 30 40 FIEB C=CCO[C@H]1CC2(CCN(C(=O)C3(F)CCC3)CC2)c2cc(C)ccc21 585105636 MNVSILLZESGOLK-IBGZPJMESA-N 357.469 4.395 30 40 FIEB O=C1CCCC2=C1C(c1ccc(N3CCCC3)cc1)C1=C(CCCC1=O)O2 807371 CAJGBAMOEMPCPL-UHFFFAOYSA-N 363.457 4.415 30 40 FIEB C=CCn1c(SCCOc2ccccc2F)nnc1-c1ccccc1 7787346 BJLKGHKPOJLFNU-UHFFFAOYSA-N 355.438 4.441 30 40 FIEB COc1ccc2c(c1)Cc1sc(/N=C\c3ccc(OC)cc3OC)nc1-2 409044838 DQIKSELCYWFGHI-NHDPSOOVSA-N 366.442 4.491 30 40 FIEB C=CCc1cc(/C=N\c2cccc(C(=O)OCC)c2)cc(OCC)c1O 408849630 XVXTWVONEBLGDK-HMAPJEAMSA-N 353.418 4.447 30 40 FIEB C/C(=N\OCC(=O)N[C@@H](C)CCc1ccccc1)c1cc2ccccc2o1 14351627 HQMMXNDREVJZSC-FWGBXFHKSA-N 364.445 4.311 30 40 FIEB CCCN1C(=O)/C(=C\c2ccc(O)c(OC)c2)S/C1=N\c1ccccc1 408906350 INNUYSVXKVDAFB-BIXZQSIESA-N 368.458 4.415 30 40 FIEB [O-]/[N+](=C/c1ccc(O)cc1)c1ccc(-c2nc(-c3ccccc3)no2)cc1 80343879 PZVKZRDZCIDJDM-ZVHZXABRSA-N 357.369 4.370 30 40 FIEB C=CCOc1c(Cl)cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc1Cl 408749391 GNFDIKAGVHVQGV-UWVJOHFNSA-N 367.192 4.307 30 40 FIEB O=[N+]([O-])c1cccc(/N=C\c2cc(Br)c(N3CCCC3)o2)c1 408858940 USRGZGUJLGSBQC-YVLHZVERSA-N 364.199 4.301 30 40 FIEB COc1cccc(/C=C2/S/C(=N\c3cc(C)ccc3C)N(C)C2=O)c1O 75279916 ZZTUVJGLSSRGDL-OUYOUGTCSA-N 368.458 4.251 30 40 FIEB OC(=Nc1ncc(C2CCCCC2)s1)N1CCC(c2cc[nH]n2)CC1 329472394 SFQUIDHAIBDXKR-UHFFFAOYSA-N 359.499 4.339 30 40 FIEB Cc1ccc(N/C(O)=N/[C@@H](c2nc(C(C)C)no2)C2CCOCC2)s1 330057162 XABKRDWNDIPVLH-CQSZACIVSA-N 364.471 4.057 30 40 FIEB CN(C)c1ccc(/C=C/C(=O)c2cc3cc(Cl)ccc3oc2=O)cc1 3911107 PPBVYUFMGBSBKO-WEVVVXLNSA-N 353.805 4.409 30 40 FIEB N#CCCSc1ccccc1NC(=O)/C=C/c1ccc([N+](=O)[O-])s1 4176945 WQNVTBKBSGCZFD-SOFGYWHQSA-N 359.432 4.314 30 40 FIEB COc1ccc(-c2nnc(S)n2/N=C\c2cccc3ccccc23)cc1 4459009 YPVOADOMHXQGSW-BKUYFWCQSA-N 360.442 4.278 30 40 FIEB CC1=C[C@H](C)[C@H](/C=N/n2cnc3c([nH]c4ccc(F)cc43)c2=O)[C@@H](C)C1 5277614 PNOVVDRHHMKFHS-NOIPQELBSA-N 352.413 4.089 30 40 FIEB CC(C)[C@H]1Cc2c(C#N)c(N)n(-c3ccc(Cl)cc3)c(=S)c2CO1 6719017 WGALDBVVMRQBFV-MRXNPFEDSA-N 359.882 4.411 30 40 FIEB Cc1cc(Cl)c(C)c(S(=O)(=O)Nc2cccc(C#N)c2)c1Cl 7057256 JXSAGUIUXOEZBP-UHFFFAOYSA-N 355.246 4.283 30 40 FIEB N#Cc1cccc(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)c1 7947594 OPAHUBTUGBLMFP-GOSISDBHSA-N 350.468 4.469 30 40 FIEB COc1ccc(Br)c2c1/C(=N/OC(=O)c1ccccc1C)CC2 8571000 HSBNROMFPARWQD-HMMYKYKNSA-N 374.234 4.273 30 40 FIEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C)cc1 17837411 TZXVGGOTQCOXOC-LJQANCHMSA-N 353.462 4.162 30 40 FIEB N#C[C@H](C(=O)CSc1nccs1)c1nc(-c2ccccc2)cs1 51534224 LGZIGNFSGPONFX-GFCCVEGCSA-N 357.485 4.235 30 40 FIEB N#Cc1c(F)cccc1Sc1nnc(Cc2cccs2)n1C1CC1 95469821 XUJJJLXQPLZUDZ-UHFFFAOYSA-N 356.451 4.427 30 40 FIEB COc1ccccc1/N=C/c1c(C)c(C#N)c2nc3ccccc3n2c1O 100633950 JMZBDXCPYBTTHJ-FSJBWODESA-N 356.385 4.132 30 40 FIEB C(=N/c1ccc(N2CCOCC2)cc1)\c1ccc(N2CCCCCC2)o1 408931167 HYEWLRGREQTFEN-OQKWZONESA-N 353.466 4.247 30 40 FIEB Cc1ccc2cc(C#N)c(SCC(=O)N[C@H]3CCCC[C@H]3C)nc2c1 906822 JGZDDSGTUCZYHA-PBHICJAKSA-N 353.491 4.202 30 40 FIEB COc1ccc(OCCCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 1778269 PVWUPOXJGSFZQV-UHFFFAOYSA-N 370.474 4.305 30 40 FIEB C[C@@H](Sc1ncc(-c2ccc(F)cc2)[nH]1)C(=O)Nc1cccc(C#N)c1 17749824 KXDPQLAUQUNGIF-GFCCVEGCSA-N 366.421 4.207 30 40 FIEB COc1ccc(N/N=C(/C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1 5023364 YDNJYYRXIHTVNN-QJOMJCCJSA-N 364.430 4.167 30 40 FIEB CN1CCc2ccc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)cc21 97117154 SCQMRWMRKMYEEN-AWEZNQCLSA-N 367.861 4.432 30 40 FIEB N#CCCn1cc(CNC[C@@H](c2ccco2)N2CCCC2)c2ccccc21 22926524 JHTFFGWQPYNBNE-NRFANRHFSA-N 362.477 4.075 30 40 FIEB C=CCOc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(C)C3=O)c2C)cc1 408816011 IMXLOVMHHRTNFL-PDGQHHTCSA-N 368.458 4.325 30 40 FIEB C=CCn1c(SCc2ccccc2C#N)nnc1-c1ccccc1OC 5230799 OHXHWRCNABKMAZ-UHFFFAOYSA-N 362.458 4.304 30 40 FIEB Cc1noc2c1[C@@H](c1cccnc1)C1=C(C[C@H](c3ccc(O)cc3)CC1=O)N2 13550805 XFEOBHIYWPQNBN-MGPUTAFESA-N 373.412 4.042 30 40 FIEB Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NS(C)(=O)=O 1442688 INLGRHHWGYWXGT-CQSZACIVSA-N 369.273 4.329 30 40 FIEB C=CCN/C(S)=N/N=C/c1cccc(OCc2cccc(Cl)c2)c1 1969279 UAKDADOCIMPWHY-CIAFOILYSA-N 359.882 4.314 30 40 FIEB N#Cc1cc([N+](=O)[O-])ccc1NCc1ccc(OCC(F)(F)F)cc1 25152099 NEHLFXLABLVVMW-UHFFFAOYSA-N 351.284 4.020 30 40 FIEB CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 30691600 VUHJZBBCZGVNDZ-TTYLFXKOSA-N 362.897 4.181 30 40 FIEB in-man C=CCc1cc(/C=N/c2ccccc2SC)cc(OC)c1OCC(=O)O 59302536 SCCJUNAKZRYKDA-CIAFOILYSA-N 371.458 4.360 30 40 FIEB C=CCN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(OC)cc1 224859391 PYELMTBMJVTPST-UHFFFAOYSA-N 351.855 4.038 30 40 FIEB Cc1ccc(NC(=O)COc2c(Cl)cc(/C=N\O)cc2Cl)cc1C 409265940 WZUOAYFJYVZDNH-ZBKNUEDVSA-N 367.232 4.436 30 40 FIEB CC(C)(C)OC(=O)N1CCC2(CC=C(B3OC(C)(C)C(C)(C)O3)C2)CC1 953091098 AKCOGLHBELLJME-UHFFFAOYSA-N 363.307 4.355 30 40 FIEB C[C@H](C#N)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1083811066 RZTDDOKNKCISAH-SCSAIBSYSA-N 353.131 4.019 30 40 FIEB COc1ccc(/C=N/c2c(C#N)c(C#N)c(-c3ccc(OC)cc3)n2C)cc1 1441925 ATOBBPMDGLOMSY-AFUMVMLFSA-N 370.412 4.203 30 40 FIEB N#Cc1ccccc1COc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1 4180234 LLCUALISHCWZKL-OEAKJJBVSA-N 372.384 4.491 30 40 FIEB N#CCCCSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1 4269148 QNSPFANYURIMIV-UHFFFAOYSA-N 364.430 4.059 30 40 FIEB N#CCCCSc1nc2ccccc2c(=O)n1Cc1ccc(Cl)cc1 4412278 CLWFMBNPPCOGPN-UHFFFAOYSA-N 369.877 4.494 30 40 FIEB Cc1cc(/N=C/c2ccc(N3CCOCC3)cc2)ccc1Br 4869199 OYUQVUDCJRGUOR-DEDYPNTBSA-N 359.267 4.345 30 40 FIEB CCOC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O 5967412 QZXHDOCSDPLDLA-HIPMGEKLSA-N 372.804 4.287 30 40 FIEB COc1cc(/C=C2/CCc3ccccc3C2=O)cc(Br)c1O 33377933 ZNUXMBNCTGPPFC-JYRVWZFOSA-N 359.219 4.376 30 40 FIEB C=CCN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1ccccc1 224681165 KTMMDZPJLGQHAF-UHFFFAOYSA-N 357.475 4.389 30 40 FIEB Cc1nc2ccccc2c(=O)n1/N=C\c1ccc(-c2ccc(F)cc2F)o1 408600339 BOUHRLNSUFHZEW-KSEXSDGBSA-N 365.339 4.125 30 40 FIEB CC[C@@H](C)n1c(C)c(C=Nn2c(O)nc3ccccc3c2=O)c2ccccc21 409344855 HQDICBGGXXGXEV-CQSZACIVSA-N 374.444 4.218 30 40 FIEB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OCC[N+](C)(C)CC(=O)OCc1ccccc1)C2 2280183 WWSFBZLUMRJQDA-VIZSFHNOSA-N 374.545 4.038 30 40 FIEB COc1ccc(OC)c(/C(C)=N/NC(=S)Nc2ccc(C)cc2C)c1 4878349 KUIINAFTQVTGRC-KGENOOAVSA-N 357.479 4.031 30 40 FIEB C=CCN1C(=O)/C(=C/c2ccccc2)S/C1=N/c1ccc(C(=O)O)cc1 100872293 APQMEMOEHKHWHO-VYHRCCAKSA-N 364.426 4.175 30 40 FIEB CCc1ccc2c(c1)/C(=N/Nc1nc(-c3ccc(F)cc3)cs1)C(=O)N2 13857161 NKMQACUHYYVMJB-UHFFFAOYSA-N 366.421 4.280 30 40 FIEB COc1cc(C(=O)/C=C/c2ccc(Br)cc2F)ccc1O 8322768 GUJUXNOHUNLHHL-ZZXKWVIFSA-N 351.171 4.199 30 40 FIEB COc1cc(N2CCCCC2)ccc1/C=N\c1cc(C(=O)O)ccc1C 409234250 JOTOVTHSJNWLLQ-HMAPJEAMSA-N 352.434 4.443 30 40 FIEB C=CCN1C(=O)c2ccccc2NC12CCC(C#N)(c1ccccc1)CC2 9607918 DQMXTOZSAIZRKQ-UHFFFAOYSA-N 357.457 4.472 30 40 FIEB C#CCOC(=O)c1ccc(OCc2ccccc2C)c(Br)c1 216817565 ZLKURYZPCVDERV-UHFFFAOYSA-N 359.219 4.127 30 40 FIEB N#CCCN(C(=O)CSc1nc2ccccc2s1)c1ccc(F)cc1 2623739 ZMUOECJWDSSFND-UHFFFAOYSA-N 371.462 4.474 30 40 FIEB CCCCCCCCCCCCCC[n+]1cccc(S(N)(=O)=O)c1 104177685 ASMMOPYQMNQYOA-UHFFFAOYSA-N 355.568 4.323 30 40 FIEB COc1cccc(/C=C2/S/C(=N/c3ccc(C)cc3)N(C)C2=O)c1OC 12467451 LQWIZDSFOOOBSE-UCEMORSKSA-N 368.458 4.246 30 40 FIEB C[C@H]1C=CC[C@@H]2C(=O)N(c3ccc(Oc4ccc(C#N)cc4)cc3)C(=O)[C@H]12 100340272 OYAYDMDBQZWWHI-PNHOKKKMSA-N 358.397 4.052 30 40 FIEB C/N=C(\S)N/N=C/c1cn(Cc2c(F)cccc2Cl)c2ccccc12 8685053 REYUXAOUEHKDBX-LSFURLLWSA-N 374.872 4.321 30 40 FIEB C=CCNC(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 6022246 WZXCVPGYRMWVAQ-UHFFFAOYSA-N 360.373 4.457 30 40 FIEB COc1ccc(C(=O)OCC#CCSc2nc3ccccc3s2)cc1 7067674 MFGJAUXHJMJWCV-UHFFFAOYSA-N 369.467 4.257 30 40 FIEB C=CCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224767219 PAZIOPPMUXECDL-UHFFFAOYSA-N 374.462 4.408 30 40 FIEB COc1ccc(/N=C/c2ccccc2OS(=O)(=O)c2ccccc2)cc1 8116682 KMNQXCPAJXFGGX-RCCKNPSSSA-N 367.426 4.214 30 40 FIEB N#Cc1nc(N2CCCCC2)nc(N(c2ccccc2)c2ccccc2)n1 1072408 NHWVDBLMDFMMTN-UHFFFAOYSA-N 356.433 4.203 30 40 FIEB CCOC(=O)c1ccc(/N=C2\NC(C)(C)Cc3cc(C)c(C)cc32)cc1 824820 XXNOPTKZRRZUKY-UHFFFAOYSA-N 350.462 4.483 30 40 FIEB Cc1cc(C)c2nc(SCC(=O)NCc3ccccc3)c(C#N)cc2c1 4849144 XMJXBUIFZBAXGH-UHFFFAOYSA-N 361.470 4.132 30 40 FIEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CCCC(=O)O)c2C#N)C1 5950855 MFEDSQMALVBNER-GFCCVEGCSA-N 362.495 4.354 30 40 FIEB COc1cc(OC)c(OC)cc1/C=C/C(=O)c1nc2ccccc2s1 7335881 WJNNSDYGODQQMR-CMDGGOBGSA-N 355.415 4.218 30 40 FIEB C=CCn1c(=S)[nH]c2cc(C(=O)Nc3cccc(CC)c3)ccc2c1=O 16640073 DWVYLWRMUFZSCH-UHFFFAOYSA-N 365.458 4.060 30 40 FIEB Cc1cc(C(=O)Nc2ccccc2C#N)c2c(C)nn(-c3ccccc3)c2n1 36616491 YESALABFGPLQLZ-UHFFFAOYSA-N 367.412 4.161 30 40 FIEB CC(C)CCOc1ccc(CN2C(=O)/C(=N\O)c3cc(Cl)ccc32)cc1 101101981 CDAVIJIHHGYESD-QOCHGBHMSA-N 372.852 4.490 30 40 FIEB CCOC(=O)c1cccc(-c2ccc(/C=N/Nc3nc4ccccc4[nH]3)o2)c1 408723198 PFTXGQQKLIPPHQ-LPYMAVHISA-N 374.400 4.446 30 40 FIEB O=C(/C=C/Nc1ccc(C(=O)O)c(O)c1)c1ccc(Cl)c(Cl)c1 409182047 ICCLMPBEZHMCLG-AATRIKPKSA-N 352.173 4.206 30 40 FIEB C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cccc(F)c3)ccc21 8958751 XRJUPMZMLCWUFN-UHFFFAOYSA-N 368.408 4.016 30 40 FIEB NS(=O)(=O)c1ccc(/N=C/c2c3ccccc3cc3ccccc23)cc1 672263 OIGDGIVYDGDGPI-OEAKJJBVSA-N 360.438 4.391 30 40 FIEB F[C@@H](C(F)(F)F)C(F)(F)OCC(F)(F)C(F)(F)C(F)(F)F 103538244 ITRARIZTIUSJFX-REOHCLBHSA-N 350.074 4.329 30 40 FIEB in-vitro O=S(=O)(Nc1cccnc1)c1ccc(/N=C/c2cccc(Cl)c2)cc1 100403298 YUJKMSRVXFZRCD-CIAFOILYSA-N 371.849 4.286 30 40 FIEB N#Cc1cccc(S(=O)(=O)N(Cc2ccc(F)cc2)C2CCCCC2)c1 8394751 PGPOECRHZUHMIJ-UHFFFAOYSA-N 372.465 4.221 30 40 FIEB COC(C)(C)CCC[C@](C)(O)C#C[C@@H](C)N1CCCC[C@@H]1c1cccnc1 55142316 RBNPONNUFQLAEM-LSWJPFSZSA-N 372.553 4.347 30 40 FIEB biogenic,in-vitro C[C@@H](C(=O)Nc1ccccc1C#N)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 574928892 FYEBMNIWSGCLNV-DVWBAYGPSA-N 359.473 4.296 30 40 FIEB Cc1cccc2cc(C#N)c(SCC(=O)Nc3ccc(F)cc3)nc12 1223898 CEJQJFFKLKWTLR-UHFFFAOYSA-N 351.406 4.285 30 40 FIEB C=CCSc1nnc(NC(=O)Cc2ccc(Cl)c(Cl)c2)s1 2628016 GBUSISYQWYNIOW-UHFFFAOYSA-N 360.291 4.304 30 40 FIEB N#C/C(=N\Nc1ccccc1F)c1nc(-c2ccc3c(c2)OCO3)cs1 4175407 RTSFVXBOQNIQKH-OEAKJJBVSA-N 366.377 4.018 30 40 FIEB Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@H]2c2cccs2)c1 15301438 WKBKNNMTUBIVEO-IBGZPJMESA-N 367.518 4.449 30 40 FIEB COc1ccc(OC)c(C(=O)Nc2cccc(C#Cc3cccs3)c2)c1 32905247 VILAFVWDMFCBBM-UHFFFAOYSA-N 363.438 4.417 30 40 FIEB Cc1ccccc1-n1cnc(Cl)c1/C=N/Nc1nc2ccccc2[nH]1 72238881 AUGZCRDTMIBMEF-UFFVCSGVSA-N 350.813 4.156 30 40 FIEB COc1ccc(/C=C2/CC/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)cc1OC 96973190 SBWHVKZFKUEDPO-VUTUTYQISA-N 365.385 4.442 30 40 FIEB CC1=C[C@@H](C)[C@@H](/C=N/n2cnc3c([nH]c4ccc(F)cc43)c2=O)[C@H](C)C1 105337805 PNOVVDRHHMKFHS-ZCMPVTMFSA-N 352.413 4.089 30 40 FIEB Cc1ccc2c(c1)/C(=N/Nc1ccc(Cl)cc1C)C(=O)N2C1CSC1 223721243 NPXOPKSXIMNBEG-PYCFMQQDSA-N 371.893 4.235 30 40 FIEB C=CCOc1cccc(NC(=S)NCCCc2ccccc2OC)c1 225551410 BFSZHNWSPRGQPA-UHFFFAOYSA-N 356.491 4.179 30 40 FIEB C=CCOc1ccc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc1OC 408567065 GGFJYXVHIILQGA-KRWDZBQOSA-N 352.390 4.150 30 40 FIEB CN(C)c1ccc(-n2cccc2/C=N/OCc2cccc([N+](=O)[O-])c2)cc1 408593698 QYPLHWYKFUCIRC-KGENOOAVSA-N 364.405 4.002 30 40 FIEB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1c2ccccc2cc2ccccc12 408720184 YWUWYHYMICSPIA-LEWISRFLSA-N 366.420 4.134 30 40 FIEB COCCCN1C(=O)/C(=C/c2cccc(F)c2)S/C1=N\c1ccccc1 408932777 DXVXSKLEIJYPHR-JHRGVAJVSA-N 370.449 4.466 30 40 FIEB COc1ccccc1/C=C/C=C1\Oc2cc(OC(=O)C3CC3)ccc2C1=O 2422566 NUKVOOSSYBSPPX-AGASNCOBSA-N 362.381 4.183 30 40 FIEB CCOc1ccccc1/N=C1\SC[C@@H](C)N1C(=O)COc1ccccc1 3538540 FFLBANKRMSSSMQ-MSVBSMQLSA-N 370.474 4.116 30 40 FIEB C=CCN1C(=O)/C(=C\c2ccc(OCC(C)C)c(OC)c2)SC1=S 6327166 KPSHIPNYLTUWMD-MHWRWJLKSA-N 363.504 4.117 30 40 FIEB O=C(/N=C1\c2ccccc2CN1c1ccccc1)c1cccc([N+](=O)[O-])c1 12512519 SWWFKHJWEWJOIK-LSDHQDQOSA-N 357.369 4.202 30 40 FIEB N#CCc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1 38849848 YSNRGBIMYKMKRI-GOSISDBHSA-N 367.880 4.257 30 40 FIEB CC[C@@H]1S/C(=N\N=C\c2cccs2)N(Cc2ccc(OC)cc2)C1=O 51366873 QUHWNMZSBVUDQI-HSWSJEDYSA-N 373.503 4.001 30 40 FIEB COc1cccc(/C=N/c2ccco2)c1OCc1ccc(C(=O)O)cc1 409187723 UEPORMJZOYCYAS-CIAFOILYSA-N 351.358 4.316 30 40 FIEB Cc1ccc(-n2c(C)cc(/C=N/Nc3ccc([N+](=O)[O-])cn3)c2C)cc1C 4047983 PRISIUSMVAFJNT-SSDVNMTOSA-N 363.421 4.460 30 40 FIEB C=CCN(Cc1cc(OC)ccc1OC)C(=O)c1cc2cc(F)ccc2[nH]1 5347819 DJVRLJTVRVXMNN-UHFFFAOYSA-N 368.408 4.153 30 40 FIEB Cc1c(-c2ccccc2)ccnc1/C=N\NC(=S)NCCc1ccccc1 5439016 YXPKIKCQZXSHSK-XYGWBWBKSA-N 374.513 4.098 30 40 FIEB CC[C@H]1S/C(=N/N=C/c2c(-c3ccccc3)[nH]c3ccccc23)NC1=O 8480646 QXDDVHRCTYAVPE-KKJJZKEWSA-N 362.458 4.166 30 40 FIEB CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2)C2=C(CCCC2=O)N1 19818208 VMGJMLNYXKVLHT-QFIPXVFZSA-N 373.452 4.398 30 40 FIEB N#Cc1ccc(C(=O)Nc2ncc(Cc3ccc(F)c(F)c3F)s2)cc1 40110698 NUHVFYSGUUSYHH-UHFFFAOYSA-N 373.359 4.275 30 40 FIEB O=C1/C(=N\O)c2ccc(Cl)cc2N1CCOc1cccc2ccccc12 46084687 OQWUEUZQGVSQHI-QOCHGBHMSA-N 366.804 4.097 30 40 FIEB N#Cc1c(COC(=O)c2cc3ccccc3c(Cl)n2)cn2ccccc12 58750559 TVJFWSPIKYTBRN-UHFFFAOYSA-N 361.788 4.370 30 40 FIEB Cc1cccc(-c2nsc(Nc3cnn(Cc4ccc(C#N)cc4)c3)n2)c1 1163968824 VIDSRSGYPKYJQE-UHFFFAOYSA-N 372.457 4.374 30 40 FIEB COc1ccc(-c2nnc(S)n2/N=C\C(C)=C\c2ccccc2)cc1 4680172 KIHBGSRERCPUDK-YFWPCBFPSA-N 350.447 4.180 30 40 FIEB Cc1ccc(C)c(/N=C2/NC(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)S2)c1 8410929 COOBMCIRGNPDEN-YBEGLDIGSA-N 353.403 4.103 30 40 FIEB C/C(C(=O)c1ccc(Cl)cc1)=[N+](/[O-])[C@H](/C(=N/O)c1ccccc1)C(C)C 13098332 SEHSBGHLWFGTRX-PQQOVNPBSA-N 372.852 4.397 30 40 FIEB C=CCOc1ccc(CN2CCC[C@@H](n3nccc3C(F)(F)F)C2)cc1 95995878 SNLPNNDFVCVBLH-MRXNPFEDSA-N 365.399 4.304 30 40 FIEB C[C@H]1CC[C@H]2C(=O)N(c3ccc(Oc4ccc(C#N)cc4)cc3)C(=O)[C@@H]2C1 101028113 KJWSKORJFCFRHG-VHKYSDTDSA-N 360.413 4.276 30 40 FIEB C=C(C)COc1cccc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)c1 219784223 BNUKOHZLJBZUOR-UHFFFAOYSA-N 366.461 4.422 30 40 FIEB Cc1cccc(CSc2nc(N)c(C#N)c(COc3ccccc3)n2)c1 223681501 FWESJEVSMMMJQR-UHFFFAOYSA-N 362.458 4.110 30 40 FIEB COc1c(C)cnc(CN(C)/C(O)=N/[C@H]2CCCc3ccc(F)cc32)c1C 330025551 KSAVTEMBFLWCHW-SFHVURJKSA-N 371.456 4.270 30 40 FIEB CCCCCCCc1nnc(SCC(=O)N2CCc3ccccc32)n1C 408560862 PUROODZISPTQCC-UHFFFAOYSA-N 372.538 4.009 30 40 FIEB O=C(O)c1ccc(-n2cccc2/C=N\Nc2ccc(C(F)(F)F)cn2)cc1 408931746 PSBBRPLROSJUFB-KSEXSDGBSA-N 374.322 4.035 30 40 FIEB CCCOc1ccc(C(=O)/C=C/c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 7713877 SWMGWRHSYGIONS-JXMROGBWSA-N 371.389 4.297 30 40 FIEB COC(=O)c1sc2ncc(C(=O)/C=C/c3ccc(C#N)cc3)cc2c1C 24825343 DDYJYRZGTRNBEW-BQYQJAHWSA-N 362.410 4.159 30 40 FIEB CCOC(=O)/C(=C/C(=O)c1ccc(Cl)cc1)Nc1ccc(OC)cc1 409190605 SQIJLPVBCFLLSX-ATVHPVEESA-N 359.809 4.090 30 40 FIEB Cc1ccccc1-n1c(SCC#N)nc2sc3c(c2c1=O)CCCC3 6479625 ILAAAOFBJGIDPE-UHFFFAOYSA-N 367.499 4.250 30 40 FIEB C=CCN(C(=O)Cc1c(C)noc1C)c1nc(-c2ccccc2)cs1 19627973 JSDOZYYQZRZUGA-UHFFFAOYSA-N 353.447 4.177 30 40 FIEB N#CC1CCN(Cc2cc(C(F)(F)F)c(Br)cc2F)CC1 1238510104 CHWWIYJNYQWRNK-UHFFFAOYSA-N 365.168 4.343 30 40 FIEB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(C(C)=O)[C@@]4(C)C(=O)C[C@@H]32)C1 5631619 MPXJSJVWSXWSNI-FNQZYCOSSA-N 372.505 4.265 30 40 FIEB N#Cc1c(-c2ccccc2)nc(SCc2c(F)cccc2Cl)[nH]c1=O 5238213 QBUMTBXYPJJKKS-UHFFFAOYSA-N 371.824 4.393 30 40 FIEB Cc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)ccc1[N+](=O)[O-] 687055 LWIOLEPZQDYDQT-SNVBAGLBSA-N 355.419 4.214 30 40 FIEB CCOC(=O)CSc1nc(C23CC4CC(CC(C4)C2)C3)ccc1C#N 4794715 RVIGDJGJFWSZQD-UHFFFAOYSA-N 356.491 4.076 30 40 FIEB C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccccc3C)cc21 8959528 TXAMLDWCLTXPOO-UHFFFAOYSA-N 364.445 4.185 30 40 FIEB O=C(/C=C/c1cccc(NC(=O)C(F)(F)F)c1)c1ccc(F)c(F)c1 11330752 VPRKTBIVZSHATK-QPJJXVBHSA-N 355.262 4.362 30 40 FIEB CC(=O)Nc1sc(N/N=C/c2ccccc2F)nc1-c1cccs1 13552771 QRXLHKFKGROOLR-GIJQJNRQSA-N 360.439 4.415 30 40 FIEB C=CCOc1ccc(NC(=O)[C@@H](C)Sc2ccc(OC)c(OC)c2)cc1 20455292 WITDXFNWGCGHAP-CQSZACIVSA-N 373.474 4.388 30 40 FIEB N#C[C@@H]1C(=O)Nc2nc3ccccc3n2[C@@H]1c1ccc(Cl)cc1Cl 20637927 XMLITCKZAZIILF-XHDPSFHLSA-N 357.200 4.024 30 40 FIEB N#Cc1c(OCc2ccc(F)cc2)nn(Cc2cccc3ccccc23)c1N 225849055 WLOAZJGKKAYGOR-UHFFFAOYSA-N 372.403 4.257 30 40 FIEB Cc1ccnc(-n2c(C)cc(/C=N/OCc3cccc([N+](=O)[O-])c3)c2C)c1 408589076 CWIFPRBMUNMIMA-WSDLNYQXSA-N 364.405 4.256 30 40 FIEB C=CCOc1ccc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1OCC 408618754 GJDFRAQPAZICDI-UHFFFAOYSA-N 356.378 4.119 30 40 FIEB COc1ccccc1C(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 5921671 SSLHMQFEIUJURM-UHFFFAOYSA-N 359.429 4.286 30 40 FIEB O=S(=O)(Nc1ccccn1)c1ccc(/N=C/c2ccccc2Cl)cc1 6059879 KLGBKTCWCOVZMV-FYJGNVAPSA-N 371.849 4.286 30 40 FIEB Cc1ccc([C@@H](C)NC(=O)CSc2nc(C)c(C)c(C)c2C#N)cc1C 7058609 XVSUSBJWRLQIMZ-QGZVFWFLSA-N 367.518 4.465 30 40 FIEB C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc2ccccc2oc1=O 7980466 ZDICOPWULZZGCT-UHFFFAOYSA-N 359.834 4.336 30 40 FIEB Cc1ccc(-c2csc(NC(=O)c3ccc(C#N)cc3)n2)cc1[N+](=O)[O-] 12621443 ZZMQYZGKRJPLQO-UHFFFAOYSA-N 364.386 4.151 30 40 FIEB CC[C@@H]1S/C(=N\N=C\c2ccccc2)N(Cc2ccc(F)cc2)C1=O 51366875 HRXBFBYTBLGFIV-ILZOBUCISA-N 355.438 4.070 30 40 FIEB CCC[C@H]1S/C(=N\N=C\c2ccco2)N(Cc2ccccc2C)C1=O 51366924 BUDBDFURVCPBJC-REYLQNMUSA-N 355.463 4.222 30 40 FIEB C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)N1CCN(c3cccc(C)c3C)CC1)C2 100284421 SMWWPGGPWVRPFQ-WMZHIEFXSA-N 352.522 4.335 30 40 FIEB C#C[C@@]1(O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC45OCCO5)[C@@H]3CC[C@@H]2C1 118915153 VCQVEQNCPAVVLX-FAWMDMTCSA-N 358.522 4.137 30 40 FIEB Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 408754758 IEMJDDLJHQNIGP-UHFFFAOYSA-N 372.380 4.465 30 40 FIEB CCN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)S/C1=N/c1ccc(F)cc1 409224026 HDHHZUANKWRMKG-YYUDZJCFSA-N 371.393 4.358 30 40 FIEB C[C@H](OC(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)cc1Cl 2617326 QQHUDYLZNQFGLZ-JTQLQIEISA-N 363.200 4.049 30 40 FIEB COc1cc(/C=C/C(=O)c2cccc(C(F)(F)F)c2)cc(OC)c1O 6639671 JBBXLCUDVWEHMO-VOTSOKGWSA-N 352.308 4.324 30 40 FIEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 8316115 MNMFYMWJSRPCFN-CQSZACIVSA-N 364.401 4.006 30 40 FIEB CCOc1cc2c(cc1/C=C/C(=O)c1ccc(N(C)C)cc1)O[C@@H](C)C2 12523385 RBVLTBXHSHAELD-SHQCLWGWSA-N 351.446 4.371 30 40 FIEB CCCc1cc(Cl)nc(/N=C(\N)Nc2cc(Cl)cc(Cl)c2)n1 33378874 ITEHARFUGWHYLP-UHFFFAOYSA-N 358.660 4.448 30 40 FIEB O=c1nc(N/N=C/c2ccc(Cl)cc2)n(-c2ccccc2)c2ccccc12 33666790 PGYGKCDPOPWYPJ-OEAKJJBVSA-N 374.831 4.485 30 40 FIEB C=CCN(C(=O)C1CCN(c2nc3ccccc3o2)CC1)c1ccccc1 48277331 CLPYNAZHPZJCJY-UHFFFAOYSA-N 361.445 4.263 30 40 FIEB N#Cc1ccc(NCC(=O)NCc2cccc(Oc3ccccc3)c2)cc1 59952088 QXMUPPHLRYAPDQ-UHFFFAOYSA-N 357.413 4.079 30 40 FIEB Cn1nccc1/C=C1\C[C@H]2[C@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)C1=O 71785086 ANYSKZGJSBHZPP-KRQOWKMJSA-N 362.473 4.244 30 40 FIEB O=S(=O)(NCc1ccc(/C=N/c2ccccc2Cl)o1)c1ccccc1 408776294 YIRWUXYYXRNJIW-UDWIEESQSA-N 374.849 4.162 30 40 FIEB CN1C(=O)S/C(=C\c2cn(Cc3ccccc3C#N)c3ccccc23)C1=O 408814125 QFHXNXKRHXZDLZ-GRSHGNNSSA-N 373.437 4.227 30 40 FIEB COc1ccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c(C)c1 409401057 ABLIOJCWRBTSIM-UHFFFAOYSA-N 369.424 4.263 30 40 FIEB C=CCN1[C@@H]2CCC[C@@H]1CC(NC(=O)Nc1ccccc1C(F)(F)F)C2 1370319 WPBRIIFXOWZNSD-HUUCEWRRSA-N 367.415 4.398 30 40 FIEB CCN1C(=S)N[C@H](c2c(F)cccc2F)C(C(=O)c2ccccc2)=C1C 3324196 FNIJIOBEGFQWFH-SFHVURJKSA-N 372.440 4.373 30 40 FIEB C=CC/N=c1/scc(-c2ccc(F)cc2)n1/N=C/c1ccc(C#N)cc1 103371579 JVKGIUWKJCARCQ-UOWSBTSXSA-N 362.433 4.196 30 40 FIEB N#Cc1ccc(NC(=O)COC(=O)c2ccccc2Oc2ccccc2)cc1 3380381 GFHWIYPIAOETPM-UHFFFAOYSA-N 372.380 4.146 30 40 FIEB CCc1c(C)c(C#N)c2nc3ccccc3n2c1N/N=C/c1cccc(O)c1 5461655 UXHYLQXIQLQMAR-ZMOGYAJESA-N 369.428 4.382 30 40 FIEB N#Cc1c(N)nc2sc(C(=O)c3ccccc3)c(N)c2c1-c1ccccc1 19117329 ILFPDFLKWHEXDA-UHFFFAOYSA-N 370.437 4.230 30 40 FIEB C=C[C@@H](C)N1C(=O)S/C(=C\c2ccc(N3CCCCC3)cc2OC)C1=O 409230732 FWWXXZGEGWGKCL-IIMQCXAKSA-N 372.490 4.296 30 40 FIEB COc1ccccc1/C=N\Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 31854355 UWUZQOHYAIGQJG-ZDLGFXPLSA-N 354.391 4.173 30 40 FIEB C#C[C@]1(O)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CC[C@H](OC(C)=O)[C@@]4(C)CC[C@H]32)C1 253617562 VHAGTEAFULKJNP-UDPUNPHXSA-N 358.522 4.325 30 40 FIEB C(=N\N1CCN(c2ccccn2)CC1)\c1cccc(Oc2ccccc2)c1 4482703 MSVHRGQKHWUQIK-MOHJPFBDSA-N 358.445 4.030 30 40 FIEB C=C(C)Cn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccncc1 16807852 CFDXKDYDOSKTOS-UHFFFAOYSA-N 367.434 4.117 30 40 FIEB C=CCn1c(S[C@H](C)C(=O)NC2CCCCC2)nnc1-c1ccccc1 6650646 CFHOAWUIHRETOL-OAHLLOKOSA-N 370.522 4.061 30 40 FIEB CCSc1nc2n(n1)[C@@H](c1ccccc1C)C1=C(CC(C)(C)CC1=O)N2 6677845 RGKPTRBVPGQYLS-KRWDZBQOSA-N 368.506 4.357 30 40 FIEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(N2CCCCC2)cc1 7364489 HLPIMGNZCDADGL-UHFFFAOYSA-N 374.444 4.493 30 40 FIEB CCCOc1ccc(C(=O)CCC(=O)OCc2ccccc2C#N)cc1 7772391 JVGYYYVWOZYVLX-UHFFFAOYSA-N 351.402 4.053 30 40 FIEB CSc1nc(C2CC2)cc(C(=O)OCc2nc3ccccc3o2)c1C#N 12572245 BXMRYYHHHUUZNI-UHFFFAOYSA-N 365.414 4.051 30 40 FIEB C=C(C)CSc1nnc(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)s1 12980054 VPLQHUSFFOOPPR-JHJVBQTASA-N 371.597 4.239 30 40 FIEB COc1ccccc1N1CCN(/N=C(/C)c2ccc3ccccc3c2)CC1 13617300 CNCNIJXKWMJJLW-MOHJPFBDSA-N 359.473 4.395 30 40 FIEB C=CCn1c(SCc2ccccc2F)nc2c([nH]c3ccccc32)c1=O 16890325 SUPYDYCWFGWJLD-UHFFFAOYSA-N 365.433 4.495 30 40 FIEB Cc1cc(-c2cc(-c3cc[nH]c3)nc(N)c2C#N)c(C)n1-c1cccnc1 71738468 ZGPJIOSCJSZILF-UHFFFAOYSA-N 354.417 4.000 30 40 FIEB C=CCn1c(=O)c2ccccc2n2c(SCCCC3CCCC3)nnc12 78965485 CAQISXQOTDQNRZ-UHFFFAOYSA-N 368.506 4.293 30 40 FIEB C=CCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1ccccc1Cl 101231723 NPVXVXZNGRNULI-GHNGSUTGSA-N 367.832 4.256 30 40 FIEB CC(CC/C(=N\O)c1ccccc1)(CC/C(=N\O)c1ccccc1)[N+](=O)[O-] 104252923 SJOBLYMBGXOYQZ-MGJZZARISA-N 369.421 4.339 30 40 FIEB Cc1nnc(S)n1/N=C/c1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C 408865307 CANRJBGIEAPJHL-CIAFOILYSA-N 367.522 4.462 30 40 FIEB Cc1ccc(C)c(NC(=O)[C@H](C)Sc2nc(C3CC3)nc(C)c2C#N)c1 32770793 XISDWGQPVCVWQG-AWEZNQCLSA-N 366.490 4.270 30 40 FIEB CC(C)(C)C(=O)C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1F 626179 VGGUFFLOPBGDJY-GOSISDBHSA-N 367.420 4.337 30 40 FIEB COCCN1C(=O)/C(=C/c2sccc2C)S/C1=N\c1ccccc1 2777224 GGDAMOAVXMTWGB-CEVXTBJXSA-N 358.488 4.307 30 40 FIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCc4ccccc4OC)[C@H]3C[C@@H]12 12659776 REYKQEWDDZDTTM-WYQAVIRWSA-N 369.505 4.099 30 40 FIEB biogenic O=C1NC(=Nc2ccc(Cl)cc2[N+](=O)[O-])S/C1=C/c1ccccc1 408753442 PTUWJVHHEYIOBH-RIYZIHGNSA-N 359.794 4.140 30 40 FIEB C=CCN1C(=O)S/C(=C/c2cc(C)n(Cc3ccccc3)c2C)C1=O 409100623 QWBRZYKTVXNMCD-LDADJPATSA-N 352.459 4.376 30 40 FIEB Cc1ccc(S(=O)(=O)N/N=C/c2ccc(Sc3ccccc3)o2)cc1 409001834 WXFNXZPGGXZGHH-CPNJWEJPSA-N 372.471 4.052 30 40 FIEB C#CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)cc1 214002624 GTUWVFQFEMYKDO-KLPPEWMLSA-N 362.454 4.241 30 40 FIEB CCCC/N=C1\S/C(=C/c2ccc(O)c(OC)c2)C(=O)N1CCCC 35042039 OELKKTLPKVIQRA-YWKYIXQJSA-N 362.495 4.273 30 40 FIEB Cc1cc2cc(C#N)c(SCC(=O)NC3CCCCC3)nc2cc1C 34791474 VXRGKQYHWDCYRR-UHFFFAOYSA-N 353.491 4.264 30 40 FIEB C/N=C1\S/C(=C\c2cc3c(cc2C)N(C)C(C)(C)C[C@@H]3C)C(=O)N1C 223570386 LCWPTCZIWADCKN-CGLXJFEDSA-N 357.523 4.249 30 40 FIEB CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc(N3CCCC3)cc2)c1O 3068718 HDBAOPBAMLNQEM-DEDYPNTBSA-N 355.394 4.050 30 40 FIEB C=CCn1c(S[C@@H]2CCCCc3ccccc32)nnc1-c1cnccn1 157826222 MPYGGUOSYIVNJF-GOSISDBHSA-N 363.490 4.481 30 40 FIEB CC1=C(C(=O)c2ccccc2)[C@H](c2cccc(C(F)(F)F)c2)NC(=O)N1 5517421 MLLSZMXLQMTNJP-INIZCTEOSA-N 360.335 4.216 30 40 FIEB O=C1/C(=N\Nc2ccccn2)c2ccccc2N1Cc1ccccc1Cl 6045435 YAZUYFGHUWSMGT-CLCOLTQESA-N 362.820 4.098 30 40 FIEB CC/N=C1/S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1CC 6634105 VBTKVYSGTHFJFD-QOOZPXINSA-N 371.418 4.167 30 40 FIEB N#Cc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2cccs2)cc1 12997858 BJXDLCMXUQVAFC-UHFFFAOYSA-N 368.483 4.011 30 40 FIEB Cc1ccc(-c2c[n+](CC(=O)N(c3ccccc3)C(C)C)c3n2CCC3)cc1 16955776 ISHVWYZMUKABDU-UHFFFAOYSA-N 374.508 4.139 30 40 FIEB N#Cc1c(N)nc2c(c1-c1ccc(Cl)cc1)CN(Cc1ccccc1)CC2 18241846 MOLSSGZGPBBPMU-UHFFFAOYSA-N 374.875 4.414 30 40 FIEB CC(C)(C)[C@@H]1CCc2nc(N)c(C#N)c(-c3ccc([N+](=O)[O-])cc3)c2C1 19832163 GZMBFGVNBVZZGJ-CYBMUJFWSA-N 350.422 4.262 30 40 FIEB COc1cc([C@H]2C3=C(CCCC3=O)Nc3onc(C(C)(C)C)c32)ccc1O 20722240 VVOIWXBOOKBGRB-INIZCTEOSA-N 368.433 4.251 30 40 FIEB C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 58167239 RUMSCAMATHWSDW-CABCVRRESA-N 369.962 4.220 30 40 FIEB CC1=C(N/N=C2\C=CC(=O)c3ccccc32)C(=O)[C@H](c2ccccc2)[C@H]1C 1554504461 WBKWGZNUFKYIDG-PZVXDXFWSA-N 356.425 4.009 30 40 FIEB CCc1c(C)c(C#N)c2nc3ccccc3n2c1N/N=C/c1ccccc1O 5461477 CXGTUGATCHCEOL-ZMOGYAJESA-N 369.428 4.382 30 40 FIEB CCCC[C@@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccccc1OC 35147546 MZTQFNCSNRDZOG-BEFAXECRSA-N 359.466 4.196 30 40 FIEB CC(C)c1ccc(N/N=C2\C(=O)N(C3CSC3)c3ccccc32)cc1 223718778 MTJNAKDSHBECGP-QOCHGBHMSA-N 351.475 4.088 30 40 FIEB C=CCSc1ccccc1C(=O)n1cc(C(=O)OC)c2ccccc21 222628755 DYSQMFJFQULOFD-UHFFFAOYSA-N 351.427 4.395 30 40 FIEB C=CCN(c1cccc(OCC)c1)S(=O)(=O)c1ccc(SC)cc1 224992717 SKGOLLDFQQTTEC-UHFFFAOYSA-N 363.504 4.189 30 40 FIEB CCC[C@@H]1S/C(=N\N=C\c2ccco2)N(Cc2ccc(F)cc2)C1=O 95471663 YCPKIVUMIJASHD-KZFPWWDTSA-N 359.426 4.053 30 40 FIEB C[P@@](=O)(O)O[C@@H](c1ccccc1)C(F)(F)C(F)(F)OC(F)(F)F 4936198 YOLCKSNGFPXNQE-QMMMGPOBSA-N 370.157 4.324 30 40 FIEB COc1cc(C#N)ccc1OC(=O)CCCOc1ccc(Cl)cc1C 15988501 SKPOFQNMXCKEOQ-UHFFFAOYSA-N 359.809 4.293 30 40 FIEB O=C1N/C(=N/c2ccc3ccccc3c2)S/C1=C\c1ccc(O)c(O)c1 5376390 YCPFCQJDPZSXIT-ZDLGFXPLSA-N 362.410 4.143 30 40 FIEB N#Cc1c(NC(=S)NC(=O)c2ccccc2)sc2c1CCCCC2 827137 NZRTWPXMSDDNKA-UHFFFAOYSA-N 355.488 4.015 30 40 FIEB CCCCCCCC(=O)NN1C(=O)/C(=C/c2ccccc2)SC1=S 2240106 ODUUHQSYLRZEJK-SQFISAMPSA-N 362.520 4.280 30 40 FIEB CC(C)Cn1c(SCC(=O)Nc2ccccc2C#N)nc2ccccc21 4264718 QNAMBWLXTGYOHV-UHFFFAOYSA-N 364.474 4.295 30 40 FIEB C/C(=N\Nc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(Br)cc1 4519753 MQJOOEMLDSHWMF-VCHYOVAHSA-N 359.183 4.065 30 40 FIEB N#C/C(=N/Nc1ccc(F)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 5024231 ADZLMMFGYIVVLU-JCMHNJIXSA-N 367.365 4.197 30 40 FIEB N#Cc1ccc(NC(=O)CCc2ncc(-c3c(F)cccc3F)o2)cc1 12831814 OBRLOTYOHBCIJC-UHFFFAOYSA-N 353.328 4.063 30 40 FIEB C=C(C)COc1ccc(-c2nc(N)ncc2-c2ccccc2OC)c(O)c1 15952641 RCTKUXTUNFRIHB-UHFFFAOYSA-N 363.417 4.062 30 40 FIEB biogenic C=C(C)CNC(=S)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 36847968 ZLDOZJFIRWBKBL-OAHLLOKOSA-N 353.491 4.040 30 40 FIEB Cc1ccc(C)c2c1/C(=N/O)C(=O)N2Cc1ccc(OCCC(C)C)cc1 46085257 KUIDNVWOJTXMEW-ATJXCDBQSA-N 366.461 4.453 30 40 FIEB COc1ccc(-c2n[nH]cc2/C=C/C(=O)c2cc3ccccc3oc2=O)cc1 71785023 XYADMOKYTDPSAC-DHZHZOJOSA-N 372.380 4.088 30 40 FIEB O=C(Nc1cccc(C(F)(F)F)c1)O[C@H]1C[C@@H]2C[C@@H]1[C@H]1C[C@H]3O[C@@H]3[C@H]21 100818665 YIEKQZZNLCOSAB-BZRGLIEHSA-N 353.340 4.066 30 40 FIEB C=CCO/N=C(\C)c1c(O)c(C)c(-c2ccccc2)n(-c2ccccc2)c1=O 101680342 BLAWSDSRGLMSEA-JJIBRWJFSA-N 374.440 4.445 30 40 FIEB COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@@H](C)[C@@H]2CCCC[C@@H]21 109039141 YNGMSUOORXTWSJ-NEWSRXKRSA-N 370.493 4.153 30 40 FIEB Cc1c(B2OC(C)(C)C(C)(C)O2)c(-c2ccc(Cl)s2)nn1C(C)C 204016053 PZDXLTMVHFNMSP-UHFFFAOYSA-N 366.723 4.454 30 40 FIEB C=CCSc1nnc(NC(=O)[C@@H](CC)Oc2cc(C)cc(C)c2)s1 224809938 OHPIGCMQAQVZDO-CQSZACIVSA-N 363.508 4.229 30 40 FIEB COC(=O)C1=C(C)N(c2ccccc2)/C(=C/c2ccccc2Cl)C1=O 408975493 MGIVJLSRMOKZHV-SFQUDFHCSA-N 353.805 4.217 30 40 FIEB Cc1cc(/N=C\c2ccc(OCC(=O)OC(C)C)cc2)cc([N+](=O)[O-])c1C 409187332 OZVBMPLXLVPQIV-NHDPSOOVSA-N 370.405 4.293 30 40 FIEB N#Cc1nc(COc2ccc(Br)cc2)oc1NCc1ccco1 2497612 KLNDIUBHMXQQTE-UHFFFAOYSA-N 374.194 4.093 30 40 FIEB COc1cccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)c1OC 4660310 LQWIZDSFOOOBSE-MSYUKONTSA-N 368.458 4.246 30 40 FIEB Cc1ccc(/C=N/N=C2/S[C@H](C)C(=O)N2Cc2ccccc2)c(C)c1 4956009 VLONDOVIFPMYKE-XMGNELRJSA-N 351.475 4.157 30 40 FIEB O=C(C1=C(O)C(=O)N(c2ccc(O)cc2)[C@@H]1c1ccccc1)c1ccccc1 5491445 BYXCYOZKXQXYEV-HXUWFJFHSA-N 371.392 4.175 30 40 FIEB Cc1ccc(/C=C2/S/C(=N\c3ccc(Br)cc3)NC2=O)o1 8413633 SMLNRNOWMWDLBX-MDWZMJQESA-N 363.236 4.242 30 40 FIEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H]1CCSc2ccccc21 12991521 HJLLFDSSCKRRFM-INIZCTEOSA-N 363.442 4.217 30 40 FIEB COc1ccc([C@H]2CCCCCN2CC(=O)Nc2cccc(C#N)c2)cc1 13011203 OQFPCDDQAWFXAM-OAQYLSRUSA-N 363.461 4.123 30 40 FIEB CCOc1cc(C#N)cc(Br)c1OC(=O)c1ccccc1C 13140750 KZWWLHXZGDFFHW-UHFFFAOYSA-N 360.207 4.247 30 40 FIEB C=CCn1c(S[C@@H](C#N)Cc2ccc(C)cc2)nnc1-c1ccco1 28503411 DSEQDHVTWQRSTP-MRXNPFEDSA-N 350.447 4.260 30 40 FIEB C=CCOc1ccc(C(=O)N[C@@H](C)c2nc3ccccc3n2C(F)F)cc1 32786730 XPPSLYBPIYOTFS-ZDUSSCGKSA-N 371.387 4.487 30 40 FIEB COc1ccc(NC(=O)CSc2nc3ccc(C)cc3cc2C#N)cc1 1222308 WKVRVZPWQGHMDS-UHFFFAOYSA-N 363.442 4.154 30 40 FIEB N#Cc1ccccc1OCc1cc(=O)oc2cc(Br)ccc12 11400119 NINOESYDOFOHIB-UHFFFAOYSA-N 356.175 4.006 30 40 FIEB N#Cc1cccc(OCC(=O)N(Cc2ccccc2)Cc2ccccc2)c1 3412261 SQDDTBVYPSWEHG-UHFFFAOYSA-N 356.425 4.166 30 40 FIEB Cc1sc(NC(=O)Cc2c(F)c(F)c(F)c(F)c2F)c(C#N)c1C 24692046 DATBVRPXXHHNKS-UHFFFAOYSA-N 360.307 4.113 30 40 FIEB CCOCCN1C(=O)/C(=C/c2ccc(C)o2)S/C1=N/c1ccccc1 408930113 SGDYHYLKCGLKSF-CAUPHXMNSA-N 356.447 4.229 30 40 FIEB Cc1nn(C)c2ncc(/C(O)=N/[C@@H]3CCCc4sc(Cl)cc43)cc12 329305667 XQKYXRLKGOVJQP-CYBMUJFWSA-N 360.870 4.374 30 40 FIEB CCOc1cc(/C=C2\C(=O)ON=C2C)ccc1OCCc1ccccc1 96193641 SZXKJOULSBAQJO-AQTBWJFISA-N 351.402 4.023 30 40 FIEB C/C(=N\Nc1nc2ccccc2s1)c1cccc(N2CCOC2=O)c1 585145978 CQADORAEAIDXIU-UDWIEESQSA-N 352.419 4.089 30 40 FIEB COc1ccc(/C=C2\S/C(=N\c3cc(C)cc(C)c3)NC2=O)cc1OC 1005182 NASIGTISLUHMAK-WQRHYEAKSA-N 368.458 4.212 30 40 FIEB CCCCN(C)Cc1c(O)ccc2c1O/C(=C\c1cccc(OC)c1)C2=O 20517439 BYOVCIYOAXQTQP-MOSHPQCFSA-N 367.445 4.249 30 40 FIEB COc1ccccc1[C@@H]1CCCC[C@@H]1OS(=O)(=O)c1ccc(C)cc1 1706528 SCPHFSRGKCEXLQ-ICSRJNTNSA-N 360.475 4.435 30 40 FIEB C=CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(Cl)cc1 5556228 KDBWTSYRBQWKLV-QGZVFWFLSA-N 351.789 4.178 30 40 FIEB CCCCCCCCCC(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC 8432416 NKDBPSCVBPWTJS-UHFFFAOYSA-N 363.454 4.339 30 40 FIEB C[C@H]1C[C@H](C)CN(Cc2c(O)ccc3c2O/C(=C\c2ccco2)C3=O)C1 20517682 APJIGOSLGVEYBG-KEHVOCCWSA-N 353.418 4.079 30 40 FIEB biogenic O=[N+]([O-])c1ccc(N/N=C\c2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])c1 31670225 VMJTYZJSMCLRIH-APSNUPSMSA-N 355.137 4.256 30 40 FIEB N#Cc1cnc(N2CCCCC[C@H]2C[C@H](O)c2ccccc2)c(Cl)c1 75106876 HWRJKPYLFYBQOI-HKUYNNGSSA-N 355.869 4.479 30 40 FIEB COc1ccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc1 409288285 FRZFEDQBLFBXMD-UHFFFAOYSA-N 361.445 4.335 30 40 FIEB O=[N+]([O-])c1cc(/C=N/c2ccc(Br)cn2)c(O)c2ccccc12 2270028 ZKYVIQPYXMVAHE-QGMBQPNBSA-N 372.178 4.362 30 40 FIEB C=CCSc1nc2sc3c(c2c(=O)n1CC=C)C[C@](C)(CC)OC3 2353103 NZGAZJXYNMTXEP-SFHVURJKSA-N 362.520 4.164 30 40 FIEB CCOc1ccc(/C=N/n2cnnc2SCc2ccc(C)cc2)cc1 4342102 VJHLYBCNWLOKJO-CIAFOILYSA-N 352.463 4.160 30 40 FIEB C=CCn1c(SCCOc2cc(C)cc(C)c2)nnc1-c1ccncc1 6851432 ITIODCBOHHURSR-UHFFFAOYSA-N 366.490 4.314 30 40 FIEB C=CCc1cc(C(=O)Nc2cc(C(=O)OC)ccc2Cl)ccc1OC 14401853 ZWKHFQYNZZWBMY-UHFFFAOYSA-N 359.809 4.116 30 40 FIEB O=C1N/C(=N/c2ccc(F)cc2)S/C1=C\c1ccc(N2CCCCC2)o1 18141506 QABGLFIFSBKXBO-VBKFSLOCSA-N 371.437 4.301 30 40 FIEB O=C(CCc1c[nH]c2ccccc12)NCC#Cc1cccc(C(F)(F)F)c1 23055383 CQUASPJLPSUGHF-UHFFFAOYSA-N 370.374 4.287 30 40 FIEB N#CCc1ccc(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1 38849844 WGUMLPGAYNSDQW-SFHVURJKSA-N 367.880 4.257 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2cccc(F)c2)C[C@H]1c1ccc(OC)cc1 97104938 WPKXKKMHTUJEPI-PZJWPPBQSA-N 368.404 4.154 30 40 FIEB CN1CCc2ccc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)cc21 97117150 SCQMRWMRKMYEEN-CQSZACIVSA-N 367.861 4.432 30 40 FIEB N#Cc1ccccc1C[C@H]1c2ccccc2Cn2c1nc(=O)c1ccccc12 1781012 RXSKRLHIHRTZPM-NRFANRHFSA-N 363.420 4.004 30 40 FIEB COC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(C(C)C)cc1)C2=O 2107155 SIKIPCLWDIIQAH-LPKQHDGYSA-N 366.413 4.367 30 40 FIEB biogenic N#Cc1c(Cl)nc(N/N=C/c2ccccc2C=O)c(Cl)c1Cl 4703514 ICAOBSJEAOHKJS-KPSZGOFPSA-N 353.596 4.172 30 40 FIEB Cc1ccc([C@@H]2C3=C(C[C@@H](c4ccc(F)cc4)CC3=O)Nc3ncnn32)cc1 4814170 FHWOGXHJJVRSGD-IIBYNOLFSA-N 374.419 4.141 30 40 FIEB CCCCCCCNC(=O)C(=O)NCC(c1ccccc1)c1ccccc1 408706636 BJXBXGAMDJLLJT-UHFFFAOYSA-N 366.505 4.021 30 40 FIEB Cc1ccc(COc2ccc(/C=N\Nc3ccc([N+](=O)[O-])cn3)cc2)cc1 38196338 UQRCXBIGHAWMOK-UUYOSTAYSA-N 362.389 4.323 30 40 FIEB CCN1C(=O)/C(=C\c2ccccc2)S/C1=N\c1cccc(C(=O)O)c1 33309068 OIUGRIXNIFLTPJ-DOXJHMMXSA-N 352.415 4.009 30 40 FIEB S=C(N/N=C(\c1ccccc1)c1ccccn1)Nc1ccccc1Cl 17253016 NUGHTOYKAXQEHF-PTGBLXJZSA-N 366.877 4.474 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(Nc2ccccc2F)C[C@H]1c1ccccc1 1079787 ZPJLFOUFRGXAEH-JXFKEZNVSA-N 353.393 4.057 30 40 FIEB O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](/C=C/c1ccccc1)n1ncnc1N2 5390575 JCOWSASSMIDHRN-KALAYHLKSA-N 368.440 4.359 30 40 FIEB N#Cc1c(-c2cccs2)cc(-c2ccc(Br)cc2)[nH]c1=O 642620 BYYLAVWFYQGAQT-UHFFFAOYSA-N 357.232 4.405 30 40 FIEB COc1ccc(/C=C/C(=O)c2cccc(NC(C)=O)c2)cc1Br 7744095 UDCLMRWKPCLRST-SOFGYWHQSA-N 374.234 4.312 30 40 FIEB CCOc1ccccc1O[C@H]1CCC[C@H]1Nc1snc(Cl)c1C#N 75148728 LXNUOAWBGVZVCN-OLZOCXBDSA-N 363.870 4.479 30 40 FIEB CCc1ccccc1/N=C1\S/C(=C/c2ccc3c(c2)OCO3)C(=O)N1C 408915964 SLYCAKFENHJRCT-QFAYSNGYSA-N 366.442 4.212 30 40 FIEB C=CCOc1ccc(C(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc1 225714266 MBUJBGKXLHMPTI-UHFFFAOYSA-N 351.431 4.331 30 40 FIEB COc1ccc(/N=C/c2c(C)c(Cl)c(C)c([N+](=O)[O-])c2O)cc1OC 2490177 HJGKAHSFITYKTP-UFWORHAWSA-N 364.785 4.338 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(C)cc2)C[C@H]1c1ccccc1OC 4919983 AFLZQWWRXPVFGB-UGKGYDQZSA-N 364.441 4.323 30 40 FIEB C=CCOc1ccc(/C=C2\S/C(=N\c3ccc(C)cc3)NC2=O)cc1 5551290 GUJGKDTYFVWOMU-AQTBWJFISA-N 350.443 4.451 30 40 FIEB CSc1ccc(/C=N/O[C@@H](C)C(=O)N[C@@H](C)CCc2ccccc2)cc1 6087906 DRBMKRUUBHSSJQ-UMWLBHSDSA-N 370.518 4.285 30 40 FIEB COc1ccc(Br)cc1/C=C/C(=O)c1ccc(N(C)C)cc1 6831950 RISWVKXBQBNVID-UXBLZVDNSA-N 360.251 4.420 30 40 FIEB Cc1ccccc1/C=C1\Oc2cc(OCC(=O)OC(C)(C)C)ccc2C1=O 13653932 DOSPPDQWKYLRGV-ODLFYWEKSA-N 366.413 4.332 30 40 FIEB CCOc1cc2c(cc1/C=C/C(=O)c1ccc(OCC#N)cc1)O[C@@H](C)C2 15352605 XGIJTKNKFQEWBS-PPYMECGQSA-N 363.413 4.207 30 40 FIEB C=CCN([C@@H]1CCc2ccccc21)S(=O)(=O)c1ccc(Cl)s1 32916397 KSQNKBVEUKQHMW-CQSZACIVSA-N 353.896 4.266 30 40 FIEB CCOc1cc([N+](=O)[O-])cc(/C=N/Nc2ccc(Cl)cc2Cl)c1O 35188465 SINRILFOFKAJGG-QGMBQPNBSA-N 370.192 4.452 30 40 FIEB S=c1[nH]nc(N/N=C\c2ccccc2OCc2ccccc2Cl)[nH]1 35657501 OVORHOAHSLROKJ-NVMNQCDNSA-N 359.842 4.146 30 40 FIEB O=C1C(=O)N(c2ccccc2)[C@H](c2ccc(F)cc2)/C1=C(\O)c1ccccc1 100439880 BQEHVJQOZUWCQY-YDJIHCHBSA-N 373.383 4.452 30 40 FIEB C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C(Br)=C4CC[C@@H]3[C@H]1CC[C@@H]2O 263593180 AYZGVGDSHHIXQT-GJBGXAPZSA-N 353.300 4.212 30 40 FIEB COc1ccc(C)cc1N=C1NC(=O)/C(=C/C=C/c2ccccc2)S1 408864227 UMCOULWZCDSLBN-CVCOPPNTSA-N 350.443 4.451 30 40 FIEB C=CCN1C(=O)N/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C1=O 409126583 CVJWOSAHZBYEJX-LCYFTJDESA-N 363.200 4.332 30 40 FIEB N#CCC1CCN(Cc2cc(Br)cc(Br)c2)CC1 573045255 IADJXKISNKSHCN-UHFFFAOYSA-N 372.104 4.337 30 40 FIEB COC(=O)c1cc(/C=C2\Cc3cc4c(cc3C2=O)CCC4)cc2c1CCC2 1855541 SLVZSMHBJJVTAJ-DJKKODMXSA-N 358.437 4.273 30 40 FIEB Cc1ccc(C[C@@H](C#N)Sc2nnc(C3CC3)n2Cc2ccco2)cc1 58167593 KZWUUFYXEDMCNU-SFHVURJKSA-N 364.474 4.332 30 40 FIEB CC[C@@H]1CCc2c(sc(NC(=O)c3ccc(OC)c(OC)c3)c2C#N)C1 998066 RMUVQCCLIOTODQ-GFCCVEGCSA-N 370.474 4.404 30 40 FIEB CC(=O)Nc1cccc(/N=C2\NN=C(c3ccc(C(C)C)cc3)CS2)c1 26144561 CGFGBKCKTZSMRX-UHFFFAOYSA-N 366.490 4.497 30 40 FIEB C=CCNC(=O)CCc1c(-c2ccc(OC)cc2)[nH]c2ccc(F)cc12 11241219 RXSBZIRJQIBJCA-UHFFFAOYSA-N 352.409 4.217 30 40 FIEB N#CCSc1ccccc1NC(=O)COc1ccc(F)c(Cl)c1 3429139 JWAIOHHXPNLINV-UHFFFAOYSA-N 350.802 4.112 30 40 FIEB Cc1ccc(C)c(S(=O)(=O)/N=C(\O)C2(c3ccc(F)cc3)CCC2)c1 48472173 YLQZOAPJADYKKK-UHFFFAOYSA-N 361.438 4.210 30 40 FIEB C[C@H]1C[C@@H](C)CN(Cc2c(O)ccc3c2O/C(=C\c2ccco2)C3=O)C1 4472843 APJIGOSLGVEYBG-NEHIUCFPSA-N 353.418 4.079 30 40 FIEB biogenic COCCc1ccc(-c2csc(NC(=O)c3ccc(C#N)cc3)n2)cc1 7973676 VURFCHOUBPBOSS-UHFFFAOYSA-N 363.442 4.123 30 40 FIEB C[C@](C#N)(NC(=O)CNc1cc(Cl)ccc1Oc1ccccc1)C1CC1 9313622 SLKMOFBMAORLKO-HXUWFJFHSA-N 369.852 4.353 30 40 FIEB COc1ccccc1CNc1nc(SC)nc(-c2ccccc2)c1C#N 19820784 RHJMQTSUKUTRCI-UHFFFAOYSA-N 362.458 4.358 30 40 FIEB C[C@H](NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)C1CCC(F)(F)CC1 594247991 IUECPMYGAFLCSG-SCLBCKFNSA-N 361.436 4.449 30 40 FIEB CCOC(=O)c1sc(N)c(C#N)c1COc1cccc(Cl)c1Cl 14095435 CFDMCYMVSHYTLN-UHFFFAOYSA-N 371.245 4.264 30 40 FIEB CC(=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(=O)[C@@H]32)C1 2563626 JAZBMNIJZWDVQJ-BLDHYFSKSA-N 372.505 4.265 30 40 FIEB biogenic N#Cc1ccccc1CN1CCC(c2nnc(-c3ccco3)s2)CC1 75149303 XTSIQDYDHBSBAD-UHFFFAOYSA-N 350.447 4.049 30 40 FIEB O=C(C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCC2)c1ccc(F)cc1 1246121 BLMFMBWMBXTHCJ-UHFFFAOYSA-N 355.820 4.064 30 40 FIEB Cc1ccc(/N=C(/NC(=O)c2ccccc2)Nc2nc(C)cc(C)n2)c(C)c1 2270273 QBWAJGUSEYPVLB-UHFFFAOYSA-N 373.460 4.240 30 40 FIEB C=CCn1c(COc2ccc(CC)cc2)nnc1S[C@H]1CCCCC1=O 3263054 RWTTZZMUSXZWCH-SFHVURJKSA-N 371.506 4.209 30 40 FIEB Cc1ccc2c(=O)cc(C(=O)Nc3sc4c(c3C#N)CCCC4)oc2c1 5345566 NQQRPIAGYSGRNP-UHFFFAOYSA-N 364.426 4.166 30 40 FIEB Cn1cccc1/C=C1/S/C(=N\c2ccc(Cl)c(Cl)c2)NC1=O 5376817 TZPYNOBVLFDQQW-MDWZMJQESA-N 352.246 4.224 30 40 FIEB COc1ccc(/C=N/NCc2ccc(Cl)cc2)cc1Br 10118702 ROQTWTJACDQTLG-VXLYETTFSA-N 353.647 4.235 30 40 FIEB N#Cc1c(CSc2nnc3c(Cl)cc(Cl)cn23)cn2ccccc12 10202560 DWUJEMLNNOQWJS-UHFFFAOYSA-N 374.256 4.453 30 40 FIEB COc1ccc(/C=N/N=c2/[nH]c(-c3ccc(C)cc3)cs2)c(OC)c1 11991726 JNCNQTBYNAHVQC-RGVLZGJSSA-N 353.447 4.004 30 40 FIEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C)s1 19806051 RYSOJVGHRHLEKY-GOSISDBHSA-N 359.491 4.224 30 40 FIEB COC(=O)c1ccc(/C=C/C(=O)c2ccc3c(c2)OCC(C)(C)CO3)cc1 225372074 WHCJFINIUWPTBJ-UXBLZVDNSA-N 366.413 4.167 30 40 FIEB CCOc1ccc(/C=N/n2c(S)nnc2-c2ccc(Cl)cc2)cc1 1478066 CJJXUEGDBWHUQU-YBFXNURJSA-N 358.854 4.168 30 40 FIEB CC[C@@H](C)c1ccc(O)c(/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)c1 3044496 OJTCACJXAPKWJW-SVXRXWARSA-N 359.338 4.178 30 40 FIEB CCOC(=O)C[P+](Cc1ccc(C(=O)OC)cc1)(C(C)C)C(C)C 4013760 UGXCJYOAQAMRQF-UHFFFAOYSA-N 353.419 4.371 30 40 FIEB CCN1C(=O)/C(=C\c2cccc(OC)c2O)S/C1=N/c1ccccc1 4680473 ZZQOFIJMVUAJMD-ZIWPDZPSSA-N 354.431 4.025 30 40 FIEB COc1ccc(/C(C)=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 5370557 NLYMEKUJSZKAGI-KEBDBYFISA-N 353.300 4.458 30 40 FIEB O=C(O)COc1ccc(/C=C/C(=O)c2cccc(C(F)(F)F)c2)cc1 6251106 FOQYGUONWULVMU-RMKNXTFCSA-N 350.292 4.065 30 40 FIEB COc1ccc(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)cc1 9134672 BALHWVRDDRWEEL-UHFFFAOYSA-N 373.456 4.215 30 40 FIEB C=CCN(Cc1cccs1)Cc1cc(=O)oc2cc(O)c(CC)cc12 57763542 NNQZTHIEPDPTFW-UHFFFAOYSA-N 355.459 4.311 30 40 FIEB N/C(=N/OCc1cccc2ccccc12)c1ccnc(N2CCCCC2)c1 58499144 JEAJJZYTFPZTHG-UHFFFAOYSA-N 360.461 4.062 30 40 FIEB CC(=O)O[C@H]1C[C@H]2[C@@H]3CC[C@H](C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 80122403 SUCNAJORKZIPDF-XBQYODRVSA-N 372.505 4.265 30 40 FIEB CC(C)(C#N)C(=O)Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1 89620836 UKWWJQBTWBCXBE-UHFFFAOYSA-N 355.143 4.423 30 40 FIEB CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2ccc(C(C)C)cc2)C1=O 98050542 CIHWLPABWSHCMH-NRFANRHFSA-N 373.497 4.126 30 40 FIEB CCOC(=O)c1nc(C#N)c2cccc(Oc3ccc(Cl)cc3)c2c1O 223981465 ZKGWLOQMZOXQDF-UHFFFAOYSA-N 368.776 4.434 30 40 FIEB CCc1nnc(S)n1/N=C/c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C 408848287 SWPGFEDEQAHWBS-KEBDBYFISA-N 373.913 4.381 30 40 FIEB CCOc1cc(/C=C2\SC(=Nc3ccccc3F)NC2=O)ccc1OC 408860755 DKUFXLOAFJFUDK-BOPFTXTBSA-N 372.421 4.125 30 40 FIEB C=CCn1nnc(NCc2ccc(-c3ccc(Cl)cc3Cl)o2)n1 32617074 JPJUKTJQNPYYTQ-UHFFFAOYSA-N 350.209 4.038 30 40 FIEB N#Cc1ccc(OCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 6258387 BZUQPEZXMJTXCZ-UHFFFAOYSA-N 369.833 4.353 30 40 FIEB CCc1ccc2nc(SCC(=O)NC3CCCCC3)c(C#N)cc2c1 57653844 FAOWQUHCMNPUIW-UHFFFAOYSA-N 353.491 4.210 30 40 FIEB CCCOc1ccc(/C=N\OCC(=O)Nc2cccc(C)c2)cc1OCC 107906909 XYGOYZCQWRLICP-HMAPJEAMSA-N 370.449 4.172 30 40 FIEB C[C@@H](NCc1cn(CCC#N)nc1-c1cccc(Cl)c1)c1cccnc1 12544017 UADWEEBBKWBYIP-OAHLLOKOSA-N 365.868 4.363 30 40 FIEB O/C(CN1CCC[C@H]1c1ccc2c(c1)OCCCO2)=N\c1ccccc1F 82098447 FDXLGBHZKLAXOF-SFHVURJKSA-N 370.424 4.412 30 40 FIEB C#CCn1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)c2ccccc21 408900431 YKFOKPXKHBJZDL-UHFFFAOYSA-N 371.436 4.403 30 40 FIEB CCCCCOc1ccc(CN2C(=O)/C(=N\O)c3c(C)cccc32)cc1 46085139 XWCBQNADYKMBRD-XDOYNYLZSA-N 352.434 4.289 30 40 FIEB C=CCOc1cccc(NC(=S)NCCSCc2ccccc2)c1 225291330 FDFSUBMYGSODBS-UHFFFAOYSA-N 358.532 4.471 30 40 FIEB O=C1N/C(=N/c2ccccc2)S/C1=C\c1cccc(Br)c1 3108808 LGQPSEWHQMLOKP-UVTDQMKNSA-N 359.248 4.341 30 40 FIEB Cc1sc(NC(=S)NC(=O)c2ccc(C(C)C)cc2)c(C#N)c1C 14257829 GNRGESTXWDLOIV-UHFFFAOYSA-N 357.504 4.487 30 40 FIEB N#Cc1ccc(-c2csc(NC(=O)c3cc(=O)c4ccccc4o3)n2)cc1 4077628 XDWZNLMNJRGKFF-UHFFFAOYSA-N 373.393 4.040 30 40 FIEB C=CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccco1 2384419 IJWQTCHWJWIFHU-UHFFFAOYSA-N 359.838 4.353 30 40 FIEB O=C(/N=C1/N=C2C=CC(Cl)=CN2Cc2ccccc21)c1cccs1 3218774 JODBYNRHXKIANW-HEHNFIMWSA-N 353.834 4.199 30 40 FIEB CSc1nc2n(n1)[C@@H](c1ccc(C(C)C)cc1)C1=C(CCCC1=O)N2 4436072 YZJTUCUXIYVORN-KRWDZBQOSA-N 354.479 4.145 30 40 FIEB COc1cccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c1OC 4479348 BHSWSGANBCMSGT-LLVKDONJSA-N 356.447 4.014 30 40 FIEB N#C/C(=N/Nc1ccccc1)c1nc(-c2cc3ccccc3oc2=O)cs1 4793752 GCXLFPXYCJCJSR-JLPGSUDCSA-N 372.409 4.256 30 40 FIEB N#Cc1ccc(NC(=O)CSc2ccc3c(c2)OCCCO3)cc1Cl 5365687 CGVQUFRGRHABRB-UHFFFAOYSA-N 374.849 4.104 30 40 FIEB C/C(=N\OCC(=O)N[C@H]1CCCc2ccccc21)c1cc2ccccc2o1 6513133 UFBFDECSABKXGW-WWJLXRQJSA-N 362.429 4.367 30 40 FIEB Cc1csc([C@@H](C#N)C(=O)COC(=O)c2c(C)c(C)c(C)c(C)c2C)n1 8395166 HMNVIQLPXWPDSZ-INIZCTEOSA-N 370.474 4.027 30 40 FIEB Cc1cc(-c2cc(C)c(OC[C@H]3CO3)c(C)c2)cc(C)c1OC[C@@H]1CO1 83406938 HRSLYNJTMYIRHM-BGYRXZFFSA-N 354.446 4.142 30 40 FIEB O=c1c2ccccc2nc(N/N=C/c2ccc(Cl)o2)n1-c1ccccc1 95116807 YBXVWXSJHCERRY-CIAFOILYSA-N 364.792 4.078 30 40 FIEB COC1(OC)CCC2=C(CC[C@@H]3C2=CC[C@@]2(C)[C@@H]3CC[C@@]2(O)CC#N)C1 96031476 PRRQICJYXLKNOT-MXEMCNAFSA-N 357.494 4.257 30 40 FIEB in-vitro CC1(c2cccc(Br)c2)CCN(C[C@@H](C#N)CCC#N)CC1 509049793 TVHONJWNUFUQNW-OAHLLOKOSA-N 360.299 4.246 30 40 FIEB C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3cc(C)ccn3)c2C)C1=O 981733 OULRVVBQCWSYLM-LFIBNONCSA-N 353.447 4.020 30 40 FIEB CN(C)c1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 5328489 DLEOJXTTZCWFFC-KEBDBYFISA-N 352.316 4.126 30 40 FIEB CCOC(=O)/C(=C/c1ccc(Br)cc1)C(=O)c1ccccc1 5722790 FHSNNNLJURRKLP-FOWTUZBSSA-N 359.219 4.279 30 40 FIEB C=CCOc1ccccc1/C=C1\SC(=S)N(Cc2ccco2)C1=O 12377735 CSHKTKYOZDXBNG-WJDWOHSUSA-N 357.456 4.246 30 40 FIEB Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccsc1)C1=C(CCCC1=O)N2 13124404 YOZOMFIRZONDDD-GOSISDBHSA-N 362.458 4.202 30 40 FIEB CN(C)c1ccc(/N=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 16186427 OLAXNRMGEXBDBF-GYHWCHFESA-N 368.440 4.276 30 40 FIEB O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc2ncsc2c1 32905223 PNJCFPABCQLFMU-UHFFFAOYSA-N 355.422 4.343 30 40 FIEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N(C)Cc1c(F)cccc1Cl 48248462 RTMOQKCHEOTMIJ-UHFFFAOYSA-N 371.799 4.315 30 40 FIEB CC1=NN(c2ccccc2)C(=O)[C@@H]1[C@@H](c1ccc(Cl)cc1)C(C#N)C#N 101512485 WJSYTJVVSMPQNC-OALUTQOASA-N 362.820 4.126 30 40 FIEB CCc1nnc(S)n1/N=C/c1cn(Cc2ccccc2)c2ccccc12 408858284 RKYQEALDTKRVAS-CIAFOILYSA-N 361.474 4.014 30 40 FIEB N#Cc1ccccc1NC(=O)CNc1ccc(Cl)c(C(F)(F)F)c1 3413265 DABGHGJLVZKYCJ-UHFFFAOYSA-N 353.731 4.281 30 40 FIEB COc1ccccc1-c1cc(C(=O)Nc2sc3c(c2C#N)CCC3)no1 4880863 PHUULEWACYAQCG-UHFFFAOYSA-N 365.414 4.024 30 40 FIEB N#Cc1c(NC(=O)CSc2ccc3ccccc3n2)sc2c1CCC2 8193777 GQILEUSUCHGTAK-UHFFFAOYSA-N 365.483 4.387 30 40 FIEB CCn1cc(/C=C2/Oc3c(ccc(OCC#N)c3C)C2=O)c2ccccc21 8993155 FJABGBYUNFJMIH-UDWIEESQSA-N 358.397 4.488 30 40 FIEB N#Cc1c(N)nc2c(c(-c3ccc(Cl)cc3)nn2-c2ccccc2)c1C#N 31772298 HGJUFGNYNNAFMG-UHFFFAOYSA-N 370.803 4.066 30 40 FIEB Cc1cccc2c1N(Cc1ccc(OCCC(C)C)cc1)C(=O)/C2=N\O 101101725 FDBKRBZECPGCEB-QOCHGBHMSA-N 352.434 4.145 30 40 FIEB C=CCSc1nnc(NC(=O)[C@@H](C)SCc2ccccc2)s1 223124411 BEGCBJCUTSNZEE-LLVKDONJSA-N 351.522 4.077 30 40 FIEB C#CCOc1c(Cl)cc(CNc2cccc(C(=O)O)c2)cc1OCC 408602575 AACUUTFTSBBCLN-UHFFFAOYSA-N 359.809 4.061 30 40 FIEB Cc1ccc2[nH]c3c(c2c1)CC/C(=C\c1cnc2c(c1)c(C)nn2C)C3=O 585079750 GCUYASSAOVTZJS-OQLLNIDSSA-N 356.429 4.279 30 40 FIEB CCCOc1ccc(/C=N\n2c(-c3ccc(OC)cc3)n[nH]c2=S)cc1 1819203 IJQANIXFLNGWBH-MOSHPQCFSA-N 368.462 4.287 30 40 FIEB Oc1cc(Br)c(/N=C/c2ccccc2O)c(Br)c1 6528538 VDALCWIVMUDLPB-FRKPEAEDSA-N 371.028 4.373 30 40 FIEB C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCc2ccccc21 8156478 ICXKSCVBUSHIEX-CQSZACIVSA-N 365.502 4.278 30 40 FIEB O=C1N/C(=N\c2ccc(Br)cc2)S/C1=C\c1ccccc1 17282150 YAQCLVXUPAZGJV-UVTDQMKNSA-N 359.248 4.341 30 40 FIEB N#C[C@H]1C(=O)Nc2nc3ccccc3n2[C@@H]1c1ccc(Cl)cc1Cl 20637922 XMLITCKZAZIILF-IAQYHMDHSA-N 357.200 4.024 30 40 FIEB COc1ccccc1CN/N=C/c1cc(Cl)c(OC(C)C)c(OC)c1 20763025 MEZQOAUATCRAAU-SRZZPIQSSA-N 362.857 4.268 30 40 FIEB N#Cc1c(F)cccc1N1CCC([C@H]2CCCCCN2C(=O)C2CC2)CC1 71890484 QCWZHMSBZHJVRG-HXUWFJFHSA-N 369.484 4.095 30 40 FIEB O=C(O)c1cccc(/N=C/c2cc(Br)c(N3CCCC3)o2)c1 408850874 FDWZHIBTENZVRU-VCHYOVAHSA-N 363.211 4.091 30 40 FIEB N#CCOc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 409359945 NPVIUEBUURPVAB-LFIBNONCSA-N 370.817 4.483 30 40 FIEB CN(C)CC/C(=N\Nc1c(F)c(F)c(F)c(F)c1F)c1ccccc1 5888813 SRFJSLGPYUBXOR-FOKLQQMPSA-N 357.326 4.150 30 40 FIEB CCCCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ncnn32)cc1 6656668 UGASFYDJQTYDKA-IBGZPJMESA-N 366.465 4.115 30 40 FIEB COc1ccc2cc(CSc3[nH]c(=O)cc(C)c3C#N)c(Cl)nc2c1 7985204 VSOUGGXNLHJHOP-UHFFFAOYSA-N 371.849 4.058 30 40 FIEB CN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc(C#N)cc1F 8944785 WKNRCILEQQLKOA-UHFFFAOYSA-N 366.223 4.075 30 40 FIEB C=CCNc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(Cl)cc1 12419499 KTWLCMHTGZLFAJ-UHFFFAOYSA-N 364.810 4.019 30 40 FIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCc4ccc(F)cc4)[C@H]3C[C@H]12 12660026 LRVWHXPTQLKMLD-AIYVTKCESA-N 357.469 4.230 30 40 FIEB biogenic COc1ccc(C(=O)/C=C/c2ccccc2OC(F)(F)F)cc1OC 23078177 NMMIIUUBJFWFHW-VQHVLOKHSA-N 352.308 4.499 30 40 FIEB CC/N=C1/S/C(=C/c2ccc(-c3ccc(C(C)=O)cc3)o2)C(=O)N1CC 408929839 OTHVEISBPCZGRO-LLPDMMGZSA-N 368.458 4.461 30 40 FIEB CC/C(=N/NS(=O)(=O)c1ccc(C)cc1)c1ccc(C(C)(C)C)cc1 5640232 QRKHTQZVNATGDU-VZCXRCSSSA-N 358.507 4.385 30 40 FIEB C=C(C)CSc1nnc2nc3c(c(O)n12)[C@](C)(CC)Cc1ccccc1-3 5675668 BVFJCNDDMIBGDU-HXUWFJFHSA-N 366.490 4.389 30 40 FIEB C=CCn1c(=O)c(C(=O)Nc2ccc(C(C)C)cc2)c(O)c2ccccc21 12414645 SLCFDPOXWKBQQA-UHFFFAOYSA-N 362.429 4.269 30 40 FIEB CCc1ccnc(/N=C2\N/C(=N\c3cc(CC)ccn3)c3ccccc32)c1 18060587 GOMSPZPCWXQBDO-UHFFFAOYSA-N 355.445 4.361 30 40 FIEB CC(C)(C)c1ccc(OCCN2C(=O)/C(=N\O)c3ccc(Cl)cc32)cc1 46084653 KSSZBEHIEWHITN-PYCFMQQDSA-N 372.852 4.241 30 40 FIEB O=C1/C(=N\O)c2cc(Cl)ccc2N1Cc1cccc(C(F)(F)F)c1 100467812 PMRVYJJTBWWPCD-STZFKDTASA-N 354.715 4.084 30 40 FIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2)cc1 102539735 DRVZTMCKEHSGAR-YDJIHCHBSA-N 373.408 4.210 30 40 FIEB C/C(CCS(=O)(=O)c1ccccc1)=N/OCc1ccc(Cl)cc1 4059975 GOWALOYEJIIPIH-RGEXLXHISA-N 351.855 4.097 30 40 FIEB Cc1ccccc1NC(=O)COc1c(Cl)cc(/C=N\O)cc1Cl 8571329 UXLZZGSOUFDIHI-UWVJOHFNSA-N 353.205 4.127 30 40 FIEB CC(=O)[C@@H]1[C@H](c2cccc(Cl)c2)C(C#N)(C#N)[C@@H]2C=Cc3ccccc3N12 16037962 QEPNCFQURFZJLJ-PCCBWWKXSA-N 373.843 4.330 30 40 FIEB C=C(/C=C\C(=C/C)N1N=C(C)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C1=O)CC 100942094 CCCIIEXMFULZOI-BQZADCOWSA-N 367.405 4.328 30 40 FIEB C=CCOc1ccc(NC(=S)N[C@@H](C)COc2ccccc2C)cc1 225638011 RSPSVFMLKUVRLT-INIZCTEOSA-N 356.491 4.314 30 40 FIEB CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@H]4[C@@H]3CC[C@@]21C 253617984 IIVBFTNIGYRNQY-FMIOCKMGSA-N 370.489 4.185 30 40 FIEB CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Cl)c1O 408932141 UOMQQVQAGFVMJQ-FYJGNVAPSA-N 360.841 4.032 30 40 FIEB Cc1cccc2cc(C#N)c(SCC(=O)Nc3ccccc3F)nc12 872638 UJKMSXGSBVJBGO-UHFFFAOYSA-N 351.406 4.285 30 40 FIEB CC(=O)Oc1ccc([C@@H](C#N)c2ncc(C(F)(F)F)cc2Cl)cc1 1385859 SMBFFRWTESJBMQ-CYBMUJFWSA-N 354.715 4.335 30 40 FIEB O=C1NC(c2ccccc2)=C(C(=O)c2ccccc2)[C@@H](c2ccccc2)N1 1506900 KOBQZTXEIHUDQO-HXUWFJFHSA-N 354.409 4.335 30 40 FIEB COC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(C(C)C)cc1)C2=O 2107152 SIKIPCLWDIIQAH-GNKPEBMXSA-N 366.413 4.367 30 40 FIEB biogenic C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)C(C)(C)C 2453094 IQRZDQIKRLLIOI-UHFFFAOYSA-N 359.495 4.059 30 40 FIEB O=C(Oc1ccc(/C=N/c2ccc(F)c(F)c2F)cc1)c1cccnc1 3233339 IUXCWIZCRQYHAO-YSURURNPSA-N 356.303 4.469 30 40 FIEB S=C(NCc1ccccc1)N/N=C/c1cccc(Oc2ccccc2)c1 3286926 YQPCHASEARRAST-XQNSMLJCSA-N 361.470 4.477 30 40 FIEB C=CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C)cc1 4066175 QSUHGKQRKSOQAI-FQEVSTJZSA-N 365.473 4.328 30 40 FIEB O=[N+]([O-])c1c(C(F)(F)C(F)(F)C(F)(F)F)n[nH]c1-c1ccccc1 4348155 JKCLYIWIZDCWRS-UHFFFAOYSA-N 357.185 4.274 30 40 FIEB CC(=O)C1=C(O)C(=O)N(C23CC4CC(CC(C4)C2)C3)[C@H]1c1ccc(C)cc1 4386773 HHOMBASTUISHBT-SXYIGIQMSA-N 365.473 4.248 30 40 FIEB CCCC[C@@H]1S/C(=N/N=C/c2ccco2)N(Cc2ccc(F)cc2)C1=O 5092902 IDNWSNCVPCUSGH-AUECTMLASA-N 373.453 4.443 30 40 FIEB COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Br)c1O 5128600 CXRVCTOVVVKDCZ-FARCUNLSSA-N 351.171 4.199 30 40 FIEB CCOc1cc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1O 5336116 ZEIJHSOLKVZXNX-AWQFTUOYSA-N 369.299 4.164 30 40 FIEB Clc1cc2c(cc1/C=N/NCc1c(Cl)cccc1Cl)OCO2 9196201 GLFMPJLKYDVDME-KPSZGOFPSA-N 357.624 4.499 30 40 FIEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccccc1Cl 19814974 MOYSTPSAFJXDNA-KRWDZBQOSA-N 365.816 4.081 30 40 FIEB CC(=O)COc1ccc2c(c1C)O/C(=C\c1cn(C)c3ccccc13)C2=O 28182523 CLDIFSXWWHLIBV-JMIUGGIZSA-N 361.397 4.071 30 40 FIEB N#C[C@H](Cc1ccc(F)cc1F)OC(=O)c1csc(-c2ccccc2)n1 96013310 IJLFPPRGUXDYGK-HNNXBMFYSA-N 370.380 4.380 30 40 FIEB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/Nc2ccccc2)c1C 408587256 FAKJWJBKOIKJDA-FYJGNVAPSA-N 364.405 4.457 30 40 FIEB Cc1ccc(NC(=O)COc2ccc(/C=N\O)cc2Cl)cc1Cl 409252805 DXJBEEGERPPHBE-UWVJOHFNSA-N 353.205 4.127 30 40 FIEB Cc1cc(C)c(O)c(/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)c1 3032494 QFRSUGZWYWAEHQ-REZTVBANSA-N 365.183 4.136 30 40 FIEB C=CCSc1nc2sc3c(c2c(=O)n1CC=C)C[C@H](C(C)C)OC3 4857759 NMSUPBGQPYEVRN-CYBMUJFWSA-N 362.520 4.019 30 40 FIEB COc1cc(/C=C/c2nc3ccc([N+](=O)[O-])cc3s2)ccc1OCC#N 5130258 YBXWWBCODMFGJL-XVNBXDOJSA-N 367.386 4.286 30 40 FIEB COc1cc(/C=N/N=c2/[nH]c(-c3ccc(Cl)cc3)cs2)ccc1O 20228523 SZAIEINSZIZNEP-DJKKODMXSA-N 359.838 4.046 30 40 FIEB C=CCN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(SC)cc1 224976733 ROKJDKBOLMAGGN-UHFFFAOYSA-N 363.504 4.189 30 40 FIEB CN(C)c1ccc(/N=C\c2cc(Br)c(N3CCCC3)o2)cc1 408847692 OAJMJFHIXLMMQZ-UNOMPAQXSA-N 362.271 4.459 30 40 FIEB C=CCN1C(=O)N/C(=C/c2cc(C)n(-c3cc(Cl)ccc3C)c2C)C1=O 409129703 WAXNGRLGMHDPMP-LICLKQGHSA-N 369.852 4.135 30 40 FIEB C=CCn1c(C)c(Cc2ccc(Cl)cc2)c(=O)n2c3ccccc3nc12 9262064 BFQFFTMMEUNDJD-UHFFFAOYSA-N 363.848 4.388 30 40 FIEB C=CCn1c(N)c(C(=O)OCCCCCC)c2nc3ccccc3nc21 2264930 QSJUKIXLLOTMJU-UHFFFAOYSA-N 352.438 4.090 30 40 FIEB Cc1ccc(CN(C)CCC(=O)Nc2sc3c(c2C#N)CCC3)c(C)c1 12737220 JJEHKEPLCRYPGV-UHFFFAOYSA-N 367.518 4.186 30 40 FIEB CCCCCCCCNC(=O)C(=O)Nc1ccc(C)cc1Br 408709127 OVHXFVAIJBHZTQ-UHFFFAOYSA-N 369.303 4.173 30 40 FIEB CCCC/C(=N\NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 4498931 GKNDZIVJTDZDAQ-HTXNQAPBSA-N 350.871 4.213 30 40 FIEB Cc1cc(OCc2nc(C#N)c(NCc3cccnc3)o2)ccc1Cl 6719068 CNQUADCLFAWIJR-UHFFFAOYSA-N 354.797 4.094 30 40 FIEB CCN1C(=O)/C(=C/c2ccc(F)cc2)S/C1=N/c1ccc(OC)cc1 97466947 ZPCASMUDJQCSBR-HATACVMWSA-N 356.422 4.458 30 40 FIEB COc1cc(/C=C2\Sc3ccccc3C2=O)ccc1OC[C@@H](C)C(=O)O 408842309 KECUCCFXSNCIFT-HIPMGEKLSA-N 370.426 4.124 30 40 FIEB CC(C)(C)c1ccc(OCCN2C(=O)/C(=N\O)c3cc(Cl)ccc32)cc1 39854137 RVVLBYAFLZOJDH-PYCFMQQDSA-N 372.852 4.241 30 40 FIEB CC1=C[C@H](OC(=O)c2ccccc2)[C@H](C(C)C)[C@H](O)C[C@@]2(C)O[C@@H]2CC1 1543357006 LJBSCFGBDJEORR-AIYVTKCESA-N 358.478 4.133 30 40 FIEB C=CCNC(=O)c1ccccc1NC(=O)CCCOc1ccc(Cl)cc1 14396287 BEPQMKZTCSVYSI-UHFFFAOYSA-N 372.852 4.054 30 40 FIEB Cc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCC[C@H](C)C3)C2=O)o1 5338792 XDIFVRQXTINFOC-GJUHEBOISA-N 353.418 4.142 30 40 FIEB biogenic N#Cc1ccc(N2CCC[C@H]2c2nc3ccccc3s2)c([N+](=O)[O-])c1 20667851 UMFNFKKNSOCQEE-HNNXBMFYSA-N 350.403 4.418 30 40 FIEB COc1ccc(N/C=C(/C(=O)c2ccc(C)cc2)C(=O)C(F)(F)F)cc1 100862419 KZZHFOOMUYWMGN-WJDWOHSUSA-N 363.335 4.314 30 40 FIEB Cc1nn(-c2ccccc2)c(Cl)c1/C=N\Nc1ccc([N+](=O)[O-])cc1 4576818 HGVCIHHYIXDSOK-ODLFYWEKSA-N 355.785 4.188 30 40 FIEB CCOC(=O)/C(=C\c1ccc(Br)cc1)C(=O)c1ccccc1 8653238 FHSNNNLJURRKLP-VBKFSLOCSA-N 359.219 4.279 30 40 FIEB Cc1cc(CSc2nc(C)c(C(=O)Nc3ccccc3)cc2C#N)no1 8754525 PKBPCHGAGXWIQV-UHFFFAOYSA-N 364.430 4.103 30 40 FIEB C=CCn1c(-c2ccccc2)cs/c1=N\Nc1ccc([N+](=O)[O-])cc1 12559529 ICRWJXKZXUJSEA-ZZEZOPTASA-N 352.419 4.239 30 40 FIEB O=[N+]([O-])c1ccc(Cl)c(/C=N\n2c(C3CCCCC3)n[nH]c2=S)c1 15987990 NBBDKPIFSBNFRC-MFOYZWKCSA-N 365.846 4.432 30 40 FIEB CCn1ccnc1[C@H]1CCCCN1/C(O)=N/CC(C)(C)c1cccs1 330267915 IIYAAVWANQXFIQ-OAHLLOKOSA-N 360.527 4.383 30 40 FIEB Cc1ccc(CN2CCC[C@@H]2c2cccc(Nc3ccc(C#N)nc3)n2)cn1 585294041 MXKDJEKHWBZOPG-OAQYLSRUSA-N 370.460 4.132 30 40 FIEB COc1cc([C@@H]2C[C@]2(C#N)c2nc3ccccc3[nH]2)ccc1OC(F)F 1457668 QQSBGNCJOHEWKG-HXPMCKFVSA-N 355.344 4.122 30 40 FIEB N#Cc1ccc(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1 2639923 YMZDBQHIIKLIGV-NRFANRHFSA-N 369.424 4.058 30 40 FIEB CCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(OC)c(OC)c3)S2)cc1 5376473 HDGLZGHZVQNHKG-PDGQHHTCSA-N 368.458 4.158 30 40 FIEB O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccccc1)c1ccccc1 6813933 WKRAEXNKIUNLTR-LJQANCHMSA-N 359.381 4.058 30 40 FIEB N#Cc1ccc2[nH]c([C@H]3CCN(Cc4ccc(C(F)(F)F)cc4)C3)nc2c1 35446867 CYTQXYLHLAYSKD-HNNXBMFYSA-N 370.378 4.443 30 40 FIEB biogenic,in-vitro COc1cc(/C=N/O)cc(Br)c1OCc1cc(C)cc(C)c1 408937704 JNCJNDSKXKSPHY-DJKKODMXSA-N 364.239 4.462 30 40 FIEB N#Cc1nc([C@@H]2C[C@@H]2c2ccc(F)cc2)oc1NCCOc1ccccc1 1775977520 ZHSXSGVEVGXMFD-QZTJIDSGSA-N 363.392 4.447 30 40 FIEB Cc1cccn2c(=O)c(/C=N/c3ccccc3)c(Nc3ccccc3)nc12 1469987 LNLUODVEBDXCRA-HZHRSRAPSA-N 354.413 4.497 30 40 FIEB O/N=C(/NCc1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl 4073411 UHSRJHSVOYMATK-UHFFFAOYSA-N 364.154 4.333 30 40 FIEB O=[N+]([O-])c1cc(Br)c(O)c(/C=N/c2ccc3ncccc3c2)c1 4817180 XLKMITSXHKQGJF-DJKKODMXSA-N 372.178 4.362 30 40 FIEB N#CCCCN(/N=N/c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 5171670 RKACDZJGVYAMQS-VHEBQXMUSA-N 354.326 4.312 30 40 FIEB CC(C)c1nc(C#N)c(N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)o1 6633904 RRVWNFSZXHVXHT-KEBDBYFISA-N 365.349 4.284 30 40 FIEB CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1F 6783134 ODBTTWYAUXKINN-SFHVURJKSA-N 353.393 4.204 30 40 FIEB C/N=c1\scc(-c2cccc(Br)c2)n1/N=C/c1ccccc1 12602546 OHAQNVHEQQZMAY-MXPDZRDSSA-N 372.291 4.392 30 40 FIEB C=CC(=O)N1C/C(=C/c2ccc(F)cc2)C(=O)/C(=C\c2ccc(F)cc2)C1 16958929 JTMAQMMHQYJZRV-WHYMJUELSA-N 365.379 4.029 30 40 FIEB O=C1/C(=C\c2ccc3c(c2)OCO3)CCC/C1=C\c1ccc2c(c1)OCO2 18166013 FSKXKUGPSKOGHB-VAQFQWRASA-N 362.381 4.364 30 40 FIEB CC/C=C\CC1=C(CCCC[C@H](CCC(=O)O)OC(C)=O)CCC1=O 31163946 QWDCJWDUPSTHHK-VGOKWCNXSA-N 350.455 4.359 30 40 FIEB biogenic,in-vitro C#CCOc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2cccc(OC)c2)cc1 36354833 MZYGKDUQCMVRNZ-IBGZPJMESA-N 373.412 4.017 30 40 FIEB CN(Cc1ccc(Cl)s1)C(=O)CSCc1ccc(C#N)cc1 47746945 CDEPVJDMNWGSOG-UHFFFAOYSA-N 350.896 4.165 30 40 FIEB N#Cc1nc([C@@H]2C[C@@H]2c2ccccc2)oc1N1CCN(c2ccccc2)CC1 96346648 UQVAUVPNCAHIOZ-WOJBJXKFSA-N 370.456 4.144 30 40 FIEB C=C(C)COc1cccc(C(=O)Nc2ccc(Cl)c(C(=O)OC)c2)c1 219782964 XMYMGLWMRHIJEE-UHFFFAOYSA-N 359.809 4.334 30 40 FIEB C=CCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224743599 HYOZDDGBZVPUFK-UHFFFAOYSA-N 360.435 4.100 30 40 FIEB C#CCOC(=O)/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 226334865 ZFNJGSKMKRKMEO-UXBLZVDNSA-N 371.776 4.017 30 40 FIEB C=CCOc1ccc(/C=C2/C(=O)N(c3ccc(C)cc3)N=C2C)cc1OC 4309455 CEIQEBQHGTWLAC-CPNJWEJPSA-N 362.429 4.375 30 40 FIEB COC(=O)c1sc(NC(=O)c2ccc(Cl)cc2Cl)c(C#N)c1C 4537752 QGRLNCPQLIUOMP-UHFFFAOYSA-N 369.229 4.274 30 40 FIEB O=[N+]([O-])c1ccc(N/N=C(\c2ccccc2)c2ccsc2)c([N+](=O)[O-])c1 5541919 VFCDDSWIIMVYFL-HTXNQAPBSA-N 368.374 4.429 30 40 FIEB N#C[C@@H]1C(=O)Nc2nc3ccccc3n2[C@@H]1c1ccc(Cl)c(Cl)c1 20637968 AVTVAJOGOSZAQL-ZUZCIYMTSA-N 357.200 4.024 30 40 FIEB Cc1cc(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)nc(C)n1 24568961 JVVHYVIQZOOWAU-UHFFFAOYSA-N 372.519 4.026 30 40 FIEB Cc1cccc(NC(=O)CSc2nc(-c3ccccc3)nc(C)c2C#N)c1 27789293 BUBUNOAYSVJZBH-UHFFFAOYSA-N 374.469 4.363 30 40 FIEB CCOC(=O)/C(=N\Nc1cccc(C(F)(F)F)c1)N1CCCC[C@@H]1CC 32693706 WGDSJLDVPFIPOG-IXSYQRGLSA-N 371.403 4.258 30 40 FIEB CNc1oc(-c2ccc(COc3ccc(Br)cc3)o2)nc1C#N 33324431 ZQFREMIMCGETKA-UHFFFAOYSA-N 374.194 4.189 30 40 FIEB C#CCOc1ccc([C@H]2CC(O)=Nc3nc(N4CCCCC4)sc32)cc1 36356916 GIBZZMZKVZPBTM-MRXNPFEDSA-N 367.474 4.269 30 40 FIEB C=CCN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccc(OC)c(C)c1 224651535 WZRLNCKXSCZCCZ-UHFFFAOYSA-N 359.491 4.310 30 40 FIEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C[C@]5(C(C)=O)O[C@@H]5[C@@]4(C)CC[C@H]32)C1 253501257 GWZAVXCYXHGFFE-LZYQXXIISA-N 372.505 4.217 30 40 FIEB C#CCOc1ccc2ccccc2c1/C=N/OCc1cccc([N+](=O)[O-])c1 408588056 BEECJBBQXVJBLU-HYARGMPZSA-N 360.369 4.311 30 40 FIEB CC(C)COc1ccc(/C=N\c2sc3c(c2C#N)CCN(C)C3)cc1 408605761 YTKMAESWONRZJI-JJFYIABZSA-N 353.491 4.393 30 40 FIEB CCN1C(=O)/C(=C\c2ccc(OC)cc2OC)S/C1=N/c1ccccc1 4664352 HSEFYPLEQRQIBK-LLPDMMGZSA-N 368.458 4.328 30 40 FIEB Cc1sc2nc(SC[C@@H](C#N)CCC#N)n(C(C)C)c(=O)c2c1C 7204483 NWTMXQRQMJUVEF-CYBMUJFWSA-N 360.508 4.191 30 40 FIEB C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccccc3C)ccc21 8958711 ZRBOMHJMOLYCAV-UHFFFAOYSA-N 364.445 4.185 30 40 FIEB CCc1ccc(O)c(/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)c1 33922843 CFHRCCFDYQCNHW-CAOOACKPSA-N 365.183 4.082 30 40 FIEB C#C[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118915140 GVBHYHFYTCVSPY-LLQANNADSA-N 358.522 4.325 30 40 FIEB CCc1ccccc1/N=C1/NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)S1 5551362 XGUFCMVGFIZMNP-WJDWOHSUSA-N 353.403 4.049 30 40 FIEB Cc1cc(/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)cc(C)c1OC(F)F 7333717 NGKCOVGIRFDRMP-HWKANZROSA-N 373.355 4.132 30 40 FIEB C=CCn1cnn(CN2CCC[C@H](c3nc4ccccc4s3)C2)c1=S 8147084 PLEFROAGJIHUOV-AWEZNQCLSA-N 371.535 4.047 30 40 FIEB Cc1ccc(-n2c(SCC#N)nc3sc4c(c3c2=O)CCC4)cc1C 11308271 BTIIXHWRDRCXLD-UHFFFAOYSA-N 367.499 4.168 30 40 FIEB CCOc1cc(C#N)cc(Cl)c1OC(=O)c1cccc(OC(F)F)c1 23147212 QLMPWRPZXPJVQE-UHFFFAOYSA-N 367.735 4.431 30 40 FIEB C=CCOc1cccc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c1 30940717 OWZTWINCSCBVPJ-GOSISDBHSA-N 368.452 4.241 30 40 FIEB N#Cc1c(F)cccc1NC(=O)c1cccc(-n2nccc2C(F)(F)F)c1 110644966 INUYHVCQKZMYRT-UHFFFAOYSA-N 374.297 4.154 30 40 FIEB CCN(CC)c1ccc(/N=C2/NC(=O)/C(=C\c3ccccc3)S2)cc1 110700848 HGCRGJIUWKDNSP-NBVRZTHBSA-N 351.475 4.424 30 40 FIEB C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(OC)cc1 224853935 PUXREHYDOCWYQA-UHFFFAOYSA-N 371.380 4.095 30 40 FIEB C[C@]12CC[C@@H]3[C@H]([C@@H]4C[C@@H]4C4=CC(=O)CC[C@@]43C)[C@@H]1[C@H]1C[C@H]1[C@]21CCC(=O)O1 253535717 METQSPRSQINEEU-PKASRMMFSA-N 366.501 4.306 30 40 FIEB CC/N=C1\S/C(=C\c2ccc(O[C@H](C)CC)c(OC)c2)C(=O)N1CC 408847409 VDYMRRODNMVBLB-XFVXDUMTSA-N 362.495 4.185 30 40 FIEB CC/N=C1/S/C(=C/c2cc(OCC)c(OC)cc2Cl)C(=O)N1CC 408930667 AKFBFHGDBBDMKH-NGCQHBKASA-N 368.886 4.059 30 40 FIEB COc1ccc(C(=O)Nc2sc3c(c2C#N)C[C@H](C)CC3)c(OC)c1 4070074 QRAMSMNZBSSVQU-LLVKDONJSA-N 356.447 4.014 30 40 FIEB CCc1ccc2nc(SCC(=O)N3CCC[C@@H](C)C3)c(C#N)cc2c1 4848911 XGDQATDHAMKVFY-CQSZACIVSA-N 353.491 4.019 30 40 FIEB Cc1ccc(N(CCC#N)C(=O)CSc2nc3ccc(C)cc3[nH]2)cc1 5927058 ORHCSQPNSFFCRB-UHFFFAOYSA-N 364.474 4.219 30 40 FIEB O=c1c2c(-c3cccs3)csc2ncn1/N=C/c1ccccc1F 6627429 NAZHOEVSMZCETO-DNTJNYDQSA-N 355.419 4.208 30 40 FIEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H]5O[C@@]5([C@@H](C)O)[C@@]4(C)CC[C@@H]32)C1 19897755 MZXOXBBZTDJDKI-INLYNBOJSA-N 374.521 4.009 30 40 FIEB biogenic,in-vitro Cc1cc(C)c(C#N)c(SCc2ccc(C(=O)N3CCCC3)cc2)n1 25701022 CGOAMMWABOODCT-UHFFFAOYSA-N 351.475 4.098 30 40 FIEB N#Cc1cccc(C(=O)Nc2cnn(Cc3ccc(Cl)cc3Cl)c2)c1 32609703 QXDLLJIUCKGULJ-UHFFFAOYSA-N 371.227 4.362 30 40 FIEB C=CCN(CC=C)Cc1nc(-c2ccc(OCc3ccccc3)cc2)no1 57427881 MHOQYVBLZMHXHD-UHFFFAOYSA-N 361.445 4.490 30 40 FIEB O=C1Oc2ccccc2[C@H]1C/C(=N/Nc1ccccc1)c1ccccc1O 104296619 WUJJORNPCJIZED-LTXLMFNASA-N 358.397 4.301 30 40 FIEB C#C[C@]1(O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC45OCCO5)[C@@H]3CC[C@@H]2C1 118915154 VCQVEQNCPAVVLX-DHGBTQKMSA-N 358.522 4.137 30 40 FIEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@@]3(C)[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]23)C1 584577214 HCQZCYKVKKFMMC-NXSAPBGYSA-N 358.478 4.019 30 40 FIEB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4C[C@@]5(C(C)=O)O[C@H]5[C@@]4(C)CC[C@@H]32)C1 1772491572 GWZAVXCYXHGFFE-AYNVCCPXSA-N 372.505 4.217 30 40 FIEB Cc1noc(C)c1-c1cc(N)c2ncn(Cc3ccc([C@@H]4CO4)cc3)c2c1 1772768866 XINQCOMOQIYWTG-IBGZPJMESA-N 360.417 4.010 30 40 FIEB COc1cc(C(=O)/C=C/c2c(C)nn(-c3ccc(F)cc3)c2C)ccc1O 7909575 GQCCVADTFZAZLP-PKNBQFBNSA-N 366.392 4.239 30 40 FIEB C=CCN1C(=O)[C@H](Cc2ccc(C)cc2)S/C1=N/N=C/c1cccs1 7966310 MJQLNFJNHHHFJN-XVEDWSDESA-N 369.515 4.119 30 40 FIEB CCn1cc(/C=C2\Oc3c(ccc(OCC#N)c3C)C2=O)c2ccccc21 28182702 FJABGBYUNFJMIH-NDENLUEZSA-N 358.397 4.488 30 40 FIEB COc1cc(/C=N/O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 103894682 KSFLLRVHKXQDNF-UFWORHAWSA-N 356.256 4.223 30 40 FIEB C#C[C@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](OC(C)=O)[C@@]4(C)CC[C@H]32)C1 253617561 VHAGTEAFULKJNP-LOQXXAFESA-N 358.522 4.325 30 40 FIEB COc1ccc2c(c1)OCc1sc(/N=C/c3ccc([N+](=O)[O-])cc3)nc1-2 408723065 QAIGMAUEPPGREJ-DJKKODMXSA-N 367.386 4.370 30 40 FIEB CCc1nnc(S)n1/N=C/c1ccc(OCC(C)C)c2ccccc12 408876468 PAYUPGQGMGUQFP-RGVLZGJSSA-N 354.479 4.199 30 40 FIEB C=CCOc1ccc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)cc1OCC 2081116 AQCIRPYQBWSSDT-AQTBWJFISA-N 363.413 4.303 30 40 FIEB CCn1nc(C)c(/C=N/NC(=S)Nc2ccc(Cl)cc2Cl)c1C 8686410 CGOZCMXITNVFLP-QGMBQPNBSA-N 370.309 4.147 30 40 FIEB CCOc1cc(/C=N/O)ccc1OCc1ccc(Br)cc1 11888726 FQNVVZVJJFYKNG-VCHYOVAHSA-N 350.212 4.235 30 40 FIEB C/C(=N\OC(=O)c1c(-c2ccccc2Cl)noc1C)c1nccs1 12953453 UIRLSESROFEEJY-DJKKODMXSA-N 361.810 4.341 30 40 FIEB CC(C)(Oc1ccc(Cl)cc1)C(=O)OCc1cn2ccccc2c1C#N 14852154 ITNGEIBWOHORSC-UHFFFAOYSA-N 368.820 4.365 30 40 FIEB CCCc1ccc(-c2c(C)sc(NC(=O)CCC(=O)O)c2C#N)cc1 17073624 OJRLTGFVBJYVOU-UHFFFAOYSA-N 356.447 4.351 30 40 FIEB N#Cc1ccc(NCC2(c3ccc4c(c3)OCO4)CCOCC2)cc1Cl 72097141 JCMNLJFHKUXIJQ-UHFFFAOYSA-N 370.836 4.101 30 40 FIEB COc1ccc(/N=C\c2cccn2-c2cccc(Br)c2)cn1 409017289 FQCWOWPCDMQUSC-UNOMPAQXSA-N 356.223 4.394 30 40 FIEB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccco1 409313911 RDNQEAFHWKZMER-NSHDSACASA-N 374.238 4.148 30 40 FIEB COc1ccc(C(=O)Nc2sc3c(c2C#N)C[C@@H](C)CC3)cc1OC 4069995 IEUBTWWSLGSRPS-NSHDSACASA-N 356.447 4.014 30 40 FIEB N#Cc1ccc(OCC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)cc1 7890500 AOTNXSKAMMKRJH-FQEVSTJZSA-N 366.417 4.043 30 40 FIEB C=C(C)COc1ccc2c(c1)O/C(=C\c1ccc(C(=O)OC)cc1)C2=O 12860345 RFZNMWOKGHKYCQ-GRSHGNNSSA-N 350.370 4.044 30 40 FIEB biogenic CC(C)Cc1ccc(-c2csc(NC(=O)CCC(=O)O)c2C#N)cc1 17073623 DAHXYKJNYWUWSK-UHFFFAOYSA-N 356.447 4.289 30 40 FIEB O=C1N/C(=N\c2ccccc2)S[C@@H]1Cc1cc(Cl)ccc1Cl 17178113 BKXWPKWWNAIQQW-CQSZACIVSA-N 351.258 4.455 30 40 FIEB CC(C)c1c(C#N)c(N)nc2sc(C(=O)c3ccc(Cl)cc3)c(N)c12 19830880 XARSDDSDKDXRAC-UHFFFAOYSA-N 370.865 4.340 30 40 FIEB CCCCCCCCCCCCOC(=O)NC[C@H]1CCS(=O)(=O)C1 59568688 GMBKEAIZBSIRMJ-QGZVFWFLSA-N 361.548 4.068 30 40 FIEB O=c1c(/C=N/C2CC2)c(-c2ccccc2)[nH]n1-c1nc2ccccc2s1 100437549 PBGNEYOLUCXGMF-CIAFOILYSA-N 360.442 4.024 30 40 FIEB N#Cc1c(OCc2ccccc2Cl)nn(Cc2ccc(Cl)cc2)c1N 225840479 MTQCUFUMLOZLOE-UHFFFAOYSA-N 373.243 4.271 30 40 FIEB N#Cc1cn(C(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)c2ccccc12 226361484 ZGTZWMJMUXKRGZ-UHFFFAOYSA-N 360.156 4.416 30 40 FIEB CCc1cccc(F)c1CNC1CCN(Cc2cccc(C#N)c2)CC1 593692995 KZKMFWGPMYGRPD-UHFFFAOYSA-N 351.469 4.014 30 40 FIEB C=CCSc1nnc(COc2ccc(OC)cc2)n1-c1ccccc1F 4246835 XYDXMLCBPUPCHY-UHFFFAOYSA-N 371.437 4.272 30 40 FIEB CCO[C@@H]1Oc2ccc(Cl)cc2C(=O)/C1=C/Nc1ccc(C(C)=O)cc1 16687947 UHDNGZUEAKVLQE-ZZODWALSSA-N 371.820 4.476 30 40 FIEB N#Cc1cccc(C(=O)N(Cc2cccc(Br)c2)C2CC2)c1 32796514 AWQDFRDTNUVDCP-UHFFFAOYSA-N 355.235 4.126 30 40 FIEB CCCCCCCCNC(=O)CSc1nc2cc([N+](=O)[O-])ccc2[nH]1 100944067 NYODHRNRMOCTPW-UHFFFAOYSA-N 364.471 4.040 30 40 FIEB N#Cc1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 214145293 LHRHJENUQJJUFM-CXUHLZMHSA-N 354.818 4.448 30 40 FIEB Cc1ccc(OCc2nc(SCc3ccccc3)nc(N)c2C#N)cc1 223686923 SNHGBOVUCMYQHS-UHFFFAOYSA-N 362.458 4.110 30 40 FIEB C=CCN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224950091 ISKPATBDTMBERL-UHFFFAOYSA-N 372.273 4.383 30 40 FIEB C[C@]12CC[C@@H]3[C@H]([C@@H]4C[C@@H]4C4=CC(=O)CC[C@@]43C)[C@H]1[C@H]1C[C@@H]1[C@@]21CCC(=O)O1 334162313 METQSPRSQINEEU-AVVCRUGYSA-N 366.501 4.306 30 40 FIEB Cc1ccc(Oc2cc(C#N)c(C#N)cc2-n2nnc3ccccc32)cc1 992025 UQLPIXJDDJZINL-UHFFFAOYSA-N 351.369 4.265 30 40 FIEB CCOC(=O)c1sc(NC(=O)/C=C/c2ccc(Cl)cc2)c(C#N)c1C 1965049 SWEZANBINSURMA-RMKNXTFCSA-N 374.849 4.410 30 40 FIEB N#Cc1c(N)n(-c2ccc(C(F)(F)F)cc2)c2nc3ccccc3nc12 2406754 KHFOSJKLPUJMPZ-UHFFFAOYSA-N 353.307 4.046 30 40 FIEB N#Cc1ccccc1COc1c(Cl)cc(C=O)cc1Br 5771230 ARVWVQKTSYPYLC-UHFFFAOYSA-N 350.599 4.366 30 40 FIEB COc1cc(/C=C/C(=O)c2ccc(N3CCCC3)c(F)c2)cc(OC)c1O 7586552 TYMPNXPBLMVIHX-VMPITWQZSA-N 371.408 4.045 30 40 FIEB Cc1ccc(N[C@@H](C)C(=O)Nc2sccc2C#N)cc1C(F)(F)F 8710938 IZIKTDYYGSJNDR-JTQLQIEISA-N 353.369 4.386 30 40 FIEB C=CCN(C(=O)c1ccc(Br)o1)c1nc2ccccc2s1 8734511 DKEHFAKUSWPAAJ-UHFFFAOYSA-N 363.236 4.485 30 40 FIEB CN1C(=O)N[C@H](c2ccc(Cl)cc2Cl)C2=C1CC(C)(C)CC2=O 19799348 APCJTYHCPHLEHF-OAHLLOKOSA-N 353.249 4.333 30 40 FIEB C=CCOc1c(Cl)cc(/C=N\Nc2cccc(C(=O)O)c2)cc1OCC 32706853 LKIQYZGXMMALJV-MTJSOVHGSA-N 374.824 4.448 30 40 FIEB CC1=Nc2ccccc2N/C(=N\C(=O)CN2CCCCC2)[C@@H]1c1ccccc1 50043875 IYGZTCMEQLLOMR-QFIPXVFZSA-N 374.488 4.399 30 40 FIEB Cc1cccc(N/N=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c1C 100355506 RYEBKVOVLASCLA-HAHDFKILSA-N 360.339 4.036 30 40 FIEB CN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 102932980 IIZRIARZNVAOQM-DPEHCCBOSA-N 362.212 4.045 30 40 FIEB C=CCOc1cccc(NS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)c1 223666557 ZFKJBWOMINZQIY-UHFFFAOYSA-N 373.474 4.156 30 40 FIEB COC(C)(C)CCOc1c(N)cc(C#N)n1Cc1cccc2ccccc12 225878389 GKLAFYKFHMBYKJ-UHFFFAOYSA-N 363.461 4.337 30 40 FIEB O=S(=O)(N/N=C/c1c2ccccc2cc2ccccc12)c1ccccc1 1054432 CPLASMWDQKSDRL-PXLXIMEGSA-N 360.438 4.305 30 40 FIEB CC(C)c1ccc([C@@H]2C3=C(N=C4SCC(=O)N42)C(=O)c2ccccc23)cc1 1626632 BNNDSMNCPVZHBW-HXUWFJFHSA-N 374.465 4.404 30 40 FIEB C=CCOc1ccc(/C=C2\SC(=O)N(c3ccc(O)cc3)C2=O)cc1 2211205 YIGMFJQSZMQZCJ-ATVHPVEESA-N 353.399 4.198 30 40 FIEB C=CCn1c(C)cc(C(=O)CSc2nnc(-c3ccccc3)o2)c1C 2617951 UWQDLELBFFHNLZ-UHFFFAOYSA-N 353.447 4.316 30 40 FIEB O=C(N1CCc2ccccc21)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 2729649 IAPOEJGUXXYJDB-UHFFFAOYSA-N 365.195 4.044 30 40 FIEB N#CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCC3 2736378 YPEILDBDPNKOFJ-UHFFFAOYSA-N 367.499 4.001 30 40 FIEB Cc1ccc(C(C)C)c(OCCOc2ccc(/C=N/c3nnc[nH]3)cc2)c1 4599277 DQNXZNZNDUGWOS-LPYMAVHISA-N 364.449 4.445 30 40 FIEB CCOc1ccc(/C=N/Nc2cc(Cl)nc(-c3ccccc3)n2)c(O)c1 4713176 YJCJIQFRCKSKTC-CIAFOILYSA-N 368.824 4.347 30 40 FIEB COC(=O)c1ccc(/C=N/Nc2nc(-c3ccccc3)c(C)s2)cc1 7719315 WPTXUSKDPKNZGM-UDWIEESQSA-N 351.431 4.351 30 40 FIEB C[C@H]1CCC[C@@H](C)N1C[C@@H](O)CON=C1c2ccccc2-c2ccccc21 11612351 IGMGKOIULCISEA-FGTMMUONSA-N 364.489 4.060 30 40 FIEB O=C(/C=C1\N[C@H]2CCCC[C@@H]2N\C1=C/C(=O)c1ccccc1)c1ccccc1 13410480 RRRCNKSFZNYVIJ-JINVSNJPSA-N 372.468 4.024 30 40 FIEB [N-]=[N+]=Nc1nc(N2CCOCC2)nc(N(c2ccccc2)c2ccccc2)n1 15240397 CYPMONNHONCKSL-UHFFFAOYSA-N 374.408 4.120 30 40 FIEB CCOC(=O)c1ccc(N/N=C(\C)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 20168689 YSLQRKNRXUUOPH-YBFXNURJSA-N 361.785 4.261 30 40 FIEB CCc1ccc(-c2n[nH]c(SCCOc3ccc(C#N)cc3)n2)cc1 36213237 SKNDEJNLTYOHQU-UHFFFAOYSA-N 350.447 4.077 30 40 FIEB C=CCc1cccc(/C=N\n2c(-c3ccc(C)cc3)n[nH]c2=S)c1O 37501444 DLSLPFJDNWPCJO-NDENLUEZSA-N 350.447 4.232 30 40 FIEB N#Cc1ccc(NCCNc2ncc(C(F)(F)F)cc2Cl)c(F)c1 65504092 IPCMYQQPDXOKQM-UHFFFAOYSA-N 358.726 4.289 30 40 FIEB N#Cc1cnc(N2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)c(Cl)c1 75106877 HWRJKPYLFYBQOI-IEBWSBKVSA-N 355.869 4.479 30 40 FIEB Cc1cc(/N=C/c2cc([N+](=O)[O-])ccc2O)ccc1NC(=O)c1ccco1 102422486 ATMQNGIEGSZLHZ-RGVLZGJSSA-N 365.345 4.205 30 40 FIEB N#CCc1ccc(NC(=S)NCCCSCc2ccccc2)cc1 225597338 SVWNQCIMKBQYEH-UHFFFAOYSA-N 355.532 4.363 30 40 FIEB CCc1ccc(-n2c(C)cc(/C=N/N3C(=O)c4ccccc4C3=O)c2C)cc1 408759062 XEVAPQBHVHOLAF-ZVHZXABRSA-N 371.440 4.287 30 40 FIEB CCN(CC)c1ccc(/N=C/c2ccc(OCC(=O)O)c(Cl)c2)cc1 408858025 REDIFMTXOAMIDR-CIAFOILYSA-N 360.841 4.400 30 40 FIEB C=C1Cc2cc(OC)c(OC)cc2C(c2cccc(Cl)c2)=NN1C(C)=O 1591628 VGHKHXNSBMGGMM-UHFFFAOYSA-N 370.836 4.028 30 40 FIEB O=C(CO/N=C/c1ccccc1O)Nc1cc(C(F)(F)F)ccc1Cl 3217110 YWXYGUGHJAZILV-ODCIPOBUSA-N 372.730 4.054 30 40 FIEB CCn1c(SCc2ccc(C#N)cc2)nnc1-c1ccc(OC)cc1 3323438 SBBLEUVFEHJPGB-UHFFFAOYSA-N 350.447 4.138 30 40 FIEB C[C@@H]1CCc2c(sc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)c2C#N)C1 4079351 GLEAADPQCDYVAZ-SNVBAGLBSA-N 356.407 4.297 30 40 FIEB O=C1CCCC2=C1[C@H](c1ccccc1)c1c(nn(-c3ccccc3)c1O)N2 6139513 NEDVLBJVXXPBHL-SFHVURJKSA-N 357.413 4.142 30 40 FIEB CCOc1ccc(/C=C/c2nc(C#N)c(NCCCN(CC)CC)o2)cc1 7263579 XWQQFJWCDKARMT-JLHYYAGUSA-N 368.481 4.259 30 40 FIEB Cc1ccc(/C=C2/S/C(=N\c3ccccc3Br)NC2=O)o1 8413657 YIVXRXZSELZTIC-MDWZMJQESA-N 363.236 4.242 30 40 FIEB C=CCn1c(=O)c(C(=O)Nc2ccc(C)c(Cl)c2)c(O)c2ccccc21 12414637 SGFDRUNXYQPMDO-UHFFFAOYSA-N 368.820 4.107 30 40 FIEB CCOc1cc(C/N=C/c2cc(Br)ccc2O)ccc1OC 57412009 VFKZSGRWLURELC-YBFXNURJSA-N 364.239 4.181 30 40 FIEB Cc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2Cc2ccco2)cc1 102514901 MCJQRIRMVGZTGT-YDJIHCHBSA-N 373.408 4.210 30 40 FIEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\N1CCCC1)C2=O 118913838 BLPWZFDTYUVONX-MDHGTXKOSA-N 369.549 4.469 30 40 FIEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(C(=O)O)cc2)C(=O)N1C 408907223 AEKBCCZJNSCRJK-MSYUKONTSA-N 366.442 4.181 30 40 FIEB CCOC(=O)c1cccc(/N=C\c2cccn2-c2ccc(N(C)C)cc2)c1 408949599 BMUNGKOOOVHLDI-KQWNVCNZSA-N 361.445 4.471 30 40 FIEB COc1ccc2c(c1)Cc1sc(/N=C\c3ccccc3[N+](=O)[O-])nc1-2 409044489 VJRLYMCQDDVGKL-GRSHGNNSSA-N 351.387 4.382 30 40 FIEB Cc1ccc(S(=O)(=O)N/N=C(\c2ccccc2)c2ccsc2C)cc1 1763602 KLXYCVZDRDKZKE-FMQUCBEESA-N 370.499 4.096 30 40 FIEB C=CCOC(=O)c1c(N)n(-c2ccc(C)c(C)c2)c2nc3ccccc3nc12 2211399 UJXSEFJFHKFPRU-UHFFFAOYSA-N 372.428 4.116 30 40 FIEB C[C@H]1C=CC[C@H]2C(=O)N(c3ccc(Oc4ccc(C#N)cc4)cc3)C(=O)[C@H]12 4976855 OYAYDMDBQZWWHI-VHKYSDTDSA-N 358.397 4.052 30 40 FIEB CCOc1cc(C#N)ccc1OCc1cccc(C(=O)N2CCCCC2)c1 54914149 VOGYAPFDYJVHIP-UHFFFAOYSA-N 364.445 4.162 30 40 FIEB C=CCOc1cccc(NS(=O)(=O)c2ccc3cc(OC)ccc3c2)c1 223999314 IJLGOJBHVOOBAC-UHFFFAOYSA-N 369.442 4.214 30 40 FIEB COc1ccc(Br)cc1/C=N/Nc1ccc(C(F)(F)F)cn1 7008904 ZDPUZFZJYNXILE-IFRROFPPSA-N 374.160 4.318 30 40 FIEB Cc1nn2c(N)c(C#N)c(-c3ccccc3)nc2c1-c1ccc(Cl)cc1 15084138 RRJKWCQTIVERAM-UHFFFAOYSA-N 359.820 4.479 30 40 FIEB O/N=C1/CCC=CCCC=CCC[C@@H]1N1CCN(Cc2ccccc2)CC1 1559628120 ZIAZVJXASDLHHH-ZAVVLHJFSA-N 367.537 4.470 30 40 FIEB N#CC1(C#N)[C@@H](c2ccccc2)[C@@H](C(=O)C2CC2)N2c3ccccc3C=C[C@@H]21 4728979 NIMNLLIEQSFNSB-FSSWDIPSSA-N 365.436 4.067 30 40 FIEB CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccncc1 921360 YBJMHOJAYIXUET-UHFFFAOYSA-N 351.446 4.482 30 40 FIEB Cc1ccc(CCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)c(C)c1 23054940 JKFTXEDFYZXOCO-UHFFFAOYSA-N 359.391 4.423 30 40 FIEB C=CCOc1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 3652934 MUZHIMGAQWGRKY-GZTJUZNOSA-N 354.793 4.002 30 40 FIEB C=CCN(CC=C)C(=O)CSc1nnc(Nc2ccc(CC)cc2)s1 6559127 ZXYYAKXXCMXEFJ-UHFFFAOYSA-N 374.535 4.137 30 40 FIEB Cc1nnc(S)n1/N=C/c1c(C)n(Cc2ccccc2)c2ccccc12 408884372 UGKWFXVMYLUSFN-CIAFOILYSA-N 361.474 4.069 30 40 FIEB CC(C)N1C(=O)/C(=C\c2ccc3c(c2)OCO3)S/C1=N\c1ccccc1 408906682 DAZUHGDLUMJTAS-QFAYSNGYSA-N 366.442 4.428 30 40 FIEB Cc1cc(NC(=O)[C@H](SCc2cccc(C#N)c2)c2ccccc2)no1 9882915 KHGZCVJFQLSBTA-LJQANCHMSA-N 363.442 4.468 30 40 FIEB Cc1cc(C)n(-c2ccc([C@@H](C)Nc3ccc([N+](=O)[O-])cc3C#N)cc2)n1 79106186 HREFVYIITXWOLQ-OAHLLOKOSA-N 361.405 4.442 30 40 FIEB O=C(O/N=C(/Cc1ccccc1)c1cccs1)c1cccc([N+](=O)[O-])c1 409052037 FUNSPKYPODIFDI-JZJYNLBNSA-N 366.398 4.460 30 40 FIEB COc1ccc(Br)cc1C(=O)Nc1sc(C)c(C)c1C#N 314307857 CTHKDCVZJKHECU-UHFFFAOYSA-N 365.252 4.260 30 40 FIEB N#Cc1cc(N)c(Cc2cccc(Cl)c2)n1CCOc1ccc(F)cc1 225863220 FWTGEYKGZUNREE-UHFFFAOYSA-N 369.827 4.404 30 40 FIEB CCOC(=O)c1c(C)oc2c1/C(=C/Nc1cccnc1)C(=O)c1ccccc1-2 100859158 LFHGGOGYEDVNGQ-ATVHPVEESA-N 374.396 4.476 30 40 FIEB Cc1nc(NC(=O)CSc2nc3c(C)cccc3cc2C#N)sc1C 4849043 YWWKSXSFUPZWGN-UHFFFAOYSA-N 368.487 4.219 30 40 FIEB COc1cc(/C=N/n2c(C)n[nH]c2=S)ccc1OCc1cccc(C)c1 5236545 UHEQURLKXPDHFC-RGVLZGJSSA-N 368.462 4.027 30 40 FIEB CCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)S2)cc1 5551411 BQSIWPKCBKKQBQ-WJDWOHSUSA-N 353.403 4.049 30 40 FIEB COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(NC(=O)CC#N)cc1 10109508 ZWBJTWKLPAQFCU-UHFFFAOYSA-N 365.433 4.097 30 40 FIEB CCC(=O)O/N=c1\oc2ccccc2cc1C(=O)Nc1ccccc1Cl 20849376 KZZCWOFEXIBRHU-QOCHGBHMSA-N 370.792 4.107 30 40 FIEB N#CCc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1 39754973 FIIXITFRPGPWNV-UHFFFAOYSA-N 367.880 4.257 30 40 FIEB CCCCCCCCCCS(=O)(=O)N/N=C/c1ccc(OC)cc1 98001437 UKNCMYHWQIJKRN-KNTRCKAVSA-N 354.516 4.089 30 40 FIEB Cc1ccccc1OCc1nc(SCc2ccccc2)nc(N)c1C#N 223682894 HNYCGCUTOGQSHC-UHFFFAOYSA-N 362.458 4.110 30 40 FIEB C=CCSc1nnc(NC(=O)[C@@H](CC)Oc2ccc(C)c(C)c2)s1 224799225 KCBNEZISUYJROB-CQSZACIVSA-N 363.508 4.229 30 40 FIEB COc1ccccc1/N=C\c1ccc(OCC(=O)NC2CCCCC2)cc1 408818871 YQJJETLMWVYWKU-HAHDFKILSA-N 366.461 4.274 30 40 FIEB CCOC(=O)CS[C@@H]1c2ccccc2Nc2c1cnc(Cl)c2C#N 1300758 UWHCBCCXQULVSF-MRXNPFEDSA-N 359.838 4.049 30 40 FIEB Cc1ccc(-c2nc3n(n2)[C@@H](c2ccccc2F)C2=C(CCCC2=O)N3)cc1 4279828 RXFDNYGQLUARIJ-FQEVSTJZSA-N 374.419 4.415 30 40 FIEB O=C(/C=C/c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1ccccc1 4315092 YJHRKOSAQVRHNT-NTCAYCPXSA-N 353.377 4.383 30 40 FIEB C=CCNc1sc(C(=O)Nc2cccc(C(F)(F)F)c2)c(N)c1C#N 4454746 CIIODJLMQUSEDV-UHFFFAOYSA-N 366.368 4.071 30 40 FIEB N#Cc1cc2c(nc1SC[C@@H](O)CSCc1ccccc1)CCCC2 5424326 RXGFUJWAZDRWCG-SFHVURJKSA-N 370.543 4.218 30 40 FIEB COc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O 5960997 SZDFYNLSXNIHTE-ODLFYWEKSA-N 362.337 4.124 30 40 FIEB biogenic C/C(=N\OCC(=O)Nc1ccc(C(C)(C)C)cc1)c1ccc2c(c1)OCO2 8071374 VVYRBEBGSUIGEP-OEAKJJBVSA-N 368.433 4.092 30 40 FIEB C=CCn1c2cc(C)sc2c2cnn(Cc3ccc(F)cc3)c(=O)c21 12113474 COOCFXJEYHKLPL-UHFFFAOYSA-N 353.422 4.095 30 40 FIEB C=CCN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1Br 12922979 AFRZZOQBASEGAV-UHFFFAOYSA-N 366.280 4.139 30 40 FIEB COc1cc(C(=O)/C=C/c2ccc(F)c(Br)c2)ccc1O 13137341 ANMMTZTWFDABJM-ZZXKWVIFSA-N 351.171 4.199 30 40 FIEB CC1=CC(=O)/C(=C2/C[C@H](c3cccs3)Nc3ccccc3N2)C(=O)O1 135693924 HQXXUIBFQGFOKF-GBUWSYLDSA-N 352.415 4.001 30 40 FIEB COc1ccc(C#Cc2ccc(B3Nc4cccc5cccc(c45)N3)cc2)cc1 216632068 FTHZBEIIIDHBCG-UHFFFAOYSA-N 374.252 4.481 30 40 FIEB C=CCc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(OCC)c1OC 409352679 YJNFZWBPEJSMNT-PTNGSMBKSA-N 363.504 4.044 30 40 FIEB COc1ccc([C@H](CC(=O)c2ccc(Cl)cc2)C(C#N)C#N)cc1OC 852486 WYILAFQIQSQDHA-KRWDZBQOSA-N 368.820 4.377 30 40 FIEB C=CCNC(=O)CSc1nc(-c2ccccc2)nc2ccc(CC)cc12 4895553 ZLVNVTZKCFWRFD-UHFFFAOYSA-N 363.486 4.254 30 40 FIEB N#Cc1ccc(COC(=O)COc2ccc(OCc3ccccc3)cc2)cc1 5984404 BXFCRNULRNVJAX-UHFFFAOYSA-N 373.408 4.259 30 40 FIEB C=CCOc1c(Cl)cc(CN[C@@H](C)[C@@H](O)c2ccccc2)cc1OC 22076671 KOJAPZPTOAAVKW-IFXJQAMLSA-N 361.869 4.125 30 40 FIEB COc1cccc(C(=O)CSc2nc3ccc(OC)cc3cc2C#N)c1 35289036 QXOBZYQMNXJACJ-UHFFFAOYSA-N 364.426 4.099 30 40 FIEB N#Cc1cccc(CN2CC[C@H](c3nc4ccc(C(F)(F)F)cc4[nH]3)C2)c1 35446675 ZFGXOEPOUMVTHJ-HNNXBMFYSA-N 370.378 4.443 30 40 FIEB biogenic,in-vitro C[C@@H]1CC(C)(C)N(C)c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cn3)cc21 208205597 LZVQQTXHSQMNND-SRRANQMSSA-N 353.426 4.158 30 40 FIEB C=C(C)COc1cccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)c1 219780518 ARVBOPIJRGQKKG-UHFFFAOYSA-N 364.445 4.130 30 40 FIEB CC(C)c1ccc(N/N=C2\C(=O)N(C3CSC3)c3c(F)cccc32)cc1 223757548 MGABFCQPPKAWIV-NKFKGCMQSA-N 369.465 4.227 30 40 FIEB Oc1ccccc1/C(=N/Nc1ccccc1)c1cnn(-c2ccccc2)c1 3887447 RQZZULLFKBRHPR-YYDJUVGSSA-N 354.413 4.442 30 40 FIEB N#C/C(=N\Nc1ccccc1Cl)C(=O)c1ccc(Br)cc1 5679535 WQBHYEXGFXNIQN-XSFVSMFZSA-N 362.614 4.277 30 40 FIEB CCOc1cc(/C=N/n2cc(-c3ccccc3)nc2S)cc(Cl)c1O 6210992 MEOSTZDXLXSBQU-KEBDBYFISA-N 373.865 4.479 30 40 FIEB COc1cc(/C=N/c2ccccc2)ccc1OS(=O)(=O)c1ccccc1 8113954 UBMXDFUQLLHOMI-RCCKNPSSSA-N 367.426 4.214 30 40 FIEB CCC1=C(c2ccc(OC)cc2)[C@](O)(c2ccc(OC)cc2)[C@@H](CC)C1=O 9028068 FHGFLKNXDCJWSQ-REWPJTCUSA-N 366.457 4.364 30 40 FIEB CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(C#N)cc1 15300757 AHYMSZHOJYWPLY-UHFFFAOYSA-N 361.367 4.038 30 40 FIEB Cc1ccccc1N/C(=N\S(=O)(=O)c1ccccc1)c1ccccc1 15777263 JRVLTJOFBZGJRU-UHFFFAOYSA-N 350.443 4.243 30 40 FIEB CC(C)Oc1ccc(CNc2nc3c(cc2C#N)COC(C)(C)C3)cc1 20573631 HMFLFRNNEFYJLC-UHFFFAOYSA-N 351.450 4.204 30 40 FIEB CCc1ccc(Cn2nccc2NC(=O)/C=C/c2ccc(C#N)cc2)cc1 29766212 UDTITBXLIMEHAR-VAWYXSNFSA-N 356.429 4.017 30 40 FIEB O=C1CSC(=S)N1/N=C\c1ccc(-c2cccc(Cl)c2Cl)o1 33568133 CTXZXGKCPMMQIY-FMQZQXMHSA-N 371.270 4.448 30 40 FIEB C/C(=N\Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1O 409054849 VXUUNUYNBBZEJR-YBFXNURJSA-N 354.391 4.260 30 40 FIEB N#Cc1ccc(N2CCN(Cc3cccc(-c4ccncc4)c3)CC2)c(F)c1 512240026 CDHIGMOSAGFYIY-UHFFFAOYSA-N 372.447 4.082 30 40 FIEB Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccc3sc(C)nc3c2)n1 862105 UPKVEVWHLHSTFU-UHFFFAOYSA-N 368.487 4.219 30 40 FIEB C[C@@H]1CCc2c(sc(NC(=O)COc3cccc(Cl)c3)c2C#N)C1 947397 YDAJBQGSZNLGRT-LLVKDONJSA-N 360.866 4.415 30 40 FIEB Cc1ccc(/N=C/c2cc(C)cc(I)c2O)c(O)c1 1444778 HKILWHHAHJOXNH-CAOOACKPSA-N 367.186 4.070 30 40 FIEB CN(C)c1ccc(/C=N/Nc2cc(Cl)nc(-c3ccccc3)n2)cc1 4713151 SFDCIKKUFHMPQF-FYJGNVAPSA-N 351.841 4.309 30 40 FIEB Cc1cc(Br)cc2c1N(C)C(=O)/C2=C\C(=O)c1cccs1 5013585 UYTWLHVVZDJVDJ-WQLSENKSSA-N 362.248 4.062 30 40 FIEB NC(=O)c1ccc(/N=C/c2ccc(N3CCC(c4ccccc4)=N3)cc2)cc1 5020928 DBRWFOANVQAEMR-PCLIKHOPSA-N 368.440 4.151 30 40 FIEB O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccccn1 8037885 BKVCESDKRMYXKX-VAWYXSNFSA-N 366.424 4.285 30 40 FIEB C=CCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)CC(C)C 12408672 PKUUVSNLRIMVBK-UHFFFAOYSA-N 374.506 4.108 30 40 FIEB COc1ccc(C(=O)/C=C/c2cc(Br)cs2)c(OC)c1 13137559 NJPKXIPNUVGHHS-GQCTYLIASA-N 353.237 4.424 30 40 FIEB COc1cc(/C=C/C(=O)c2ccc(F)c(Cl)c2)cc(OC)c1OC 40140039 FMWLIZFDLRQVLN-QPJJXVBHSA-N 350.773 4.401 30 40 FIEB CCCCOc1ccc(C(=O)/C=C/Nc2cccc(C(=O)OC)c2)cc1 44843054 URMOAOZGRUNBJP-OUKQBFOZSA-N 353.418 4.461 30 40 FIEB CC(C)CCOc1ccc(CN2C(=O)/C(=N\O)c3cccc(Cl)c32)cc1 46084733 CXPDZBVAAOQVIX-PYCFMQQDSA-N 372.852 4.490 30 40 FIEB CCn1c(NC(=O)[C@@H]2CCCc3sccc32)nc2cc(C#N)ccc21 131950156 KUEVDIVYNGTYEV-CQSZACIVSA-N 350.447 4.048 30 40 FIEB COc1cc(/C=N/Nc2ccccc2Cl)cc(Br)c1O 5163541 JQWDTJJEHXSLAR-CAOOACKPSA-N 355.619 4.263 30 40 FIEB C=CCSc1nnc(NC(=O)Cc2coc3ccc(CC)cc23)s1 6809829 WRRMEYXKDRUDPF-UHFFFAOYSA-N 359.476 4.306 30 40 FIEB CCN(CCC#N)c1ccc([C@H]2Nc3ccccc3C(=O)N2C2CC2)c(C)c1 7088321 FKUKUNYGYVELQX-QFIPXVFZSA-N 374.488 4.464 30 40 FIEB O=C(O)COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1 7741946 HYBWERCTQJOGFB-FPYGCLRLSA-N 351.185 4.353 30 40 FIEB CC1(C)Cc2nc(NC(=O)Nc3cccc(Cl)c3)c(C#N)cc2CO1 9423158 XZWDHGALVLSLIK-UHFFFAOYSA-N 356.813 4.102 30 40 FIEB Cc1cc(C)c2cc(C#N)c(SCC(=O)Nc3ncc(C)s3)nc2c1 35314868 LCJYLGVBBNYQFH-UHFFFAOYSA-N 368.487 4.219 30 40 FIEB C[C@@]1(C#N)CCCN(C(=O)CCCOc2ccc(Cl)cc2Cl)C1 96010274 CDKFWZVSSGPDPG-KRWDZBQOSA-N 355.265 4.305 30 40 FIEB CCCOc1cc(/C=C2/COc3ccc(OC)cc3C2=O)ccc1OC 96812639 BPTXTKYWDBUROE-GDNBJRDFSA-N 354.402 4.151 30 40 FIEB C#CCN1C(=O)S/C(=C\c2ccc(OCc3cccc(F)c3)cc2)C1=O 1146165 GQDIQHSXEHDBOZ-PDGQHHTCSA-N 367.401 4.074 30 40 FIEB N#C[C@H](C(=O)c1c(F)c(F)c(F)c(F)c1F)c1cc2ccccc2cn1 2373055 DHEUACRQWMDONW-JTQLQIEISA-N 362.257 4.420 30 40 FIEB COc1cc(/C=N/c2cc(NC(C)=O)c(Cl)cc2Cl)ccc1O 3148593 VCRUIMUSLFDJSB-UFWORHAWSA-N 353.205 4.417 30 40 FIEB CC(=O)/N=C1\NC(=O)/C(=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)S1 5601975 RCBAECHSZOQMQW-NVNXTCNLSA-N 360.822 4.015 30 40 FIEB COc1ccc(NC(=S)N/N=C2/CCCCc3ccccc32)cc1OC 6370122 AZELQJQWXHJENN-XLNRJJMWSA-N 369.490 4.121 30 40 FIEB COc1cc(/C=N/Nc2nc(C)cs2)ccc1OC(=O)c1ccccc1 12128355 ILJUSAVBEFELEB-RGVLZGJSSA-N 367.430 4.125 30 40 FIEB O=C1/C(=N\c2ccccc2)c2ccccc2N1CN1CCc2ccccc2C1 12436532 OXJRAKCTMRITHZ-BZZOAKBMSA-N 367.452 4.170 30 40 FIEB C=CCNc1nc(Nc2ccc(F)cc2)c2cnn(-c3ccccc3)c2n1 16890296 FTXLMFGNJIODJU-UHFFFAOYSA-N 360.396 4.296 30 40 FIEB CCOc1cccc(OCC)c1/C(C)=N/NCc1ccc(OC)c(OC)c1 20196821 AUSRJLBLURMPAW-HZHRSRAPSA-N 372.465 4.015 30 40 FIEB CC(C)=CCC1=C(O)C(C(=O)CC(C)C)=C(O)[C@](O)(CC=C(C)C)C1=O 101569876 VZMXLSLKOHIKTQ-NRFANRHFSA-N 362.466 4.252 30 40 FIEB biogenic C=CCSc1nnc(NC(=O)[C@@H](CC)Oc2cccc(C)c2C)s1 224023623 ORQOQIRENORQRC-CYBMUJFWSA-N 363.508 4.229 30 40 FIEB C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C(Br)=C4CC[C@@H]3[C@@H]1CC[C@@H]2O 263593181 AYZGVGDSHHIXQT-GJNFXXOMSA-N 353.300 4.212 30 40 FIEB N#Cc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccc3c(c1)OCO3)[C@H]1CC=C[C@@H]21 408753148 IDRCLEDFSLVPTF-VCBZYWHSSA-N 361.357 4.022 30 40 FIEB Cc1ccc(N=C2NC(=O)/C(=C\c3cc([N+](=O)[O-])ccc3Cl)S2)cc1 408966075 MQWGDINTPHHVMJ-OQLLNIDSSA-N 373.821 4.448 30 40 FIEB CCOc1ccc(Cl)cc1/C=N/NC(F)(F)C(F)(F)C(F)(F)F 409035590 QDYNCMJLGRGMKL-AERZKKPOSA-N 366.664 4.453 30 40 FIEB C=CCOc1ccc(/C=C2\SC(=S)N(c3cccc(O)c3)C2=O)cc1 1788616 ZHBRYPDCYAJKHW-BOPFTXTBSA-N 369.467 4.363 30 40 FIEB C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(C#N)cc1)c1ccccc1 3421376 OWVAIJXLTLDLTI-MRXNPFEDSA-N 369.424 4.302 30 40 FIEB Cc1ccc(NC(=O)CSc2nc3ccccc3n2CCC#N)cc1C 5694711 SOOYLBXYUMIIPP-UHFFFAOYSA-N 364.474 4.298 30 40 FIEB C=CCSc1nnc(-c2cc3c(-c4ccccc4)nn(C)c3s2)n1C 5943380 IFYKGIQCQLTSLI-UHFFFAOYSA-N 367.503 4.375 30 40 FIEB COc1ccc(-c2c[n+](CC(=O)c3ccccc3)c3n2CCCCC3)cc1 12558271 DBGCBXJBJUHLIT-UHFFFAOYSA-N 361.465 4.061 30 40 FIEB C[C@H](NC(=O)CCc1ccc(C#N)cc1)c1ccc(OC(F)(F)F)cc1 31952066 PBGWPXPHBPJUFX-ZDUSSCGKSA-N 362.351 4.267 30 40 FIEB CCc1ccccc1-n1c(C)cc(/C=N/Nc2ncccc2[N+](=O)[O-])c1C 408968315 VGNCHEVASRXOEW-LPYMAVHISA-N 363.421 4.406 30 40 FIEB CCOC(=O)Cn1c(C)c(/C=N/c2oc(C)c(C)c2C#N)c2ccccc21 409150063 ZIFRHBCKOSSWGR-FOKLQQMPSA-N 363.417 4.345 30 40 FIEB N#Cc1ccc(-c2n(O)c(-c3ccccc3)c(-c3ccccc3)[n+]2[O-])cc1 6864544 YDFHOMOBQZSFFW-UHFFFAOYSA-N 353.381 4.231 30 40 FIEB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccccc1C#N 100430492 KWWRPILPOOVLIJ-PDGQHHTCSA-N 373.441 4.277 30 40 FIEB Cc1cccc(NC(=O)COc2c(Cl)cc(/C=N\O)cc2Cl)c1 409270973 SJGOARUBLMNZIM-UWVJOHFNSA-N 353.205 4.127 30 40 FIEB O=C1C[C@@H](c2cccc(F)c2F)C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)N1 6820325 NBWFLVIKSKSADJ-DOMZBBRYSA-N 371.358 4.108 30 40 FIEB CCN(C(=O)CSc1nc(C)cc(C(F)(F)F)c1C#N)C1=CCCC1 6821561 KKYQTIWNUWDIFO-UHFFFAOYSA-N 369.412 4.289 30 40 FIEB C=CCOc1ccc(/C=C2\SC(=O)N(CCCCC)C2=O)cc1OC 409201642 NFFTUGUVGQKZIX-LGMDPLHJSA-N 361.463 4.487 30 40 FIEB CC1(C)OB(C2=CCN(C(=O)c3ccc(C(F)F)cc3)CC2)OC1(C)C 1776000388 ZURFNZVLZABYTP-UHFFFAOYSA-N 363.213 4.028 30 40 FIEB C=CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccco1 719744 ZSVCRTYPIXPKCP-UHFFFAOYSA-N 368.462 4.072 30 40 FIEB CC(=O)C1=NN(c2ccccc2)[C@@H](C#Cc2ccccc2)N1c1ccccc1 3672742 CDDITMNBJCGIKW-QHCPKHFHSA-N 365.436 4.294 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1C 4918533 SSMJQMMCCGUIIP-TZIWHRDSSA-N 352.405 4.453 30 40 FIEB N#Cc1cccc(NC(=O)CN2CCc3sccc3[C@@H]2c2ccccc2)c1 12941882 WHEKMHSLIQNKNE-QFIPXVFZSA-N 373.481 4.206 30 40 FIEB Cc1cc(C2=NN/C(=N\C3CC3)SC2)c(C)n1[C@H](C)c1ccccc1 8719501 TVDJAWLRMPASCE-CQSZACIVSA-N 352.507 4.273 30 40 FIEB Cc1csc([C@H](C#N)C(=O)CSc2cc(C)c3ccccc3n2)n1 6610601 DUEJRAUOAIFHHY-CQSZACIVSA-N 353.472 4.277 30 40 FIEB N#Cc1ccc(OCC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)cc1 7898930 TYOAKWZQTSZMCD-UHFFFAOYSA-N 366.804 4.167 30 40 FIEB Cc1ccccc1COc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cn2)cc1 408890888 HZNNTSBYZWARCX-WSDLNYQXSA-N 362.389 4.323 30 40 FIEB CCOc1cc(/C=N/NCc2ccccc2OC)cc(Cl)c1OCC 20763287 OUSKHKLODARZKV-CIAFOILYSA-N 362.857 4.270 30 40 FIEB Cc1nc(Br)c(-c2ccccc2)c(Br)c1C#N 71254887 QWAOKAASGBWYOU-UHFFFAOYSA-N 352.029 4.454 30 40 FIEB O=C1N/C(=N/c2cccc3ccccc23)S/C1=C/c1ccc2c(c1)OCO2 35648033 GYRWUAHSRCKZIJ-YBFXNURJSA-N 374.421 4.460 30 40 FIEB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OC(C)=O)cc1C#N 225848910 IHYHAVBEFMXPSF-FQEVSTJZSA-N 360.454 4.188 30 40 FIEB Cc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1ccccc1F 16971200 MRQMQGDGZIRULF-SZNDQCEHSA-N 374.419 4.141 30 40 FIEB COc1cc(N/N=C/c2c(O)ccc3ccccc23)nc(-c2ccccc2)n1 5003453 SAGIDOKGAHNCBA-OEAKJJBVSA-N 370.412 4.457 30 40 FIEB CCCCc1nnc(S)n1/N=C/c1c(OCC)ccc2ccccc12 6072959 NKDPSNNQCNNXTR-DEDYPNTBSA-N 354.479 4.344 30 40 FIEB N#Cc1ccccc1OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 6788274 WHTCTTDLNBFLRN-UHFFFAOYSA-N 354.715 4.248 30 40 FIEB N#CCCCOC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 36735118 AVOWCRBYIYZTLJ-UHFFFAOYSA-N 351.431 4.120 30 40 FIEB CCCC[C@@H]1S/C(=N\N=C\c2ccco2)N(Cc2ccccc2)C1=O 51366966 XBKHCMRDLYHWMG-OJYKYLQSSA-N 355.463 4.304 30 40 FIEB C=CCC[C@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 85221257 ZZWOKVRONYEEBJ-QFIPXVFZSA-N 365.429 4.335 30 40 FIEB Cc1nn(-c2ccccc2)c(O)c1/C=N/Nc1cc(C)c2ccccc2n1 95351712 QNCMHDFFYHWLDE-LPYMAVHISA-N 357.417 4.189 30 40 FIEB C=CCOc1ccc(N(CC)S(=O)(=O)c2ccc(Cl)cc2)cc1 224721474 QNHLJOYFECCQMZ-UHFFFAOYSA-N 351.855 4.120 30 40 FIEB CCCCCCCNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 408709807 XFEQIZBGOAXGFN-UHFFFAOYSA-N 364.795 4.384 30 40 FIEB COc1ccc(C(=O)/C=C/Nc2cccc(CN3CCCC3)c2)cc1OC 44843591 BPIMHGOGQZJSCF-ZHACJKMWSA-N 366.461 4.108 30 40 FIEB C=CCn1c(SCC(=O)NC2CCCCCC2)nnc1-c1ccccc1 3563060 GNWGRYIMJZIDJH-UHFFFAOYSA-N 370.522 4.062 30 40 FIEB CC(=O)c1cc(C#N)c(SCCCC(=O)c2ccc(F)cc2)nc1C 13023361 SCYGAOXTGNLXKU-UHFFFAOYSA-N 356.422 4.359 30 40 FIEB O=C1Nc2ccccc2/C1=N\N=C1/CCCc2c1[nH]c1ccc(Cl)cc21 4471971 IQUNJPOBQNAYTJ-JJIBRWJFSA-N 362.820 4.303 30 40 FIEB CCC(=O)[C@@]1(C)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 3945984 QTTRZHGPGKRAFB-OOKHYKNYSA-N 370.533 4.497 30 40 FIEB biogenic,fda Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccc(C2(C#N)CC2)cc1 225859401 SKUQBFQLOGIKSW-UHFFFAOYSA-N 360.442 4.321 30 40 FIEB C=CCSc1nnc(NC(=O)[C@H](CC)Oc2cccc(Cl)c2)s1 223110546 XUBZNUXJILRNPE-LBPRGKRZSA-N 369.899 4.266 30 40 FIEB Cc1ccc(-c2nc(C#N)c(NC[C@@H](C)N3C[C@@H](C)C[C@@H](C)C3)o2)cc1 1775965013 QAAYMOAWVASRHC-IXDOHACOSA-N 352.482 4.300 30 40 FIEB CCOc1ccccc1/C=C1\Oc2c(ccc(O)c2CN(CC)CC)C1=O 13653798 VWUYZAWZBWFQJN-MOSHPQCFSA-N 367.445 4.249 30 40 FIEB CC[C@@H]1S/C(=N\N=C\c2cccs2)N(Cc2ccc(F)cc2)C1=O 2322388 OXASPXZINCQJBR-SGKKMGNFSA-N 361.467 4.131 30 40 FIEB C=CCn1c([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)nc2ccccc21 4385009 QLHOLIOOLXELDO-CQSZACIVSA-N 351.837 4.396 30 40 FIEB C/C(=N\OCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccc(C)cc1 4493698 LCMHFTXIMNPZRO-OEAKJJBVSA-N 367.474 4.186 30 40 FIEB C=CCN/C(S)=N/N=C\c1ccc(OCc2ccccc2)c(OCC)c1 5548759 YSEANPNBNNLBCJ-HMAPJEAMSA-N 369.490 4.060 30 40 FIEB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccccn1)C1=C(CCCC1=O)N2 18198773 BSPIIKTYQHCIHO-OAQYLSRUSA-N 356.429 4.140 30 40 FIEB S=C(N/N=C\c1ccc(Cl)cc1Cl)N[C@H]1CCc2ccccc21 34846761 YCUYOCUDFQGWHL-OBLBUWMUSA-N 364.301 4.479 30 40 FIEB C[C@@H]1/C(=C\c2ccc(-n3ccnc3)c(F)c2)C(=O)c2c(O)ccc(F)c21 101276673 XFXXHYAYKNFQRA-KAQJVSAMSA-N 352.340 4.240 30 40 FIEB COc1ccc(/C=C2\SC(=Nc3cc(Cl)ccc3OC)NC2=O)cc1 408845104 FGDLTYHKLSTYSI-SXGWCWSVSA-N 374.849 4.249 30 40 FIEB Cc1cc(/C=N\C2CCCCC2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 408846520 NVFRCYWVWMUNOG-UUYOSTAYSA-N 368.433 4.242 30 40 FIEB C#CCOc1c(CC=C)cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc1OC 409074479 LYXTWLUTEQOTSB-KGENOOAVSA-N 350.374 4.095 30 40 FIEB C=CCN1C(=O)S/C(=C/c2ccc(-c3cccc(C(=O)O)c3C)o2)C1=O 409097544 GXXCHFWDKBFSAQ-MHWRWJLKSA-N 369.398 4.176 30 40 FIEB Cc1cccc(/N=C2\NC(=O)/C(=C/c3ccc(N4CCCCC4)o3)S2)c1 59138029 BRWPMZKVDXYFLF-LGMDPLHJSA-N 367.474 4.470 30 40 FIEB CCC1=C(c2ccc(OC)cc2)[C@](O)(c2ccc(OC)cc2)[C@H](CC)C1=O 9028065 FHGFLKNXDCJWSQ-OFNKIYASSA-N 366.457 4.364 30 40 FIEB Cc1ccc2cc(C#N)c(SCC(=O)NC3CCCCC3)nc2c1C 57653847 AKSPTEJLHZONPO-UHFFFAOYSA-N 353.491 4.264 30 40 FIEB CCOC(=O)c1c(C)[nH]c(C(=O)/C=C/c2cccc(OCC)c2OC)c1C 8321422 BZBUFGAWHAQADM-VAWYXSNFSA-N 371.433 4.112 30 40 FIEB CCOc1cc2c(cc1/C=C/C(=O)c1ccc3c(c1)OCO3)O[C@@H](C)C2 5129231 VLZQQXWFKGOHRU-BPJJOFIESA-N 352.386 4.034 30 40 FIEB N#CC1(NC(=O)COc2ccc(-c3ccccc3)cc2Cl)CCCC1 5170037 WZIABJZBCARFBK-UHFFFAOYSA-N 354.837 4.338 30 40 FIEB C=CCSc1nnc(NC(=O)c2nc(-c3ccccc3)oc2C)s1 6542410 VNHADYAHXYZRIZ-UHFFFAOYSA-N 358.448 4.032 30 40 FIEB COc1ccc2cc(/C=N/Nc3ccc(C(=O)O)cc3)c(Cl)nc2c1 5576884 FEKOPHXXCYYVCB-KEBDBYFISA-N 355.781 4.041 30 40 FIEB CCOC(=O)[C@H](CC)Sc1cc(C)c(C#N)c2nc3ccccc3n12 7134840 WRWJQFMYJCREPJ-INIZCTEOSA-N 353.447 4.101 30 40 FIEB CCOC(=O)c1ccc(/N=C/c2cccn2-c2cccc(C(=O)O)c2)cc1 409086987 IEMIRZWKGYTREC-HYARGMPZSA-N 362.385 4.103 30 40 FIEB COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@H](C)[C@@H]2CCCC[C@H]21 230048871 YNGMSUOORXTWSJ-YTQUADARSA-N 370.493 4.153 30 40 FIEB CCOC(=O)/C(=N\Nc1cccc(C(F)(F)F)c1)N(C)C1CCCCC1 13306036 FRHAEWHFSFGAMS-XQNSMLJCSA-N 371.403 4.258 30 40 FIEB [N-]=[N+]=Nc1ccccc1C(=O)NCCCNC(=O)c1ccccc1N=[N+]=[N-] 17126923 DCETYCXYXFMJQV-UHFFFAOYSA-N 364.369 4.120 30 40 FIEB CCOc1cc(/C=N\Nc2ccc(Br)cc2)ccc1OCC#N 30750364 ICCQVOJJZDJSDU-NDENLUEZSA-N 374.238 4.196 30 40 FIEB Cc1cc(/C=N\c2cccc([N+](=O)[O-])c2)c(C)n1NC(=O)c1ccccc1 8334726 GODOWCXVNHKMNQ-BKUYFWCQSA-N 362.389 4.148 30 40 FIEB N#Cc1ccccc1OCC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 12795631 XAUPYFVAMXPMEA-FQEVSTJZSA-N 366.417 4.043 30 40 FIEB CCOc1ccccc1/N=C1/NC(=O)/C(=C/c2c[nH]c3ccccc23)S1 18163523 KXQOWENGFPENKZ-WQRHYEAKSA-N 363.442 4.458 30 40 FIEB C=CCSc1nnc(NC(=O)[C@H](C)Sc2ccc(C)cc2)s1 19165313 FEKDQMPYGVVCTJ-NSHDSACASA-N 351.522 4.244 30 40 FIEB Cc1c(/C=N/NC(=S)Nc2ccccc2)c(Cl)nn1-c1ccccc1 408896251 XAMHLSKNLIGHMT-UDWIEESQSA-N 369.881 4.155 30 40 FIEB C=CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)C1=O 409123832 IHTZZJMKLHNKSB-DEDYPNTBSA-N 363.461 4.296 30 40 FIEB Cc1c(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cccc1[N+](=O)[O-] 799292 OINXLZPTIJURMU-SNVBAGLBSA-N 355.419 4.214 30 40 FIEB CCCCc1ccc(N2CC(=O)C(c3nc4ccccc4s3)=C2N)cc1 1806256 BZOZYJDCYQRKSU-UHFFFAOYSA-N 363.486 4.356 30 40 FIEB N#CCOC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12 3330500 BGTIQOPGTPAMGS-UHFFFAOYSA-N 367.202 4.345 30 40 FIEB CC(C)(C)NC(=O)CSc1nc(C(C)(C)C)cc(C(F)(F)F)c1C#N 8843592 LNTSKRZBDLORMX-UHFFFAOYSA-N 373.444 4.276 30 40 FIEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccccc1)c1cccs1 12981746 LZHFHJXLYQOAMV-QRWLVFNGSA-N 362.454 4.293 30 40 FIEB O=C1C(SC(F)(F)C(F)F)=C(C(F)(F)F)O[C@@H]2[C@H]3C=C[C@@H](C3)[C@@H]12 100125497 JXTBELKWIIAVQB-VUBPFVNUSA-N 362.266 4.141 30 40 FIEB N#Cc1c(Cc2ccccc2)nn(Cc2ccc(Cl)c(Cl)c2)c1N 225846730 GBZKRAWXZZTNFD-UHFFFAOYSA-N 357.244 4.283 30 40 FIEB FC(F)(F)c1ccc(N/N=C/c2cc(Br)cs2)nc1 409101547 YETQSAIZGMIUEB-YAXRCOADSA-N 350.163 4.370 30 40 FIEB C=CCn1c(SCc2ccc(C#N)cc2Cl)nc2ccccc2c1=O 1088854 FWZHOHSQZQYXEA-UHFFFAOYSA-N 367.861 4.400 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@H]1c1ccccc1C 4918280 SHSVYLNCWQMSEY-RBBKRZOGSA-N 364.441 4.323 30 40 FIEB C=CCn1c(S[C@H](C)C(=O)c2ccc(C)cc2)nnc1-c1ccncc1 6907715 GBBBCLRGQCPUCK-OAHLLOKOSA-N 364.474 4.198 30 40 FIEB COc1ccc(/C=N/Nc2nc(-c3[nH]c(C)c(C(C)=O)c3C)cs2)cc1 7763187 DHSYFJCCVJAIQZ-AWQFTUOYSA-N 368.462 4.412 30 40 FIEB COc1ccc2c(c1)c(/C=C1/Oc3c(ccc(OCC#N)c3C)C1=O)cn2C 8991329 ZXTKKQQIFXUDEQ-KEBDBYFISA-N 374.396 4.014 30 40 FIEB O=C1NC2=C(C(=O)c3ccccc32)[C@H](c2ccc(Oc3ccccc3)cc2)N1 28465809 CQIAOUJUQWYVEB-FQEVSTJZSA-N 368.392 4.440 30 40 FIEB C/C(=N\Cc1ccncc1)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 100370431 LMNZJZSDUYEYSG-PCLIKHOPSA-N 369.424 4.101 30 40 FIEB Cc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2Cc2ccco2)cc1 102514910 MCJQRIRMVGZTGT-NHFXJNLRSA-N 373.408 4.210 30 40 FIEB O=C(O)c1ccc(Cn2cc(/C=N/Nc3ccccc3)c3ccccc32)o1 408542923 LTPGOEPZACEVTK-WSDLNYQXSA-N 359.385 4.427 30 40 FIEB Cc1cccc(-n2c(C)cc(/C=N/N3C(=O)c4ccccc4C3=O)c2C)c1 408761132 CDYRBJOMWPUTCI-YDZHTSKRSA-N 357.413 4.033 30 40 FIEB CC(C)(C)OC(=O)N[C@@](C)(CS)Cc1ccc(Br)cc1 685950609 UXLYCUAVJBIGLV-OAHLLOKOSA-N 360.317 4.205 30 40 FIEB C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CNc1ccc(C#N)cc1 59951834 MWTZTZLZTCQRPR-LBPRGKRZSA-N 362.260 4.497 30 40 FIEB Cc1nn2c(=N)c(C#N)c(-c3ccc(Cl)cc3)[nH]c2c1-c1ccccc1 102750069 XNSXGMXJQASROE-UHFFFAOYSA-N 359.820 4.309 30 40 FIEB CNC(=O)c1ccc(/C=C/C(=O)c2ccc(OCCC(C)C)cc2)cc1 24757145 WEIZTLUXUWPMAB-AWNIVKPZSA-N 351.446 4.367 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccccc2)C[C@H]1c1ccc(OC)cc1 2205015 CTEUILIVXVVQJX-FPOVZHCZSA-N 350.414 4.015 30 40 FIEB Cc1sc(NC(=O)COc2ccc(C#N)cc2)nc1-c1ccc(F)cc1 6375846 CPOSEIBMMCHFQS-UHFFFAOYSA-N 367.405 4.147 30 40 FIEB COc1ccc(/N=C2/SCCN2CC(=O)c2ccc(Cl)cc2)cc1 95951066 VDONKRJVJWWZOL-CZIZESTLSA-N 360.866 4.268 30 40 FIEB C=CCO[C@@H]1CC2(CCN(C(=O)C3CC(F)C3)CC2)c2cc(C)ccc21 585105638 NDOSPPOVBYVQNW-LBXVMSDZSA-N 357.469 4.251 30 40 FIEB COc1cc(/C=N/c2ccccc2C)cc(I)c1O 3068580 SVYMRSGCWBKYEP-RQZCQDPDSA-N 367.186 4.064 30 40 FIEB Cc1ccc(/N=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])o3)cc2)cc1 1421716 SHDXRYSPUCPBAH-UDWIEESQSA-N 350.330 4.466 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(Nc2cccc(F)c2)C[C@@H]1c1ccccc1 1079996 SYAGWLMWYQBCBM-QUCCMNQESA-N 353.393 4.057 30 40 FIEB COc1cc2cc(C#N)c(SCC(=O)c3ccccc3)nc2cc1OC 1355249 HKQDBGRHGPVVAK-UHFFFAOYSA-N 364.426 4.099 30 40 FIEB C=C(C)CNC(=S)N(C)[C@@]1(c2ccccc2Cl)CCCCC1=O 3287995 CNRXOLKWOCTQHS-GOSISDBHSA-N 350.915 4.061 30 40 FIEB N#CC(CC(=O)N1CCc2ccccc21)(c1ccccc1)c1ccccc1 3326708 TZLXMLRHLZCCHT-UHFFFAOYSA-N 352.437 4.476 30 40 FIEB CCCc1c(C)c(C#N)c2nc3ccccc3n2c1NCCCn1ccnc1 4149326 CUZFBBKKFUMHBL-UHFFFAOYSA-N 372.476 4.319 30 40 FIEB CCN(CC)S(=O)(=O)c1cc(/N=C/c2sccc2C)ccc1C 5560274 WLSPLNCCPJBVMP-LDADJPATSA-N 350.509 4.146 30 40 FIEB Cc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CCCC3)cc1C 5795116 UHGXGKZVEUFNMZ-UHFFFAOYSA-N 369.515 4.242 30 40 FIEB C[C@@H]1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2ccccc2)C1=O 6129724 YQZCRTKHBZHVCY-RVYXMPNASA-N 357.866 4.194 30 40 FIEB Cc1cc(N2CCN(Cc3ccc(C#N)cc3)CC2)nc2c(C)cccc12 7779152 HVBLVUDAXAAETR-UHFFFAOYSA-N 356.473 4.046 30 40 FIEB O=[N+]([O-])c1ccc(/N=C2\C=CC(O)=C2Nc2ccc([N+](=O)[O-])cc2)cc1 12524713 KHFHQVGRSPJZBL-UHFFFAOYSA-N 352.306 4.027 30 40 FIEB CCOC(=O)[C@H](C#N)[C@H](c1ccco1)[C@H]1C(=S)Sc2ccccc21 16682116 DFQWBJXAXWCZQR-WQVCFCJDSA-N 357.456 4.283 30 40 FIEB N#Cc1nc(-c2ccco2)oc1NC[C@@H](c1ccco1)N1CCCCC1 27992954 XVUMGJLEIMIVQA-HNNXBMFYSA-N 352.394 4.038 30 40 FIEB COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)cc1OC 38361135 JUNAZIQZEYTCMG-KDWIEBRMSA-N 368.458 4.246 30 40 FIEB CCN(C(C)=O)c1nc(/C=C/C(=O)c2ccc(F)c(Cl)c2)cs1 40140033 JLNNAWMXHMXEOM-FNORWQNLSA-N 352.818 4.205 30 40 FIEB CCCCCOc1ccccc1CN1C(=O)/C(=N\O)c2c(C)cccc21 46085142 IIEPWCQSAYMGNE-XDOYNYLZSA-N 352.434 4.289 30 40 FIEB C/C(=N\Nc1ncccc1Cl)c1ccc(O)c(CN2CCCCC2)c1 98042614 BQLXDDIXWNGDBH-HYARGMPZSA-N 358.873 4.263 30 40 FIEB C#CCOC(=O)c1cc(Cl)c(OCc2cccc(F)c2)c(OCC)c1 216829336 PFUAEWGLPXBKFU-UHFFFAOYSA-N 362.784 4.247 30 40 FIEB Cc1cccc(Cn2nc(OCc3cccc4ccccc34)c(C#N)c2N)c1 225845558 LGOXPEBXULTTFL-UHFFFAOYSA-N 368.440 4.426 30 40 FIEB C=CCOc1cccc(NC(=S)NC2(c3ccccn3)CCCC2)c1 225868655 ZQGAWRRRMJWZMF-UHFFFAOYSA-N 353.491 4.402 30 40 FIEB N#Cc1cc(N)c(Oc2ccc3c(c2)OCO3)n1Cc1ccc(Cl)cc1 225886466 LIWNHVHEBSRANF-UHFFFAOYSA-N 367.792 4.165 30 40 FIEB COc1ccc(/C=C/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)cc1 408963318 ZCYKPZDGCVGPNY-FKKWJZCKSA-N 366.442 4.152 30 40 FIEB C#CCN1C(=O)S/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)C1=O 1166733 SHXVMUKLMSTPEN-PDGQHHTCSA-N 367.401 4.074 30 40 FIEB CCSc1nc2n(n1)[C@@H](c1cccc(F)c1)C1=C(CC(C)(C)CC1=O)N2 6677842 AMPNVABGGKTGGR-INIZCTEOSA-N 372.469 4.187 30 40 FIEB C[C@H]1CC[C@@H]2C(=O)N(c3ccc(Oc4ccc(C#N)cc4)cc3)C(=O)[C@@H]2C1 17986719 KJWSKORJFCFRHG-PNHOKKKMSA-N 360.413 4.276 30 40 FIEB C=CCNc1nnc(SCc2ccc(-n3nc(C)cc3C)cc2)s1 30533011 FRJAPAZDXFIJFC-UHFFFAOYSA-N 357.508 4.231 30 40 FIEB C=CCN(Cc1cccs1)C(=O)c1cc(C2CC2)nc2onc(C)c12 32888379 KCZWOLYJGJTHPL-UHFFFAOYSA-N 353.447 4.299 30 40 FIEB O=C1/C(=N\O)c2cccc(Cl)c2N1CCOc1ccc2ccccc2c1 46084698 DHUCRQQLNGWNJR-PYCFMQQDSA-N 366.804 4.097 30 40 FIEB O=C1/C(=C/NCc2ccccc2)Nc2ccc(Br)c(Cl)c21 100392294 NMSVRZXJMKXHSI-LCYFTJDESA-N 363.642 4.342 30 40 FIEB Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc(-c2cnco2)cc1 102126000 FLLJXRLSQOZFPO-QGZVFWFLSA-N 369.380 4.337 30 40 FIEB O=C(Nc1cc(Cl)cc(Cl)c1)O[C@@H]1C[C@@H]2C[C@@H]1[C@H]1C[C@H]3O[C@@H]3[C@H]21 103894597 SCMSVYPLOIDEGK-LDTRQWSESA-N 354.233 4.354 30 40 FIEB CC(C)(C)c1cc(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)c(C#N)s1 154277431 DEKAPRKJEIOPSC-GFCCVEGCSA-N 371.437 4.121 30 40 FIEB C[C@]12CC[C@@H]3[C@H]([C@@H]4C[C@@H]4C4=CC(=O)CC[C@@]43C)[C@@H]1[C@@H]1C[C@H]1[C@]21CCC(=O)O1 253535720 METQSPRSQINEEU-WMVFUCQHSA-N 366.501 4.306 30 40 FIEB C#CCOc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1Cl 408937653 JGTSEZHOJUTNIG-SFQUDFHCSA-N 350.805 4.158 30 40 FIEB CCOC(=O)Nc1nc2ccc(NC(=O)C3(C#N)CCCCC3)cc2s1 58722960 DNGPBDFIJFDSCJ-UHFFFAOYSA-N 372.450 4.277 30 40 FIEB C=COC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N 2350429 XJSRZYIUNSUMAA-UHFFFAOYSA-N 370.377 4.479 30 40 FIEB CN1C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2=C1CC(C)(C)CC2=O 4009257 FLMIAZRHVNFAFG-HNNXBMFYSA-N 352.356 4.045 30 40 FIEB C=CCOc1ccc(Br)cc1/C=N/Nc1nc2ccccc2[nH]1 4113172 PEGQFQPFWKLPTQ-YBFXNURJSA-N 371.238 4.336 30 40 FIEB CCOc1ccccc1OCCCC(=O)Nc1sc(C)c(C)c1C#N 14595973 CMEBMNJDIOYGPR-UHFFFAOYSA-N 358.463 4.433 30 40 FIEB CSc1nc2n(n1)[C@H](c1cccc(Cl)c1)C1=C(CC(C)(C)CC1=O)N2 6677834 CFGVPMYXISUWMY-OAHLLOKOSA-N 374.897 4.312 30 40 FIEB Cc1cc(I)ccc1/N=C\c1cc(C)n(C)c1C 408780508 ZYYKAPYGMOYLLR-MFOYZWKCSA-N 352.219 4.306 30 40 FIEB CCCCCCCCNC(=O)C(=O)Nc1ccc(Br)cc1F 408706832 FQDVNBDBGXXJAI-UHFFFAOYSA-N 373.266 4.003 30 40 FIEB O=C(/C(=C/c1ccccc1O)n1cncn1)c1ccc(Cl)cc1Cl 4832805 AIWWEMYUASRHHD-CHHVJCJISA-N 360.200 4.172 30 40 FIEB N#Cc1ccc(NC(=O)c2cccc(OC[C@H]3CCCO3)c2)cc1Cl 26368329 DALOICZBNPYAGE-QGZVFWFLSA-N 356.809 4.022 30 40 FIEB Cc1oc2cc(OCC#N)ccc2c(=O)c1-c1ccc(Br)cc1 2411902 VKOWQNIYEJKXCL-UHFFFAOYSA-N 370.202 4.433 30 40 FIEB biogenic C[C@H](Nc1cc(C#N)c(C#N)cc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 4593562 SSCRIPTVQFSGHN-PGBBXINNSA-N 350.422 4.355 30 40 FIEB C[C@H]1CCC[C@@H](C)N1C(=O)Cn1cc(C#N)c2cc(Br)ccc21 6298925 VZEJKQKHUKWAFJ-BETUJISGSA-N 374.282 4.065 30 40 FIEB N#C[C@H](C(=O)C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1Cl 6513962 VWTGJKGXJRKZBQ-ZDUSSCGKSA-N 366.726 4.174 30 40 FIEB N#Cc1cc(SCc2ccccc2)c(-n2nnc3ccccc32)cc1C#N 8040464 ASELFDXRMZORSY-UHFFFAOYSA-N 367.437 4.456 30 40 FIEB Oc1ccccc1/C=N/c1cc(Br)c(O)c(Br)c1 8380020 IMLIXTYNPUHUFE-FRKPEAEDSA-N 371.028 4.373 30 40 FIEB CCOC(=O)/C(=C/n1c(=S)[nH]c2cc(C)ccc21)C(=O)c1ccccc1 8651905 TXSXNVQWEVIBNN-NTCAYCPXSA-N 366.442 4.294 30 40 FIEB N#Cc1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1 10421559 LODIQLIVCQAJAC-UHFFFAOYSA-N 369.380 4.384 30 40 FIEB C=CCOc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)ns2)cc1 11914928 FRRREGASEBYWEE-UHFFFAOYSA-N 351.431 4.331 30 40 FIEB O=C1N/C(=N\c2ccc(F)cc2)S[C@@H]1Cc1cccc(C(F)(F)F)c1 13583316 CKGXMIWILCXUKH-CQSZACIVSA-N 368.355 4.306 30 40 FIEB C=CCNC(=O)c1cc2c(C)nn(-c3cccc(C(F)(F)F)c3)c2s1 15424801 WMGHVHBRZYFLCO-UHFFFAOYSA-N 365.380 4.330 30 40 FIEB C=CCN(Cc1cccs1)C(=O)c1ccc2c(c1)NC(=O)CCS2 21930144 RPRDZQRXUFFRQC-UHFFFAOYSA-N 358.488 4.011 30 40 FIEB C=CCSc1ccccc1NC(=O)C1=NN(c2ccccc2)C(=O)CC1 24104240 DXUFWYXGASRQCE-UHFFFAOYSA-N 365.458 4.086 30 40 FIEB N#Cc1cccnc1N1CCN(Cc2ccc(-c3ccccc3)s2)CC1 26708906 BAKODMHIXMRUEU-UHFFFAOYSA-N 360.486 4.004 30 40 FIEB N#CCCN(C(=O)CN1CCC[C@@H]1c1ccccc1Cl)c1ccccc1 48289358 UOQQFTSWTMWOLC-HXUWFJFHSA-N 367.880 4.424 30 40 FIEB Cc1nn(-c2ccc(C(=O)Nc3ccccc3C#N)cc2)c(C)c1Cl 68233922 TUXFPYZDJKGIJC-UHFFFAOYSA-N 350.809 4.267 30 40 FIEB C=CCN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(SC)cc1 224983240 NPPFLEKRVNSTEX-UHFFFAOYSA-N 363.504 4.107 30 40 FIEB C=CCc1cc(/C=N\c2ccccc2OCC)cc(OC)c1OCC(=O)O 408820586 XAFLSQWZVDASPO-XKZIYDEJSA-N 369.417 4.036 30 40 FIEB CCOc1ccccc1/N=C\c1cc([N+](=O)[O-])cc(Br)c1O 409106911 PXKQMBIAPGUUDH-MFOYZWKCSA-N 365.183 4.212 30 40 FIEB CC/N=C1\S/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1CC 6634102 ZXMPKMIYHMFNFE-UGZHYMOWSA-N 371.418 4.167 30 40 FIEB C=CCOc1ccccc1/C=C1/SC(Nc2ccccc2F)=NC1=O 6856138 FBQUGCIHYDYOPI-SFQUDFHCSA-N 354.406 4.473 30 40 FIEB Cc1nccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)n1 58378847 ZZBAITQYMFYBTR-KRWDZBQOSA-N 362.820 4.346 30 40 FIEB Cc1cc(N2CCC[C@@H](C(F)(F)F)C2)n2c(nc3ccccc32)c1C#N 12540548 NPVACLPLWAJUKV-CYBMUJFWSA-N 358.367 4.446 30 40 FIEB COc1ccc(OC)c(/C=C2\S/C(=N\c3cccc(C)c3C)NC2=O)c1 16666285 SGOFNKQKTYSRFH-WQRHYEAKSA-N 368.458 4.212 30 40 FIEB C=CCn1c(SCc2nc(-c3ccc(Cl)cc3)no2)nnc1C1CC1 23273547 JKNROOKEEOZKAD-UHFFFAOYSA-N 373.869 4.337 30 40 FIEB Cc1ccc(NC(=O)COc2c(Cl)cc(/C=N/O)cc2Cl)cc1 409225918 SUCODWASSRFYGP-UFWORHAWSA-N 353.205 4.127 30 40 FIEB O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)CC/C1=C\c1ccc([N+](=O)[O-])cc1 17969943 WRYUFOKEOTWUFL-UKVBVZPVSA-N 350.330 4.333 30 40 FIEB CCOC(=O)c1sc(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)cc1C 3255899 SLEGZDCZGSRFNO-REZTVBANSA-N 368.798 4.251 30 40 FIEB CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C(Cl)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 4706216 HGPYPOGDCXQMFV-FDLPIURMSA-N 364.913 4.405 30 40 FIEB COC(=O)Nc1sc(N/N=C/c2ccc(O)cc2)nc1-c1cccs1 8868762 QXDHEOAXXUBOQF-RQZCQDPDSA-N 374.447 4.202 30 40 FIEB Cc1nn(-c2ccccc2)c2c1[C@H](c1cccnc1)C1=C(CCCC1=O)N2 13551977 REPMZQFDMXYIKQ-FQEVSTJZSA-N 356.429 4.140 30 40 FIEB CCc1ccc(/N=C2\S/C(=C/c3ccc(C(=O)O)cc3)C(=O)N2C)cc1 17075242 MJOBUCCHOSZYLY-MSYUKONTSA-N 366.442 4.181 30 40 FIEB CCOc1ccc(/C=C2\SC(=N)[C@@H](c3nccs3)C2=O)cc1OCC 34702328 FMLCLXJSFMEQEQ-OGFIELIUSA-N 374.487 4.358 30 40 FIEB C=CCOc1c(Br)cc(C(=S)N2CCCCC2)cc1OC 107780315 DTURJXFWHVGUSI-UHFFFAOYSA-N 370.312 4.184 30 40 FIEB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N/c1ccc(Br)cc1C 408740882 NIATWEYZYRSECC-YODDIOPGSA-N 370.250 4.499 30 40 FIEB Cc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1ccccc1Cl 408751280 YULJPRZKTWLJFB-FBHDLOMBSA-N 369.812 4.497 30 40 FIEB CCOC(=O)c1ccc(/N=C/c2cccn2-c2ccc(N(C)C)cc2)cc1 408955694 YOLYEAPFTOXZKQ-XQNSMLJCSA-N 361.445 4.471 30 40 FIEB CC[C@H]1S/C(=N\N=C\c2cccs2)N(Cc2ccccc2C)C1=O 34377568 LUNBIPKQPZWQIZ-CXDOIHPCSA-N 357.504 4.301 30 40 FIEB N=C1S/C(=C\c2cccc(Br)c2)C(=O)[C@@H]1c1nccs1 108218089 HVYRTFFVHSWVSQ-YHXJBOQGSA-N 365.277 4.323 30 40 FIEB Cc1ccc(-c2cnc(CCC(=O)N(CCC#N)Cc3ccco3)o2)cc1 58201377 NSILRHXHCHZWKJ-UHFFFAOYSA-N 363.417 4.118 30 40 FIEB C#CCOc1cccc([C@@H]2CC(O)=Nc3nc(N4CCCCC4)sc32)c1 36366019 ZZGZZXZDHXGFMW-INIZCTEOSA-N 367.474 4.269 30 40 FIEB N#Cc1c(NC(=O)c2cc(-c3cccs3)on2)sc2c1CCCC2 2497891 PZRZIVNNRZNRRY-UHFFFAOYSA-N 355.444 4.467 30 40 FIEB COC(=O)CSc1nc(-c2ccccc2)cc(-c2ccco2)c1C#N 17440313 ACIZZXXGRGTORB-UHFFFAOYSA-N 350.399 4.145 30 40 FIEB COc1ccc(/N=C\c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)cc1 409112523 DFIKQSYCGQWGEQ-MTJSOVHGSA-N 366.402 4.295 30 40 FIEB CC[C@@H](C)Oc1ccc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1OC 408589049 CSNWOZRQLLXAOY-MQMKENTISA-N 358.394 4.331 30 40 FIEB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)/C=C/c2ccco2)cc1 35684054 VDWDVIYIMZWVHT-JLHYYAGUSA-N 367.426 4.285 30 40 FIEB CC(C)(C)c1nc(/C(O)=N/CC2CCN(c3ccncc3)CC2)cs1 329109364 FVOQOXNOXPQXMD-UHFFFAOYSA-N 358.511 4.057 30 40 FIEB Cc1ccc(/C=N/c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)s1 96609282 REZSEEDHGLNFQU-CPNJWEJPSA-N 362.520 4.228 30 40 FIEB COc1cccc(NC(=O)CON=C2c3ccccc3-c3ccccc32)c1 5460002 WVINFUPIONNSEF-UHFFFAOYSA-N 358.397 4.083 30 40 FIEB Cc1ccc(C)c(/N=C2/NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)S2)c1 8410960 UFTUGZIRDNEGQJ-YBEGLDIGSA-N 353.403 4.103 30 40 FIEB Cc1cc(C)c(C#N)c(SCc2cc(=O)oc3cc(O)c(Cl)cc23)n1 11865323 HMWBIGUBQQZLKQ-UHFFFAOYSA-N 372.833 4.328 30 40 FIEB biogenic N#C[C@@]1(c2ccccc2)CCc2c(sc3ncnc(N4CCCC4)c23)C1 1069912 ZURIBAMFMJIGCE-OAQYLSRUSA-N 360.486 4.242 30 40 FIEB CCOc1ccc2nc(SCC(=O)Nc3cccc(C#N)c3)sc2c1 3283556 DDFJSYRUMWKGPQ-UHFFFAOYSA-N 369.471 4.297 30 40 FIEB C#CCn1c([C@@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2)nc2ccccc21 4033417 QRVHUSDHRDYCBU-GOSISDBHSA-N 357.457 4.115 30 40 FIEB COc1ccc2c(c1)CCc1sc(/N=C/c3cccc(OC)c3O)nc1-2 4351920 KBWFORUCHXMMKH-SRZZPIQSSA-N 366.442 4.382 30 40 FIEB O=C1/C(=C/c2cccc([N+](=O)[O-])c2)CC/C1=C\c1cccc([N+](=O)[O-])c1 4696588 KTEWMZVMTXIQMO-KAVGSWPWSA-N 350.330 4.333 30 40 FIEB CCO/C=N/c1c(C(=O)OCC)sc2nc3c(cc12)COC(C)(C)C3 4819659 LEPNEMXGWMDHDN-VXLYETTFSA-N 362.451 4.021 30 40 FIEB O=C(C1=C(O)C(=O)N(c2ccc(O)cc2)[C@H]1c1ccccc1)c1ccccc1 5491456 BYXCYOZKXQXYEV-FQEVSTJZSA-N 371.392 4.175 30 40 FIEB CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccccc1C#N 8072157 MIFWQQKQONQOFJ-UHFFFAOYSA-N 359.223 4.117 30 40 FIEB COc1ccc(C(=O)CSc2nc(-c3ccco3)ccc2C#N)cc1 12250975 KUKYOSVZHOKOCP-UHFFFAOYSA-N 350.399 4.197 30 40 FIEB C=CCn1c(=S)[nH]c2cc(C(=O)Nc3cc(C)cc(C)c3)ccc2c1=O 12607242 XYWCZHUGDJXOAP-UHFFFAOYSA-N 365.458 4.114 30 40 FIEB C[C@@H]1CCC[C@@H](C)N1C[C@@H](O)COc1ccc(/N=C/c2ccccc2)cc1 16514038 DCAKOVFISXHORD-GYGDVRJCSA-N 366.505 4.440 30 40 FIEB COc1ccc(/N=C/c2cc([N+](=O)[O-])cc(C)c2O)cc1Br 35999932 HIXDUZBWCORCJO-CAOOACKPSA-N 365.183 4.131 30 40 FIEB Cc1cc(C)cc(/N=C2\NC(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)S2)c1 59426755 NHVHMDLDQHMULU-YBEGLDIGSA-N 353.403 4.103 30 40 FIEB O=C(/C=C/c1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(N2CCCC2=O)cc1 95941588 KYSLYMSHLBJCMZ-ONNFQVAWSA-N 370.792 4.271 30 40 FIEB CCCCCCCCCCCCS(=O)(=O)NCCCCCC(=O)O 100922039 PEAKTPHKRMMXTC-UHFFFAOYSA-N 363.564 4.472 30 40 FIEB Cc1cc(/N=C/c2cc([N+](=O)[O-])ccc2O)c(O)c(Br)c1C 102417395 MWAFCZVEILMBLJ-REZTVBANSA-N 365.183 4.136 30 40 FIEB C=CCOC(=O)/C=C/c1cc(Cl)c(OCc2cccnc2)c(OC)c1 226337519 URIUGMIUSOPMQZ-VOTSOKGWSA-N 359.809 4.065 30 40 FIEB CCOC(=O)/C(=N/Nc1ccccc1Cl)N1CCCc2ccccc21 2204243 UEMYOSIJECCIBS-PYCFMQQDSA-N 357.841 4.081 30 40 FIEB COc1ccc(/C=N/N=C(/C(=O)c2ccccc2)c2ccccc2)cc1OC 3260946 VSJCKFLCOHNDJN-KIGCCDCASA-N 372.424 4.410 30 40 FIEB CCCCN(C(=O)COc1ccc(C#N)cc1)c1nc2ccccc2s1 3430093 WIJUYSZPHQXCJM-UHFFFAOYSA-N 365.458 4.380 30 40 FIEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@@H]3C[C@H]3O[C@]32[C@H](C)O)C1 4104866 MZXOXBBZTDJDKI-KNCNMQAWSA-N 374.521 4.009 30 40 FIEB biogenic,in-vitro CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@@H]1c1ccccc1C 4918296 SHSVYLNCWQMSEY-IRLDBZIGSA-N 364.441 4.323 30 40 FIEB CC(C)[C@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1ccc2c(c1)OCCCO2 6604719 ZFFCZHRXVWFILX-FQEVSTJZSA-N 367.405 4.437 30 40 FIEB CCOc1ccc(/N=C2\NC(=O)/C(=C\c3cc(Cl)ccc3O)S2)cc1 32138994 QYLSUJSTDNFCNP-MHWRWJLKSA-N 374.849 4.336 30 40 FIEB N#Cc1ccsc1NC(=O)CCSc1nccn1-c1cccc(F)c1 32869806 VCRFQXTXYKAUIF-UHFFFAOYSA-N 372.450 4.065 30 40 FIEB CCCC[C@@H](ON=C(C)C)C(=O)N[C@@H]1CCSc2c(F)cccc21 96004296 CQNNZBMWIGPGKQ-HZPDHXFCSA-N 352.475 4.450 30 40 FIEB O=C(/C=C(\Nc1cccc(Br)c1)c1ccncc1)C(F)(F)F 408738744 NNAJWLFAJIIRRS-LCYFTJDESA-N 371.156 4.429 30 40 FIEB CCc1nnc(S)n1/N=C/c1cc(C)n(-c2cccc(Cl)c2C)c1C 408878712 ALQXFXZDRUIHIN-KEBDBYFISA-N 373.913 4.381 30 40 FIEB C=CCc1ccccc1OC[C@H](O)CN1CCC(Cc2ccccc2)CC1 3865302 DJXJCBXVPWDVMI-HSZRJFAPSA-N 365.517 4.110 30 40 FIEB CN1/C(=C\C(=O)CSc2nnc(C(C)(C)C)[nH]2)C(C)(C)c2ccccc21 101992119 MNUHMAUOZFAJMT-WJDWOHSUSA-N 370.522 4.075 30 40 FIEB CC[C@H]1CCc2c(sc(NC(=O)c3ccc(OC)c(OC)c3)c2C#N)C1 998065 RMUVQCCLIOTODQ-LBPRGKRZSA-N 370.474 4.404 30 40 FIEB C/N=C1/S/C(=C\c2ccc(-c3cc(Cl)ccc3OC)o2)C(=O)N1C 1004239 SOQMQGSPBMBIRT-LYXOMWPRSA-N 362.838 4.141 30 40 FIEB COc1cc(C(=O)OCC#N)ccc1OCc1ccc(Cl)cc1Cl 3352945 SBAQBSMCEWSTSO-UHFFFAOYSA-N 366.200 4.261 30 40 FIEB C#CCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3 2299593 RGXPQGXDDCNAHK-UHFFFAOYSA-N 366.511 4.360 30 40 FIEB Cc1ccc(N[C@H](C)C(=O)Nc2sccc2C#N)cc1C(F)(F)F 8710939 IZIKTDYYGSJNDR-SNVBAGLBSA-N 353.369 4.386 30 40 FIEB COc1ccccc1-n1c(S[C@@H](C)C#N)nc2cc(Cl)ccc2c1=O 5080638 WRTCVTPNKXQOFY-NSHDSACASA-N 371.849 4.052 30 40 FIEB CC1CCN(c2nc(SCCCN(C)C)c(C#N)c3c2CCCC3)CC1 6759419 JFSZSWYLZGYOFR-UHFFFAOYSA-N 372.582 4.112 30 40 FIEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CCCC(=O)O)c2C#N)C1 5950867 MFEDSQMALVBNER-LBPRGKRZSA-N 362.495 4.354 30 40 FIEB COc1cc(/C=N/Nc2cccc([N+](=O)[O-])c2)ccc1OCCC(C)C 33042727 NHEUVHBWXTWTBI-DEDYPNTBSA-N 357.410 4.474 30 40 FIEB Cc1ccccc1N=C1NC(=O)/C(=C/c2cn(CC#N)c3ccccc23)S1 409375838 PUMNEJHZWITSJP-UNOMPAQXSA-N 372.453 4.365 30 40 FIEB COc1ccc(OC)c(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 409107224 RBOGWXZKUKFCJR-AWQFTUOYSA-N 369.299 4.077 30 40 FIEB O=[N+]([O-])c1cc(Br)c(O)c(/C=N\c2ccc3ncccc3c2)c1 85878700 XLKMITSXHKQGJF-OCKHKDLRSA-N 372.178 4.362 30 40 FIEB Cc1nc(S[C@@H](C)C(=O)Nc2ccc(C#N)cc2)n(CC(C)C)c1C 5152065 YYXLWSWWWKPPRH-HNNXBMFYSA-N 356.495 4.147 30 40 FIEB O=C1ON=C(c2ccccc2)/C1=C/c1ccc(OC(=O)c2ccccc2)cc1 4524990 DXQCGIUMPFTPMW-HKWRFOASSA-N 369.376 4.250 30 40 FIEB NC(=S)N/N=C/c1cc(Cl)ccc1OCc1cccc2ccccc12 6244099 QVLKIQBKNUWFIE-SSDVNMTOSA-N 369.877 4.239 30 40 FIEB COc1ccc2nc(SCC(=O)Nc3ccccc3C)c(C#N)cc2c1 862110 ZKKHJKLVDRCPSC-UHFFFAOYSA-N 363.442 4.154 30 40 FIEB C=CCOc1ccc(/C=C/C(=O)c2cc(OC)ccc2OC)cc1OC 7744851 JQVWRNOXFUKFRJ-RMKNXTFCSA-N 354.402 4.173 30 40 FIEB CC(C)OC(=O)CSc1nc2c(c([C@H]3CC=CCC3)c1C#N)CCC2 1087740 BYJMITRGJOUKAS-AWEZNQCLSA-N 356.491 4.309 30 40 FIEB C=CCNc1nc(C(=O)O[C@H](C)C(=O)c2ccc(C(C)(C)C)cc2)cs1 10134283 ZWNMRAOTUMPQJV-CYBMUJFWSA-N 372.490 4.467 30 40 FIEB Cc1cnn(-c2ccc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)cc2)c1 48830194 DKSFSWGAHJJXFW-INIZCTEOSA-N 370.334 4.085 30 40 FIEB COc1cccc(/C=C2\S/C(=N\c3ccccc3Cl)NC2=O)c1OC 13713887 AMCRMUKGQKGMDN-GDNBJRDFSA-N 374.849 4.249 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(F)cc2)C[C@@H]1c1cccc(F)c1 4918490 HFUFUUQCFHQVCX-QUCCMNQESA-N 356.368 4.284 30 40 FIEB C=CCN1C(=O)c2[nH]nc(-c3ccc(C)cc3O)c2[C@H]1c1ccc(C)cc1 8845758 TXLCMXKUTDQGLQ-OAQYLSRUSA-N 359.429 4.130 30 40 FIEB CC1=NOC(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 408947176 ZSEKOORXFHBSMX-CXUHLZMHSA-N 372.764 4.143 30 40 FIEB Cc1cc([N+](=O)[O-])ccc1N=C1NC(=O)/C(=C\c2cccc(Cl)c2)S1 408752535 JLNVHCDJQULBQE-OQLLNIDSSA-N 373.821 4.448 30 40 FIEB C=CCn1c(-c2ccc(C)cc2)cnc1SCC(=O)N1CCCCC1 44085711 BOUVIYIUSFVBAF-UHFFFAOYSA-N 355.507 4.149 30 40 FIEB O=[N+]([O-])c1cc(C=Nn2c(S)nnc2C2CCCCC2)ccc1Cl 253617015 WQIZGUINPGGJCO-UHFFFAOYSA-N 365.846 4.058 30 40 FIEB O=S(=O)(/N=C/C(Cl)(Cl)c1ccccc1)c1ccc(Cl)cc1 3173522 QMIDEGSWVGHJFE-VCHYOVAHSA-N 362.665 4.430 30 40 FIEB COc1ccc(OC)c(/C=C2/S/C(=N/c3ccc(C)c(C)c3)NC2=O)c1 16663110 LBJUBASKSLCJBU-WOJGMQOQSA-N 368.458 4.212 30 40 FIEB C/C(=N\O)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C 4744155 XRIBCZBNOYMDRN-ZJOUANJNSA-N 358.482 4.425 30 40 FIEB Cc1nn(-c2ccc(F)cc2F)c(C)c1/C=C1\Cc2c(O)cccc2C1=O 96297950 SVSULUSRJXWUEG-MDWZMJQESA-N 366.367 4.295 30 40 FIEB N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccccc2Cl)C1=O 409154118 JUFLXCQPWFEEGO-CXUHLZMHSA-N 354.818 4.448 30 40 FIEB Cc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1cccnc1 409102194 VFBVYINYIJHNGM-PGGKNCGUSA-N 359.355 4.349 30 40 FIEB N#C[C@@H](Cc1cccn1-c1cccc(Cl)c1)C(=O)NCc1ccccc1 44900994 XJFOIZOJXTZOJA-QGZVFWFLSA-N 363.848 4.129 30 40 FIEB CCC(C)(C)[C@@H]1CCc2nc(N=C(O)[C@@H]3CCc4nncn4C3)sc2C1 329177571 MWMCLTQPLRZILH-CHWSQXEVSA-N 373.526 4.126 30 40 FIEB C=CCOc1cccc(NC(=S)N[C@H](C)COc2ccc(OC)cc2)c1 225268057 GGUFPNFPISKHTM-OAHLLOKOSA-N 372.490 4.014 30 40 FIEB CCCCCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc(OCC)c1 100574526 XTTQENDSAZIQJG-LJQANCHMSA-N 374.481 4.227 30 40 FIEB C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)c1nc(C2CC2)no1 53824060 NAPUANMCOQFZTQ-CYBMUJFWSA-N 367.478 4.169 30 40 FIEB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@](O)(C#CCl)CC[C@@]43C)[C@@H]1CC[C@@H]2O 118914841 WEJOBCNWKXEZFL-QKSWPAOXSA-N 350.930 4.321 30 40 FIEB N#Cc1ccccc1NC(=O)COc1ccc(OCc2ccccc2)cc1 12792854 PKCFHOMREFUMTD-UHFFFAOYSA-N 358.397 4.155 30 40 FIEB C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(C)nc2c1c(C)nn2C 12940648 NHYRRZPFBXGFRL-UHFFFAOYSA-N 374.897 4.128 30 40 FIEB CCCC[C@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccccc1[N+](=O)[O-] 4626444 VRPWAJRKALCHQX-KBXCAEBGSA-N 374.437 4.096 30 40 FIEB CCc1ccc2nc(SCC(=O)NCc3ccccc3)c(C#N)cc2c1 4848913 QOHMNOFFKFVINR-UHFFFAOYSA-N 361.470 4.077 30 40 FIEB CO[P@@](=O)(C#Cc1ccccc1)[C@](O)(c1ccccc1)C(F)(F)F 2316790 JETBBCIKNHGVGW-GYCJOSAFSA-N 354.264 4.328 30 40 FIEB N#CC(Br)(C#N)[C@H](CC(=O)c1ccccc1)c1ccccc1 4177030 QPBJCLHLYWLQJX-MRXNPFEDSA-N 353.219 4.224 30 40 FIEB CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O 13629285 UYVNWCOJRFPOCV-WQRHYEAKSA-N 355.365 4.283 30 40 FIEB COc1cc(/C=C/C(=O)c2cc3ccccc3oc2=O)cc(Cl)c1OC 7714795 YQEILHJVGMZGGU-BQYQJAHWSA-N 370.788 4.360 30 40 FIEB COCCCN1C(=O)/C(=C/c2ccc(F)cc2)S/C1=N\c1ccccc1 408932803 FBYNTTBENGDNFM-JHRGVAJVSA-N 370.449 4.466 30 40 FIEB C=CCOc1ccc(NC(=O)C2(c3ccccc3)Cc3ccccc3C2)cn1 225931837 QYZCUQIAGYJUJQ-UHFFFAOYSA-N 370.452 4.322 30 40 FIEB C=CCSc1nnc(NC(=O)[C@H](C)Oc2ccc3ccccc3c2)s1 223310596 SJTMIEDDOMOUPI-LBPRGKRZSA-N 371.487 4.375 30 40 FIEB CCNc1ccc(C#N)cc1NC(=O)c1ccc(O[C@H]2CC2(F)F)cc1 528827112 WAUKODAMXABHQY-KRWDZBQOSA-N 357.360 4.029 30 40 FIEB CC(C)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1F 5444131 VJPAGYVEHVYYGO-GOSISDBHSA-N 353.393 4.060 30 40 FIEB O=[N+]([O-])c1ccc(N/N=C2/CCCC[C@@H]2c2ccccn2)c([N+](=O)[O-])c1 100844657 OXWJCYWFEMNOSV-YSYRGXBVSA-N 355.354 4.024 30 40 FIEB C/C(=N/Cc1ccco1)c1c(C)nn(-c2nc3ccccc3s2)c1O 101155724 KVZKQRJHGIFKAM-ODLFYWEKSA-N 352.419 4.098 30 40 FIEB N#Cc1ccc(C(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)cc1 2649322 OJBJRJQHQDGVAV-UHFFFAOYSA-N 353.377 4.169 30 40 FIEB CC/N=C1\S/C(=C\c2ccc(O)c(OC)c2)C(=O)N1C1CCCCCC1 992053 KXYWNIRPERNFKC-PQDITWEDSA-N 374.506 4.416 30 40 FIEB Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(N4CCCCC4)o3)S2)cc1 59138027 OUCALQNXTZOHDW-LGMDPLHJSA-N 367.474 4.470 30 40 FIEB C=CCOc1ccc(C2N3CC4(CCC)CN2CC(CCC)(C3)C4=O)cc1 19320559 MHPSRBCSYUVTLI-UHFFFAOYSA-N 368.521 4.037 30 40 FIEB biogenic CC(=O)C1=C(C)OC(C)=C[C@@]12Nc1cc(C)c(C)c(Br)c1O2 40546248 FSPDMWXSPGYZCO-KRWDZBQOSA-N 364.239 4.364 30 40 FIEB COc1ccc2cc(CN(C)C(=O)[C@H](C)Oc3ccc(C#N)cc3)ccc2c1 12974565 LSSZSLRUTDRJPH-INIZCTEOSA-N 374.440 4.146 30 40 FIEB COc1ccc2c(c1)[C@@H](C(=O)N(CC#N)c1ccc(Cl)cc1)CCC2 594053942 SGUOSBJYYRDNTH-SFHVURJKSA-N 354.837 4.325 30 40 FIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccccc2)cc1 9012491 LHVQAUUYSKOHFW-FQEVSTJZSA-N 370.408 4.173 30 40 FIEB C=CCOc1ccc(/C=C2/N=C(c3cc(Cl)ccc3OC)OC2=O)cc1 2173380 MCNIWRRFTQKFMJ-GZTJUZNOSA-N 369.804 4.258 30 40 FIEB COc1ccc(/C=C/C(=O)C2CC2)cc1COc1ccc([N+](=O)[O-])cc1 2765944 KFCBLCBBGIDWQJ-WTDSWWLTSA-N 353.374 4.175 30 40 FIEB biogenic,in-vitro CCOC(=O)/C(=N/Nc1cccc(C(F)(F)F)c1)N1[C@@H](C)CCC[C@H]1C 3182619 WSFXGMIVBPXEMZ-QVAKCACLSA-N 371.403 4.257 30 40 FIEB C=CCn1c(COc2ccc(CC)cc2)nnc1S[C@@H]1CCCCC1=O 3263056 RWTTZZMUSXZWCH-GOSISDBHSA-N 371.506 4.209 30 40 FIEB CCOC(=O)c1c(NC(=O)c2ccc(C#N)cc2)sc2c1CCCCC2 3893273 KZYWUBARBSLFDC-UHFFFAOYSA-N 368.458 4.318 30 40 FIEB C#CCn1c([C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)nc2ccccc21 4033271 JCIBGSSFUSPPBR-OAHLLOKOSA-N 363.848 4.152 30 40 FIEB Cc1ccc(-c2nnc(S)n2/N=C\c2ccccc2Br)cc1 4755036 QWWYZQPGCNKZMM-ZDLGFXPLSA-N 373.279 4.187 30 40 FIEB CN1/C(=C\C(=O)CSc2ccccc2C(=O)O)C(C)(C)c2ccccc21 4801705 YWIJTIGKAKYMJY-UNOMPAQXSA-N 367.470 4.358 30 40 FIEB CC(C)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(F)cc1 5444123 RASYCAOXNAPDJC-GOSISDBHSA-N 353.393 4.060 30 40 FIEB Cc1ccc(NC(=O)COc2c(Cl)cc(/C=N\O)cc2Cl)c(C)c1 8369134 WBAPMGOYYJULFC-ZBKNUEDVSA-N 367.232 4.436 30 40 FIEB CC(CC/C(=N/O)c1ccccc1)(CC/C(=N/O)c1ccccc1)[N+](=O)[O-] 18008563 SJOBLYMBGXOYQZ-FRRVGIRPSA-N 369.421 4.339 30 40 FIEB C[C@@H]1CCCN(Cc2c(O)ccc3c2O/C(=C\c2cccs2)C3=O)C1 20504033 QSIQANCMADLMDY-CCOVPTLTSA-N 355.459 4.302 30 40 FIEB biogenic C=CCn1c(C)cc(C(=O)COc2cccc(NC(=O)OCC)c2)c1C 20866953 PIFIMOXTUJIHCF-UHFFFAOYSA-N 356.422 4.121 30 40 FIEB CCN(Cc1ccc(C#N)cc1F)c1nc2cc(C)nn2c2ccccc12 95356630 RFJTUGVGEWFZNF-UHFFFAOYSA-N 359.408 4.228 30 40 FIEB C#C[C@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@@H](OC(C)=O)CC[C@H]32)C1 245240932 VHAGTEAFULKJNP-WAFLTVCXSA-N 358.522 4.325 30 40 FIEB C#CCOc1ccc2ccccc2c1/C=N/c1ccc(N2CCOCC2)cc1 408930883 DHNZVSWIBRSCLN-XIEYBQDHSA-N 370.452 4.439 30 40 FIEB COc1ccc([C@H](C#N)c2nc3ccccc3nc2N2CCCCC2)cc1 2209795 QFJLOZMNSCKLBW-SFHVURJKSA-N 358.445 4.284 30 40 FIEB C=CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C)cc1 4066176 QSUHGKQRKSOQAI-HXUWFJFHSA-N 365.473 4.328 30 40 FIEB Cc1ccc(N/C(=C\C(=O)c2ccc(Br)cc2)C(=O)O)cc1 4499357 AKJIVUFOVCGXCK-GDNBJRDFSA-N 360.207 4.021 30 40 FIEB C=CCSc1nsc(NC(=O)Nc2ccc(C(F)(F)F)cc2)n1 4898396 WXQNVUKJPDJPSW-UHFFFAOYSA-N 360.386 4.479 30 40 FIEB CCCC/N=C1\S/C(=C\c2ccc3c(c2)OCO3)C(=O)N1CCCC 5552266 NIAJLAMVBNUXEF-QTBWCZOLSA-N 360.479 4.288 30 40 FIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCc4ccccc4OC)[C@H]3C[C@H]12 12659774 REYKQEWDDZDTTM-OJKUXAQWSA-N 369.505 4.099 30 40 FIEB biogenic CC(C)=NNc1nc2cc(C)c(NC(=O)c3cccnc3)c(C)c2s1 72228750 GMWOAXXQTJSNRR-UHFFFAOYSA-N 353.451 4.368 30 40 FIEB N#C[C@@H]1[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 225666458 YCPCKJAXKFKTQH-HRCADAONSA-N 352.242 4.073 30 40 FIEB Cc1ccc(Cn2nc(Cc3cccc4ccccc34)c(C#N)c2N)cc1 225846052 QQENSVQJHZBYNM-UHFFFAOYSA-N 352.441 4.438 30 40 FIEB Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1/N=C/c1ccc([N+](=O)[O-])cc1 408977520 WGUKWHXTVORJMS-YBFXNURJSA-N 365.349 4.056 30 40 FIEB CN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N/C1CCCCC1 4797383 WNNZFFFYIPXLEN-SDWNIGSPSA-N 359.520 4.292 30 40 FIEB COc1cc(C(=S)N2CCCCC2)ccc1OCc1ccccc1C#N 6646150 BPYCQGAFADNSQE-UHFFFAOYSA-N 366.486 4.307 30 40 FIEB C=CCN1C(=O)[C@](O)(CC(=O)c2cc(C(C)C)ccc2C)c2ccccc21 4321081 HJBVBDLKOMSKEZ-QHCPKHFHSA-N 363.457 4.112 30 40 FIEB N#Cc1c(F)cccc1NC1CCN(c2nc3ccccc3s2)CC1 65947100 UBGBMJYGHAVQEC-UHFFFAOYSA-N 352.438 4.388 30 40 FIEB O=[N+]([O-])c1ccc(Oc2c(Cl)cc(/C=N/O)cc2Cl)c([N+](=O)[O-])c1 409079116 KGGSHZIYEGCDNO-OMCISZLKSA-N 372.120 4.410 30 40 FIEB CN(C)c1ccc(/C=C/C(=O)c2ccc3c(c2)OCC(C)(C)CO3)cc1 225372372 LXRNGDQBURXTMN-YRNVUSSQSA-N 351.446 4.446 30 40 FIEB N#Cc1c(OCc2ccc(Cl)cc2)nn(Cc2ccc(Cl)cc2)c1N 225840520 HZEWVOUCRPPUQU-UHFFFAOYSA-N 373.243 4.271 30 40 FIEB Cc1ccc(Cc2nc(SCc3ccc(F)cc3)nc(N)c2C#N)cc1 223673049 XKYXLVZRRHWCME-UHFFFAOYSA-N 364.449 4.261 30 40 FIEB CCOc1cc(/C=C2\S/C(=N/c3ccc(O)cc3)N=C2O)ccc1O 6464473 YNNOPKJFORHSCD-YBEGLDIGSA-N 356.403 4.228 30 40 FIEB Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2ccccc2)n1 1051148 XSLUVVQQOBJLET-UHFFFAOYSA-N 351.353 4.011 30 40 FIEB C=CCN(CC=C)C(=S)Oc1ccc(C(=O)Nc2ccc(F)cc2)cc1 4413721 QCJGKINZZWBINT-UHFFFAOYSA-N 370.449 4.416 30 40 FIEB COc1cccc(/C=C2\S/C(=N\c3ccc(Cl)cc3C)NC2=O)c1O 5006598 HSEJXYVRKSDXOA-DHDCSXOGSA-N 374.849 4.254 30 40 FIEB O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1cccc([N+](=O)[O-])c1 5201294 LKLJQQGAAVKYNB-NTEUORMPSA-N 359.794 4.140 30 40 FIEB C=CCn1c(SCc2cccc([N+](=O)[O-])c2)nnc1-c1ccc(F)cc1 6084818 RKJDSSFPUWOTCX-UHFFFAOYSA-N 370.409 4.471 30 40 FIEB COc1ccc(OC)c(NC(=S)N/N=C/c2cccc3ccccc23)c1 6403947 IKHYLZIWLCMACL-FYJGNVAPSA-N 365.458 4.178 30 40 FIEB CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccccc1OC)C2=O 9419734 LSNCIJHFSWGWTE-UNOMPAQXSA-N 367.401 4.152 30 40 FIEB CCCCOc1ccccc1/C=N/Nc1nc(C)c(C(=O)OCC)s1 12131082 OSUZZTIZVQATIG-XDHOZWIPSA-N 361.467 4.253 30 40 FIEB Cc1c(C#N)c(NC(=O)CN(C)Cc2ccccc2)n(C2CCCC2)c1C 12486908 SPCDJJABOGKNIG-UHFFFAOYSA-N 364.493 4.162 30 40 FIEB COc1cc(C#N)ccc1OCc1csc(COc2ccc(F)cc2)n1 12812339 JWYQCOIGMKNOKQ-UHFFFAOYSA-N 370.405 4.320 30 40 FIEB Cc1ccc(N/C(S)=C(/C(=O)c2ccc(F)cc2)[n+]2ccccc2)cc1 13081307 HVRZYBVQGWHGBU-UHFFFAOYSA-O 365.453 4.473 30 40 FIEB O=C1/C(=N\c2cccc(Cl)c2)c2ccccc2N1CN1CCCCC1 39191689 CWEVZYMLUVMXQV-QOCHGBHMSA-N 353.853 4.251 30 40 FIEB C=CCOc1c(Cl)cc(/C=C2\C(=O)ON=C2c2ccccc2)cc1OC 409090743 OFTHMYNNZFHBSU-GDNBJRDFSA-N 369.804 4.258 30 40 FIEB CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2ccc(C#N)cc2)CC1=O 3429782 NZOFZPHLIYOCEJ-RDJZCZTQSA-N 361.445 4.063 30 40 FIEB N#CCc1ccc(NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)cc1 5281348 WUGIRDZTNLYSTC-UHFFFAOYSA-N 370.408 4.001 30 40 FIEB CN(C)c1ccc(NC(=O)CON=C2c3ccccc3-c3ccccc32)cc1 14354296 DAIHDAZNVGKCTE-UHFFFAOYSA-N 371.440 4.141 30 40 FIEB Cc1nnc(NCc2ccc(N(C)c3ccccc3)c(F)c2)c(C#N)c1C 89556315 GZIDEWPVGXBWFK-UHFFFAOYSA-N 361.424 4.484 30 40 FIEB N#Cc1cccnc1N1CCN([C@H]2CCc3c(Cl)cc(Cl)cc32)CC1 89773279 JLCHMEJSIJJFFT-SFHVURJKSA-N 373.287 4.070 30 40 FIEB C=CCN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(OCC)cc1 224594424 HIJJZXOYBGJUAJ-UHFFFAOYSA-N 365.882 4.428 30 40 FIEB Cc1cc(/C=N/c2ccc(C(=O)O)cc2)c(C)n1-c1cccc([N+](=O)[O-])c1 59427109 MUWIESGZRONLBP-CIAFOILYSA-N 363.373 4.451 30 40 FIEB C=CCn1c(C)cc(-c2csc(NC(=O)Cc3c(C)noc3C)n2)c1C 10255913 DKTSYYRWQBAVGZ-UHFFFAOYSA-N 370.478 4.200 30 40 FIEB Cc1ccccc1OCc1nnc(SCCC#N)n1-c1ccccc1 6039319 YDAKZTVFSKYSSX-UHFFFAOYSA-N 350.447 4.161 30 40 FIEB COc1ccccc1-c1nnc(S[C@H](C)C#N)n1CCc1ccccc1 5362548 SOFKJDVUQNSRED-OAHLLOKOSA-N 364.474 4.201 30 40 FIEB O=C(/C=C/c1cc2ccccc2nc1N1CCOCC1)c1ccccc1F 14197480 GXBRMNLFRUJROP-MDZDMXLPSA-N 362.404 4.107 30 40 FIEB OCC/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1Cl 8156635 WKRVWOBWLWNXKO-SRZZPIQSSA-N 360.244 4.257 30 40 FIEB C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)Cc1ccsc1 8324492 QKSVEOMAQVIEDZ-CYBMUJFWSA-N 373.547 4.409 30 40 FIEB N#CCN(C(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1)C1CC1 517366056 WLEOPMUJRIJELZ-UHFFFAOYSA-N 366.364 4.442 30 40 FIEB COc1cc(/C=N/Nc2nc(-c3ccccc3)cs2)ccc1OCC#N 6441235 AEBWRAUIBZRICY-CIAFOILYSA-N 364.430 4.167 30 40 FIEB Oc1ccc(/C=N/N=c2/[nH]c(-c3ccc(Br)cc3)cs2)cc1 4975302 OCQDPGGHHMGCGL-GIJQJNRQSA-N 374.263 4.146 30 40 FIEB C=CCOC(=O)c1c(N)n(-c2ccccc2CC)c2nc3ccccc3nc12 5024640 QGFSSIQUGFBWMW-UHFFFAOYSA-N 372.428 4.061 30 40 FIEB O=C1/C(=C/c2cccs2)Oc2c1ccc1c2CN(Cc2ccco2)CO1 13691903 KJSIJJUPYRSTEM-NVMNQCDNSA-N 365.410 4.309 30 40 FIEB N=c1sc2nc3ccccc3nc2n1/N=C/c1ccc(Cl)cc1Cl 408721438 HWJALGOPTCNVBP-XSPBCJIVSA-N 374.256 4.314 30 40 FIEB CCOc1ccc(/C=N/c2ccc(O)cc2)cc1I 408903919 BEYBGEUJMYMOGZ-LICLKQGHSA-N 367.186 4.146 30 40 FIEB CN1CCc2c(sc(/N=C/c3cc(C(C)(C)C)ccc3O)c2C#N)C1 1241889 TWLSJXOOTDVYIZ-SSDVNMTOSA-N 353.491 4.361 30 40 FIEB CCSc1nc2n(n1)[C@H](c1ccccc1Cl)C1=C(CCCC1=O)N2 4436183 ZWTQGPGLDYDRRX-OAHLLOKOSA-N 360.870 4.066 30 40 FIEB CCCNC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1 9264210 FJIKQORRGFNPFY-HXUWFJFHSA-N 365.433 4.380 30 40 FIEB CC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C(C#N)(C#N)[C@@H]2C=Cc3ccccc3N12 13479756 CWLFGOPSWCIDPP-PWRODBHTSA-N 373.843 4.330 30 40 FIEB N#CCCn1c(=S)n(-c2ccccc2)c(=O)c2c3c(sc21)CCCC3 16493722 JJOZXYLUCLPELL-UHFFFAOYSA-N 367.499 4.376 30 40 FIEB CC[C@@H](CO)Nc1nc(SC)nc(-c2ccc(C(C)(C)C)cc2)c1C#N 19820405 XGDOITRYUIJOQE-HNNXBMFYSA-N 370.522 4.217 30 40 FIEB N#Cc1ccc(CN2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 22918426 FTHHBFQPQKVMQL-UHFFFAOYSA-N 360.288 4.183 30 40 FIEB COc1cc(C#N)ccc1OCCCC(=O)N[C@H](C)c1cccc(Cl)c1 32930868 MIWXYRMFUWOPAC-CQSZACIVSA-N 372.852 4.257 30 40 FIEB Cn1c(=O)c(/C=C2\SC(O)=N\C2=N\c2ccccc2)cc2ccccc21 85432496 WXTOVBTTYHESGN-ATVHPVEESA-N 361.426 4.270 30 40 FIEB C=CCSc1nnc(NC(=O)CCSc2ccc(C)cc2)s1 223081947 KBWWLKDHOZFZDJ-UHFFFAOYSA-N 351.522 4.246 30 40 FIEB Cc1ccc(C)c(COc2nn(Cc3ccc(Cl)cc3)c(N)c2C#N)c1 225840558 VLSCFPYQCSKBDZ-UHFFFAOYSA-N 366.852 4.235 30 40 FIEB O=C(O)/C(Cl)=C(\Cl)C=Nc1ccc(Oc2ccc(F)cc2)nc1 255004072 MEGFHEOSAVXXKS-JKJYPGQESA-N 355.152 4.489 30 40 FIEB O=C(COc1ccc(/C=N\O)cc1Cl)Nc1ccc(Cl)c(Cl)c1 408555031 VAHBTRXVEMHBLL-GXHLCREISA-N 373.623 4.472 30 40 FIEB COc1ccc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc1Cl 408776817 ZNPNUELSFLIICZ-OQLLNIDSSA-N 362.813 4.379 30 40 FIEB N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O 409159481 MQSINGVZQJRPIW-CXUHLZMHSA-N 354.818 4.448 30 40 FIEB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccco1 409313910 RDNQEAFHWKZMER-LLVKDONJSA-N 374.238 4.148 30 40 FIEB COCc1ccc(NC(=O)N[C@H](C)C2CCC(F)(F)CC2)cc1C#N 1616042947 XBBMVJHEVAKBCR-GFCCVEGCSA-N 351.397 4.040 30 40 FIEB CCOc1ccc(/N=C/c2ccc3c(c2N)C(=O)c2ccccc2C3=O)cc1 4575696 NQQSKFDYYPSORT-DHRITJCHSA-N 370.408 4.194 30 40 FIEB Cc1cc(N/N=C/c2ccccc2Cl)nc(NCc2ccccc2)n1 4856535 JCIFSCHJLFKSNT-LPYMAVHISA-N 351.841 4.497 30 40 FIEB COc1cc2ccc(/C=C/C(=O)c3ccc4c(c3)OCO4)cc2cc1OC 5352799 ZKQNNZBNOBQNEN-QPJJXVBHSA-N 362.381 4.482 30 40 FIEB C/C(=N\OCC(=O)Nc1ccccc1OC(F)F)c1cc2ccccc2o1 6052189 BQAUTXZVPRPGOZ-FSJBWODESA-N 374.343 4.414 30 40 FIEB Cn1c(SCc2ccccc2C#N)nc2sc3c(c2c1=O)CCCC3 6887333 DXBIOALQXAAZEZ-UHFFFAOYSA-N 367.499 4.038 30 40 FIEB Cc1nc(S[C@H](C)C(=O)Nc2cccc(C#N)c2)n(CC(C)C)c1C 8134455 UNKPOHFXQVKKBL-OAHLLOKOSA-N 356.495 4.147 30 40 FIEB O=C1C2=C(Nc3[nH]nc(O)c3[C@H]2c2c(F)cccc2Cl)c2ccccc21 18196142 GORHZSNFURHHTC-ZDUSSCGKSA-N 367.767 4.073 30 40 FIEB CC(C)c1ccc2nc(SCC(=O)NCc3ccco3)c(C#N)cc2c1 35311061 SKVHLJCOCMLJSS-UHFFFAOYSA-N 365.458 4.231 30 40 FIEB Cc1oc(-c2cccs2)nc1CC(=O)[C@H](C#N)c1nc2ccccc2[nH]1 41494756 ZIGWONTXKRTOGA-LBPRGKRZSA-N 362.414 4.007 30 40 FIEB C=CCCC(=O)Nc1ccc(NC(=O)[C@H](C)n2nc(C)cc2C)c(Cl)c1 60365139 FJSDJMTXSVNZCU-AWEZNQCLSA-N 374.872 4.258 30 40 FIEB COc1ccc(Cl)cc1NC(=O)/C(=C\c1ccc(F)cc1F)C(C)=O 96669588 HFCGMUUPWXBNHL-AUWJEWJLSA-N 365.763 4.238 30 40 FIEB C#CCOC(=O)/C=C/c1ccc(OCc2cccc(Br)c2)cc1 226332746 UFZIQTAXIDPADF-DHZHZOJOSA-N 371.230 4.218 30 40 FIEB COc1ccc2cc(/C=N/NC(=S)Nc3ccccc3)c(Cl)nc2c1 408840383 FQYAWJMIZXIJGZ-RGVLZGJSSA-N 370.865 4.217 30 40 FIEB C#CCOc1c(CC=C)cc(CNc2ccc(OC)cc2)cc1OCC 409112242 FMWTVINTWMLPOH-UHFFFAOYSA-N 351.446 4.447 30 40 FIEB CCN(CC)c1ccc(/N=C/c2ccc(N3CCOCC3)c(F)c2)cc1 409127789 JWRRIFPCYKCFFW-XQNSMLJCSA-N 355.457 4.259 30 40 FIEB C=C(C)COc1cc2oc(=O)c(CCC(=O)OCC)c(C)c2cc1Cl 2393667 IQGNFFWMAIROBJ-UHFFFAOYSA-N 364.825 4.205 30 40 FIEB CCc1cc(C(=O)O[C@@H](C)C(=O)N(CCC#N)c2ccccc2)sc1C 23939144 SBTKQGJKJHNTFJ-AWEZNQCLSA-N 370.474 4.111 30 40 FIEB CC(=O)[C@H]1[C@H](c2ccc(Cl)cc2)C(C#N)(C#N)[C@@H]2c3ccccc3C=CN21 35489182 YNXUKJJNRDKGES-ACRUOGEOSA-N 373.843 4.456 30 40 FIEB C=C(Br)CSc1nnc2c(Cl)cc(C(F)(F)F)cn12 59928606 YLPNFWZUAUDKFC-UHFFFAOYSA-N 372.597 4.402 30 40 FIEB Cc1nc(-c2ccco2)nc2sc(C(=O)N(C)C3(C#N)CCC3)c(C)c12 67683312 SEVURRGBTPVLFH-UHFFFAOYSA-N 366.446 4.086 30 40 FIEB COCc1ccccc1NC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C 77314858 VFRSLZGURGSELX-UHFFFAOYSA-N 359.429 4.365 30 40 FIEB CCOc1cc(/C=N\O)cc(Br)c1OCc1cccc(F)c1 100250317 HAYCTPGCEYDLHU-OCKHKDLRSA-N 368.202 4.374 30 40 FIEB C[C@H](NP1(=O)OCC(C)(/N=C\c2ccccc2)CO1)c1ccccc1 104080500 WIHUNSNLHKQZMN-BIOIPCCVSA-N 358.378 4.370 30 40 FIEB N#Cc1c(N)nc(SCc2ccc(F)cc2)nc1Cc1cccc(F)c1 223677457 VEYOHLKEMGXGJO-UHFFFAOYSA-N 368.412 4.092 30 40 FIEB Cc1ccc(/N=C\c2ccc(O)c(I)c2)c(C)c1 408904095 DPIIOUHJQGJMOC-MFOYZWKCSA-N 351.187 4.364 30 40 FIEB O=[N+]([O-])c1cccnc1N/N=C/c1cccc(OCc2ccc(F)cc2)c1 409065452 LWHQFMGLFWADQE-WSDLNYQXSA-N 366.352 4.154 30 40 FIEB CC(=O)Nc1ccc2c(c1)/C(=N/c1ccc(C(=O)O)cc1)c1ccccc1-2 3953903 GWEBVBWBASDHFZ-DARPEHSRSA-N 356.381 4.493 30 40 FIEB in-vitro C=CCOc1ccc(/C=C2/SC(=S)N([C@H](C)CC)C2=O)cc1OC 6002994 SEAWLBUCZHCPCH-PILJQMSFSA-N 363.504 4.260 30 40 FIEB N#Cc1ccccc1NC(=O)c1cccc(OCCOc2ccccc2)c1 8563470 IZLOPXQNTVKXLU-UHFFFAOYSA-N 358.397 4.268 30 40 FIEB Cc1ccc(CN(c2ccccc2)S(=O)(=O)c2ccc(C#N)cc2)cc1 12797786 GRQAMTCHGVNORX-UHFFFAOYSA-N 362.454 4.262 30 40 FIEB COc1ccc(/C=C/C(=O)c2cc3c(C)cc(=O)oc3c(C)c2O)cc1 12893621 MXQWQOSZAIBFAO-RMKNXTFCSA-N 350.370 4.020 30 40 FIEB biogenic N#Cc1cccc(/C=C2\CCOc3ccc(Br)cc3C2=O)c1 13017064 OZXYSLHIJCJODL-NTEUORMPSA-N 354.203 4.370 30 40 FIEB C=CCSc1nnc(NC(=O)CSCc2ccc(Cl)cc2)s1 16008318 CFQRTQTWMDXIIF-UHFFFAOYSA-N 371.940 4.342 30 40 FIEB COC(=O)c1ccc(/C=C2\S/C(=N/c3ccccc3Cl)NC2=O)cc1 16692419 BPSOQZOTWRTTOR-GDNBJRDFSA-N 372.833 4.018 30 40 FIEB Cc1ccccc1[C@@H](OC(=O)[C@@H](C)Oc1ccc(C#N)cc1)C(F)(F)F 24929704 JBGZKJJJACTVJP-CXAGYDPISA-N 363.335 4.481 30 40 FIEB O=C1/C(=N\O)c2c(Cl)cccc2N1CCOc1cccc2ccccc12 46085214 JEFYXPRBICEQFI-QOCHGBHMSA-N 366.804 4.097 30 40 FIEB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1sc(C)c(C)c1C#N 100903193 PCPXKZRNFCXYCL-YVLHZVERSA-N 350.447 4.264 30 40 FIEB C=CCOc1ccc(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1 225289999 DXYLCRCGNJVIDS-UHFFFAOYSA-N 361.445 4.365 30 40 FIEB C=CCc1cc(/C=N\c2ccc(Cl)cc2)cc(OC)c1OCC(=O)O 408850738 DKQPFCVDJVNKGK-NHDPSOOVSA-N 359.809 4.291 30 40 FIEB C/N=C1/S/C(=C\c2ccc(OCc3cccc(C)c3)cc2)C(=O)N1C 408851768 NTHDFELRFWPCGG-UMWYYCSLSA-N 352.459 4.106 30 40 FIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(C)Cc4ccccc4)[C@H]3C[C@@H]12 4073536 GZTKHMWCEUGWEE-ZFVIQDPVSA-N 353.506 4.433 30 40 FIEB biogenic O=C1COc2ccc(C(=O)/C=C/c3ccc(-c4ccccc4F)o3)cc2N1 9111980 KCACUDZHYFIURT-SOFGYWHQSA-N 363.344 4.313 30 40 FIEB C=CCNC(=O)c1ccccc1NC(=O)CSCc1ccccc1Cl 27393095 JUMVHUJJQKVOQU-UHFFFAOYSA-N 374.893 4.128 30 40 FIEB CCCNc1c(/N=C(\O)Nc2cccc(OC)c2)c(=O)oc2ccccc12 28048845 CLCBXTVOSPFQKZ-UHFFFAOYSA-N 367.405 4.281 30 40 FIEB Cc1nn(-c2ccccc2)c(C)c1/C=C1/SC(=Nc2ccccc2)NC1=O 408998434 JDPSUNNFCHBDIH-CPNJWEJPSA-N 374.469 4.381 30 40 FIEB CCCCCCCCCCNS(=O)(=O)c1ccc(C)c(C(=O)O)c1 226858632 XPBDUDWBTFPVFD-UHFFFAOYSA-N 355.500 4.112 30 40 FIEB C=CCN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(OCC)cc1 224593576 FDJPHLRMGDIBTM-UHFFFAOYSA-N 365.882 4.428 30 40 FIEB CC(=O)Nc1cc(Cl)c(/N=C/c2ccc3c(c2)OCO3)cc1Cl 3148608 YOVFRRBOFYPTET-FBCYGCLPSA-N 351.189 4.431 30 40 FIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCc4ccc(F)cc4)[C@H]3C[C@@H]12 12660024 LRVWHXPTQLKMLD-VRRLNDPFSA-N 357.469 4.230 30 40 FIEB biogenic Cc1ccccc1C(=O)O/N=C1\C(=O)N(c2ccccc2)c2ccccc21 1403282 KOKRLKNMCNPLHN-ATJXCDBQSA-N 356.381 4.234 30 40 FIEB O=C(C1=C(O)C(=O)N(c2cccnc2)[C@@H]1c1ccc(F)cc1)c1ccccc1 9089491 MFCQEJZXBBIFNH-LJQANCHMSA-N 374.371 4.004 30 40 FIEB Cc1c(/N=C/c2sc3ccccc3c2O)c(=O)n(-c2ccccc2)n1C 783189 ZASAYZWVTFXHHU-CIAFOILYSA-N 363.442 4.155 30 40 FIEB Cc1cccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@H](C)C3)c1 6860281 BILRBWSRBJSABJ-LBPRGKRZSA-N 369.515 4.180 30 40 FIEB COc1cc(C#N)ccc1Oc1nc(-c2cccnc2)nc2ccccc12 8063489 WJVPPNAMYLEKIU-UHFFFAOYSA-N 354.369 4.364 30 40 FIEB C/N=C(\S)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccc(N(C)C)cc1 13522778 DRGNTWYQJADYTL-IBGZPJMESA-N 352.507 4.128 30 40 FIEB C=CCn1c(S[C@H](C)C(C)=O)nc2scc(-c3ccccc3)c2c1=O 15276983 QGMNSSREAMFPKI-CYBMUJFWSA-N 370.499 4.381 30 40 FIEB CNc1oc(-c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)nc1C#N 36366075 KEVPZTPUZBXTMY-UHFFFAOYSA-N 357.369 4.337 30 40 FIEB NC(=O)c1c(/N=C/c2ccc(Br)cc2)sc2c1CCCC2 59383376 SHYHBVKSANTVTB-DJKKODMXSA-N 363.280 4.239 30 40 FIEB Cc1noc2c1[C@@H](c1ccc([N+](=O)[O-])cc1)C1=C(CC(C)(C)CC1=O)N2 72332303 CTKHVQMZAZBSQB-MRXNPFEDSA-N 353.378 4.092 30 40 FIEB C=CCNC(=O)C1(Cc2ccc(-c3ccccc3OC)cc2)CCOCC1 585164876 WRSILYMJWSWLIZ-UHFFFAOYSA-N 365.473 4.004 30 40 FIEB Cc1cccc(C(=O)/N=C(\Nc2ccccc2)Nc2nc(C)cc(C)n2)c1 642815 GHTPGYPBJZTFGR-UHFFFAOYSA-N 359.433 4.122 30 40 FIEB C#CCSc1nc2c(c(=O)n1CC)C1(CCCCC1)Cc1ccccc1-2 2181967 FJUPFBPIDKVUTN-UHFFFAOYSA-N 364.514 4.414 30 40 FIEB biogenic COc1cc(OC)cc(C(=O)Nc2sc3c(c2C#N)C[C@@H](C)CC3)c1 4070073 DPVGCPUZLABNKI-NSHDSACASA-N 356.447 4.014 30 40 FIEB CCC(=N/N=c1/[nH]c2ccccc2s1)/N=N/c1ccc(C(=O)OC)cc1 4099392 BJPXXRGACGPJAX-WFOXIITASA-N 367.434 4.424 30 40 FIEB CCOC(=O)[C@@H](CC)Sc1cc(C)c(C#N)c2nc3ccccc3n12 7134847 WRWJQFMYJCREPJ-MRXNPFEDSA-N 353.447 4.101 30 40 FIEB CC(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@@H]3c2ccco2)cc1 9109543 KMHZNNHFQPXVGB-HRAATJIYSA-N 374.444 4.410 30 40 FIEB CSc1ccc(-c2cc(-c3ccc4c(c3)OCO4)[nH]c(=O)c2C#N)cc1 12371910 UQLLMTNEKDIRHJ-UHFFFAOYSA-N 362.410 4.031 30 40 FIEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cccc(F)c1 12652854 RPGMPEIFNIZHQU-LJQANCHMSA-N 363.392 4.194 30 40 FIEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3ccccc3F)c2)c1 12805980 VLEPBGSOAYSATD-UHFFFAOYSA-N 373.383 4.264 30 40 FIEB C#Cc1cccc(NC(=O)c2cc(-c3ccccc3)nc3onc(C)c23)c1 12903126 IXSFFIPQUCETIJ-UHFFFAOYSA-N 353.381 4.432 30 40 FIEB C[C@H](c1cc2ccccc2o1)N(C)CC(=O)N(CCC#N)c1ccccc1 36396313 VHDVSVWGAABSPJ-QGZVFWFLSA-N 361.445 4.372 30 40 FIEB COc1cc(/C=C/C(=O)c2ccc(C(F)(F)F)cc2)cc(OC)c1O 40140027 GJEROGSQHHOIOI-FPYGCLRLSA-N 352.308 4.324 30 40 FIEB C#CCN(Cc1ccc(C)cc1)C(=O)NCc1ccccc1OC(C)C 58165850 CUNVXIMVZFFVBN-UHFFFAOYSA-N 350.462 4.127 30 40 FIEB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CCCCC#N)CC2 58340403 JHFTWDVCBPMITD-QFIPXVFZSA-N 350.462 4.345 30 40 FIEB Cc1ccc([C@@H](CNc2oc(-c3ccccc3C)nc2C#N)N(C)C)o1 72238481 FJWPRBGXCQLDLB-QGZVFWFLSA-N 350.422 4.138 30 40 FIEB CCCC[C@H](ON=C(C)C)C(=O)N[C@@H]1CCSc2c(F)cccc21 96004295 CQNNZBMWIGPGKQ-CVEARBPZSA-N 352.475 4.450 30 40 FIEB C=CCn1c(-c2cc(OC)ccc2OC)cs/c1=N/c1cccc(O)c1 102929256 GRTOUYIRJPZQLC-QZQOTICOSA-N 368.458 4.358 30 40 FIEB C=CCc1cc(/C=C2\SC(=N)[C@H](c3nccs3)C2=O)cc(OC)c1O 136744009 FURRKIOIDLSMNH-FQIZWOSPSA-N 372.471 4.004 30 40 FIEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCc1cccc2cccnc12 29888157 XEOLBKGDJPUGGH-UHFFFAOYSA-N 357.369 4.156 30 40 FIEB CC1=C(C(=O)c2ccc(Cl)cc2)[C@@H](c2cc(C)ccc2C)NC(=O)N1 6046522 NADNAPCXPPUEIN-GOSISDBHSA-N 354.837 4.468 30 40 FIEB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/Nc1nncc2ccccc12 6947725 OQXYIVGSHAJEDR-WSDLNYQXSA-N 362.824 4.223 30 40 FIEB CC(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@H]3c2ccco2)cc1 9109542 KMHZNNHFQPXVGB-KKSFZXQISA-N 374.444 4.410 30 40 FIEB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/c2ccc(O)cc2)cc1 3112555 STQMZXKRKHHOOQ-KGENOOAVSA-N 367.426 4.219 30 40 FIEB COC(=O)C1=C(C)N(c2ccc(Cl)cc2)/C(=C/c2cccs2)C1=O 18028791 AUSRNKVHPZSTFD-XNTDXEJSSA-N 359.834 4.279 30 40 FIEB CCOc1ccccc1-c1nnc(SCc2ccc(C#N)cc2F)o1 11536734 LPPRGXTYIQTMFY-UHFFFAOYSA-N 355.394 4.438 30 40 FIEB CCCNc1c(N/C(O)=N/Cc2ccc(F)cc2)c(=O)oc2ccccc12 28048680 VKHRALJTXQJZFT-UHFFFAOYSA-N 369.396 4.280 30 40 FIEB Cc1ccc(N=C2NC(=O)/C(=C\c3ccccc3[N+](=O)[O-])S2)cc1C 408730617 SDSOJUWPGITRDQ-MHWRWJLKSA-N 353.403 4.103 30 40 FIEB O=C(/C=N/OCc1cccc(C(F)(F)F)c1)Nc1ccc(F)cc1F 72272666 ZEALMARWEZYKLP-GZIVZEMBSA-N 358.266 4.125 30 40 FIEB C/C(=N/N1CCN(Cc2ccc(C)cc2C)CC1)c1ccc(Cl)cc1 28351325 DZNPUQMLACPZNK-NKFKGCMQSA-N 355.913 4.499 30 40 FIEB C=CCNC(=O)c1ccccc1NC(=O)[C@H](C)Sc1ccc(Cl)cc1 69519324 ODLQVHBVPPAPHI-ZDUSSCGKSA-N 374.893 4.375 30 40 FIEB COc1cc(N2CCCC2)c(OC)cc1/C=N/c1ccc(NC(C)=O)cc1 409093744 AVSDWJUQWNEXML-HYARGMPZSA-N 367.449 4.013 30 40 FIEB C=CCCCC(=O)CCC[C@@H](C)OC(=O)c1c(O)cc(OC)cc1OC 39030853 GIQVBZLNKRMWBN-CQSZACIVSA-N 364.438 4.050 30 40 FIEB in-vitro C=CCn1c(Cc2ccc(OC)cc2)nnc1SCc1ccccc1 32604304 NSWQORNCYDSIQX-UHFFFAOYSA-N 351.475 4.356 30 40 FIEB CCOc1cc(/C=N/n2c(C)n[nH]c2=S)ccc1OCc1ccccc1 5236530 AZOONBGMLLITON-UDWIEESQSA-N 368.462 4.109 30 40 FIEB Cc1cc(O)c(CN2CCCC[C@H]2C)c2c1C(=O)/C(=C/c1cccnc1)O2 20573555 NNLQXPDVNZVONW-MXDDHBLUSA-N 364.445 4.086 30 40 FIEB Cc1ccc(Cn2nc(C)c(/C=C3\Oc4cc(O)ccc4C3=O)c2C)cc1 32853630 SZPAPQHQSNUUOH-NHDPSOOVSA-N 360.413 4.178 30 40 FIEB CC1(C)[C@]2(C(=O)Nc3ccccc3Br)CC[C@]1(C)/C(=N/O)C2 100867655 NOVLIIYOFSFRKJ-JVCUKQJDSA-N 365.271 4.434 30 40 FIEB COc1ccccc1NC(=S)N/N=C/c1c(Cl)cccc1Cl 3263985 ZNBWWIJRLQJVBI-GIJQJNRQSA-N 354.262 4.323 30 40 FIEB COc1cc(/C=C/C(=O)Nc2ccc(F)c(Cl)c2)ccc1OCC#N 3360378 YUTBANDBYRLNOX-XVNBXDOJSA-N 360.772 4.042 30 40 FIEB Cc1ccc(-c2nc(C#N)c(NC[C@@H](c3cccs3)N(C)C)o2)cc1 27793012 ORAVEMILNGPBBU-INIZCTEOSA-N 352.463 4.298 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(OC)c2)C[C@H]1c1cccs1 4919328 ZTBROBNFCNPTCZ-LPHOPBHVSA-N 356.443 4.076 30 40 FIEB C=CCSc1ccccc1NC(=O)COc1ccc(C(C)=O)cc1OC 9691149 SNNNOLOJTDEAES-UHFFFAOYSA-N 371.458 4.193 30 40 FIEB COc1ccccc1/C=N/c1c(C)nn(-c2ccc([N+](=O)[O-])cc2)c1C 408975278 LRNRBIKWPLEQKV-UDWIEESQSA-N 350.378 4.157 30 40 FIEB CCOc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc1Br 408910172 JJLJIXHTQNCPAZ-YVLHZVERSA-N 364.199 4.202 30 40 FIEB O=[N+]([O-])c1ccc(N/N=C\c2ccccc2OCc2ccc(F)cc2)nc1 408910920 LYTQUTPBKNVLLF-JJFYIABZSA-N 366.352 4.154 30 40 FIEB C=CCN(Cc1cccs1)C(=O)/C=C/c1cc(Cl)c2c(c1)OCO2 32722599 QQTDFIXAYTUOIB-AATRIKPKSA-N 361.850 4.358 30 40 FIEB N#Cc1cc2c(nc1SC[C@H](O)CSCc1ccccc1)CCCC2 5424346 RXGFUJWAZDRWCG-GOSISDBHSA-N 370.543 4.218 30 40 FIEB Cc1nnc(C)n1/N=C/c1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 7781765 LFNNIGUIWJDQDH-VXLYETTFSA-N 371.784 4.131 30 40 FIEB N#Cc1ccc(OCC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)cc1 7890497 AOTNXSKAMMKRJH-HXUWFJFHSA-N 366.417 4.043 30 40 FIEB C#CCNC[C@@H]1C=C(C)[C@H](Cc2nnc(-c3ccccc3)o2)C[C@H]1C(C)C 30882843 WYWXEXOYHJHNAA-ACRUOGEOSA-N 363.505 4.357 30 40 FIEB biogenic,in-vitro CCCCCCCCNC(=S)N1CCN(c2cccc(OC)c2)CC1 100339566 CIRDZLOMSIYTCW-UHFFFAOYSA-N 363.571 4.052 30 40 FIEB O=C(COc1ccc(/C=N\c2ccc(Cl)cc2)cc1)NCc1ccco1 100397913 BWYITIXNVQYCBP-UUYOSTAYSA-N 368.820 4.379 30 40 FIEB Cc1nn(C)c(C)c1[C@H](C)/C(O)=N/[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 328846379 AKSSQVITZMTLEM-OEPMTFCVSA-N 374.916 4.196 30 40 FIEB CC[C@@H]1CCc2c(sc(NC(=O)c3cc(OC)cc(OC)c3)c2C#N)C1 994757 KDNBJJFZOPJVTD-GFCCVEGCSA-N 370.474 4.404 30 40 FIEB CC(=O)O[C@@]1(C(C)=O)CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 1713836 URXWVWVPMJSAJD-DTILQVPTSA-N 370.489 4.185 30 40 FIEB biogenic CCC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccccc1[N+](=O)[O-] 5605298 XWGACWYZPPKCOU-IBGZPJMESA-N 374.396 4.142 30 40 FIEB CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1OC 6149718 HUXDIZHVGAOCBV-LJQANCHMSA-N 365.429 4.074 30 40 FIEB C=C(C)COc1ccc2c(c1)O/C(=C\c1ccc(OC)c(OC)c1)C2=O 12662776 IWTYAQOWCQYMSE-JMIUGGIZSA-N 352.386 4.275 30 40 FIEB biogenic COc1ccc(C(=O)/C=C/c2cccc(F)c2)cc1CSCC(=O)O 12760252 UZROSCRZZYGSNI-FNORWQNLSA-N 360.406 4.048 30 40 FIEB COc1ccc(/C=C/c2nc(C#N)c(N3C[C@@H](C)C[C@@H](C)C3)o2)cc1OC 16768424 MJDZCUALLAUPBV-WVOQPWCKSA-N 367.449 4.216 30 40 FIEB Cc1cc(C(=O)[C@H](C#N)c2nc3ccccc3o2)c(C)n1-c1cccnc1 59590464 VDEMAWVKXQWTRW-KRWDZBQOSA-N 356.385 4.120 30 40 FIEB C#CCOc1c(CC=C)cc(/C=N/OCc2ccccc2C#N)cc1OCC 408596265 QTXQTWLWRKPOOY-PCLIKHOPSA-N 374.440 4.248 30 40 FIEB Oc1c(Cl)cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1Cl 409032245 MBRXNUQHMHFFDP-DYUKFFQPSA-N 373.055 4.413 30 40 FIEB Fc1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1N1CCCC1 409064814 FRPRIFGNTDXHEW-XQNSMLJCSA-N 353.441 4.013 30 40 FIEB COc1cccc(NC(=O)CSc2nc3ccc(C)cc3cc2C#N)c1 933872 GQBFHVYKBSISBR-UHFFFAOYSA-N 363.442 4.154 30 40 FIEB O=C(C1=C2NC(=O)c3ccccc3N2Cc2ccccc21)c1ccccc1F 1806952 YXARHSZGHCFDNP-UHFFFAOYSA-N 370.383 4.141 30 40 FIEB CC(=O)NCc1ccc(C(=O)/C=C/c2cccc(C(F)(F)F)c2)s1 8752394 RLGHPWJJUBHCBC-FNORWQNLSA-N 353.365 4.299 30 40 FIEB CS/C(=N\c1ccccc1)N/N=C/c1cc(Br)ccc1O 4587809 FWSOQVMGAAXCNA-LICLKQGHSA-N 364.268 4.129 30 40 FIEB CCOC(=O)C1=C(C)/C(=N\Nc2cc(C(F)(F)F)ccc2Cl)N=C1C 5457527 BYBJRXKTHXFWPA-OEAKJJBVSA-N 373.762 4.438 30 40 FIEB N#Cc1ccccc1CO/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 408597434 ZLYCIDKVFNDEPN-FSJBWODESA-N 374.356 4.204 30 40 FIEB CC(C)[Si](c1ncc(B2OC(C)(C)C(C)(C)O2)s1)(C(C)C)C(C)C 198004231 ZNEZXNSVTBKUIP-UHFFFAOYSA-N 367.440 4.328 30 40 FIEB C=CCOc1ccc(Cl)cc1C(=O)Nc1cc2c(cc1C)OCCO2 12196382 GVTCAAQWVPNKIM-UHFFFAOYSA-N 359.809 4.237 30 40 FIEB C[C@H]1CCc2c(sc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)c2C#N)C1 1959712 OPOYQKDWAZBFKC-WMADIVHISA-N 367.430 4.305 30 40 FIEB CN(C)c1ccc(/C=N/NCc2ccccc2Cl)cc1Br 8811504 LVHPKANEUMVVRU-VXLYETTFSA-N 366.690 4.292 30 40 FIEB Cc1ccc(/N=C/c2ccc(O)cc2O)cc1/N=C/c1ccc(O)cc1O 3236647 CFGCLZLVOJZMHQ-LCHFAGMQSA-N 362.385 4.319 30 40 FIEB Cc1ccc2nc(CNc3cccc(C#Cc4cccs4)c3)cc(=O)n2c1 44759100 ITOHOQSUIWRFRE-UHFFFAOYSA-N 371.465 4.076 30 40 FIEB COc1ccc([C@H](C)/N=C/c2cc(Br)ccc2O)cc1OC 57411957 VQTHZYYGRAJUFY-VSMYLPJWSA-N 364.239 4.352 30 40 FIEB N#Cc1ccc(/C=C2\CCOc3cc(Br)ccc3C2=O)cc1 82077340 GSNRBHHYVGCSRV-NTEUORMPSA-N 354.203 4.370 30 40 FIEB N#C[C@@H](NCc1cccc(CN[C@@H](C#N)c2ccccc2)c1)c1ccccc1 31870881 GDUKSZNPUNHGQE-PSWAGMNNSA-N 366.468 4.396 30 40 FIEB CCc1ccc2c(c1)/C(=N/Nc1ccc(C)c(C)c1)C(=O)N2C1CSC1 223725412 JJNKDTRJXYQVKS-ATJXCDBQSA-N 365.502 4.144 30 40 FIEB C=CCN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(F)c1 225107821 BBSSHGJMZUQXJV-UHFFFAOYSA-N 369.845 4.177 30 40 FIEB Cc1cccc(C)c1OC[C@H](O)CON=C1c2ccccc2-c2ccccc21 95117252 IRMRPVOQXVIEAN-SFHVURJKSA-N 373.452 4.493 30 40 FIEB O=C(OCCCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F 169795673 VFRMEHZOOOXOKD-UHFFFAOYSA-N 354.140 4.315 30 40 FIEB COc1ccc(/C=C/C(=O)c2ccc(NC3=NCCCS3)cc2)cc1 6366526 JVGKVQYXBOODGQ-LFYBBSHMSA-N 352.459 4.496 30 40 FIEB C#CCOC(=O)/C=C/c1cc(Cl)c(OCc2ccccc2)c(OC)c1 226335051 RQSPQWGMUODXBK-MDZDMXLPSA-N 356.805 4.117 30 40 FIEB O=[N+]([O-])c1cccc(-c2nc3ccccn3c2/N=C/c2ccccc2O)c1 711846 IRAIIIMIMOCDDO-FYJGNVAPSA-N 358.357 4.366 30 40 FIEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cc(O)ccc1O 803556 GXEHNCSSDIDPDZ-HXUWFJFHSA-N 350.418 4.320 30 40 FIEB CC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@H]1c1ccccc1Cl 1510948 WQURSXNVAZPXOM-IBGZPJMESA-N 354.837 4.470 30 40 FIEB C=CCSc1ncc(Cl)c(C(=O)Nc2ccc(OC(F)F)cc2)n1 8916137 XQRRVLPVWZMZOK-UHFFFAOYSA-N 371.796 4.262 30 40 FIEB O=C(/C=N\Nc1ccccc1)c1ccc(C(=O)/C=N\Nc2ccccc2)cc1 100369024 UDYKGAPTZNMEDF-MPKYGIEOSA-N 370.412 4.248 30 40 FIEB O=C(/C=C1\NCCc2cc3c(cc21)OCO3)c1cc(Cl)cc(Cl)c1 5428274 RRZHPXNPCDUKQH-NVNXTCNLSA-N 362.212 4.092 30 40 FIEB CC1(C)CC(=O)C=C(N[C@H]2CCCC[C@@H]2NC2=CC(=O)CC(C)(C)C2)C1 15022473 ADMFYXMNRHBGPX-PMACEKPBSA-N 358.526 4.023 30 40 FIEB CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(C(C)C)cc1 19902524 GHIUADWQTZTWIE-FQEVSTJZSA-N 353.462 4.341 30 40 FIEB COC(=O)N1C/C(=C/c2ccc(F)cc2)C(=O)/C(=C/c2ccc(F)cc2)C1 83891332 ASHXLGVWHGQCJX-VRNBXGKJSA-N 369.367 4.083 30 40 FIEB C=CCOc1c(Cl)cc(CN[C@H](C)[C@@H](O)c2ccccc2)cc1OC 22076673 KOJAPZPTOAAVKW-AUUYWEPGSA-N 361.869 4.125 30 40 FIEB CCCCCCCCCCNC(=O)C(=O)NCCc1ccc(Cl)cc1 408710012 LHEJHQCISLUZTL-UHFFFAOYSA-N 366.933 4.256 30 40 FIEB Cc1nc2sc3c(c2c(=O)n1/N=C/c1ccccc1Cl)CCCC3 3147687 MEXQJOHKBXJNQF-KEBDBYFISA-N 357.866 4.181 30 40 FIEB O=C(O)C[n+]1c(-c2ccc(Cl)cc2)csc1Nc1ccc(F)cc1 5770112 ZPAYZVZHPPSMOG-UHFFFAOYSA-O 363.821 4.323 30 40 FIEB CC(/C=N/Nc1cnn(-c2ccccc2)c(=O)c1Cl)=C\c1ccccc1 12374192 QEFWRBSZNFVQMK-LJMWNDBKSA-N 364.836 4.387 30 40 FIEB O=C1c2cc([N+](=O)[O-])ccc2-c2c(/N=C/c3ccc4c(c3)OCO4)cccc21 18045689 ORZRASWYDKYBNN-LSHDLFTRSA-N 372.336 4.286 30 40 FIEB COc1ccccc1/C=C/C=N\N1CCN(Cc2ccccc2Cl)CC1 19848776 BTWGXXKULYPJSW-LMKPGGDOSA-N 369.896 4.165 30 40 FIEB O=C1/C(=N/Nc2ccc(Cl)cc2)C(C(F)(F)F)=NN1c1ccccc1 5603855 KIWOUWOTXLVOPG-LPYMAVHISA-N 366.730 4.073 30 40 FIEB C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)N1CCN(c3cccc(Cl)c3)CC1)C2 1448413 FPZQRRGQILMESK-KKSFZXQISA-N 358.913 4.371 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(F)cc2)C[C@@H]1c1ccc(OC)cc1 4119628 GJTAIQIEXGLVBG-CTNGQTDRSA-N 368.404 4.154 30 40 FIEB COc1ccc2nc(Cl)c(/C=N/Nc3nc4ccccc4[nH]3)cc2c1 5458726 OPQPFKXSTZPERX-KEBDBYFISA-N 351.797 4.219 30 40 FIEB CCCCN1C(=O)/C(=C/c2cccnc2)S/C1=N/c1ccc(OC)cc1 5978343 OFRQNNOMZWDIDL-YISMEOAQSA-N 367.474 4.494 30 40 FIEB Cc1ccc(-c2c[n+](CC(=O)c3ccc(Cl)cc3)c3n2CCC3)cc1 13769098 YCRVPOMUWWAFIM-UHFFFAOYSA-N 351.857 4.234 30 40 FIEB O=C1/C(=C\c2ccc(C(=O)O)cc2)CCC/C1=C/c1ccc(C(=O)O)cc1 35044434 YVIZFBNYAKEZDA-BKHHGCLFSA-N 362.381 4.303 30 40 FIEB Cc1ccc2c(Nc3ccc(F)c(C#N)c3)c(C(=O)OC(C)C)cnc2n1 49004524 DGTXJCIJIYWXLS-UHFFFAOYSA-N 364.380 4.258 30 40 FIEB C=CCN(Cc1ccccc1F)C(=O)CCc1nnc(-c2ccsc2)o1 58192705 PZNCMXGJABDDTN-UHFFFAOYSA-N 371.437 4.085 30 40 FIEB CN(C/C(O)=N/c1cccc(F)c1)Cc1cc(Cl)cc2c1OCOC2 82097202 LWZJPBBBROLFTE-UHFFFAOYSA-N 364.804 4.066 30 40 FIEB C#CC[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)c1ccccc1 95441113 JPONJJYNXYFTBZ-IBGZPJMESA-N 363.417 4.007 30 40 FIEB O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1ccccn1 409290739 ASTYWIMYTSDCGA-UHFFFAOYSA-N 366.380 4.087 30 40 FIEB CCOc1c(Cc2ccccc2)c(=O)n2c3ccccc3n(CC)c2c1C#N 1609066 CHXZVQYZPBILRX-UHFFFAOYSA-N 371.440 4.135 30 40 FIEB C=C(C)COc1c(Cl)cc([C@H]2NC(=O)c3ccccc3O2)cc1OC 4997912 YSILPXUSJNBMJV-IBGZPJMESA-N 359.809 4.125 30 40 FIEB Cc1nc(SCC(=O)N[C@@H]2CCCc3ccccc32)c(C#N)c(C)c1C 5089151 YDUGLMLFDFZHEE-LJQANCHMSA-N 365.502 4.164 30 40 FIEB CC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(C#N)cc2)c(C(F)(F)F)c1 14094642 NDJIDSNSEMIZQS-RMKNXTFCSA-N 373.334 4.187 30 40 FIEB COc1ccccc1/C=C/C=N/N=C1/C(=O)Nc2c(Cl)cc(Cl)cc21 4979857 CXGCGMDIXLZWMY-UZKWDSOLSA-N 374.227 4.442 30 40 FIEB CCc1nnc([C@@H]2C(=N)S/C(=C\c3c(F)cccc3Cl)C2=O)s1 137371386 AKOIMASRGOCUIT-GGWXMKDLSA-N 367.858 4.311 30 40 FIEB Cc1ccc(-c2nnc(S)n2N=Cc2c(O)ccc3ccccc23)cc1 253616975 JRQYJPYPGWICEA-UHFFFAOYSA-N 360.442 4.283 30 40 FIEB C#CCOc1ccc([C@H]2CC(=O)Nc3ccc4ccccc4c32)cc1OC 16196133 NRQXWTMDMAFVHN-GOSISDBHSA-N 357.409 4.335 30 40 FIEB C[C@H]1/C(=C\c2ccc(-n3ccnc3)c(F)c2)C(=O)c2c(O)ccc(F)c21 101276672 XFXXHYAYKNFQRA-ZWSXMNCCSA-N 352.340 4.240 30 40 FIEB CCNC(=S)N/N=C/c1ccc(Sc2ccc(Cl)cc2)s1 6891540 FHOHZVUGERTUCL-RQZCQDPDSA-N 355.941 4.371 30 40 FIEB Cc1ccc(N2C(=O)CC[C@@]2(C#N)c2ccc(Br)cc2)cc1 5047061 UGBLJJGHPNYDTM-GOSISDBHSA-N 355.235 4.303 30 40 FIEB CCOC(=O)c1c(/N=C/c2ccccc2OCC#N)sc2c1CCCC2 408815880 SSIRCLVRNZDESU-LPYMAVHISA-N 368.458 4.457 30 40 FIEB Cc1cc(C)nc(N/N=C\c2cccn2-c2cccc(C(F)(F)F)c2)n1 408939775 UIIZRWLXXNMANQ-JJFYIABZSA-N 359.355 4.349 30 40 FIEB Cc1c(Cl)c(C(=O)Nc2sc3c(c2C#N)[C@@H](C)[C@H](C)CC3)nn1C 331807571 WTYDOSSXXBNMFL-BDAKNGLRSA-N 362.886 4.253 30 40 FIEB CC1=CC(C)(C)N2C(=O)/C(=N\c3ccc4c(c3)OCO4)c3cc(C)cc1c32 101491506 QKMNLFMDVFUPFI-NMWGTECJSA-N 360.413 4.387 30 40 FIEB N#Cc1c(-c2ccccc2)cc(-c2ccc(F)cc2)nc1SCC(N)=O 2208269 CDGBVQOFDXFYCD-UHFFFAOYSA-N 363.417 4.004 30 40 FIEB CCCCc1c(O)c(/N=N/C(=O)C[n+]2ccccc2)c2ccccc2c1O 6379955 IYQJGSBIERPPDE-UHFFFAOYSA-O 364.425 4.192 30 40 FIEB COc1ccc(-c2csc(NC(=O)c3ccc(F)cc3)n2)cc1CC#N 9514940 GEETWXHKTGNHHJ-UHFFFAOYSA-N 367.405 4.276 30 40 FIEB Oc1ccccc1/C=N\Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F 12375312 ZTBXUZVEVKRRTE-IOMHPIHLSA-N 352.209 4.413 30 40 FIEB COc1cccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3onc(C)c32)c1OC 13691591 OVGPXQHQLGHUMW-QGZVFWFLSA-N 368.433 4.201 30 40 FIEB C[C@](C#N)(NN[C@@](C)(C#N)c1ccc(Cl)cc1)c1ccc(Cl)cc1 19170642 FDDQLIJOZGWMET-HDICACEKSA-N 359.260 4.265 30 40 FIEB N#Cc1cccnc1Oc1ccccc1NCc1nc(-c2ccco2)no1 55844333 DMFXMWWEZSFPMV-UHFFFAOYSA-N 359.345 4.001 30 40 FIEB Cc1cc(C)n(Cc2cccc(/C(N)=N/OCc3ccccc3Cl)c2)n1 58419410 XQVCVKARDNXPGA-UHFFFAOYSA-N 368.868 4.039 30 40 FIEB Cc1nn(C)c(C)c1C[C@H](C)C(=O)Nc1cc(C(C)(C)C)sc1C#N 91208384 KHJOEUWKHYEHCN-NSHDSACASA-N 358.511 4.085 30 40 FIEB Cc1ccc(S(=O)(=O)/N=C(\Cl)c2ccc(Cl)nc2Cl)cc1 105826086 HVIUTBKXTWFWMC-AQTBWJFISA-N 363.653 4.071 30 40 FIEB CCN(CC)c1ccc(/C=N/c2ccc(N3CCOCC3)cc2)c(OC)c1 408932085 SXNXWLUEXGNTDT-HAVVHWLPSA-N 367.493 4.129 30 40 FIEB COc1cc(N2CCCC2)c(OC)cc1/C=N/c1ccc(C(C)=O)cc1 409099455 SPMBWTAQHDVPLV-HYARGMPZSA-N 352.434 4.257 30 40 FIEB Cc1csc(NC(=O)CSc2nc3c(C)c(C)ccc3cc2C#N)n1 4849105 GBBISAUKFNLDPE-UHFFFAOYSA-N 368.487 4.219 30 40 FIEB C=CCn1c(COc2ccccc2)nnc1SCC(=O)c1ccccc1 5382849 BUUUQOMCBSQDKN-UHFFFAOYSA-N 365.458 4.018 30 40 FIEB CCOC(=O)c1ccc(NC(=S)N(CCC#N)C2CCCCC2)cc1 5836503 ZTPASRSYNFWNBH-UHFFFAOYSA-N 359.495 4.108 30 40 FIEB C=CCc1cc(OC)ccc1OCCN1CCCC[C@@H]1c1cccnc1 8737975 CPDRDUXZXMJPET-OAQYLSRUSA-N 352.478 4.425 30 40 FIEB biogenic N#Cc1ccc(CS(=O)(=O)Oc2cccc(Oc3ccccc3)c2)cc1 16726317 QYDMIEQVBKNVHZ-UHFFFAOYSA-N 365.410 4.259 30 40 FIEB CC(C)(C)OC(=O)n1cc(C(=O)CC#N)c2ccc(Br)cc21 35605884 ZKJALZBXEBITSV-UHFFFAOYSA-N 363.211 4.283 30 40 FIEB Cc1ccc(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 46707011 INGXTQRZKQNRPA-AWEZNQCLSA-N 363.442 4.074 30 40 FIEB CC(C)c1cc(C(=O)Nc2ccc(C#N)cc2)nc(N2CCCCCC2)n1 96192113 CNCJJYXDLYNCJC-UHFFFAOYSA-N 363.465 4.104 30 40 FIEB Cc1ccc(Sc2ccc(/C=N/Nc3ncccc3[N+](=O)[O-])o2)cc1 409105659 NTLZBWOODUELFH-YBFXNURJSA-N 354.391 4.488 30 40 FIEB CC[C@@H](Cc1ccccc1)C(=O)N[C@@H](C#N)c1cccc(Br)c1 535015729 ONZZARSBQCPLCE-YJBOKZPZSA-N 371.278 4.399 30 40 FIEB C=CCN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 1194200 YSMQNGAIXAVDOE-GDNBJRDFSA-N 372.427 4.242 30 40 FIEB CN(C)C(=O)On1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cc21 4024929 PVLDYXAYTXCZAH-UHFFFAOYSA-N 350.205 4.120 30 40 FIEB CC/N=c1\scc(-c2ccc(OC)cc2)n1/N=C(\C)c1ccc(C)o1 5416171 XXDKEXMCQQMVLE-IGRZBTMYSA-N 355.463 4.320 30 40 FIEB CC(=O)N(c1nc(COc2ccc(C#N)cc2)cs1)c1ccccc1F 12921010 NLCJYGCHXUQQDW-UHFFFAOYSA-N 367.405 4.417 30 40 FIEB CC1(C)Cc2c(C#N)c(N3CCOCC3)nc(-c3ccccc3)c2CS1 13764143 CCDXOPFKDUUFSA-UHFFFAOYSA-N 365.502 4.025 30 40 FIEB C[C@@H](SC1=NCCS1)C(=O)Nc1sc2c(c1C#N)CCCCC2 14141622 OKPMKFVBKPFZDB-SNVBAGLBSA-N 365.549 4.052 30 40 FIEB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccccc1OCC#N 16948900 LZPXQOYGIHAHBY-ATVHPVEESA-N 351.793 4.048 30 40 FIEB C=CCN1C(=O)/C(=C/c2cc(Cl)c(OC)c(Cl)c2)SC1=S 32109493 WHKUGZDEXAPPCA-XFFZJAGNSA-N 360.287 4.389 30 40 FIEB CCOc1ccccc1OCC(=O)Nc1ccccc1SCCC#N 95953553 GVEBPEGTVGHBES-UHFFFAOYSA-N 356.447 4.109 30 40 FIEB Oc1ccccc1/C=N\CC1CCC(C/N=C\c2ccccc2O)CC1 104128045 IQUQYVNGKZBPPJ-MPKYGIEOSA-N 350.462 4.442 30 40 FIEB C=CCOc1c(Cl)cc(/C=C2\SC(=S)N(CC)C2=O)cc1OC 409006823 LZOISWFJCXRDIC-LCYFTJDESA-N 369.895 4.135 30 40 FIEB COC(=O)c1ccc(/C=C2\S/C(=N\c3ccc(Cl)cc3)NC2=O)cc1 5376886 YXFOCMDMXIHULN-GDNBJRDFSA-N 372.833 4.018 30 40 FIEB COc1cc(/C=N/O)cc(Br)c1OCc1ccc(C)cc1 11801705 CLNDLWTVQYWCEM-GIJQJNRQSA-N 350.212 4.153 30 40 FIEB C[C@H](Oc1cccc(C#N)c1)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 12798596 YUATYNUKZYICHT-JTQLQIEISA-N 366.751 4.219 30 40 FIEB COc1cc(/C=N/CC2(N3CCCCC3)CCCCC2)ccc1OCC#N 12928799 GDSLPAAHJXCBGZ-JJIBRWJFSA-N 369.509 4.205 30 40 FIEB COc1ccc2c(c1)CCC/C2=N\OC(=O)c1cc(Cl)ccc1OC 15745657 SMWNPRPNZAPRRL-HEHNFIMWSA-N 359.809 4.255 30 40 FIEB CCCCCCCCNCc1cc(Cl)c(OCC(N)=O)c(OCC)c1 105342696 HXMHRIDVWAIORO-UHFFFAOYSA-N 370.921 4.053 30 40 FIEB N#Cc1ccc(C(=O)Nc2ccc(NCc3ccccc3)c(Cl)c2)nc1 107765165 GLRQQQZEZCTWQA-UHFFFAOYSA-N 362.820 4.471 30 40 FIEB O=C(O)c1cccc(-n2cccc2/C=N/c2cc(C(=O)O)ccc2Cl)c1 409096152 JMEBQOOBMAUFCI-SRZZPIQSSA-N 368.776 4.278 30 40 FIEB COc1cc(N2CCCC2)c(OC)cc1/C=N\c1ccc(N(C)C)cc1 409105445 JOSXOKVESTVTDJ-JCMHNJIXSA-N 353.466 4.121 30 40 FIEB CCOc1ccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1 409400797 AZBWBEQIUXXIJE-UHFFFAOYSA-N 369.424 4.344 30 40 FIEB N#Cc1nc(COc2ccc(Cl)cc2)oc1NCCc1ccccc1 730256 RDVSSUVYKNZSFL-UHFFFAOYSA-N 353.809 4.433 30 40 FIEB O=C(O)c1cc(/C=N/c2nc(-c3ccccc3)cs2)c2c(c1)COCO2 1063701 GNRDBIOLIKGBDS-DNTJNYDQSA-N 366.398 4.125 30 40 FIEB COc1ccc([C@@H](C#N)c2nc3ccccc3nc2N2CCCCC2)cc1 2209794 QFJLOZMNSCKLBW-GOSISDBHSA-N 358.445 4.284 30 40 FIEB O=S(=O)(OCCC[C@@H]1C[C@@H]2C=C[C@H]1C2)c1ccc(Br)cc1 4972312 YWTFWGLNBUOVSE-MJBXVCDLSA-N 371.296 4.147 30 40 FIEB N#CCN(C(=O)CSc1ccc(Br)cc1)c1ccccc1 11341035 JOLJKBZCSMTEMG-UHFFFAOYSA-N 361.264 4.098 30 40 FIEB CN(C)CC/C(=N/Nc1c(F)c(F)c(F)c(F)c1F)c1ccccc1 16953424 SRFJSLGPYUBXOR-KSEXSDGBSA-N 357.326 4.150 30 40 FIEB CCOC(=O)c1c(NC(C)=C2C(=O)c3ccccc3C2=O)sc(C)c1C 100604497 WLHODTXWRSKOHR-UHFFFAOYSA-N 369.442 4.307 30 40 FIEB COc1cc(/C=N/O)cc(Cl)c1OCc1ccc(Br)cc1 103862853 TZCNTZZFIGMXSD-QGMBQPNBSA-N 370.630 4.498 30 40 FIEB CC(C)Cc1csc(C(C#N)=NNc2ccc(Br)cc2)n1 238900260 IHLRDQYXSDJLEY-UHFFFAOYSA-N 363.284 4.444 30 40 FIEB C#CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(CC)cc3)c2C)C1=O 408917545 WTZDXXGUJSCZEW-CPNJWEJPSA-N 364.470 4.326 30 40 FIEB COc1cc(/C=C2/C(=O)ON=C2C)ccc1OCc1cc(C)cc(C)c1 408934459 AWBQWSKHBGDLCF-VCHYOVAHSA-N 351.402 4.207 30 40 FIEB CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@@]3(F)C(=O)C[C@]12C 118922759 RNNCAOFZFWZGLS-SNYRELPCSA-N 360.469 4.241 30 40 FIEB COc1ccc2ccccc2c1/C=N/c1c(C)n(C)n(-c2ccccc2)c1=O 2287374 PFTNJZNEBMPLOB-BUVRLJJBSA-N 371.440 4.397 30 40 FIEB Cc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1ccc(F)cc1 9318593 QFWQONAGRASPHP-VFNWGFHPSA-N 374.419 4.141 30 40 FIEB C#CCOc1c(Br)cc(CNc2ccc(C)cc2)cc1OC 409110444 CDRUWPANRNWTBS-UHFFFAOYSA-N 360.251 4.390 30 40 FIEB CCOc1ccc(/C(C)=N/Nc2nc3ccccc3s2)cc1[N+](=O)[O-] 409050465 WCASOCVMOOYDSX-YBFXNURJSA-N 356.407 4.439 30 40 FIEB N#Cc1c(COC(=O)/C=C/c2ccc3ccccc3n2)cn2ccccc12 14728705 LLTGXMNWCOLVHA-ZHACJKMWSA-N 353.381 4.116 30 40 FIEB O=C(COc1ccc(/C=N\c2ccccc2F)cc1)NCc1ccccc1 408801683 VFBPRHHMEOYKKP-OYKKKHCWSA-N 362.404 4.272 30 40 FIEB C=CCc1cc(C(=O)N2CCC[C@H]2c2ccccc2)cc(OC)c1OC 32883787 JBKMGGGCEDRDEH-IBGZPJMESA-N 351.446 4.410 30 40 FIEB C=CCOc1ccc(C(=O)Nc2nnc(-c3ccc(OC)cc3)s2)cc1 223947701 YBWLRXZHPJRCKI-UHFFFAOYSA-N 367.430 4.031 30 40 FIEB C=C[C@]1(O)CC[C@@H]2[C@H]3C[C@H]4O[C@@]45C[C@@H](OC(C)=O)CC[C@]5(C)[C@@H]3CC[C@@]21C 245227847 RSBPOYAJCVXJON-VJVYTLNYSA-N 374.521 4.009 30 40 FIEB C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCC(c2c[nH]c3ccccc23)CC1 684801858 CIDUVORLVBWFIA-LAUBAEHRSA-N 367.493 4.038 30 40 FIEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 12781580 KBJJYXJQCLRKFW-SNVBAGLBSA-N 366.751 4.219 30 40 FIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccccc2)cc1 102588470 JRBGVRLMAKPLHC-YDJIHCHBSA-N 370.408 4.016 30 40 FIEB COc1ccc(/C=N/N(C)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 4866104 KFNVJGQAQRKCSH-YBFXNURJSA-N 368.418 4.197 30 40 FIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCCc4ccc(F)cc4)[C@H]3C[C@@H]12 4040460 IJPCICXBQIEOKE-ZFVIQDPVSA-N 371.496 4.272 30 40 FIEB biogenic Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@@H]2c2cccs2)c1 15301435 WKBKNNMTUBIVEO-LJQANCHMSA-N 367.518 4.449 30 40 FIEB N#Cc1cccc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)c1 7947598 OPAHUBTUGBLMFP-SFHVURJKSA-N 350.468 4.469 30 40 FIEB C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nccn1C1CC1 95953390 LFAUXPILZLKBEU-ZDUSSCGKSA-N 372.519 4.343 30 40 FIEB COc1ccc(/C=C2/SC(=Nc3cccc(Cl)c3)NC2=O)cc1OC 408750078 XEIAAIACNGOWMC-CXUHLZMHSA-N 374.849 4.249 30 40 FIEB CCCC(=O)Nc1nc2ccc(/N=C/c3cccc(OC)c3O)cc2s1 70461132 DMMRVPJECKNPJY-RGVLZGJSSA-N 369.446 4.500 30 40 FIEB Cc1ccc(S(=O)(=O)N/N=C\C2c3ccccc3-c3ccccc32)cc1 5081658 QKOKUNYPPZUDQR-HMAPJEAMSA-N 362.454 4.072 30 40 FIEB Oc1c(Cl)cc(Cl)cc1/C=N/c1ccccc1N1CCOCC1 16449154 GQBCOFXZSHDYLG-RGVLZGJSSA-N 351.233 4.286 30 40 FIEB O=[N+]([O-])c1ccc(N/N=C/c2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])c1 4991405 VMJTYZJSMCLRIH-FRKPEAEDSA-N 355.137 4.256 30 40 FIEB CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(C(F)(F)F)cc2)NC(=O)N1 5517414 GYCHUPKBFJPXJH-MRXNPFEDSA-N 360.335 4.216 30 40 FIEB CCOc1ccc(/N=C2\SCCCN2C(=O)c2ccc(C#N)cc2)cc1 5559096 SRKAKYBRSLWPQW-XDOYNYLZSA-N 365.458 4.224 30 40 FIEB N#Cc1ccccc1OCC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 7898939 HDASQVJKXWSPAJ-UHFFFAOYSA-N 366.804 4.167 30 40 FIEB C=CCSc1ccccc1NC(=O)c1ccc2c(c1)NC(=O)CS2 9154566 FQKYWYBTIRSRJF-UHFFFAOYSA-N 356.472 4.261 30 40 FIEB COC(=O)c1ccc(/C=C2\Oc3cc(OCC=C(C)C)ccc3C2=O)cc1 12662417 MQHPUTJGJBPVBB-NDENLUEZSA-N 364.397 4.434 30 40 FIEB biogenic Cc1nc(C(C)(C)C)sc1C(=O)/C=C/c1cnc(N2CCCC2)nc1 44026800 CYYCDFMFWVOTBY-BQYQJAHWSA-N 356.495 4.035 30 40 FIEB C/C(=N\Cc1ccccn1)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 100370438 GWZQQQWANBTMMJ-PCLIKHOPSA-N 369.424 4.101 30 40 FIEB C=CCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1 101231682 KWLLTUFNXXDMDR-SELCWUDQSA-N 367.832 4.256 30 40 FIEB CCOc1c(Cl)cc(/C=C2\C(=O)ON=C2c2ccccc2)cc1OC 409089829 KKWIJVRRXCUIRB-ZROIWOOFSA-N 357.793 4.092 30 40 FIEB Cc1cccnc1CN1CCC[C@@H]1c1cccc(Nc2ccc(C#N)nc2)n1 585295268 SFJTUJCKLOVAEL-OAQYLSRUSA-N 370.460 4.132 30 40 FIEB Oc1ccc(Cl)cc1/N=C/c1cc2c(cc1Br)OCO2 1102915 GABPGVBIFQRJPZ-UBKPWBPPSA-N 354.587 4.287 30 40 FIEB C[C@H]1CCc2c(sc(NC(=O)COc3ccccc3Cl)c2C#N)C1 1959818 IDFPNSGMYHVVKK-NSHDSACASA-N 360.866 4.415 30 40 FIEB CN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccccc1 3021544 ZMDBGXRTQNMLEI-FESQGUELSA-N 353.472 4.291 30 40 FIEB C=CCOc1ccc(CN(C)CC(=O)Nc2cccc3ccccc23)cc1 3439406 LBQRNKSOVVBZMY-UHFFFAOYSA-N 360.457 4.475 30 40 FIEB CC1=C(C(=O)c2ccccc2)[C@H](c2ccccc2C(F)(F)F)NC(=O)N1 5504616 TZZOMLOQPXNQJH-INIZCTEOSA-N 360.335 4.216 30 40 FIEB CCOc1ccc([C@H]2C3=C(CCCC3=O)Nc3cc4c(cc32)OCO4)cc1 18196788 MUMNBKODPUZJJM-OAQYLSRUSA-N 363.413 4.379 30 40 FIEB COc1cc(C#N)cc(Cl)c1OC(=O)c1nc(-c2ccccc2)oc1C 24042877 RSJLLVCZPXLHBW-UHFFFAOYSA-N 368.776 4.403 30 40 FIEB CC/N=C1\S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1CC 109596630 VBTKVYSGTHFJFD-UGZHYMOWSA-N 371.418 4.167 30 40 FIEB N#Cc1cccc(OC2CCN(C(=O)NCCC3=CCCCC3)CC2)c1 171572538 JDBZWVGZCYTZTM-UHFFFAOYSA-N 353.466 4.002 30 40 FIEB Cc1cc(C)nc(Nc2cccc(C(=O)Nc3ccc(CC#N)cc3)c2)n1 225914718 YPOIDBRGRVKHJW-UHFFFAOYSA-N 357.417 4.155 30 40 FIEB Cc1ccc(N/C(O)=N/[C@H](c2nc(C(C)C)no2)C2CCOCC2)s1 330057161 XABKRDWNDIPVLH-AWEZNQCLSA-N 364.471 4.057 30 40 FIEB C=CCc1cc(/C=N\Nc2ccc(Br)cc2)cc(OC)c1O 409200126 GVKDBNMBRSMIAC-ODLFYWEKSA-N 361.239 4.338 30 40 FIEB N#Cc1ncccc1N1CCC(c2ccc3cc(C4CC4)cnc3n2)CC1 2087046247 KNKGBUSGULZJKN-UHFFFAOYSA-N 355.445 4.158 30 40 FIEB C/N=c1\scc(-c2ccc(Cl)cc2)n1/N=C/c1ccc(C#N)cc1 12602771 UCVCCJIZVORDAW-ZBJYABMISA-N 352.850 4.154 30 40 FIEB C=CCn1cnnc1SCc1cc(Cl)ccc1OCc1cccnc1 48299574 BVKSJXUGINRIOF-UHFFFAOYSA-N 372.881 4.384 30 40 FIEB C#CCSc1nc2c(c(=O)n1CCC)C1(CCCC1)Cc1ccccc1-2 2245835 WLKQIGSJNBKVKT-UHFFFAOYSA-N 364.514 4.414 30 40 FIEB Cc1ccc(N/N=C(/C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1 4996055 AQTUHLBDXLRPKF-HAHDFKILSA-N 362.414 4.187 30 40 FIEB CSc1nc(Nc2cc(Cl)cc(C#N)c2)ncc1Br 144251325 VYHHXOPKHYPZRF-UHFFFAOYSA-N 355.648 4.230 30 40 FIEB N#Cc1cccc(CNC2(c3cccc(Br)c3)CCOCC2)c1 55055595 YVSFKIWLYGHUSC-UHFFFAOYSA-N 371.278 4.116 30 40 FIEB COc1c(F)c(F)c(C(=O)Nc2sc(C)c(C)c2C#N)c(F)c1F 14258582 HPYPPRMCEYEZES-UHFFFAOYSA-N 358.316 4.054 30 40 FIEB CCOC(=O)[C@@H](C#N)[C@@H](c1ccco1)[C@H]1C(=S)Sc2ccccc21 16682117 DFQWBJXAXWCZQR-RCBQFDQVSA-N 357.456 4.283 30 40 FIEB N#Cc1ccc(NC(=O)CSCc2csc(-c3ccco3)n2)cc1 31420490 OSSBXQBQBNUYRS-UHFFFAOYSA-N 355.444 4.147 30 40 FIEB CCc1ccc2nc(SCC(=O)N[C@H]3CCCC[C@H]3C)c(C#N)cc2c1 4848952 SFKMIKMYQNLRPL-KDOFPFPSSA-N 367.518 4.456 30 40 FIEB O=C1/C(=C\c2ccc(Cl)c(Cl)c2)CS(=O)(=O)c2ccccc21 33530717 CJLXVWAIHBFQRR-XFFZJAGNSA-N 353.226 4.047 30 40 FIEB C#CCOc1c(Cl)cc(/C=N/NCc2ccc(Cl)cc2)cc1OC 10119060 YTKUCRHRPMDGLM-WSDLNYQXSA-N 363.244 4.138 30 40 FIEB COc1ccccc1NC(=O)c1c(C)[nH]c(=S)c(C#N)c1-c1ccco1 2318399 CXFVWNRUNLAWST-UHFFFAOYSA-N 365.414 4.445 30 40 FIEB O=C(/C=C/c1ccc(-n2cncn2)c(F)c1)c1c[nH]c2cc(Cl)ccc12 63413179 LDVDTYCDOGUWOL-QHHAFSJGSA-N 366.783 4.437 30 40 FIEB CC(C)OC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O 8992321 LGHDPIUAVAVHDF-NVMNQCDNSA-N 372.804 4.287 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccco2)C[C@@H]1c1c(F)cccc1Cl 4919506 VLOPTDYJUKGJRK-KZULUSFZSA-N 362.784 4.391 30 40 FIEB CCOc1ccc(/N=C/c2cc(Br)c(O)c(OC)c2)cc1 5953586 RBSUUOZWNPRSMZ-VCHYOVAHSA-N 350.212 4.313 30 40 FIEB COc1cc(/C=N/Nc2ccnc3cc(Cl)ccc23)cc(OC)c1OC 6320038 UAEVHBTYQVKISI-SSDVNMTOSA-N 371.824 4.360 30 40 FIEB CCn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccccc1C#N 13995527 RUONVNRFTCMKIB-UHFFFAOYSA-N 362.458 4.172 30 40 FIEB N#CCSc1ccccc1NC(=O)CNc1cccc(C(F)(F)F)c1 15289813 NKRYBKALOMEZSB-UHFFFAOYSA-N 365.380 4.372 30 40 FIEB CCCCn1c(/N=C/c2cc(OC)cc([N+](=O)[O-])c2O)nc2ccccc21 19419159 LLININHXYHDVJN-UDWIEESQSA-N 368.393 4.209 30 40 FIEB Cc1ccc(Nc2ccccc2NS(=O)(=O)c2ccc(C#N)cc2)cc1 24101399 YLSNWSKVSIHWMA-UHFFFAOYSA-N 363.442 4.411 30 40 FIEB C=C(Cl)COc1ccc(C(=O)/C=C/c2ccc(O)c([N+](=O)[O-])c2)cc1 40156652 PONXONOBSUGMMQ-KRXBUXKQSA-N 359.765 4.328 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(N(C)C)cc2)C[C@@H]1c1cccs1 97104903 QDMBWRLRWCBGRO-XLIONFOSSA-N 369.486 4.133 30 40 FIEB Cc1c(C(=O)N2CCCc3ccccc32)oc2c1/C(=N\O)CC(C)(C)C2 100931429 UTVGJLVXQSYZJL-JCMHNJIXSA-N 352.434 4.332 30 40 FIEB N#CCOc1ccccc1-c1nc(O)c2c3c(sc2n1)CCCCC3 408998234 KVSBQHSECRXDKF-UHFFFAOYSA-N 351.431 4.235 30 40 FIEB O=C(O)c1cccc(-n2cccc2/C=N\c2ccc(Cl)c(C(=O)O)c2)c1 409101948 CAGMVWGHZDODFA-NHDPSOOVSA-N 368.776 4.278 30 40 FIEB CC1(C)OB(c2cc(Cl)cc(Br)c2Cl)OC1(C)C 725239898 CAZXHIVYLTUYPT-UHFFFAOYSA-N 351.864 4.055 30 40 FIEB CCC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1083809128 JRYYVBGRZVGKIC-UHFFFAOYSA-N 356.131 4.043 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccccc2)C[C@@H]1c1cccc(N(C)C)c1 1554503051 BZFSZKVSYAZXCK-IRLDBZIGSA-N 363.457 4.072 30 40 FIEB Cc1ccc(NC(=S)N/N=C/c2cc(Cl)cc(Cl)c2O)cc1 3184820 KBSHBHNOGFHWMS-QGMBQPNBSA-N 354.262 4.328 30 40 FIEB O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc(Br)c(Cl)c2)c1 4990682 CCQSTFAVWQGFRM-FRKPEAEDSA-N 355.575 4.467 30 40 FIEB COc1ccc(Cl)cc1-c1n[nH]c(SCc2ccc(C#N)cc2)n1 6464088 HXKLTCBDGOCPEC-UHFFFAOYSA-N 356.838 4.298 30 40 FIEB CCN1C(=O)/C(=N\Nc2nc(Cl)c(Cl)cc2Cl)c2ccccc21 8203236 XGIAVIRYYJQWKE-NDENLUEZSA-N 369.639 4.225 30 40 FIEB CC(=O)Nc1sc(N/N=C/c2cccc(O)c2)nc1-c1ccc(C)cc1 15230934 LYVCONQNUJJAHN-RGVLZGJSSA-N 366.446 4.229 30 40 FIEB CCc1n[nH]c(=S)n1/N=C/c1ccc(OCc2cccc(F)c2)cc1 17649329 WVKSNLURTMITRM-RGVLZGJSSA-N 356.426 4.103 30 40 FIEB Cc1[nH]c2ccccc2c1C(=O)/C(O)=N/c1nc(-c2ccccc2)ns1 48354336 CTMFZLKOFOSHMC-UHFFFAOYSA-N 362.414 4.466 30 40 FIEB CC1(C)[C@@H]2CC[C@@]1(C)C(=O)/C2=C\C(=O)O/C=C1\C(=O)[C@]2(C)CC[C@@H]1C2(C)C 100362729 PWHGOAZEQDQCIY-PMUIXYHZSA-N 370.489 4.390 30 40 FIEB C=CCSc1ccccc1C(=O)NCc1ccc(CN2CCCC2)cc1 224506879 XUSDEJJQNDKLJC-UHFFFAOYSA-N 366.530 4.491 30 40 FIEB Cc1cc(/C=N\c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccccc1C(=O)O 409210432 JZCHMGYNVRIMNB-MTJSOVHGSA-N 363.373 4.451 30 40 FIEB C[N+](C)(CC(=O)Nc1ccc(Cl)cc1)Cc1ccc2c(c1)CCCC2 1555876 NOTDOSXSOGOETQ-UHFFFAOYSA-O 357.905 4.434 30 40 FIEB C=CCNC(=O)CSc1nc(-c2ccccc2)nc2ccc(Cl)cc12 4130350 IZBCDXFQDBXSFP-UHFFFAOYSA-N 369.877 4.345 30 40 FIEB Cc1cc(C)c2nc3c(cc(C#N)c4nc5ccccc5c(=O)n43)cc2c1 3182736 VNROJVKRQPSSCF-UHFFFAOYSA-N 350.381 4.038 30 40 FIEB COc1ccc(/N=C\c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1 100349903 RHOBTCXEVDVWNI-IWIPYMOSSA-N 374.440 4.141 30 40 FIEB N#Cc1c(N)n(-c2ccc(Cl)cc2Cl)c2nc3ccccc3nc12 2222567 VTLJCBSLTHIIBV-UHFFFAOYSA-N 354.200 4.334 30 40 FIEB CCOC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(CC)cc1)C2=O 2425355 MNJODDHQOCXLOW-FAPYRAKZSA-N 366.413 4.196 30 40 FIEB CC(C)(C)c1ccc(OCCOc2ccc(/C=N/c3nnc[nH]3)cc2)cc1 18115756 ZOKQCVLTSPUCSM-HYARGMPZSA-N 364.449 4.311 30 40 FIEB C=CCn1c(CCCC)nnc1SCC(=O)Nc1c(C)cccc1CC 408560987 SYEMXIXINPROME-UHFFFAOYSA-N 372.538 4.408 30 40 FIEB C=CCOc1ccc(/C=C2\SC(=O)N(CCCC)C2=O)cc1OCC 409059909 YQHOABGEEUQTKQ-LGMDPLHJSA-N 361.463 4.487 30 40 FIEB CCCOc1ccc(/C=N\OCC(=O)Nc2cc(C)ccc2C)cc1OC 33696241 RGCAJKCYYHSMCY-XKZIYDEJSA-N 370.449 4.090 30 40 FIEB Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C/c2ccccc2O)cc1 18212409 KZKLXKQVYFMVMX-KGENOOAVSA-N 366.442 4.252 30 40 FIEB COc1cc(/C=N/c2sc3c(c2C#N)CCCC3)ccc1OCC#N 3668079 UBGZZEGAJCZIBR-WSDLNYQXSA-N 351.431 4.160 30 40 FIEB Cc1cc(/C=N\c2ccccc2I)cc(C)c1O 105839858 BAYWPMHJEZROGD-MFOYZWKCSA-N 351.187 4.364 30 40 FIEB Cc1c(C#N)c(NC(=O)CSc2ccccn2)n(-c2ccccc2)c1C 8711023 XUNXXHMIYOSAPM-UHFFFAOYSA-N 362.458 4.092 30 40 FIEB COc1ccc(N(Cc2nnc(-c3ccc(C#N)cc3)o2)C(C)C)cc1F 72598522 ISCXKMDLIZLFEB-UHFFFAOYSA-N 366.396 4.171 30 40 FIEB O=C1C(=Cc2ccc(-c3ccc(F)cc3[N+](=O)[O-])o2)C(=O)c2ccccc21 409393184 VGYCKZZQYJXUGI-UHFFFAOYSA-N 363.300 4.457 30 40 FIEB CCOCCN1C(=O)/C(=C/c2cccs2)S/C1=N/c1ccccc1 408929641 LYRVRQIVSAXNRL-XPRMTSCQSA-N 358.488 4.389 30 40 FIEB N#Cc1c(N)nc(SCc2ccccc2F)nc1Cc1ccc(F)cc1 223679240 KIVUMIHWHZGLIO-UHFFFAOYSA-N 368.412 4.092 30 40 FIEB C=CCc1cc(C(=O)NCCOc2ccc3ccccc3c2)ccc1OC 223608998 LANJEEUBTHKMAB-UHFFFAOYSA-N 361.441 4.386 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(N(C)C)cc2)C[C@@H]1c1cccs1 97104902 QDMBWRLRWCBGRO-YLJYHZDGSA-N 369.486 4.133 30 40 FIEB C/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc2ccccc12 4537548 ZDHFODQTRIQUMI-XDHOZWIPSA-N 350.334 4.492 30 40 FIEB Cn1cc(/C=C2/S/C(=N\c3ccccc3F)NC2=O)c2ccccc21 8417817 GFEVVJMSCGNWBG-LICLKQGHSA-N 351.406 4.209 30 40 FIEB COCCn1c(SCc2ccccc2C#N)nnc1-c1cccc(C)c1 5227916 CMUHGGMKCPRKTD-UHFFFAOYSA-N 364.474 4.064 30 40 FIEB Cc1nc2n(n1)[C@@H](c1ccc(Cl)cc1Cl)C1=C(C[C@H](C)CC1=O)N2 22608092 OKBUKLSDQJYCIF-PWJLMRLQSA-N 363.248 4.161 30 40 FIEB C=CC[n+]1c(-c2ccccc2)csc1Nc1ccc(O)c(C(=O)O)c1 728074 BZDPOFDBCNMGRB-UHFFFAOYSA-O 353.423 4.036 30 40 FIEB CCCC[C@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc([N+](=O)[O-])cc1 4626438 WVKDLKWFXFPJBB-KSSFIOAISA-N 374.437 4.096 30 40 FIEB CCN1C(=O)/C(=C\c2ccc(N(C)C)cc2)S/C1=N\c1ccccc1 4631230 SUFVQPBLRKGLJS-HOOMGSECSA-N 351.475 4.377 30 40 FIEB COc1ccc(O)c(/C=N/c2ccc(Br)c3cccnc23)c1 5675563 ACEGKLCQFGFSJO-KEBDBYFISA-N 357.207 4.462 30 40 FIEB Cc1ccc(S(=O)(=O)N/N=C/C2c3ccccc3-c3ccccc32)cc1 16928436 QKOKUNYPPZUDQR-HYARGMPZSA-N 362.454 4.072 30 40 FIEB CCn1c(C)cc(C(=O)CSc2nc3c(c(C)c2C#N)CCC3)c1C 22719734 NZLUYCPFOULJOL-UHFFFAOYSA-N 353.491 4.164 30 40 FIEB C=CCSc1ccccc1NC(=O)CNC(=O)c1cc(C)c(CC)s1 23113366 SBNZHPLVWZIOJQ-UHFFFAOYSA-N 374.531 4.266 30 40 FIEB CCN(CC)c1ccc(/C=C2/S/C(=N/c3ccccc3)NC2=O)c(O)c1 59514401 QIDQWSQPOMFINI-LDADJPATSA-N 367.474 4.130 30 40 FIEB Cc1cccc(OC[C@H](O)CON=C2c3ccccc3-c3ccccc32)c1 95117238 CZTDYGPUXFWOGD-KRWDZBQOSA-N 359.425 4.184 30 40 FIEB COc1ccc(/C=C2/CCOc3ccc(F)cc3C2=O)cc1OC(F)F 96988706 HPASXZKJDAUSBG-WQLSENKSSA-N 364.319 4.485 30 40 FIEB CC(=O)[C@H]1C(=O)C=C(c2ccco2)C[C@H]1c1cccc(Br)c1 1087881 HPQYJAGICBURBM-MAUKXSAKSA-N 359.219 4.387 30 40 FIEB Cc1ccc(S(=O)(=O)N/N=C(/c2ccccc2)c2ccsc2C)cc1 1763603 KLXYCVZDRDKZKE-VXPUYCOJSA-N 370.499 4.096 30 40 FIEB CCCCOc1ccc(C(=O)O/N=C2/C=C(C(C)C)C(=O)C=C2C)cc1 4320954 IUZYDWFNJRPOBK-QOCHGBHMSA-N 355.434 4.490 30 40 FIEB CCc1nc(SCC(=O)Nc2ccccc2F)c(C#N)c2c1CCCC2 4598794 HRGCQWLWDRFAGN-UHFFFAOYSA-N 369.465 4.264 30 40 FIEB N#CC1(C#N)[C@@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@H]1c1ccc(F)c(F)c1 4652936 LLYIYFWZFAYMSZ-QGDJINRTSA-N 366.411 4.497 30 40 FIEB Cc1ccc(C)c2nc(SCC(=O)N3CCC(C)CC3)c(C#N)cc12 4849186 WFJSMDYVZOYASE-UHFFFAOYSA-N 353.491 4.074 30 40 FIEB CC1=C(C(=O)c2ccccc2)[C@H](c2ccccc2OC(C)C)NC(=S)N1 6202357 IYGABDWCMVZPIY-IBGZPJMESA-N 366.486 4.150 30 40 FIEB Cc1ccc(OCc2nc(C(=O)Nc3ccc(CC#N)cc3)cs2)cc1 10026682 AIELJPYAXYBMAR-UHFFFAOYSA-N 363.442 4.349 30 40 FIEB C/C(C(=O)c1ccc(Cl)cc1)=[N+](/[O-])[C@@H](/C(=N/O)c1ccccc1)C(C)C 13098333 SEHSBGHLWFGTRX-SKECTWFPSA-N 372.852 4.397 30 40 FIEB COc1ccc(/C(C)=N/NCc2c(Cl)cccc2Cl)cc1[N+](=O)[O-] 13586061 MBWGUGILAAJVII-KEBDBYFISA-N 368.220 4.424 30 40 FIEB Sc1nnc(C2CCCCC2)n1/N=C\c1ccc(Br)s1 15979232 YNCSZKXHXVCFKK-NVNXTCNLSA-N 371.329 4.321 30 40 FIEB O=C1N/C(=N/c2ccc3ccccc3c2)S/C1=C/c1ccc(O)c(O)c1 35644446 YCPFCQJDPZSXIT-VCHYOVAHSA-N 362.410 4.143 30 40 FIEB C#CCOC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12 226360170 BYSQCNIOLIFLGW-UHFFFAOYSA-N 366.214 4.454 30 40 FIEB FC(F)(F)C(F)(F)C(F)(F)N/N=C\c1sccc1Br 409040737 UFVRPZAKNSORIP-YPEHOIGNSA-N 373.091 4.225 30 40 FIEB C/C(C#Cc1ccccc1)=C\C(C)=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4701678 YUHYPSVHHSWSAX-HUYXPJJLSA-N 364.361 4.289 30 40 FIEB O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1C1(CCCCC1)n1ncnc1N2 6225801 OPQAOOYBOHVLKC-AWEZNQCLSA-N 368.868 4.417 30 40 FIEB CC(C)Sc1nc2ccccc2n1CC(=O)Nc1ccc(C#N)cc1 12520344 HLZOHDLTSAPNER-UHFFFAOYSA-N 350.447 4.047 30 40 FIEB Cc1ccc(-n2c(C)cc(/C=N/Nc3ccc([N+](=O)[O-])cn3)c2C)c(C)c1 4047991 KKDUOESRYWDKQM-SSDVNMTOSA-N 363.421 4.460 30 40 FIEB CCN(CC)c1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1 409041284 ULTCRVJIPUNMPU-AFPJDJCSSA-N 359.289 4.247 30 40 FIEB O=[N+]([O-])c1cccnc1N/N=C/c1ccc(N2CCCC2)c2ccccc12 409102555 DHAZUDLLUXNHJJ-HYARGMPZSA-N 361.405 4.189 30 40 FIEB O=C(O)c1cccc(-n2cccc2/C=N\Nc2ccc(C(F)(F)F)cn2)c1 409085540 DFWXKKSFLUYKRV-KSEXSDGBSA-N 374.322 4.035 30 40 FIEB COCCCN1C(=O)/C(=C/c2ccccc2)S/C1=N\c1ccccc1 408932317 VOBOSFMSMMOHMS-SMNQVOTKSA-N 352.459 4.327 30 40 FIEB CC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@@H]1c1ccc(N(C)C)cc1 408731693 PDJCHKSMDQPBPI-HXUWFJFHSA-N 365.502 4.051 30 40 FIEB CC[C@@H](Cc1ccccc1)C(=O)N[C@H](C#N)c1cccc(Br)c1 535015726 ONZZARSBQCPLCE-MAUKXSAKSA-N 371.278 4.399 30 40 FIEB C/C(CCc1ccc2c(c1)OCO2)=N\NC(=S)Nc1ccc(C)cc1C 33044140 AQZBUMDIRDEVOO-PXLXIMEGSA-N 369.490 4.327 30 40 FIEB C=CCN(Cc1cccs1)C(=O)c1cc(C)nc2c1cnn2C(C)C 32859705 YLUYJXWQPUPAQN-UHFFFAOYSA-N 354.479 4.211 30 40 FIEB CC[C@@H]1S/C(=N\N=C\c2ccc(C)cc2)N(Cc2ccccc2)C1=O 4903625 LFVQYSJCHCIVRM-MXWPMSCXSA-N 351.475 4.239 30 40 FIEB CN1/C(=C\C(=O)CN2CCC[C@@H](C(F)(F)F)C2)C(C)(C)c2ccccc21 57672096 CHQWMXWBJOCVLE-JVVDOCDTSA-N 366.427 4.141 30 40 FIEB Cc1ccccc1-n1ncc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2)c1C 68343761 UXXAFJBMPNOCIH-SFHVURJKSA-N 364.836 4.137 30 40 FIEB CCCCCCCCCc1ccc(OCCOCCOCCO)cc1 77319760 ZIJRVWRFZGXKMY-UHFFFAOYSA-N 352.515 4.384 30 40 FIEB in-vitro C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(Oc4ccc(C#N)cc4)cc3)C(=O)[C@H]2C1 102071033 KJWSKORJFCFRHG-UAOJZALGSA-N 360.413 4.276 30 40 FIEB Cc1cccc(Cc2nc(SCc3ccccc3F)nc(N)c2C#N)c1 223670745 WOXSEBATTXRHSM-UHFFFAOYSA-N 364.449 4.261 30 40 FIEB C=CCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 224998175 AKMFQUVGIFPEJC-UHFFFAOYSA-N 360.435 4.100 30 40 FIEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)C/C=N/O 118924052 WSHRNOHWOVLOQJ-MWFOSSATSA-N 359.510 4.346 30 40 FIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCc4ccc(OC)cc4)[C@H]3C[C@H]12 12661436 ITHDPGAXOGNXMB-AIDNLNPPSA-N 369.505 4.099 30 40 FIEB biogenic C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 12978357 DZUOOERWCCNLGO-BFUOFWGJSA-N 354.837 4.246 30 40 FIEB O=C(/C=C/c1ccc(F)c(Br)c1)c1ccc([N+](=O)[O-])cc1 5128223 MUAPXQPTJDEXNL-KRXBUXKQSA-N 350.143 4.393 30 40 FIEB COc1ccc([C@@H]2C3=C(O)CCCC3=NC3=C2C(=O)CCC3)cc1OC 4725938 SQZRTPZMKNVITG-LJQANCHMSA-N 353.418 4.245 30 40 FIEB COC(=O)c1ccc(/N=C/c2cccn2-c2cccc(C(=O)O)c2)c(C)c1 409102137 UXALAQBCYCGWPJ-LPYMAVHISA-N 362.385 4.021 30 40 FIEB CCN1C(=O)/C(=C\c2ccc(O)cc2O)S/C1=N\c1ccc(C)cc1 408909148 GOEQCOLXNORURZ-MVLGTPAKSA-N 354.431 4.030 30 40 FIEB COc1ccc2cc(C#N)c(SCC(=O)c3ccc(F)cc3)nc2c1 35314292 VXGLWVDTEIGAPW-UHFFFAOYSA-N 352.390 4.229 30 40 FIEB C=C(C)COc1cccc(C(=O)Nc2cccc(C(=O)OCC)c2C)c1 219787786 NEMMMJGBOBGRKI-UHFFFAOYSA-N 353.418 4.379 30 40 FIEB N#Cc1cc(N)c(Cc2cccc(Cl)c2)n1CCOc1ccccc1 225861505 VEIKWMXKKUCNAS-UHFFFAOYSA-N 351.837 4.265 30 40 FIEB CCCCOC(=O)c1ccc(N/N=C2/Sc3ccccc3C2=O)cc1 137973153 DEFVDRWEHHRIHG-DYTRJAOYSA-N 354.431 4.358 30 40 FIEB O=C1N/C(=N/c2ccccc2Br)S/C1=C\c1ccccc1 5376268 VHNKGLSOZZLFPJ-UVTDQMKNSA-N 359.248 4.341 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2cccs2)C[C@H]1c1ccc(OC)cc1 2198078 AUJXMNWHWIFADL-QFBILLFUSA-N 356.443 4.076 30 40 FIEB CCCCOc1ccc(-n2c(N)c(C#N)c3nc4ccccc4nc32)cc1 2279567 YJCKISQRELLCLZ-UHFFFAOYSA-N 357.417 4.206 30 40 FIEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccs1 2775381 DJNSUGRTXHCBLI-GOSISDBHSA-N 359.491 4.305 30 40 FIEB Cc1cc(C)cc(/N=C2\C(=O)N(CN3CCC[C@H](C)C3)c3ccccc32)c1 4619972 DJRBOYMEIRDDGQ-DYYXWGBJSA-N 361.489 4.460 30 40 FIEB COc1ccc(-c2cc(N/C(=N/Cc3ccco3)SC)n[nH]2)c(OC)c1 4943050 KYWQTTZHWDFDAS-UHFFFAOYSA-N 372.450 4.018 30 40 FIEB C/C(=N\NC(=S)NCc1ccccc1)c1ccc(Cl)c(Cl)c1 5446214 CHOSEQDSYUQXQH-RGVLZGJSSA-N 352.290 4.382 30 40 FIEB C[C@H](C#N)Sc1[nH]c(=O)c(-c2nc(-c3ccccc3)cs2)cc1C#N 8942142 KSWHZASIMBUITG-LLVKDONJSA-N 364.455 4.041 30 40 FIEB C=CCc1cc(C(=O)Nc2cc(OC)c(Cl)cc2OC)ccc1OC 14397652 ZDNDDYHGHWGUPA-UHFFFAOYSA-N 361.825 4.347 30 40 FIEB Cc1ccc(C(=O)OCC(=O)/C=C2\N(C)c3ccccc3C2(C)C)s1 32942962 ZYXBFGXVKGAQRZ-WQRHYEAKSA-N 355.459 4.094 30 40 FIEB N#Cc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2cc(F)cc(F)c2)cc1 40285877 CNXIMUOYTUXTQP-MRXNPFEDSA-N 350.328 4.146 30 40 FIEB CCCCOc1ccc(C(=O)/C=C/Nc2ccc(C(=O)OC)cc2)cc1 44843064 OCYUHWHFYGVACL-BUHFOSPRSA-N 353.418 4.461 30 40 FIEB O=C1/C(=C/c2cnn(Cc3ccccc3)c2)CSc2ccc(F)cc21 96401363 SSBBUZMFGDGSMJ-LZYBPNLTSA-N 350.418 4.443 30 40 FIEB CC(C)=CCC1=C(O)[C@](O)(CC=C(C)C)C(O)=C(C(=O)CC(C)C)C1=O 100151010 RMFGNMMNUZWCRZ-OAQYLSRUSA-N 362.466 4.252 30 40 FIEB endogenous,in-man C=C1[C@@H]2C[C@@H]3[C@@H](c4ccc(N5CCOCC5)c(F)c4)OCC[C@@]3(C2)[C@@H]1C 257233033 GNLJSTVMIGWHQV-JZCCTDPDSA-N 357.469 4.342 30 40 FIEB COCCCN1C2=C(C(=O)CCC2)C(c2ccccc2)C2=C1CCCC2=O 409032903 JUAZXIALSFKABD-UHFFFAOYSA-N 365.473 4.137 30 40 FIEB FC(F)(F)CCOC(OCCC(F)(F)F)OCCC(F)(F)F 1772820765 NKMBAFUCPOFWOD-UHFFFAOYSA-N 352.193 4.177 30 40 FIEB Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccccc2)c1 1431193 DCTKZDDAXOIRCS-IBGZPJMESA-N 359.381 4.371 30 40 FIEB CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3C[C@@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@@]21C 1689707 ZDGBLAAWXWQTOP-GPCHTACPSA-N 370.489 4.041 30 40 FIEB Cc1cc(N/N=C/c2ccc(N3CCOCC3)cc2)nc2c(C)cccc12 5007742 QGKXTVOUHAVQTQ-HZHRSRAPSA-N 360.461 4.134 30 40 FIEB COc1ccc(CNc2oc(/C=C/c3ccccc3OC)nc2C#N)cc1 8474764 ZHYSQLCHFLXJPN-FMIVXFBMSA-N 361.401 4.346 30 40 FIEB Cc1cc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)c2ccccc2n1 24506951 SBINJEFMJUPFOB-UHFFFAOYSA-N 368.358 4.344 30 40 FIEB C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CC(=O)O)C[C@@H](O)C[C@@H]1O 38791535 MBLYZRMZFUWLOZ-ZTIKAOTBSA-N 374.521 4.238 30 40 FIEB in-vitro Cc1oc(-c2cccs2)nc1CC(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 41494753 ZIGWONTXKRTOGA-GFCCVEGCSA-N 362.414 4.007 30 40 FIEB Cc1cc([C@H](C#N)C(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)nc(C)n1 71810468 QFVRHBQQIKYVJY-KFWWJZLASA-N 359.351 4.092 30 40 FIEB C#CC[C@@H](Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)c1ccccc1 95441114 JPONJJYNXYFTBZ-LJQANCHMSA-N 363.417 4.007 30 40 FIEB O=C(NCc1ccco1)c1c(/N=C\c2ccco2)sc2c1CCCC2 408858462 SGXRBSSKAAXYFA-MTJSOVHGSA-N 354.431 4.494 30 40 FIEB Cc1nc2cc(C(=O)Nc3cccc(C#N)c3)ccc2n1-c1ccccc1 8281523 LKBZJWBOJXYQBK-UHFFFAOYSA-N 352.397 4.458 30 40 FIEB CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O 9420170 BTXRYXOHGDUNCB-WQRHYEAKSA-N 355.365 4.283 30 40 FIEB Cc1noc2c1[C@H](c1ccc(N(C)C)cc1)C1=C(CC(C)(C)CC1=O)N2 13122301 QHXQDXOZJMKXER-SFHVURJKSA-N 351.450 4.250 30 40 FIEB O=C(Cc1noc2ccccc12)Nc1cccc(C#Cc2cccs2)c1 25751982 NAGVSKPXXRWKHD-UHFFFAOYSA-N 358.422 4.470 30 40 FIEB N#Cc1nc(COc2ccc(Cl)cc2)oc1NCCc1cccs1 32624516 RDPCYQIXLQUCID-UHFFFAOYSA-N 359.838 4.495 30 40 FIEB Cc1cccc(/N=C2\NC(=O)/C(=C/c3ccc(N4CCCC4)o3)S2)c1 59138428 PGQRCHULMTWKLJ-VBKFSLOCSA-N 353.447 4.080 30 40 FIEB C=CCOc1ccc(NC(=O)C2(C)COC(c3ccccc3F)OC2)cc1 225920104 ZVAKIKTZCMDWTD-UHFFFAOYSA-N 371.408 4.081 30 40 FIEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(OCc3ccc(F)cc3)cc2)nc1 408744091 YQOLGWGAOVOIOG-SSDVNMTOSA-N 366.352 4.154 30 40 FIEB CC[C@H](C)Oc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1OC 408931060 GPFDEUKROMKWGB-CSUZIONRSA-N 368.477 4.460 30 40 FIEB N#CCCN(CCC#N)c1ccc(/C=C2/C=C(c3ccccc3)OC2=O)cc1 1578431 JITIWWAVXFZXIM-SILNSSARSA-N 369.424 4.302 30 40 FIEB COc1ccc(CC(=O)Nc2sc3c(c2C#N)CCCCCC3)cc1 2740685 RPDOFJHFVQSTEK-UHFFFAOYSA-N 354.475 4.469 30 40 FIEB CC[C@H](C)c1ccccc1N1C[C@H](C(=O)Nc2ccc(C#N)cc2)CC1=O 3429787 NZOFZPHLIYOCEJ-DOTOQJQBSA-N 361.445 4.063 30 40 FIEB C=CCn1c(S[C@@H](C)c2cccc([N+](=O)[O-])c2)nnc1-c1ccncc1 7171869 MIYWBCLTIMVVNH-ZDUSSCGKSA-N 367.434 4.288 30 40 FIEB Cc1nnc(S)n1/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 8227837 YZTYTTSXEIVNIZ-REZTVBANSA-N 353.234 4.324 30 40 FIEB Sc1nnc(-c2cccs2)n1/N=C/c1cccc(Cl)c1Cl 28379867 MXWMIKAMGXZYME-FRKPEAEDSA-N 355.275 4.484 30 40 FIEB C=CCNc1nc(N(c2ccccc2)c2ccccc2)nc(-n2ccnc2)n1 38141750 XNMNTOFNEHOCDS-UHFFFAOYSA-N 369.432 4.125 30 40 FIEB CCc1cccc(C)c1-n1c(C)cc(/C=C2\S/C(=N\C)N(C)C2=O)c1C 59105103 AQTUXARPVHCEDT-VOSKWGSBSA-N 367.518 4.497 30 40 FIEB CC1(C)OB(c2csc(-c3cccc(C(F)(F)F)c3)n2)OC1(C)C 198091793 PNKYXZBGSSHDPA-UHFFFAOYSA-N 355.190 4.128 30 40 FIEB COC(=O)C/N=C(\c1ccc(Cl)cc1)c1ccc(OC(F)(F)F)cc1 409288647 IOPXFZDIXBFJMA-CJLVFECKSA-N 371.742 4.249 30 40 FIEB CN(NC(=C1C(=O)c2ccccc2C1=O)c1ccccc1)c1ccccc1 727360 RPAWMHMZFQAZHT-UHFFFAOYSA-N 354.409 4.118 30 40 FIEB COC(=O)c1ccc(/N=C2\S/C(=C/c3ccccc3C)C(=O)N2C)cc1 1007947 GEVXUVVYIWXROW-MSYUKONTSA-N 366.442 4.015 30 40 FIEB O=C(OC/C(O)=N/c1ccc2ccccc2c1)c1cc(=O)c2ccccc2o1 3237613 UJVOYRPQWAXWKE-UHFFFAOYSA-N 373.364 4.391 30 40 FIEB O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc(Br)c3cccnc23)c1 3660623 PBWTZWUMVFSTSJ-DJKKODMXSA-N 372.178 4.362 30 40 FIEB C=CCn1c(SCc2ccccc2)nnc1[C@H]1COc2ccccc2O1 4936656 UQQLXZTZUHKSIX-GOSISDBHSA-N 365.458 4.269 30 40 FIEB C/C(C[C@@H](CC(=O)O)c1cn(Cc2ccccc2)c2ccccc12)=N\O 5260663 WFCCJWKTCQENHL-HINJULBWSA-N 350.418 4.488 30 40 FIEB COc1cccc(/C=C/c2nc(C#N)c(N3CCc4ccccc4C3)o2)c1 8494511 UMPWWJUCEUVZRH-MDZDMXLPSA-N 357.413 4.288 30 40 FIEB Cc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1ccccc1F 9108626 MRQMQGDGZIRULF-QKKBWIMNSA-N 374.419 4.141 30 40 FIEB N#Cc1nc(-c2ccco2)oc1NC[C@H](c1ccco1)N1CCCCC1 27992948 XVUMGJLEIMIVQA-OAHLLOKOSA-N 352.394 4.038 30 40 FIEB C#CCN(Cc1ccc(F)cc1)C(=O)c1csc(-c2ccsc2)n1 58156911 NZBWXFCOEZRVSM-UHFFFAOYSA-N 356.447 4.286 30 40 FIEB Cc1ccc([C@H](C2=C(O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)o1 100004491 VAYWSYYFZNECBO-FQEVSTJZSA-N 372.461 4.447 30 40 FIEB CCc1nnc([C@@H]2C(=N)S/C(=C\c3c(C)[nH]c4ccccc34)C2=O)s1 136191703 ZKUKPXKYRSEAAN-NOWVYUAUSA-N 368.487 4.308 30 40 FIEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(O)c(OC)c2)C(=O)N1C 213160046 WYEFHFIIKDHTPY-KDWIEBRMSA-N 368.458 4.197 30 40 FIEB Cc1ccc(Cc2nn(Cc3cccc4ccccc34)c(N)c2C#N)cc1 225848745 DKGKJJJYODUTPG-UHFFFAOYSA-N 352.441 4.438 30 40 FIEB Cc1cccc(COc2nn(Cc3cccc4ccccc34)c(N)c2C#N)c1 225848928 PPRTZECRPAWAKW-UHFFFAOYSA-N 368.440 4.426 30 40 FIEB CCOC(=O)Cn1cc(/C=C/C(=O)c2ccc(OC)cc2)c2ccccc21 408649983 FLQPSMILOQPAHS-JLHYYAGUSA-N 363.413 4.109 30 40 FIEB O=C1CSC(=S)N1/N=C\c1ccc(-c2ccccc2C(F)(F)F)o1 409199757 DOPVCEVEYGNOEH-GXHLCREISA-N 370.377 4.160 30 40 FIEB CSc1nc(Cl)c(/C=N/OC(=O)Nc2cccc(C)c2)c(Cl)n1 2570672 ZQSSUCSUKHNWAK-REZTVBANSA-N 371.249 4.396 30 40 FIEB C=CCn1c(C)cc(C(=O)COC(=O)CCc2c[nH]c3ccccc23)c1C 2662024 TZBDGMNGDZIMTQ-UHFFFAOYSA-N 364.445 4.131 30 40 FIEB CCCCOc1ccccc1[C@@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)CCC2 3901638 YFKJIKMHVVCAAM-HXUWFJFHSA-N 369.461 4.006 30 40 FIEB CC[C@@H]1S/C(=N\N=C\c2ccc(C)cc2)N(Cc2ccc(F)cc2)C1=O 5791248 ACPSFEZTRFDYIT-JCAVJTNVSA-N 369.465 4.378 30 40 FIEB CC1(C)CS/C(=N\Cc2ccccc2)N1C(=O)c1ccc([N+](=O)[O-])cc1 6378200 ZYDCXHSVSOHFSL-ZZEZOPTASA-N 369.446 4.119 30 40 FIEB CCOc1cc(/C=C/C(=O)c2cc(OC)ccc2OC)cc(Cl)c1O 8477785 DWSIWWRDPMGIRY-FNORWQNLSA-N 362.809 4.358 30 40 FIEB C[C@H]1CCc2c(sc(NC(=O)CN[C@H](C)c3ccc(F)cc3)c2C#N)C1 12860592 YGYIUUJKYSQVLH-QWHCGFSZSA-N 371.481 4.173 30 40 FIEB Cc1cc(C)c(C#N)c(SCC(=O)N(Cc2ccccc2)C(C)C)n1 12965375 DVCXHDNKTJSVHY-UHFFFAOYSA-N 353.491 4.099 30 40 FIEB Sc1nncn1/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 408811708 LVROYVABQXRASD-ZVBGSRNCSA-N 367.865 4.105 30 40 FIEB Cc1ccc2[nH]c(SCC(=O)Nc3sc4c(c3C#N)CCC4)nc2c1 2739582 JPZGTLSIVWQMBU-UHFFFAOYSA-N 368.487 4.024 30 40 FIEB Cc1ccc(-n2c(C)nnc2SCc2cn3ccccc3c2C#N)cc1 8747228 HVZIEDIXKSXQRB-UHFFFAOYSA-N 359.458 4.301 30 40 FIEB N#Cc1c(NC(=O)Cc2cccc(C(F)(F)F)c2)sc2c1CCC2 12775860 BYJRJUPWZXVTLQ-UHFFFAOYSA-N 350.365 4.308 30 40 FIEB C#CCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(C)cc3C)c2C)C1=O 13714481 HCXJYBBXIYBIFQ-UNOMPAQXSA-N 364.470 4.380 30 40 FIEB C=CCN1C(=O)/C(=C\c2ccccc2)S/C1=N\c1cccc([N+](=O)[O-])c1 33340219 SXRKRWONZCOWKI-QHHAONBESA-N 365.414 4.385 30 40 FIEB C=CCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1cc(C)ccc1C 44902306 XGYXNWCQBVVUML-LJQANCHMSA-N 366.461 4.015 30 40 FIEB N#Cc1nc([C@@H]2C[C@H]2c2ccccc2)oc1N1CCN(c2ccccc2)CC1 96346647 UQVAUVPNCAHIOZ-VQTJNVASSA-N 370.456 4.144 30 40 FIEB C#CCOc1ccc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc1Cl 408531803 RHUWEYGINQFWOD-ATVHPVEESA-N 368.845 4.244 30 40 FIEB Cc1[nH]c(=N)c(C#N)c(-c2cc3c(cc2Cl)OCO3)c1-c1ccccc1 408980285 QHAPOATWBDNAFK-UHFFFAOYSA-N 363.804 4.390 30 40 FIEB Cc1cc(/C=N/NC(=S)NCc2ccccc2)c(C)n1-c1ccccc1 980699 CRTNVVVTWYWICT-HZHRSRAPSA-N 362.502 4.092 30 40 FIEB CCOc1ccc(/C(C)=N\Nc2nnc3c4ccccc4n(CC)c3n2)cc1 4729165 IGJBWMQDCRGUMB-UCQKPKSFSA-N 374.448 4.234 30 40 FIEB O=C1C[C@H](c2ccc(Cl)c(Cl)c2)C2=C(O1)C(=O)c1ccccc1C2=O 4751346 ANHGBJIYAICRGQ-GFCCVEGCSA-N 373.191 4.357 30 40 FIEB N#Cc1ccc(OCC(=O)c2ccc(OC(F)F)cc2OC(F)F)cc1 5868242 ZVVLINRKMRPQGR-UHFFFAOYSA-N 369.270 4.023 30 40 FIEB CCOC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O 5901067 HFSCHEJMZMIRDX-BJZWWFBTSA-N 364.397 4.189 30 40 FIEB O=C1C[C@H](/C=C/c2ccccc2)CC2=C1[C@@H](c1cccs1)n1ncnc1N2 9190055 GDLSCJKRWVENMI-STBQITDASA-N 374.469 4.301 30 40 FIEB C#CCOc1cccc(CN[C@H](Cc2ccsc2)c2nccs2)c1 19014296 UOHWVOWOPYKHRB-GOSISDBHSA-N 354.500 4.290 30 40 FIEB CC(=O)NC1(/C(N)=N/OCc2c(Cl)cccc2Cl)CCCCCC1 48303401 YKRJPQKEVCUJRX-UHFFFAOYSA-N 372.296 4.011 30 40 FIEB C=CCCC(=O)Nc1ccc(NC(=O)[C@@H](C)n2nc(C)cc2C)c(Cl)c1 60365140 FJSDJMTXSVNZCU-CQSZACIVSA-N 374.872 4.258 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccsc2)C[C@H]1c1ccc(OCC)cc1 69374878 XNWYKNFLUCKENO-ICSRJNTNSA-N 370.470 4.466 30 40 FIEB N#Cc1ccc(N2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)c([N+](=O)[O-])c1 79061754 CJDVWTCLFKADIA-MRXNPFEDSA-N 367.796 4.338 30 40 FIEB N#Cc1ccc(NCc2cccc(CN3CCCC3=O)c2)c(C(F)(F)F)c1 95399215 YEHQCRBEVQPJKZ-UHFFFAOYSA-N 373.378 4.312 30 40 FIEB FC(F)(F)C(F)(F)[C@@](F)(/C=C\I)C(F)(F)F 137939055 JLNNSBACHLCUOY-HTZFQVBLSA-N 371.968 4.403 30 40 FIEB C#CCOc1ccc(Br)cc1/C=C1\Cc2ccccc2C1=O 409370747 AWYKQGZNBUAWEU-RVDMUPIBSA-N 353.215 4.284 30 40 FIEB N#C[C@@H](C(=O)C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1Cl 1613798 VWTGJKGXJRKZBQ-CYBMUJFWSA-N 366.726 4.174 30 40 FIEB N#Cc1ccccc1OCC(=O)Nc1ccc(Cl)cc1C(F)(F)F 3344042 CBILTJIWPAMMHU-UHFFFAOYSA-N 354.715 4.248 30 40 FIEB COCCSc1nc(-c2ccc(OC)cc2)cc(C(F)(F)F)c1C#N 8843600 UWPLITPRKLTLOA-UHFFFAOYSA-N 368.380 4.386 30 40 FIEB CCN1C(=O)/C(=C\c2cccc(OC)c2O)S/C1=N\c1ccc(C)cc1 4660309 BVMMDNRTQZYBLQ-MSYUKONTSA-N 368.458 4.333 30 40 FIEB CC(C)(C)c1ccc(/C=N/OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 5752709 WVFAJNGFTKKYIF-ZVHZXABRSA-N 368.521 4.420 30 40 FIEB Cc1nn2c3ccccc3n(C)c2c1C(=O)/C=C/c1c(F)cccc1F 8337838 ZEVMROULXCYZBL-ZHACJKMWSA-N 351.356 4.309 30 40 FIEB Oc1cccc(/C=N/Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c1 408718827 AERSOZSZURJLSN-RREIPUBJSA-N 352.209 4.413 30 40 FIEB CCc1ccc(-n2c(C)cc(/C=N\Nc3ccc([N+](=O)[O-])cn3)c2C)cc1 38196256 IBSBGMYNGLETNW-UUYOSTAYSA-N 363.421 4.406 30 40 FIEB N#CCc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1 38849845 WGUMLPGAYNSDQW-GOSISDBHSA-N 367.880 4.257 30 40 FIEB N#C[C@]1(c2ccccc2)O[C@H](c2ccccc2)[C@@H]2CCC[C@]21N1CCOCC1 230037669 BHMNGRKKDHUTQG-UARRHKHWSA-N 374.484 4.048 30 40 FIEB N#Cc1ccc(C[C@H](C#N)C(=O)N2CC3(CCCC3)c3cccc(F)c32)cc1 619311674 BNCZRQSMQRSXEP-GOSISDBHSA-N 373.431 4.238 30 40 FIEB Oc1c(Br)cc(Cl)cc1/C=N/c1ccc2[nH]ncc2c1 805639 DZHXMNKNVBEPEK-UBKPWBPPSA-N 350.603 4.435 30 40 FIEB C=CCc1cccc(/C=N\n2c(S)nnc2-c2ccc(Cl)cc2)c1O 2280426 IMTKZZBHOQVUNU-JAIQZWGSSA-N 370.865 4.204 30 40 FIEB C/C(=N\Nc1ncnc2sc(C)c(C)c12)c1ccc(-n2ccnc2)cc1 6210981 HHVAXDGTNHUPTR-YDZHTSKRSA-N 362.462 4.330 30 40 FIEB O=C(Nc1ccc(Cl)cc1)O/N=C/c1c(Cl)nc2sccn12 2557522 JZOHOXZAVYUFKN-FRKPEAEDSA-N 355.206 4.285 30 40 FIEB CCOc1ccc(CC(=O)Nc2sc3c(c2C#N)CCC3)cc1OCC 720598 UDYSPSYPOMBKPP-UHFFFAOYSA-N 370.474 4.087 30 40 FIEB COc1ccc(-n2c(SCC#N)nnc2-c2ccccc2Cl)cc1 3492333 KQVWZVIKBOSSRS-UHFFFAOYSA-N 356.838 4.212 30 40 FIEB CCc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(N(C)C)cc2)S1 5519991 ITTQJOBJJIRHGG-AQTBWJFISA-N 351.475 4.207 30 40 FIEB C=CC(=O)N1C/C(=C\c2ccc(F)cc2)C(=O)/C(=C/c2ccc(F)cc2)C1 5838758 JTMAQMMHQYJZRV-JYFOCSDGSA-N 365.379 4.029 30 40 FIEB C[C@@H]1CC(=O)C2=C(C1)Oc1c(c(=O)[nH]c3ccccc13)[C@H]2c1ccccc1 9926831 VUITYKVCLXDPEI-YJYMSZOUSA-N 357.409 4.306 30 40 FIEB C=CCOc1cccc(NC(=O)c2ccc(CN3CCCCC3)cc2)c1 10335434 ALWDVECJOXTOMI-UHFFFAOYSA-N 350.462 4.490 30 40 FIEB C=CCNC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1ccc(C)cc1 16310817 ZWSKUUHTGMUOMW-OAHLLOKOSA-N 354.475 4.030 30 40 FIEB C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1 16956911 QJMNLXGVZGRYKH-GOSISDBHSA-N 367.832 4.413 30 40 FIEB Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1cccc(C#N)c1 44757963 JANODCIFHZTRLB-UHFFFAOYSA-N 355.397 4.371 30 40 FIEB N#Cc1nc(-c2ccc(Br)o2)oc1NCCOc1ccccc1 96346474 YGYHZVBXEIMGPP-UHFFFAOYSA-N 374.194 4.060 30 40 FIEB C=CCOC[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 97957392 PQMAXQVNXSOWGI-YFKPBYRVSA-N 356.131 4.224 30 40 FIEB CC1(C)C[C@@H](C(=O)Nc2nc3c(cc2C#N)CCCC3)c2ccccc2O1 333162633 OGKXVRCRRFGNPY-QGZVFWFLSA-N 361.445 4.115 30 40 FIEB COc1ccc2c(c1)OCc1sc(/N=C/c3ccccc3OC)nc1-2 408723230 RMNOEIWCTPRSRV-KEBDBYFISA-N 352.415 4.470 30 40 FIEB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N/c1cccc(Br)c1 408740994 NKPFKCCSFGFONM-ZVCOJXFSSA-N 356.223 4.190 30 40 FIEB Cc1c(-c2ccccc2)sc2ncn(Cc3cccc(C#N)c3)c(=O)c12 5291381 OQWAZSJORXKMPK-UHFFFAOYSA-N 357.438 4.353 30 40 FIEB COc1ccc(/N=C2/NC(=O)S/C2=C\c2cccc([N+](=O)[O-])c2)cc1 5661420 LLSXFSPATAUNDQ-GDNBJRDFSA-N 355.375 4.131 30 40 FIEB C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@@]21C 12656612 VUOXWYSHLSLTID-CCSDVLNMSA-N 352.474 4.486 30 40 FIEB biogenic CCCCCCCCCCCC(=O)N[C@@H](C(=O)O)[C@H](O)c1ccccc1 17433615 ITWIIXBTXPJQJZ-WOJBJXKFSA-N 363.498 4.210 30 40 FIEB Cc1nc(SCC(=O)/C=C2\N(C)c3ccccc3C2(C)C)nc(C)c1C 32666579 ADJDVZFYWULRSC-ODLFYWEKSA-N 367.518 4.375 30 40 FIEB C#CCOc1cccc([C@H]2CC(O)=Nc3c2ncn3-c2ccc(OC)cc2)c1 36358913 HHIRDCZCEZXCPA-LJQANCHMSA-N 373.412 4.017 30 40 FIEB Cc1nc(NC(=O)c2csc(-c3ccccc3)n2)sc1SCC#N 44789737 LSTXUAWNWXPFEG-UHFFFAOYSA-N 372.500 4.443 30 40 FIEB CCCOc1ccc(/C=N/NC(=S)Nc2cccc(C)c2C)c(O)c1 3220386 DLAMLRSAACTQKI-UDWIEESQSA-N 357.479 4.118 30 40 FIEB O=C1Nc2ccccc2/C1=N/Nc1nc(-c2ccc(Cl)cc2)cs1 4334440 WWSNGYQKCSGBIT-UHFFFAOYSA-N 354.822 4.232 30 40 FIEB CCOc1ccc(/C=N/N=c2/[nH]c(-c3ccc(OC)cc3)c(C)s2)cc1 4811782 YQDBKEXAUCONLR-FYJGNVAPSA-N 367.474 4.394 30 40 FIEB N#CCC[C@H](C#N)CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 12890547 RVQOPMUGTHYEGQ-CYBMUJFWSA-N 362.462 4.297 30 40 FIEB CCN1C(=O)/C(=C\c2ccc(C#N)cc2)S/C1=N\c1ccc(F)cc1 13880340 SEFQFTWHEWILCD-AVJLYGTLSA-N 351.406 4.321 30 40 FIEB CCc1nnc(/N=C(\O)CN(C)Cc2ccc(Cl)c(Cl)c2)s1 24529325 JKEHKYPYLIRSCQ-UHFFFAOYSA-N 359.282 4.127 30 40 FIEB COc1ccc(/C=N/c2ccc(I)cc2)cc1OC 95851147 SFKGBUCNJMWUOX-LICLKQGHSA-N 367.186 4.059 30 40 FIEB N#Cc1cn(C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2ccccc12 226361927 LETNVNPRGYGTTN-UHFFFAOYSA-N 357.325 4.370 30 40 FIEB C#CCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1 408970410 HNDDASYDZUVTRL-LGMDPLHJSA-N 370.330 4.047 30 40 FIEB Cc1cc(/C=N/c2cccc(C(=O)O)c2)c(C)n1-c1cccc([N+](=O)[O-])c1 2268508 FJJVJTFKNGFKQR-CIAFOILYSA-N 363.373 4.451 30 40 FIEB CCCc1cc(=O)[nH]c(N/N=C/c2c(Cl)ccc(Cl)c2Cl)n1 4423984 VPTOSACAIXYAMU-CNHKJKLMSA-N 359.644 4.129 30 40 FIEB Cc1cc(N/N=C/c2ccnc3ccccc23)c2cc3c(cc2n1)OCO3 5552560 CTQCNYFFHNAUQF-FOKLQQMPSA-N 356.385 4.266 30 40 FIEB O=C(O)C(=O)/C(=C/c1ccc(C(F)(F)F)cc1)c1ccc2ccccc2n1 12609594 PALNSQPEJNGFLE-RVDMUPIBSA-N 371.314 4.448 30 40 FIEB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCC#Cc1ccccc1 12731441 NJRQQDJIXFWCAJ-UHFFFAOYSA-N 368.795 4.224 30 40 FIEB N#Cc1ccc(NC(=O)c2ccc(OCc3cn4ccccc4n3)cc2)cc1 12767728 NACZFAVAVSZQCN-UHFFFAOYSA-N 368.396 4.037 30 40 FIEB O=C1/C(=C\c2cnn(Cc3ccccc3)c2)CSc2c(F)cccc21 32820145 XSUXALNWYHIFAB-SXGWCWSVSA-N 350.418 4.443 30 40 FIEB Cc1csc(NC(=O)CSc2nc3cc(C)c(C)cc3cc2C#N)n1 35289104 PRQFEPYUJMEWLS-UHFFFAOYSA-N 368.487 4.219 30 40 FIEB CCCCOc1ccc(C(=O)/C=C/Nc2ccc(S(C)(=O)=O)cc2)cc1 44843288 AUWXIIGVPXJCMP-BUHFOSPRSA-N 373.474 4.078 30 40 FIEB Cc1cc(Br)ccc1NC(=O)Cn1cc(C#N)c2ccccc21 51319149 YHOHQOZBZXMGEJ-UHFFFAOYSA-N 368.234 4.223 30 40 FIEB N#Cc1ccc(OCc2ccccc2Cl)c(I)c1 216812115 ZUTZPDBGBMTERO-UHFFFAOYSA-N 369.589 4.395 30 40 FIEB C=CCc1cc(C(=O)Nc2ccccc2C(=O)N(CC)CC)ccc1OC 408703175 ODQHFERYEXBWHX-UHFFFAOYSA-N 366.461 4.158 30 40 FIEB COc1ccc(NC(=O)COc2ccc(/C=N\c3ccccc3)cc2)cc1 408809189 NKOZKYDRCSXSCR-HAHDFKILSA-N 360.413 4.463 30 40 FIEB CC(C)(C)c1nn(Cc2cc(F)ccc2OC(F)F)c(O)c1CCC#N 596260356 KCFDNQNIOCULHZ-UHFFFAOYSA-N 367.371 4.131 30 40 FIEB CC(=O)c1nn(-c2ccc(Br)cc2)c(-c2cccs2)c1C#N 987994 PPACUQSQRVWNFV-UHFFFAOYSA-N 372.247 4.438 30 40 FIEB COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccco2)C3=O)c1 5960616 RRFBSMIPUGAOTF-ODLFYWEKSA-N 362.337 4.124 30 40 FIEB biogenic COc1ccc(Br)c2c1/C(=N/OC(=O)c1cccs1)CC2 8115823 QLHNWSNZKLNOIE-GZTJUZNOSA-N 366.236 4.027 30 40 FIEB COc1ccc(Br)cc1/C=N/NCc1ccccc1Cl 8811799 CBFRHLFOJGFOAO-VXLYETTFSA-N 353.647 4.235 30 40 FIEB CN1C(=O)/C(=C/c2ccccc2)S/C1=N/c1ccc(Cl)c(C(=O)O)c1 100260940 XODVTPHXNRREAL-LBVWADOBSA-N 372.833 4.272 30 40 FIEB N#Cc1c(N)nc(SCc2cccc(F)c2)nc1Cc1ccccc1F 223675473 OLPDFEIXWHTRPI-UHFFFAOYSA-N 368.412 4.092 30 40 FIEB C=CCN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224965843 BYUCUXMXZDYAKW-UHFFFAOYSA-N 373.808 4.008 30 40 FIEB C[C@@H](NC(=S)Nc1ccc(CC#N)cc1)c1ccc(N2CCCC2)cc1 225694641 LEGQEMOTNBVQSO-MRXNPFEDSA-N 364.518 4.400 30 40 FIEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(N4CCCC4)cc3)S2)cc1 408959795 GBAPYCCRZTUFKU-RGEXLXHISA-N 363.486 4.487 30 40 FIEB CC(C)COc1c(Br)cc(/C=N/O)cc1Br 409054968 HMFDYRXXISMUFS-LHHJGKSTSA-N 351.038 4.055 30 40 FIEB CCOc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(Cl)c1OCC 409088995 GVNLSDMVWJULTI-GDNBJRDFSA-N 371.820 4.482 30 40 FIEB Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2ccccc2C)n1 2266960 YYZZGFFHLUDUST-UHFFFAOYSA-N 365.380 4.320 30 40 FIEB Cc1cc(N2CCCC2)c(F)cc1/C=N/c1ccc(N2CCOCC2)cc1 6792611 GFESCNZULHBQFI-LFVJCYFKSA-N 367.468 4.322 30 40 FIEB N=C(N/N=C\c1cccc2ccccc12)N/N=C/c1cccc2ccccc12 8622597 DSIMGAKNHDMJLZ-WFOJNGAISA-N 365.440 4.475 30 40 FIEB Cc1cccc(OCCCC(=O)N[C@](C)(C#N)CCc2ccccc2)c1 84211208 IBUZVINSUNLJFR-QFIPXVFZSA-N 350.462 4.185 30 40 FIEB O=C1OC(c2ccccc2)=C/C1=N/N=C(c1ccccc1)c1ccccc1 1437495 YGLUFGZLWHKFJF-GFMRDNFCSA-N 352.393 4.478 30 40 FIEB COC(=O)c1ccc(/N=C2/NC(=O)/C(=C\c3ccccc3Cl)S2)cc1 4691482 BFXAFBTYDYNZNQ-XNTDXEJSSA-N 372.833 4.018 30 40 FIEB CCCCCCCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1C 408560579 LDEANZUCPFMVPC-UHFFFAOYSA-N 364.490 4.198 30 40 FIEB C=CCSc1ccccc1C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 222721499 YUWPVNNHKVDPPP-AWEZNQCLSA-N 355.459 4.227 30 40 FIEB CCCCCCCNC(=O)/C(=C\c1ccc(C)cc1)n1ccccc1=O 97960184 WTUHJNXTFZLMKC-LVZFUZTISA-N 352.478 4.241 30 40 FIEB C#CC[C@H](CC(F)(F)F)NC(=O)c1cccc(SC(F)(F)F)c1 583650966 CDRRDSZYAIRDTB-SNVBAGLBSA-N 355.303 4.373 30 40 FIEB C=CCc1cc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)CC)ccc1OC 14400919 LCFGBKXAOJMSIG-HNNXBMFYSA-N 366.461 4.204 30 40 FIEB Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)/C=C/c1cscn1 50314145 PCDBIVNMXGAJEI-QPJJXVBHSA-N 362.414 4.162 30 40 FIEB CCOC(=O)[C@@H](C)Sc1nc(-c2ccco2)cc(C(F)(F)F)c1C#N 804076 UXXNENDSEHTONJ-SECBINFHSA-N 370.352 4.276 30 40 FIEB CCN(CCC#N)c1ccc(CNCCc2ccc(OC)cc2)c(C)c1 5689560 MVASHOSJSRSUFW-UHFFFAOYSA-N 351.494 4.076 30 40 FIEB Cc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 6845036 YSQOVBFVUIMAEM-LBPRGKRZSA-N 369.515 4.180 30 40 FIEB N#Cc1c(NC(=O)CN2CCC[C@H]2c2cccs2)sc2c1CCCC2 8320737 DQZNAOLIAAGNLE-HNNXBMFYSA-N 371.531 4.336 30 40 FIEB COc1cccc(/C=C2\Oc3cc(OC(=O)c4ccco4)ccc3C2=O)c1 12663006 BGZKBPHFNBIPRG-ODLFYWEKSA-N 362.337 4.124 30 40 FIEB biogenic CCCCOc1ccc(/C=C2\C(=O)ON=C2c2ccccc2)cc1OC 17154781 SSYDIPABTIPZKW-LGMDPLHJSA-N 351.402 4.219 30 40 FIEB C=C(C)COc1ccc(-c2[nH]ncc2-c2ccc(OC)c(OC)c2)c(O)c1 18091290 IVPPXEBYDMTEQN-UHFFFAOYSA-N 366.417 4.421 30 40 FIEB Cc1cc(N/N=C\c2ccnc3ccccc23)c2cc3c(cc2n1)OCO3 31769280 CTQCNYFFHNAUQF-KSEXSDGBSA-N 356.385 4.266 30 40 FIEB N#CCSc1nc2ccsc2c(=O)n1-c1cccc(C(F)(F)F)c1 32093568 IXRKCVMTKYCLAD-UHFFFAOYSA-N 367.377 4.082 30 40 FIEB COc1ccc(C(=O)Nc2sc(C)c(C)c2C#N)cc1Br 37977004 SFCVNAICNLVNMB-UHFFFAOYSA-N 365.252 4.260 30 40 FIEB C=CCn1c(-c2ccc(C)cc2)cnc1SCC(=O)Nc1cc(C)on1 44085727 JPISKCMMMZETFP-UHFFFAOYSA-N 368.462 4.072 30 40 FIEB COC(=O)c1ccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 83895732 WQIDANQSMYZEBR-CYBMUJFWSA-N 370.817 4.226 30 40 FIEB N#Cc1ccc(CSCC(=O)Nc2cc(Cl)cc(Cl)c2O)cc1 95983103 VKKYUFXQKIZAKJ-UHFFFAOYSA-N 367.257 4.443 30 40 FIEB C#CCn1/c(=N/C(=O)c2cccc3ccccc23)sc2cc(F)ccc21 100875413 HJYKSKBEOZOICX-LNVKXUELSA-N 360.413 4.369 30 40 FIEB Cc1cc(C)c(S(=O)(=O)/N=C2/C=C(Cl)C(=O)c3ccccc32)c(C)c1 102628644 HLJRCIYHVLUCHR-FXBPSFAMSA-N 373.861 4.109 30 40 FIEB CC(C)(C)OC(=O)[C@H]1[C@H](c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1(C)C 202744415 NVWPCKPMXKHQQI-DLBZAZTESA-N 372.314 4.067 30 40 FIEB N#Cc1cn(C(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c2ccccc12 226362655 MJHINSDLJZYODS-UHFFFAOYSA-N 374.400 4.100 30 40 FIEB CCOc1ccc(N=C2NC(=O)/C(=C/c3ccc(O)c(Cl)c3)S2)cc1 408768518 GQSQXXTXMQUPFX-YBEGLDIGSA-N 374.849 4.336 30 40 FIEB COc1ccc(/C=N/Nc2cc(Cl)nc(-c3ccccc3)n2)c(OC)c1 4713174 CGRXKRGCXSPAHT-CIAFOILYSA-N 368.824 4.260 30 40 FIEB COc1ccccc1OCCn1cc(C#N)c2cc(Br)ccc21 59109386 LCYDYKKVCCKSLH-UHFFFAOYSA-N 371.234 4.363 30 40 FIEB CCCCCCCN/C(C)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1C 103014750 ZYTBQIHLMZQWQH-NBVRZTHBSA-N 358.442 4.151 30 40 FIEB COc1ccc(-c2csc(NC(=O)c3ccc(C#N)cc3)n2)cc1CC#N 12599024 NKHJZMJLRXWCIT-UHFFFAOYSA-N 374.425 4.009 30 40 FIEB Cc1ccccc1NC(=O)CSc1nc(-c2ccccc2)nc(C)c1C#N 27789290 VQRRXITWAFFODT-UHFFFAOYSA-N 374.469 4.363 30 40 FIEB C/C(CC[C@@H]1CC(C)(C)OC1=O)=N/N=c1/[nH]c(-c2ccccc2)cs1 26533252 PKAFYLKDFCQTSX-PJMHOZITSA-N 357.479 4.142 30 40 FIEB Cc1sc2ncn(/N=C/c3ccc(Cl)c(Cl)c3)c(=O)c2c1C 6902389 KBXXYTFGHPDQRR-KPSZGOFPSA-N 352.246 4.264 30 40 FIEB N#Cc1cnc(N2CCCCC[C@@H]2C[C@H](O)c2ccccc2)c(Cl)c1 75106879 HWRJKPYLFYBQOI-MJGOQNOKSA-N 355.869 4.479 30 40 FIEB Cc1ccc(C(=O)O)cc1/N=C\c1ccccc1I 408551244 MRMXXQOHDVXLRM-MFOYZWKCSA-N 365.170 4.048 30 40 FIEB N#C[C@H](Cc1cccn1-c1cccc(Cl)c1)C(=O)NCc1ccccc1 44900992 XJFOIZOJXTZOJA-KRWDZBQOSA-N 363.848 4.129 30 40 FIEB C=CCOc1cc(C(=O)NCCCc2cccc(F)c2)cc2occc12 223276959 ASCWZNBEPJNZBN-UHFFFAOYSA-N 353.393 4.499 30 40 FIEB C=CCOc1ccccc1/C=C1\SC(Nc2ccc(O)cc2)=NC1=O 5376503 DJWRGADMRAAZFV-ATVHPVEESA-N 352.415 4.039 30 40 FIEB CCCC/N=C1\S/C(=C\c2ccc(O)c(OC)c2)C(=O)N1CCCC 5552245 OELKKTLPKVIQRA-CJGMICOPSA-N 362.495 4.273 30 40 FIEB COc1ccc(OCc2nc(C#N)c(NCc3ccccc3Cl)o2)cc1 794768 ATBVPFOKLJJQGP-UHFFFAOYSA-N 369.808 4.399 30 40 FIEB C#CCOc1ccc(/C=C2/C(=O)N(c3ccc(C)cc3C)N=C2C)cc1OC 4543773 KQBFTBMOLBHLSS-CPNJWEJPSA-N 374.440 4.130 30 40 FIEB C/C(=N\Nc1c(F)c(F)c(Br)c(F)c1F)c1ccncc1 4550540 XFLWODKPIYJCHF-CGOBSMCZSA-N 362.124 4.237 30 40 FIEB Cn1c(N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)nc2ccccc21 7343360 USEURSWVQWRSDL-UDWIEESQSA-N 361.361 4.188 30 40 FIEB C=CCOc1ccc(/C=C2/SC(Nc3ccccc3)=NC2=O)cc1OC 15011877 OHALVWCCHJXMFB-QGOAFFKASA-N 366.442 4.342 30 40 FIEB CCCCCCCCCCOC(=O)C[N+](C)(C)C[C@@H]1CCCC[C@@H]1O 17595880 RSXRUILBVIGUDZ-PMACEKPBSA-N 356.571 4.298 30 40 FIEB CN(C)/C=C/C(=C\C(=O)C(F)(F)F)Nc1ccc(C(F)(F)F)cc1 50400374 BGPHVZCDJOJOFG-ANKZSMJWSA-N 352.278 4.208 30 40 FIEB C=CCN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(OC)cc1 224865874 YPBPTWDJCKSFGF-UHFFFAOYSA-N 371.380 4.095 30 40 FIEB N#Cc1c(Cc2cccc(F)c2)nn(Cc2cccc3ccccc23)c1N 225848788 PRKRXQVVLXZMRB-UHFFFAOYSA-N 356.404 4.268 30 40 FIEB Cc1ccc(CN2CCC[C@H]2c2cccc(Nc3ccc(C#N)nc3)n2)o1 585294390 DQQMIRKBWDEPTA-FQEVSTJZSA-N 359.433 4.330 30 40 FIEB CCN(CC)c1ccc(/C=N\n2c(-c3ccccc3)n[nH]c2=S)cc1 2321042 YZPDNWMCHOUBFR-ZHZULCJRSA-N 351.479 4.336 30 40 FIEB N#Cc1ccsc1NC(=O)COc1ccc(Cl)cc1Br 2654348 FQCJVMHUPQFFHV-UHFFFAOYSA-N 371.643 4.053 30 40 FIEB O=C1C(=Cc2c[nH]c3ccc(Br)cc23)C(=O)c2ccccc21 3232644 SEUKCMXNRYRETK-UHFFFAOYSA-N 352.187 4.393 30 40 FIEB CCOc1ccc(/C=C/C(=O)c2cc3ccccc3oc2=O)cc1OC 3911124 ILGYOIOHGGNQLD-CSKARUKUSA-N 350.370 4.096 30 40 FIEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)C/C=N/O 4897261 WSHRNOHWOVLOQJ-OGIPFVCISA-N 359.510 4.346 30 40 FIEB COc1ccc(Br)cc1/C=C/C(=O)c1ccc([N+](=O)[O-])cc1 5128191 TUDPSXQSHXYRTQ-XBXARRHUSA-N 362.179 4.262 30 40 FIEB COc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c(OC)c1 5528129 BNNCOMGNGCQMFM-LLVKDONJSA-N 356.447 4.014 30 40 FIEB N#Cc1ccccc1NC(=O)CN(Cc1ccccc1)Cc1ccccc1 8394276 NGDDKXSLDUONKY-UHFFFAOYSA-N 355.441 4.199 30 40 FIEB CCn1c(Cc2ccccc2)nnc1SCc1cn2ccccc2c1C#N 14182268 LRPDXUGSYIPGAG-UHFFFAOYSA-N 373.485 4.305 30 40 FIEB O=C1N/C(=N\c2ccccc2)S/C1=C/c1cc([N+](=O)[O-])ccc1Cl 20508844 VHOGRBCPYPDUJV-NTEUORMPSA-N 359.794 4.140 30 40 FIEB Cc1nn(Cc2cccc(Cl)c2)c(C)c1NC(=O)c1ccc(C#N)cc1 28303778 JIANYXRYBZLDMU-UHFFFAOYSA-N 364.836 4.326 30 40 FIEB CCCOc1ccc(/C=N\OCC(=O)Nc2ccc(F)cc2)cc1OCC 33648894 GSBNSQCUQDGVPM-XKZIYDEJSA-N 374.412 4.002 30 40 FIEB CC(C)(C)c1ccc(-c2n[nH]c(=S)n2/N=C\c2ccc(O)cc2O)cc1 37492628 FDHREDWHQNDUKI-JAIQZWGSSA-N 368.462 4.199 30 40 FIEB Cc1nccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)n1 79793922 JYIMNRWSTMRIAQ-LBPRGKRZSA-N 354.479 4.122 30 40 FIEB CCCCCCCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccco1 102414479 CILQFTBJDLJFRD-SFHVURJKSA-N 373.449 4.084 30 40 FIEB COc1ccc(/C=N/c2nc3c(s2)COc2cc(OC)ccc2-3)cc1 408722111 DXVLIRPYKMZGIP-KEBDBYFISA-N 352.415 4.470 30 40 FIEB CCc1nnc(S)n1/N=C/c1ccccc1OCc1cccc(Cl)c1 408850857 SIFHLRARCQKBAK-RGVLZGJSSA-N 372.881 4.244 30 40 FIEB CCOc1ccc(/C=C2\C(=O)ON=C2c2ccccc2)cc1Br 409077804 ACQRKQMEKUQKRU-UVTDQMKNSA-N 372.218 4.192 30 40 FIEB Cc1ccc(C(=O)O)cc1-c1ccc(C=C2C(=O)c3ccccc3C2=O)o1 1053369 DYKVNHBLLHDFTK-UHFFFAOYSA-N 358.349 4.416 30 40 FIEB Cc1nc(-c2ccc(CCNC(=O)c3ccc(C#N)cc3)s2)cs1 12396633 AOWUAIQDTXTFFU-UHFFFAOYSA-N 353.472 4.024 30 40 FIEB CCc1c(C)sc(NC(=O)/C=C/c2ccc(OC)c(OC)c2)c1C#N 995732 RQJIEBCOEQBFOX-VQHVLOKHSA-N 356.447 4.160 30 40 FIEB CC(C)(C(=O)/N=C1/N=C2C=CC=CN2Cc2ccccc21)c1ccccc1 3165628 HLUAPESYTKFBTG-NJNXFGOHSA-N 355.441 4.235 30 40 FIEB CC(C)=NNc1nc2c(OC(F)F)cc(Br)cc2s1 57328258 OYVDDURNOOAYMO-UHFFFAOYSA-N 350.188 4.468 30 40 FIEB Cc1cc(/C=N\c2cccc(I)c2)cc(C)c1O 107968829 WXKJVZMVQZTFAI-MFOYZWKCSA-N 351.187 4.364 30 40 FIEB Cc1ccc(/C=C2/SC(=Nc3ccc([N+](=O)[O-])cc3Cl)NC2=O)cc1 408752076 FGVQKTNKQBUKCT-OVCLIPMQSA-N 373.821 4.448 30 40 FIEB CN(C)C(=O)[C@@H](Oc1ccc(-c2ccc(C#N)cc2)cc1)c1ccccc1 5461489 GYDXPRLZZAQVIT-QFIPXVFZSA-N 356.425 4.434 30 40 FIEB C#CCOc1ccc(CN[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1OC 36612293 KLOHLPHBDYJFKS-KTIUQTLCSA-N 353.506 4.402 30 40 FIEB CCOc1ccc2nc(N/N=C(/C#N)C(=O)c3ccc(F)cc3)sc2c1 16693067 BYVSMIQRMUILEP-JCMHNJIXSA-N 368.393 4.008 30 40 FIEB C=CCOC(=O)c1ccc(-c2ccc(I)cc2C)o1 226301941 OIZBUGIWKATGKO-UHFFFAOYSA-N 368.170 4.202 30 40 FIEB O=[N+]([O-])c1ccccc1N/N=C/c1ccc(OC(F)F)cc1OC(F)F 6047131 NBKYDPLVHAXLBW-DNTJNYDQSA-N 373.262 4.244 30 40 FIEB COc1ccc(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 6250356 RJXAIWJPDAXQST-CYBMUJFWSA-N 354.475 4.324 30 40 FIEB CCOc1cc(C#N)cc(Br)c1OC(=O)c1ccc(C)cc1 7062789 VUFQYYJGYAPZIU-UHFFFAOYSA-N 360.207 4.247 30 40 FIEB COc1ccccc1CN/N=C/c1ccc(-c2ccc(C)c([N+](=O)[O-])c2)o1 20761853 OIEXRBZGCAZTRZ-LPYMAVHISA-N 365.389 4.296 30 40 FIEB N#Cc1ccc(-c2ccc(OC[C@H](O)COc3ccc(F)cc3)cc2)cc1 24761041 LXVWJCPWYJHAMR-FQEVSTJZSA-N 363.388 4.183 30 40 FIEB CC(C)c1ccc(CN(C2CC2)S(=O)(=O)c2ccccc2C#N)cc1 12917101 YNCIIWXJECAALS-UHFFFAOYSA-N 354.475 4.035 30 40 FIEB Cc1ccc(C(=O)O)c2c1N[C@H](c1ccc(OCC#N)cc1)[C@@H]1CC=C[C@@H]21 409163868 YXLYFRWTGOJDFH-CBGDNZLLSA-N 360.413 4.422 30 40 FIEB N#Cc1ccc(F)c(CSc2nc3ccccc3c(=O)n2C2CC2)c1 14125007 UWSBKAMYMNDTCU-UHFFFAOYSA-N 351.406 4.034 30 40 FIEB CN(C)C(=O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N 82086925 NZELKCNAIUSIRW-UHFFFAOYSA-N 373.481 4.468 30 40 FIEB COc1ccccc1OCCN(C)CC#Cc1ccc(C(F)(F)F)cc1 72312061 IZKFBIBKFPYVRR-UHFFFAOYSA-N 363.379 4.076 30 40 FIEB CC[C@H](C)Oc1ccccc1/C=N/Nc1nc(C)cc(COC)c1C#N 408601164 IVKRJRRLSMXTRN-OOXYOOLHSA-N 352.438 4.031 30 40 FIEB CCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)c(C#N)c1 225754569 NCCCWHXXCARMDB-UHFFFAOYSA-N 364.445 4.416 30 40 FIEB C=CCSc1ccccc1C(=O)Nc1ccc2c(c1)sc(=O)n2C 225058162 CMIAVKYFFCKVAX-UHFFFAOYSA-N 356.472 4.130 30 40 FIEB Cc1ccc(S(=O)(=O)Nc2ccccc2/C(=N\O)c2ccccc2)cc1 5260176 PXGHAQRFWKNDOJ-MRCUWXFGSA-N 366.442 4.022 30 40 FIEB Cc1cccc(/N=C2/NC(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)S2)c1C 12032562 NEUOJQKCZQBMQY-YBEGLDIGSA-N 353.403 4.103 30 40 FIEB COc1ccc(/C=C2\S/C(=N\c3ccc(C)c(C)c3)NC2=O)cc1OC 12032532 QLPWKORSSPUHPV-WQRHYEAKSA-N 368.458 4.212 30 40 FIEB COc1ccc(/C=N/Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1 6781162 WOZONNPORIDUIH-RGVLZGJSSA-N 366.446 4.223 30 40 FIEB C#CCN(Cc1ccc(C)cc1)C(=O)c1ccc(-n2nc(C)cc2C)cc1 60100907 MNORVELBTHLLKG-UHFFFAOYSA-N 357.457 4.073 30 40 FIEB COc1cc(Cl)c(C(=O)/C=C/c2ccc3c(c2)OCCO3)cc1OC 14233502 JVSKKBWUXGYNMJ-HWKANZROSA-N 360.793 4.025 30 40 FIEB N#CCC(=O)Nc1ccc(C(=O)OCc2ccc(Cl)c(Cl)c2)cc1 6944738 GNQFDHIQKUHZFF-UHFFFAOYSA-N 363.200 4.203 30 40 FIEB COc1ccc(-c2nc(Nc3nc4ccccc4s3)ncc2C#N)cc1 4994083 CYBILQQFWYEKTR-UHFFFAOYSA-N 359.414 4.377 30 40 FIEB CCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O 5967433 QZXHDOCSDPLDLA-XACIZNRCSA-N 372.804 4.287 30 40 FIEB N#CCCSc1ccccc1NC(=O)c1cc(Cl)c2c(c1)OCCO2 95953500 NWVHVNGSNAYCIJ-UHFFFAOYSA-N 374.849 4.369 30 40 FIEB C=CCOc1ccc(C(=O)N[C@H](CC)c2ccc(OC)c(OC)c2)cc1 219643791 IPDALMQKOFKZIP-GOSISDBHSA-N 355.434 4.150 30 40 FIEB CC(=O)Oc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1C#N 225682349 DRTLQIZDUHKLTF-UHFFFAOYSA-N 366.392 4.073 30 40 FIEB CC(C)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccc(F)c1 5444128 KQWGJAZVHNSIEI-GOSISDBHSA-N 353.393 4.060 30 40 FIEB C=C(C)Cn1nc(C)c(CN2CCC[C@@](O)(c3ccc(F)cc3)CC2)c1C 12188842 SXFBCWDZHKNLBJ-QFIPXVFZSA-N 371.500 4.089 30 40 FIEB O=C(O)Cc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)c(O)c1Cl 4528967 BYKCPRQAEZFOFW-FPYGCLRLSA-N 351.185 4.222 30 40 FIEB O=[N+]([O-])c1ccc(N/N=C/c2c(Cl)cccc2Cl)c([N+](=O)[O-])c1 5567313 LQVFYOIYZJSXTQ-FRKPEAEDSA-N 355.137 4.256 30 40 FIEB CC1=NN(c2ccccc2)C(=O)[C@@H]1[C@H](c1cccc(Cl)c1)C(C#N)C#N 85901863 JWGRSBYMWCYBHG-RBUKOAKNSA-N 362.820 4.126 30 40 FIEB C[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc([N+](=O)[O-])s3)c2C#N)C1 4078835 ZPTIUEYORLMQKG-YVGDHZEHSA-N 373.459 4.366 30 40 FIEB COc1cc(/C=N/c2ccc(C)cc2)cc(I)c1O 1229204 YBPOQKLRIXILCV-RQZCQDPDSA-N 367.186 4.064 30 40 FIEB COc1ccc(/C=N/c2nc3ccccc3n2CCN2CCCCC2)cc1 1506431 HWAGDFPPWSZCFV-HAVVHWLPSA-N 362.477 4.281 30 40 FIEB CCNc1ccccc(C(=O)/C=C/c2ccccc2Br)c1=O 4667369 JUHJVPVFBNEWCG-VAWYXSNFSA-N 358.235 4.137 30 40 FIEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C[C@@H]5O[C@]5(C(C)=O)[C@@]4(C)CC[C@H]32)C1 4731212 YRLVTBXOGJMZNC-WNCKLLFJSA-N 372.505 4.217 30 40 FIEB biogenic N/C(=N\C(=O)Nc1ccc(Cl)c(Cl)c1)Nc1nc2ccccc2o1 4828859 QPUDDHJULUIPOB-UHFFFAOYSA-N 364.192 4.093 30 40 FIEB O=C(Oc1ccc2c(c1)O/C(=C\c1ccncc1)C2=O)c1ccc(F)cc1 5180376 CQARQCIWASCMAM-ODLFYWEKSA-N 361.328 4.056 30 40 FIEB NC(=S)N/N=C\c1c(OCc2ccccc2Cl)ccc2ccccc12 5379733 FDESLNIKQJPPOE-JJFYIABZSA-N 369.877 4.239 30 40 FIEB COc1ccc(OC)c(C(=O)/C=C/c2cc(Cl)c(OC)c(OC)c2)c1 6341463 MZMMXLPDWZSPMD-FNORWQNLSA-N 362.809 4.271 30 40 FIEB O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccccc1)c1ccccc1 6813949 WKRAEXNKIUNLTR-IBGZPJMESA-N 359.381 4.058 30 40 FIEB CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@@H]2c1cccc(O)c1)OCO3 18197453 HTAAFWRLKUPWHC-FQEVSTJZSA-N 363.413 4.322 30 40 FIEB N#Cc1ccc(CN2CCC3(CC2)C[C@@H]3c2nnc(-c3ccccc3)o2)cc1 71889700 KRDUGMPCLRUPMY-HXUWFJFHSA-N 370.456 4.378 30 40 FIEB C/C(C(=O)c1ccc(C)cc1)=[N+](/[O-])[C@@H](/C(=N/O)c1ccccc1)C(C)C 103179088 CEKVOXZARPUXSF-RZEHKRKFSA-N 352.434 4.052 30 40 FIEB C=CCOc1ccc(C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1 225167844 LTEQBIUVQCXVSY-UHFFFAOYSA-N 368.458 4.461 30 40 FIEB Cc1csc([C@H](C#N)C(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)n1 252586506 QOMROJGLVVTNMR-YNEHKIRRSA-N 350.365 4.450 30 40 FIEB COc1ccc2c(c1)Cc1sc(/N=C\c3ccc(OC)c(OC)c3)nc1-2 409047679 PRTPRUSZRIIGAI-NHDPSOOVSA-N 366.442 4.491 30 40 FIEB O=[N+]([O-])c1cccnc1N/N=C/c1cn(Cc2ccccc2)c2ccccc12 409098934 RLAXTDVYWKAYBE-YDZHTSKRSA-N 371.400 4.439 30 40 FIEB C=CCn1c(SCc2c(F)cccc2Cl)nnc1-c1cnccn1 703944 IQOVMNTWJBBFIZ-UHFFFAOYSA-N 361.833 4.006 30 40 FIEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)S2)cc1C 12032560 TVRDGYUYGWCWSQ-YBEGLDIGSA-N 353.403 4.103 30 40 FIEB C=C(C)Cn1c([C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)nc2ccccc21 12062175 RNILJOKSXPZYAJ-KRWDZBQOSA-N 363.436 4.268 30 40 FIEB Cc1noc2c1[C@H](c1cccnc1)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2 13550798 XFEOBHIYWPQNBN-QRWLVFNGSA-N 373.412 4.042 30 40 FIEB Cn1ncc2c1CC/C(=C\c1c(OC(F)F)ccc3ccccc13)C2=O 75117681 MPQMLHHSADZUNF-JLHYYAGUSA-N 354.356 4.387 30 40 FIEB O=C(NCc1c(F)c(F)c(F)c(F)c1F)c1ccc(C(F)(F)F)cc1 100698813 MTLPIFZKTLNVTD-UHFFFAOYSA-N 369.211 4.331 30 40 FIEB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1 118928706 NHUDOBXYMZWEFY-DVWPCDKSSA-N 372.505 4.265 30 40 FIEB C#CCN1C(=O)S/C(=C\c2ccc3c(c2)C(C)=CC(C)(C)N3CC)C1=O 208511969 BBTODKMURLUVPK-PDGQHHTCSA-N 366.486 4.378 30 40 FIEB COc1cc(C)c(/C=C2\SC(=Nc3ccc(F)cc3)NC2=O)cc1OC 408548952 OCVNQLWJBFNWTP-YVLHZVERSA-N 372.421 4.043 30 40 FIEB COc1cccc(C(=O)Oc2ccc(/C=N/Nc3nc(C)cs3)cc2)c1 409057680 WAGSEJOKXLHHAC-RGVLZGJSSA-N 367.430 4.125 30 40 FIEB CC[C@H](C)c1ccc(O)c(/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)c1 3044500 OJTCACJXAPKWJW-NTOSSWPYSA-N 359.338 4.178 30 40 FIEB C=C(C)CNC(=S)N(C)[C@]1(c2ccccc2Cl)CCCCC1=O 3287996 CNRXOLKWOCTQHS-SFHVURJKSA-N 350.915 4.061 30 40 FIEB Cc1nc2n(n1)[C@@H](c1ccc(F)cc1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 4736699 KQSYALISIAASKX-KKSFZXQISA-N 374.419 4.141 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2cccc(OC)c2)C[C@H]1c1cccc(F)c1 4919169 QCGHJAJBYGGGBW-PZJWPPBQSA-N 368.404 4.154 30 40 FIEB C=CCn1c2nc3ccccc3nc2c2c(=O)n([C@H](C)CC)c(CC)nc21 5030652 XRNTXZNCCJZVOU-CYBMUJFWSA-N 361.449 4.014 30 40 FIEB N#CCCCSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1 12745552 BEDFDGDHDZKBIC-UHFFFAOYSA-N 355.850 4.435 30 40 FIEB CCOc1ccc(Cl)cc1/C=N\OCC(=O)Nc1ccc(Cl)cc1 33741246 IRBKCHJSTKAQCV-JMIUGGIZSA-N 367.232 4.381 30 40 FIEB O=C1N/C(=N/c2cccc3ccccc23)S/C1=C/c1ccc(C(=O)O)cc1 35647174 LBDLPKCQEWJQPV-LDADJPATSA-N 374.421 4.430 30 40 FIEB N#Cc1ccc(-c2csc(NC(=O)NCc3ccc(F)cc3)n2)cc1 38550348 RNIZDFPZXPTIGU-UHFFFAOYSA-N 352.394 4.143 30 40 FIEB CCCCCCCCNC(=S)N1CCN(c2ccc(OC)cc2)CC1 100339611 LVJCYMAFBMZHPK-UHFFFAOYSA-N 363.571 4.052 30 40 FIEB CCN(CC)c1ccc(C=Nn2c(S)nnc2C2CCCCC2)c(O)c1 252444377 NKOSLKVHYDGYKN-UHFFFAOYSA-N 373.526 4.049 30 40 FIEB C#CCN1C(=O)S/C(=C\c2cc(C)n(-c3ccccc3CC)c2C)C1=O 408965471 HPMPVCQIYQLFTF-UYRXBGFRSA-N 364.470 4.326 30 40 FIEB Oc1ccc(/C=N\c2ccc(Cl)cc2)cc1I 408965602 WGLJNQRXFNLHBH-PXNMLYILSA-N 357.578 4.401 30 40 FIEB COc1cc(N2CCCC2)c(OC)cc1/C=N/c1ccc(C(=O)O)cc1C 409101056 PDGKMPKJHPHVCD-LPYMAVHISA-N 368.433 4.061 30 40 FIEB C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OC(C)C)c(OC)c2)C1=O 409101984 ZTDDRCJOHJGZOZ-NTEUORMPSA-N 367.854 4.358 30 40 FIEB COCCN1C(=O)/C(=C/c2ccc(C)cc2)S/C1=N\c1ccccc1 2783067 OHDMVKHXWCUVNO-PTPABZONSA-N 352.459 4.245 30 40 FIEB Oc1ccc(Br)cc1/C=N/Nc1ncc(-c2ccccc2)cn1 4713096 NJQDSAXXNJUAOZ-SRZZPIQSSA-N 369.222 4.058 30 40 FIEB CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(=O)C[C@@H]2c1cccnc1 1076695 PAWDUGUVZTXUJY-QGZVFWFLSA-N 364.420 4.384 30 40 FIEB CCOC(=O)c1ccc(/N=C2/C(=O)Nc3c(Cl)cc(Cl)cc32)s1 12602885 UHBGSHDCGVDCBR-UHFFFAOYSA-N 369.229 4.305 30 40 FIEB CCCCCOc1ccccc1CN1C(=O)/C(=N\O)c2cccc(C)c21 101101711 PQCXGMBFXSLPPO-QOCHGBHMSA-N 352.434 4.289 30 40 FIEB CCOc1ccc([C@H](C)NC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1 11173267 VLMNLOBZSUTTCC-AWEZNQCLSA-N 363.417 4.140 30 40 FIEB C=CCn1c(SCc2ccccc2)nc2sc3c(c2c1=O)CCC3 4186177 AKAHWGYEFRYLQX-UHFFFAOYSA-N 354.500 4.425 30 40 FIEB Fc1ccc(/N=C(/S)Nc2ccccc2N2CCOCC2)cc1Cl 13684426 XHEHLRSRFVJOIA-UHFFFAOYSA-N 365.861 4.345 30 40 FIEB Cc1ccc(/N=C2\S/C(=C/c3cccc([N+](=O)[O-])c3)C(=O)N2C)cc1 408906753 DMDCRKBPZLRSGQ-BDYZYUDZSA-N 353.403 4.137 30 40 FIEB CCCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])o2)S/C1=N\c1ccccc1 408906649 JNTBZMXFSZDFEE-ORFSPIAFSA-N 357.391 4.202 30 40 FIEB C=CC(C)(C)c1[nH]c2cccc3c2c1C[C@@H]1[C@@H]3[C@@H](OC(C)=O)[C@H](C)CN1C 34136803 OSICWVVWEXKSBD-NDKINLCJSA-N 366.505 4.153 30 40 FIEB biogenic,in-vitro C#CCOc1ccc(Br)cc1CNc1ccc(OCC)cc1 315742373 OAVVPTBHAQRVPI-UHFFFAOYSA-N 360.251 4.472 30 40 FIEB Cc1ccc(C(=O)O/N=C2\C(=O)N(c3ccccc3)c3ccccc32)cc1 1403247 MTHGOVWESKRBIB-ATJXCDBQSA-N 356.381 4.234 30 40 FIEB CC/N=C1\S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1CC 5552151 LMEMBNMJLSEWGT-BDYZYUDZSA-N 371.418 4.167 30 40 FIEB Fc1ccc(N/N=C/c2ccccc2I)c(F)c1 4925397 LSGMUCTZGLCSFE-CAOOACKPSA-N 358.129 4.015 30 40 FIEB CC(=O)Nc1s/c(=N\N=C\C=C\c2ccccc2)[nH]c1-c1cccs1 13549699 SOZHIFWTFLRUFA-QJEBJFPOSA-N 368.487 4.363 30 40 FIEB C[C@@H](OC(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)cc1Cl 2617327 QQHUDYLZNQFGLZ-SNVBAGLBSA-N 363.200 4.049 30 40 FIEB Cc1ccc(-n2ccnc2SCC(=O)Nc2ccc(C#N)cc2)c(C)c1 32957397 TYRCSGBDZCAAJA-UHFFFAOYSA-N 362.458 4.092 30 40 FIEB O=C1C=C(OCC=C(C(F)(F)F)C(F)(F)F)C(=O)c2ccccc21 1720969 VRKIFINDAOPAFB-UHFFFAOYSA-N 350.214 4.017 30 40 FIEB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CCC#N 4742414 PURUBGVOEPFNQR-JZTHCNPZSA-N 369.505 4.122 30 40 FIEB CC(C)(C)NC(=O)CO/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 3169265 AKQOYEGORHLSAG-WSDLNYQXSA-N 362.514 4.252 30 40 FIEB Cc1cc(/C=N/c2ccc3c(c2)OCO3)c(C)n1-c1ccc2c(c1)OCO2 408915038 TYQZCROWVMYWIE-LSHDLFTRSA-N 362.385 4.302 30 40 FIEB C=CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1cc2cc(F)ccc2[nH]1 5346047 AURMBBGDFUOYKN-UHFFFAOYSA-N 368.408 4.153 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2cccc(OC)c2)C[C@@H]1c1ccccc1 4919053 RBVOOERNTLYBRI-TZIWHRDSSA-N 350.414 4.015 30 40 FIEB N#CC1(c2ccccc2)CCC2(CC1)Nc1ccccc1C(=O)N2C1CC1 9339116 CTGWUNYLACJMDK-UHFFFAOYSA-N 357.457 4.449 30 40 FIEB Cc1cc(N2CCCC2)c(C)cc1/C=N/OCc1cccc([N+](=O)[O-])c1 408595037 VKDQHRSSYNOXDY-FYJGNVAPSA-N 353.422 4.363 30 40 FIEB COc1ccc(C(=O)/C=C/c2ccc(N(C)C)c(Br)c2)cc1 408663354 RUVQJHDUXLBGFA-VZUCSPMQSA-N 360.251 4.420 30 40 FIEB COc1ccc(OC)c(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)c1 38185119 WFOOYCVYIJHEAV-KDWIEBRMSA-N 368.458 4.246 30 40 FIEB C#CCOc1c(Br)cc(CNc2ccccc2)cc1OCC 409117446 NNVZKTWMBHUASV-UHFFFAOYSA-N 360.251 4.472 30 40 FIEB Cc1ccc(Cc2nc(SCc3ccccc3F)nc(N)c2C#N)cc1 223672894 RAEXPEXDSQUCLI-UHFFFAOYSA-N 364.449 4.261 30 40 FIEB CCOc1cc(/C=C2\S/C(=N\c3cc(C)ccc3C)NC2=O)ccc1O 5551269 KPYWUMFLFJUCMD-WQRHYEAKSA-N 368.458 4.299 30 40 FIEB CCOc1cc(C=O)cc(Br)c1OCc1cccc(C#N)c1 15423254 HJQBUXIIOGEGOG-UHFFFAOYSA-N 360.207 4.111 30 40 FIEB Cc1ccccc1/N=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])o2)cc1 1421714 YQUWSOIYEVRNDV-UDWIEESQSA-N 350.330 4.466 30 40 FIEB C=CCOc1ccc(/C=C2\N=C(c3ccccc3)OC2=O)cc1OCC=C 2081201 XZOYTVAHJXLBCS-JXAWBTAJSA-N 361.397 4.161 30 40 FIEB CCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)S/C1=N/c1ccccc1 4680326 MNDZEMCGHSNRLN-QSAFIDALSA-N 352.415 4.039 30 40 FIEB COc1ccc2c(c1)O/C(=C\c1cc(Br)ccc1OC)C2=O 5193668 SHEZRRMZIIGDAJ-PXNMLYILSA-N 361.191 4.083 30 40 FIEB biogenic O=C1C(=Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C(=O)c2ccccc21 5689575 KRLXBENOWRHNOT-UHFFFAOYSA-N 362.385 4.048 30 40 FIEB CC(C)OC(=O)C[C@@H](NC(=O)c1ccc(C#N)cc1)c1ccccc1Cl 10815414 APXOTRHOKKHFGJ-GOSISDBHSA-N 370.836 4.024 30 40 FIEB C=C(C)CN(CC)Cn1nc(-c2ccc(F)c(F)c2)c2ccccc2c1=O 48365754 TWOGWDZCNACRHN-UHFFFAOYSA-N 369.415 4.197 30 40 FIEB COc1ccccc1NC(=O)CSc1nc2c(C)cccc2cc1C#N 872634 OSNQHDIVDRCIFT-UHFFFAOYSA-N 363.442 4.154 30 40 FIEB N#Cc1ccc(NC(=O)COC(=O)c2ccccc2Nc2ccccc2)cc1 3348728 DLVINAWFMQVLSP-UHFFFAOYSA-N 371.396 4.097 30 40 FIEB CCOc1ccccc1-c1nc(CC(=O)Nc2cccc(C#N)c2)cs1 11459715 LECYZJDIQQFOAF-UHFFFAOYSA-N 363.442 4.262 30 40 FIEB N#CCCn1cc(/C=C/C(=O)c2ccc(C#N)cc2)c(-c2ccccc2)n1 40161445 OXRCWYZVGPFTQJ-VAWYXSNFSA-N 352.397 4.232 30 40 FIEB Cc1n[nH]c(=S)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 82372307 DKDKMHYJWLHPJJ-VXLYETTFSA-N 358.854 4.364 30 40 FIEB CN(C)[C@@H](CNc1oc(-c2cccc(F)c2)nc1C#N)c1cccs1 96346095 DSSPGNXYADPSLC-HNNXBMFYSA-N 356.426 4.129 30 40 FIEB CC1=NN(c2ccccc2)C(=O)[C@@H]1[C@H](c1ccc(Cl)cc1)C(C#N)C#N 101512489 WJSYTJVVSMPQNC-RBUKOAKNSA-N 362.820 4.126 30 40 FIEB COc1ccc(/N=C\c2cccn2-c2ccc(Br)cc2)cn1 101768369 QTSSDMAHBSXBSY-UNOMPAQXSA-N 356.223 4.394 30 40 FIEB CC1=C[C@H](C)[C@@H](/C=N/n2cnc3c([nH]c4ccc(F)cc43)c2=O)[C@H](C)C1 105337801 PNOVVDRHHMKFHS-DGPWGIHBSA-N 352.413 4.089 30 40 FIEB C=CCOc1cccc(NC(=O)CN2C(=O)c3cccc4cccc2c34)c1 408613346 WLVHGRRQHKFORL-UHFFFAOYSA-N 358.397 4.004 30 40 FIEB COc1ccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1C 409402053 CVEDVROOYMFVHL-UHFFFAOYSA-N 369.424 4.263 30 40 FIEB Cc1cc(C2CCN(C(=O)CC3(C#N)CC3)CC2)ccc1Br 590333741 DMGHOLFJWDSKID-UHFFFAOYSA-N 361.283 4.157 30 40 FIEB N#Cc1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)sc2c1CCCCCC2 2747586 QSFQDICYVNWTAA-KGLIPLIRSA-N 360.479 4.108 30 40 FIEB CC1=C(NC(=O)C2(c3ccccc3)CCCC2)C(=O)[C@@H](c2ccccc2)N1C 102233355 ZJSMTWHZOXSARN-OAQYLSRUSA-N 374.484 4.102 30 40 FIEB CC(C)CC(=O)O/N=C1\C(=O)N(Cc2cccc(Cl)c2)c2ccccc21 1401172 GIHROLWNJVLGDF-QOCHGBHMSA-N 370.836 4.180 30 40 FIEB C=CCOc1ccc(NC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1 39750621 VJMSVWHFSNXOCS-UHFFFAOYSA-N 364.489 4.411 30 40 FIEB N#C[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 218623534 YCPCKJAXKFKTQH-OAGGEKHMSA-N 352.242 4.073 30 40 FIEB C=CCSc1nnc(NC(=O)COc2cc(C)c(Cl)c(C)c2)s1 39989292 TWAIJPAJLMFNEB-UHFFFAOYSA-N 369.899 4.104 30 40 FIEB N#C[C@H](c1ccc2ccccc2n1)c1cnn(-c2ccccc2)c(=O)c1Cl 5395172 UZPYTDYGLHUBDT-INIZCTEOSA-N 372.815 4.090 30 40 FIEB N#Cc1nc(Cc2cccc3ccccc23)oc1NCCN1CCCCC1 2399862 IYOQADZXPHKQSI-UHFFFAOYSA-N 360.461 4.188 30 40 FIEB COc1ccc(/N=C/c2ccccc2OCC(=O)Nc2ccccc2)cc1 8116651 KEJBBPJCHJYBPM-HZHRSRAPSA-N 360.413 4.463 30 40 FIEB CCn1cc(/C=C2/Oc3cc(OCC(C)=O)ccc3C2=O)c2ccccc21 8993383 MFMIDNCRPGOBSC-UFFVCSGVSA-N 361.397 4.245 30 40 FIEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccn1 19536417 HOLYIDAAZZBEMD-FQEVSTJZSA-N 368.477 4.029 30 40 FIEB CNC1=C(C(=O)c2ccccc2)C(=O)C[C@@H](c2ccc(Cl)cc2)S1 26896851 SJDFVVABCQOHHF-INIZCTEOSA-N 357.862 4.401 30 40 FIEB N#Cc1ccc(C(=O)Nc2nc3ccccc3n2Cc2ccccc2)cc1 27923042 FHXISSHVKQZDSD-UHFFFAOYSA-N 352.397 4.209 30 40 FIEB Cc1cc(C)c2c(c1)/C(=N/O)C(=O)N2CCCOc1ccc2ccccc2c1 46084874 LKYMCXRPRZGCCY-FLFQWRMESA-N 374.440 4.451 30 40 FIEB Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2ccc3c(c2)OCO3)S1 59224234 JXYKIWNRIQQCRC-APSNUPSMSA-N 372.833 4.269 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccsc2)C[C@@H]1c1ccc(OCC)cc1 69374871 XNWYKNFLUCKENO-UYAOXDASSA-N 370.470 4.466 30 40 FIEB CCOC(=O)C1=C(Nc2ccccc2)O/C(=C/c2cccc(Cl)c2)C1=O 97998955 PHYRPGBIPWLNNX-FOWTUZBSSA-N 369.804 4.167 30 40 FIEB C=CCOc1ccc(C(=O)Nc2ccc(C(=O)OCC)c(Cl)c2)cc1 219641640 MIIARMVVUXHYJS-UHFFFAOYSA-N 359.809 4.334 30 40 FIEB COc1cc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)ccc1O 408908809 SDRHZJDGGULRID-KDWIEBRMSA-N 368.458 4.413 30 40 FIEB CC(=O)Nc1cc(/N=C/c2cc([N+](=O)[O-])ccc2O)c(Cl)cc1Cl 1227828 NNNPSKILMFENTC-CNHKJKLMSA-N 368.176 4.316 30 40 FIEB FC(F)(F)C1=NC(C(F)(F)F)(C(F)(F)F)N=C(c2ccccc2)O1 2286669 AMNMECIEYVKZMZ-UHFFFAOYSA-N 364.167 4.245 30 40 FIEB O=C1N/C(=N\N=C\c2ccccc2Cl)S/C1=C/c1ccccc1F 4402284 CGDQWUNBQLACGC-SABIUBGXSA-N 359.813 4.073 30 40 FIEB Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1cccnc1 4740776 JMBZWUIMVKEMSH-BUVRLJJBSA-N 360.461 4.076 30 40 FIEB CC1CCN(CN2C(=O)/C(=N/c3cccc(Cl)c3)c3ccccc32)CC1 5427611 FRAWPHVBYAUTLD-BSYVCWPDSA-N 367.880 4.497 30 40 FIEB CC(=O)Nc1ccc(/C=N/Nc2nc(C(F)(F)F)nc3ccccc23)cc1 7813885 IQYCHRCAIVSVRV-LSHDLFTRSA-N 373.338 4.053 30 40 FIEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H](C)c1cc2ccccc2o1 12897947 ICOMNOHISMNLTR-ZDUSSCGKSA-N 359.385 4.488 30 40 FIEB Cc1noc2c1[C@@H](c1cccnc1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 13570259 VLQXBHYDFCEKEJ-OXJNMPFZSA-N 357.413 4.336 30 40 FIEB CCOc1cc2ccccc2cc1C(=O)O/N=C(\N)c1ccc(Cl)cc1 14074965 HUEUAOIKBOMCKX-UHFFFAOYSA-N 368.820 4.369 30 40 FIEB CCCC(=O)Nc1ccc(-c2cs/c(=N\N=C\c3cccs3)[nH]2)cc1 58109270 AUHPBBQSLGWENM-YBFXNURJSA-N 370.503 4.478 30 40 FIEB CCOC(=O)c1cccc(N/C(=C/C(=O)c2ccc(OC)cc2)CC)c1 59489057 VMHYCGFQLLHUSO-SAPNQHFASA-N 353.418 4.461 30 40 FIEB CC(=O)Oc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)c(C#N)c1 225680686 WJJPSMMRLARIOL-UHFFFAOYSA-N 362.429 4.243 30 40 FIEB COC(=O)c1cccc(-c2ccc(/C=N/Nc3nc4ccccc4[nH]3)o2)c1 408727740 XHYCELKBYNVTFE-CIAFOILYSA-N 360.373 4.056 30 40 FIEB Cc1ccc(-n2c(C)cc(/C=N/N3C(=O)c4ccccc4C3=O)c2C)cc1C 408740981 NINURUDFEVIPAK-ZMOGYAJESA-N 371.440 4.341 30 40 FIEB CCc1nc(S[C@H](C(=O)O)c2ccccc2)c(C#N)c2c1CCCC2 12249730 XXHFXBXEQXQGOI-SFHVURJKSA-N 352.459 4.312 30 40 FIEB N#Cc1ccc(NC(=O)CN2CCc3sccc3[C@@H]2c2ccccc2)cc1 12927040 LKTNODCHEGRJRX-QFIPXVFZSA-N 373.481 4.206 30 40 FIEB C[C@@H]1CC[C@H]2C(=O)N(c3ccc(Oc4ccc(C#N)cc4)cc3)C(=O)[C@@H]2C1 17986717 KJWSKORJFCFRHG-JSNMRZPZSA-N 360.413 4.276 30 40 FIEB O=C1NC(=NC(=O)c2ccc(Cl)cc2)S/C1=C\C=C\c1ccccc1 409148254 PEWJPTJCHVLTEX-QSJINSDNSA-N 368.845 4.297 30 40 FIEB CC(C)c1nc(SCc2ccc(Br)cc2)nc(N)c1C#N 225892534 JDKMDQWYVWUHGQ-UHFFFAOYSA-N 363.284 4.109 30 40 FIEB C#CCOc1ccc([C@@H]2CC(=O)Nc3ccc4ccccc4c32)cc1OC 16196131 NRQXWTMDMAFVHN-SFHVURJKSA-N 357.409 4.335 30 40 FIEB CCOc1nc2c(c(-c3ccccc3)c1C#N)c1ncnc(Cl)c1n2C 17155184 DOSBHZIEEXAJGK-UHFFFAOYSA-N 363.808 4.107 30 40 FIEB C[C@H]1CC(=O)C2=C(O1)c1c(ccc3ncccc13)N[C@@H]2c1cccc(O)c1 1440470 YNCJBJIKDVIMJE-LAJNKCICSA-N 358.397 4.196 30 40 FIEB C=CCOC(C(=O)OCCN(CC)CC)(c1ccccc1)c1ccccc1 1608964 KLIQZWSDUMIHHY-UHFFFAOYSA-N 367.489 4.018 30 40 FIEB CC(=O)N(C)C1=C(Sc2ccc(Cl)cc2)C(=O)c2ccccc2C1=O 1722547 UNILLQJPWJSEMA-UHFFFAOYSA-N 371.845 4.201 30 40 FIEB Cc1ccc([N+](=O)[O-])cc1/N=C/c1ccc(Br)c([N+](=O)[O-])c1 3150436 RLINCTDRMOUPTP-LZYBPNLTSA-N 364.155 4.325 30 40 FIEB C/C(=N\Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 7674822 OOBOQYJVOVXPIS-LSFURLLWSA-N 363.299 4.326 30 40 FIEB COc1cc(C(=O)Nc2ccc(C#N)c(Cl)c2)ccc1OC(F)F 15567443 VCZQESHKDPCPEK-UHFFFAOYSA-N 352.724 4.074 30 40 FIEB COc1ccc(OC)c(/C=C2\S/C(=N\c3ccc(C)cc3C)NC2=O)c1 16661532 OQXUPAWRUKVNQL-WQRHYEAKSA-N 368.458 4.212 30 40 FIEB COc1cccc(/C=C2\Oc3c(ccc(O)c3CN3CCCCC3)C2=O)c1 22625646 LYGPTKJACHUGLY-MOSHPQCFSA-N 365.429 4.003 30 40 FIEB biogenic N#C[C@@H](C(=O)Cc1ccc(OC(F)(F)F)cc1)c1nc2ccccc2o1 54735534 MXKAJUYCSLFJSM-ZDUSSCGKSA-N 360.291 4.145 30 40 FIEB CCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3onc(C)c32)cc1O 72332398 RCPMOXGTXWGMOY-SFHVURJKSA-N 368.433 4.288 30 40 FIEB N#Cc1cccc(-c2c[nH]c(CNc3ncnc4sc5c(c34)CCC5)n2)c1 95456957 XAMHKLQXGNZITF-UHFFFAOYSA-N 372.457 4.054 30 40 FIEB Cc1ccc(C)c(COc2nn(Cc3ccccc3Cl)c(N)c2C#N)c1 225839772 NIKPIKXBVWIWCP-UHFFFAOYSA-N 366.852 4.235 30 40 FIEB Cc1cc(/C=N/OCc2ccccc2C#N)c(C)n1-c1cccc([N+](=O)[O-])c1 408595575 XKQVYFKVLXYNKL-YDZHTSKRSA-N 374.400 4.425 30 40 FIEB C#CCOc1ccc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc1 408756559 ZWHDNRWTQKSAIH-RGEXLXHISA-N 362.454 4.153 30 40 FIEB Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1/N=C/c1ccccc1[N+](=O)[O-] 408978368 YZJVCVNNKSPHGK-YBFXNURJSA-N 365.349 4.056 30 40 FIEB C=CCOc1ccc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)cc1OCC 409010057 DDESMLKAFACQER-LVLBFHFTSA-N 361.463 4.485 30 40 FIEB O=[N+]([O-])c1cc(Br)c(O)c(/C=N/c2ccc(F)cc2F)c1 409068825 IWOFRAWLXYMCNE-UBKPWBPPSA-N 357.110 4.092 30 40 FIEB N#Cc1cccc(CN2CCC(N[C@@H]3CCCNc4ccccc43)CC2)c1 593695337 LBHNCJJROOUVNX-HSZRJFAPSA-N 360.505 4.059 30 40 FIEB C#C[C@]1(OC(C)=O)CC[C@H]2[C@H]3CCc4cc(OC)ccc4[C@@H]3CC[C@@]21C 4026279 VUOXWYSHLSLTID-VUBDRERZSA-N 352.474 4.486 30 40 FIEB CCc1ccccc1-n1c(C)cc(/C=C2\S/C(=N\C)N(C)C2=O)c1C 4687829 UEOFKNSJANTRRQ-RTPYTOBHSA-N 353.491 4.188 30 40 FIEB C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 8316114 MNMFYMWJSRPCFN-AWEZNQCLSA-N 364.401 4.006 30 40 FIEB CC(C)/C(=N\Nc1cnn(-c2ccccc2)c(=O)c1Cl)c1ccccc1 17352103 CSCFBXAWMBBVJT-LYBHJNIJSA-N 366.852 4.358 30 40 FIEB C[C@@H]1C[C@@H](C)CN(C/C(O)=N/c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 23804728 OPQVSNMRRDLLPZ-CHWSQXEVSA-N 374.466 4.284 30 40 FIEB CCCC[C@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccccc1OC 35147545 MZTQFNCSNRDZOG-HNAYVOBHSA-N 359.466 4.196 30 40 FIEB C=C(Br)CNC(=O)COc1cc(C)c(Cl)cc1C(C)C 49281215 ALBOSDJKJMGXAK-UHFFFAOYSA-N 360.679 4.175 30 40 FIEB CCOC(=O)c1c(C)[nH]c(-c2ccccc2)c1C/C(=N/N)c1ccccc1 67340069 LIHKSIXLEXBBAK-PLRJNAJWSA-N 361.445 4.072 30 40 FIEB CCc1ccc(/N=C2/S/C(=C/c3ccc4c(c3)OCO4)C(=O)N2C)cc1 100298510 ASICOCAUNYMKFH-DRJFBDSASA-N 366.442 4.212 30 40 FIEB CCOc1cc(/C=N/O)cc(Br)c1OCc1ccccc1 100986275 PENIMCWBIPZEOL-VCHYOVAHSA-N 350.212 4.235 30 40 FIEB COc1cc(/C=C2\SC(=N)[C@@H](c3nccs3)C2=O)ccc1OC(C)C 108223458 FGWQTABDFFVFKB-UTYDTHAWSA-N 374.487 4.357 30 40 FIEB Cc1ccc(/N=C/c2ccc(CNS(=O)(=O)c3ccccc3)o2)cc1C 408784315 AYPYWOHUOTUDIV-FYJGNVAPSA-N 368.458 4.126 30 40 FIEB C#CCOc1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1 409124433 HQHUZGNSLKCIQW-QGOAFFKASA-N 355.459 4.315 30 40 FIEB COc1ccc(/C=C(/C(=O)c2cccc(OC)c2)C(=O)C(F)(F)F)cc1 409364520 YIMMIUOVWJDFCF-YBEGLDIGSA-N 364.319 4.102 30 40 FIEB Cc1ccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1C 1959816 DVTHSCSZORZWJW-LBPRGKRZSA-N 354.475 4.379 30 40 FIEB CCOc1cc([N+](=O)[O-])cc(/C=N/c2cccc(C(F)(F)F)c2)c1O 3033972 AZAWJDWEFIKDBA-AWQFTUOYSA-N 354.284 4.469 30 40 FIEB Cc1cccc(Nc2nnc(SCC(=O)c3ccc(C#N)cc3)s2)c1 3276994 BNGRMVMIDDXHBT-UHFFFAOYSA-N 366.471 4.437 30 40 FIEB N#Cc1ccccc1COC(=O)c1ccccc1SC[C@@H]1CCCO1 7628066 NFZIMXHLDPJWEH-KRWDZBQOSA-N 353.443 4.186 30 40 FIEB C=CCNC(=O)C1(Cc2ccccc2-c2ccc(F)c(F)c2)CCOCC1 12219379 RQEJBCCLZRCRHF-UHFFFAOYSA-N 371.427 4.273 30 40 FIEB CCOC(=O)c1c(-c2ccc(Br)cc2)c(C#N)c(CC)n1C 12649815 JNGAPOXDIKOBTD-UHFFFAOYSA-N 361.239 4.065 30 40 FIEB N#C[C@]1(c2ccccc2)O[C@H](c2ccccc2)[C@@H]2CCC[C@@]21N1CCOCC1 20528723 BHMNGRKKDHUTQG-OLKYXYMISA-N 374.484 4.048 30 40 FIEB CCc1c(C(=O)Nc2cccc(C#N)c2)cnn1-c1cccc(Cl)c1 24547901 WJUZKVUHWXIHER-UHFFFAOYSA-N 350.809 4.212 30 40 FIEB N#Cc1cccc(C(=O)Nc2ccn(Cc3c(Cl)cccc3Cl)n2)c1 27916440 ZGUMUCKFPDTAQO-UHFFFAOYSA-N 371.227 4.362 30 40 FIEB C/C(=N\c1cccnc1)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 100370422 RJUOQXJGNOCZGL-BUVRLJJBSA-N 355.397 4.232 30 40 FIEB C=CCOc1cccc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c1 408564469 DDCGKHKZADJYTE-UHFFFAOYSA-N 358.419 4.032 30 40 FIEB Cc1cc(C)cc(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c1 947394 VNXTWZACNNSGMF-LBPRGKRZSA-N 354.475 4.379 30 40 FIEB C=CCn1c(SCc2ccc(C#N)cc2)nnc1-c1ccccc1OC 3323482 CXFPWEUWFZSPFP-UHFFFAOYSA-N 362.458 4.304 30 40 FIEB N#Cc1ccccc1OCC(=O)Nc1nc(-c2ccccc2Cl)cs1 6944652 AFXPBTKHQFVQGP-UHFFFAOYSA-N 369.833 4.353 30 40 FIEB N#Cc1cccc(CSc2nc3ccccc3c(=O)n2Cc2ccco2)c1 9010799 UTTMGYLQIQLNRH-UHFFFAOYSA-N 373.437 4.202 30 40 FIEB N#Cc1cccc(S(=O)(=O)Nc2cccc(Oc3ccccc3)c2)c1 12561036 FFCCKQUWVLBQKA-UHFFFAOYSA-N 350.399 4.151 30 40 FIEB CC[N+](C)(CC)CCC/C(=N/O)C(O)(c1ccccc1)c1ccccc1 12660295 JDCWTWUPZWPUDT-LNVKXUELSA-O 355.502 4.019 30 40 FIEB CCOc1c(Cl)cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1OC 12815682 GBOOMMIOAPAKAB-GQCTYLIASA-N 360.793 4.372 30 40 FIEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccncc1 19228572 OTQHJFMREQMCOG-IBGZPJMESA-N 368.477 4.029 30 40 FIEB CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(C(C)C)cc1 19902522 GHIUADWQTZTWIE-HXUWFJFHSA-N 353.462 4.341 30 40 FIEB Cc1c(NCc2ccc(-n3ccnc3C)c(F)c2)cc(C#N)cc1[N+](=O)[O-] 58365614 UIKBZBHGGZUSTC-UHFFFAOYSA-N 365.368 4.020 30 40 FIEB C=CCSc1nnc(NC(=O)[C@@H](CC)Oc2ccccc2Cl)s1 223193124 UEUPGPCFAPPBTC-LLVKDONJSA-N 369.899 4.266 30 40 FIEB Cc1sc(NC(=S)NC(=O)c2ccc(OC(C)C)cc2)c(C#N)c1C 408624809 BYZRPWJYDQWFAW-UHFFFAOYSA-N 373.503 4.151 30 40 FIEB COc1cc(/C=C2/C(=O)ON=C2C)ccc1OCc1cccc(Cl)c1 408946179 YJRADSNHCIPJHG-CXUHLZMHSA-N 357.793 4.244 30 40 FIEB O=C1NC(=Nc2ccccc2)S/C1=C\c1cccn1-c1ccc(O)cc1 409022667 ORAMAGRUJLCFAB-AQTBWJFISA-N 361.426 4.075 30 40 FIEB Cc1cccc2cc(C#N)c(SCC(=O)N[C@H]3CCCC[C@@H]3C)nc12 933886 OHSHYNXSKYPLEI-GUYCJALGSA-N 353.491 4.202 30 40 FIEB COc1ccc(Br)cc1/C=C/C(=O)c1cccc([N+](=O)[O-])c1 5720633 NUTBNMMKJGUFIE-FNORWQNLSA-N 362.179 4.262 30 40 FIEB N#Cc1ccc(COC(=O)c2ccccc2NC(=O)c2ccccc2)cc1 5969090 DJOMFAXBKLQMTR-UHFFFAOYSA-N 356.381 4.168 30 40 FIEB C=CCOc1ccccc1/C=C1/SC(Nc2ccccc2OC)=NC1=O 35644752 GXGRCQJJSMTISS-QGOAFFKASA-N 366.442 4.342 30 40 FIEB CN(C(=O)c1cc(Br)ccc1F)c1cc(Cl)ccc1C#N 79052882 QRWXLHPJHGIZRM-UHFFFAOYSA-N 367.605 4.390 30 40 FIEB CC(C)CNC(=O)CSc1nc(-c2ccc(Cl)cc2)ccc1C#N 96306354 NSWFSSFHBPQYBP-UHFFFAOYSA-N 359.882 4.138 30 40 FIEB COc1cc(/C=C2/CSc3ccc(Cl)cc3C2=O)cc(OC)c1O 96930487 LHKIZUNGDPXQHL-WZUFQYTHSA-N 362.834 4.435 30 40 FIEB COc1ccc(Oc2c(N)cc(C#N)n2Cc2ccc(Cl)cc2)cc1 225884671 ISHUHMZOSGZXJY-UHFFFAOYSA-N 353.809 4.445 30 40 FIEB C#C[C@]1(O)CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]21C 253497457 LFSRETZWVUHKLB-OCHXAIKFSA-N 356.506 4.245 30 40 FIEB C=CCn1c(SCC(=O)c2ccc(F)cc2)nc2sc(C)cc2c1=O 784828 FMRIEJIGRZRSJF-UHFFFAOYSA-N 374.462 4.067 30 40 FIEB Cc1ccc(N/C=C/C(=O)c2sc(-c3ccc[n+](C)c3)nc2C)cc1 1394723 YWWQRBDFTSRFDP-UHFFFAOYSA-O 350.467 4.060 30 40 FIEB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1ccc(OCC#N)cc1 25530913 IABWWUCMIPJIIA-UHFFFAOYSA-N 371.462 4.196 30 40 FIEB Cc1ccc(C)c2c1/C(=N/O)C(=O)N2CCOc1ccc(C(C)(C)C)cc1 46085239 ZUOGFZQVOHUOCQ-NMWGTECJSA-N 366.461 4.205 30 40 FIEB C#CCN(C(=O)Nc1cc(C#N)cn1C(C)(C)C)[C@@H]1CCc2ccccc21 58279299 GAWUDWUMTQKKFY-LJQANCHMSA-N 360.461 4.269 30 40 FIEB Cc1ccccc1-n1ncc(C(=O)N[C@H](C#N)c2cccc(Cl)c2)c1C 68343762 UXXAFJBMPNOCIH-GOSISDBHSA-N 364.836 4.137 30 40 FIEB CCOc1ccc(/C=N/n2c(C)cs/c2=N/c2ccc(C)cc2)c(O)c1 103457614 VXGQUVGOAPHORW-YPDAGFIYSA-N 367.474 4.385 30 40 FIEB N#Cc1ccccc1CN1C(=O)S/C(=C/c2cccc(Cl)c2)C1=O 409162937 JRZWEFTWZVXBFQ-CXUHLZMHSA-N 354.818 4.448 30 40 FIEB COc1ccc(/C=N/Nc2ccnc3cc(Cl)ccc23)c(OC)c1OC 4561125 SPWNQHZOZZNWJV-SSDVNMTOSA-N 371.824 4.360 30 40 FIEB CCCn1c(S[C@@H](C)C(=O)Nc2ccc(C#N)cc2)nc2ccccc21 7718691 NEJQRBCZGKPGSS-AWEZNQCLSA-N 364.474 4.437 30 40 FIEB N#Cc1ccnc(-c2cccc(-c3ccn(C[C@H](O)c4ccccc4)n3)c2)c1 19838468 GEGZKLVLPDIAIS-QHCPKHFHSA-N 366.424 4.217 30 40 FIEB CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)NC3(C#N)CCCC3)c12 60642030 HOQKNUVKYKZKNM-UHFFFAOYSA-N 366.465 4.255 30 40 FIEB CN(CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21)C1CC1 91351794 WIOPBHBPZBWTAL-QFIPXVFZSA-N 350.437 4.346 30 40 FIEB Cc1nc(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)oc1C 95953393 LGSARCSRHWNGPG-LLVKDONJSA-N 361.492 4.417 30 40 FIEB C/C(=N/N=C(\C)[C@@H]1C[C@H](CC(=O)O)C1(C)C)[C@@H]1C[C@H](CC(=O)O)C1(C)C 104042727 XVYLZBKIPPCLTR-WFSTWLNLSA-N 364.486 4.097 30 40 FIEB C=CCOc1ccc(NC(=S)NCc2ccc(N3CCCC3)cc2)cc1 225425350 QZLJUDHFASGLMG-UHFFFAOYSA-N 367.518 4.338 30 40 FIEB O=[N+]([O-])c1cccnc1N/N=C/c1ccccc1OCc1ccccc1F 409099201 PQDVBYMAKUOXQB-WSDLNYQXSA-N 366.352 4.154 30 40 FIEB COc1ccc(C(=O)N=C2C=C(C(C)C)C(=O)C(C(C)C)=C2)cc1OC 3078083 LPBWVVOKENVLRP-UHFFFAOYSA-N 355.434 4.033 30 40 FIEB COc1cc(/C=N/Nc2nc(C)cs2)ccc1OCc1ccccc1 3958996 RNHRCYDDFPTTLR-RGVLZGJSSA-N 353.447 4.485 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2cccs2)C[C@H]1c1ccc(OCC)cc1 4119637 JVRJRDKBIZRHET-FXAWDEMLSA-N 370.470 4.466 30 40 FIEB C/C(=N\N=c1\scc(-c2ccc(Cl)cc2)n1C)c1cccc(N)c1 4475621 AHUSLFVZHXDYGN-OZJHUVQDSA-N 356.882 4.314 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(OC)c2)C[C@H]1c1ccccc1 4919045 RBVOOERNTLYBRI-FPOVZHCZSA-N 350.414 4.015 30 40 FIEB CCc1cccc2c(C(=O)C(=O)Nc3sc(C)c(C)c3C#N)c[nH]c12 9227461 GLAUWWGDPKASCR-UHFFFAOYSA-N 351.431 4.102 30 40 FIEB C=CCc1ccc(OCC(=O)Nc2nc3c(s2)CCCCC3)c(OC)c1 22312219 MJYMEXVYKUPOGL-UHFFFAOYSA-N 372.490 4.167 30 40 FIEB C#CCN1C(=O)S/C(=C\c2ccccc2OCc2ccc(F)cc2)C1=O 32109737 QJKDKZNAPLKTNE-PDGQHHTCSA-N 367.401 4.074 30 40 FIEB COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@@H](C)[C@H]2CCCC[C@H]21 40133838 YNGMSUOORXTWSJ-BHIYHBOVSA-N 370.493 4.153 30 40 FIEB N#CCCOC1(C#CCN2CCCC[C@@H]2c2cccnc2)CCCCC1 57547143 LVBPXZOJHUJMGA-OAQYLSRUSA-N 351.494 4.245 30 40 FIEB biogenic O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1c2ccccc2cc2ccccc12 103942088 YWUWYHYMICSPIA-APWDBTFUSA-N 366.420 4.134 30 40 FIEB O=C1C(=O)N(c2ccc(O)cc2)[C@H](c2ccccc2)/C1=C(\O)c1ccccc1 104138017 PUZNUNAVSUVFIY-YDJIHCHBSA-N 371.392 4.019 30 40 FIEB N=C1S/C(=C\c2cccc(Br)c2)C(=O)[C@H]1c1nccs1 135989706 HVYRTFFVHSWVSQ-AAZDMDIYSA-N 365.277 4.323 30 40 FIEB C#CCN1C(=O)S/C(=C\c2cc3c(cc2C)N(C)C(C)(C)C[C@@H]3C)C1=O 208228556 NIBMZOOTXYQCEG-DZBQEORWSA-N 368.502 4.387 30 40 FIEB C=CCOC(=O)c1cc(Br)c2[nH]c(-c3ccccc3)nc2c1 226344006 QCHPSDVQADAVOG-UHFFFAOYSA-N 357.207 4.335 30 40 FIEB CCc1cc[n+](CC(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1 3371389 BRMUCEHJUIZZAF-UHFFFAOYSA-O 361.421 4.083 30 40 FIEB OC1=Nc2c(Cl)cc(Cl)cc2/C1=N/NC(=S)NC1CCCCC1 6047042 OJRITUYGBLLMOT-UHFFFAOYSA-N 371.293 4.096 30 40 FIEB N#Cc1ccccc1-c1ccc(CN2CCN(c3ccccc3O)CC2)cc1 12537693 FYLOBNWSQJJFHN-UHFFFAOYSA-N 369.468 4.253 30 40 FIEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H](C)c1cccc(Cl)c1 12894657 OGOLMCGKOJAPQV-GFCCVEGCSA-N 353.809 4.395 30 40 FIEB CSc1nncn1/N=C/c1ccc(COc2cccc(Cl)c2C)o1 36611416 RURWCJDSEFLYBT-UFWORHAWSA-N 362.842 4.016 30 40 FIEB C/C(=N/O)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C 118917629 DAJBMKKLLJTPAS-IWWCLZHJSA-N 360.498 4.217 30 40 FIEB COc1ccccc1C(=O)Oc1ccc(/C=N/Nc2nc(C)cs2)cc1 409057460 QJCAFKYQGFSHRC-RGVLZGJSSA-N 367.430 4.125 30 40 FIEB Cc1ccc(-n2nc(C(=O)N[C@H](C)c3cccc(C#N)c3)c3c2CCC3)cc1 610362032 AMXPVKXWRUMJMA-MRXNPFEDSA-N 370.456 4.032 30 40 FIEB C=Cc1ccc(O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c(OC)c1 2261487 UWMGNCKYVWFEGD-LBPRGKRZSA-N 368.458 4.166 30 40 FIEB COc1cc(OC)cc(C(=O)Nc2sc3c(c2C#N)C[C@H](C)CC3)c1 4070072 DPVGCPUZLABNKI-LLVKDONJSA-N 356.447 4.014 30 40 FIEB CCc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(N4CCCC4)o3)S2)cc1 4704670 BTXCKRSRRFSSBN-GHRIWEEISA-N 367.474 4.334 30 40 FIEB C=CCn1c(C)cc(C(=O)COC(=O)c2cc(C)nc3ccccc23)c1C 4766327 DYKSNLWDJCAHIP-UHFFFAOYSA-N 362.429 4.187 30 40 FIEB O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccc3ncccc3c2)c1O 4834526 CAQMSBGGPNASJW-DJKKODMXSA-N 372.178 4.362 30 40 FIEB N#CCOc1ccc(/C=C/C(=O)N2CCC(Cc3ccccc3)CC2)cc1 10030854 QYBQFQUGGIQSNV-DHZHZOJOSA-N 360.457 4.083 30 40 FIEB Cc1[nH]c2ccccc2c1[C@@H](O)CN1CCC(C#N)(c2ccccc2)CC1 13998273 NBAIFTOLQMTALV-NRFANRHFSA-N 359.473 4.067 30 40 FIEB C/C(=N\OCc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2n1C(F)F 14377407 OQJWJFUTPFYQEF-SRZZPIQSSA-N 360.320 4.280 30 40 FIEB C=CCc1cc(C(=O)N2CCC[C@@H]2c2ccccc2)cc(OC)c1OC 32883786 JBKMGGGCEDRDEH-LJQANCHMSA-N 351.446 4.410 30 40 FIEB CCOc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)ccc1OC 59193580 UAEPTXVAHDDCAH-UHFFFAOYSA-N 368.429 4.222 30 40 FIEB CO/N=C/c1ccc(C(=O)Nc2c(C)c(C3CC3)nn2-c2ccccc2)cc1 95957447 NYIDMGOJOMYGED-OEAKJJBVSA-N 374.444 4.291 30 40 FIEB C=CCSc1nnc(NC(=O)[C@H](CC)Oc2ccc(C)cc2C)s1 223224327 GFVABJSAXAJCNT-ZDUSSCGKSA-N 363.508 4.229 30 40 FIEB C/N=C1/S/C(=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)C(=O)N1C 408930406 WQEUGOPWHQNASY-DRJFBDSASA-N 353.491 4.243 30 40 FIEB N#C[C@@H](NC(=O)c1ccccc1-n1cccc1)c1cccc(C(F)(F)F)c1 1536354075 BMUXBKBLIDBWCN-QGZVFWFLSA-N 369.346 4.491 30 40 FIEB CO/N=C1C(=C2\C(=O)Nc3cc(Cl)c(Cl)cc32)\Nc2ccccc2\1 1857524197 PROTUMHDKVZVBW-CLXIBKRSSA-N 360.200 4.133 30 40 FIEB Cc1ccc2cc(C#N)c(SCC(=O)N[C@H]3CCCC[C@@H]3C)nc2c1 906824 JGZDDSGTUCZYHA-YOEHRIQHSA-N 353.491 4.202 30 40 FIEB O=C(C[n+]1cccc2cc(Cl)ccc21)c1ccc(Br)cc1 1664819 ILVNKEYUYQUQBJ-UHFFFAOYSA-N 361.646 4.426 30 40 FIEB CC(C)(C)/C(CSc1cccc[n+]1[O-])=N/OC(=O)Nc1ccccc1 4277509 NQSYVMSMCWUXSZ-HMMYKYKNSA-N 359.451 4.063 30 40 FIEB C/C(=N\NC(=S)Nc1ccccc1F)c1ccc(Br)cc1 5788214 ZHFMLSMBBDPYMI-VXLYETTFSA-N 366.259 4.299 30 40 FIEB C/C(=N\NC(=S)NCCc1ccccc1)c1ccc(Cl)cc1Cl 5862139 WRQPNTFOWSEHKM-CIAFOILYSA-N 366.317 4.424 30 40 FIEB CN(C)Cc1c(O)ccc2c1O/C(=C\c1ccc(Cl)cc1Cl)C2=O 20646540 CSOVDQJMPXMQHJ-APSNUPSMSA-N 364.228 4.377 30 40 FIEB CCc1ccccc1/N=C/c1cc(Br)c(N2CCOCC2)o1 59247893 WVTCTGDOHQTFNA-XDHOZWIPSA-N 363.255 4.192 30 40 FIEB N#Cc1cccc(-c2c[nH]c(CNc3ccc([N+](=O)[O-])c4cnccc34)n2)c1 95456956 JCFMQMINIQGCSN-UHFFFAOYSA-N 370.372 4.017 30 40 FIEB N#CCCSc1ccccc1NC(=O)Cc1cnn(-c2ccccc2)c1 95953462 WJJIWMCOQNRETB-UHFFFAOYSA-N 362.458 4.059 30 40 FIEB O=C(OCCCF)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 169795688 JMLXYCFBJNWORV-UHFFFAOYSA-N 368.167 4.358 30 40 FIEB Cc1cc(/C=N/c2ccc(C(=O)O)cc2)c(C)n1-c1cccc(C(=O)O)c1 408913038 JVYVQDDOOZFLCZ-WSDLNYQXSA-N 362.385 4.241 30 40 FIEB CCOc1cc(-c2c(-c3ccccc3)c[nH]c(=N)c2C#N)ccc1OCC#N 408987027 UTBBYVOWRMQPEF-UHFFFAOYSA-N 370.412 4.001 30 40 FIEB Cc1cc(N2CCOCC2)ccc1/C=N/c1cccc(Br)c1 409099492 SZLSOCJIWGASGR-DEDYPNTBSA-N 359.267 4.345 30 40 FIEB Cc1cc([C@@H]2CCCN(c3c(C#N)cnc4ccc(Cl)cc34)C2)n[nH]1 518798393 CSQMUGKPDXNTHN-CYBMUJFWSA-N 351.841 4.175 30 40 FIEB Cc1ccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c(C)c1 947402 FIMHCQUZHJJDQU-ZDUSSCGKSA-N 354.475 4.379 30 40 FIEB C=CCn1c(=S)[nH]c2cc(C(=O)Nc3ccc(C)c(C)c3)ccc2c1=O 3631275 LGJCADYWBFGLFJ-UHFFFAOYSA-N 365.458 4.114 30 40 FIEB C/C(=N\Nc1ccccn1)c1ccc(OCCOc2ccc(C#N)cc2)cc1 5494723 YRPVHVZXCCSCDG-KOEQRZSOSA-N 372.428 4.247 30 40 FIEB C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(-n2cccn2)cc1 12912132 WLPKUURYDOFLQU-UHFFFAOYSA-N 357.866 4.416 30 40 FIEB C=CCN1C(=O)N/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)C1=O 14009908 AYFAVNKHAXNROJ-GXDHUFHOSA-N 362.307 4.044 30 40 FIEB COc1cc(/C=C/C(=O)c2cccc(C#N)c2)cc(OC)c1OC(F)F 40140018 BMELQGUCWKYKSL-VOTSOKGWSA-N 359.328 4.073 30 40 FIEB C=CCOc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1OCC 408531243 LJUNHSCKCYYQRA-UHFFFAOYSA-N 374.820 4.343 30 40 FIEB C#CCOc1ccc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc1Cl 408572106 QPXLNPRPVDAAJA-MRXNPFEDSA-N 354.793 4.242 30 40 FIEB CCN(CC)c1ccc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(OC)c1 408594595 UEWXGPRXWWKFSZ-DEDYPNTBSA-N 357.410 4.000 30 40 FIEB C=CCc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc(OCC)c1O 409113305 HJULUKUTUJDRQE-AUEPDCJTSA-N 365.355 4.379 30 40 FIEB COc1cc(/C=C2\Oc3ccc4ccccc4c3C2=O)cc([N+](=O)[O-])c1O 1775965010 PVKFPLVCXGONND-YVLHZVERSA-N 363.325 4.078 30 40 FIEB Cc1ccc2nc(SCC(=O)Nc3ccc(F)cc3)c(C#N)cc2c1 832531 LLVDBTVOXFAELF-UHFFFAOYSA-N 351.406 4.285 30 40 FIEB C[C@@](O)(C#Cc1ccccc1)c1ccc([C@](C)(O)C#Cc2ccccc2)cc1 2202203 JJWICWWJUHELCN-CLJLJLNGSA-N 366.460 4.205 30 40 FIEB N#CCCN(C(=O)CSc1nc2ccc(Cl)cc2[nH]1)c1ccccc1 2638481 PCULAIIUKMXBMI-UHFFFAOYSA-N 370.865 4.255 30 40 FIEB O=C(O)C(=O)/C(=C\c1cccc(C(F)(F)F)c1)c1ccc2ccccc2n1 6258174 IFDYGTCEKJFLIB-PTNGSMBKSA-N 371.314 4.448 30 40 FIEB O=[N+]([O-])c1cc(/C=N/c2ccc(Cl)cc2)ccc1Sc1nnc[nH]1 6494840 CGFWQDWNQHCVKK-CAOOACKPSA-N 359.798 4.268 30 40 FIEB CC(C)C[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1CCC#N 12629452 UUKJKXKXAHXEGG-LJQANCHMSA-N 360.461 4.467 30 40 FIEB C=CCc1cc(C(=O)N[C@H](CC)c2ccc(OC)c(OC)c2)ccc1OC 218659469 YVNXWAWMUHXVJA-GOSISDBHSA-N 369.461 4.322 30 40 FIEB Cc1ccc(/N=C/c2ccc(CNS(=O)(=O)c3ccc(C)cc3)o2)cc1 408780363 XSUXODKEGOKGIQ-FYJGNVAPSA-N 368.458 4.126 30 40 FIEB Cc1ccc(/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cc1Br 712972 QVTHQWAEKCBYGN-REZTVBANSA-N 363.167 4.145 30 40 FIEB O=C(NC1CCCCC1)O/N=C1\C(=O)N(c2ccccc2)c2ccccc21 5769400 LUFKNSSDAHUWPR-NMWGTECJSA-N 363.417 4.128 30 40 FIEB COc1ccc(/C=N/Nc2nc(-c3cc(F)ccc3OC)cs2)cc1 7763178 XRNKWORKLLTHQC-KEBDBYFISA-N 357.410 4.412 30 40 FIEB COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3onc(C)c32)cc1OC 13692720 RWWFMUHJLLCQPP-GOSISDBHSA-N 368.433 4.201 30 40 FIEB N#Cc1ccsc1NC(=O)CSc1nccn1-c1cccc(Cl)c1 14095993 UHGZHYMCPJHJOK-UHFFFAOYSA-N 374.878 4.190 30 40 FIEB N#Cc1ccc(OCC(=O)Nc2nc(-c3cccc(Cl)c3)cs2)cc1 40089234 RGFYLRVAEWOIPV-UHFFFAOYSA-N 369.833 4.353 30 40 FIEB N#CCCN(Cc1cccnc1)Cc1csc(-c2ccc(F)cc2)n1 78663634 NYYKWVAKXKWIES-UHFFFAOYSA-N 352.438 4.260 30 40 FIEB C=CCN(c1cccc(C)c1C)S(=O)(=O)c1ccc(OC)c(Cl)c1 224956400 GHBRLNUVULBROF-UHFFFAOYSA-N 365.882 4.347 30 40 FIEB COc1cc(C)c(/C=C2\SC(=Nc3ccccc3)N(C)C2=O)cc1OC 408548861 MIICNRNDKSCTTB-MORMLQEESA-N 368.458 4.246 30 40 FIEB C=CCOc1ccc(/C=N/OCc2ccccc2C#N)cc1Br 408596542 ZYEHARBBUVFOEE-CIAFOILYSA-N 371.234 4.436 30 40 FIEB COc1ccc(Cl)cc1/N=C/c1ccc(OCC(=O)OC(C)C)cc1 409187142 MRTIVBAEESTLKE-SRZZPIQSSA-N 361.825 4.430 30 40 FIEB COc1cccc(NC(=O)CSc2nc3cc(C)ccc3cc2C#N)c1 933871 RHFJZJWHQXHFBS-UHFFFAOYSA-N 363.442 4.154 30 40 FIEB N#CCOc1ccc2c(=O)c(Oc3ccccc3Br)coc2c1 1787458 IQQZHHKDGOGWQQ-UHFFFAOYSA-N 372.174 4.250 30 40 FIEB biogenic Cc1nc2scc(-c3ccccc3)c2c(=O)n1/N=C/c1cccs1 3181933 YUTNIXNCAVIWSP-VXLYETTFSA-N 351.456 4.377 30 40 FIEB C=C(C)CSc1nnc(SCC(=O)Nc2ccc(C)c(F)c2)s1 7230359 OMMOYFFZTFTAPD-UHFFFAOYSA-N 369.512 4.385 30 40 FIEB CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2F)cc(Cl)c1O 14139385 TWIXFOVMVYVVFD-QPJJXVBHSA-N 350.773 4.488 30 40 FIEB COc1ccc(C(=O)/C(=C/c2cccnc2)c2nc3ccccc3[nH]2)cc1 33752738 HUZYBKGICRJLCF-AQTBWJFISA-N 355.397 4.390 30 40 FIEB C=CCSc1nnc(NC(=O)c2c(C)noc2-c2ccccc2)s1 35671477 XDWNONOFMKOKLK-UHFFFAOYSA-N 358.448 4.032 30 40 FIEB C#CCOc1ccc([C@@H]2CC(O)=Nc3nc(N4CCCCC4)sc32)cc1 36356915 GIBZZMZKVZPBTM-INIZCTEOSA-N 367.474 4.269 30 40 FIEB CCS[C@@H]1CC[C@H](N(C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 72304987 GGGTXVAZGFXVAT-AZUAARDMSA-N 373.566 4.156 30 40 FIEB CCOc1ccc(/N=C/C(=C/Nc2ccc(OCC)cc2)[N+](=O)[O-])cc1 100713994 PJVGAHXUERDQSR-QZKUAPIUSA-N 355.394 4.417 30 40 FIEB Cc1cc2c(cc1/C=N/Nc1ccc([N+](=O)[O-])cn1)[C@@H](C)CC(C)(C)N2C 208216393 HKLFZLJSSRJNCN-HYLGSWLWSA-N 367.453 4.466 30 40 FIEB C[C@H](NC(=O)N[C@H]1CCCc2cc(C#N)ccc21)C1CCC(F)(F)CC1 594247993 IUECPMYGAFLCSG-UGSOOPFHSA-N 361.436 4.449 30 40 FIEB C=C1[C@@H](NC)CC[C@]23C[C@@]24CC[C@]2(C)[C@H](C(C)=O)[C@@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13 2060990734 KTASKRCJBXZGMH-NCKPSBMDSA-N 371.565 4.103 30 40 FIEB C=CCn1c(C)c(C=C2C(=O)OC3(CCCCC3)OC2=O)c2ccccc21 977288 SMXADHJFXXLOLN-UHFFFAOYSA-N 365.429 4.280 30 40 FIEB Cc1ccccc1N/N=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 4600416 KRDCBUYIKGGSLK-DARPEHSRSA-N 354.413 4.214 30 40 FIEB Cc1ccsc1/C=C1\Oc2cc(OC(=O)c3ccco3)ccc2C1=O 5156643 OYRYJTSYQLDCGO-YBEGLDIGSA-N 352.367 4.485 30 40 FIEB CC1=C[C@@H](C)[C@H](/C=N/n2cnc3c([nH]c4ccc(F)cc43)c2=O)[C@@H](C)C1 5277619 PNOVVDRHHMKFHS-OAJARIBPSA-N 352.413 4.089 30 40 FIEB O=C1N/C(=N/c2ccccc2F)S/C1=C/c1ccc(Br)o1 5376724 CSIWJXRUADQZBF-YRNVUSSQSA-N 367.199 4.073 30 40 FIEB C=CCOc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)CC)cc1 8040997 KYKCCDULJYJZKJ-HNNXBMFYSA-N 352.434 4.032 30 40 FIEB C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)Cc1cccs1 8156968 MSXHFCIONCDWKR-ZDUSSCGKSA-N 373.547 4.409 30 40 FIEB CCN1C=C(C(=O)/C=C/c2ccc(F)cc2)[C@H](c2ccccc2)NC1=O 12389415 DCDUKTHLWBTWEY-YPNIWSFNSA-N 350.393 4.078 30 40 FIEB Cc1ccc(C(=O)/C=C/c2cc3ccccc3nc2N2CCOCC2)cc1 16405539 WKUJRHIHUJUHOU-ZHACJKMWSA-N 358.441 4.276 30 40 FIEB C[C@@H]1CCCCN1Cc1c(O)ccc2c1O/C(=C\c1cccs1)C2=O 20503985 VAGQRUHSUPTKRQ-NCUBORBFSA-N 355.459 4.444 30 40 FIEB biogenic N#Cc1c(N)nc(SCC(=O)c2ccccc2)c(C#N)c1[C@@H]1CC=CCC1 20813309 VTCGRQIFLANXHW-OAHLLOKOSA-N 374.469 4.206 30 40 FIEB CC(C)NC(=O)Nc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 32831772 ZJHOWLNBDFUPEA-LFYBBSHMSA-N 353.378 4.021 30 40 FIEB Cc1csc([C@@H](C#N)C(=O)Cc2c[nH]c3cccc(Br)c23)n1 89705265 QLETZQWBNVYLQR-NSHDSACASA-N 374.263 4.114 30 40 FIEB C=CCOc1ccc(Br)cc1/C=C\c1onc(C)c1[N+](=O)[O-] 408543195 NIWPGQAAMPLZTJ-XQRVVYSFSA-N 365.183 4.389 30 40 FIEB Cc1ccc(/N=C2\S/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)N2C)cc1 408912389 QBUKFJQWYMBCOP-BDYZYUDZSA-N 353.403 4.137 30 40 FIEB CCCC[C@@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@H]1c1cccc([N+](=O)[O-])c1 4626439 PVOUQHSYYODXDA-RDTXWAMCSA-N 374.437 4.096 30 40 FIEB CC/N=C1\S[C@@H](Cc2cc(C(C)C)c(OCC)cc2C)C(=O)N1CC 6348070 WYZFPMVBXWJKFX-OQLSDQBISA-N 362.539 4.399 30 40 FIEB CC(C)OCCCn1c(N/N=C2\CCCC[C@@H]2C)nc2ccccc2c1=O 7864250 KKWCQLXOZYDMOE-FVOSJULTSA-N 370.497 4.190 30 40 FIEB Cc1ccc(/N=C2\S/C(=C/c3ccc(OCC#N)cc3)C(=O)N2C)cc1 8362885 LYPUIRJKWRNCGX-PVTBXJRFSA-N 363.442 4.131 30 40 FIEB CN/C(S)=N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 11990340 XYUVJUYGEMIILY-FSJBWODESA-N 367.449 4.397 30 40 FIEB N#Cc1c(COC(=O)c2cc(Cl)cc(Cl)c2N)cn2ccccc12 13012367 YGNKLEDGYMRFCW-UHFFFAOYSA-N 360.200 4.057 30 40 FIEB C[C@@H]1CCc2ccccc2N1CC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N 24679476 GNPWKQWIORCKPH-CRAIPNDOSA-N 368.440 4.065 30 40 FIEB C#CCOc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccc(OC)cc2)cc1 36360259 MRGACIGFGADFFG-IBGZPJMESA-N 373.412 4.017 30 40 FIEB C=CCN(c1c(C)cccc1C)S(=O)(=O)c1ccc(OC)c(Cl)c1 224947916 CSXNIOQFTHQWSE-UHFFFAOYSA-N 365.882 4.347 30 40 FIEB Sc1nnc(C2CCCCC2)n1N=Cc1cccc(Br)c1 252429408 LKQFXUSTJXHWFW-UHFFFAOYSA-N 365.300 4.259 30 40 FIEB Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc([N+](=O)[O-])o2)S1 408866277 HAQSWWOGTZEMTN-GHXNOFRVSA-N 363.782 4.041 30 40 FIEB N#CCC1(CS(=O)(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CC1 579436073 WGPJJZZXUFSEFL-HNNXBMFYSA-N 373.305 4.154 30 40 FIEB CC(=O)C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccc(C)cc1 813567 PHSAMILDQDWAIE-OAQYLSRUSA-N 374.440 4.003 30 40 FIEB COc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2Br)cc1 7939578 KIVXLSNVJSZSBC-WEVVVXLNSA-N 362.179 4.262 30 40 FIEB Cc1cc(C(=O)COC(=O)C2(C#N)CCCC2)c(C)n1-c1ccc(F)cc1 8779553 ISCRIYNKWPZXRQ-UHFFFAOYSA-N 368.408 4.043 30 40 FIEB CC(/C=C/c1ccccc1)=C\C(C)=N\NS(=O)(=O)c1ccc(C)cc1 13407784 MXUZSUTUSDYKRY-LEJFNVRDSA-N 354.475 4.309 30 40 FIEB O=C(Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O)c1ccco1 13770277 FYWYRMHXDPKEHA-ZDLGFXPLSA-N 350.301 4.254 30 40 FIEB C=CCc1cc(C(=O)NCCSCc2ccc(C)cc2)ccc1OC 14400715 FZMCHKSHGXFFGJ-UHFFFAOYSA-N 355.503 4.395 30 40 FIEB N#Cc1cccc(CSc2nnc(COc3ccccc3Cl)o2)c1 36882709 ZQXNBNXKZLAXQJ-UHFFFAOYSA-N 357.822 4.466 30 40 FIEB N#Cc1ccsc1NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 58379503 JYHHSBMZWFEEHY-UHFFFAOYSA-N 357.822 4.499 30 40 FIEB Cc1oc(-c2cccs2)nc1C(=O)OCc1cn2ccccc2c1C#N 58924042 YCYABKHKUAMYNR-UHFFFAOYSA-N 363.398 4.193 30 40 FIEB FC(F)(F)C[C@](F)(I)C(F)(F)C(F)(F)F 103528152 NBXGMSYIYNBMKV-REOHCLBHSA-N 359.957 4.237 30 40 FIEB CCCCc1ccc(-n2c(C)cc(/C=N/NC(=S)NCC)c2C)cc1 108043109 JCFAQRZNSPHBHI-HYARGMPZSA-N 356.539 4.255 30 40 FIEB C=CCOc1ccc(N(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 224944904 UXEMRMOLGPUKGS-UHFFFAOYSA-N 372.273 4.383 30 40 FIEB N#Cc1nc(COc2ccccc2Cl)oc1NCCc1ccccc1 934597 MNTXYLXZEBNKTI-UHFFFAOYSA-N 353.809 4.433 30 40 FIEB N#Cc1ccccc1C[C@@H]1c2ccccc2Cn2c1nc(=O)c1ccccc12 1781014 RXSKRLHIHRTZPM-OAQYLSRUSA-N 363.420 4.004 30 40 FIEB S=C(N/N=C\c1ccc(Cl)cc1Cl)Nc1ccc2c[nH]nc2c1 4876796 FSDPYDBMALYHBL-GXHLCREISA-N 364.261 4.190 30 40 FIEB CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1OC(C)C 19535471 XYYVUIYOOVGQSV-FQEVSTJZSA-N 369.461 4.005 30 40 FIEB N#C[C@H]1C(=O)Nc2nc3ccccc3n2[C@@H]1c1ccc(Cl)c(Cl)c1 20637960 AVTVAJOGOSZAQL-MEBBXXQBSA-N 357.200 4.024 30 40 FIEB CCc1nc(C#N)c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)o1 26779529 LSPSAWLIEKWMIP-UHFFFAOYSA-N 372.472 4.020 30 40 FIEB Cc1ccc(C)c(N/N=C2\C(=O)N(C3CSC3)c3ccc(Cl)cc32)c1 223739184 ZEWYZAMEWGWWOC-PYCFMQQDSA-N 371.893 4.235 30 40 FIEB C=COC(=O)CSc1nc(-c2ccccc2)cc(C(F)(F)F)c1C#N 1032325 RDKJFCAIJHLGKT-UHFFFAOYSA-N 364.348 4.418 30 40 FIEB CCc1ccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 1959796 JRDOVMAAZXITDO-CYBMUJFWSA-N 354.475 4.324 30 40 FIEB CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc2ccccc12 3098430 LFWNGSRUVVXXPC-OAQYLSRUSA-N 361.441 4.371 30 40 FIEB CCSc1nc2n(n1)[C@H](c1sccc1C)C1=C(CC(C)(C)CC1=O)N2 4436389 AXPOCQYZRLOBSA-AWEZNQCLSA-N 374.535 4.418 30 40 FIEB CC(=O)/N=C(\Nc1ccc(-c2ccccc2)cc1)Nc1nc(C)cc(C)n1 5587619 XFANIVBJBBIRTQ-UHFFFAOYSA-N 359.433 4.187 30 40 FIEB Cc1cc(C)c(C#N)c(SCc2cc(=O)oc3cc4c(cc23)CCC4)n1 6832063 CQSVUNHUODCHSO-UHFFFAOYSA-N 362.454 4.458 30 40 FIEB biogenic Cc1cccc(C(C)C)c1NC(=O)C1CCN(c2ccc(C#N)cn2)CC1 25282115 RSQPORBLFHCWTL-UHFFFAOYSA-N 362.477 4.240 30 40 FIEB Cc1ccc(C(=O)OCC(=O)/C=C2\N(C)c3ccccc3C2(C)C)c(C)c1 32876696 ZOBRGCKASDNADJ-BKUYFWCQSA-N 363.457 4.341 30 40 FIEB N/C(=N/OCc1ccc(Cl)cc1)c1ccc(Oc2ccccc2)nc1 58370832 OKWRMPBZCJZNCE-UHFFFAOYSA-N 353.809 4.364 30 40 FIEB CCN(CC(=O)N(CCC#N)c1ccc(C)cc1)[C@H](C)c1cccc(O)c1 72308232 SEPOTTSYJRMJQJ-GOSISDBHSA-N 365.477 4.030 30 40 FIEB CC(C)Oc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1C#N 178826158 OUFHHSPVNSHXBT-UHFFFAOYSA-N 364.445 4.032 30 40 FIEB C=CCN(c1cccc(OCC)c1)S(=O)(=O)c1ccc(Cl)cc1 224718422 FAEBCMKMLMNKMH-UHFFFAOYSA-N 351.855 4.120 30 40 FIEB NC(=S)N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12 408820816 ZBXNXBFKCIIJNR-SSDVNMTOSA-N 369.877 4.239 30 40 FIEB CC(C)c1cc(/C=N/N2C(=O)c3ccccc3C2=O)cc(C(C)C)c1O 408850500 ODRBPZMLZOUSTJ-SSDVNMTOSA-N 350.418 4.269 30 40 FIEB COc1ccc(C/N=C\c2cc(Br)c(Br)o2)cc1 408853807 SKAHTSVCYYJIHK-PXNMLYILSA-N 373.044 4.432 30 40 FIEB CCCOc1c(Cl)cc(/C=C2\C(=O)ON=C2c2ccccc2)cc1OC 409089280 ZRPLNXJPFWZZPX-GDNBJRDFSA-N 371.820 4.482 30 40 FIEB Cc1ccc(/N=C/c2ccc(OCC(=O)O)c(Br)c2)cc1C 409213148 SOYAPSXPKVJZOR-DJKKODMXSA-N 362.223 4.280 30 40 FIEB CN1C(=O)/C(=C/c2cn(CC#N)c3ccccc23)SC1=Nc1ccccc1 409383437 VBSBAOYIHYKAQJ-CUVVSLBBSA-N 372.453 4.399 30 40 FIEB N#Cc1c2nc3ccccc3nc2n2cc(NC(=O)c3cccs3)ccc12 2235397 GORCVCWQGQZRSR-UHFFFAOYSA-N 369.409 4.221 30 40 FIEB N#CCCn1cc(/C=C2\COc3ccccc3C2=O)c(-c2ccccc2)n1 3297978 NJMCFBOPNSIIDT-QGOAFFKASA-N 355.397 4.122 30 40 FIEB Cc1cc(C)n(/N=C/c2ccc(-c3ccc(Cl)cc3)o2)c(=O)c1C#N 5214206 FMLJJAPFOJIDNZ-SSDVNMTOSA-N 351.793 4.132 30 40 FIEB O=C(Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O)c1ccc(F)cc1 5252678 WCRPTCUHIVOADO-ZDLGFXPLSA-N 350.301 4.254 30 40 FIEB Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)c1ccc2c(c1)OCCO2 7745451 AYVSUMYPYPKDQH-MDZDMXLPSA-N 360.413 4.156 30 40 FIEB COc1ccc(/C=N/NCc2c(Cl)cccc2Cl)cc1[N+](=O)[O-] 9195812 ZIGOIRRMMXTOEZ-QGMBQPNBSA-N 354.193 4.034 30 40 FIEB O=C(/C=C/c1ccc(OC(F)F)cc1)c1cccc(N2CCOCC2)c1 11334578 OZYJGFCFYZZXTR-RMKNXTFCSA-N 359.372 4.021 30 40 FIEB N#Cc1c(-c2ccc(Br)cc2)cc(-c2cccnc2)nc1N 20289507 IHXZLFVZXDEAEP-UHFFFAOYSA-N 351.207 4.027 30 40 FIEB CCCCC(=O)Nc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)cc1OC 32115526 NGIWMVHOKRMQFO-UDWIEESQSA-N 371.393 4.188 30 40 FIEB CCCOc1ccc(/C=N\OCC(=O)Nc2ccc(C)cc2C)cc1OC 35396401 GORPCQYCPLCIRD-XKZIYDEJSA-N 370.449 4.090 30 40 FIEB C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)c1nc(C2CC2)no1 53824059 NAPUANMCOQFZTQ-ZDUSSCGKSA-N 367.478 4.169 30 40 FIEB C[C@@]12CCC(=O)C=C1[C@H]1C[C@H]1[C@@H]1[C@@H]3[C@H]4C[C@H]4[C@]4(CCC(=O)O4)[C@]3(C)CC[C@H]12 1529015161 METQSPRSQINEEU-ISSAZFFLSA-N 366.501 4.306 30 40 FIEB N#Cc1c(N2C(=O)Nc3ccccc3N2O)sc2c1CCCCCC2 688269 NRXLIAAAKNANIF-UHFFFAOYSA-N 354.435 4.441 30 40 FIEB Cc1sc2ncn(Cc3cccc(C#N)c3)c(=O)c2c1-c1ccccc1 7537508 FKMKNCWQXOQEBT-UHFFFAOYSA-N 357.438 4.353 30 40 FIEB C=CCn1c(-c2ccc(OC)c(OC)c2)cs/c1=N\c1ccccn1 12371363 YFCVUMHBJSILIC-VZCXRCSSSA-N 353.447 4.047 30 40 FIEB CC(=N\OC(=O)Nc1ccccc1)/C(C)=N/OC(=O)Nc1ccccc1 16137258 VCESWYFNPLXCPV-JFMUQQRKSA-N 354.366 4.236 30 40 FIEB CCOc1cc2c(cc1OCC)-n1cccc1[C@H](c1ccc(C#N)cc1)NC2 20528583 OPHMJADRAWNKTP-QHCPKHFHSA-N 373.456 4.339 30 40 FIEB CCCCCCCC(=O)N1CCc2[nH]c3ccc(C(=O)OC)cc3c2C1 102992681 JSMXFUYVSPIBFU-UHFFFAOYSA-N 356.466 4.200 30 40 FIEB CC1(C)C[C@@H](NC(=S)Nc2ccc(CC#N)cc2)c2ccccc2O1 225576486 YUOCFQVFDQQBKQ-QGZVFWFLSA-N 351.475 4.341 30 40 FIEB Brc1cc(/C=N\c2ccc3c(c2)OCO3)oc1Br 408954218 RXSZJDCABVUJKJ-WCSRMQSCSA-N 373.000 4.284 30 40 FIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCc4ccc(F)cc4)[C@H]3C[C@@H]12 4028687 LRVWHXPTQLKMLD-OUUKCGNVSA-N 357.469 4.230 30 40 FIEB biogenic Cc1ccc([C@@H]2C3=C(CCCC3=O)Nc3nn(-c4ccccc4)c(O)c32)cc1 6064973 ACVWXQDLQGXWRF-LJQANCHMSA-N 371.440 4.451 30 40 FIEB CCn1c(/N=C/c2c(C)nn(-c3ccc(C)cc3)c2O)nc2ccccc21 6621453 LTLCAPUBIYIJOV-LPYMAVHISA-N 359.433 4.315 30 40 FIEB C=CCSc1ccccc1NC(=O)Cc1cc(OC)c(OC)c(OC)c1 9721673 RMYHDEOIQAURQV-UHFFFAOYSA-N 373.474 4.172 30 40 FIEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1cccs1)c1c(O)n[nH]c1N2 18197252 YIMGCLUUOUODTJ-VFZGTOFNSA-N 369.471 4.197 30 40 FIEB Cc1ccc(C(=O)C[n+]2cc(-c3ccc(F)cc3)n3c2CCCCC3)cc1 27028208 OCOZUCDVLAGBPL-UHFFFAOYSA-N 363.456 4.499 30 40 FIEB Cc1cccc2c1/C(=N/O)C(=O)N2Cc1ccc(OCCC(C)C)cc1 46085141 UWKKRUYXQIZEQB-XDOYNYLZSA-N 352.434 4.145 30 40 FIEB Cc1ccc(C[C@H](C#N)Sc2nnc(C3CC3)n2Cc2ccco2)cc1 58167594 KZWUUFYXEDMCNU-GOSISDBHSA-N 364.474 4.332 30 40 FIEB CN(C(=O)CNc1ccc2nc(C3CC3)sc2c1)C1(C#N)CCCCC1 63890142 KBTXOBUITWSVRJ-UHFFFAOYSA-N 368.506 4.270 30 40 FIEB C=CCSc1ccccc1C(=O)Nc1ccccc1C(=O)NC(C)C 219803669 MBRLBNSRPSCILP-UHFFFAOYSA-N 354.475 4.355 30 40 FIEB CCC[C@H]1S/C(=N\N=C\c2ccccc2)N(Cc2ccc(F)cc2)C1=O 2297251 MJRLYDONLOUCPS-DRNJXZDHSA-N 369.465 4.460 30 40 FIEB COC(=O)c1ccc(/C=C/C(=O)c2cc3cc(Cl)ccc3oc2=O)cc1 4598250 MEHFYHIBOPGTFK-XBXARRHUSA-N 368.772 4.129 30 40 FIEB C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C#N)nc2ccccc21 5619039 NMBNIKXTGABCEE-AWEZNQCLSA-N 362.458 4.213 30 40 FIEB CCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)c2ccc(Cl)cc2)cc1 6046300 WMANOKRXOYCIBZ-GOSISDBHSA-N 370.836 4.250 30 40 FIEB CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(OC)cc1 6187074 LICYRRWUBSCSKI-LJQANCHMSA-N 365.429 4.074 30 40 FIEB O=C1N/C(=N\c2cc(Cl)cc(Cl)c2)S/C1=C\c1cccnc1 11640038 KUIHNHLNAFXFOY-PQMHYQBVSA-N 350.230 4.280 30 40 FIEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)[C@H]3CC=CCC3)c2)c1 12883090 QUHYWIAPLOXQJS-IBGZPJMESA-N 359.425 4.168 30 40 FIEB CCOc1ccc(C(=O)/C=C/c2ccc(C)cc2)cc1CN1CCOCC1 12920556 MPVVQFBSOTVRTR-CSKARUKUSA-N 365.473 4.122 30 40 FIEB N#C[C@@H](C(=O)c1cc(Cl)c2c(c1)OCCCO2)c1nc2ccccc2o1 41543924 WSDBQSXECOHTNE-LBPRGKRZSA-N 368.776 4.133 30 40 FIEB Cc1ccc(C)c2c1/C(=N/O)C(=O)N2CCCOc1ccc2ccccc2c1 46085183 LDLUMFIQEDLUDY-FLFQWRMESA-N 374.440 4.451 30 40 FIEB CCCCCCCC[C@H](C)NCCOC(=O)c1ccc([N+](=O)[O-])cc1 104101700 PXBSDPLTIJHXDL-INIZCTEOSA-N 350.459 4.480 30 40 FIEB CCNC(=S)N/N=C/c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C 107995021 ZZQAXRQNCWIXBU-AWQFTUOYSA-N 369.321 4.219 30 40 FIEB COc1ccc(-c2nc(Cl)c(C#N)cc2Br)cc1OC 257197868 LRQZOSDIHIRUJA-UHFFFAOYSA-N 353.603 4.053 30 40 FIEB N#CCCSc1nnc(-c2ccccc2F)n1CCc1ccccc1 2616208 TVYJANYDUDBWMR-UHFFFAOYSA-N 352.438 4.333 30 40 FIEB CC[C@H]1CCc2c(sc(NC(=O)c3ccc4c(c3)OCO4)c2C#N)C1 2746830 BPPDYNCVXRGFNG-NSHDSACASA-N 354.431 4.116 30 40 FIEB C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1ccc(NC(C)=O)cc1 7285031 VHZZQEUKEOOCQC-UHFFFAOYSA-N 362.882 4.117 30 40 FIEB C=CCNc1nnc(SCc2nc(-c3ccccc3Cl)no2)s1 7504331 VEIFHAGTYYCWQA-UHFFFAOYSA-N 365.871 4.132 30 40 FIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccnc2)cc1 8715714 WWMATYMRTUDVMU-FQEVSTJZSA-N 370.408 4.173 30 40 FIEB C=CCSc1ccccc1NC(=O)COc1ccc(C#N)cc1OCC 21758910 QIZQXMKEUBMCMV-UHFFFAOYSA-N 368.458 4.253 30 40 FIEB CC1=NN(c2ccc(C(=O)[C@H](C#N)c3nc4ccccc4s3)cc2)CC1 48824473 WPXBHIIYPPAGEP-INIZCTEOSA-N 360.442 4.372 30 40 FIEB C=CCSCC(=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1 56979587 QHUAOPOEBLMEEN-UHFFFAOYSA-N 350.827 4.043 30 40 FIEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1cc(Cl)ccc1O 58900526 KQZFKQYXBUCICY-FBCYGCLPSA-N 359.691 4.419 30 40 FIEB Cc1cccc(Cc2nc(SCc3ccccc3C)nc(N)c2C#N)c1 223670995 HIUSOLYVARYWPX-UHFFFAOYSA-N 360.486 4.430 30 40 FIEB CC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@H]1c1ccc(N(C)C)cc1 408731692 PDJCHKSMDQPBPI-FQEVSTJZSA-N 365.502 4.051 30 40 FIEB N#Cc1ccc(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)cc1 3226294 OLRJAWRJVXWUPV-UHFFFAOYSA-N 360.398 4.065 30 40 FIEB CCOC(=O)c1ccc(/N=C/c2ccc(OC(=O)c3ccco3)cc2)cc1 4135346 WKFXYYUJQDAXKL-HYARGMPZSA-N 363.369 4.426 30 40 FIEB CC(=O)/C(=N\Nc1ccccc1[N+](=O)[O-])Sc1cccc2cccnc12 4492378 CKOLSBFVXGCSKI-DYTRJAOYSA-N 366.402 4.250 30 40 FIEB CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccccc1 9011867 ZXPNQKLCTHUKAY-LJQANCHMSA-N 365.429 4.074 30 40 FIEB Cn1c([C@@H](C#N)C(=O)/C=C/c2cccc(C(F)(F)F)c2)nc2ccccc21 9615295 QPNBWJGTQQRSQE-FEAKQIBJSA-N 369.346 4.482 30 40 FIEB O=C(/C=C/c1cc(Cl)c2c(c1)OCO2)c1ccc(-n2cccn2)cc1 12791098 ONGGOJSGAKGKGC-FARCUNLSSA-N 352.777 4.151 30 40 FIEB COc1cc(/C=C/C(=O)N[C@@H](C)c2cccc(Cl)c2)ccc1OCC#N 15562118 XJOTWVCGVUKTEU-KGXGESDWSA-N 370.836 4.142 30 40 FIEB CC1=C(C(=O)OCC(C)C)[C@@H](c2ccccc2)C2=C(N1)c1ccccc1C2=O 19228806 BIVUHRPIBQMTBM-HXUWFJFHSA-N 373.452 4.454 30 40 FIEB CCOc1cc(/C=C2\COc3ccc(OC)cc3C2=O)cc(Cl)c1OC 22958245 OFGQPMRLMLTZCV-NTUHNPAUSA-N 374.820 4.415 30 40 FIEB COc1ccc(C(=O)CSc2nc3ccc(OC)cc3cc2C#N)cc1 35289037 PHSHEYLKGXDVCC-UHFFFAOYSA-N 364.426 4.099 30 40 FIEB CC/N=C1\S/C(=C\c2ccc(-c3cccc(C(C)=O)c3)o2)C(=O)N1CC 59104422 MSJWEGIIGUNEEQ-RTPYTOBHSA-N 368.458 4.461 30 40 FIEB O=[N+]([O-])c1ccc(Cl)c(/C=N/Nc2ccc(Br)cc2)c1 59154250 ZDOCKULLGFVYEH-LZYBPNLTSA-N 354.591 4.457 30 40 FIEB Fc1cccc(CN2CCC(=NNc3nc4ccccc4s3)CC2)c1 63352882 RTYVSIAWAWLHIR-UHFFFAOYSA-N 354.454 4.499 30 40 FIEB CC(C)n1cc(C/C(O)=N/c2nc(C(F)(F)F)n[nH]2)c2ccccc21 72404098 YMROTPLBZLHDOQ-UHFFFAOYSA-N 351.332 4.190 30 40 FIEB CCN1C(=O)/C(=C\c2cccc(OC)c2)S/C1=N/c1ccc(F)cc1 409246086 DRMWTFCVWBZYER-HWWZFDGNSA-N 356.422 4.458 30 40 FIEB Cc1ccc(S(=O)(=O)N/N=C/c2ccccc2SC(C)(C)C)cc1 707793 CISNLTQJDDVBGQ-CPNJWEJPSA-N 362.520 4.198 30 40 FIEB CC(=O)[C@H]1C(=O)C=C(c2ccco2)C[C@@H]1c1cccc(Br)c1 1087879 HPQYJAGICBURBM-CRAIPNDOSA-N 359.219 4.387 30 40 FIEB Cc1cc2cc(C#N)c(SCC(=O)N3CCC[C@H](C)C3)nc2cc1C 1354498 FHJIDHRRUDUXHM-ZDUSSCGKSA-N 353.491 4.074 30 40 FIEB Cc1cc(-n2c(SCCC#N)nnc2-c2cccnc2)ccc1Cl 2911335 OFFITCRXHZZEPL-UHFFFAOYSA-N 355.854 4.297 30 40 FIEB O=[N+]([O-])c1cccc(/C=N/Nc2nc(C(F)(F)F)nc3ccccc23)c1 4041955 XNYGPCPHTYWRMD-AWQFTUOYSA-N 361.283 4.003 30 40 FIEB Cc1ccc(-n2c(SCC#N)nc3sc(C)c(C)c3c2=O)c(C)c1 7471328 QHNHOWKICXHEEG-UHFFFAOYSA-N 355.488 4.297 30 40 FIEB Cc1ccc(C)c(NC(=O)COc2c(Cl)cc(/C=N\O)cc2Cl)c1 8369947 CKLDPACABAXJTJ-ZBKNUEDVSA-N 367.232 4.436 30 40 FIEB COc1cc(OC)c(/C=N/c2ccc([N+](=O)[O-])cc2)cc1Br 12418112 VBKDALPWLYORSL-RQZCQDPDSA-N 365.183 4.125 30 40 FIEB Cc1onc(-c2ccccc2)c1-c1nnc(COc2ccc(C#N)cc2)o1 12981581 HDXSGBVSXBZUKT-UHFFFAOYSA-N 358.357 4.151 30 40 FIEB O=[N+]([O-])c1cc(/C=N/n2cnnc2SCc2ccccc2)ccc1Cl 59489964 XRUMUSOOEBPEOJ-DJKKODMXSA-N 373.825 4.014 30 40 FIEB CC1(C)C[C@H](NC(=S)Nc2ccc(CC#N)cc2)c2ccccc2O1 225576513 YUOCFQVFDQQBKQ-KRWDZBQOSA-N 351.475 4.341 30 40 FIEB C=CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1ccccc1 3485317 HWRJQHYAFKZUIB-UHFFFAOYSA-N 353.422 4.245 30 40 FIEB O=C(O)COc1ccc(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1 3981561 DCUDBWMZJBOZAB-KRXBUXKQSA-N 351.185 4.353 30 40 FIEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H]5O[C@@]5(C(C)=O)[C@@]4(C)CC[C@H]32)C1 4081840 YRLVTBXOGJMZNC-ISMUUWQHSA-N 372.505 4.217 30 40 FIEB biogenic O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(/N=C2\NCCCS2)cc1 6366514 MXWCXMBJAVZVHN-BJMVGYQFSA-N 367.430 4.205 30 40 FIEB COc1ccc(SCCC(=O)Nc2sc3c(c2C#N)CCC3)cc1 10219576 YGNNWSUECNZFBF-UHFFFAOYSA-N 358.488 4.238 30 40 FIEB CSc1ccc([C@H]2Nc3nonc3NC3=C2C(=O)CC(C)(C)C3)cc1 12323166 QMJJAWZNPONXKH-OAHLLOKOSA-N 356.451 4.013 30 40 FIEB Cc1nc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cs1 65475565 GPPAMYQDVMTUES-UHFFFAOYSA-N 350.403 4.071 30 40 FIEB CCN1C(=O)/C(=C/c2ccc(O)cc2)S/C1=N/c1ccc(OC)cc1 97466895 GZJHMLPEYUGAIH-QLJNEMMGSA-N 354.431 4.025 30 40 FIEB Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)S1 8277581 YNZFPLFMCFVGKP-OQLLNIDSSA-N 373.821 4.448 30 40 FIEB C=CCOc1ccc(C(=O)Nc2ccccc2C(=O)NCCCC)cc1 8481275 YXLPFKZPYIDDGM-UHFFFAOYSA-N 352.434 4.034 30 40 FIEB N#Cc1ccsc1NC(=O)CSc1nc(C2CC2)nc2ccccc12 8756328 SXTZJTHMCMTEIX-UHFFFAOYSA-N 366.471 4.171 30 40 FIEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 11074328 WSYKRONQUJVNQV-INIZCTEOSA-N 371.440 4.123 30 40 FIEB C=CCOc1ccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1 15832047 XQKOMDRXKWUCOK-UHFFFAOYSA-N 362.429 4.412 30 40 FIEB Cn1c(=S)n(CN(CCC#N)Cc2cccnc2)c2cc(Cl)ccc21 48354170 URQPIMXQAJMFEB-UHFFFAOYSA-N 371.897 4.131 30 40 FIEB CCN1c2ccc(/C=C3\S/C(=N\C)N(C)C3=O)cc2[C@@H](C)CC1(C)C 223534780 FGVGNIDSRUMOEA-YEGOXJMZSA-N 357.523 4.331 30 40 FIEB C#CCN1C(=O)S/C(=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3CC)C1=O 223539224 SOADKGONSOIFRM-HIXWQLQUSA-N 368.502 4.468 30 40 FIEB COc1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)c1 409101142 VVZNZHOCDJENOF-AWQFTUOYSA-N 353.300 4.377 30 40 FIEB CCCN1C(=O)[C@@H](Cc2ccccc2)S/C1=N/c1ccc(OC)cc1 409139888 GFYRYXDRJVCIDG-PNBGARPFSA-N 354.475 4.279 30 40 FIEB N#Cc1cc2c(nc1SCCC(=O)c1ccc(F)cc1)C1CCN2CC1 2361497 VEEGRWFRRXJSFG-UHFFFAOYSA-N 367.449 4.155 30 40 FIEB O=C1/C(=C/c2c(F)cccc2Cl)Oc2c1ccc(O)c2CN1CCCC1 2432292 GNCSVWTXVPUYGA-ZDLGFXPLSA-N 373.811 4.397 30 40 FIEB CCc1c(C)c(C#N)c2nc3ccccc3n2c1N/N=C/c1cccnc1 5460568 XOUSDQUJXWAAKG-ZMOGYAJESA-N 354.417 4.071 30 40 FIEB Cc1ccc(Cn2nc(C)c(/C=N/Nc3nncc4ccccc34)c2C)cc1 6287506 SHLVMBZOXMPTGW-ZMOGYAJESA-N 370.460 4.246 30 40 FIEB CSc1ccc([C@@H]2Nc3nonc3NC3=C2C(=O)CC(C)(C)C3)cc1 12323165 QMJJAWZNPONXKH-HNNXBMFYSA-N 356.451 4.013 30 40 FIEB COc1ccc(OCCn2cc(C#N)c3cc(Br)ccc32)cc1 18190719 XIARIEOGEMFWHG-UHFFFAOYSA-N 371.234 4.363 30 40 FIEB C#CCOC(=O)/C=C/c1ccc(OC)c(OCc2ccc(Cl)cc2)c1 216899235 YVFPWSIUBCYWSA-YRNVUSSQSA-N 356.805 4.117 30 40 FIEB C#CCOC(=O)c1ccc(OC(=O)c2cccc3ccccc23)c(OCC)c1 226306050 ZFWRAHZPUIIQDF-UHFFFAOYSA-N 374.392 4.248 30 40 FIEB C[C@]12CC[C@@](O)(C#CCl)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H](O)CC[C@H]12 253592068 WEJOBCNWKXEZFL-DGBCEIDKSA-N 350.930 4.321 30 40 FIEB CCc1nc(C2(/N=C(/O)[C@@H]3CCc4cc(C)ccc4O3)CCCC2)no1 330021873 YOXSQYKUVOQXFB-INIZCTEOSA-N 355.438 4.060 30 40 FIEB Cc1c(C(=O)O)ccc2c1N[C@@H](c1ccc(OCC#N)cc1)[C@H]1CC=C[C@@H]21 4608565 NIVDEQFZMCZBLY-LQWHRVPQSA-N 360.413 4.422 30 40 FIEB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=N/Nc1ccccc1[N+](=O)[O-] 5163144 AGJLBKJSCJURFC-KEBDBYFISA-N 373.775 4.327 30 40 FIEB C=CCOc1ccc(/C=C2/SC(Nc3ccccc3F)=NC2=O)cc1 6856055 GAFPLYAONWOTKS-SFQUDFHCSA-N 354.406 4.473 30 40 FIEB C=CCOc1ccc(C(=O)N(C)Cc2nc3ccccc3s2)cc1OC 10288207 DRMUNNYTLPSRKW-UHFFFAOYSA-N 368.458 4.142 30 40 FIEB COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3cc(OC)cc(OC)c32)cc1 18200475 WAJOBGZJVOUDDJ-HXUWFJFHSA-N 365.429 4.277 30 40 FIEB Cc1ccc(C(=O)O/N=C2\c3ccccc3-c3ccc([N+](=O)[O-])cc32)cc1 59520269 QJWAGNQRPUUQSI-LSDHQDQOSA-N 358.353 4.493 30 40 FIEB CCCCCCOC(=O)C[N+](C)(C)CCO[C@H]1C[C@@H]2CC[C@]1(C)C2(C)C 100524897 AJKXZFPSOIGUAC-IPJJNNNSSA-N 368.582 4.418 30 40 FIEB CC1=NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=N\Nc1cccc(C)c1 102960642 JPJUOLIQYULTBU-KQWNVCNZSA-N 360.339 4.204 30 40 FIEB CCCCn1c(=O)c(/C=N/c2cccc([N+](=O)[O-])c2)c(O)c2ccccc21 103102485 CYAADIRDBBBLLA-FYJGNVAPSA-N 365.389 4.166 30 40 FIEB C#C[C@]1(O)CC[C@@H]2[C@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 245239628 LFSRETZWVUHKLB-BWTXDCIASA-N 356.506 4.245 30 40 FIEB C=CCc1cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)ccc1O 408767766 NJCWAQDEHKPQEO-CNSVBDKNSA-N 366.486 4.283 30 40 FIEB C[C@H](/C(=N/N(C)C)c1ccccc1)[C@@H](C)/C(=N\N(C)C)c1ccccc1 5412002 ZDFMBBGNNCSRDC-SXEXQMODSA-N 350.510 4.190 30 40 FIEB COc1ccc(/C=C\C(=O)/C=C/c2ccc(OC)c(OC)c2)cc1OC 6672793 BUWQOPHMYRXMLL-VTBWALSUSA-N 354.402 4.017 30 40 FIEB Cc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1ccc(F)cc1 9318596 QFWQONAGRASPHP-YCRPNKLZSA-N 374.419 4.141 30 40 FIEB CCc1ccc(-n2c(=S)[nH]c(O)c(/C=N/c3ccc(F)cc3)c2=O)cc1 101583474 DYGXOUIBYYEWCR-SRZZPIQSSA-N 369.421 4.053 30 40 FIEB C=CCn1c(C)cc(C(=O)CSc2nc(-c3ccccc3)n[nH]2)c1C 2651970 GANGBYLNKNYSOD-UHFFFAOYSA-N 352.463 4.051 30 40 FIEB N#C[C@@H](C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1nc2ccccc2s1 4159732 DDUCSHIRRPTANR-JTQLQIEISA-N 357.778 4.348 30 40 FIEB Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nc3ccccc3[nH]2)c1 6516790 PBNPZTCSZNRDQE-UHFFFAOYSA-N 364.474 4.219 30 40 FIEB C=CCOc1ccc(/C=C/C(=O)c2cc(OC)c(OC)c(OC)c2)cc1 6647662 PGRIWJBAJCOEAP-DHZHZOJOSA-N 354.402 4.173 30 40 FIEB C=C(C)Cn1nc(C)c(CN2CCC[C@](O)(c3ccc(F)cc3)CC2)c1C 12188843 SXFBCWDZHKNLBJ-JOCHJYFZSA-N 371.500 4.089 30 40 FIEB C=CCOc1ccc(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1OC 25446018 MTZQISKDOAGMOD-UHFFFAOYSA-N 369.417 4.078 30 40 FIEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1nc(-c2ccco2)cs1 47171513 BEZXMKJIMHAUAA-UHFFFAOYSA-N 364.386 4.219 30 40 FIEB C=CCN(c1ccc(F)cc1F)S(=O)(=O)c1ccc2ccccc2c1 225058472 JJBAOIQHRPKUCW-UHFFFAOYSA-N 359.397 4.499 30 40 FIEB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N1 902744 TYOIYWQRCUKCCS-IBGZPJMESA-N 371.452 4.381 30 40 FIEB N#Cc1ccc(COC(=O)CCCNc2nc3ccccc3s2)cc1 6586136 HOPFPZRJPJCRFA-UHFFFAOYSA-N 351.431 4.103 30 40 FIEB Cc1csc([C@H](C#N)C(=O)CSc2ncc(-c3ccc(F)cc3)o2)n1 8709108 FNFHPBTVUFAWQL-CYBMUJFWSA-N 373.434 4.214 30 40 FIEB Cc1cc(Br)ccc1N/C=C/C(=O)c1ccc2c(c1)OCO2 44842758 SRYLGIVEXHAWPG-VOTSOKGWSA-N 360.207 4.295 30 40 FIEB CCCN1C(=O)/C(=C\c2ccc(C(=O)O)cc2)S/C1=N/c1ccccc1 100233613 FHCVEQJULLWZMS-NLIDQGKYSA-N 366.442 4.399 30 40 FIEB CC/N=C1\S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1CC 109596647 LMEMBNMJLSEWGT-UGZHYMOWSA-N 371.418 4.167 30 40 FIEB Cc1n[nH]c(C)c1[C@@H]1CCCCCN1/C(O)=N/[C@@H]1C[C@H]1c1ccccc1 329341095 OSWKVADYWNQVBQ-OTWHNJEPSA-N 352.482 4.414 30 40 FIEB CN(C)c1ccc(/N=C\c2ccccc2I)cc1 408549936 BWENKGLJLMPXSH-BOPFTXTBSA-N 350.203 4.108 30 40 FIEB O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1ccc([N+](=O)[O-])cc1 5002482 CGGPYFQTNWFXSU-NTEUORMPSA-N 359.794 4.140 30 40 FIEB C=CCNc1nnc(S[C@H](C)c2nnc(-c3cccc(C)c3)o2)s1 9155403 CXSAHBHCWNCBBF-LLVKDONJSA-N 359.480 4.348 30 40 FIEB C=CCOc1ccc(C(=O)Nc2nonc2-c2ccc(Cl)cc2)cc1 9205181 RLYWOIUBXRFBAS-UHFFFAOYSA-N 355.781 4.207 30 40 FIEB N#Cc1ccc(NC(=O)Cc2csc3nc(-c4ccccc4)cn23)cc1 12530312 MXGGLSPYQPCVBR-UHFFFAOYSA-N 358.426 4.116 30 40 FIEB N#Cc1ccc(OCCSc2nnc(-c3cccs3)n2C2CC2)cc1 14136028 JIBAPPVHPOAPNM-UHFFFAOYSA-N 368.487 4.384 30 40 FIEB CC(=O)C(C(C)=O)=C1Nc2cc(-c3ccccc3)cc(Br)c2O1 40546000 MBOWCAJBJWSZRZ-UHFFFAOYSA-N 372.218 4.310 30 40 FIEB C=CCN1C(=O)N/C(=C/c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)C1=O 409131599 JAOOLGWVHWQWHR-XDHOZWIPSA-N 363.461 4.098 30 40 FIEB C[C@H](NC(=O)NCc1ccccc1CC(F)(F)F)c1cccc(C#N)c1 598999760 RFJYIZCNBOZNGX-ZDUSSCGKSA-N 361.367 4.223 30 40 FIEB O=[N+]([O-])c1cc2c(cc1/C=N/c1nc(-c3ccccc3)cs1)OCO2 1063664 QYKKBYOZEKZTME-QGMBQPNBSA-N 353.359 4.198 30 40 FIEB Cc1ccc2cc(C#N)c(SCC(=O)N3CCc4ccccc43)nc2c1C 4849067 UHMAXVISAVONCU-UHFFFAOYSA-N 373.481 4.405 30 40 FIEB N#Cc1ccsc1NC(=O)CSCc1cccc(Br)c1 7783194 QOCQVEUSZOTYLC-UHFFFAOYSA-N 367.293 4.254 30 40 FIEB CN1/C(=C\C(=O)c2cncc(Br)c2)C(C)(C)c2ccccc21 12511612 WZUHUXBSVHVWKK-MFOYZWKCSA-N 357.251 4.338 30 40 FIEB NC(=S)N/N=C/c1c(OCc2ccccc2Cl)ccc2ccccc12 13572600 FDESLNIKQJPPOE-SSDVNMTOSA-N 369.877 4.239 30 40 FIEB CCC[C@@H]1S/C(=N\N=C\c2ccccc2)N(Cc2ccc(F)cc2)C1=O 51366947 MJRLYDONLOUCPS-XRDZRPQXSA-N 369.465 4.460 30 40 FIEB COc1cccc(/C=C/C(=O)c2ccc3c(c2)OCC(C)(C)CO3)c1OC 225372025 ZHBLWHKLBYGPNJ-CSKARUKUSA-N 368.429 4.397 30 40 FIEB N#Cc1cn(C(=O)c2cc(Cl)c(Cl)c([N+](=O)[O-])c2)c2ccccc12 226361489 SNOXNSNQBXDZIE-UHFFFAOYSA-N 360.156 4.416 30 40 FIEB Cn1c(-c2ccc(Br)cc2)cnc1NCc1ccc(C#N)cc1 819080 ZIEHVYCTMPLWJW-UHFFFAOYSA-N 367.250 4.333 30 40 FIEB C#C[C@@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2083310 AIBWHDYZKNWYQQ-DTILQVPTSA-N 354.490 4.453 30 40 FIEB biogenic CCN(CC)c1ccc(/C=N/O[C@@H](C)C(=O)Nc2ccc(C)cc2)cc1 3284992 IQYCJXZBMIAVSW-HINJULBWSA-N 353.466 4.219 30 40 FIEB C=CCSc1nnc(NC(=O)Cc2ccc(Cl)cc2Cl)s1 3399738 WDPIKAWSEFVLRA-UHFFFAOYSA-N 360.291 4.304 30 40 FIEB Cn1c([C@@H](C#N)C(=O)COc2ccc(Cl)cc2Cl)nc2ccccc21 12575637 BQIRCFWBKHRLLU-LBPRGKRZSA-N 374.227 4.135 30 40 FIEB CCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(OC)cc1 16741484 WCLJLNUXINMFCT-KRWDZBQOSA-N 371.458 4.135 30 40 FIEB COc1ccc(C(=O)/C=C/c2cn(CN(C)C)c3ccccc23)cc1OC 20503975 YEZJQWDZQCOPCU-PKNBQFBNSA-N 364.445 4.074 30 40 FIEB Oc1ccc(/C=N\Nc2nnc(Cc3ccccc3)c3ccccc23)c(O)c1 85883432 CULCJQFKLVKRNO-UCQKPKSFSA-N 370.412 4.078 30 40 FIEB CCOc1ccc(/C=C2\SC(=N)[C@H](c3nccs3)C2=O)cc1OCC 137041408 FMLCLXJSFMEQEQ-PAOGCMMFSA-N 374.487 4.358 30 40 FIEB CC(=O)n1nc(C(F)(F)C(F)(F)C(F)(F)F)cc1-c1ccccc1 2526341 FLNCZWSJKLCSAG-UHFFFAOYSA-N 354.225 4.500 30 40 FIEB O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1cccs1)c1ccco1 4541155 IQKANFBVSBTINP-KRWDZBQOSA-N 365.410 4.120 30 40 FIEB C=CCOc1ccc(/C=C2\SC(=O)N(c3cccc(O)c3)C2=O)cc1 5376219 OOAMWRIKCLEZIF-BOPFTXTBSA-N 353.399 4.198 30 40 FIEB C=CCOC(=O)[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl 5377379 RAZHSAREIGPRIW-QWHCGFSZSA-N 354.233 4.244 30 40 FIEB C/C(=N\N=C(/S)NC1CCCCC1)c1cccc(Br)c1 8691215 ACUOUZFYXZRSIC-WOJGMQOQSA-N 354.317 4.381 30 40 FIEB Cc1cc(N(C)[C@H](CCO)c2ccccc2)n2c(nc3ccccc32)c1C#N 76093034 DYPTWSKEYSNOQJ-HXUWFJFHSA-N 370.456 4.228 30 40 FIEB O=C1C(=O)N(c2ccccc2)[C@@H](c2ccccc2F)/C1=C(\O)c1ccccc1 104124496 SEERVJRHIZOEMS-NHFXJNLRSA-N 373.383 4.452 30 40 FIEB CCCC/N=C1/SCC(c2cc(C)n(Cc3ccco3)c2C)=NN1C 105786031 LMQMTGYPVWVLAT-FMQUCBEESA-N 358.511 4.285 30 40 FIEB N#C[C@@H]1[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(Cl)c1 218621509 QWNZNSFWGKGFRE-HRCADAONSA-N 352.242 4.073 30 40 FIEB Cc1cccc(CSc2nc(N)c(C#N)c(Cc3cccc(F)c3)n2)c1 223677576 XHVIUHCENMUISF-UHFFFAOYSA-N 364.449 4.261 30 40 FIEB C=CCOc1ccccc1/C=C1\SC(=S)N(n2c(C)ccc2C)C1=O 408529756 JFFOPHPYOYQRNR-ATVHPVEESA-N 370.499 4.207 30 40 FIEB Cc1ccccc1C(=O)NC(=S)Nc1sc2c(c1C#N)CC[C@H](C)C2 649615 HCVKEOMJMKJSJH-NSHDSACASA-N 369.515 4.180 30 40 FIEB CC(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)N1C#Cc1ccccc1 5613202 PIMUDSYWRAJVAD-DEOSSOPVSA-N 365.436 4.419 30 40 FIEB C=CCOc1ccc(-c2nn3c(-c4cccc(OC)c4)nnc3s2)cc1 10311670 IUKNQXYPBXMPSP-UHFFFAOYSA-N 364.430 4.093 30 40 FIEB Cc1ccc(C)c(Oc2ccc(CNc3nnc(C)c(C)c3C#N)cn2)c1 52246545 SPULDLKCTVUZTK-UHFFFAOYSA-N 359.433 4.381 30 40 FIEB CCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(N4CCCC4)o3)S2)cc1 59138452 BTXCKRSRRFSSBN-LGMDPLHJSA-N 367.474 4.334 30 40 FIEB N#Cc1c(Cc2cccc3ccccc23)nn(Cc2ccccc2F)c1N 225841182 WCAYQRQAHOVYBQ-UHFFFAOYSA-N 356.404 4.268 30 40 FIEB COc1ccc(C/N=C\c2cc(Br)c(N3CCCC3)o2)cc1 408850304 KYHHZYZGHPWHHP-UNOMPAQXSA-N 363.255 4.270 30 40 FIEB CC[C@H]1S/C(=N/N=C/c2cccs2)N(Cc2ccc(F)cc2)C1=O 4898438 OXASPXZINCQJBR-NUOSEKPUSA-N 361.467 4.131 30 40 FIEB COc1ccc(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 6253625 RJXAIWJPDAXQST-ZDUSSCGKSA-N 354.475 4.324 30 40 FIEB COc1cc(/C=C/C(=O)c2ccc(Br)cc2)cc(OC)c1O 6580222 RAYXXYBSPCTMLJ-FPYGCLRLSA-N 363.207 4.068 30 40 FIEB CN(C)C(=O)COc1ccc(C(=O)/C=C/c2ccc3ccccc3c2)cc1 7712945 OGIBUCKRMUKDJE-RIYZIHGNSA-N 359.425 4.203 30 40 FIEB Cc1ccccc1-n1c(-c2cccc([N+](=O)[O-])c2)cnc1SCC#N 44086832 FMRGNOWXHRPLPL-UHFFFAOYSA-N 350.403 4.372 30 40 FIEB CCn1c(-c2ccc(C)cc2)cs/c1=N\N=C/c1ccc(O)c(OC)c1 100859438 FZGRREYAJLEPSH-UDHDDVGTSA-N 367.474 4.194 30 40 FIEB C#CCOC(=O)c1ccc(OCc2ccc(F)cc2Cl)c(OCC)c1 216822144 YFOFLZQURVFEPN-UHFFFAOYSA-N 362.784 4.247 30 40 FIEB C=CCSc1nnc(NC(=O)[C@H](CC)Oc2ccc(Cl)cc2)s1 225207442 CEQNUHUCBGTYHH-LBPRGKRZSA-N 369.899 4.266 30 40 FIEB Cc1ccc(NC(=S)N/N=C/c2ccc(Br)s2)cc1 671785 ICPIEUVVXTXVFT-OVCLIPMQSA-N 354.298 4.140 30 40 FIEB C[C@@H](C#N)Sc1nnc(COc2ccc(Cl)cc2)n1Cc1ccco1 4986050 QLWJJACOPOJCFU-LBPRGKRZSA-N 374.853 4.156 30 40 FIEB CCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(OC)cc3OC)S2)cc1 5376433 ZLLUWDMQAHJMJW-WQRHYEAKSA-N 368.458 4.158 30 40 FIEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(OCc3cccc(F)c3)cc2)nc1 5590505 PDHIZXZXLXRLGW-SSDVNMTOSA-N 366.352 4.154 30 40 FIEB C=CCNc1nnc(SCc2cc(Br)ccc2OC)s1 7399435 OUHLBZQLLKVRGP-UHFFFAOYSA-N 372.313 4.199 30 40 FIEB N#Cc1cccnc1NCc1cn(-c2ccccc2)nc1-c1ccccc1 12760714 XTENDCMNDJNJLJ-UHFFFAOYSA-N 351.413 4.418 30 40 FIEB O=C1/C(=C/c2ccco2)Oc2c1ccc1c2CN(c2ccc(F)cc2)CO1 13685400 FBGLHAKBABWHPO-GRSHGNNSSA-N 363.344 4.391 30 40 FIEB N#Cc1ccc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 19797723 MSSLFKSANXBOHC-UHFFFAOYSA-N 367.496 4.465 30 40 FIEB Cc1sc(NC(=O)N(C)CCOc2ccccc2Cl)c(C#N)c1C 24572621 PZUZGJAZCYWYRR-UHFFFAOYSA-N 363.870 4.433 30 40 FIEB C#CCOc1cccc([C@H]2CC(O)=Nc3c2ncn3-c2ccccc2F)c1 36352890 KEVOWMOCYLNYNB-MRXNPFEDSA-N 361.376 4.147 30 40 FIEB C=C(C)COc1ccc([C@H]2SCC(O)=Nc3[nH]nc(C)c32)cc1OC 44918385 UVSDZHPEWKQAKW-QGZVFWFLSA-N 359.451 4.106 30 40 FIEB COc1ccc(C(=O)/C=C2/Nc3cc(Cl)c(Cl)cc3NC2=O)cc1 77024256 VMYHYNQPZBGOLP-OVCLIPMQSA-N 363.200 4.133 30 40 FIEB CCOc1cc(/C=C2/COc3ccc(OC)cc3C2=O)cc(Cl)c1OC 96129844 OFGQPMRLMLTZCV-QPEQYQDCSA-N 374.820 4.415 30 40 FIEB CCCCCCOC(=O)C[N+](C)(C)CCO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 100733335 AJKXZFPSOIGUAC-WOIUINJBSA-N 368.582 4.418 30 40 FIEB N=c1[nH]nc(-c2cccc(/N=C/c3ccc(Br)cc3)c2)s1 408718312 RIBLCZUJRJFFOW-GIJQJNRQSA-N 359.252 4.131 30 40 FIEB C#CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1 409051447 ACKDWTGITDXMAL-UYRXBGFRSA-N 363.438 4.244 30 40 FIEB C[C@@H](CNc1oc(/C=C/c2ccccc2)nc1C#N)N1C[C@H](C)C[C@@H](C)C1 1775965256 YHJXCQZSDIISHC-FYGUHAFLSA-N 364.493 4.495 30 40 FIEB CN(C)/C=N/c1ccc(OC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1 1775976566 RVALRYALBRNXJH-CIAFOILYSA-N 369.808 4.436 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(Nc2ccccc2F)C[C@@H]1c1ccccc1 1079781 ZPJLFOUFRGXAEH-UZLBHIALSA-N 353.393 4.057 30 40 FIEB C#CCn1c([C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)nc2ccccc21 4033272 JCIBGSSFUSPPBR-HNNXBMFYSA-N 363.848 4.152 30 40 FIEB C(=N/Nc1nc(Nc2ccccc2)nc(N2CCCCC2)n1)\c1ccccc1 4119099 WDFZCGOQOWFVAX-CJLVFECKSA-N 373.464 4.052 30 40 FIEB Cc1ccc(-c2csc(/C(C#N)=N/Nc3ccc([N+](=O)[O-])cc3)n2)cc1 4523586 MZXIWOPTILIRRP-CJLVFECKSA-N 363.402 4.367 30 40 FIEB COc1cc(/C=C/c2ccc3cccc([N+](=O)[O-])c3n2)ccc1OCC#N 5155789 JZJZDFRLKJRKND-VMPITWQZSA-N 361.357 4.224 30 40 FIEB aggregator C=CCO[C@H]1Oc2ccc(Cl)cc2C(=O)/C1=C/Nc1ccc(O)cc1 6692257 SGGNYSSDMJJHAO-QMDZLVRISA-N 357.793 4.145 30 40 FIEB C/C(=N\Nc1ccnc2cc(Cl)ccc12)c1ccc2c(c1)OCCO2 7778262 GVEVGVADMLPVHU-WSDLNYQXSA-N 353.809 4.496 30 40 FIEB C[C@@H](c1cc2ccccc2o1)N(C)CC(=O)N(CCC#N)c1ccccc1 36396312 VHDVSVWGAABSPJ-KRWDZBQOSA-N 361.445 4.372 30 40 FIEB CCCCCCCCCCCCOC(=O)N[C@]1(C)CCS(=O)(=O)C1 59568674 OMGBYUSWXMKRCJ-GOSISDBHSA-N 361.548 4.211 30 40 FIEB N#Cc1ccc(NC(=O)N2CC(OCc3cccc4ccccc34)C2)cc1 79044989 KBAJDHCVZYBDBM-UHFFFAOYSA-N 357.413 4.144 30 40 FIEB CC1=C(C2=C(C)C(=O)C(=O)c3cc(C)ccc32)c2ccc(C)cc2C(=O)C1=O 1647614 INZJEVFGUQNHRA-UHFFFAOYSA-N 370.404 4.081 30 40 FIEB COc1cc(/C=N/N=C(c2ccccc2)c2ccccc2)cc(OC)c1O 3275796 PJSQLXOKSVETAS-HZHRSRAPSA-N 360.413 4.281 30 40 FIEB Cc1cc(C)c2nc(SCC(=O)N3CCC(C)CC3)c(C#N)cc2c1 4849142 LSKNAUQMCAGDNH-UHFFFAOYSA-N 353.491 4.074 30 40 FIEB Cn1cc(/C=C2\S/C(=N/c3ccc(F)cc3)NC2=O)c2ccccc21 5489249 OALOBTQWRROUIS-YVLHZVERSA-N 351.406 4.209 30 40 FIEB C=CCNC(=S)/C(=C(/O)c1ccc([C@H](C)CC)cc1)[n+]1ccccc1 6168273 XLWOXJAAEIRMPP-MRXNPFEDSA-O 353.511 4.474 30 40 FIEB Nc1ccccc1/N=C(\c1ccccc1)c1cnn(-c2ccccc2)c1O 13096927 DJMYMEYSAXVRSS-NJNXFGOHSA-N 354.413 4.329 30 40 FIEB COc1cccc(-c2ccc(C#N)c(Sc3ncccc3[N+](=O)[O-])n2)c1 13575715 OMGXRVUPAORNRT-UHFFFAOYSA-N 364.386 4.083 30 40 FIEB N#CCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCCC3 19074752 XDFGIJJLUOIQRH-UHFFFAOYSA-N 359.520 4.458 30 40 FIEB aggregator C=CCn1c(Sc2cc(Cl)nc(C)n2)nnc1-c1cccc(OC)c1 152248667 NVAUMUIVOIPJGX-UHFFFAOYSA-N 373.869 4.043 30 40 FIEB Cn1cc(C2CCN(C(O)=Nc3ncc(C4CCCCC4)s3)CC2)cn1 329289808 AIEIZQBIIJXJHQ-UHFFFAOYSA-N 373.526 4.349 30 40 FIEB COc1cc(/C=N/Nc2nc(C)c(C)s2)ccc1OC(=O)c1ccco1 409062353 SKBJUJQATGAPHF-VXLYETTFSA-N 371.418 4.027 30 40 FIEB COc1cc(/C=N/c2ccc(C)c(Br)c2)ccc1OC(C)=O 705241 IXPHSXJESQPOGD-VXLYETTFSA-N 362.223 4.442 30 40 FIEB CCc1ccc(N(C(C)=O)C2=C(Cl)C(=O)c3ccccc3C2=O)cc1 1717538 AQDDUPIJVYJZOF-UHFFFAOYSA-N 353.805 4.132 30 40 FIEB C=CCSc1nnc(NC(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)s1 2703081 QTXOTKKPKPOXMQ-CBAPKCEASA-N 364.323 4.346 30 40 FIEB N#CC1(NC(=O)CSc2nc(-c3ccccc3)cs2)CCCCC1 3405604 HVZDBPHINDTNEB-UHFFFAOYSA-N 357.504 4.245 30 40 FIEB O=[N+]([O-])c1cc(/C=N/Nc2c(F)c(F)c(F)c(F)c2F)ccc1Cl 5567623 HOFXEXPZXVPOEU-LRNAUUFOSA-N 365.645 4.390 30 40 FIEB CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCCCO3)ccc1OC 13059466 MMMLMEUBCVLVBG-VMPITWQZSA-N 354.402 4.151 30 40 FIEB CCCN1C(=O)/C(=C\c2cccc(OC)c2O)S/C1=N\c1ccccc1 17167471 GHQKAXCGUHYHPR-NBEBQTRCSA-N 368.458 4.415 30 40 FIEB C[C@](C#N)(NC(=O)CNc1ccccc1SCc1ccccc1)C1CC1 22017913 DFWAFPHOQQYALP-OAQYLSRUSA-N 365.502 4.199 30 40 FIEB O=C(CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1ccccc1 100034233 MYWBHGPUNSBHHA-UHFFFAOYSA-N 366.179 4.297 30 40 FIEB N#Cc1ccc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)c(F)c1 1011428 GMTNKHWPNXWXMY-UHFFFAOYSA-N 358.332 4.153 30 40 FIEB CSc1ccc(/C=N\n2c(S)nnc2-c2ccc(Cl)cc2)cc1 2352577 ZYJXRYCSFXRJCR-ZDLGFXPLSA-N 360.895 4.491 30 40 FIEB CCN(CC)c1ccc(/C=N/Nc2nnc3c(n2)[nH]c2ccc(C)cc23)cc1 6078479 JFCFWEKYEGKRPB-LPYMAVHISA-N 373.464 4.107 30 40 FIEB CC(=O)Nc1ccc(/C=C/C(=O)c2sc(-c3cccnc3)nc2C)cc1 6483815 VPCKWAHTVFAAAT-JXMROGBWSA-N 363.442 4.368 30 40 FIEB N#Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)c(F)c1 9141852 JPQFBVDSWQQJME-UHFFFAOYSA-N 359.360 4.202 30 40 FIEB C=CCn1c(=S)[nH]c2cc(C(=O)Nc3ccc(CC)cc3)ccc2c1=O 12527483 ZLWCUMCIHZQZOQ-UHFFFAOYSA-N 365.458 4.060 30 40 FIEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H](C)c1ccc(F)c(F)c1 12868139 OHVAUSXDSAJHQZ-LLVKDONJSA-N 355.344 4.020 30 40 FIEB COc1ccc(/C=C2/S/C(=N\c3cccc(C)c3C)NC2=O)c(OC)c1 33283812 UOANGOJGUCZQAD-VCHYOVAHSA-N 368.458 4.212 30 40 FIEB Cc1cc(C)c2nc(/N=C/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3O)sc2c1 36008912 WGYRKUISXJBVLY-REZTVBANSA-N 372.362 4.186 30 40 FIEB C=CCOc1ccc(C(=O)NCc2cccc(CN3CCCCC3)c2)cc1 224686569 MRAHEZROUXMWIT-UHFFFAOYSA-N 364.489 4.167 30 40 FIEB N#CC(Br)(C#N)[C@@H](CC(=O)c1ccccc1)c1ccccc1 4177032 QPBJCLHLYWLQJX-INIZCTEOSA-N 353.219 4.224 30 40 FIEB C=CCn1c([C@H]2CC(=O)N(c3ccccc3Cl)C2)nc2ccccc21 4385042 VNXSQHPPYNBEQH-AWEZNQCLSA-N 351.837 4.396 30 40 FIEB N#Cc1cc2c(cc1C#N)N(Cc1ccco1)C(=O)c1ccccc1S2 4745311 XKYKNLVWYUNTBU-UHFFFAOYSA-N 357.394 4.335 30 40 FIEB COc1ccc(/C(C)=N\Nc2cc(C)nc(NCc3ccccc3)n2)cc1 4859731 AXXOVDNLWSKFLC-XYGWBWBKSA-N 361.449 4.242 30 40 FIEB COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccco2)C3=O)cc1 5959364 OOTITHICCZEDMR-ODLFYWEKSA-N 362.337 4.124 30 40 FIEB biogenic Cc1ccc(C(=O)c2ccccc2C(=O)OCc2ccccc2C#N)cc1 6887117 HDGQFIUIVZCKNK-UHFFFAOYSA-N 355.393 4.455 30 40 FIEB CCn1c(N/N=C(\C)c2ccc3ccccc3c2O)nc2ccccc2c1=O 7863590 YYSBEIMKPVRHCA-ZVHZXABRSA-N 372.428 4.111 30 40 FIEB Cc1cccc(/N=C2/NC(=O)/C(=C\c3ccc(N4CCCC4)o3)S2)c1C 12462889 GYZHJPFDPVEYIE-SFQUDFHCSA-N 367.474 4.388 30 40 FIEB C=CCN(Cc1cccs1)C(=O)/C=C/c1c(Cl)nc2sccn12 57637119 AXQVOLXFBVTVFK-AATRIKPKSA-N 363.895 4.339 30 40 FIEB O/C(=N/C1[C@H]2CC[C@H]1Cc1ccccc1C2)N1CCCC[C@@H]1c1cc[nH]n1 329710093 NLMGITCYKGOXLF-CMKODMSKSA-N 364.493 4.044 30 40 FIEB COc1ccc(/N=C\c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)cn1 408781457 AMNDCMDSKUYUAM-JAIQZWGSSA-N 350.378 4.157 30 40 FIEB CCCOc1ccc(/C=N/c2ccc(N3CCN(CC)CC3)cc2)c(O)c1 6785193 NQRPKKXSKMJCSU-HAVVHWLPSA-N 367.493 4.074 30 40 FIEB C=CCOc1cccc(NC(=O)C2CCN(Cc3cccc(C)c3)CC2)c1 9063073 VPHJBQFKCUSVOP-UHFFFAOYSA-N 364.489 4.411 30 40 FIEB Cn1c(SCc2cn3ccccc3c2C#N)nnc1-c1ccccc1F 10281203 KDOOGCGJIHMRON-UHFFFAOYSA-N 363.421 4.038 30 40 FIEB N#Cc1ccc(C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)c(F)c1 14258064 MMYADDKMFRTQJG-UHFFFAOYSA-N 358.332 4.153 30 40 FIEB CC1CCN(c2ccc(C(=O)Nc3sccc3C#N)cc2[N+](=O)[O-])CC1 14626714 DNBXZKSKLGVUEG-UHFFFAOYSA-N 370.434 4.017 30 40 FIEB Cc1[nH]/c(=N\N=C\c2cccc(OCc3ccc(F)cc3)c2)sc1C 16696182 TZURRCACNNUQSM-SRZZPIQSSA-N 355.438 4.346 30 40 FIEB Cc1ccc(CN2CCN(/N=C/c3c(O)ccc4ccccc34)CC2)c(C)c1 19791059 LMAVKNXALJLVTD-PCLIKHOPSA-N 373.500 4.314 30 40 FIEB N#Cc1cccc(NC(=O)CSCc2cccc(Br)c2)c1 32794355 ZFOJOFMLUUIHRP-UHFFFAOYSA-N 361.264 4.193 30 40 FIEB CCc1nnc([C@@H]2C(=N)S/C(=C\c3ccc(OC(C)C)cc3)C2=O)s1 137192895 SDBQEXZLGRPNQL-LIJALFLSSA-N 373.503 4.306 30 40 FIEB CC(=O)[C@H]1[C@H](c2ccc(Cl)cc2)C(C#N)(C#N)[C@H]2C=Cc3ccccc3N12 1055151 CWLFGOPSWCIDPP-HKBOAZHASA-N 373.843 4.330 30 40 FIEB CN(C)N1C(=O)C[C@H](c2ccc(C(C)(C)C)cc2)C2=C1CC(C)(C)CC2=O 1429998 FPBPENHSQKDPRT-QGZVFWFLSA-N 368.521 4.420 30 40 FIEB C[C@H]1CCc2c(sc(NC(=O)CN3CCCc4ccccc43)c2C#N)C1 2627500 QNRDNDJZNDCAKW-AWEZNQCLSA-N 365.502 4.136 30 40 FIEB N#CCSc1nc2ccccc2c(=O)n1-c1ccccc1C(F)(F)F 2645439 BOASSHXQPGWDQW-UHFFFAOYSA-N 361.348 4.020 30 40 FIEB C[C@H]1Cc2ccccc2N1C(=O)CO/N=C/c1ccc(Cl)cc1Cl 3353764 FWBQIPQULRNIMD-SQWLXVSWSA-N 363.244 4.322 30 40 FIEB O=C(/C=C/c1ccc(Br)s1)c1ccc2c(c1)OCCO2 5129794 DQXXEKSSQRNMST-DUXPYHPUSA-N 351.221 4.178 30 40 FIEB Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C\c2ccc3c(c2)OCO3)S1 8277618 YGWXAOZGHNJXJG-LZYBPNLTSA-N 372.833 4.269 30 40 FIEB C=CCN1C(=S)N(c2ccc(OCC)cc2)C(=O)[C@H]1c1ccc(C)cc1 28405608 KEDSDNDLFWLAQL-LJQANCHMSA-N 366.486 4.255 30 40 FIEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1cccs1)Nc1nonc1N2 40267180 GBXYZFBNVDHXJQ-YVEFUNNKSA-N 364.430 4.111 30 40 FIEB Cc1ccccc1/N=C1\NC(=O)/C(=C/c2ccc(N3CCCC3)o2)S1 59138436 XNXMHWJMMRAATL-VBKFSLOCSA-N 353.447 4.080 30 40 FIEB CCCCOC(=O)c1ccc(/N=C\c2ccc(N3CCOCC3)cc2)cc1 100164590 BXXXXBNLUZFNPR-QJOMJCCJSA-N 366.461 4.231 30 40 FIEB O=C1NC(=Nc2cccc(Cl)c2)S/C1=C/c1cccc([N+](=O)[O-])c1 408749102 LJKOOEAEQGXAIY-RIYZIHGNSA-N 359.794 4.140 30 40 FIEB COc1cc(/C=N/c2oc(C)c(C)c2C#N)cc(Br)c1OC 408919436 XWSAZRDFHWDXDN-UFWORHAWSA-N 363.211 4.298 30 40 FIEB N#Cc1cc(NC(=O)Cc2csc(-c3cccnc3)n2)ccc1C1CC1 1133088539 PWJAUUKBBZNMSM-UHFFFAOYSA-N 360.442 4.135 30 40 FIEB C=C(C)CN1C(=O)[C@@](O)(CC(=O)c2ccc(C(C)C)cc2)c2ccccc21 1320637 QJTDRYWXCAGXFP-HSZRJFAPSA-N 363.457 4.193 30 40 FIEB N#Cc1cnn2c(C(F)(F)F)cc(-c3ccc(Br)cc3)nc12 2747948 KNOIBRMTKNZEHB-UHFFFAOYSA-N 367.128 4.049 30 40 FIEB CCC[C@H]1S/C(=N/N=C/c2ccco2)N(Cc2ccccc2C)C1=O 4952051 BUDBDFURVCPBJC-NSJLDRRZSA-N 355.463 4.222 30 40 FIEB C#Cc1cccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1 12541897 MMIDDVUDSJISRS-UHFFFAOYSA-N 359.756 4.141 30 40 FIEB COc1c(/C=C/C(=O)c2ccc(O)c(O)c2)ccc(O)c1CC=C(C)C 14762506 RDYZHQQZLIBKBP-WEVVVXLNSA-N 354.402 4.217 30 40 FIEB endogenous,in-man Cc1ccc(C(=O)/C=C/c2csc(-c3ccccn3)n2)cc1[N+](=O)[O-] 40139577 SKASWMRTRANTPK-BQYQJAHWSA-N 351.387 4.318 30 40 FIEB CC/N=C1/S/C(=C/c2ccc(N3CCCCC3)cc2C)C(=O)N1CC 408931323 JZTSXJOKWJVJCN-SXFBWKAHSA-N 357.523 4.297 30 40 FIEB CCOC(=O)c1c(/N=C/c2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 1228706 HSALOSWBFWRGFT-YBFXNURJSA-N 358.419 4.462 30 40 FIEB Cc1ccc(/N=C/c2c(O)c([N+](=O)[O-])cc3oc4c(c23)CCCC4)nc1 2266754 LEQFLANKDUCJLW-UFFVCSGVSA-N 351.362 4.379 30 40 FIEB CC(C)CN(C(=O)COc1ccccc1C#N)c1nc2ccccc2s1 2644913 MLUUWIMROHZXQX-UHFFFAOYSA-N 365.458 4.236 30 40 FIEB CCOC(=O)c1c(/N=C/c2cc(OC)ccc2O)sc2c1CCCC2 4825237 GPESQMOSIUZNDR-RGVLZGJSSA-N 359.447 4.268 30 40 FIEB Cc1ccccc1[C@H]1C2=C(C[C@@H](c3ccccc3)CC2=O)Nc2ncnn21 5271392 RFAGPWSEAWJPGS-IERDGZPVSA-N 356.429 4.002 30 40 FIEB N#Cc1cccc(NC(=O)CCc2ncc(-c3c(F)cccc3F)o2)c1 8735260 AWWNAAXBVVAELX-UHFFFAOYSA-N 353.328 4.063 30 40 FIEB N#CCc1ccc(NC(=O)CSc2nc(-c3ccc(F)cc3)c[nH]2)cc1 8744727 XTDCUIFAICMTOK-UHFFFAOYSA-N 366.421 4.013 30 40 FIEB COc1ccc(OC)c(NC(=S)N/N=C\c2cccc3ccccc23)c1 33488814 IKHYLZIWLCMACL-BKUYFWCQSA-N 365.458 4.178 30 40 FIEB CSc1nncn1/N=C/c1ccc(COc2c(C)cccc2Cl)o1 36611442 VULWOXCRJHZGDQ-UFWORHAWSA-N 362.842 4.016 30 40 FIEB Cc1ccc(F)cc1NC(=O)/C=N/OCc1ccccc1C(F)(F)F 58500167 WBYPYUPXKITHHB-LSFURLLWSA-N 354.303 4.294 30 40 FIEB CCCCCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc(OCC)c1 100574528 XTTQENDSAZIQJG-IBGZPJMESA-N 374.481 4.227 30 40 FIEB CC(C)c1ccc(/C=N/c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 672374 JJKAQNSHYDDEPN-RCCKNPSSSA-N 356.491 4.345 30 40 FIEB C=CCN/C(S)=N/N=C\c1ccc(OCc2ccc(Cl)cc2)cc1 5009696 SFEOAMIQZXHREW-MTJSOVHGSA-N 359.882 4.314 30 40 FIEB C=CCOc1ccc(NC(=O)COc2ccc(Br)cc2)cc1 8104353 MLBNHLRNPNVEAO-UHFFFAOYSA-N 362.223 4.031 30 40 FIEB CSc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]nc(O)c32)cc1 12347477 SKUAUNZPXOONFX-CQSZACIVSA-N 355.463 4.038 30 40 FIEB O=[N+]([O-])c1ccc(N/N=C(\c2ccc(O)cc2)c2ccc(F)cc2)cc1 16400122 QCZYRMZPBHBHJJ-QOCHGBHMSA-N 351.337 4.304 30 40 FIEB C[C@H]1CCCN(CN2C(=O)/C(=N\c3ccc(Cl)cc3)c3ccccc32)C1 16609073 JSUKZRDGPINOTD-DCBSDEPNSA-N 367.880 4.497 30 40 FIEB N#Cc1ccc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cc1 32901639 OIFLWHOATWBPRM-UHFFFAOYSA-N 358.357 4.462 30 40 FIEB COC(=O)c1ccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 83895734 WQIDANQSMYZEBR-ZDUSSCGKSA-N 370.817 4.226 30 40 FIEB CC1=NN(Cc2ccccc2)C(=O)/C1=N/Nc1ccc(Cl)c(Cl)c1 102032997 HVIRHWUVSFQBTI-LTGZKZEYSA-N 361.232 4.180 30 40 FIEB Cc1nc(C(=O)Nc2cccc(C#N)c2)nn1-c1c(Cl)cccc1Cl 102907901 YXXNUIGLOLNJDA-UHFFFAOYSA-N 372.215 4.007 30 40 FIEB CCOC(=O)Cn1c(C)c(/C=C2\Cc3ccccc3C2=O)c2ccccc21 409368254 VWMACKSOYNKPGQ-GHRIWEEISA-N 359.425 4.335 30 40 FIEB Cc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CCCC3)c(C)c1 1267220 UNHZAFXDDQNKOD-UHFFFAOYSA-N 369.515 4.242 30 40 FIEB COc1ccccc1/C=N/NC(=S)Nc1ccc(Cl)cc1Cl 2320429 AAHLANPIQYFARI-GIJQJNRQSA-N 354.262 4.323 30 40 FIEB CCC[C@@H]1S/C(=N/N=C/c2ccccc2)N(Cc2ccccc2)C1=O 4899231 GSWGTCMMIARSJA-FOWJPOPOSA-N 351.475 4.321 30 40 FIEB Oc1ccc(/C=N/Nc2ncnc3scc(-c4ccccc4)c23)c(O)c1 5576083 WVHOCPQMMOJJIA-LSFURLLWSA-N 362.414 4.216 30 40 FIEB CN(C)/C(=N\N=C(\c1ccc(Cl)cc1)N(C)C)c1ccc(Cl)cc1 17105955 YSBNYEKPRGJWCH-SVJWQLCWSA-N 363.292 4.225 30 40 FIEB COc1ccccc1CN/N=C/c1cccc(OCc2ccccc2C#N)c1 20762919 GOYRXWPGUMQREE-MFKUBSTISA-N 371.440 4.270 30 40 FIEB C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc(OC)c1O 57788855 ZVRSKIRLPGKKOH-VQHVLOKHSA-N 354.402 4.043 30 40 FIEB CCOc1ccc(/N=C2/S/C(=C\c3ccc(O)cc3)C(=O)N2CC)cc1 100259560 VPCBAEDKRYELGN-RORWIDQYSA-N 368.458 4.415 30 40 FIEB Cc1ccc(/N=C/c2c(NCc3ccco3)nc3c(C)cccn3c2=O)cc1 100815173 AZGWDGMBQMRETN-OEAKJJBVSA-N 372.428 4.267 30 40 FIEB N#Cc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccccc1[N+](=O)[O-])[C@H]1CC=C[C@@H]21 408751960 ATTTVIAEHROWKW-BIENJYKASA-N 362.345 4.201 30 40 FIEB COc1ccc(/C=C2\SC(=Nc3cc(C)ccc3OC)NC2=O)cc1C 408864113 SZLQWMSMCVVUQM-WQRHYEAKSA-N 368.458 4.212 30 40 FIEB Cc1ccc(C(=O)C[C@H](C(=O)O)c2cn(CCC#N)c3ccccc23)cc1 3644714 RXWXVZSTVVTZKV-SFHVURJKSA-N 360.413 4.305 30 40 FIEB Cc1ccc2cc(C#N)c(SCC(=O)Nc3cccc(F)c3)nc2c1 4849001 DUVNBRPZZWNVIX-UHFFFAOYSA-N 351.406 4.285 30 40 FIEB C=C(C)COc1cccc(C(=O)N(C)Cc2nc(-c3cccs3)no2)c1 28189069 MNUYWABSLGRUET-UHFFFAOYSA-N 369.446 4.025 30 40 FIEB N#Cc1ccc(N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c(F)c1 78880183 AWKVEPZNQQCBLT-HNNXBMFYSA-N 366.371 4.270 30 40 FIEB O=C1C[C@@H](c2ccc(C(F)(F)F)cc2)C2=C(O1)C(=O)c1ccccc1C2=O 100207521 KZRPOIQLZXEILQ-AWEZNQCLSA-N 372.298 4.069 30 40 FIEB Cc1ccc2c(c1)/C(=N/Nc1cccc(Cl)c1C)C(=O)N2C1CSC1 223721168 CIHURMHUEVPWAC-PYCFMQQDSA-N 371.893 4.235 30 40 FIEB Cc1ccccc1CSCCNC(=S)Nc1ccc(CC#N)cc1 225360908 HSOYUQYLYHRVBC-UHFFFAOYSA-N 355.532 4.281 30 40 FIEB S=C(N/N=C/c1ccc2c(c1)OCO2)Nc1ccc(Cl)cc1Cl 2319307 UUXUQSRFRKJBGU-CNHKJKLMSA-N 368.245 4.043 30 40 FIEB CCN(CC)c1ccc(/N=C2/NC(=O)/C(=C\c3ccc(C)o3)S2)cc1 5376701 ZUBFKYCDANURMO-SFQUDFHCSA-N 355.463 4.326 30 40 FIEB COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)Nc1ccc(CC#N)cc1 9335790 RXYUKOFVWCFAJH-CYBMUJFWSA-N 357.841 4.162 30 40 FIEB C=CCn1c(SCc2cc(C)no2)nc2scc(C3CC3)c2c1=O 14196419 VAKSGPGFFAIVSR-UHFFFAOYSA-N 359.476 4.110 30 40 FIEB CCOC(=O)C1=C(CC)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1F 22001642 NYHZUHVMPGLOBH-SFHVURJKSA-N 371.452 4.383 30 40 FIEB N#Cc1ccc(Cc2cnc(NC(=O)C3(c4ccccc4)CC3)s2)cc1 24840362 PCVCHLCOFMTHCA-UHFFFAOYSA-N 359.454 4.276 30 40 FIEB N#Cc1nc(-c2ccccc2)oc1N1CCN(c2cccc(Cl)c2)CC1 27019389 JAZZDOVHGBPQNE-UHFFFAOYSA-N 364.836 4.193 30 40 FIEB Cc1ccc(/C=C/C(=O)c2ccccc2NS(=O)(=O)c2ccccc2)o1 60101653 STVKOWJWIDMXRQ-BUHFOSPRSA-N 367.426 4.285 30 40 FIEB CC(=O)c1ccc(C#N)cc1N1CCCN(Cc2ccc(Cl)cc2)CC1 95469181 ODCYMOJVGYNJEB-UHFFFAOYSA-N 367.880 4.127 30 40 FIEB C=CCOc1cccc(NC(=S)N[C@@H](C)COc2ccccc2C)c1 225638130 CFLIIIOWJOHAGZ-INIZCTEOSA-N 356.491 4.314 30 40 FIEB C=CCc1cc(/C=N\c2ccccc2Cl)cc(OC)c1OCC(=O)O 408842607 BFGCYDXGCUDCNF-NHDPSOOVSA-N 359.809 4.291 30 40 FIEB CCOc1ccc(/C=C2\SC(=Nc3cc(C)ccc3OC)NC2=O)cc1 408860564 YNZHYPMJNOQPLS-PDGQHHTCSA-N 368.458 4.294 30 40 FIEB CCOc1cccc(/N=C\c2ccc(O)c(I)c2)c1 408905132 UDDSJIYYEPLBHJ-YVLHZVERSA-N 367.186 4.146 30 40 FIEB CCN1C2=C(C(=O)CCC2)C(c2ccc(O)c(Cl)c2)C2=C1CCCC2=O 780241 RXZLEGCHWRAPCT-UHFFFAOYSA-N 371.864 4.479 30 40 FIEB C[C@@H]1CN(C)[C@H](C)C[C@@]1(CCN(CC#N)Cc1ccco1)c1ccccc1 4474784 KQLMCHVACXZLRA-TXTKFYIRSA-N 365.521 4.293 30 40 FIEB COc1cccc(/C=C2/S/C(=N\c3ccc(C)c(C)c3)N(C)C2=O)c1O 4664372 HOWMOEFKOQVMGO-OUYOUGTCSA-N 368.458 4.251 30 40 FIEB O=C(O)COc1cccc(C(=O)/C=C/c2c(Cl)cccc2Cl)c1 8322907 IVLXPCXHUCTSAE-BQYQJAHWSA-N 351.185 4.353 30 40 FIEB Cc1cccc(/N=C2/NC(=O)[C@H](Cc3cccc(Cl)c3Cl)S2)n1 13582915 SQLORJPRXIBJMQ-LBPRGKRZSA-N 366.273 4.159 30 40 FIEB CCOC(=O)[C@H](C#N)[C@@H](c1ccco1)[C@H]1C(=S)Sc2ccccc21 16682118 DFQWBJXAXWCZQR-KCXAZCMYSA-N 357.456 4.283 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(F)c2)C[C@H]1c1cccc(OC)c1 97104964 FIEASBBHPYPMEO-FPOVZHCZSA-N 368.404 4.154 30 40 FIEB CC1(C)CC(=O)C([C@H](c2ccc(Cl)cc2)[C@@H](C#N)C(N)=S)=C(O)C1 1087480 RGLKMAXBVHBMOU-IUODEOHRSA-N 362.882 4.051 30 40 FIEB CC(=O)/C(=C/n1c(=S)[nH]c2ccccc21)C(=O)Nc1ccccc1C 1636490 JREIFCCJYVQCDF-KAMYIIQDSA-N 351.431 4.076 30 40 FIEB O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1cccs1)c1cccs1 2601158 HKHXNMGLXSNQJA-LBPRGKRZSA-N 374.468 4.049 30 40 FIEB COc1ccc(/C=N/n2cnn(Cc3ccccc3Cl)c2=S)cc1 3196717 UAZWHAJIINOVKI-VXLYETTFSA-N 358.854 4.007 30 40 FIEB N#C/C(=N\Nc1ccc(F)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 5022045 PMWPAEDBCNEJAD-PXLXIMEGSA-N 367.365 4.197 30 40 FIEB N#Cc1ccccc1OCC(=O)Nc1nc(-c2c[nH]c3ccccc23)cs1 6602090 RCIYNHWJHWKGLV-UHFFFAOYSA-N 374.425 4.181 30 40 FIEB CCOc1cc(/C=C2/S/C(=N/c3ccccc3)N(C)C2=O)ccc1OC 12630322 JXGDXAIMFOLLLC-KXNKKEQVSA-N 368.458 4.328 30 40 FIEB Cc1ccc(-c2c[n+](CC(=O)c3ccccc3Cl)c3n2CCC3)cc1 17249637 NXLAWPCIXXQZKG-UHFFFAOYSA-N 351.857 4.234 30 40 FIEB CC(C)(C)c1nc(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cs1 75298191 KKGSVZGBHZCKEX-RDJZCZTQSA-N 353.491 4.353 30 40 FIEB CN(C)CCC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118929824 OSDVWUHVWYZUJP-STPXIVCJSA-N 371.565 4.367 30 40 FIEB C=CCN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(Cl)cc1 224708374 OSHLRFWHTSKVGF-UHFFFAOYSA-N 372.273 4.383 30 40 FIEB N#Cc1c(OCc2cccc(Cl)c2)nn(Cc2ccc(Cl)cc2)c1N 225840498 KKBFKDDKDWUZFR-UHFFFAOYSA-N 373.243 4.271 30 40 FIEB C=CCNC(=O)C1(Cc2cccc(-c3cccc(OC)c3)c2)CCOCC1 257274692 NMEBCRPHJMVMBK-UHFFFAOYSA-N 365.473 4.004 30 40 FIEB S=C(NCc1ccccc1)N/N=C/c1ccc(Sc2ccccc2)o1 980697 KAFYRBQKOZKKRY-KGENOOAVSA-N 367.499 4.429 30 40 FIEB CCCCCCOC(=O)C[N+](C)(C)CCO[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C 2291672 AJKXZFPSOIGUAC-KNKQGSTJSA-N 368.582 4.418 30 40 FIEB COc1ccc(Br)c(/C=N/c2cc(Cl)ccc2O)c1O 3141412 KNMKEKOPHXHWEE-REZTVBANSA-N 356.603 4.273 30 40 FIEB CC1=CC(=O)C(C(C)C)=C/C1=N/OC(=O)c1cccc(Br)c1 4320952 FCCGVAYVIDWBFX-CYVLTUHYSA-N 362.223 4.073 30 40 FIEB CCCCC(=O)Nc1cccc(/N=C/c2cc([N+](=O)[O-])cc(OC)c2O)c1 6396814 FUWSZSMBKCYZGL-UDWIEESQSA-N 371.393 4.188 30 40 FIEB CCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O 6463705 HFSCHEJMZMIRDX-SKVMLSBPSA-N 364.397 4.189 30 40 FIEB CCCOc1ccc(/C=C2\SC(=N)[C@@H](c3nnc(CC)s3)C2=O)cc1 33474956 ZQQSIQDECSYIGY-SMTGANQKSA-N 373.503 4.307 30 40 FIEB Cc1ccc2c(c1)/C(=N/O)C(=O)N2Cc1ccc(OCCC(C)C)cc1 39853920 RIXATGVATSKWFC-XDOYNYLZSA-N 352.434 4.145 30 40 FIEB Cc1ccccc1OC[C@H](O)CON=C1c2ccccc2-c2ccccc21 95117234 CVWNSJHSEAALEM-KRWDZBQOSA-N 359.425 4.184 30 40 FIEB O=[N+]([O-])c1cc(Br)c(O)c(/C=N\c2ccccc2Cl)c1 113858341 QFUXUIYHAPJIGT-APSNUPSMSA-N 355.575 4.467 30 40 FIEB C=CCOc1ccc(/C=C2\SC(=N)[C@H](c3nccs3)C2=O)cc1OC 137782077 RZMDJGRRNVTMRT-PAOGCMMFSA-N 372.471 4.134 30 40 FIEB CC1=CC(C)(C)N(C)c2cc(C)c(/C=N/Nc3ncccc3[N+](=O)[O-])cc21 208459264 MXKLNGJUWSINQM-WSDLNYQXSA-N 365.437 4.376 30 40 FIEB COc1cc2c(cc1OC)-n1cccc1[C@@H](c1ccc(C#N)cc1)CC2=O 225380625 QVWKPKGONKMPTI-MRXNPFEDSA-N 358.397 4.084 30 40 FIEB C#CCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3F)cc2)C1=O 409050107 YWDHSKMPDSPUGN-LDADJPATSA-N 367.401 4.074 30 40 FIEB C=C(CSc1ccc(C(=O)O)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 1574126 OALCCOMETLGFCO-UHFFFAOYSA-N 360.347 4.007 30 40 FIEB COc1ccc(/N=C/c2ccc(Br)c([N+](=O)[O-])c2)cc1OC 3112969 TVIMCKHKXSDWPJ-RQZCQDPDSA-N 365.183 4.125 30 40 FIEB Cc1cc(C)c2nc3c(C#N)cc4cc5ccccc5nc4n3c(=O)c2c1 3182725 RJBNQLCVGRCDLO-UHFFFAOYSA-N 350.381 4.038 30 40 FIEB N#Cc1ccc(NC(=O)CNc2ccccc2N2CCCCC2)cc1Cl 7973173 SJCUIVUVKDBYSP-UHFFFAOYSA-N 368.868 4.253 30 40 FIEB CCCCCCCCCCS(=O)(=O)N/N=C/c1ccccc1OC 8829974 KSSFVKVJELQTPK-KNTRCKAVSA-N 354.516 4.089 30 40 FIEB CCNc1c(N/C(O)=N/c2ccc(F)cc2F)c(=O)oc2ccccc12 28048722 SWMYZKQPCOWLLU-UHFFFAOYSA-N 359.332 4.161 30 40 FIEB C[C@]12CC[C@@](O)(C#CCl)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@H](O)CC[C@H]12 253592072 WEJOBCNWKXEZFL-LNILZBNJSA-N 350.930 4.321 30 40 FIEB COc1cc(/C=N/c2cccnc2)ccc1OCc1ccc(C(=O)O)cc1 408963866 AMUJSLLCEHWGBY-FSJBWODESA-N 362.385 4.118 30 40 FIEB COc1cc(/C=N/NC(=S)Nc2ccc(Cl)cc2Cl)ccc1O 2320208 PEYWVCOTQONKDP-QGMBQPNBSA-N 370.261 4.028 30 40 FIEB Cc1ccc(C)c(NC(=S)N/N=C/c2ccc(Br)cc2)c1 3245223 TWXMMLUQBNSVRE-VCHYOVAHSA-N 362.296 4.386 30 40 FIEB CCO[C@H]1Oc2ccc(C)cc2C(=O)/C1=C/Nc1ccc(C(C)=O)cc1 6387489 WJWXFZWSKCLTRI-CNEDASOKSA-N 351.402 4.131 30 40 FIEB CC(C)c1ccc(/C=C/C(=O)c2ccc(OCC(=O)N(C)C)cc2)cc1 7712890 ANNHCBDCDDQMKL-VGOFMYFVSA-N 351.446 4.173 30 40 FIEB CC(C)OCCCn1c(N/N=C2\CCCC[C@H]2C)nc2ccccc2c1=O 7864249 KKWCQLXOZYDMOE-PJWCADQQSA-N 370.497 4.190 30 40 FIEB N#Cc1cc(C(=O)c2ccc(Cl)cc2)n2c(=O)c3ccccc3sc12 12907668 OECKWTJPJIGXRG-UHFFFAOYSA-N 364.813 4.270 30 40 FIEB N#Cc1c(-c2ccccc2)[nH]c(SCc2ccc(Cl)cc2)nc1=O 13111431 RCKYQSFSKNIZKH-UHFFFAOYSA-N 353.834 4.254 30 40 FIEB CC(C)(C)c1ccc(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)cc1 14183197 JBTJYODSYKLNDR-NRFANRHFSA-N 361.489 4.007 30 40 FIEB C=CCn1c(=O)n2nc(-c3ccccc3)nc2c2c(CC(C)C)csc21 32096682 RAPUFAWWPLWZNQ-UHFFFAOYSA-N 364.474 4.157 30 40 FIEB Cc1cc(NC(=O)C[C@@H](C)c2ccc(C(F)(F)F)cc2)n(CCC#N)n1 58227283 GNJAWQWHTACJHU-GFCCVEGCSA-N 364.371 4.256 30 40 FIEB C[C@@H]1CCCN(c2cc(/C(O)=N/[C@H]3CCOc4ccccc43)ccn2)C1 329647652 JGJYIBPGDFZWAM-QAPCUYQASA-N 351.450 4.146 30 40 FIEB COc1ccc(-n2c(C)cc(/C=N/Nc3nc4ccccc4[nH]3)c2C)cc1 408591600 VAXAXIGFOCNDIF-LPYMAVHISA-N 359.433 4.425 30 40 FIEB O=C(O)c1ccc(-n2cccc2/C=N/c2cc(C(=O)O)ccc2Cl)cc1 409247978 JDAYURMQBUTVEO-SRZZPIQSSA-N 368.776 4.278 30 40 FIEB CC1(C)OB(C2=CC[C@@](CF)(C(=O)OCc3ccccc3)CC2)OC1(C)C 710676968 VTMWAQPRYDEGRP-OAQYLSRUSA-N 374.261 4.427 30 40 FIEB Cc1oc(/N=C/c2ccccc2I)c(C#N)c1C 1098514 WZRSCQMNQXYLMW-CAOOACKPSA-N 350.159 4.123 30 40 FIEB Cc1ccc(/C=N/N=C2/SCC(=O)N2Cc2ccccc2C)c(C)c1 4909473 ASAHFAYNLAXDSM-KYPJYIKXSA-N 351.475 4.077 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@H]1c1ccccc1C 4918286 SHSVYLNCWQMSEY-UNMCSNQZSA-N 364.441 4.323 30 40 FIEB COc1cc(/C=N/Nc2ccccc2)ccc1OC(=O)c1cccs1 4919425 FLHXICQAXOPOAX-DEDYPNTBSA-N 352.415 4.422 30 40 FIEB Cc1nc2n(n1)[C@H](c1ccccc1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 5347533 ORZJITOAMQSLNL-DYESRHJHSA-N 356.429 4.002 30 40 FIEB C=CCc1cc(OC)cc(CN2CCC(C(=O)c3ccccc3)CC2)c1O 14230827 ZGDABCFLUQGLTQ-UHFFFAOYSA-N 365.473 4.224 30 40 FIEB COc1ccc([C@@H]2CCCN2C/C(O)=N/c2nnc(C(C)(C)C)s2)cc1 19715452 BJWVKAWCKOLCQL-HNNXBMFYSA-N 374.510 4.269 30 40 FIEB C#CCOc1cc([C@H]2CC(O)=Nc3c2ncn3-c2ccccc2)ccc1OC 36353536 ULBGBIMLTRJMNR-QGZVFWFLSA-N 373.412 4.017 30 40 FIEB C=C(Br)CNC(=O)c1ccc2noc(-c3ccccc3)c2c1 58418707 CUWFIRWPKVTMMA-UHFFFAOYSA-N 357.207 4.133 30 40 FIEB O=C(Oc1ccc(/C=N/Nc2nc3ccccc3[nH]2)cc1)c1ccccc1 59417077 LQJOCEZNEZVQPH-HYARGMPZSA-N 356.385 4.228 30 40 FIEB COC(=O)c1ccc(/N=C/c2cccn2-c2ccc(N(C)C)cc2)c(C)c1 408959714 DPWRPINFLJKDJJ-HZHRSRAPSA-N 361.445 4.389 30 40 FIEB CC[C@@H]1S/C(=N/N=C/c2cccs2)N(Cc2ccc(F)cc2)C1=O 4898439 OXASPXZINCQJBR-PPJHHJNZSA-N 361.467 4.131 30 40 FIEB C=CCn1cnc2sc(C)c(-c3ccc(Br)cc3)c2c1=O 5464595 UROFMKFHUPUMEE-UHFFFAOYSA-N 361.264 4.382 30 40 FIEB C/N=c1\scc(-c2cc(OC)ccc2OC)n1/N=C(\C)c1cccs1 5787520 KJDYCWKNAOSBIT-YGSHZMKTSA-N 373.503 4.098 30 40 FIEB CCN(CC)S(=O)(=O)c1ccc(/N=C/c2ccc(SC)cc2)cc1 5794754 GHGMIQUNEZRMLU-XMHGGMMESA-N 362.520 4.190 30 40 FIEB CCOc1cc(/C=C/C(=O)c2cccnc2)cc(Br)c1OC 7739540 QASANRVISIQGLX-VOTSOKGWSA-N 362.223 4.148 30 40 FIEB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=N/Nc1ccc(C(=O)O)cc1 7890720 QJBMYETYWUVSEW-UFFVCSGVSA-N 372.787 4.117 30 40 FIEB C/N=C(\S)N/N=C/c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C 8685060 HAUKRVZDWYTRIG-UFWORHAWSA-N 355.294 4.240 30 40 FIEB N#Cc1c(-c2cccc(Br)c2)cc(-c2cccs2)[nH]c1=O 13920110 NEIOHLNVFJIBGY-UHFFFAOYSA-N 357.232 4.405 30 40 FIEB Sc1nnc(-c2cccs2)n1/N=C/c1ccc(Cl)c(Cl)c1 28379935 QDOIFAPZZMLXGX-FRKPEAEDSA-N 355.275 4.484 30 40 FIEB COC(=O)C1=C(Nc2ccccc2)S/C(=C/c2ccc(Cl)cc2)C1=O 1151892 GCQGLTNAJOCVRX-RVDMUPIBSA-N 371.845 4.494 30 40 FIEB Cc1c(Cl)ccc2sc(NC(=O)COc3ccc(C#N)cc3)nc12 3355833 UZYZGBGTNRXWCB-UHFFFAOYSA-N 357.822 4.147 30 40 FIEB COc1ccc(/C(C)=N/Nc2nc(-c3sc(N)nc3C)cs2)cc1 5587364 RZMXCGFHJGGYMM-AWQFTUOYSA-N 359.480 4.002 30 40 FIEB CC(C)c1ccc([C@H]2C3=C(N=C4SCC(=O)N42)C(=O)c2ccccc23)cc1 5733739 BNNDSMNCPVZHBW-FQEVSTJZSA-N 374.465 4.404 30 40 FIEB O=[N+]([O-])c1cc(NN=C(c2ccccc2)c2ccccc2)cc([N+](=O)[O-])c1 5890918 XQBUFRNCBVEEKJ-UHFFFAOYSA-N 362.345 4.368 30 40 FIEB Cc1ccc([C@@H](NC(=O)COc2ccc(C#N)cc2)c2cccs2)cc1 7739992 IFHUGMDNZCEMBN-OAQYLSRUSA-N 362.454 4.213 30 40 FIEB C=CCn1c(SCc2ccc(C(=O)OC)o2)nnc1C1CCCCC1 7978383 HBAFXNNYAJLMJO-UHFFFAOYSA-N 361.467 4.184 30 40 FIEB C=CCOc1ccc(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1 9063168 OGYANAZWKPHVCF-UHFFFAOYSA-N 364.489 4.411 30 40 FIEB C=CCOc1ccc(C(=O)N2CCCC[C@H]2CCN2CCCCC2)cc1 21170483 JLPDCYAHPVOSES-FQEVSTJZSA-N 356.510 4.122 30 40 FIEB C#CCOc1cccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccccc2F)c1 36352888 KEVOWMOCYLNYNB-INIZCTEOSA-N 361.376 4.147 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccsc2)C[C@@H]1c1ccccc1OCC 69374986 UIHWCIJKKHZSSE-XLIONFOSSA-N 370.470 4.466 30 40 FIEB CCc1cc(C#N)c(NC(=O)[C@@H](C)Sc2ccc(NC(C)=O)cc2)s1 89282779 BRMLXBGJMBOHLF-LLVKDONJSA-N 373.503 4.260 30 40 FIEB CC1(C)[C@@H]2CC[C@]1(C)C(=O)/C2=C\N(O)/C=C1/C(=O)[C@]2(C)CC[C@@H]1C2(C)C 104122131 BLACPVKXBSSOTA-XXDOGBBVSA-N 357.494 4.496 30 40 FIEB CSc1nncn1/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 408809725 HRRZNIXPWLOJDH-LSHDLFTRSA-N 365.437 4.024 30 40 FIEB COc1ccc(-n2cccc2/C=N/c2ccc(N3CCOCC3)cc2)cc1 408856043 HBHIZUKZCJVNRI-HAVVHWLPSA-N 361.445 4.073 30 40 FIEB COc1cc([C@H]2C[C@]2(C#N)c2nc3ccccc3[nH]2)ccc1OC(F)F 1457667 QQSBGNCJOHEWKG-CWTRNNRKSA-N 355.344 4.122 30 40 FIEB COc1ccc(CCC(=O)N2CCCS/C2=N\Cc2ccccc2)cc1 5825204 GEORIVOLVHDGNP-DQRAZIAOSA-N 368.502 4.150 30 40 FIEB CCCC(=O)/N=C(/N=C(\O)CCC)Nc1nc(C)c2cc(C)cc(C)c2n1 6039136 UFHAIWRJVBYFQU-UHFFFAOYSA-N 369.469 4.406 30 40 FIEB Cc1ccc(CN(C)[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)o1 8879962 XFAKKWODEUMIIS-AWEZNQCLSA-N 371.506 4.249 30 40 FIEB C=CCn1c(-c2sc(NC(=O)CCCCC)nc2C)n[nH]c1=S 12938092 XGUCCQDZDYAKOD-UHFFFAOYSA-N 351.501 4.077 30 40 FIEB N#Cc1c(COC(=O)c2csc(-c3ccsc3)n2)cn2ccccc12 14183566 DLPMPKHCTVJORC-UHFFFAOYSA-N 365.439 4.353 30 40 FIEB CCOC(=O)c1sc2nc(C)nc(Oc3ccccc3C#N)c2c1C 15209840 AIBALWMFCWKBDY-UHFFFAOYSA-N 353.403 4.149 30 40 FIEB N#Cc1ccc(NCc2cn(Cc3ccccc3)nc2-c2ccccc2)nc1 22978013 ACHFURNJUFGTIW-UHFFFAOYSA-N 365.440 4.477 30 40 FIEB COc1ccc(OC)c(C(=O)/C=C/Nc2ccc(Br)cc2)c1 51318560 IHCMLDBQBKGIQH-MDZDMXLPSA-N 362.223 4.275 30 40 FIEB CCCNc1ccc(C#N)cc1NC(=O)CC(C)(C)NC(=O)OC(C)(C)C 75092559 PLJUWTDDACWHBU-UHFFFAOYSA-N 374.485 4.012 30 40 FIEB COc1ccccc1C/N=C(/N)SCc1cc(F)cc2cccnc12 83976238 ZZONVIUBGLHNPL-UHFFFAOYSA-N 355.438 4.131 30 40 FIEB CC1(C)COB(c2ccc(OCc3ccccc3)c(C(F)(F)F)c2)OC1 169807971 SDWWFKLGRAACRT-UHFFFAOYSA-N 364.172 4.053 30 40 FIEB Cc1cc(Cl)ccc1N/N=C1\C(=O)Nc2ccc(Br)cc21 223763482 XGLVPEQMKOMPNN-UHFFFAOYSA-N 364.630 4.179 30 40 FIEB C=CC[C@@H]1CN(C(=O)OCc2ccccc2)CCCN1C(=O)OC(C)(C)C 952960828 GHPKDBBJZDTHCY-GOSISDBHSA-N 374.481 4.211 30 40 FIEB C=CCN1C(=S)SC(C)(C)[C@@H]1/[N+]([O-])=C/c1c(F)cccc1Cl 2254867 AEJDBUJPQNVZSP-ATDWHHCWSA-N 358.891 4.033 30 40 FIEB COc1ccc(-c2cnnc(N/N=C/c3ccc(C(C)(C)C)cc3)n2)cc1 4660075 HNVXXFHZZNTUFB-LPYMAVHISA-N 361.449 4.291 30 40 FIEB Cc1sc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)c(C#N)c1-c1ccccc1 6184257 MWRWKYCNJYRWIB-CABCVRRESA-N 368.458 4.425 30 40 FIEB O=C(COc1ccc(C(=O)/C=C/c2cccc(O)c2)cc1)Nc1ccccc1 7700972 PLLBIFXDXWJDCV-NTEUORMPSA-N 373.408 4.306 30 40 FIEB C=CCNC(=O)c1ccccc1NC(=O)CCc1ccc(C(C)(C)C)cc1 10434171 BEPKRHXZRIVBBK-UHFFFAOYSA-N 364.489 4.471 30 40 FIEB O=[N+]([O-])c1ccc(/C(=N\c2cccc3ccccc23)N2CCOCC2)cc1 13151569 FGMGXFJXEJACCS-QURGRASLSA-N 361.401 4.159 30 40 FIEB N#Cc1cccc(NCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 15123924 WZAVEPZFBNYOJX-UHFFFAOYSA-N 353.731 4.281 30 40 FIEB CC(=O)Nc1sc(N/N=C/c2ccccc2)nc1-c1ccc(F)cc1 27020935 XALWLSARCGSCHR-RGVLZGJSSA-N 354.410 4.354 30 40 FIEB C[C@H]1CCCN(Cc2ccc(NC(=O)CCc3ccc(C#N)cc3)cc2)C1 48361863 FRONSYKXYWRHQH-SFHVURJKSA-N 361.489 4.361 30 40 FIEB C=CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224609658 KNCZPSVLTGLJKK-UHFFFAOYSA-N 372.273 4.383 30 40 FIEB O=C(C=NNc1ccccc1)c1ccc(C(=O)C=NNc2ccccc2)cc1 245240841 UDYKGAPTZNMEDF-UHFFFAOYSA-N 370.412 4.248 30 40 FIEB Cc1ccc2c(c1)CC[C@@H](/C(O)=N/Cc1cccc3c1OCCCO3)O2 330015776 ONRHOYKESYLMQW-IBGZPJMESA-N 353.418 4.007 30 40 FIEB Clc1ccccc1/N=C\c1cc(Br)c(N2CCOCC2)o1 408818683 YMHAISQMRKOYDK-ZDLGFXPLSA-N 369.646 4.283 30 40 FIEB Cc1cc(N2CCOCC2)ccc1/C=N/c1ccc(Cl)c([N+](=O)[O-])c1 409071437 RITPRCMWSZWCOD-UDWIEESQSA-N 359.813 4.144 30 40 FIEB CCc1ccc(-n2c(C)cc(/C=N/Nc3ncccc3[N+](=O)[O-])c2C)cc1 409105916 JYKUGIQDGBSJNP-LPYMAVHISA-N 363.421 4.406 30 40 FIEB CCOC(=O)[C@H](C)Sc1nc(-c2ccco2)cc(C(F)(F)F)c1C#N 804077 UXXNENDSEHTONJ-VIFPVBQESA-N 370.352 4.276 30 40 FIEB N#Cc1ccc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)c(F)c1 4487825 YRVPIFPHHCUXDY-UHFFFAOYSA-N 365.389 4.263 30 40 FIEB C/C(=N\OCc1cccc(C(F)(F)F)c1)c1sc2ncnn2c1C 5533977 LNPGNNZGDJIDMU-ZVBGSRNCSA-N 354.357 4.059 30 40 FIEB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)Oc1ccc(C#N)cc1 7980628 DOLFEYADWYOPTK-UHFFFAOYSA-N 355.756 4.064 30 40 FIEB C=CCOc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C)CC)cc1 8040996 KYKCCDULJYJZKJ-OAHLLOKOSA-N 352.434 4.032 30 40 FIEB C=CCNC(=O)c1ccccc1NC(=O)CCSc1ccc(C)cc1 27390809 NRUWDLOVPFAGHV-UHFFFAOYSA-N 354.475 4.032 30 40 FIEB CCOC(=O)/C(=N/Nc1cc(Cl)ccc1Cl)N1C[C@@H](C)C[C@H](C)C1 34848258 JECUNBOHGFSHAO-PEUJWIEJSA-N 372.296 4.260 30 40 FIEB CC1=NN(c2ccccc2)C(=O)[C@H]1[C@@H](c1ccccc1Cl)C(C#N)C#N 85901856 WIJSAXPPEWLGOQ-RTBURBONSA-N 362.820 4.126 30 40 FIEB O=C(NCc1ccco1)c1c(/N=C\c2ccncc2)sc2c1CCCC2 408848176 PZYYJSZTXIKEBN-FMCGGJTJSA-N 365.458 4.296 30 40 FIEB Oc1ccc(/C=N\c2ccc(Cl)cc2O)cc1I 408962010 FLUSVZVFKVKIMY-APSNUPSMSA-N 373.577 4.106 30 40 FIEB CC(C)(C)c1nn(Cc2cccc(F)c2OC(F)F)c(O)c1CCC#N 596260049 GJUHIDMHLSMBGN-UHFFFAOYSA-N 367.371 4.131 30 40 FIEB Cc1ccc(Oc2cccc(C#N)c2C#N)c(-n2nc3ccccc3n2)c1 2377870 SGPNGAZHHQFZNZ-UHFFFAOYSA-N 351.369 4.265 30 40 FIEB C/C(=N\O[C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 6046067 PRXGUYUROHISCM-ZXCVBSDHSA-N 350.340 4.473 30 40 FIEB O=C(/C(Br)=C/c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 6221035 UAFJRYZPJJPJAC-ZROIWOOFSA-N 350.143 4.353 30 40 FIEB N#Cc1ccccc1COc1ccc(/C=C/[N+](=O)[O-])cc1Br 6222397 AQRUMHMMQYZRFM-BQYQJAHWSA-N 359.179 4.147 30 40 FIEB COc1ccc(/C=N/Nc2nc(-c3cccs3)c(NC(C)=O)s2)cc1 8856680 WWEWMLYFRAWJHR-VCHYOVAHSA-N 372.475 4.285 30 40 FIEB C=CCOc1c(CN2CCC(O)(c3cccc(C)c3)CC2)cccc1OC 12344858 HBKXAUPUECIYHT-UHFFFAOYSA-N 367.489 4.052 30 40 FIEB COc1ccc(C(=O)/C(=C(/S)Nc2ccccc2)[n+]2ccccc2)cc1 12620964 BVBKPMNTKYQMNO-UHFFFAOYSA-O 363.462 4.034 30 40 FIEB COc1ccc(-c2ccc(C#N)c(Sc3ncccc3[N+](=O)[O-])n2)cc1 13575665 WOYJICZSMYLYAV-UHFFFAOYSA-N 364.386 4.083 30 40 FIEB CCN(Cc1ccc(C#N)cc1F)Cn1c(=S)n(C)c2ccccc21 32935410 YUOXEMFSGZXRFL-UHFFFAOYSA-N 354.454 4.200 30 40 FIEB Cc1cc2cc(C#N)c(SCC(=O)NCc3cccs3)nc2cc1C 34791573 ISHYJJXPHFVQJS-UHFFFAOYSA-N 367.499 4.193 30 40 FIEB CCN1C(=O)/C(=C\c2ccc(C)cc2)S/C1=N\c1ccc(C(=O)O)cc1 35656758 LKHNPEYNIBVAIP-MSYUKONTSA-N 366.442 4.317 30 40 FIEB N#Cc1c(NC(=O)CNCc2cccc(Cl)c2)sc2c1CCCCC2 58120203 SCVOLQFXXIRLMA-UHFFFAOYSA-N 373.909 4.270 30 40 FIEB Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc(CN2CCOCC2)cc1 96586278 MWIVILUICSFWDU-SRZZPIQSSA-N 365.260 4.282 30 40 FIEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccccc3OCC#N)S2)cc1C 408820007 SNFRUVJDSQOBNV-PDGQHHTCSA-N 363.442 4.097 30 40 FIEB CCOC(=O)c1c(C#N)c(SCc2ccc(F)cc2)nc2c1CCCC2 2240074 SNZHWCRLOKPIPY-UHFFFAOYSA-N 370.449 4.440 30 40 FIEB COc1ccc(-c2nnc(SCC#N)n2C2CCCCC2)cc1OC 3318715 VXRDBKKYVKZHJY-UHFFFAOYSA-N 358.467 4.083 30 40 FIEB Oc1ccc(/C=N/Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)cc1 4189020 YOADXQMWGNLGAQ-RREIPUBJSA-N 352.209 4.413 30 40 FIEB Cc1cc(C)c2nc(SCC(=O)N3CCC[C@@H](C)C3)c(C#N)cc2c1 4849141 UGCWCYXUEYBJIA-CYBMUJFWSA-N 353.491 4.074 30 40 FIEB COc1cc(/C=C2\S/C(=N/c3ccc(C)cc3)NC2=O)cc(Cl)c1O 5531818 VJARRKZORKXJJM-DHDCSXOGSA-N 374.849 4.254 30 40 FIEB Cc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)/N=C5\NCCS5)(C4)C2)C3)cc1 18183006 PMHLOZZEYLYSJY-XBLGPDGASA-N 354.519 4.052 30 40 FIEB CCc1c(-c2ccccc2)nc(N)c(C#N)c1-c1ccc(OC)c(OC)c1 19520999 COOFYBRQZRHKOH-UHFFFAOYSA-N 359.429 4.449 30 40 FIEB Cc1nc(NC(=O)c2ccc(C(F)(F)F)cc2)sc1SCC#N 44789119 KODHHKIYZQSKLH-UHFFFAOYSA-N 357.382 4.338 30 40 FIEB CN(CC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1)C1CCCCC1 58980034 HCTOOUUMRMEUOI-KRWDZBQOSA-N 353.491 4.251 30 40 FIEB COc1ccc(/N=C2/S/C(=C\c3cc(Cl)ccc3O)C(=O)N2C)cc1 97466875 XOFNEIDZUISPHY-NIQTYAIASA-N 374.849 4.288 30 40 FIEB Cc1cc(/C=N/c2ccc(O)c(C(=O)O)c2)c(C)n1-c1ccc(F)cc1 408738355 VUCINHHTUDWYCX-SSDVNMTOSA-N 352.365 4.388 30 40 FIEB CC(C)(C)OC(=O)N[C@](C)(CS)Cc1ccc(Br)cc1 685950604 UXLYCUAVJBIGLV-HNNXBMFYSA-N 360.317 4.205 30 40 FIEB Cc1ccc2c(CN3CCN(c4cc(C#N)ccn4)CC3)c(C)ccc2c1 1652283980 KQAVNIIXDXALFV-UHFFFAOYSA-N 356.473 4.046 30 40 FIEB O=C(NC(Nc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F)c1ccco1 2050077 HNZXSYZOYDRYNO-UHFFFAOYSA-N 370.224 4.082 30 40 FIEB COc1ccc(/C=C2\S/C(=N\c3cc(C)ccc3C)NC2=O)c(OC)c1 5376439 GXHIDGGQHDIHJL-ZDLGFXPLSA-N 368.458 4.212 30 40 FIEB CN1/C(=C\C=N\NC(=S)Nc2ccccc2F)C(C)(C)c2ccccc21 6298438 TUGYDTOTJVHDMR-MYECPZRPSA-N 368.481 4.409 30 40 FIEB CCOc1cc(/C=N/Nc2ccccc2)c(Br)cc1OCC#N 6402483 QRVKRJFZDDSXIO-UDWIEESQSA-N 374.238 4.196 30 40 FIEB CC(C)n1ncc2c(C(=O)Nc3ccc(CC#N)cc3)cc(C3CC3)nc21 8314607 ISZHORZGPKDLTN-UHFFFAOYSA-N 359.433 4.208 30 40 FIEB CCOc1ccc(/N=C2\SCCCN2C(=O)c2c(CC)noc2C)cc1 15934715 AROQIOVVETYVAC-VXPUYCOJSA-N 373.478 4.211 30 40 FIEB O/C(CN1CCCC1)=N\c1ncc(Cc2cccc(C(F)(F)F)c2)s1 49640534 BCDNVFMAKKJCSP-UHFFFAOYSA-N 369.412 4.437 30 40 FIEB C#CCOc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1 65999315 IGIAXSSCFUSQPK-GHRIWEEISA-N 351.452 4.104 30 40 FIEB CCCCCCCCCC(=O)O[C@@H](c1ccccc1)[C@@H](N)C(=O)OCC 70665038 ZCXIBBJMNPJGQG-UXHICEINSA-N 363.498 4.302 30 40 FIEB biogenic C=CCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1ccc(Cl)cc1 101231680 KWLLTUFNXXDMDR-GHNGSUTGSA-N 367.832 4.256 30 40 FIEB O=C1C[N+]2(CCCCCC2)C[C@H](Cn2c3ccccc3c3ccccc32)O1 211070417 DMXWWMIBFGZCMI-SFHVURJKSA-N 363.481 4.111 30 40 FIEB Cc1ccc(-n2nc(C(=O)N[C@@H](C)c3cccc(C#N)c3)c3c2CCC3)cc1 610362029 AMXPVKXWRUMJMA-INIZCTEOSA-N 370.456 4.032 30 40 FIEB N#Cc1ccc(OCC(=O)Nc2nc3c(ccc4ccccc43)s2)cc1 3221370 VYAOFZDJVQSBIS-UHFFFAOYSA-N 359.410 4.339 30 40 FIEB N#Cc1ccccc1-c1ccc(CSc2nnnn2Cc2ccco2)cc1 14190556 ANBCRTVTRZYTTO-UHFFFAOYSA-N 373.441 4.145 30 40 FIEB CN(C)CCN(C)CC(C)(C)C(=O)/C=C/c1ccc(Cl)c(Cl)c1 19364926 MHGBXBZZDKXTGI-VQHVLOKHSA-N 357.325 4.095 30 40 FIEB N#Cc1ccc(OC(F)(F)[C@@H](F)OC(F)(F)F)c(Br)c1 98210933 YDLVCLCDRVUUAX-QMMMGPOBSA-N 364.039 4.124 30 40 FIEB Cc1ccc(COc2nn(Cc3cccc4ccccc34)c(N)c2C#N)cc1 225848955 ZYWKMCVHKIYZQZ-UHFFFAOYSA-N 368.440 4.426 30 40 FIEB C=CCn1c(CCCC)nnc1SCC(=O)Nc1ccccc1Cl 408564593 ZVIJDWLNBGEFNB-UHFFFAOYSA-N 364.902 4.191 30 40 FIEB N#CCOc1ccccc1/C=C1\SC(=Nc2ccccc2Cl)NC1=O 408809020 HHBHHLAONHYPDH-WJDWOHSUSA-N 369.833 4.134 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(C)cc2)C[C@@H]1c1cccc(F)c1 4920027 TWYZRYFQAAGRHT-CTNGQTDRSA-N 352.405 4.453 30 40 FIEB C[C@H](/C(=N/N(C)C)c1ccccc1)[C@@H](C)/C(=N/N(C)C)c1ccccc1 6437315 ZDFMBBGNNCSRDC-IFJVRHGXSA-N 350.510 4.190 30 40 FIEB COc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1 8116642 GRSQOJREJURTCB-RCCKNPSSSA-N 367.426 4.214 30 40 FIEB N#Cc1cccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 12788130 FZLMYBAQPJWYOQ-UHFFFAOYSA-N 354.715 4.248 30 40 FIEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CC=C(c2ccccc2)CC1 12986476 ZHBDXRRXHDGPNP-UHFFFAOYSA-N 357.413 4.180 30 40 FIEB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(CCCCC#N)CC2 58338799 MSJRFAASCSAWJJ-FQEVSTJZSA-N 356.491 4.407 30 40 FIEB Cc1ccc(N=C2NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)S2)cc1Cl 408739095 TVBNSFJTWWRVRI-NVNXTCNLSA-N 373.821 4.448 30 40 FIEB Cc1c(/N=C/c2ccc3c4c(cccc24)CC3)c(=O)n(-c2ccccc2)n1C 823430 WQIYCLJCJXWOEX-MFKUBSTISA-N 367.452 4.487 30 40 FIEB N#Cc1ccc(NC(=O)COc2ccc(C3SCCS3)cc2)cc1 5584385 UPZFBUJNQICYAL-UHFFFAOYSA-N 356.472 4.054 30 40 FIEB N#C[C@@H]1C(=S)NC2=C([C@H]1c1ccc(Cl)cc1Cl)N1CCC2CC1 5762769 HLDFYKDETNCONR-JSGCOSHPSA-N 364.301 4.085 30 40 FIEB N#C[C@@H]1C(=O)Nc2nc3ccccc3n2[C@H]1c1ccc(Cl)cc1Cl 20637930 XMLITCKZAZIILF-NHYWBVRUSA-N 357.200 4.024 30 40 FIEB CSc1nc(O)c2c(n1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccccc1 40382570 DJGSBWHBQCNESO-AWEZNQCLSA-N 373.437 4.069 30 40 FIEB COc1cc2c(cc1OC)CCN(C)C(C(=O)c1ccc(Cl)cc1)=C2 49543541 XWOLWJSHOPYCNG-UHFFFAOYSA-N 357.837 4.069 30 40 FIEB biogenic C=C1C(C)(C)[C@@H]2CC[C@]1(C(=O)N1CCN(c3cccc(C)c3C)CC1)C2 100284423 SMWWPGGPWVRPFQ-XXBNENTESA-N 352.522 4.335 30 40 FIEB CCCCCCCCNC(=O)C(=O)Nc1ccc(Br)c(C)c1 408709902 ZFPBRSMKKCPCJY-UHFFFAOYSA-N 369.303 4.173 30 40 FIEB C=Cc1ccc(O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c(OC)c1 2261488 UWMGNCKYVWFEGD-GFCCVEGCSA-N 368.458 4.166 30 40 FIEB CC(=O)[C@H]1[C@H](C[N+](=O)[O-])C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 4887578 JDTTYBKAUCAYDW-POJZBZBFSA-N 373.493 4.226 30 40 FIEB C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)Cc1ccc(Cl)cc1Cl 7266608 BNWPZXFKADLKAJ-GFCCVEGCSA-N 362.260 4.324 30 40 FIEB C=C(C)CSc1nnc2n(-c3ccc(C)cc3)c(=O)c3ccccc3n12 9499161 JLBPRDFKYMNSTF-UHFFFAOYSA-N 362.458 4.010 30 40 FIEB N#Cc1cccc(NC(=O)CSCc2ccccc2Br)c1 32794311 JNEIGJFKQYHLJJ-UHFFFAOYSA-N 361.264 4.193 30 40 FIEB C=CCN1C(=O)N/C(=C/c2cn(Cc3ccc(C)cc3)c3ccccc23)C1=O 39556811 LDQOWGQKRIDUCJ-DEDYPNTBSA-N 371.440 4.077 30 40 FIEB CC(C)(CCc1ccccc1)NCC(=O)Nc1ccc(C#N)c(Cl)c1 72311973 AXKQAMRPDFATEB-UHFFFAOYSA-N 355.869 4.151 30 40 FIEB Cc1c(C(=O)N2CCCC2)sc(NC(=O)c2ccc(Cl)cc2)c1C#N 871375 IKPCUCXLWHMGPU-UHFFFAOYSA-N 373.865 4.070 30 40 FIEB Cc1ccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1C 1959817 DVTHSCSZORZWJW-GFCCVEGCSA-N 354.475 4.379 30 40 FIEB COc1ccc(C(=O)Nc2sc3c(c2C#N)C[C@@H](C)CC3)c(OC)c1 4070075 QRAMSMNZBSSVQU-NSHDSACASA-N 356.447 4.014 30 40 FIEB C=CCSc1nnc(NC(=O)c2cc3c(s2)CC[C@@H](C)C3)s1 6602573 AZANBAIEEFRSTH-SECBINFHSA-N 351.522 4.255 30 40 FIEB N#Cc1ccc(/C=C/C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1 8392021 GVEBZZMYFJGQCX-MDZDMXLPSA-N 357.413 4.119 30 40 FIEB O=C1C[C@@H](c2cccc3ccccc23)C2=C(O1)C(=O)c1ccccc1C2=O 20731005 AEQZHJZYUYMTTR-SFHVURJKSA-N 354.361 4.204 30 40 FIEB CC/C(C)=N\Nc1nc2cc(Cl)c(N3CCN(CC)CC3)cc2s1 57332272 JTXUPHOWAFOZET-NDENLUEZSA-N 365.934 4.289 30 40 FIEB O=C1Oc2ccccc2[C@H]1C/C(=N\Nc1ccccc1)c1ccccc1O 95550089 WUJJORNPCJIZED-VUSLFOADSA-N 358.397 4.301 30 40 FIEB NC(=O)c1c(/N=C\c2cc(Cl)cc(Cl)c2O)sc2c1CCCC2 100484649 HCGGKKKPEDTXAG-SCDVKCJHSA-N 369.273 4.489 30 40 FIEB Cc1[nH]c2c(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cccc2c1C 104487029 FFRABPOBPCFXTE-UHFFFAOYSA-N 373.456 4.340 30 40 FIEB Cc1ccc2c(c1)/C(=N/Nc1ccc(C(C)C)cc1)C(=O)N2C1CSC1 223721808 JLCGGYBLCWIEDT-ATJXCDBQSA-N 365.502 4.397 30 40 FIEB C[C@]12CC[C@@H]3[C@H]([C@@H]4C[C@@H]4C4=CC(=O)CC[C@@]43C)[C@H]1[C@@H]1C[C@H]1[C@@]21CCC(=O)O1 334162315 METQSPRSQINEEU-KRCMUWQLSA-N 366.501 4.306 30 40 FIEB C=CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OCC 408620872 MQWIQYAMIINGOZ-UHFFFAOYSA-N 356.378 4.119 30 40 FIEB O=[N+]([O-])c1cc(F)ccc1-c1ccc(/C=N/Nc2nc3ccccc3[nH]2)o1 409038223 UZOQMOLCUAYGIS-KEBDBYFISA-N 365.324 4.316 30 40 FIEB O=c1c2ccccc2nc(O)n1N=Cc1c2ccccc2cc2ccccc12 409354084 XUVOPQKAISGXSD-UHFFFAOYSA-N 365.392 4.291 30 40 FIEB Brc1csc(/C=N/c2ccc(N3CCOCC3)cc2)c1 4045794 KVTLXONZEZIADY-LICLKQGHSA-N 351.269 4.098 30 40 FIEB N#CCCN(C(=O)COc1cc(Cl)ccc1Cl)c1ccccc1F 4956085 UBMKZDYGIBVYCE-UHFFFAOYSA-N 367.207 4.458 30 40 FIEB C=CCn1c(=O)c2ccccc2n2c(S[C@H](C)c3ccccc3)nnc12 5277491 FKYLFBWJRNKAIB-CQSZACIVSA-N 362.458 4.084 30 40 FIEB Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccco2)cc1 5988414 JZYWWEOIDNRCBK-FQEVSTJZSA-N 373.408 4.367 30 40 FIEB COc1ccc(/N=C/c2cc(OC)c(OC)cc2Br)cc1 8116449 LAIPVDKNSVYPEA-VCHYOVAHSA-N 350.212 4.226 30 40 FIEB CCOc1ccccc1/N=C1/NC(=O)/C(=C\c2c[nH]c3ccccc23)S1 20227564 KXQOWENGFPENKZ-WOJGMQOQSA-N 363.442 4.458 30 40 FIEB N#Cc1cn(CCOc2ccc(F)cc2)c2ccc(Br)cc12 59109387 HADFZEVUPGUIKO-UHFFFAOYSA-N 359.198 4.494 30 40 FIEB C#CCn1/c(=N/C(=O)Cc2cccc3ccccc23)sc2cc(F)ccc21 100875417 HIRCIXLPVHYZCK-GYHWCHFESA-N 374.440 4.298 30 40 FIEB CCC(C)(C)[C@@H]1CCc2nc(N=C(O)[C@H]3CCc4nncn4C3)sc2C1 329177575 MWMCLTQPLRZILH-QWHCGFSZSA-N 373.526 4.126 30 40 FIEB COc1ccc2cc(C(=O)/C=C/c3cc(OC)c(O)c(OC)c3)ccc2c1 6047415 AXLVYPMVPAEWCV-RUDMXATFSA-N 364.397 4.467 30 40 FIEB CCOc1nc2sc3c(S)ncnc3c2c(-c2ccccc2)c1C#N 8705189 OKFHCVIKIQRGSF-UHFFFAOYSA-N 364.455 4.466 30 40 FIEB O=C1N/C(=N\c2cccc(Br)c2)S/C1=C\c1cccs1 13786952 OLTNSVNMEUAJJM-WQLSENKSSA-N 365.277 4.402 30 40 FIEB CCc1ccc(O)c(/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)c1 15134185 KZQORDYQRJQBDG-CAOOACKPSA-N 365.183 4.082 30 40 FIEB N#C[C@@H](C(=O)CSc1nccs1)c1nc(-c2ccccc2)cs1 51534223 LGZIGNFSGPONFX-LBPRGKRZSA-N 357.485 4.235 30 40 FIEB COc1cc(C(=O)/C=C/c2csc(-c3ccco3)n2)cc(OC)c1OC 58175094 RGMKVDYIYATRCY-VOTSOKGWSA-N 371.414 4.325 30 40 FIEB CC(C)Oc1cccc(CCCNC(=S)Nc2ccc(CC#N)cc2)c1 225564883 HXTDFOZIJUJINL-UHFFFAOYSA-N 367.518 4.459 30 40 FIEB C=CCOC(=O)c1ccc2[nH]c(-c3ccccc3Br)nc2c1 226235850 RINRSDUSBYMPIC-UHFFFAOYSA-N 357.207 4.335 30 40 FIEB C=CCOc1c(CC=C)cc(/C=C2\SC(=O)N(C)C2=O)cc1OCC 408817481 LSQNPFWSUBQIOI-VBKFSLOCSA-N 359.447 4.045 30 40 FIEB CCOC(=O)c1sc(NC(=O)c2ccco2)c(C#N)c1-c1ccccc1 409122395 XXGICPHRGBYZSB-UHFFFAOYSA-N 366.398 4.309 30 40 FIEB N#Cc1ccccc1CN1C(=O)S/C(=C/c2cc(Cl)ccc2O)C1=O 409168905 VAYKYZIJHKUNEJ-LZYBPNLTSA-N 370.817 4.154 30 40 FIEB Cc1cc(C)c(C#N)c(SCC(=O)c2cccc(Br)c2)n1 722072 OUNDEYFDDULHJJ-UHFFFAOYSA-N 361.264 4.308 30 40 FIEB CC(=O)NC(Nc1ccccc1C(F)(F)F)(C(F)(F)F)C(F)(F)F 2344650 LHZUJPPMZNOVAM-UHFFFAOYSA-N 368.199 4.074 30 40 FIEB CCOC(=O)c1sc(NC(=O)c2ccc3c(c2)CCCC3)c(C#N)c1C 4570474 YOQADQFUOXVWDY-UHFFFAOYSA-N 368.458 4.236 30 40 FIEB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/Nc1nc2ccccc2n1C 5072501 UNMJCNZWCWDKOU-CIAFOILYSA-N 364.840 4.167 30 40 FIEB COc1ccc(/C=C/C(=O)c2ccc(OC(F)F)c(OC)c2)c(OC)c1 7699271 YFDCHJLXVBVVEH-VMPITWQZSA-N 364.344 4.210 30 40 FIEB C#CCOc1ccc(/C=N/NCc2c(Cl)cccc2Cl)cc1OC 9197082 JLZXPYLKCYKJGZ-SRZZPIQSSA-N 363.244 4.138 30 40 FIEB Cc1ccc(-c2c[n+](CC(=O)Nc3ccc(C(C)C)cc3)c3n2CCC3)cc1 13768274 OKQPIAGYANYBFO-UHFFFAOYSA-O 374.508 4.459 30 40 FIEB O=C1Nc2c(Cl)cccc2/C1=C/C(=O)c1ccc(Br)s1 32071677 JOFVGPAOUBRZKF-VURMDHGXSA-N 368.639 4.382 30 40 FIEB COc1ccccc1-c1n[nH]c(/N=C(\O)CSCc2cccs2)n1 52778726 PYMYNJZMPULALP-UHFFFAOYSA-N 360.464 4.063 30 40 FIEB Cc1c(Cl)c(C(=O)Nc2sc3c(c2C#N)[C@H](C)[C@H](C)CC3)nn1C 331807581 WTYDOSSXXBNMFL-RKDXNWHRSA-N 362.886 4.253 30 40 FIEB COc1cc(/C=N/c2cccc(F)c2)ccc1OCc1ccc(C(=O)O)o1 409385943 OSXOUQRALAHJGQ-SSDVNMTOSA-N 369.348 4.455 30 40 FIEB CC(=O)NC(Nc1ccc(C(F)(F)F)cc1)(C(F)(F)F)C(F)(F)F 2257396 UUEDZLFEACICJK-UHFFFAOYSA-N 368.199 4.074 30 40 FIEB ClC(Cl)(Cl)c1nc(N/N=C/c2ccncc2)c2ccccc2n1 5257622 ZHGZTYWLQXJEAX-AWQFTUOYSA-N 366.639 4.298 30 40 FIEB N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc3ccccc3c2)CC1 16046809 ZTKQEQOUIDILNX-QFIPXVFZSA-N 373.431 4.002 30 40 FIEB C=CCC(CC=C)(CNC(=O)C(=O)Nc1ccccc1C)c1ccccc1 27240819 SZJPJYMVXUPCNE-UHFFFAOYSA-N 362.473 4.140 30 40 FIEB N#Cc1ccc(Sc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)nc1 40050784 RQQWAOODRBNYHJ-KRWDZBQOSA-N 362.458 4.147 30 40 FIEB CCOc1cc(/C=N/n2c(-c3ccccc3)n[nH]c2=S)cc(Cl)c1O 45333961 ZKNGRTSWOQOMKV-VXLYETTFSA-N 374.853 4.248 30 40 FIEB Cc1cc(C)c(S(=O)(=O)/N=C2/C=C(Cl)C(=O)c3ccccc32)cc1C 100823066 IDGPWWUNUNIEQY-FXBPSFAMSA-N 373.861 4.109 30 40 FIEB O=[N+]([O-])c1ccc(Oc2c(Cl)cc(Cl)cc2/C=N/O)c([N+](=O)[O-])c1 409093361 ZBIKZPRFWSFXSO-OMCISZLKSA-N 372.120 4.410 30 40 FIEB C=C(C)CSc1nc2ccsc2c(=O)n1Cc1ccc(OC)cc1 1889071898 OBYPMUJKFBDNAZ-UHFFFAOYSA-N 358.488 4.183 30 40 FIEB C=CCN1C(=O)S/C(=C/c2ccc(-c3ccc(C(C)=O)cc3)o2)C1=O 981863 LFSQEQOBZLSJHM-GZTJUZNOSA-N 353.399 4.372 30 40 FIEB CC1=NN(c2ccccc2)C(=O)[C@H]1[C@H](c1ccc(Cl)cc1)C(C#N)C#N 5482653 WJSYTJVVSMPQNC-RTBURBONSA-N 362.820 4.126 30 40 FIEB C[C@](O)(C#CC1(O)C2CC3CC(C2)CC1C3)C12CC3CC(CC(C3)C1)C2 5748748 XMIJNSZEALGMGN-PVJJUXSBSA-N 354.534 4.144 30 40 FIEB N#CCc1ccc(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1 9063296 IRCOYGCMSRXEIE-UHFFFAOYSA-N 367.880 4.257 30 40 FIEB C=CCNc1nc(C(=O)O[C@@H](C)C(=O)c2ccc(C(C)(C)C)cc2)cs1 10134277 ZWNMRAOTUMPQJV-ZDUSSCGKSA-N 372.490 4.467 30 40 FIEB C=CCn1c(COc2ccccc2)nnc1SCc1ccc(F)cc1 14087872 XVHWJAKOUUEWGW-UHFFFAOYSA-N 355.438 4.475 30 40 FIEB CCN(CC)Cc1cc(C(=O)/C=C/c2ccccc2[N+](=O)[O-])ccc1O 23424166 KPFFWLUIPKAAGD-PKNBQFBNSA-N 354.406 4.038 30 40 FIEB COC(=O)c1sc2ncc(C(=O)/C=C/c3cccc(C#N)c3)cc2c1C 32824474 BUDOPFTYBVIOJN-VOTSOKGWSA-N 362.410 4.159 30 40 FIEB COc1cc(/C=N/Nc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1O 35188470 BPZZJYDZCPZCQH-REZTVBANSA-N 356.165 4.062 30 40 FIEB Cc1ccc(CSc2nc(N)c(C#N)c(COc3ccccc3)n2)cc1 223681598 UNFMODRNJJERQC-UHFFFAOYSA-N 362.458 4.110 30 40 FIEB CCc1ccc(-n2c(C)cc(/C=C3\S/C(=N\C)N(C)C3=O)c2C)cc1 408759624 ICZYYJJJLZRNJQ-RTPYTOBHSA-N 353.491 4.188 30 40 FIEB CS(=O)(=O)Nc1ccccc1N=C(c1ccccc1)c1ccccc1 624495 QFYZYIMYPGOFQL-UHFFFAOYSA-N 350.443 4.227 30 40 FIEB C=CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCCN(CC)CC 1467948 KDPCOXJZKBZTEB-UHFFFAOYSA-N 361.493 4.150 30 40 FIEB C=CCOC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1cccc2ccccc12 6692255 YLMWVGVOOOIKKD-NRFANRHFSA-N 374.440 4.302 30 40 FIEB CC(C)[C@](C)(C#N)NC(=O)CNc1ccccc1Sc1ccccc1 11619663 CBZLEWYUMFUINR-FQEVSTJZSA-N 353.491 4.304 30 40 FIEB O=C1/C(=C/c2ccc(N3CCOCC3)cc2)CSc2c(F)cccc21 13433624 LFVOMKQDLWBINU-NTCAYCPXSA-N 355.434 4.034 30 40 FIEB CC1=NN(c2ccc(C(=O)Nc3sc4c(c3C#N)CCCC4)cc2)CC1 58185526 AWTXTZRFEYZFBB-UHFFFAOYSA-N 364.474 4.337 30 40 FIEB Cc1cccc(NC(=O)Cn2cc(C#N)c3cc(Br)ccc32)c1 59109368 OQQGIDAEJDQARS-UHFFFAOYSA-N 368.234 4.223 30 40 FIEB C=CCC[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 72481809 MZIFEJDIBMKKTE-OAHLLOKOSA-N 365.429 4.335 30 40 FIEB O=C1C[N+]2(CCCCCC2)C[C@@H](Cn2c3ccccc3c3ccccc32)O1 211070387 DMXWWMIBFGZCMI-GOSISDBHSA-N 363.481 4.111 30 40 FIEB C=CCN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224783341 FPPZLLVJKMTABS-UHFFFAOYSA-N 374.462 4.210 30 40 FIEB Cc1ccsc1/C=N/c1ccc(S(=O)(=O)N2CCCCCC2)cc1 672044 VVYUWMPJLKEBPD-XMHGGMMESA-N 362.520 4.372 30 40 FIEB Cc1ccc(C(=O)Nc2sc(C(=O)N3CCCCC3)c(C)c2C#N)cc1 817967 RLCXSMBGRRQDJA-UHFFFAOYSA-N 367.474 4.115 30 40 FIEB COc1ccccc1[C@@H]1CCCC[C@H]1OS(=O)(=O)c1ccc(C)cc1 1706529 SCPHFSRGKCEXLQ-AZUAARDMSA-N 360.475 4.435 30 40 FIEB O=C(/C=C/c1ccccc1Br)c1cccc(N2CCCC2=O)c1 7350170 LTMZFHNQRZDREG-ZHACJKMWSA-N 370.246 4.472 30 40 FIEB C=CCC1(CC=C)C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O 9190214 RUHYCFJERDWWDW-UHFFFAOYSA-N 360.413 4.325 30 40 FIEB Clc1ccc(CN/N=C/c2ccc(I)cc2)cc1 10118831 QALRLNFIDQFAPL-VCHYOVAHSA-N 370.621 4.068 30 40 FIEB N#Cc1cc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)ccc1Cl 10514976 HFDLVJNLBGCHHP-UHFFFAOYSA-N 360.744 4.031 30 40 FIEB COc1ccc(-c2csc(NC(=O)c3ccoc3C)n2)cc1CC#N 12600804 HTLUHMSVPLLUEV-UHFFFAOYSA-N 353.403 4.039 30 40 FIEB CCc1c(C#N)c(N)nc2sc(C(=O)c3cc(C)c(C)cc3C)c(N)c12 21630081 WJTWCZOALUBZEW-UHFFFAOYSA-N 364.474 4.051 30 40 FIEB C=CCNC(=O)[C@H](C)Sc1ncnc2cc(-c3ccc(F)cc3)sc12 27090812 NNILXDODCJZCJJ-NSHDSACASA-N 373.478 4.280 30 40 FIEB C=CCSc1ccccc1NC(=O)[C@H]1CC(c2cccc(F)c2)=NO1 36392980 FLXSVEPOZWTYKW-QGZVFWFLSA-N 356.422 4.236 30 40 FIEB N#Cc1c(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)cn2ccccc12 69950480 OZNKFVSIEVCNLT-HXUWFJFHSA-N 351.837 4.038 30 40 FIEB Cc1csc([C@H](C#N)C(=O)[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)n1 73975191 QOMROJGLVVTNMR-FRRDWIJNSA-N 350.365 4.450 30 40 FIEB C=CCc1ccc(O[C@@H](C)c2nc3ccc([N+](=O)[O-])cc3[nH]2)c(OC)c1 76555540 VSOKLBFMYGYFIN-LBPRGKRZSA-N 353.378 4.348 30 40 FIEB COc1ccc(C2(C(=O)Nc3ccc(OC)c(C#N)c3)CCCC2)cc1 225754302 JYVQFAQTKQEYEP-UHFFFAOYSA-N 350.418 4.026 30 40 FIEB Cc1cc(/C=N\c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccccc1C(=O)O 409215143 XJBJKOYLCVFYKA-MTJSOVHGSA-N 363.373 4.451 30 40 FIEB CCOc1cc(C#N)c(NC(=O)c2cc(Cl)ccc2OC)cc1OCC 1075563 OEMHMGHBEMOHPH-UHFFFAOYSA-N 374.824 4.270 30 40 FIEB C=CCn1c([C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)nc2ccccc21 4385033 QVYOOQGUVUOTBG-CQSZACIVSA-N 351.837 4.396 30 40 FIEB CC(=O)c1c(C)[nH]c(C2=NN/C(=N\c3c(C)cccc3C)SC2)c1C 6831259 RUVGHSFYKAFKTA-UHFFFAOYSA-N 354.479 4.179 30 40 FIEB C[C@H](C(=O)Nc1ccc(C#N)cc1)N1CCC(c2c[nH]c3ccccc23)CC1 10140469 FXHMYQLSKARHOX-MRXNPFEDSA-N 372.472 4.246 30 40 FIEB COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3C)NC2=O)c(OC)c1 16661555 OIMMDVBTYKUKFN-VCHYOVAHSA-N 368.458 4.212 30 40 FIEB N#CCc1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 20484149 HKYPWNHFCJYZPB-UHFFFAOYSA-N 364.426 4.346 30 40 FIEB CC(C)c1ccc2nc(SCC(=O)Nc3nccs3)c(C#N)cc2c1 35288895 SYRVDMQWIOMIBB-UHFFFAOYSA-N 368.487 4.417 30 40 FIEB N#Cc1nc(-c2ccccc2[N+](=O)[O-])oc1NCc1ccc(Cl)cc1 35672450 CRPHHLMILSVADK-UHFFFAOYSA-N 354.753 4.387 30 40 FIEB COc1ccc(C2(C(=O)Nc3ccc(OC)cc3C#N)CCCC2)cc1 225754531 ISJIXKFOAIHYKI-UHFFFAOYSA-N 350.418 4.026 30 40 FIEB Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2ccc3c(c2)OCO3)S1 408858109 JRGHOZUGHMOUSR-PXNMLYILSA-N 372.833 4.269 30 40 FIEB CCn1c(C)cc(/C=N\c2ccc(I)cc2)c1C 409071729 LCENVJPNCAZUCS-YVLHZVERSA-N 352.219 4.480 30 40 FIEB CN(C)c1ccc(-n2cccc2/C=N/c2ccc(N3CCOCC3)cc2)cc1 977322 WTKKAWLKEIJKMR-HKOYGPOVSA-N 374.488 4.131 30 40 FIEB Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=N/c1ccc2c(c1)OCO2 2659470 AVGJQWLSIDDIBV-OEAKJJBVSA-N 374.444 4.260 30 40 FIEB O=C(ON=C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(Cl)cc1 4053261 OYCGYVOBXOGKHC-UHFFFAOYSA-N 373.796 4.061 30 40 FIEB Cc1c2c(n3c(nc4ccccc43)c1C#N)N(CCc1ccccc1)CC2 4170430 PTJOMOVMIOBQPI-UHFFFAOYSA-N 352.441 4.273 30 40 FIEB CCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)S/C1=N/c1ccccc1 4664355 ZTXLBTHMSAPYCW-KXNKKEQVSA-N 368.458 4.328 30 40 FIEB CCc1c(C)c(C#N)c2nc3ccccc3n2c1N/N=C/c1ccc(O)cc1 5460256 VUVPYEFWRIVPOG-ZMOGYAJESA-N 369.428 4.382 30 40 FIEB N#Cc1ccc(C(=O)Oc2ccc3nc(N4CCCCC4)sc3c2)cc1 7512684 FSBFNLRJGQDNGG-UHFFFAOYSA-N 363.442 4.377 30 40 FIEB C=CCNC(=O)c1cc(-c2cc(C)sc2C)nc2c1cnn2C(C)C 14018020 GDYPKWPGCQOXPJ-UHFFFAOYSA-N 354.479 4.273 30 40 FIEB C(=N\N1CCN(/N=C\c2ccccc2)C1c1ccccc1)\c1ccccc1 31729900 YQHOSSJYRQMLRP-GJEUYDLNSA-N 354.457 4.371 30 40 FIEB Cc1csc([C@H](C#N)C(=O)CCC(=O)c2ccc3c(c2)CCCC3)n1 40089618 HNLSFXAZUWWZEG-QGZVFWFLSA-N 352.459 4.170 30 40 FIEB O=C1Nc2ccccc2/C1=N/Nc1nc(-c2ccccc2)c2ccccc2n1 46085391 JFOKLFSCKOWWPO-UHFFFAOYSA-N 365.396 4.065 30 40 FIEB C[C@@H](NP1(=O)OCC(C)(/N=C\c2ccccc2)CO1)c1ccccc1 104080503 WIHUNSNLHKQZMN-PZULVUBNSA-N 358.378 4.370 30 40 FIEB CCN(Cc1ccccc1)c1nn(-c2cccc(C(F)(F)F)c2)nc1C#N 256046552 GOVBYUCNPCPMQU-UHFFFAOYSA-N 371.366 4.184 30 40 FIEB Cc1ccc(/N=C2\S/C(=C/c3ccccc3OCC#N)C(=O)N2C)cc1 408906785 KHSPPOOTTHISCW-PVTBXJRFSA-N 363.442 4.131 30 40 FIEB CCCCC(=O)NC(Nc1ccccc1F)(C(F)(F)F)C(F)(F)F 3145721 FVENRVHVFZZNIS-UHFFFAOYSA-N 360.273 4.365 30 40 FIEB N#Cc1ccc(-c2ccc(OCC(=O)NCc3ccc(F)cc3)cc2)cc1 5406307 QATVIKXHWLHLPD-UHFFFAOYSA-N 360.388 4.060 30 40 FIEB N#Cc1ccc(OC(=O)CCCOc2cccc(Br)c2)cc1 5576863 NQHUKCYZDWBNRL-UHFFFAOYSA-N 360.207 4.085 30 40 FIEB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/Nc1nc2ccccc2o1 6526614 QEQCKTZGRTZBQT-RGVLZGJSSA-N 351.797 4.421 30 40 FIEB CS/C(=N/S(=O)(=O)c1cccs1)Nc1cccc(Cl)c1C 12589949 QKNYGKBVLHOVDL-UHFFFAOYSA-N 360.913 4.230 30 40 FIEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 12978353 DZUOOERWCCNLGO-YJYMSZOUSA-N 354.837 4.246 30 40 FIEB Cc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c2c(C)noc2n1 13642096 MXODBTDBDAWEPE-VIFPVBQESA-N 366.446 4.150 30 40 FIEB COc1cccc(C(=O)CSc2nc3cc(OC)ccc3cc2C#N)c1 35314353 YXBUVCPZBABQBE-UHFFFAOYSA-N 364.426 4.099 30 40 FIEB CCc1ccccc1/N=C1\S/C(=C/c2cccc(OC)c2O)C(=O)N1C 38361080 PAZIBDCGWXVGPG-MSYUKONTSA-N 368.458 4.197 30 40 FIEB O=C(Cc1ccccc1)O/N=C1/c2ccccc2-c2nc3ccccc3nc21 59488029 QGAMIOZQPFNCSB-ROMGYVFFSA-N 365.392 4.149 30 40 FIEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(OC)c(C)c3)S2)cc1 408756010 QIWASWYFBVACIG-PDGQHHTCSA-N 352.459 4.458 30 40 FIEB Cc1ccc(CNC(=O)CSc2nc3cc(C)ccc3cc2C#N)cc1 915336 QPCOVEJSBWPSLZ-UHFFFAOYSA-N 361.470 4.132 30 40 FIEB N#Cc1c(C(F)(F)F)cc(-c2ccccc2)n(/N=C/c2ccccc2)c1=O 3171905 RWRNMFGCWDNYMC-DHRITJCHSA-N 367.330 4.288 30 40 FIEB COc1cc(/C=N/Nc2nc(C)cc(C)n2)ccc1OCc1ccccc1 5158154 OOPIOVNFSNMAKG-LPYMAVHISA-N 362.433 4.127 30 40 FIEB C=CCNC(=O)[C@@H](C)Sc1nc(-c2cccs2)nc2ccccc12 7298641 OOTXJFBKGBPBDD-GFCCVEGCSA-N 355.488 4.141 30 40 FIEB Cc1ccc([C@H](NC(=O)COc2ccc(C#N)cc2)c2cccs2)cc1 7739990 IFHUGMDNZCEMBN-NRFANRHFSA-N 362.454 4.213 30 40 FIEB Cc1ccc(OCc2nc(CC(=O)Nc3cccc(C#N)c3)cs2)cc1 9836410 YQNZQWOPQKSWLC-UHFFFAOYSA-N 363.442 4.083 30 40 FIEB C[C@@H](Oc1ccc(C(=O)/C=C/c2ccccc2OC(F)F)cc1)C(=O)O 16390641 SQPFRYCKQNXFEA-JATZPVMKSA-N 362.328 4.036 30 40 FIEB O=C(C[n+]1cc(-c2ccc(F)cc2)n2c1CCC2)c1ccccc1Cl 17250102 LBYRFUMPJQQODH-UHFFFAOYSA-N 355.820 4.064 30 40 FIEB C#CCN1C(=O)S/C(=C\c2cc3c(cc2C)N(C)C(C)(C)C[C@H]3C)C1=O 208228519 NIBMZOOTXYQCEG-JVVDOCDTSA-N 368.502 4.387 30 40 FIEB C=CCOc1cccc(NC(=S)N[C@@H](C)COc2ccc(C)cc2)c1 225642993 QRQVAGDVQKQGPQ-INIZCTEOSA-N 356.491 4.314 30 40 FIEB CCOc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc(Cl)c1OC 408591135 ISDOIOGHOZXUOJ-VXLYETTFSA-N 364.785 4.206 30 40 FIEB Cc1ccc(/N=C2\S/C(=C/c3cc4c(cc3C)OCO4)C(=O)N2C)cc1 408905488 ASTCKMDNQIMWTH-POEAGTOVSA-N 366.442 4.266 30 40 FIEB Cc1ccc2cc(C#N)c(SCC(=O)N(C)C3CCCCC3)nc2c1 906827 XHZPAMIWKUPDKK-UHFFFAOYSA-N 353.491 4.298 30 40 FIEB CNc1ccc(/C=C/C(=O)c2ccccc2Br)cc1[N+](=O)[O-] 7155828 ZXMVQXCUSNINBN-VQHVLOKHSA-N 361.195 4.295 30 40 FIEB Cc1nnc(S)n1/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1 8227873 GAUFGPGLWDMYBX-REZTVBANSA-N 353.234 4.324 30 40 FIEB C=CCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc(Cl)cc1 8478298 SDNFTUBGGOVUBZ-GOSISDBHSA-N 372.852 4.052 30 40 FIEB C=CCc1cc(C(=O)Nc2cccc(C(=O)OCC)c2C)ccc1OC 10443749 SDLUWNIQOUZXKG-UHFFFAOYSA-N 353.418 4.161 30 40 FIEB O=C(C[n+]1cc(-c2ccc(F)cc2)n2c1CCC2)c1ccc(Cl)cc1 17027223 QEBLBYDNQFXPTH-UHFFFAOYSA-N 355.820 4.064 30 40 FIEB COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@H](C)[C@H]2CCCC[C@H]21 40133839 YNGMSUOORXTWSJ-QXAKKESOSA-N 370.493 4.153 30 40 FIEB COC(=O)c1ccc(/N=C/c2ccc(-c3ccc(C)c(C(=O)O)c3)o2)cc1 408855039 CRWFXBRIAMMPKU-WSDLNYQXSA-N 363.369 4.490 30 40 FIEB C#CCN1C(=O)S/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C1=O 4599312 AMRGIBLFVAXCOQ-DEDYPNTBSA-N 372.449 4.359 30 40 FIEB CCOc1ccc(/N=C/C(=C\Nc2ccc(OCC)cc2)[N+](=O)[O-])cc1 6319173 PJVGAHXUERDQSR-RBUZYVRTSA-N 355.394 4.417 30 40 FIEB CN(CC(=O)Nc1sc2c(c1C#N)CCC2)[C@H]1CCCc2ccccc21 7987609 ZEOPKMVIUCUTJJ-SFHVURJKSA-N 365.502 4.056 30 40 FIEB CCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)S/C1=N\c1ccc(C)cc1 8362971 WFNQXFVIXZXYJY-QFAYSNGYSA-N 366.442 4.348 30 40 FIEB C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(F)cc3)ccc21 8958747 LEYSVPGJZUCOFT-UHFFFAOYSA-N 368.408 4.016 30 40 FIEB O=C1C[C@H](/C=C/c2ccccc2)CC2=C1[C@H](c1cccs1)n1ncnc1N2 9190053 GDLSCJKRWVENMI-XYBRMAEGSA-N 374.469 4.301 30 40 FIEB C=C(C)COc1ccccc1CN1CCC(c2n[nH]c3ncccc23)CC1 12143432 ZGXWEQRZFSDYJP-UHFFFAOYSA-N 362.477 4.292 30 40 FIEB COc1ccc(C(=O)/C=C/c2cc(O)c(OC)cc2Br)cc1 13135207 HRDLJMFBGUFWIF-VMPITWQZSA-N 363.207 4.068 30 40 FIEB Cc1sc2[nH]c([C@@H](C)SCc3ccc(C#N)cc3)nc(=O)c2c1C 14084198 QOZNCRYPSHSOHE-GFCCVEGCSA-N 355.488 4.468 30 40 FIEB N#C[C@@H]1Nc2ccccc2N1Cc1csc(-c2ccc([N+](=O)[O-])cc2)n1 20512688 NEQXVANFSKQGCG-QGZVFWFLSA-N 363.402 4.000 30 40 FIEB O=C(CNc1cccc(C#Cc2cccs2)c1)NCc1ccccc1F 29934231 HGOFKVMAZDMUOA-UHFFFAOYSA-N 364.445 4.015 30 40 FIEB COc1cc(/C(C)=N\Nc2ncnc3sc4c(c23)CCCC4)ccc1O 36092610 XJXDMDXCDPNYGQ-JJFYIABZSA-N 368.462 4.120 30 40 FIEB CSc1nnc(C)n1/N=C/c1ccc(COc2ccccc2Cl)o1 36611379 SRFHFQBVZXKNLC-GIJQJNRQSA-N 362.842 4.016 30 40 FIEB CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3[C@](C)(O)C[C@]12C 118929583 NVFLFMSIUUPFBG-YIYVXZJTSA-N 358.522 4.330 30 40 FIEB C=CCOc1ccc(NC(=S)N[C@@H](C)COc2ccc(OC)cc2)cc1 225267931 AONOESSFYSHFLU-HNNXBMFYSA-N 372.490 4.014 30 40 FIEB CC[C@H](NC(=S)Nc1ccc(CC#N)cc1)c1ccc(OC)c(OC)c1 225718851 XHIOXXDQLKEVNY-KRWDZBQOSA-N 369.490 4.208 30 40 FIEB Cc1ccc2cc(C#N)c(SCC(=O)N[C@@H]3CCCC[C@@H]3C)nc2c1 906826 JGZDDSGTUCZYHA-WMLDXEAASA-N 353.491 4.202 30 40 FIEB CC1(C)[C@H]2CC[C@]1(C)[C@H](OCC[N+](C)(C)CC(=O)OCc1ccccc1)C2 2280182 WWSFBZLUMRJQDA-MIZPHKNDSA-N 374.545 4.038 30 40 FIEB COc1ccc(OC)c(/C=C2\S/C(=N/c3ccc(O)cc3)N=C2O)c1 6641988 VEAZANFQLSVEJM-YBEGLDIGSA-N 356.403 4.141 30 40 FIEB Cn1ncc2c(SCc3ccc(-c4ccccc4C#N)cc3)ncnc21 14199719 DWTQRFSOLBBLRS-UHFFFAOYSA-N 357.442 4.194 30 40 FIEB N#CCc1ccc(NC(=O)CNc2ccc(OC(F)F)c(Cl)c2)cc1 15320832 LQSGIHNGQKCIAP-UHFFFAOYSA-N 365.767 4.058 30 40 FIEB Cc1ccc(-c2c[n+](CC(=O)c3ccc4c(c3)CCCC4)c3n2CCC3)cc1 27300400 MPTWVWBZKXSOMV-UHFFFAOYSA-N 371.504 4.459 30 40 FIEB CCN(CC)[C@H](CNc1oc(-c2cccnc2)nc1C#N)c1ccccc1 35672641 IXWGOIMGHVWVTR-LJQANCHMSA-N 361.449 4.103 30 40 FIEB CCCCCCCCCNC(=O)C(=O)Nc1cccc(Br)c1 408707901 SNNLLNJFRFRVDZ-UHFFFAOYSA-N 369.303 4.254 30 40 FIEB CCCCCCOC(=O)C[N+](C)(C)CCO[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C 2291673 AJKXZFPSOIGUAC-CNNODRBYSA-N 368.582 4.418 30 40 FIEB CC(=O)Nc1ccc(/C=N/Nc2ncc(C(F)(F)F)cc2Cl)cc1 5603654 XCCRPXSWDHAEJX-QPSGOUHRSA-N 356.735 4.158 30 40 FIEB COc1ccccc1/C=C\C=N\n1c(S)nnc1-c1ccc(C)cc1 5814853 LOFDWLBWXYICSC-OWAXBLPRSA-N 350.447 4.098 30 40 FIEB CCN(CC)c1ccc(-c2nnc(SCC#N)n2-c2ccccc2)cc1 7047354 BZIGDTMWDMFXIW-UHFFFAOYSA-N 363.490 4.396 30 40 FIEB Cc1nc2ccccc2nc1COc1ccc(Br)cc1/C=N/O 16265338 WOAGLBPFWYNVJE-DJKKODMXSA-N 372.222 4.088 30 40 FIEB CC(C)C/N=C(\S)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20097968 XJPSRUJEKYTJAG-UHFFFAOYSA-N 367.562 4.335 30 40 FIEB CC1(C)Cc2c(C#N)c(NCc3ccccc3)nc(N3CCCC3)c2CO1 95478489 BDKGNMBQOGPMAN-UHFFFAOYSA-N 362.477 4.017 30 40 FIEB C#CCn1/c(=N/C(=O)c2ccc(C)cc2C)sc2cccc(Cl)c21 100910475 OCQFMDNCEDNULI-VZCXRCSSSA-N 354.862 4.347 30 40 FIEB C=CCN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(OC)cc1 224858653 OFAZSWMPRLZUJP-UHFFFAOYSA-N 351.855 4.038 30 40 FIEB Cc1ccccc1-c1nc(C#N)c(S(=O)(=O)Cc2ccc(Cl)cc2)o1 1775976019 IEXSZOPNIBTGJZ-UHFFFAOYSA-N 372.833 4.149 30 40 FIEB Cc1cc(C)c(C#N)c(SCC(=O)c2ccc(Br)cc2)n1 726770 MNAVBXAZJURASL-UHFFFAOYSA-N 361.264 4.308 30 40 FIEB O=C(Nc1ccc(/N=C/c2ccc(O)cc2O)cc1)c1ccc(F)cc1 1424014 XCYURKCBJYVBFH-WSDLNYQXSA-N 350.349 4.240 30 40 FIEB CC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C(C#N)(C#N)[C@H]2C=Cc3ccccc3N12 4451180 CWLFGOPSWCIDPP-NJYVYQBISA-N 373.843 4.330 30 40 FIEB N#Cc1ccc(-c2ccc(OCC(=O)c3ccc4c(c3)OCO4)cc2)cc1 6409055 IGFCZZZUKVDZKE-UHFFFAOYSA-N 357.365 4.216 30 40 FIEB Cc1c(OC(=O)C2CC2)ccc2c1O/C(=C/c1cn(C)c3ccccc13)C2=O 8993349 YGQBPAMGQRMZRK-RGVLZGJSSA-N 373.408 4.418 30 40 FIEB N#Cc1cccc(NC(=O)CN2CCc3sccc3[C@H]2c2ccccc2)c1 12941888 WHEKMHSLIQNKNE-JOCHJYFZSA-N 373.481 4.206 30 40 FIEB CN1/C(=C\C(=O)CN2CCC[C@H](C(F)(F)F)C2)C(C)(C)c2ccccc21 36423546 CHQWMXWBJOCVLE-DZBQEORWSA-N 366.427 4.141 30 40 FIEB O=C1/C(=C/c2csc(-c3ccccn3)n2)CCOc2ccc(F)cc21 44026592 ANSRIHWINOQXHH-FMIVXFBMSA-N 352.390 4.393 30 40 FIEB Cc1nc(S)sc1CC(=O)Nc1cccc(C#Cc2cccs2)c1 58077461 MTZYRCLZQQGMBH-UHFFFAOYSA-N 370.524 4.383 30 40 FIEB CN1CCC2=C1/C(=N\OC(=O)c1ccccc1)S/C2=N/c1ccccc1 96833640 UKYAFNKFFWTGQC-MGJZZARISA-N 363.442 4.224 30 40 FIEB C=CCOC(=O)c1ccc(OCc2ccc(F)cc2Cl)c(OC)c1 216809795 KOUWJYRYFMHKGR-UHFFFAOYSA-N 350.773 4.410 30 40 FIEB C=CCSc1nnc(NC(=O)[C@@H](CC)Oc2ccc(C)cc2C)s1 223224273 GFVABJSAXAJCNT-CYBMUJFWSA-N 363.508 4.229 30 40 FIEB C=CCn1c(SCCOc2ccccc2Cl)nc2ccccc2c1=O 2655961 BXKQVBCPPPXBTQ-UHFFFAOYSA-N 372.877 4.407 30 40 FIEB CCCCOc1ccc(/C=N/NC(=S)Nc2ccc(OC)cc2)cc1 3265623 JWQZQDXZBFUORS-XSFVSMFZSA-N 357.479 4.195 30 40 FIEB COc1cc(/C=N/n2c(C)nnc2C)ccc1OCc1ccccc1Cl 3336232 CKENQRBZOSEWPR-SRZZPIQSSA-N 370.840 4.018 30 40 FIEB O=C1CSC(=S)N1/N=C/c1cccc(Oc2ccc(Cl)cc2)c1 3529680 RFNDZLHFGGSDFK-GIJQJNRQSA-N 362.863 4.327 30 40 FIEB Cc1cc(Nc2cc(C#N)c(C#N)cc2[N+](=O)[O-])ccc1Br 4064583 HMQBYDSHWTZVIX-UHFFFAOYSA-N 357.167 4.153 30 40 FIEB Cc1ccc(C)c(-c2cs/c(=N\N=C\c3ccc([N+](=O)[O-])cc3)[nH]2)c1 4957154 COEPGJCQYZYZSB-VXLYETTFSA-N 352.419 4.203 30 40 FIEB C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)NC1CCCCC1 6743944 RWKVXQPMUPNIEY-UHFFFAOYSA-N 374.872 4.420 30 40 FIEB CCN(CC)c1ccc2cc(C(=O)/C=C/c3ccc(C#N)cc3)c(=O)oc2c1 7039556 ZNYGSSSUVLLLIN-FMIVXFBMSA-N 372.424 4.407 30 40 FIEB O=[N+]([O-])c1ccc(/C=N/NCc2ccc(Cl)cc2)c(Br)c1 10118963 UTLJGAILVXLKEO-GIJQJNRQSA-N 368.618 4.134 30 40 FIEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 12978355 DZUOOERWCCNLGO-DJJJIMSYSA-N 354.837 4.246 30 40 FIEB Cc1ccc(/C(=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(F)(F)F)cc1 18039896 ZDMNNDKBTIEBSP-ZHZULCJRSA-N 368.271 4.190 30 40 FIEB C=CC[C@](O)(c1ccc(CC)cc1)[C@H](CN1CCOCC1)c1ccccc1 26958584 YZVKMGUVVHJPGK-RPWUZVMVSA-N 365.517 4.129 30 40 FIEB O=C(C[n+]1cc(-c2ccc(F)cc2)n2c1CCCCC2)c1ccc(F)cc1 27028142 QGXSAKXHVBSNJJ-UHFFFAOYSA-N 367.419 4.330 30 40 FIEB Cn1ccnc1COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1 40139756 TYJMTMCOWIFCSR-RUDMXATFSA-N 354.356 4.173 30 40 FIEB O=C(Nc1cccc(C#Cc2cccs2)c1)N(C[C@@H]1CCOC1)C1CC1 48301557 RDZYBSNIKOKUMJ-KRWDZBQOSA-N 366.486 4.181 30 40 FIEB Cc1ccc(S(=O)(=O)/N=C(\O)C2(c3ccc(F)cc3)CCC2)c(C)c1 48476064 IWUVFJRHTBCTQO-UHFFFAOYSA-N 361.438 4.210 30 40 FIEB C/N=C1/S/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)N1C 408974554 BKJSOZFOSIOPTQ-FNEDYENRSA-N 366.364 4.497 30 40 FIEB Cn1cccc1C=Nn1c(-c2cc3ccccc3o2)nc2ccccc2c1=O 409304759 MEBBQWQUOFPIKF-UHFFFAOYSA-N 368.396 4.030 30 40 FIEB CCCN(CC)C(=O)c1ccc(C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 609148929 HXLPSYVSSYWKBW-UHFFFAOYSA-N 369.852 4.336 30 40 FIEB CC[C@@]1(C)NC(=O)N(/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O 3579420 GEDGONHUUNNLGB-MHRHTVJOSA-N 373.497 4.042 30 40 FIEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccccc1Cl 4624844 MOYSTPSAFJXDNA-QGZVFWFLSA-N 365.816 4.081 30 40 FIEB COc1cccc(-c2csc(/C(C#N)=N\Nc3ccc(F)cc3)n2)c1 5024162 ZUIQLQQYMNXFFA-KQWNVCNZSA-N 352.394 4.298 30 40 FIEB CCOc1cc(/C=N/c2ccccc2)cc(I)c1O 5336064 AEMMLVLQLDQTRG-LICLKQGHSA-N 367.186 4.146 30 40 FIEB C=CCOc1ccc(/C=C2\S/C(=N\c3ccccc3F)NC2=O)cc1 5551317 GAFPLYAONWOTKS-ATVHPVEESA-N 354.406 4.282 30 40 FIEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/Nc3ccccn3)c2C)cc1 5585805 GOOYIGLCEKJJJO-OEAKJJBVSA-N 362.433 4.112 30 40 FIEB COCCN1C(=O)/C(=C\c2ccc(F)cc2)S/C1=N\c1ccccc1 5660827 MEWISUIRIIVOGL-MNVZFQSXSA-N 356.422 4.076 30 40 FIEB C[C@H](N/N=C(\S)N1CC2CCC(CC2)C1)c1nccc2ccccc12 8672801 MCDJEIOIHGIMNU-FHERZECASA-N 354.523 4.208 30 40 FIEB C=CCN1C(=O)c2ccccc2N[C@H]1c1cc(Cl)c2c(c1)OCCCO2 9218931 FWPZHLHRSKMCJN-LJQANCHMSA-N 370.836 4.254 30 40 FIEB CC1(C)CC(=O)C=C(N[C@@H]2CCCC[C@H]2NC2=CC(=O)CC(C)(C)C2)C1 15022475 ADMFYXMNRHBGPX-WOJBJXKFSA-N 358.526 4.023 30 40 FIEB COC(=O)c1ccc2[nH]c(-c3ccccc3/N=C\c3ccncc3)nc2c1 15414496 ZOMGLGBZCZWXAC-QRVIBDJDSA-N 356.385 4.162 30 40 FIEB CCCCCCCCCCOC(=O)C[N+](C)(C)C[C@H]1CCCC[C@@H]1O 17595882 RSXRUILBVIGUDZ-UXHICEINSA-N 356.571 4.298 30 40 FIEB CC[C@H](C)c1ccc(NC(=O)c2sc3nc(N)c(C#N)cc3c2N)cc1 19852178 CFESOOPENHTZDM-JTQLQIEISA-N 365.462 4.098 30 40 FIEB COC(=O)N1C(=O)O[C@](C#CC2CC2)(C(F)(F)F)c2cc(Cl)ccc21 22054346 FUIGCZIMCGAKPZ-HNNXBMFYSA-N 373.714 4.234 30 40 FIEB in-vitro N#Cc1nc(-c2ccco2)oc1NC[C@H](c1cccs1)N1CCCC1 27992927 ALBLHKSQFITJBT-CQSZACIVSA-N 354.435 4.117 30 40 FIEB C=CCOc1ccc(C(=O)N2CCSC[C@H]2c2ccc(C)o2)cc1OC 78934833 YIWUOLTZIHLINI-INIZCTEOSA-N 373.474 4.092 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(N(C)C)cc2)C[C@H]1c1cccs1 97104900 QDMBWRLRWCBGRO-FXAWDEMLSA-N 369.486 4.133 30 40 FIEB C[C@@H]1CC[C@H]2C(=O)N(c3ccc(Oc4ccc(C#N)cc4)cc3)C(=O)[C@H]2C1 102071035 KJWSKORJFCFRHG-XMCHAPAWSA-N 360.413 4.276 30 40 FIEB CCOc1cc(/C=C(\C(=O)c2cccs2)C(=O)C(F)(F)F)ccc1O 408564245 XEGMKDSJLDZTFJ-DHZHZOJOSA-N 370.348 4.250 30 40 FIEB C=CCO[C@H]1CC2(CCN(C(=O)c3conc3C)CC2)c2cc(C)ccc21 1565541694 MPJMKIDECBQITM-FQEVSTJZSA-N 366.461 4.113 30 40 FIEB Brc1cccc(/C=N/n2cnnc2SCc2ccccc2)c1 940335 RIIXFPGCKIAVFW-VXLYETTFSA-N 373.279 4.215 30 40 FIEB N#Cc1c(Cl)nc(NNC(=S)Nc2ccccc2)c(Cl)c1Cl 1418737 CKYVNFUFGLYEEM-UHFFFAOYSA-N 372.668 4.227 30 40 FIEB CCCCOc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 5298411 RQLIHZZDPSHXBL-LDADJPATSA-N 358.354 4.128 30 40 FIEB COc1ccc(/C(=N\OC(C)C)[C@H]2C[C@H]2c2ccc3c(c2)OCO3)cc1 5384441 YMUCSXOQPKCMEH-MVWSPQEZSA-N 353.418 4.357 30 40 FIEB O=C1/C(=N\O)c2cc(Cl)ccc2N1Cc1c(Cl)cccc1Cl 5753815 LMYMQPDXPWLQTE-RGEXLXHISA-N 355.608 4.372 30 40 FIEB N#Cc1c(NC(=O)C[C@@H](C(=O)O)c2ccccc2)sc2c1CCCCC2 13255701 YDLVXHSRVLWGQZ-OAHLLOKOSA-N 368.458 4.086 30 40 FIEB C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](C)Oc1ccc(C#N)cc1 18890463 OVMJURIEBLLRKM-ZDUSSCGKSA-N 360.866 4.255 30 40 FIEB C=CCOc1c(Cl)cc(CN[C@H](C)[C@H](O)c2ccccc2)cc1OC 22076676 KOJAPZPTOAAVKW-KUHUBIRLSA-N 361.869 4.125 30 40 FIEB Cc1c(C#N)c(NC(=O)COc2ccccc2)n(Cc2ccccc2)c1C 44928680 XJNSCKRIYLCNLT-UHFFFAOYSA-N 359.429 4.042 30 40 FIEB CC1=Nc2ccccc2N/C(=N\C(=O)CN2CCCCC2)[C@H]1c1ccccc1 50043876 IYGZTCMEQLLOMR-JOCHJYFZSA-N 374.488 4.399 30 40 FIEB C=CCSc1ccccc1C(=O)N1CCN(c2ccccc2F)CC1 219801869 GMECRZVATKIXMY-UHFFFAOYSA-N 356.466 4.066 30 40 FIEB N#Cc1c(Cc2ccccc2F)nn(Cc2cccc3ccccc23)c1N 225848763 CSRHDTDXDIEOJV-UHFFFAOYSA-N 356.404 4.268 30 40 FIEB COc1cc(OC)cc(C(=O)/C=C/c2cc3cc(C)ccc3nc2OC)c1 226817739 RGHQEAKFEARBEK-SOFGYWHQSA-N 363.413 4.465 30 40 FIEB CC1(C)C[C@H](C(=O)N2C[C@@H](C#N)[C@H](c3ccccc3)C2)c2ccccc2O1 334109533 AMTXWYQISJXDBU-HOJAQTOUSA-N 360.457 4.097 30 40 FIEB CN(C)c1ccc(-n2cccc2/C=N\Nc2ccc(C(F)(F)F)cn2)cc1 408953935 QSCYHOJWRWOGPZ-CFRMEGHHSA-N 373.382 4.403 30 40 FIEB N#Cc1ccc(CN2CCC(NCC3CC(c4ccccc4)C3)CC2)cc1 555232961 RCPVEQUFFCNDND-UHFFFAOYSA-N 359.517 4.306 30 40 FIEB C/C(=N\Nc1ccccc1[N+](=O)[O-])c1sc(-c2cccnc2)nc1C 585146027 YIXNKEIPEOOWSX-UDWIEESQSA-N 353.407 4.258 30 40 FIEB COc1ccc(C(=O)Nc2sc(CC#N)nc2-c2ccc(C)cc2)cc1 936607 SFTXRYDZOMLUON-UHFFFAOYSA-N 363.442 4.446 30 40 FIEB O=S(=O)(c1ccc2ccccc2c1)N1CC=C(C#Cc2ccccc2)CC1 3844296 HHCVZRHWENDONF-UHFFFAOYSA-N 373.477 4.212 30 40 FIEB biogenic CC/N=C(/S)N/N=C/c1cn(Cc2ccccc2F)c2ccccc12 8691770 SBIFQHONYWCCLQ-SSDVNMTOSA-N 354.454 4.058 30 40 FIEB C=CCOc1ccccc1C(=O)Nc1nc(CN2CCCCCC2)cs1 12920957 GLCRLLKRJIFXPJ-UHFFFAOYSA-N 371.506 4.336 30 40 FIEB C=CCN1C(=O)S/C(=C/c2cc(Cl)cc(Br)c2O)C1=O 13881334 WBNMSFWEXJRDEV-BJMVGYQFSA-N 374.643 4.030 30 40 FIEB O=C1C(=Cc2cc([N+](=O)[O-])ccc2N2CCCCC2)C(=O)c2ccccc21 16406580 BZOFMXAXCZJFLF-UHFFFAOYSA-N 362.385 4.048 30 40 FIEB C=CCN(CCC(=O)Nc1sccc1C#N)Cc1ccc(Cl)s1 32739723 CWCQCBHIJUPITO-UHFFFAOYSA-N 365.911 4.351 30 40 FIEB Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1/N=C/c1ccc(N(C)C)cc1 59398937 DUAQBANDIVDCPW-FYJGNVAPSA-N 363.421 4.214 30 40 FIEB Cc1cccc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)c1[N+](=O)[O-] 103504623 XGHNSZKKJOHMDE-QGZVFWFLSA-N 373.368 4.018 30 40 FIEB C=CCOc1ccc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1 408563791 PXWUHDLAYGLXHR-UHFFFAOYSA-N 358.419 4.032 30 40 FIEB CCN(CC)CC#CCOCCOC(c1ccccc1)c1ccccc1 1812298 VWJVKDXYYHMPHO-UHFFFAOYSA-N 351.490 4.154 30 40 FIEB C=CCn1c(SCC(=O)c2ccccc2)nnc1-c1ccccc1OC 2449494 NLEUGJGZDDFYAB-UHFFFAOYSA-N 365.458 4.115 30 40 FIEB CC(=O)C1=NN(c2ccccc2)[C@H](C#Cc2ccccc2)N1c1ccccc1 3672743 CDDITMNBJCGIKW-HSZRJFAPSA-N 365.436 4.294 30 40 FIEB C=CCn1c2nc3ccccc3nc2c2c(=O)n([C@@H](C)CC)c(CC)nc21 5030646 XRNTXZNCCJZVOU-ZDUSSCGKSA-N 361.449 4.014 30 40 FIEB C[C@H](C#N)Sc1nnc(-c2ccccc2F)n1CCc1ccccc1 5326091 SGFUDQAMWGOHKZ-CQSZACIVSA-N 352.438 4.331 30 40 FIEB N#Cc1cc([N+](=O)[O-])ccc1NC1CCN(Cc2ccc(Cl)cc2)CC1 32806431 HVGKEFSHAHFULV-UHFFFAOYSA-N 370.840 4.196 30 40 FIEB CC1(C)[C@@H]2CC[C@]1(C)C(=O)/C2=C\N(O)/C=C1\C(=O)[C@]2(C)CC[C@@H]1C2(C)C 104122120 BLACPVKXBSSOTA-IIUSHARDSA-N 357.494 4.496 30 40 FIEB CCc1ccccc1/N=C1\S/C(=C/c2cccc(OC)c2)C(=O)N1C 408909838 HQDLXPLOOQTJDB-BIXZQSIESA-N 352.459 4.491 30 40 FIEB Oc1ccc(/C=N\n2c(S)nnc2-c2ccc(Cl)cc2Cl)cc1 1183788 ZDPJWIBGBJBAGI-LSCVHKIXSA-N 365.245 4.128 30 40 FIEB C=CCOC(=O)c1c(N)n([C@H](C)c2ccccc2)c2nc3ccccc3nc12 2321174 WWDXTUFYYIZVPV-CQSZACIVSA-N 372.428 4.119 30 40 FIEB O=C1CCCC2=C1[C@@H](c1ccccc1)C=C1c3cc4c(cc3CCN12)OCO4 4090798 BNQZOWRSXRHBJK-GOSISDBHSA-N 371.436 4.419 30 40 FIEB biogenic COC(=O)c1ccc(/N=C/c2ccc(N(C)C)c(Br)c2)cc1 5334485 IAUGTIQEZOUWLU-YBFXNURJSA-N 361.239 4.052 30 40 FIEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(N4CCCC4)o3)S2)c(C)c1 5531168 NWFXPCXZQCVMJK-ATVHPVEESA-N 367.474 4.388 30 40 FIEB CN(C)C(=O)COc1ccc(C(=O)/C=C/c2cccc3ccccc23)cc1 6337441 ATNDGCZECUNDAA-NTCAYCPXSA-N 359.425 4.203 30 40 FIEB C=CCNc1nc(C(=O)OCC(=O)Nc2ccccc2[C@@H](C)CC)cs1 7981932 ZENJVZIEGXYLJG-ZDUSSCGKSA-N 373.478 4.050 30 40 FIEB CCOCc1c(C(=O)OCCOc2ccc(C#N)cc2)oc2ccccc12 11243412 KNWGMMLHFGHTDC-UHFFFAOYSA-N 365.385 4.077 30 40 FIEB COc1ccc(Br)cc1/C=C/C(=O)c1ccc2c(c1)OCO2 13137536 UZKBZKSJVVKNLH-GORDUTHDSA-N 361.191 4.083 30 40 FIEB Cc1noc2c1[C@@H](c1cccnc1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 13570257 VLQXBHYDFCEKEJ-OXQOHEQNSA-N 357.413 4.336 30 40 FIEB O=[N+]([O-])c1cc2c(cc1/C=N\N=C1c3ccccc3-c3ccccc31)OCO2 16921095 ZHKYJIPYJZPLIG-JJFYIABZSA-N 371.352 4.175 30 40 FIEB C/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc2ccccc12 17285720 ZDHFODQTRIQUMI-UNOMPAQXSA-N 350.334 4.492 30 40 FIEB Cc1ccc(C[C@@H](C#N)Sc2nc(C)c(C)n2C[C@H]2CCCO2)cc1 32724413 PQOALOLNJSUTRT-MOPGFXCFSA-N 355.507 4.214 30 40 FIEB N#Cc1cc(NC(=O)c2ccccc2Cl)ccc1OCC(F)(F)F 36391337 VOOXONQCNDOEJC-UHFFFAOYSA-N 354.715 4.405 30 40 FIEB CC(C)Cc1n[nH]c(/N=C(\O)[C@@H](C)c2ccc(C[C@H]3CCCC3=O)cc2)n1 95479634 HEZJWYLPZNHZIZ-WMLDXEAASA-N 368.481 4.307 30 40 FIEB C=CCOc1ccc(/C=C2\SC(=N)[C@@H](c3nccs3)C2=O)cc1OC 108159765 RZMDJGRRNVTMRT-OGFIELIUSA-N 372.471 4.134 30 40 FIEB CCOc1c(OC)cc(C#N)cc1C(=O)NCc1cccc2ccccc12 408582435 OCQQFWRDETUTTD-UHFFFAOYSA-N 360.413 4.049 30 40 FIEB C#CCN1C(=O)S/C(=C/c2ccccc2OCc2ccccc2F)C1=O 409054295 FFYGSUCHJNNKTP-LDADJPATSA-N 367.401 4.074 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccccc2)C[C@@H]1c1cccc(N(C)C)c1 1554503050 BZFSZKVSYAZXCK-IFMALSPDSA-N 363.457 4.072 30 40 FIEB O=C1C=C(c2ccc(OCc3ccccc3)cc2)C(=O)C=C1Br 692257 FIZWIPYJEXVRQR-UHFFFAOYSA-N 369.214 4.080 30 40 FIEB Cc1sc2nc(SC[C@H](C#N)CCC#N)n(C(C)C)c(=O)c2c1C 7204480 NWTMXQRQMJUVEF-ZDUSSCGKSA-N 360.508 4.191 30 40 FIEB COc1ccc(C(=O)/C=C/c2cnc3c(C)cccn23)c(Br)c1 95468054 MQKCMHGAAJTQGP-VMPITWQZSA-N 371.234 4.310 30 40 FIEB N#Cc1cccc(C(=O)N2CCS[C@@H]2c2ccc(C(F)(F)F)cc2)c1 217630709 AIQRLRPNGIWMHE-QGZVFWFLSA-N 362.376 4.465 30 40 FIEB COc1cc(Cl)c(/C=C2\SC(=Nc3ccccc3)NC2=O)cc1OC 408886422 HARQEBPHEXGFTJ-SXGWCWSVSA-N 374.849 4.249 30 40 FIEB O=c1c2ccccc2nc(O)n1N=Cc1ccc(Sc2ccccc2)cc1 409365486 XKZQZDBNASCJGP-UHFFFAOYSA-N 373.437 4.136 30 40 FIEB C=CCN1C[C@@H](c2nc3ccccc3n2Cc2cc(C)ccc2C)CC1=O 4385997 ONSRCAIZXYGMKT-IBGZPJMESA-N 359.473 4.203 30 40 FIEB CCOc1ccc(Cl)cc1/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4664363 ZRSQTADPAFRPQN-RQZCQDPDSA-N 364.745 4.001 30 40 FIEB N#C[C@@H](C1=NC(=O)CS1)[C@H](CC(=O)c1cccs1)c1ccc(F)cc1 5341155 NJPPKTXZBNARBI-ZIAGYGMSSA-N 372.446 4.055 30 40 FIEB CC/N=C(/S)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 8691772 ANCNMIYALYWRQU-SSDVNMTOSA-N 354.454 4.058 30 40 FIEB CC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O 8991048 OJWZTHCZRAWGAL-IUXPMGMMSA-N 373.202 4.033 30 40 FIEB biogenic CC1=NC2=N/C(=N/c3cccc(C)c3C)N[C@H](c3ccc(C)cc3)N2C(O)=C1 9012882 LJXRNDXXLTYTLC-FQEVSTJZSA-N 373.460 4.433 30 40 FIEB CCCCCCCC(=O)C(=O)NCCc1coc(-c2ccc(F)cc2)n1 97971445 ZLQDYVORNYKPCN-UHFFFAOYSA-N 360.429 4.069 30 40 FIEB C/N=C1/S/C(=C/c2ccc(OCc3ccccc3Cl)cc2)C(=O)N1C 408930526 YDYKLIPRZOXOSY-WZOFUNJYSA-N 372.877 4.451 30 40 FIEB Clc1ccc2c(/C=N/Nc3nnc(-c4ccccn4)s3)c[nH]c2c1 1775986401 FUFPQZNDOFAENU-AWQFTUOYSA-N 354.826 4.181 30 40 FIEB Cc1nn([C@@H](C)C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1Cl 2782587 JUNUQLBKCPJZNQ-KOLCDFICSA-N 362.886 4.103 30 40 FIEB N#Cc1ccccc1OCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 8156356 VDMUBKMPKVBSFF-UHFFFAOYSA-N 369.833 4.353 30 40 FIEB CCSc1nc2n(n1)[C@@H](c1cccc(Cl)c1)C1=C(C[C@H](C)CC1=O)N2 22608534 PEJSUKLRKQHZPS-QFYYESIMSA-N 374.897 4.312 30 40 FIEB COc1ccc(C2=NN/C(=N\c3cccc(C)c3C)SC2)cc1OC 24033974 MQXZSKMFRWLQPC-UHFFFAOYSA-N 355.463 4.049 30 40 FIEB O=C1C(=Cc2cc(Cl)cc(Br)c2O)C(=O)c2ccccc21 32116902 WLBSIGVQGNNDOO-UHFFFAOYSA-N 363.594 4.271 30 40 FIEB C#CCOc1cccc([C@H]2CC(O)=Nc3c2ncn3-c2cccc(F)c2)c1 40288613 VAPNJPLQLYFEAJ-GOSISDBHSA-N 361.376 4.147 30 40 FIEB Cc1cc([N+](=O)[O-])ccc1/N=C/c1cc(Br)c(N(C)C)o1 59104316 YNVCPLNBJAGYPE-LZYBPNLTSA-N 352.188 4.075 30 40 FIEB C=CCNC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 69519327 ODLQVHBVPPAPHI-CYBMUJFWSA-N 374.893 4.375 30 40 FIEB C[Si](C)(C)c1nnn(-c2ccccc2)c1/C=N/c1ccc(Cl)cc1 195824658 CYHICEHCNFEPSU-DEDYPNTBSA-N 354.917 4.217 30 40 FIEB C#CCOc1ccccc1/C=C1\SC(=Nc2ccc(Cl)cc2)NC1=O 408532699 VIRQULVVFGUBKU-ATVHPVEESA-N 368.845 4.244 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccccc2)C[C@H]1c1cccc(N(C)C)c1 1554503053 BZFSZKVSYAZXCK-RBBKRZOGSA-N 363.457 4.072 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccs2)C[C@H]1c1ccc(N(C)C)cc1 812536 AWEFHQHEUGHFCJ-PXNSSMCTSA-N 369.486 4.133 30 40 FIEB COc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)cc1 2633700 MTHDRDIMFWXBIN-UHFFFAOYSA-N 371.396 4.071 30 40 FIEB COC(=O)c1sc(NC(=O)c2cccc(Cl)c2Cl)c(C#N)c1C 4537726 KRYGROPPOZNQCB-UHFFFAOYSA-N 369.229 4.274 30 40 FIEB CCCc1nc2ccccc2c(=O)n1/N=C/c1sc2ccccc2c1O 4872073 SKDKMUOZAVSNBS-CIAFOILYSA-N 363.442 4.152 30 40 FIEB CCc1c(C)sc(NC(=O)c2cc(-c3cccc(OC)c3)on2)c1C#N 4880815 YVJNCRNRXVMTAG-UHFFFAOYSA-N 367.430 4.407 30 40 FIEB CC(C)c1ccc2c(c1)/C(=N\Nc1c(F)c(F)nc(F)c1F)C(O)=N2 8403638 IQSGCSOKTNFUQY-UHFFFAOYSA-N 352.291 4.179 30 40 FIEB CCc1nc(C)c(C#N)c(S[C@@H](C)C(=O)Nc2ccccc2C(C)C)n1 12787268 QMTFXHUQBCLLOP-AWEZNQCLSA-N 368.506 4.462 30 40 FIEB CCc1c(C)sc2nc(SCC#N)n(-c3cccc(C)c3)c(=O)c12 12808601 NFJGPWFPMODYOK-UHFFFAOYSA-N 355.488 4.242 30 40 FIEB N#Cc1ccc(CN(CC(F)(F)F)C(=O)CCc2ccsc2)cc1 59265030 JEQUCYCNQSVTTH-UHFFFAOYSA-N 352.381 4.143 30 40 FIEB CCOC(=O)c1c(/N=C/c2ccc3c(c2)OCO3)sc2c1CCCC2 100210272 PRKXYANNDZFESE-KEBDBYFISA-N 357.431 4.283 30 40 FIEB CC[C@@H](NC(=S)Nc1ccc(CC#N)cc1)c1ccc(OC)c(OC)c1 225718822 XHIOXXDQLKEVNY-QGZVFWFLSA-N 369.490 4.208 30 40 FIEB Cc1ccc(C(=O)Oc2ccc(/C=N/Nc3nc(C)cs3)cc2)cc1 409068113 KFJDENMOZFENRT-RGVLZGJSSA-N 351.431 4.425 30 40 FIEB O=C1CSC(=S)N1/N=C\c1ccc(-c2cc(Cl)ccc2Cl)o1 409329101 CSSNWFZTBLQIMP-FMQZQXMHSA-N 371.270 4.448 30 40 FIEB Cc1ccc([C@@H](CNc2oc(-c3ccco3)nc2C#N)N2CCCC2)cc1 1775975962 HMCALAZGCCWJLZ-GOSISDBHSA-N 362.433 4.364 30 40 FIEB N#Cc1cc2c(nc1SCC(=O)OCc1ccccc1)CCCCC2 850134 OYIQWZFEQMOXRN-UHFFFAOYSA-N 352.459 4.058 30 40 FIEB COc1cccc(/C=C2\S/C(=N/c3cccc(C)c3C)NC2=O)c1OC 2370782 FNDCSWVJBOKQRO-BOPFTXTBSA-N 368.458 4.212 30 40 FIEB C(=N/Nc1nnnn1-c1ccccc1)\c1c2ccccc2cc2ccccc12 4199604 PFEWIXVBEFOLOX-HZHRSRAPSA-N 364.412 4.415 30 40 FIEB C/C(=N\OCC(=O)NC12CC3CC(CC(C3)C1)C2)c1cc2ccccc2o1 13139817 JASSGMDNSVCUCB-ZVHZXABRSA-N 366.461 4.258 30 40 FIEB Cc1ccc(-c2ccc(C#N)c(SCC(=O)NC3CCCCC3)n2)cc1 33011104 JUXSYBCMCZSLQX-UHFFFAOYSA-N 365.502 4.470 30 40 FIEB N#C/C(=N/Nc1ccccc1[N+](=O)[O-])c1nc(-c2ccc(F)cc2)cs1 33826081 RWLUUVGYDYELMD-HMAPJEAMSA-N 367.365 4.197 30 40 FIEB N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccncc2)cc1 72507975 IMNGDRHWMDFLMS-UHFFFAOYSA-N 359.454 4.176 30 40 FIEB Cc1cccc(OC[C@@H](O)CON=C2c3ccccc3-c3ccccc32)c1 95117239 CZTDYGPUXFWOGD-QGZVFWFLSA-N 359.425 4.184 30 40 FIEB C=CCn1/c(=N/C(=O)c2ccc(C#N)cc2)sc2cc(Cl)ccc21 100874277 HGLILEHBVDDIJN-UZYVYHOESA-N 353.834 4.155 30 40 FIEB Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)/C=C/c1c(F)cccc1F 103764022 VSMVUBJFIOMHHI-BOLDSZDNSA-N 364.351 4.360 30 40 FIEB C/N=C1/S/C(=C/c2cc(C)n(-c3c(C)cccc3C)c2C)C(=O)N1C 408928835 FCLLGAXHSUGFTQ-QTFLQNGUSA-N 353.491 4.243 30 40 FIEB C/C(=C\C(=O)c1ccc(Br)cc1)Nc1ccccc1C(=O)O 409181157 XZNRXCZHAUMEGY-ZHACJKMWSA-N 360.207 4.346 30 40 FIEB CCOc1ccc(/C=N/c2ccc(I)cc2)cc1 1229648 ZESFKAKHGIVXJW-GZTJUZNOSA-N 351.187 4.441 30 40 FIEB Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3ccc(N4CCCC4)o3)S2)c1 5530700 YOZNPNNOBIHSAU-ATVHPVEESA-N 367.474 4.388 30 40 FIEB CCCC/N=C1\S/C(=C\c2ccc(C(=O)OC)cc2)C(=O)N1CCCC 5552214 XIOQRBRMEYHFPX-HCWXFRTBSA-N 374.506 4.346 30 40 FIEB Cc1c(C#N)c(O)c(-[n+]2ccccc2)c(=S)n1-c1ccc(Cl)cc1 5691713 DYICPIGXEPKFPT-UHFFFAOYSA-O 354.842 4.023 30 40 FIEB C=CCSc1nc2ccccc2n1CC(=O)Nc1c(F)cccc1F 12551729 PJTYDAGFEDJARK-UHFFFAOYSA-N 359.401 4.231 30 40 FIEB C=CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1cccc(C)c1 14082157 XMZWVAYZLWQMIA-UHFFFAOYSA-N 364.474 4.170 30 40 FIEB O=[N+]([O-])c1cc(/C=N\c2ccc(Br)cn2)c(O)c2ccccc12 34097992 ZKYVIQPYXMVAHE-LSCVHKIXSA-N 372.178 4.362 30 40 FIEB C=CCSc1nnc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)s1 222745280 KXUBWQGROKSEIB-ZDUSSCGKSA-N 363.508 4.147 30 40 FIEB CSc1nc(N)nc(SCc2ccc(Cl)c(Cl)c2)c1C#N 1051411 NCTNTFRNPSWWAU-UHFFFAOYSA-N 357.291 4.251 30 40 FIEB Cc1noc(C)c1COc1ccc(C(=O)OCc2ccc(C#N)cc2)cc1 4463860 MRUAOHQYJOELCZ-UHFFFAOYSA-N 362.385 4.099 30 40 FIEB O=C(/C(=N/N=C/c1ccccc1[N+](=O)[O-])c1ccccc1)c1ccccc1 6674688 ISCSKJOGDGORIQ-LNEICIBQSA-N 357.369 4.301 30 40 FIEB C=CCNc1nnc(S[C@@H](C)c2nnc(-c3cccc(C)c3)o2)s1 9155404 CXSAHBHCWNCBBF-NSHDSACASA-N 359.480 4.348 30 40 FIEB CC1(C)CC(=O)[C@@H](C[C@H]2COC(C)(C)C/C2=N\Nc2ccccc2)CO1 12861427 HPBUPLSCXWKXPB-SJBDXFSSSA-N 358.482 4.044 30 40 FIEB biogenic CCOC(=O)[C@@H](C)Sc1nc2c(c(-c3cccs3)c1C#N)CCC2 17355357 WXWODNQEABQKBM-LLVKDONJSA-N 358.488 4.214 30 40 FIEB Cc1cc(OCC2CCN(c3nc4ccccc4cc3C#N)CC2)ccn1 1775967731 ATYDBCPXPMBWJW-UHFFFAOYSA-N 358.445 4.105 30 40 FIEB Cc1ccc(C)c2nc(SCC(=O)N3CCc4ccccc43)c(C#N)cc12 1354239 BZSXLIOTNFYXSH-UHFFFAOYSA-N 373.481 4.405 30 40 FIEB CCCCOc1ccc(C(=O)O/N=C(\C)c2ccc(OC)c(OC)c2)cc1 4651799 YGDFPAZKBLGAQG-PXLXIMEGSA-N 371.433 4.464 30 40 FIEB C/C(=N\N=C(/C)c1ccc(-n2ccnc2)cc1)c1ccc(-n2ccnc2)cc1 4864820 ANVAGNTYEHAZNT-RPCRKUJJSA-N 368.444 4.291 30 40 FIEB CCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1sccc1C)C2=O 5164228 FKNWVVACFKABGV-KPENOIPVSA-N 358.415 4.003 30 40 FIEB CC1=C(C(=O)c2ccccc2)[C@H](c2ccc(C(F)(F)F)cc2)NC(=O)N1 5517411 GYCHUPKBFJPXJH-INIZCTEOSA-N 360.335 4.216 30 40 FIEB O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1ccsc1)c1c(O)n[nH]c1N2 18197254 CICVUTPLLUWNMK-IINYFYTJSA-N 369.471 4.197 30 40 FIEB C#CCOc1cccc(CN[C@@H](Cc2ccsc2)c2nccs2)c1 19014294 UOHWVOWOPYKHRB-SFHVURJKSA-N 354.500 4.290 30 40 FIEB COCCNc1nc(SC)nc(-c2ccc(C(C)(C)C)cc2)c1C#N 19820345 FMEVIJQSFNPEGX-UHFFFAOYSA-N 356.495 4.093 30 40 FIEB CCOc1cc([C@H]2C(C(C)=O)=C(C)Nc3nc4ccccc4n32)ccc1O 20672636 QDABPMQRSZNDMT-FQEVSTJZSA-N 363.417 4.019 30 40 FIEB CN(C)[C@@H](CNc1oc(-c2ccccc2F)nc1C#N)c1cccs1 27794221 PBLHDCMXFXLQCR-HNNXBMFYSA-N 356.426 4.129 30 40 FIEB CC(C)=NNc1nc2c(C)cc(I)c(C)c2s1 40542219 WKQCPRVZPRLJCH-UHFFFAOYSA-N 359.236 4.325 30 40 FIEB COc1ccc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)c(OC)c1C 408963930 DUXKQMZEGDNTHP-GZTJUZNOSA-N 368.458 4.212 30 40 FIEB CN(C)c1ccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc1 409285394 WNTOLUSMLHRJOO-UHFFFAOYSA-N 374.488 4.392 30 40 FIEB CCC[C@H]1S/C(=N/N=C/c2ccccc2)N(Cc2ccc(F)cc2)C1=O 4910725 MJRLYDONLOUCPS-CRFHEJAGSA-N 369.465 4.460 30 40 FIEB COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccco4)ccc3C2=O)cc1 12859640 ZYPFKFYCWXIVBM-ODLFYWEKSA-N 362.337 4.124 30 40 FIEB biogenic CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@H]2c1cccc(O)c1)OCO3 18197455 HTAAFWRLKUPWHC-HXUWFJFHSA-N 363.413 4.322 30 40 FIEB COCCn1c(SCc2cn3ccccc3c2C#N)nc2ccccc21 24989012 CENIWDGWDIPYCN-UHFFFAOYSA-N 362.458 4.099 30 40 FIEB COc1ccccc1Oc1c(N)cc(C#N)n1Cc1ccc(Cl)cc1 225883491 QNRIMKJFSMECGW-UHFFFAOYSA-N 353.809 4.445 30 40 FIEB O=[N+]([O-])c1cc(/C=N\NC(=S)Nc2ccccc2)c(Cl)cc1Cl 409211818 OQXNXUNZXGBBNR-IUXPMGMMSA-N 369.233 4.222 30 40 FIEB COc1cc(OC)c(C(=O)/C=C/c2ccccc2)c(O)c1Br 4808190 SMCXTJBQMQBLHX-CMDGGOBGSA-N 363.207 4.068 30 40 FIEB Cc1ccc(/C(=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(F)(F)F)cc1 5745121 ZDMNNDKBTIEBSP-XSFVSMFZSA-N 368.271 4.190 30 40 FIEB N#CCCSc1ccccc1NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 6495739 XPLAUEMRASXYIN-KTKRTIGZSA-N 353.403 4.252 30 40 FIEB N#Cc1ccc(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2Cl)cc1 21676335 MPXFMYBAGWBPIW-UHFFFAOYSA-N 371.227 4.362 30 40 FIEB COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@@H](C)[C@H]2CCCC[C@@H]21 40133836 YNGMSUOORXTWSJ-QRQLOZEOSA-N 370.493 4.153 30 40 FIEB C=CCSc1ccccc1C(=O)Nc1ccccc1C(=O)NCCC 219807394 QRLRTLPVPXBLLO-UHFFFAOYSA-N 354.475 4.357 30 40 FIEB CCC(=O)Oc1oc(-c2ccccc2)nc1/C=N/c1ccc(N(C)C)cc1 2286646 SNLUPQMAEHWVGD-HYARGMPZSA-N 363.417 4.474 30 40 FIEB C=CCN1C(=O)/C(=N/N=C/c2c(OC)ccc3ccccc23)c2ccccc21 3360278 KAIPVEHVUKIOOM-HYYQVNHTSA-N 369.424 4.204 30 40 FIEB CC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)C(C#N)(C#N)[C@H]2C=Cc3ccccc3N12 4451179 CWLFGOPSWCIDPP-QHAWAJNXSA-N 373.843 4.330 30 40 FIEB N#C[C@H](C(=O)C(=O)NC12CC3CC(CC(C3)C1)C2)c1cccc2ccccc12 6864979 YPDCRJIUSJUQBC-XBESXDPPSA-N 372.468 4.101 30 40 FIEB COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SC)n2)cc1OC 7276113 FQCZWZRHABJZER-UHFFFAOYSA-N 354.353 4.378 30 40 FIEB Fc1ccc(/C=N/n2cnnc2SCc2ccc(Cl)cc2)cc1F 7349713 PDKWDFSAZSCJQE-ODCIPOBUSA-N 364.808 4.384 30 40 FIEB Cc1cc(C)cc(OCc2nnc(SCc3ccc(C#N)cc3)o2)c1 20197003 DWMRFDRUAHOHNB-UHFFFAOYSA-N 351.431 4.429 30 40 FIEB C=CCOc1cccc(NC(=S)N[C@@H](C)COc2ccccc2OC)c1 225787727 LXRWTALHQOYWQF-HNNXBMFYSA-N 372.490 4.014 30 40 FIEB CCOc1cccc(/C=C2\SC(=O)N(Cc3ccccc3C#N)C2=O)c1 409352102 WCXBRAKGLLARDE-WQRHYEAKSA-N 364.426 4.193 30 40 FIEB COc1ccccc1N1C(=O)CC[C@]1(C#N)c1ccc(Br)cc1 2221013 VMYXOSOIEJLBEE-SFHVURJKSA-N 371.234 4.004 30 40 FIEB C=CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1ccco1 6472756 OBVWGLUBZBXQAT-UHFFFAOYSA-N 368.462 4.072 30 40 FIEB O=C(/C=C/c1cc(Cl)c2c(c1)OCCCO2)c1ccc2c(c1)OCCO2 7906901 IXWSCTBUQWRTLW-DUXPYHPUSA-N 372.804 4.169 30 40 FIEB CCn1c(S[C@H](C)C(=O)Nc2ccccc2C#N)nc2ccccc21 10054558 KTLPICITKKCZBG-CYBMUJFWSA-N 350.447 4.047 30 40 FIEB N#Cc1c(CSc2nc3ccccc3c(=O)n2C2CC2)cn2ccccc12 11124481 YOAUIKCPJCRXRY-UHFFFAOYSA-N 372.453 4.148 30 40 FIEB CN1/C(=C\C(=O)COc2cccc3cccnc23)C(C)(C)c2ccccc21 12659730 GXXNRGVFRHWMCR-STZFKDTASA-N 358.441 4.494 30 40 FIEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N(C)Cc1cccc(Cl)c1 12911125 PJGRJVMTGJTKRU-UHFFFAOYSA-N 353.809 4.176 30 40 FIEB N#Cc1ccc(-c2ccc(OC(=O)c3ccc4nccnc4c3)cc2)cc1 16778608 JJFMVUHFRXQQDY-UHFFFAOYSA-N 351.365 4.388 30 40 FIEB N#Cc1ccc(C(=O)N(Cc2ccc(Br)cc2)C2CC2)cc1 32796511 MYTZFNIRUKWAQV-UHFFFAOYSA-N 355.235 4.126 30 40 FIEB CC(C)NC(=O)Nc1ccc(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 32831775 HPKDVAVDFRWYEM-IZZDOVSWSA-N 353.378 4.021 30 40 FIEB C#CCC(CC#C)(P(=O)(OCC)OCC)P(=O)(OCC)OCC 35274783 NMWKQVANFLAVTL-UHFFFAOYSA-N 364.315 4.262 30 40 FIEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccc(F)cc1 103087469 MWGYEMCJWVSLBF-GHNGSUTGSA-N 353.393 4.048 30 40 FIEB CCOC(=O)[C@H](C#N)[C@@H](c1ccco1)[C@@H]1C(=S)Sc2ccccc21 137651830 DFQWBJXAXWCZQR-UHOFOFEASA-N 357.456 4.283 30 40 FIEB O=[N+]([O-])c1cc(Cl)cc(/C=N\Nc2ccc(C(F)(F)F)cc2)c1O 408935834 OCZUMCKUURUSBZ-GXHLCREISA-N 359.691 4.419 30 40 FIEB CCOc1cc(/C=C2\S/C(=N\c3ccc(CC)cc3)NC2=O)ccc1O 1413705 GMUDNMLSMMWWAU-PDGQHHTCSA-N 368.458 4.245 30 40 FIEB COCCN1C(=O)/C(=C\c2cccc(C)c2)S/C1=N\c1ccccc1 2783084 CSXQCLXEYHSURR-HOOMGSECSA-N 352.459 4.245 30 40 FIEB C=CCn1c(=O)c2ccccc2n2c(S[C@@H](C)c3ccccc3)nnc12 5277488 FKYLFBWJRNKAIB-AWEZNQCLSA-N 362.458 4.084 30 40 FIEB CCc1nnc(S)n1/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 6684804 OJCFEEOJMDNHAU-RGVLZGJSSA-N 360.527 4.312 30 40 FIEB CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc(Br)cc2)c1O 6758635 YUWDBTNGTLEYLS-RQZCQDPDSA-N 365.183 4.212 30 40 FIEB C=CCOc1ccc(CN(C)C[C@@H](O)COc2ccccc2C(C)C)cc1 6790355 MCPXDPXWLHKVHP-HXUWFJFHSA-N 369.505 4.247 30 40 FIEB C=CCn1c(SCCOc2ccccc2)nnc1-c1ccc(OC)cc1 7341873 RWNCMGIZAMHDBR-UHFFFAOYSA-N 367.474 4.311 30 40 FIEB Cn1c(COc2ccccc2Cl)nnc1SCc1ccccc1C#N 8276861 RUWXQSHNOSIMPF-UHFFFAOYSA-N 370.865 4.211 30 40 FIEB O=C(Oc1ccc2c(c1)O/C(=C\c1cccnc1)C2=O)c1ccc(F)cc1 8642975 LZZLCNPPMSIEQE-GRSHGNNSSA-N 361.328 4.056 30 40 FIEB C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)C3CCCCC3)cc21 8959555 PFWXTFQXRMAJGI-UHFFFAOYSA-N 356.466 4.143 30 40 FIEB C(=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1)\c1cccs1 19682422 JMGACQFWLUTIBU-KQWNVCNZSA-N 359.498 4.470 30 40 FIEB C(=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1)\c1cccs1 19682425 JMGACQFWLUTIBU-XQNSMLJCSA-N 359.498 4.470 30 40 FIEB COc1ccc(OC)c(C[C@H](C#N)C(=O)Nc2cccc3ccccc23)c1 57523281 RYGUWZMMBCHURP-QGZVFWFLSA-N 360.413 4.178 30 40 FIEB CN(C)c1ccc(C=C2C(=O)c3cccc4cccc(c34)C2=O)cc1[N+](=O)[O-] 59497599 QGPIESAIZPVTJY-UHFFFAOYSA-N 372.380 4.277 30 40 FIEB COc1ccc(/N=C2/C(=O)N(C(=O)c3ccc(C)cc3)c3ccccc32)cc1 100938161 VKVBYFRRFYXLHH-DARPEHSRSA-N 370.408 4.311 30 40 FIEB C=CCN(c1ccccc1CC)S(=O)(=O)c1ccc(OC)c(Cl)c1 224948978 GZROSYOKCISJGU-UHFFFAOYSA-N 365.882 4.292 30 40 FIEB Cc1ccc(COc2nn(Cc3ccccc3Cl)c(N)c2C#N)c(C)c1 225839798 ISKKMLHNSWBYQX-UHFFFAOYSA-N 366.852 4.235 30 40 FIEB O=C1NC(=Nc2ccc(F)cc2)S/C1=C/C=C/c1ccccc1[N+](=O)[O-] 408968115 ZNBKSNZDHKTZOY-FWPHUCDGSA-N 369.377 4.182 30 40 FIEB O=C1CCCC2=C1C(c1ccc(Br)o1)C1=C(CCCC1=O)O2 409211848 OVZXQSRFNDVAIG-UHFFFAOYSA-N 363.207 4.170 30 40 FIEB O=C(COc1c(Cl)cc(/C=N\O)cc1Cl)Nc1ccccc1Cl 409272734 RXYXEGCCJNDYPD-GXHLCREISA-N 373.623 4.472 30 40 FIEB CC1(C)OB(C2CCN(Cc3ccc(C4(C#N)CC4)cc3)CC2)OC1(C)C 1776007676 SPVNUOHGDMDCDM-UHFFFAOYSA-N 366.314 4.300 30 40 FIEB O=C1N/C(=N/c2ccc(Cl)cc2)S/C1=C\c1cccc([N+](=O)[O-])c1 5610654 ROOZBDLCDRQRET-ZROIWOOFSA-N 359.794 4.140 30 40 FIEB CSc1nc2n(n1)[C@@H](c1ccc(C(C)C)cc1)C1=C(C[C@H](C)CC1=O)N2 22608303 MGRYTLQSOSLCKL-SGTLLEGYSA-N 368.506 4.391 30 40 FIEB CCCC(=O)Nc1ccc(-c2csc(N/N=C\c3ccncc3)n2)cc1 31904623 ODQKSIYNQROGSR-MTJSOVHGSA-N 365.462 4.390 30 40 FIEB CC(C)(C)c1ccc(OCCN2C(=O)/C(=N\O)c3c(Cl)cccc32)cc1 46085220 WSFKTFQBWBXIEI-PYCFMQQDSA-N 372.852 4.241 30 40 FIEB CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)[C@@H](C)C[C@]4(C)[C@@]3(F)C(=O)C[C@]12C 118928693 CCIHHCZWSDAQGO-XLDXIZIASA-N 360.469 4.241 30 40 FIEB CC(C)(C)c1cc(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)c(C#N)s1 154277536 DEKAPRKJEIOPSC-LBPRGKRZSA-N 371.437 4.121 30 40 FIEB O=C(O)c1ccc(-n2cccc2/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 408937316 QIDNOAQYEOBFDS-RGVLZGJSSA-N 369.764 4.488 30 40 FIEB Cc1cc(C)nc(N/N=C\c2cc(C)n(-c3ccc4ncccc4c3)c2C)n1 408966022 LAPPIUOQTQZJLJ-CFRMEGHHSA-N 370.460 4.495 30 40 FIEB COc1cc(/C=N\c2ccccc2O)ccc1OCc1ccc(C(=O)O)o1 409385384 KIFDVJMMVBNGRI-NHDPSOOVSA-N 367.357 4.022 30 40 FIEB C=CCSc1nc2c(c(=O)n1C)C1(CCCCC1)Cc1ccccc1-2 2054361 VSIMTUYWVZXNNK-UHFFFAOYSA-N 352.503 4.483 30 40 FIEB C=CCOC(=O)c1c(N)n([C@@H](C)c2ccccc2)c2nc3ccccc3nc12 2321173 WWDXTUFYYIZVPV-AWEZNQCLSA-N 372.428 4.119 30 40 FIEB Cc1nn([C@H](C)C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1Cl 2782588 JUNUQLBKCPJZNQ-MWLCHTKSSA-N 362.886 4.103 30 40 FIEB FC(F)c1nnc(S)n1/N=C/c1ccc(Cc2ccccc2)s1 2790340 MULVCASGDXVJBI-GIJQJNRQSA-N 350.419 4.039 30 40 FIEB Clc1ccc(/C=N/Nc2nc3ccccc3n3cnnc23)c(Cl)c1 4792974 RTIFXBPMEIOQHT-UFWORHAWSA-N 357.204 4.030 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(F)cc2)C[C@@H]1c1cccc(OC)c1 4918581 YNICVHFUYGBONU-CTNGQTDRSA-N 368.404 4.154 30 40 FIEB CCCn1c(/N=C/c2c(C)nn(-c3ccccc3)c2O)nc2ccccc21 6620956 YDGFXKQFCKXTBX-HYARGMPZSA-N 359.433 4.397 30 40 FIEB CCCOc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc1OC 7007847 RAPRAGIDBCIKOV-RMKNXTFCSA-N 356.418 4.397 30 40 FIEB Cc1nc(-c2ccc(N[C@@H](C)C(=O)Nc3ccccc3C#N)cc2)cs1 12563981 BSEGMYMLSYLKQQ-ZDUSSCGKSA-N 362.458 4.429 30 40 FIEB CCOC(=O)N1C/C(=C/c2cccs2)C(=O)/C(=C/c2cccs2)C1 12792272 FEIGSYVFNQCRQD-ZKLMZBBOSA-N 359.472 4.318 30 40 FIEB C[C@H](NCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)c1ccc(F)cc1 12860568 YGYIUUJKYSQVLH-OLZOCXBDSA-N 371.481 4.173 30 40 FIEB COc1cccc(C(=O)Nc2cccc(C#Cc3cccs3)c2)c1OC 24832195 XKYYEYDPKNGNBM-UHFFFAOYSA-N 363.438 4.417 30 40 FIEB C[C@]12CC[C@H]3[C@H]([C@@H]1[C@@H]1C[C@@H]1[C@@]21CC[C@H](O)O1)[C@H]1C[C@H]1C1=CC(=O)CC[C@@]13C 77293670 OZHJDAVVZBEUJC-IRVUPBGASA-N 368.517 4.098 30 40 FIEB in-vitro C=CCN1C(=O)/C(=C/c2ccccc2)S/C1=N/c1cccc([N+](=O)[O-])c1 100564031 SXRKRWONZCOWKI-QLJNEMMGSA-N 365.414 4.385 30 40 FIEB N#Cc1cccc(OC2CCN(C(=O)c3ccc4c(c3)CCCC4)CC2)c1 609185466 PVGVYQRIXXSQKV-UHFFFAOYSA-N 360.457 4.121 30 40 FIEB O=C(C1=Cc2ccc(N3CCOCC3)c3cccc(c23)C1=O)c1ccccc1 1276573 NRMDLZZLLHPMLG-UHFFFAOYSA-N 369.420 4.139 30 40 FIEB C=CCSc1nnc(NC(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)s1 2703084 QTXOTKKPKPOXMQ-APPZFPTMSA-N 364.323 4.346 30 40 FIEB Oc1c(Br)cc(Cl)cc1/C=N/c1ccc2c(c1)OCCO2 3153396 VHLMXAIMPOSQKF-QGMBQPNBSA-N 368.614 4.330 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(F)cc2)C[C@H]1c1ccccc1C 4918523 SSMJQMMCCGUIIP-FPOVZHCZSA-N 352.405 4.453 30 40 FIEB N#Cc1ccccc1OCC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 8115217 ZUSMFLNPMOITOV-QFIPXVFZSA-N 374.465 4.173 30 40 FIEB CC(C)CC(=O)Nc1sc2c(c1C#N)CCN(Cc1ccccc1)C2 14162798 HESZVIDAWSDIEN-UHFFFAOYSA-N 353.491 4.163 30 40 FIEB C=CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OC(F)F)c(OCC)c1 24034541 MIEQAMBXVJSIJI-SFHVURJKSA-N 374.387 4.439 30 40 FIEB Cc1cc(/C=C2\S/C(=N\c3ccccc3)NC2=O)c(C)n1-c1ccccn1 95615560 WFGBKPBKZGJAHY-AQTBWJFISA-N 374.469 4.381 30 40 FIEB C=CCn1c(CCCC)nnc1SCC(=O)Nc1c(C)cccc1C 408560680 NGYVFMDWJBVVOJ-UHFFFAOYSA-N 358.511 4.154 30 40 FIEB Cn1cccc1/C=C1\SC(=Nc2ccccc2)N(Cc2cccnc2)C1=O 409101691 QMKJQEGZLDPGDJ-CUVVSLBBSA-N 374.469 4.224 30 40 FIEB Cc1ccsc1CN(C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 8071233 FSRZFSSMPNRXPA-UHFFFAOYSA-N 373.547 4.329 30 40 FIEB CCN(CC)c1ccc(-c2nnc(Sc3ccc(C#N)cn3)o2)cc1 12782348 USZUGMCUKHCEBK-UHFFFAOYSA-N 351.435 4.001 30 40 FIEB Cc1nn(CC(C)C)c(Cl)c1/C=C1\S/C(=N\C2CCCC2)NC1=O 21362228 JBYQPKGAUOORSY-ZSOIEALJSA-N 366.918 4.003 30 40 FIEB CCn1nc(C(C)C)cc1C(=O)Nc1cccc(C#Cc2ccccn2)c1 32963701 SLAUZQCTQKPPHO-UHFFFAOYSA-N 358.445 4.074 30 40 FIEB Cc1ccc2nc(C)cc(C(=O)OCc3cn4ccccc4c3C#N)c2c1 48301400 HEMBCMXFCPXTRV-UHFFFAOYSA-N 355.397 4.333 30 40 FIEB COc1ccc([C@@H]2C[C@]2(C#N)c2nc3ccccc3[nH]2)cc1OC(F)F 67172439 BFTABJNOIXSNJQ-HXPMCKFVSA-N 355.344 4.122 30 40 FIEB O=S(=O)(OCCC[C@H]1C[C@H]2C=C[C@H]1C2)c1ccc(Br)cc1 100184628 YWTFWGLNBUOVSE-RDBSUJKOSA-N 371.296 4.147 30 40 FIEB N#Cc1ccc(COC(=O)C23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)cc1 100901877 RGIVZWJGCZZJRU-FDCMFXBMSA-N 374.278 4.335 30 40 FIEB C#CCOC(=O)c1cc(-c2ccccc2)nc2ccc(Br)cc12 226360026 SKYFOZWGNGSMCE-UHFFFAOYSA-N 366.214 4.454 30 40 FIEB C=CCc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(OCC)c1OC 409078503 IBDUYQPERMKXJA-AQTBWJFISA-N 363.413 4.167 30 40 FIEB COC(=O)c1ccc(/C=N/c2cccc(NC(=O)c3ccccc3)c2)cc1 903949 QZSQCKQFKHFZJU-HZHRSRAPSA-N 358.397 4.476 30 40 FIEB CCc1ccccc1[C@H](O)C(O)(C#Cc1ccccc1)C#Cc1ccccc1 3764808 JITIAFFMVXWQLD-VWLOTQADSA-N 366.460 4.117 30 40 FIEB Cc1ccc(-c2cc(-c3ccccc3)nc(SCC(N)=O)c2C#N)cc1 4075383 ZWRBYSCDVQOSFP-UHFFFAOYSA-N 359.454 4.173 30 40 FIEB O=[N+]([O-])c1cccc(/C=N/Nc2cc(Cl)nc(-c3ccccc3)n2)c1 4713157 NBDFCTWILRCDQF-YBFXNURJSA-N 353.769 4.151 30 40 FIEB COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(Br)c1O 6337315 PFVBFCKXCSNMLL-GORDUTHDSA-N 369.161 4.338 30 40 FIEB N#Cc1c(NC(=O)CSc2nccn2C2CC2)sc2c1CCCCC2 11892345 IGZLGMNVVPWQLF-UHFFFAOYSA-N 372.519 4.151 30 40 FIEB C=C(C)CSc1nnc(SCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)s1 12980055 VPLQHUSFFOOPPR-YNEHKIRRSA-N 371.597 4.239 30 40 FIEB COc1cc(/C=N\O)cc(Br)c1OCc1ccc(Cl)cc1 15987987 JYJAYGWGJVISOU-LSCVHKIXSA-N 370.630 4.498 30 40 FIEB COc1ccc(-c2c(C#N)c(N)nc3c2C[C@H](C(C)(C)C)CC3)cc1OC 19866279 LTOVIYODGZOZSC-CQSZACIVSA-N 365.477 4.371 30 40 FIEB Cc1nc(SC[C@@H]2CCCCO2)c(C#N)cc1C(=O)Nc1ccccc1 22132817 MGRGGSXTFPUFNZ-KRWDZBQOSA-N 367.474 4.175 30 40 FIEB CC(C)(C)c1ccc(C(=O)/N=C2\c3ccccc3CN2c2ncccn2)cc1 26531072 MPHNKGYXYCTGIM-LHLOQNFPSA-N 370.456 4.381 30 40 FIEB Cc1cc(NC(=O)C[C@H](C)c2ccc(C(F)(F)F)cc2)n(CCC#N)n1 58227286 GNJAWQWHTACJHU-LBPRGKRZSA-N 364.371 4.256 30 40 FIEB COc1ccc(/N=C2\NC(=O)/C(=C\c3cc(Cl)ccc3OC)S2)cc1 59433576 DOSVLHLKUJUMLR-MHWRWJLKSA-N 374.849 4.249 30 40 FIEB COc1cc(OC)c(C2=CCN(c3ccc(C#N)cc3F)CC2)c(OC)c1 63508355 APEWEERCAAQZSZ-UHFFFAOYSA-N 368.408 4.017 30 40 FIEB COc1cc(/N=C/c2cccc(OC)c2O)ccc1NC(=O)c1ccco1 102417372 ZWDIHLJWIVPFER-CIAFOILYSA-N 366.373 4.005 30 40 FIEB CCCC(=O)NC(=S)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 408626349 GPYKWCQAMWKHMB-LLVKDONJSA-N 363.552 4.384 30 40 FIEB Cc1ccsc1/C=C1\S/C(=N\c2cccc(C(=O)O)c2C)N(C)C1=O 408938072 ROXSQZGTPBBTOS-FGLCSBSCSA-N 372.471 4.297 30 40 FIEB O=[N+]([O-])c1ccc(/C=N/c2ccc(I)cc2)s1 652057 CTDFKSYSRIHXOD-NTUHNPAUSA-N 358.160 4.012 30 40 FIEB FC(F)(F)c1ccc(Cl)c(NC(=S)N/N=C/c2cccnc2)c1 3314204 MIRVNLPHGQCKLR-DNTJNYDQSA-N 358.776 4.074 30 40 FIEB N#CCSc1nnc(CNc2cccc(Cl)c2)n1-c1ccccc1 4125419 CGHJEWMDYDKTGE-UHFFFAOYSA-N 355.854 4.148 30 40 FIEB Cc1cc(C)c(C#N)c(S[C@H](C)C(=O)Nc2ccc(F)c(F)c2F)n1 5642896 ZMLBDVZUBCRCLA-SNVBAGLBSA-N 365.380 4.107 30 40 FIEB C#CCOc1c(Cl)cc(/C=N/NCc2ccccc2Cl)cc1OC 8811865 AWFNPTMRWJRWSX-SRZZPIQSSA-N 363.244 4.138 30 40 FIEB CCn1cc(/C=C2/Oc3cc(OCC#N)ccc3C2=O)c2cc(OC)ccc21 9421895 XSGXXILLIVRHAH-UFFVCSGVSA-N 374.396 4.188 30 40 FIEB C=CC/N=C/c1ccc2c(C(=O)OCC)c(NC(C)=O)sc2c1Cl 9943025 ZIVSTATZXJBTIN-DJKKODMXSA-N 364.854 4.295 30 40 FIEB CCOc1ccc(/C(C)=N/NCc2ccc(OC)c(OC)c2)cc1OCC 20196763 KZLKSGISTFXNFY-HZHRSRAPSA-N 372.465 4.015 30 40 FIEB CCc1cc(C(=O)O[C@H](C)C(=O)N(CCC#N)c2ccccc2)sc1C 23939146 SBTKQGJKJHNTFJ-CQSZACIVSA-N 370.474 4.111 30 40 FIEB COc1cccc(NC(=S)N/N=C2/CCSc3ccc(F)cc32)c1 36384699 REPMEEIEOOPJNW-HKWRFOASSA-N 361.467 4.021 30 40 FIEB Cc1cc(/N=C\c2cc(Br)c(N(C)C)o2)cc([N+](=O)[O-])c1C 408852973 KEQXVLSUDKATJO-IUXPMGMMSA-N 366.215 4.384 30 40 FIEB CCNC(=S)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 409371686 GBBUCMPYRDVHGY-SSDVNMTOSA-N 370.909 4.161 30 40 FIEB COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2ccccc2C#N)cc1 12911032 GVQLYBWYBLFWCU-NRFANRHFSA-N 363.461 4.123 30 40 FIEB C=CCn1c(-c2ccccc2)nn(CC(=O)Nc2ccccc2C)c1=S 16768600 DEZCLUXUDCIQIV-UHFFFAOYSA-N 364.474 4.214 30 40 FIEB Cc1ccc(/C=N/N=C2\S[C@@H](C)C(=O)N2Cc2ccccc2)c(C)c1 34388893 VLONDOVIFPMYKE-JIOQHACCSA-N 351.475 4.157 30 40 FIEB C=CCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1cc(C)ccc1C 44902304 XGYXNWCQBVVUML-IBGZPJMESA-N 366.461 4.015 30 40 FIEB COc1cc([C@@H](C)NC(=O)N2CCC(C#N)CC2)ccc1OC1CCCC1 57991731 ZKIPURWBWWDDNH-OAHLLOKOSA-N 371.481 4.023 30 40 FIEB N#Cc1ccc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1F 575243151 NCTDNHOHQHWGSR-UHFFFAOYSA-N 367.142 4.348 30 40 FIEB C[C@@H]1CCc2sc(NC(=O)COc3ccc(Cl)cc3)c(C#N)c2C1 1518619 MLWZNTKRNFPOSX-LLVKDONJSA-N 360.866 4.415 30 40 FIEB O=C(Nc1nccs1)c1ccccc1/N=C/c1ccc([N+](=O)[O-])cc1 5945879 ICTJIYXNDCAAAR-YBFXNURJSA-N 352.375 4.054 30 40 FIEB C=CCc1ccc(OCCn2c([C@H](O)CC)nc3ccccc32)c(OC)c1 6745872 QAYBULBFUYICGL-LJQANCHMSA-N 366.461 4.296 30 40 FIEB N#C[C@H]1C(=O)NC(=N)[C@H](c2nc(-c3ccccc3)cs2)C12CCCCC2 6927882 BIPQNHCVEWTGLL-GOEBONIOSA-N 364.474 4.091 30 40 FIEB Cc1cc(C)cc(/N=C2\NC(=O)/C(=C\c3cccc([N+](=O)[O-])c3)S2)c1 9261348 PIHLZOMVYHJQJS-MHWRWJLKSA-N 353.403 4.103 30 40 FIEB C=CCn1c(SCc2noc(C(C)(C)C)n2)nnc1-c1ccoc1C 23075145 MXPNVEIMGMQPGW-UHFFFAOYSA-N 359.455 4.005 30 40 FIEB N=C1S/C(=C\c2ccc(Br)cc2)C(=O)[C@@H]1c1nccs1 35376976 XCFOFMCPHITVKS-YHXJBOQGSA-N 365.277 4.323 30 40 FIEB N=C1S/C(=C\c2ccc(Br)cc2)C(=O)[C@H]1c1nccs1 136259407 XCFOFMCPHITVKS-AAZDMDIYSA-N 365.277 4.323 30 40 FIEB Cc1ccc(Cl)cc1N/N=C1\C(=O)Nc2c1cccc2C(F)(F)F 223742387 DNIISQRYGULKFX-UHFFFAOYSA-N 353.731 4.436 30 40 FIEB CO/N=C(/C[S@](=O)Cc1ccc(Cl)cc1)c1ccc(Cl)cc1 1404668 CHGKZEIVGCVYFW-MHZRJXOASA-N 356.274 4.293 30 40 FIEB CCCO[C@@H](C)OCCC#CC[C@H](C)OC(=O)CC(Cl)(Cl)Cl 1642762 FRMWUTYHVZATCK-QWHCGFSZSA-N 373.704 4.251 30 40 FIEB O=C(Cc1ccccc1)Oc1cccc(C=C2C(=O)c3ccccc3C2=O)c1 2282072 OCEMJEHXBSMHBW-UHFFFAOYSA-N 368.388 4.297 30 40 FIEB C=CCNc1ncnc2c1sc1nc(CC)c3c(c12)CC(C)(C)OC3 2283384 MCDCMVRTTMRBAJ-UHFFFAOYSA-N 354.479 4.251 30 40 FIEB N#Cc1cccc(NC(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)c1 4805499 LSCLWBKRYORBSA-SFHVURJKSA-N 373.416 4.367 30 40 FIEB CC1(C)CC(=O)c2cc(C#N)c(SCc3nc4ccccc4[nH]3)nc2C1 5385261 RGPPGQUYJCBHPL-UHFFFAOYSA-N 362.458 4.277 30 40 FIEB O=C1CCCC2=C1[C@@H](c1cccc(Oc3ccccc3)c1)c1c(O)n[nH]c1N2 12347359 HDKQVSBDSQVZCD-GOSISDBHSA-N 373.412 4.472 30 40 FIEB COc1ccc(C(=O)/C=C/c2cccc(C)c2)cc1CSCC(=O)O 12912710 HNMQAXJKQBWRPK-SOFGYWHQSA-N 356.443 4.218 30 40 FIEB CC(C)c1ccc(CCNC(=O)CNc2ccc(C#N)c(Cl)c2)cc1 32907839 AVMOKPTYDVKWQJ-UHFFFAOYSA-N 355.869 4.106 30 40 FIEB CC(=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(=O)[C@@H]32)C1 1769053 JAZBMNIJZWDVQJ-SKBFNNCWSA-N 372.505 4.265 30 40 FIEB C/[N+]([O-])=C/c1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12 3048700 OPXRGCJJCUXOKP-UYOCIXKTSA-N 353.731 4.257 30 40 FIEB N#C/C(=N\Nc1ccc(Br)cc1)c1nc2ccccc2s1 4194554 BNIBXBMAKYGIHJ-DEDYPNTBSA-N 357.236 4.399 30 40 FIEB CC1(C)CC2=NC(=S)[C@H](C#N)[C@@H](c3ccc([N+](=O)[O-])cc3)C2=C(O)C1 4844156 VGWAAZWZWIXQIV-IUODEOHRSA-N 355.419 4.232 30 40 FIEB COc1ccc(-c2csc(NC(=O)c3cccs3)n2)cc1CC#N 9337729 AUZNBBPZMHXNTE-UHFFFAOYSA-N 355.444 4.199 30 40 FIEB S=C(N/C=N\OCc1c(Cl)cccc1Cl)Nc1ccccc1 12960257 RVSNQZBPMNVSNH-UHFFFAOYSA-N 354.262 4.440 30 40 FIEB Cc1cc(C)cc(OCc2nnc(SCc3ccccc3C#N)o2)c1 20196990 VRSHGECCMNVZTI-UHFFFAOYSA-N 351.431 4.429 30 40 FIEB Cc1ccc(-c2nc(C#N)c(NC[C@@H](c3ccco3)N3CCCC3)o2)cc1 27664471 MWSGKRSGCAYBKZ-SFHVURJKSA-N 362.433 4.364 30 40 FIEB C#CCn1/c(=N/C(=O)c2ccc(C)c(C)c2)sc2cccc(OCC)c21 100910167 VMDXHTVNNXLWBE-DQRAZIAOSA-N 364.470 4.093 30 40 FIEB N#CCC1CCN(C(=O)c2cn(Cc3ccccc3)c3ccccc23)CC1 543837586 HCEZYVFXGDZKNG-UHFFFAOYSA-N 357.457 4.455 30 40 FIEB CCC(=O)Nc1c(C#N)c2nc3ccccc3nc2n1[C@@H](C)c1ccccc1 2277876 JCCSEKPIOMAARE-AWEZNQCLSA-N 369.428 4.414 30 40 FIEB O=C(O)/C(Cl)=C(Cl)/C=N/c1ccc(Oc2ccc(F)cc2)nc1 2567072 MEGFHEOSAVXXKS-CPGYZMDOSA-N 355.152 4.489 30 40 FIEB C=CCSc1nnc([C@H](C)c2ncc(C(F)(F)F)cc2Cl)n1C 3134797 UTQPTSCBCSUSGA-MRVPVSSYSA-N 362.808 4.312 30 40 FIEB CCOc1ccc(N(CCC#N)CC(=O)Nc2ccc(CC)cc2)cc1 3322281 MPRLUPZNVQXJPD-UHFFFAOYSA-N 351.450 4.006 30 40 FIEB C=CCN1C[C@@H](c2nc3ccccc3n2Cc2ccccc2Cl)CC1=O 4385981 SADPRRIEFPCQNX-INIZCTEOSA-N 365.864 4.240 30 40 FIEB C=CCSc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C1=C(CCCC1=O)N2 4436253 GXANLUZZRIGFIA-MRXNPFEDSA-N 372.881 4.232 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2cccc(OC)c2)C[C@H]1c1ccc(F)cc1 4919189 MTMRFZDDSPMDJN-PZJWPPBQSA-N 368.404 4.154 30 40 FIEB Cc1sc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)c(C#N)c1-c1ccccc1 5175474 JEISVYDKXAUSCZ-HUUCEWRRSA-N 366.442 4.201 30 40 FIEB Cc1cccc(/N=C2\NC(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)S2)n1 6199648 QMKLVHVBJIHFFL-CYBMUJFWSA-N 366.273 4.159 30 40 FIEB C=CC[C@@](O)(c1ccc(CC)cc1)[C@@H](CN1CCOCC1)c1ccccc1 26958575 YZVKMGUVVHJPGK-BJKOFHAPSA-N 365.517 4.129 30 40 FIEB Cc1ccc2ncc(S(=O)(=O)c3ccc(F)c(C#N)c3)c(Cl)c2c1 72329832 PSWXMIBQMLLHKL-UHFFFAOYSA-N 360.797 4.040 30 40 FIEB COc1ccc(/C=C2\S/C(=N/Cc3cc(C)cc(C)c3)NC2=O)c(C)c1 83312504 PPMUITMQOPGPNO-ODLFYWEKSA-N 366.486 4.381 30 40 FIEB Cc1ccccc1NC[C@H](O)CON=C1c2ccccc2-c2ccccc21 95117274 CUHHSYQQKWESKM-KRWDZBQOSA-N 358.441 4.217 30 40 FIEB C=CCn1c(SCc2ccccc2Cl)nc(C(F)(F)F)cc1=O 1403052 VNDNNXUSCQNICI-UHFFFAOYSA-N 360.788 4.394 30 40 FIEB N#Cc1c(NC(=O)c2cc(-c3cccc(O)c3)on2)sc2c1CCCC2 4881102 DLYXSGJWGPOSPJ-UHFFFAOYSA-N 365.414 4.111 30 40 FIEB C=CCNc1oc(-c2ccc(C)cc2)nc1S(=O)(=O)c1ccc(F)cc1 12419208 UAOTWDKOVJIPRR-UHFFFAOYSA-N 372.421 4.220 30 40 FIEB C=CCN1C(=O)/C(=C\C=C\c2ccc(Br)cc2)SC1=S 113830706 AIRQCJFLHVNYBG-HJSZHNSDSA-N 366.305 4.393 30 40 FIEB C#CCOC(=O)/C=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(OC)c1 226336025 ZJZRIGFKHIQUJA-RMKNXTFCSA-N 374.795 4.256 30 40 FIEB Cc1c(/N=C/c2ccccc2I)cccc1C(=O)O 408552805 VNYRHXRRXXOCPT-RQZCQDPDSA-N 365.170 4.048 30 40 FIEB C[C@]12CC[C@@](O)(C#CCl)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](O)CC[C@H]12 2049238447 WEJOBCNWKXEZFL-GEIPHRJASA-N 350.930 4.321 30 40 FIEB N#Cc1nc(COc2ccc(Cl)cc2Cl)oc1NC[C@H]1CCCO1 2409064 GVMWMBRJPZGJLJ-LLVKDONJSA-N 368.220 4.023 30 40 FIEB N#Cc1ccc(OCCSc2nnc(C3CC3)n2-c2ccccc2)cc1 2626902 NHUWLDBHTDGOHL-UHFFFAOYSA-N 362.458 4.187 30 40 FIEB CCCCOC(=O)c1cc(-c2ccc(/C=N/n3cnnc3)o2)ccc1Cl 2734283 GIAVHQMVBSARBR-LSHDLFTRSA-N 372.812 4.031 30 40 FIEB CNc1ccc([C@@H](c2ccc(N(C)C)cc2)C2C=CC(=[N+](C)C)C=C2)cc1 5140999 NISFARXTRMKWGF-XMMPIXPASA-N 360.525 4.382 30 40 FIEB CCCC/N=C1\S/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)N1CCCC 5552255 CQEQQGWCHOPFPC-PIVKVMHHSA-N 361.467 4.467 30 40 FIEB CCOc1ccc(/N=C2\NC(=O)/C(=C/c3cc(Cl)ccc3O)S2)cc1 5872831 QYLSUJSTDNFCNP-YBEGLDIGSA-N 374.849 4.336 30 40 FIEB CC1=C(C(=O)c2ccccc2)[C@@H](c2ccccc2OC(C)C)NC(=S)N1 6202432 IYGABDWCMVZPIY-LJQANCHMSA-N 366.486 4.150 30 40 FIEB N#Cc1ccccc1COC(=O)c1ccccc1NC(=O)c1ccccc1 6864003 AQTMCNYLLRFNGZ-UHFFFAOYSA-N 356.381 4.168 30 40 FIEB CC(C)n1ncc2c(C(=O)Nc3ccc(C#N)cc3)cc(-c3ccco3)nc21 10510528 FPGLCEKODLWNPX-UHFFFAOYSA-N 371.400 4.396 30 40 FIEB CCN(CC)c1ccc(/N=C2/C(C)=Nn3c2nnc3-c2ccccc2)c(C)c1 16678398 UEGXMDCXYKYFJC-ATJXCDBQSA-N 372.476 4.458 30 40 FIEB N#Cc1ccccc1-c1ccc(Cn2ncc(Cl)c(Cl)c2=O)cc1 22415223 XCCBVXUAAYMCSR-UHFFFAOYSA-N 356.212 4.137 30 40 FIEB CCn1c(C)cc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)c1C 106374656 PCWMIINSOALNEY-BUVRLJJBSA-N 370.456 4.384 30 40 FIEB C[C@@H]1CCc2sc(NC(=O)[C@H]3CCC(=O)c4cccn43)c(C#N)c2[C@@H]1C 333915804 ZHSANKJETJMIRM-LALPHHSUSA-N 367.474 4.263 30 40 FIEB C=CCSc1nnc(NC(=O)Cc2c(Cl)cccc2Cl)s1 2616547 XPSGHZQRNAAYFS-UHFFFAOYSA-N 360.291 4.304 30 40 FIEB C=CCc1cccc2c1O[C@@H]1CCCC(=O)[C@H]1[C@@H]2C1=C(O)CCCC1=O 5290779 VCRRYSIVQDRCIM-SVFBPWRDSA-N 352.430 4.194 30 40 FIEB COc1ccc2c(c1)-c1nc(/N=C/c3ccc([N+](=O)[O-])o3)sc1CC2 6182344 ZJWAGWXEQUKJTO-GIJQJNRQSA-N 355.375 4.169 30 40 FIEB Cc1noc2c1[C@@H](c1ccc(N(C)C)cc1)C1=C(CC(C)(C)CC1=O)N2 13122302 QHXQDXOZJMKXER-GOSISDBHSA-N 351.450 4.250 30 40 FIEB CC1=NN(c2ccccc2C)C(=O)/C1=N/Nc1ccc(Cl)c(Cl)c1 18192738 DALQIMAUOUADGW-LTGZKZEYSA-N 361.232 4.492 30 40 FIEB CCOc1ccc(/C=C2/Oc3c(ccc(O)c3CN3CCCC3)C2=O)cc1 37857691 YBCPVRWNIMMFBU-DEDYPNTBSA-N 365.429 4.003 30 40 FIEB O=C1/C(=C/c2c[nH]c3ccccc23)Oc2c1ccc(O)c2CN1CCCCC1 2338297 BYKPYTIOLBIFST-MTJSOVHGSA-N 374.440 4.476 30 40 FIEB C/C(=N/Oc1cc(O/N=C(/C)c2ccccc2)nc(C)n1)c1ccccc1 4728540 ZBMGYGOGZFVGLS-URXAUHHJSA-N 360.417 4.391 30 40 FIEB C=CCn1c(C)cc(C2=NN(C)/C(=N/Cc3ccccc3)SC2)c1C 6201869 DESMTTXDTCBKRT-MRCUWXFGSA-N 352.507 4.230 30 40 FIEB CC1(C)CC(=O)[C@@H](C[C@@H]2COC(C)(C)C/C2=N\Nc2ccccc2)CO1 12861409 HPBUPLSCXWKXPB-IFLRXUOCSA-N 358.482 4.044 30 40 FIEB biogenic O=C1CS/C(=N\N=C\c2cccc3ccccc23)N1Cc1ccccc1 13583228 MPGUDOVOIJVNCH-ISURTVLTSA-N 359.454 4.305 30 40 FIEB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OCC[N+](C)(C)CC(=O)OC1CCCCC1)C2 100725769 KYWMVDGDOMBOTE-JLMWRMLUSA-N 366.566 4.170 30 40 FIEB CN(C(=O)c1ccn(-c2ccccc2Cl)n1)c1cc(Cl)ccc1C#N 156779317 LOJLRHWMJOUKGW-UHFFFAOYSA-N 371.227 4.327 30 40 FIEB CC(C)(C)c1cc(NC(=O)C[C@@H](n2cccn2)C(F)(F)F)c(C#N)s1 598825484 JMIHMXVHXZGPND-GFCCVEGCSA-N 370.400 4.246 30 40 FIEB N#C[C@H](NC(=O)c1ccccc1-n1cccc1)c1cccc(C(F)(F)F)c1 1536354067 BMUXBKBLIDBWCN-KRWDZBQOSA-N 369.346 4.491 30 40 FIEB O=C1NC(c2ccccc2)=C(C(=O)c2ccccc2)[C@H](c2ccccc2)N1 1506897 KOBQZTXEIHUDQO-FQEVSTJZSA-N 354.409 4.335 30 40 FIEB COc1ccc(/C=C/C(=O)c2ccccc2)cc1Cn1nnc2ccccc21 4836807 TWOMASWBGWYCSC-ACCUITESSA-N 369.424 4.384 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2cccc(OC)c2)C[C@@H]1c1ccc(F)cc1 4919202 MTMRFZDDSPMDJN-TZIWHRDSSA-N 368.404 4.154 30 40 FIEB CC[C@]1(C)Cc2ccccc2-c2nc(N/N=C/c3ccccc3)[nH]c(=O)c21 26895794 RDEQVHDBEIGSQQ-ZZAWEDPDSA-N 358.445 4.107 30 40 FIEB COc1cc(C(=O)/C=C/c2ccc(OC(C)C)cc2)cc(OC)c1OC 40139561 YQHOTYMHCFEZPB-DHZHZOJOSA-N 356.418 4.396 30 40 FIEB C=CCN(C(=O)c1cc(C(C)C)nn1C)c1nc(-c2ccccc2)cs1 81812837 UYJNRKDVRFGHCA-UHFFFAOYSA-N 366.490 4.500 30 40 FIEB N#Cc1cccc(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)c1 225904207 ZYACBEZCUWSCRW-QGZVFWFLSA-N 353.853 4.062 30 40 FIEB C/C(=C\C(=O)c1cn(CCN2CCOCC2)c2ccccc12)C(C)(C)C 299817205 MBMNSYXHFHEPMX-BMRADRMJSA-N 354.494 4.149 30 40 FIEB in-vitro OC(Cn1c(C2CCCCC2)nc2ccccc21)=Nc1nncn1C1CC1 329133022 YRJQRQQFQDYYJZ-UHFFFAOYSA-N 364.453 4.299 30 40 FIEB C=C[C@@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccccn3)c2C)C1=O 409235429 PUHOMZRFWOXENG-COOUDCDJSA-N 353.447 4.100 30 40 FIEB CC[C@@H]1CCc2c(sc(NC(=O)c3ccc4c(c3)OCO4)c2C#N)C1 2746831 BPPDYNCVXRGFNG-LLVKDONJSA-N 354.431 4.116 30 40 FIEB O=[N+]([O-])c1cccc(/C=N/Nc2nc(-c3cccnc3)nc3ccccc23)c1 4856052 YRGCIZXDSOZSAW-WSDLNYQXSA-N 370.372 4.046 30 40 FIEB Cc1ccc(-n2c(SCC#N)nc3c(-c4ccccc4)c[nH]c3c2=O)cc1 16841332 UDOCXDMFSJJBAC-UHFFFAOYSA-N 372.453 4.305 30 40 FIEB CCOC(=O)c1c(/N=C\c2ccc3c(c2)OCO3)sc2c1CCCC2 18066862 PRKXYANNDZFESE-JMIUGGIZSA-N 357.431 4.283 30 40 FIEB C[C@H](Sc1ncnc2ccsc12)C(=O)N(CCC#N)c1ccccc1 26956790 NTQSPQDZDORQRR-ZDUSSCGKSA-N 368.487 4.119 30 40 FIEB O=C1C(=O)N(Cc2ccccc2)[C@@H](c2ccccc2)/C1=C(\O)c1ccccc1 104100319 GRIXWAPABYNXIF-MRJHHRETSA-N 369.420 4.309 30 40 FIEB COc1cc([N+](=O)[O-])cc(C=Nc2ccc(N3CCCCC3)cc2)c1O 254700236 KQZHNSMFCCTOOF-UHFFFAOYSA-N 355.394 4.050 30 40 FIEB Cc1ccc(/C=C2\SC(=NC(=O)c3ccc(Cl)cc3)NC2=O)cc1 409147964 XGQOEEMYZUFMAC-GDNBJRDFSA-N 356.834 4.049 30 40 FIEB COc1cc(C(F)(F)F)cc(C(F)(F)F)c1B1OC(C)(C)C(C)(C)O1 669367740 GEXCNGRGMUVGHU-UHFFFAOYSA-N 370.098 4.032 30 40 FIEB COc1cc(/C=C2\Oc3c(ccc4ccccc34)C2=O)cc([N+](=O)[O-])c1O 1775965070 UAPLGEFYYOUWJG-YVLHZVERSA-N 363.325 4.078 30 40 FIEB CC(C)(C)C(=O)[C@@H]1[C@H](c2ccco2)C(C#N)(C#N)[C@H]2C=Cc3ccccc3N12 5091902 YHJDCWDKXVQGJK-AABGKKOBSA-N 371.440 4.296 30 40 FIEB CO/N=C1/C[C@H](C(C)C)Cc2nnc(-c3ccc(Br)cc3)cc21 5189336 JGUIBMGZBORCCF-LKOLJXARSA-N 374.282 4.475 30 40 FIEB Cc1ccc(-c2csc3ncn(Cc4cccc(C#N)c4)c(=O)c23)cc1 5318231 DTFISSCTZMTULK-UHFFFAOYSA-N 357.438 4.353 30 40 FIEB CC[C@@H]1CCc2c(sc(NC(=O)c3c(OC)cccc3OC)c2C#N)C1 5476559 MAIWFPINVAXDJW-GFCCVEGCSA-N 370.474 4.404 30 40 FIEB Cc1ccc2nc(SCC(=O)Nc3cc(Cl)ccc3C#N)[nH]c2c1 6908885 FXHBLMGJMNUCEI-UHFFFAOYSA-N 356.838 4.127 30 40 FIEB C=CCNc1oc(-c2ccccc2C)nc1S(=O)(=O)c1ccc(C)cc1 12419214 YAYFDLROOCIMDS-UHFFFAOYSA-N 368.458 4.389 30 40 FIEB Cc1ccc(NC(=O)Cn2cc(C#N)c3ccccc32)c(Br)c1 51319173 VMDSUJVZTUQPMA-UHFFFAOYSA-N 368.234 4.223 30 40 FIEB CCn1nc(C)c(C(=O)/C=C/c2cc(Br)ccc2OC)c1C 58100658 OTOMHPWLQLCKAV-SOFGYWHQSA-N 363.255 4.187 30 40 FIEB CC/N=C1/S/C(=C/c2cc(Cl)c(OC)c(OCC)c2)C(=O)N1CC 408928534 CGICYNJZTWLNOT-KOJZBUGZSA-N 368.886 4.059 30 40 FIEB CC(C)Cc1ccc([C@@H](C)NC(=O)c2ccc(NC(=O)CC#N)cc2)cc1 3353473 FWHDTJUFUKLAES-MRXNPFEDSA-N 363.461 4.228 30 40 FIEB O=[N+]([O-])c1ccccc1-c1ccc(/C=N/Nc2ncnc3ccccc23)o1 4536930 FPGABNCSHCNLNO-SSDVNMTOSA-N 359.345 4.244 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(C)cc2)C[C@@H]1c1ccc(OC)cc1 4919974 HZIDTNRPWCDAIC-IRLDBZIGSA-N 364.441 4.323 30 40 FIEB C=C(C)Cn1c([C@H]2CC(=O)N(c3cccc(OC)c3)C2)nc2ccccc21 5209412 XEHFZIMBSZZUPP-INIZCTEOSA-N 361.445 4.142 30 40 FIEB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=N/Nc1cccc(C(=O)O)c1 6588510 UWLWOVKLPSQZRY-UFFVCSGVSA-N 372.787 4.117 30 40 FIEB COc1ccc(C(=O)/C=C/c2cc3c(cc2Br)OCO3)cc1 7742012 NHHQEPFXBAFQNK-QPJJXVBHSA-N 361.191 4.083 30 40 FIEB CCCCCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1OCC 8407972 YGQXPWIPQVPTSY-LJQANCHMSA-N 374.481 4.227 30 40 FIEB CCCOc1ccccc1C1C2=C(CCCC2=O)NC2=C1C(=O)CCC2 19972678 LZCUCTUXEAFQAQ-UHFFFAOYSA-N 351.446 4.176 30 40 FIEB CC(=N\c1ccc(Br)cc1)/C(=N\O)C(=O)Nc1ccccc1 45920360 JNEZNNSSJXECHT-VPMBNJIQSA-N 360.211 4.010 30 40 FIEB Cc1cccc(C)c1OC[C@@H](O)CON=C1c2ccccc2-c2ccccc21 95117253 IRMRPVOQXVIEAN-GOSISDBHSA-N 373.452 4.493 30 40 FIEB O=S(=O)(Nc1cccnc1)c1ccc(/N=C/c2ccccc2Cl)cc1 100390322 ZEQHKUYBVIKJKJ-CIAFOILYSA-N 371.849 4.286 30 40 FIEB Cc1c(/C=N/c2ccccc2[N+](=O)[O-])c(O)n2c(nc3ccccc32)c1C#N 4354551 LNNAEWITUASKOV-SSDVNMTOSA-N 371.356 4.032 30 40 FIEB Cc1ccccc1-n1c(N/N=C/c2ccc(F)cc2)nc2ccccc2c1=O 4578499 HNYRZMLXRFVCSP-ZVHZXABRSA-N 372.403 4.279 30 40 FIEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)S2)c(C)c1 12032559 BZYVXKYCDZSWOS-YBEGLDIGSA-N 353.403 4.103 30 40 FIEB O=C1ON=C(c2ccc(Cl)cc2Cl)/C1=C/c1cccc([N+](=O)[O-])c1 12428871 KJUVMTSVSIINFW-QPEQYQDCSA-N 363.156 4.246 30 40 FIEB C=CCc1cc(/C=N/c2ccc(C)c(C)c2)cc(OC)c1OCC(=O)O 59679608 OIDJEBRLYMBRED-WSDLNYQXSA-N 353.418 4.255 30 40 FIEB Cc1cc([C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)n[nH]1 95677050 QNIZRURLNRWOKX-RXMQYKEDSA-N 366.130 4.210 30 40 FIEB CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(=O)C[C@H]2c1cccnc1 1076697 PAWDUGUVZTXUJY-KRWDZBQOSA-N 364.420 4.384 30 40 FIEB N#Cc1c(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)sc2c1CCCC2 2779326 HZALCGOWUYGEAV-UHFFFAOYSA-N 374.281 4.270 30 40 FIEB CN1CCN(/N=C/c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)CC1 3180080 STUMZWFIKLIRKP-SSDVNMTOSA-N 371.790 4.200 30 40 FIEB O=C1Oc2ccccc2[C@@H]1C/C(=N\Nc1ccccc1)c1ccccc1O 5832269 WUJJORNPCJIZED-SMKFHGBISA-N 358.397 4.301 30 40 FIEB COCc1cc(C)nc(N/N=C/c2c(OC)ccc3ccccc23)c1C#N 59433703 JNGMIFWHOZSKIG-FSJBWODESA-N 360.417 4.016 30 40 FIEB CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)/C1=N/Nc1ccccc1 100005505 RNFONTXZJTVXKM-OQKWZONESA-N 361.430 4.001 30 40 FIEB C#C[C@]1(O)CC[C@@]2(C)[C@H](CC[C@@H]3[C@H]2CC[C@@]2(C)[C@@H]3CCC23OCCO3)C1 253617357 VCQVEQNCPAVVLX-CHKVQHFGSA-N 358.522 4.137 30 40 FIEB COc1cc(/C=C2\SC(=Nc3cc(C)ccc3OC)NC2=O)ccc1C 408874840 BKANYRUSPUDXHF-WQRHYEAKSA-N 368.458 4.212 30 40 FIEB COc1cc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc(OC)c1OC 4616601 QPXCPJRDFMJQCV-GIJQJNRQSA-N 350.758 4.025 30 40 FIEB COc1ccc(Nc2cc(C)c(C#N)c3nc4ccccc4n23)c(OC)c1 5125995 HWQFRCQWOPDLJW-UHFFFAOYSA-N 358.401 4.428 30 40 FIEB C[C@H]1CCC[C@H](C)N1/C(=N/S(=O)(=O)c1ccccc1)c1ccccc1 12528869 OQWFVPCFUCKOEN-VCASGEJDSA-N 356.491 4.085 30 40 FIEB C[C@@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1cccc(Oc2ccccc2)c1 14607501 LRSNRDALZHUQSJ-QKKBWIMNSA-N 372.428 4.338 30 40 FIEB COc1cc(O)c(/C=N\N=C2c3ccccc3-c3ccccc32)c(OC)c1 16921136 HNBIMHWMFCDQJK-QRVIBDJDSA-N 358.397 4.261 30 40 FIEB CCc1noc(C)c1C(=O)N1CCCS/C1=N\c1ccccc1Cl 102885846 VDRUXJDTIBDGQS-ZPHPHTNESA-N 363.870 4.466 30 40 FIEB C[C@]12CC[C@@H]3[C@H]([C@@H]4C[C@@H]4C4=CC(=O)CC[C@@]43C)[C@@H]1[C@H]1C[C@@H]1[C@]21CCC(=O)O1 253535714 METQSPRSQINEEU-MGWBLTQMSA-N 366.501 4.306 30 40 FIEB CN(C)/C=N/c1ccc(OC(=O)c2cc(-c3ccc(F)c(F)c3)on2)cc1 1775975262 GFKISPRJMLVNJS-SSDVNMTOSA-N 371.343 4.060 30 40 FIEB N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)O)cc2)cc1 990865 NZDSLAZGOHKGCW-RTBURBONSA-N 364.401 4.180 30 40 FIEB Cc1ccc(-c2nnc(SCC#CCOC(=O)c3cccs3)o2)cc1 2374503 NYKYLZXPBILKIB-UHFFFAOYSA-N 370.455 4.059 30 40 FIEB CCc1ccccc1[C@@H](O)C(O)(C#Cc1ccccc1)C#Cc1ccccc1 3764809 JITIAFFMVXWQLD-RUZDIDTESA-N 366.460 4.117 30 40 FIEB CC(C)[C@@H]1C/C(=N\O)c2cc(-c3ccc(Br)cc3)nnc2C1 5189406 XJPKMJVMPZRUOJ-VHJQFCBJSA-N 360.255 4.303 30 40 FIEB C=CCn1c(S[C@@H](C)C(=O)c2ccc(F)cc2)nc2ccsc2c1=O 12636055 BGRJGTWAIVGUCJ-NSHDSACASA-N 374.462 4.147 30 40 FIEB Cc1cccc(C)c1/N=C1\S/C(=C\c2ccc(C(=O)O)cc2)C(=O)N1C 33293560 PQTRRCLGTFNLFQ-HBDKKIGRSA-N 366.442 4.235 30 40 FIEB CCN(CC(=O)N[C@@H](C)c1ccccc1Cl)[C@@H](C)c1ccc(C#N)cc1 40135380 GRHPYHKBBVQXFQ-HOTGVXAUSA-N 369.896 4.472 30 40 FIEB CC(C)CCOc1ccc(CN2C(=O)/C(=N\O)c3c(Cl)cccc32)cc1 46085024 ZUIGGABGUYIMTQ-QOCHGBHMSA-N 372.852 4.490 30 40 FIEB C=C(C)COc1cccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)CC)c1 219780904 NWXZWMHJZWXVRT-INIZCTEOSA-N 366.461 4.422 30 40 FIEB CC1=NN(c2ccccc2)C(=O)[C@@H]1[C@@H](c1ccccc1Cl)C(C#N)C#N 1024995 WIJSAXPPEWLGOQ-RBUKOAKNSA-N 362.820 4.126 30 40 FIEB O=[N+]([O-])c1cc(/C=N\n2c(C3CCCCC3)n[nH]c2=S)ccc1Cl 1475377 WQIZGUINPGGJCO-MFOYZWKCSA-N 365.846 4.432 30 40 FIEB C[C@](O)(C#Cc1ccccc1)c1ccc([C@@](C)(O)C#Cc2ccccc2)cc1 2202210 JJWICWWJUHELCN-UIOOFZCWSA-N 366.460 4.205 30 40 FIEB C=CCn1c(CCCNC(=O)c2ccc(Cl)cc2)nc2ccccc21 2721550 VNWWEBWMXIJOCB-UHFFFAOYSA-N 353.853 4.238 30 40 FIEB C=CCn1c(SCC(=O)NC2CCCCC2)nnc1C1CCCCC1 3485660 BKBNDWGALWKJLG-UHFFFAOYSA-N 362.543 4.053 30 40 FIEB C=CCn1c(S[C@H](C)C(=O)Nc2ccc(F)cc2)nc2ccccc21 4492820 QVISJDQLKSGBBI-CYBMUJFWSA-N 355.438 4.481 30 40 FIEB C=CCNC(=O)c1c(NC(=O)c2ccccc2C)sc2c1CCCC2 5027479 MNWVNLLXHLWQSG-UHFFFAOYSA-N 354.475 4.103 30 40 FIEB Cc1ccc(-n2c(SC[C@H](C#N)CCC#N)nnc2-c2ccncc2)cc1 12523351 PMOQPLJUEBXIRO-INIZCTEOSA-N 374.473 4.173 30 40 FIEB COc1ccc(CN/N=C/c2cc(Cl)ccc2OC(C)C)cc1OC 20196311 GEOHSNAWGAWFIC-WSDLNYQXSA-N 362.857 4.268 30 40 FIEB COc1ccccc1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 32292029 LXASHNFAHQZSFS-UHFFFAOYSA-N 358.397 4.398 30 40 FIEB Cc1cc(C)c(C#N)c(SCc2nc(O)c3oc4ccccc4c3n2)n1 61141269 QTTOVJDHQVQGLY-UHFFFAOYSA-N 362.414 4.257 30 40 FIEB CCCCCCCCN(CCO)CCN(CCO)CCCCCCCC 100925695 FCHOFEOOSFOXJW-UHFFFAOYSA-N 372.638 4.296 30 40 FIEB COc1cc(C)c(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc1OC 408547953 BANDUGYHPIOWTQ-WQRHYEAKSA-N 368.458 4.212 30 40 FIEB C=CCn1c(=S)sc2c(=O)n(Cc3c(F)cccc3Cl)cnc21 6589963 ZLJIIIUCHUIOBZ-UHFFFAOYSA-N 367.858 4.016 30 40 FIEB N#Cc1c2c(c(N/N=C\c3cccs3)n3c1nc1ccccc13)CCC2 8706573 CASHYJYBCCTKED-UUYOSTAYSA-N 357.442 4.355 30 40 FIEB C=CCNc1oc(-c2ccc(C)cc2)nc1S(=O)(=O)c1ccc(C)cc1 12419209 WYNAPLQOGLRKHB-UHFFFAOYSA-N 368.458 4.389 30 40 FIEB CC(C)c1cc(=O)oc2cc(OC/C(O)=N/C3(C#N)CCCCC3)ccc12 14094636 CDDHVYZVBZHWCO-UHFFFAOYSA-N 368.433 4.478 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccsc2)C[C@@H]1c1ccccc1OC 69374830 FYEOJSDUEKFCBA-VQIMIIECSA-N 356.443 4.076 30 40 FIEB CCc1n[nH]c(=S)n1/N=C/c1ccc(OCc2ccc(F)cc2)cc1 82374959 NYQSGWKZPWHMFB-RGVLZGJSSA-N 356.426 4.103 30 40 FIEB C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 106099575 RUMSCAMATHWSDW-LSDHHAIUSA-N 369.962 4.220 30 40 FIEB CSc1nc2c(-c3ccccc3)c(Cc3ccccc3)nn2c(N)c1C#N 215881682 LMRAQRJAOJHABE-UHFFFAOYSA-N 371.469 4.163 30 40 FIEB C=CCn1c(N)c(C(=O)Nc2ccc(C)c(C)c2)c2nc3ccccc3nc21 2257159 GICGDODFUUVQPY-UHFFFAOYSA-N 371.444 4.222 30 40 FIEB CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@](C)(O)C[C@]12C 4721194 NVFLFMSIUUPFBG-XMYKTDNUSA-N 358.522 4.330 30 40 FIEB in-vitro O=C(/C=C/c1coc2ccccc2c1=O)c1ccc(Br)cc1 5787970 AQXAMDTXSACVFN-JXMROGBWSA-N 355.187 4.452 30 40 FIEB O=C(O)c1nc(Cl)c(Cl)c(N/N=C/c2cccs2)c1Cl 6226216 WFHHMEWVVOXYQB-SYZQJQIISA-N 350.614 4.248 30 40 FIEB C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC(c2c[nH]c3ccccc23)CC1 10140261 YCBGHOUNPWPPJA-MRXNPFEDSA-N 372.472 4.246 30 40 FIEB C=CCNC(=O)c1ccccc1NC(=O)COc1cc(C)ccc1C(C)C 13995722 YOFVPPQMNZRVIT-UHFFFAOYSA-N 366.461 4.052 30 40 FIEB O=C1C=C(O/C=C/C(C(F)(F)F)C(F)(F)F)C(=O)c2ccccc21 16951478 LKCDUGIIEXOUAC-AATRIKPKSA-N 350.214 4.221 30 40 FIEB C=CCc1cc(/C=C2\SC(=N)[C@@H](c3nccs3)C2=O)cc(OC)c1O 33739520 FURRKIOIDLSMNH-AVBUHKIUSA-N 372.471 4.004 30 40 FIEB C=CCn1c(-c2ccc(C)cc2)cnc1SCC(=O)Nc1nccs1 44085723 PLFBPZVJPCNSJZ-UHFFFAOYSA-N 370.503 4.232 30 40 FIEB CCOc1cc(C#N)ccc1OCc1ccc(F)c(Br)c1 48022493 GNKDTKWNBGZZHA-UHFFFAOYSA-N 350.187 4.438 30 40 FIEB Clc1ccc(CON=C2CCC3(CC2)OCCO3)c(Br)c1 95959495 WFQLZHUBPOPDSC-UHFFFAOYSA-N 374.662 4.292 30 40 FIEB CC(C)c1cc(C(=O)Nc2cccc(C#N)c2)nc(N2CCCCCC2)n1 96192620 QJIMMCWCGNSSAO-UHFFFAOYSA-N 363.465 4.104 30 40 FIEB COc1cc(/C=C2/CCc3[nH]c4ccc(F)cc4c3C2=O)cc(OC)c1O 97029945 IZWYMRSNHKJDMF-GHXNOFRVSA-N 367.376 4.242 30 40 FIEB C=CCSc1nnc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)s1 222745209 KXUBWQGROKSEIB-CYBMUJFWSA-N 363.508 4.147 30 40 FIEB Cc1csc(/N=C/c2ccc(Br)c([N+](=O)[O-])c2)c1C#N 1434018 USMKMLYKOOSUEW-OMCISZLKSA-N 350.197 4.350 30 40 FIEB COc1cc(OC)cc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c1 1965159 FYRSKQJHINYFFU-LLVKDONJSA-N 356.447 4.014 30 40 FIEB CCCN1C(=S)SC(C)(C)[C@H]1/[N+]([O-])=C/c1c(F)cccc1Cl 2260768 HNDFCBXEWMFRKH-JFPGXGMNSA-N 360.907 4.257 30 40 FIEB Cc1cc(N/N=C/c2cccc(Cl)c2)nc(NCc2ccccc2)n1 4837322 XZCQCHRLIZPEIN-LPYMAVHISA-N 351.841 4.497 30 40 FIEB C=CCN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1 5746289 ZKSASFTYKGDWKJ-UHFFFAOYSA-N 366.280 4.139 30 40 FIEB CC(C)(C)OC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O 6262586 XNOVHMJYISVBBK-ZDLGFXPLSA-N 370.376 4.162 30 40 FIEB COc1cc(/C=C2/C(=O)ON=C2C)ccc1OCc1ccccc1Cl 6955340 AIHILTZJZOJVPC-OQLLNIDSSA-N 357.793 4.244 30 40 FIEB CC(=O)Nc1cccc(/C(C)=N/Nc2ncnc3c2oc2ccccc23)c1 7901578 BBJNQUABTJBZLS-WYMPLXKRSA-N 359.389 4.171 30 40 FIEB O=C(C1=CN(c2ccccc2)c2ccccc2S1(=O)=O)c1ccccc1 32984099 HLRWJLVZQZMPKQ-UHFFFAOYSA-N 361.422 4.336 30 40 FIEB N#CCCN(C(=O)CN1CCC[C@H]1c1ccccc1Cl)c1ccccc1 48289360 UOQQFTSWTMWOLC-FQEVSTJZSA-N 367.880 4.424 30 40 FIEB CCCN(Cc1ccc(C#N)cc1)Cn1ncn(-c2ccccc2)c1=S 54515878 YDEBXGOHTRWTLP-UHFFFAOYSA-N 363.490 4.145 30 40 FIEB Cc1ccc(-c2nc(CC(=O)NC3(C#N)CCCCCCC3)cs2)o1 78597171 KCPZQAAOJRCALR-UHFFFAOYSA-N 357.479 4.377 30 40 FIEB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc(-n2cccc2)cc1 102147011 QSUSONLONIGRQR-IBGZPJMESA-N 367.408 4.472 30 40 FIEB CCc1ccc2c(c1)/C(=N/Nc1ccc(Br)c(C)c1)C(=O)N2 223726454 VKBBKGNBAALUQD-UHFFFAOYSA-N 358.239 4.088 30 40 FIEB CC1(C)C[C@@H](C(=O)N2C[C@@H](C#N)[C@H](c3ccccc3)C2)c2ccccc2O1 334109534 AMTXWYQISJXDBU-RLLQIKCJSA-N 360.457 4.097 30 40 FIEB COc1cc(C)c(/C=C2\SC(=Nc3ccccc3C)NC2=O)cc1OC 408548650 KLISYRCXPLDARM-WQRHYEAKSA-N 368.458 4.212 30 40 FIEB C=CCn1c(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)nc2ccccc21 4492925 OEYFATUTNHLGOE-CYBMUJFWSA-N 362.458 4.312 30 40 FIEB N#Cc1ccc(-c2ccccc2)nc1SCC(=O)Nc1cccc(F)c1 8782346 JBLWXUTZBHEYNV-UHFFFAOYSA-N 363.417 4.490 30 40 FIEB CC(C)c1ccc(-c2nc(C(=O)NCC#Cc3ccccn3)cs2)cc1 89893455 MIFAAKSXHVHLDI-UHFFFAOYSA-N 361.470 4.110 30 40 FIEB CCOC(=O)c1sc(=S)n(C)c1/N=C(\O)c1ccccc1Cl 2349224 MWKVDANJWBCUPQ-UHFFFAOYSA-N 356.856 4.282 30 40 FIEB C=CCc1ccccc1OC[C@@H](O)CN1CCC(Cc2ccccc2)CC1 3865303 DJXJCBXVPWDVMI-QHCPKHFHSA-N 365.517 4.110 30 40 FIEB CCOc1cccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1O 5445269 HPYDAUAICRQFJM-AWQFTUOYSA-N 369.299 4.164 30 40 FIEB C=CCn1c(C)nnc1SCC(=O)Nc1ccccc1-c1ccccc1 6581861 NILQXVDSKGABAP-UHFFFAOYSA-N 364.474 4.170 30 40 FIEB O=C1C[C@@H](c2ccc(F)cc2F)C2=C(C[C@H](c3ccc(F)cc3)CC2=O)N1 6820311 WKVWTEXFFVVCRM-LRDDRELGSA-N 371.358 4.108 30 40 FIEB Cc1ccccc1SCC(=O)NCCSCc1ccccc1C#N 7649077 IWMYFBRFGWAPRZ-UHFFFAOYSA-N 356.516 4.008 30 40 FIEB CC(C)n1ncc2c(C(=O)Nc3sccc3C#N)cc(C3CC3)nc21 7985404 MYMRLJWWPJTPLH-UHFFFAOYSA-N 351.435 4.075 30 40 FIEB C=CCn1c(C)cc(-c2csc(NC(=O)c3cc(C(C)=O)c[nH]3)n2)c1C 10256460 GXDVESIORCQNIL-UHFFFAOYSA-N 368.462 4.197 30 40 FIEB N#CCCN(CCC#N)C(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 12620402 NNDRJAUOGCWNIV-MGAZVUHYSA-N 361.489 4.181 30 40 FIEB C=CCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cccc2ccccc12 13685441 XESYRUKEJHJDCN-MRXNPFEDSA-N 374.440 4.162 30 40 FIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2)cc1 17245812 DPWRSMMXBGISFS-IBGZPJMESA-N 374.396 4.074 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccsc2)C[C@@H]1c1ccccc1OC 69374837 FYEOJSDUEKFCBA-APWZRJJASA-N 356.443 4.076 30 40 FIEB N#Cc1nc(-c2ccco2)oc1N1CCN([C@@H]2CCCc3ccccc32)CC1 95350413 KGFUZEWUCXPDLM-LJQANCHMSA-N 374.444 4.006 30 40 FIEB CC1(C)[C@@H]2CC[C@]1(C)C(=O)[C@@H]2COC(=O)/C=C1\C(=O)[C@]2(C)CC[C@@H]1C2(C)C 100362777 GFUKRGMWZLCMQM-NPNRRFFWSA-N 372.505 4.123 30 40 FIEB CC(=O)c1ccc(/N=C2\SCCCN2C(=O)CCc2ccccc2)cc1 101620599 KCTLTAMOGKBPKS-DQRAZIAOSA-N 366.486 4.475 30 40 FIEB CC/N=C1/Sc2nc3ccc(OCC)cc3cc2CN1C[C@H]1CCCO1 1358795 GFNKOFXCHJWBPG-SGRLSNSRSA-N 371.506 4.096 30 40 FIEB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)/N=C/c1c(O)ccc2ccccc12 5334571 MDNMFTYLHUGKLN-PFRKPPGBSA-N 372.424 4.230 30 40 FIEB C/C(=N\NC(=S)Nc1ccccc1C(F)(F)F)c1ccc(C#N)cc1 5657921 KEIJTJONYJFWSE-FOKLQQMPSA-N 362.380 4.288 30 40 FIEB Cc1ccc(-c2csc(SCC(=O)N[C@](C)(C#N)C3CC3)n2)cc1 5803385 OGTOMSPZRYOXDN-GOSISDBHSA-N 357.504 4.019 30 40 FIEB CC1(C)Cc2c(sc(N/C=N/Cc3ccccc3)c2C#N)C(C)(C)N1 6050279 AMRYZRZGAPKFJC-UHFFFAOYSA-N 352.507 4.420 30 40 FIEB CCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O 8990804 KLRKLXWDHUOEJD-XACIZNRCSA-N 372.804 4.287 30 40 FIEB Cn1nccc1C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1 46085325 IMWRKBMZWYJHOT-OUKQBFOZSA-N 354.413 4.169 30 40 FIEB Cc1ccccc1N1C(=O)/C(=C/c2ccc(OCC#N)cc2)SC1=S 193406001 HMEIVDFHEQRAEE-ATVHPVEESA-N 366.467 4.303 30 40 FIEB C=C(C)COc1cccc(C(=O)Nc2cc(C(=O)OC)ccc2Cl)c1 219783072 IGNJISQJKMNQKU-UHFFFAOYSA-N 359.809 4.334 30 40 FIEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(O)c(Cl)c3)S2)cc1 408782081 VOFVLRPBIZPVBH-YBEGLDIGSA-N 358.850 4.500 30 40 FIEB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)ccc1C 409153096 KVBJEYZMRLTQKA-VCHYOVAHSA-N 364.426 4.112 30 40 FIEB N#Cc1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc2c1CCCC2 839034 ROISWWBADGRWDB-CMDGGOBGSA-N 353.403 4.059 30 40 FIEB N#Cc1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 5868519 WIUCKQQTQQEESS-UHFFFAOYSA-N 354.715 4.248 30 40 FIEB Cc1ccc(/C=C2\Oc3c(ccc(O)c3CN3C[C@H](C)C[C@@H](C)C3)C2=O)o1 13656037 YMUCZYAOTJBNPJ-WCAZMMCPSA-N 367.445 4.388 30 40 FIEB biogenic Cc1sc(-n2c(C)cc(/C=C3\SC(=O)N(C)C3=O)c2C)c(C#N)c1C 15226977 WLVXASMPQCTMJL-CHHVJCJISA-N 371.487 4.310 30 40 FIEB COC(=O)[C@@H](C#N)c1nc2ccccc2nc1Oc1ccc(Cl)c(C)c1 21965663 XFCVWUIGVNFEQC-ZDUSSCGKSA-N 367.792 4.164 30 40 FIEB C#CCOc1cccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccc(OC)cc2)c1 36358914 HHIRDCZCEZXCPA-IBGZPJMESA-N 373.412 4.017 30 40 FIEB COc1cc2c(cc1OC)CC(C)(C)N(C)C(C(=O)c1ccccc1)=C2 40310075 HWGICGNFWDFGDS-UHFFFAOYSA-N 351.446 4.194 30 40 FIEB biogenic CCN1C(=O)/C(=C\c2ccc(C#N)cc2)S/C1=N/c1ccc(F)cc1 101616645 SEFQFTWHEWILCD-CKAZZZDQSA-N 351.406 4.321 30 40 FIEB CCN1C(=O)/C(=C\c2ccc(C#N)cc2)S/C1=N/c1ccc(OC)cc1 409235675 PQAHMGWDYHGRGY-LMDBJESCSA-N 363.442 4.191 30 40 FIEB O=C1CS/C(=N/N=C/c2ccccc2)N1Cc1cccc2ccccc12 2352107 NDKRJUVLNMSXON-OSWVXBLQSA-N 359.454 4.305 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(F)cc2)C[C@@H]1c1ccc(F)cc1 4119631 NUWVCJVPVQOPRQ-UYAOXDASSA-N 356.368 4.284 30 40 FIEB COc1ccc(OC)c(/C=C2/S/C(=N/c3ccc(C)cc3)N(C)C2=O)c1 4679903 WFOOYCVYIJHEAV-LLPDMMGZSA-N 368.458 4.246 30 40 FIEB Cc1ccc(/C=C2\Oc3cc(OC(=O)c4cccs4)ccc3C2=O)o1 5156738 PHLZRLMVYHSYRI-YBEGLDIGSA-N 352.367 4.485 30 40 FIEB O=C(O/N=C(\c1ccc(F)cc1)c1cccnc1)c1ccc(Cl)cc1 5769331 XQIOJKSIMIIDDJ-PTGBLXJZSA-N 354.768 4.484 30 40 FIEB O[C@@H](/C(=N/Nc1ncnc2ccccc12)c1ccccc1)c1ccccc1 6087930 QHYHCXLVIOFPIX-APWMPYESSA-N 354.413 4.180 30 40 FIEB Cc1c([C@H]2Nc3ccccc3C(=O)N2CCc2ccccc2)cc(C#N)n1C 7087891 JLUYEBANQAXBOW-QFIPXVFZSA-N 370.456 4.014 30 40 FIEB COCCCNc1oc(-c2ccc(COc3ccccc3C)o2)nc1C#N 8654758 MVLJGZUOBFACEB-UHFFFAOYSA-N 367.405 4.142 30 40 FIEB CCc1ccc(/N=C2/C(=O)N(CN3CCC(C)CC3)c3ccccc32)cc1 16161403 UIRIRNFMFZCOIV-ZNTNEXAZSA-N 361.489 4.406 30 40 FIEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@@H]3C[C@H]3O[C@]32[C@@H](C)O)C1 19897754 MZXOXBBZTDJDKI-JGRJNFBZSA-N 374.521 4.009 30 40 FIEB biogenic,in-vitro N#C[C@]1(c2ccccc2)O[C@H](c2ccccc2)[C@H]2CCC[C@@]21N1CCOCC1 33632640 BHMNGRKKDHUTQG-MOUTVQLLSA-N 374.484 4.048 30 40 FIEB C=CCNC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 36750850 ZANZPAVKAOVRLY-UHFFFAOYSA-N 351.837 4.168 30 40 FIEB CCc1nc(C)c(C#N)c(SCC(=O)Nc2cccc(C(C)C)c2)n1 40057624 SJOGUSSVJYONNK-UHFFFAOYSA-N 354.479 4.073 30 40 FIEB Cc1ccc(C)c2c1/C(=N/O)C(=O)N2CCOc1cccc2ccccc12 46085247 HEEXTVFOZHPGMQ-ATJXCDBQSA-N 360.413 4.061 30 40 FIEB Cc1nnc(S[C@H](C(=O)Nc2ccc(C#N)cc2)c2ccccc2)s1 59842441 VNXFPTJMSNEWDB-INIZCTEOSA-N 366.471 4.190 30 40 FIEB O=C(/C=C/c1c(F)cccc1F)Nc1cccc(C#Cc2ccccn2)c1 70038876 UBIGTFNGEPXZOD-OUKQBFOZSA-N 360.363 4.412 30 40 FIEB CCCCCCCCCCCC(=O)O[C@@H](C)C(=O)O[C@@H](C)C(=O)OCC 104048989 MZYZWWSOBOROCS-IRXDYDNUSA-N 372.502 4.334 30 40 FIEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3ccccc3)c2)c1 12737103 MJKMGNHCMCGFHS-UHFFFAOYSA-N 355.393 4.125 30 40 FIEB O=C(c1cccc(F)c1)N1[C@H]2C=C[C@@H](C2)C1(C(F)(F)F)C(F)(F)F 100098031 AAUCBLGUBWYLGP-ONGXEEELSA-N 353.237 4.090 30 40 FIEB CCOc1cc(/C=N\O)ccc1OCc1ccc(Br)cc1 103854785 FQNVVZVJJFYKNG-ZDLGFXPLSA-N 350.212 4.235 30 40 FIEB N#Cc1ccccc1NC(=S)NC(=O)C(c1ccccc1)c1ccccc1 678919 XRYDCTVANCGFPW-UHFFFAOYSA-N 371.465 4.203 30 40 FIEB CCN(CC)[P+](N(C)Cc1ccco1)(N(CC)CC)N(CC)CC 5446437 SUODTWDSKCBZKX-UHFFFAOYSA-N 357.503 4.414 30 40 FIEB COc1cccc(/C=C2/S/C(=N/c3ccccc3Cl)NC2=O)c1OC 13476405 AMCRMUKGQKGMDN-XNTDXEJSSA-N 374.849 4.249 30 40 FIEB N#Cc1ccccc1OCC(=O)Nc1ccccc1SCC(F)(F)F 14184375 RPQRWDCYFZPXBZ-UHFFFAOYSA-N 366.364 4.230 30 40 FIEB COCc1cc(C)nc(N/N=C/c2cc(C)n(-c3ccccc3)c2C)c1C#N 59433738 LQQZEDLORFFYIB-ZMOGYAJESA-N 373.460 4.262 30 40 FIEB C[C@H](OC[C@@H]1CCCCO1)C(=O)Nc1sc(-c2ccccc2)cc1C#N 69356533 CKMQCVPEPHKKOO-YOEHRIQHSA-N 370.474 4.199 30 40 FIEB CC(C)N1CCC(c2cc(-c3cc(F)cc(F)c3)nc(N)c2C#N)CC1 71738869 ZBRVMJJBMJRSIU-UHFFFAOYSA-N 356.420 4.068 30 40 FIEB COc1ccccc1C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 101474512 BGCUCYSUIDFGAR-UHFFFAOYSA-N 354.168 4.346 30 40 FIEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@]5(C(C)=O)O[C@H]5[C@@]4(C)CC[C@@H]32)C1 118917471 GWZAVXCYXHGFFE-QGZPSTLZSA-N 372.505 4.217 30 40 FIEB C=CCOc1cccc(NC(=S)NCCCN2CCCC[C@@H]2CC)c1 225583432 RLSGIBUQZIHJST-SFHVURJKSA-N 361.555 4.192 30 40 FIEB CCn1c(N/N=C/c2cc(OC)c(OC)cc2Cl)nc2ccccc21 408692442 MPALZROUKPFFEZ-RGVLZGJSSA-N 358.829 4.173 30 40 FIEB N#Cc1cc([N+](=O)[O-])cc2c1N[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 408763283 OUKUVEFYCGSRSM-RYRKJORJSA-N 362.345 4.201 30 40 FIEB C=CCN1C(=O)CN=C(c2ccc(C)cc2)c2c1sc1c2CCCC1 924555 HAXZVQPVACHSPQ-UHFFFAOYSA-N 350.487 4.305 30 40 FIEB COC(=O)C1=C(Nc2ccc(F)cc2)S/C(=C\c2cccs2)C1=O 1412438 HLEVFKKBOADRJR-LCYFTJDESA-N 361.419 4.041 30 40 FIEB CO[P@@](=O)(C#Cc1ccccc1)[C@@](O)(c1ccccc1)C(F)(F)F 2316788 JETBBCIKNHGVGW-FYSMJZIKSA-N 354.264 4.328 30 40 FIEB CCCC/N=C1/S/C(=C/C(=O)Nc2ccccc2)C(=O)N1CCCC 4704098 CHIUSMYPPBWZIX-AEHPWRMBSA-N 359.495 4.041 30 40 FIEB COc1cc(/C=C/C(=O)c2ccc(OC(F)F)cc2)ccc1OCC#N 5129325 AOLWBUUYLGGASC-KRXBUXKQSA-N 359.328 4.095 30 40 FIEB N#Cc1ccc2nc(NCc3ccnc(OCC(F)(F)F)c3)ccc2c1 89807736 FWPKUGSYCAEXRY-UHFFFAOYSA-N 358.323 4.055 30 40 FIEB C/C(=N\O)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C 118917628 DAJBMKKLLJTPAS-PJGZQIJXSA-N 360.498 4.217 30 40 FIEB CCOC(=O)C1=C(Nc2ccc(Cl)cc2)S/C(=C\c2ccc[nH]2)C1=O 409138342 AGFPMGZWTZYAED-UVTDQMKNSA-N 374.849 4.212 30 40 FIEB N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccc(O)c(Cl)c2)C1=O 409153408 LPZBIVFUGYCDSJ-LZYBPNLTSA-N 370.817 4.154 30 40 FIEB CCOc1ccccc1/C=N/n1cnnc1SCc1ccc(C)cc1 940374 WJZUEOYHJDKQPA-CIAFOILYSA-N 352.463 4.160 30 40 FIEB CN(/C=C/C(=O)C(F)(F)F)[C@]1(c2ccccc2Cl)CCCCC1=O 3310377 TYLWEAYXAFIWDU-SOGBHIHOSA-N 359.775 4.255 30 40 FIEB Cc1sc2ncn(/N=C/c3ccc(-c4ccc(F)cc4)o3)c(=O)c2c1C 3393108 GSAOGBWRTQMQAL-LSFURLLWSA-N 367.405 4.356 30 40 FIEB Cc1nn(-c2ccc(F)cc2)c2c1[C@@H](c1cccnc1)C1=C(CCCC1=O)N2 4863739 UROOVGYNWOBFNE-HXUWFJFHSA-N 374.419 4.279 30 40 FIEB C[C@@H](Sc1nc2ccc(Cl)cc2[nH]1)C(=O)NC1(C#N)CCCCC1 6908524 XIXIGWLSRXGUHD-LLVKDONJSA-N 362.886 4.040 30 40 FIEB O=C1N/C(=N/c2ccccc2Cl)S/C1=C\c1cccc([N+](=O)[O-])c1 13124348 LKLJQQGAAVKYNB-ZROIWOOFSA-N 359.794 4.140 30 40 FIEB O=C(Nc1ccc(Cl)cn1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 97950993 TZMVVYSWXBVMGO-UHFFFAOYSA-N 374.590 4.142 30 40 FIEB O=C(/C=C/NCc1ccc2c(c1)OCO2)c1ccc(Cl)c(Cl)c1 109146468 SXGCJJSJHDNIJG-AATRIKPKSA-N 350.201 4.208 30 40 FIEB Cc1ccc(-n2c(C)cc(/C=N/n3c(C)nnc3S)c2C)cc1Cl 408863199 QCZSYQYVGLNYLR-DJKKODMXSA-N 359.886 4.127 30 40 FIEB COc1cccc(/C=N\Nc2ccc(C(F)(F)F)cn2)c1OC(C)C 409013919 OMXMAIAHWUJFEJ-AFPJDJCSSA-N 353.344 4.342 30 40 FIEB CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C#N)cc3)c2C)C1=O 409096396 KAJUYRRZFOEGHN-LICLKQGHSA-N 351.431 4.022 30 40 FIEB Cc1cncc(CN2CCC[C@H]2c2cccc(Nc3ccc(C#N)nc3)n2)c1 585295186 OYOMYRHXWWAQQC-NRFANRHFSA-N 370.460 4.132 30 40 FIEB C=C(C)COc1cc(/C=C2\N=C(c3cccs3)OC2=O)ccc1OC 843980 AXGNLTSXKMFZML-ZROIWOOFSA-N 355.415 4.056 30 40 FIEB ON=C1c2cc(Br)ccc2-c2ccc(Br)cc21 1042007 FHYHSUARESFQSI-UHFFFAOYSA-N 353.013 4.419 30 40 FIEB CCOc1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 4738137 XKZGIAAGDKWLOJ-KEBDBYFISA-N 353.300 4.458 30 40 FIEB Cc1nn(-c2ccc(F)cc2)c2c1[C@H](c1cccnc1)C1=C(CCCC1=O)N2 4863740 UROOVGYNWOBFNE-FQEVSTJZSA-N 374.419 4.279 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(C)cc2)C[C@@H]1c1ccccc1OC 4919988 AFLZQWWRXPVFGB-DENIHFKCSA-N 364.441 4.323 30 40 FIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCc5ccccc5C4)[C@H]3C[C@H]12 12884666 NGDNTENCUITPCQ-AQKHVRLOSA-N 365.517 4.359 30 40 FIEB biogenic O=C(/C=C/c1ccc(OCc2ccccn2)cc1)c1ccc([N+](=O)[O-])cc1 40139511 BJFURYQVRVTYIE-AWNIVKPZSA-N 360.369 4.465 30 40 FIEB C=CCn1cc2c3c(cccc31)[C@H](CC(C)C)N[C@H](C(=O)NC1CCC1)C2 49171842 NPTZLKSANVHTHB-PMACEKPBSA-N 365.521 4.098 30 40 FIEB biogenic,in-vitro COc1ccc(C(=O)/C=C/c2cnc(C(C)(C)C)s2)cc1NC(C)=O 78162516 LGWOTMUQOPLFCU-BQYQJAHWSA-N 358.463 4.304 30 40 FIEB CCCCCCCCCSc1nc2c([nH]1)c(=O)n(C)c(=S)n2C 95871054 WHILDIYQLWNTLZ-UHFFFAOYSA-N 354.545 4.172 30 40 FIEB C=CCN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(OC)cc1 224867449 KJWZNUHNBVCWNK-UHFFFAOYSA-N 372.273 4.383 30 40 FIEB Cc1c(/N=C/c2ccc(-c3ccccc3)o2)c(=O)n(-c2ccccc2)n1C 959237 CUXSFXKYADXJMJ-HZHRSRAPSA-N 357.413 4.495 30 40 FIEB C=C(C)COc1ccc2c(=O)c(-c3ccc(OC)c(OC)c3)coc2c1 2098708 ILZYICTWWMJPBI-UHFFFAOYSA-N 352.386 4.432 30 40 FIEB biogenic C=CCSc1nnc2c3c4c(sc3nc(CC)n12)COC(C)(C)C4 2222662 PCHOMSMTATVJKH-UHFFFAOYSA-N 360.508 4.031 30 40 FIEB O=C(O)c1cc(N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1Cl 4921122 VGMQYBCPUZPVCZ-REZTVBANSA-N 354.149 4.046 30 40 FIEB CCOc1ccc2ccccc2c1/C=N/Nc1nc(C)cc(COC)c1C#N 5333174 XZJBBKPCVDYVAL-ZMOGYAJESA-N 374.444 4.406 30 40 FIEB C=CCn1c(S[C@H](C)c2cccc([N+](=O)[O-])c2)nnc1-c1ccncc1 7171870 MIYWBCLTIMVVNH-CYBMUJFWSA-N 367.434 4.288 30 40 FIEB COc1cc(Br)c(/C=N/c2ccc([N+](=O)[O-])cc2)cc1OC 8106803 GERJXCJDEYWZJL-RQZCQDPDSA-N 365.183 4.125 30 40 FIEB C=CCN(CC=C)C(=O)CC12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2 12614942 RZIJOMLDPLEQJR-BXXOZEPKSA-N 352.316 4.311 30 40 FIEB C/C(=N/NC(=S)Nc1cccc(C)c1)c1ccc(Br)cc1 13575494 PCJZTQCIJITTIV-UNOMPAQXSA-N 362.296 4.468 30 40 FIEB CCc1ccc(OCC(=O)Nc2ccc(CC#N)cc2)c(Br)c1 218860771 QKVQJHLKJXYPCP-UHFFFAOYSA-N 373.250 4.095 30 40 FIEB COCc1cc(Cl)ccc1NC(=O)N1CCc2c(CC#N)cccc2C1 599797668 OXWPRWIFCOCMKC-UHFFFAOYSA-N 369.852 4.143 30 40 FIEB Cc1ccc(/C=N/N=C2/S[C@H](C)C(=O)N2Cc2ccccc2C)cc1 4889275 YZHIHNNYLIGCBH-XMGNELRJSA-N 351.475 4.157 30 40 FIEB Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1ccccc1C(=O)O 5530532 UCIFGUBPDPDACR-UHFFFAOYSA-N 371.392 4.255 30 40 FIEB Cc1cc(OCc2nc(C#N)c(NCc3ccncc3)o2)ccc1Cl 6719317 VMNVGHYBUKCULY-UHFFFAOYSA-N 354.797 4.094 30 40 FIEB Cc1csc([C@@H](C#N)C(=O)CSc2ncc(-c3ccc(F)cc3)o2)n1 8709107 FNFHPBTVUFAWQL-ZDUSSCGKSA-N 373.434 4.214 30 40 FIEB CCOc1ccc(Cl)cc1/C(C)=N/NCc1ccc(OC)c(OC)c1 20196781 YATGIIOYZLYQGC-LPYMAVHISA-N 362.857 4.270 30 40 FIEB N#Cc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2cc(F)cc(F)c2)cc1 40285875 CNXIMUOYTUXTQP-INIZCTEOSA-N 350.328 4.146 30 40 FIEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc(O)c(O)c1 803561 HQKDNVVUEHTPCB-FQEVSTJZSA-N 350.418 4.320 30 40 FIEB C=CCN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1 5746287 BCGODKLWTIIFRF-UHFFFAOYSA-N 366.280 4.139 30 40 FIEB C=CCn1c(SCCOc2cccc(C)c2)nnc1-c1ccncc1 8391843 HDLHWSDGSXAJHS-UHFFFAOYSA-N 352.463 4.006 30 40 FIEB CCc1ccccc1/N=C1\S/C(=C/c2ccccc2OC)C(=O)N1C 38361073 OFJTVPTWWMDKRM-BIXZQSIESA-N 352.459 4.491 30 40 FIEB C=CCn1c(-c2ccccc2)cs/c1=N/Nc1ccc([N+](=O)[O-])cc1 102941583 ICRWJXKZXUJSEA-CZIZESTLSA-N 352.419 4.239 30 40 FIEB N#Cc1c(Cc2ccccc2Cl)nn(Cc2ccccc2Cl)c1N 225839387 IUDQXVDZXCJUKW-UHFFFAOYSA-N 357.244 4.283 30 40 FIEB C[C@](C#N)(CCc1ccccc1)NC(=O)c1cscc1C(F)(F)F 598817775 AVYABPLZECXCJT-MRXNPFEDSA-N 352.381 4.412 30 40 FIEB COc1ccc(C(=O)Nc2sc3c(c2C#N)C[C@H](C)CC3)cc1OC 4069994 IEUBTWWSLGSRPS-LLVKDONJSA-N 356.447 4.014 30 40 FIEB COc1ccc(O)c(/C=N/Nc2nc(Cl)c(C#N)c(Cl)c2Cl)c1 4481784 SCMITXHCOITMTP-KPSZGOFPSA-N 371.611 4.074 30 40 FIEB N#Cc1c(N)n(Cc2cccc(C(F)(F)F)c2)c2nc3ccccc3nc12 4802349 HIYVFCYIPBDYTQ-UHFFFAOYSA-N 367.334 4.105 30 40 FIEB COCC/N=C1/Sc2nc3ccc(C)cc3cc2CN1C1CCCC1 4858386 WQZVWQGCICDHJN-QZQOTICOSA-N 355.507 4.396 30 40 FIEB CC(C)n1cc(/C=N/Nc2nnc3c(n2)[nH]c2ccccc23)c2ccccc21 5451818 FPBHRCRNSXKAPB-SSDVNMTOSA-N 369.432 4.488 30 40 FIEB N#Cc1ccc(F)c(CSc2nnc(NCc3ccccc3)s2)c1 10092657 FPMUVMRFRFZNES-UHFFFAOYSA-N 356.451 4.453 30 40 FIEB Cc1ccccc1[C@H]1CCCN1CC(=O)N(CCC#N)c1ccccc1F 52212754 CLJPYXKCWHEBJW-HXUWFJFHSA-N 365.452 4.218 30 40 FIEB CCn1nc(C)cc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 97542502 XXPLZBSUAYZOIF-UHFFFAOYSA-N 374.444 4.223 30 40 FIEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)S1 408737299 BJOJHSZDPWVCIW-DHDCSXOGSA-N 373.821 4.448 30 40 FIEB C#CCN1C(=O)S/C(=C/c2cccc(OCc3ccccc3F)c2)C1=O 409044236 USIOPNKITJGFHJ-LDADJPATSA-N 367.401 4.074 30 40 FIEB COC(=O)CSc1nc2c(c(-c3ccc(Cl)cc3)c1C#N)CCC2 1439896 ZOAZJELZHYIEBQ-UHFFFAOYSA-N 358.850 4.027 30 40 FIEB C=CCn1c(N)c(C(=O)NCCCCCCC)c2nc3ccccc3nc21 2356378 XEEHTOSVXWHRRM-UHFFFAOYSA-N 365.481 4.053 30 40 FIEB CC1=C[C@@H](C)[C@H](/C=N/n2cnc3c([nH]c4ccc(F)cc43)c2=O)[C@H](C)C1 5277616 PNOVVDRHHMKFHS-TXGVAGEFSA-N 352.413 4.089 30 40 FIEB OC(C/C(=N/N1CCCCC1)c1cccs1)(C(F)(F)F)C(F)(F)F 8665073 UKDFNEMVOUVNKY-FBHDLOMBSA-N 374.350 4.184 30 40 FIEB COc1ccc(/C=C2\S/C(=N\c3cccc(C)c3C)NC2=O)cc1OC 12032530 WMRFMZFJRNDXDQ-WQRHYEAKSA-N 368.458 4.212 30 40 FIEB Cc1noc2c1[C@H](c1cccnc1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 13570253 VLQXBHYDFCEKEJ-UZLBHIALSA-N 357.413 4.336 30 40 FIEB C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)c1ccc(-c2ccccc2)cc1 15583371 FLDLNJNDBWUKGT-MRXNPFEDSA-N 362.454 4.265 30 40 FIEB S=C(N/N=C1/C[C@H](c2ccccc2)Oc2ccccc21)Nc1cccnc1 96708514 UCLBAUUMUPHAKZ-RMQQKZCOSA-N 374.469 4.296 30 40 FIEB CCCCOC(=O)c1ccc(/N=C/c2ccc(OC)c(C(=O)O)c2)cc1 100177584 YGKXLBNNVANULN-FYJGNVAPSA-N 355.390 4.101 30 40 FIEB CC1(C)[C@H]2CC[C@]1(C)C(=O)/C2=C\C(=O)O/C=C1\C(=O)[C@]2(C)CC[C@@H]1C2(C)C 100362725 PWHGOAZEQDQCIY-CELZLJSNSA-N 370.489 4.390 30 40 FIEB CC(C)(C)c1ccc(OCCN2C(=O)/C(=N/O)c3cc(Cl)ccc32)cc1 102312641 RVVLBYAFLZOJDH-RELWKKBWSA-N 372.852 4.241 30 40 FIEB N#C[C@@H]1[C@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 218621748 QWNZNSFWGKGFRE-PMPSAXMXSA-N 352.242 4.073 30 40 FIEB N#C[C@]1(c2ccccc2)O[C@H](c2ccccc2)[C@H]2CCC[C@]21N1CCOCC1 254520837 BHMNGRKKDHUTQG-JLLPCOHGSA-N 374.484 4.048 30 40 FIEB COCCCN1C(=O)/C(=C/c2ccc(C)o2)S/C1=N\c1ccccc1 408931888 RQSSVHXEDZUFGY-CJGMICOPSA-N 356.447 4.229 30 40 FIEB C=CCc1cc(/C=C2\C(=O)ON=C2C)cc(OC)c1OCc1ccccc1 409082477 QAUMGEZKEDWJFA-UNOMPAQXSA-N 363.413 4.319 30 40 FIEB CC(=O)[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(Cl)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 1680902 HGPYPOGDCXQMFV-SWZUNLMUSA-N 364.913 4.405 30 40 FIEB N#CC(C#N)C1(c2c(O)n[nH]c2-c2ccccc2)C2CC3CC(C2)CC1C3 2285893 RABBHMDJYHELBI-UHFFFAOYSA-N 358.445 4.140 30 40 FIEB O=[N+]([O-])c1ccc(/C=N/Nc2cc(Cl)nc(-c3ccccc3)n2)cc1 4713153 LFTDFNLYZLDCJH-YBFXNURJSA-N 353.769 4.151 30 40 FIEB Cc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 6845034 YSQOVBFVUIMAEM-GFCCVEGCSA-N 369.515 4.180 30 40 FIEB C=CCn1c(SCc2ccccc2Br)nnc1C1CC1 40159104 AIOKXIHKYXKMSO-UHFFFAOYSA-N 350.285 4.396 30 40 FIEB CC(C)(C)c1ccc(-c2n[nH]c(=S)n2/N=C\c2ccccc2O)cc1 51340006 WTRXHZVUNGAFEX-NDENLUEZSA-N 352.463 4.493 30 40 FIEB N#Cc1ccc(NCC(=O)Nc2ccccc2COc2ccccc2)cc1 64737923 SLYUWAHFKAZHMB-UHFFFAOYSA-N 357.413 4.188 30 40 FIEB Cc1cccc(N(CCC#N)C(=O)CN2CC[C@H](c3ccccc3)C2)c1C 69701417 LDGNGQACZQBIMW-NRFANRHFSA-N 361.489 4.040 30 40 FIEB Cc1cc(N(C)[C@@H](CCO)c2ccccc2)n2c(nc3ccccc32)c1C#N 76093031 DYPTWSKEYSNOQJ-FQEVSTJZSA-N 370.456 4.228 30 40 FIEB O=C1C(=O)N(c2ccc(F)cc2)[C@@H](c2ccccc2)/C1=C(\O)c1ccccc1 102925528 WAZBIZRDEGJKCF-NHFXJNLRSA-N 373.383 4.452 30 40 FIEB O=C1Nc2c(cccc2C(F)(F)F)/C1=N/Nc1cccc(C(F)(F)F)c1 223742959 LQEFGRQNGLALLE-UHFFFAOYSA-N 373.256 4.493 30 40 FIEB Ic1ccc(/N=C\c2ccc(N3CCCC3)o2)cc1 408845037 DVVRBXJMEFYPJG-BOPFTXTBSA-N 366.202 4.235 30 40 FIEB COc1ccc(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)cc1[N+](=O)[O-] 3279709 SAVAQPUFJLHCOF-UHFFFAOYSA-N 374.352 4.361 30 40 FIEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](/C=C/c1ccccc1)n1ncnc1N2 4435952 OBOPHFVPGNOROT-QFTYNREVSA-N 374.469 4.420 30 40 FIEB COc1ccccc1NC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1 6409320 ONSLCBNDJKYTNS-UHFFFAOYSA-N 358.397 4.251 30 40 FIEB C#CCOc1ccc(C(=O)Nc2ccc(Br)cc2Cl)cc1 8570441 IUGHXMPTVFQYPT-UHFFFAOYSA-N 364.626 4.367 30 40 FIEB C=CCSc1nnc(CN2c3ccccc3Sc3ccccc32)n1N 19897501 OGLJJKSHYYTEKL-UHFFFAOYSA-N 367.503 4.073 30 40 FIEB C=CCNC(=S)Nc1ccc2sc3nc4ccccc4nc3c2c1 33613341 PBDJUBIKMVWWTB-UHFFFAOYSA-N 350.472 4.470 30 40 FIEB COc1ccc(/C=N/N=c2/[nH]c(-c3ccccc3)c(C)s2)c(OC)c1 59193894 ILEFBXMNQRAUMC-UDWIEESQSA-N 353.447 4.004 30 40 FIEB COc1ccccc1Oc1c(N)cc(C#N)n1Cc1ccccc1Cl 225883474 WXYMDLFULLJABZ-UHFFFAOYSA-N 353.809 4.445 30 40 FIEB Cc1nc(C#N)c(NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)o1 606422450 KTNMZTCMPYIVTD-UHFFFAOYSA-N 373.391 4.459 30 40 FIEB C=CCSc1nc2n(n1)[C@@H](c1ccccc1)C1=C(CC(C)(C)CC1=O)N2 6677855 HUTYXOSEWUKYNH-KRWDZBQOSA-N 366.490 4.214 30 40 FIEB C=CCn1nnnc1NCc1ccc(-c2cc(Cl)ccc2Cl)o1 6856435 FUDNUPZUKCEPTQ-UHFFFAOYSA-N 350.209 4.038 30 40 FIEB N#Cc1c(NC(=O)CSc2ccc3c(c2)CCC3)sc2c1CCC2 12567669 FSNUDSUTKBRFDB-UHFFFAOYSA-N 354.500 4.328 30 40 FIEB CCOc1cc2c(cc1/C=C/C(=O)c1ccc(OCC#N)cc1)O[C@H](C)C2 15352602 XGIJTKNKFQEWBS-RZIFZGNASA-N 363.413 4.207 30 40 FIEB O/C(=N\c1nc(-c2cccs2)n[nH]1)c1ccc(SC(F)F)cc1 57996464 LTRCOKZQEWRVNI-UHFFFAOYSA-N 352.391 4.484 30 40 FIEB Cc1ccc(/N=C2\C(=O)N(CN3CCC[C@H](C)C3)c3ccccc32)cc1C 226757226 SWIJQIWLIYQYSS-DYYXWGBJSA-N 361.489 4.460 30 40 FIEB Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2ccc([N+](=O)[O-])o2)S1 408857249 JZTGPICVEMBSMQ-GHXNOFRVSA-N 363.782 4.041 30 40 FIEB COC(=O)c1ccccc1/N=C\c1ccc(-c2ccc(C)c(C(=O)O)c2)o1 408860179 YPOWCEFRLHQILF-UUYOSTAYSA-N 363.369 4.490 30 40 FIEB Cc1ccccc1NC(=O)/C=N/OCc1ccc(Br)cc1F 2645280 LQBVRYNFYREEJY-DJKKODMXSA-N 365.202 4.038 30 40 FIEB CCCC[C@H]1S/C(=N/N=C/c2ccco2)N(Cc2ccc(F)cc2)C1=O 5092899 IDNWSNCVPCUSGH-AANLGRHESA-N 373.453 4.443 30 40 FIEB C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccccc3F)ccc21 8958745 GZLTUWQPAOHMOT-UHFFFAOYSA-N 368.408 4.016 30 40 FIEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H](C)c1ccc(F)cc1F 12782313 NYBMXIUPYCFNFU-NSHDSACASA-N 355.344 4.020 30 40 FIEB CCO/C(=N\Nc1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 16681954 DSCNQFVXYFFRBK-SDXDJHTJSA-N 364.199 4.168 30 40 FIEB O=C1/C(=C/c2cc(Cl)c(O)c(Cl)c2)C(=O)c2c1cccc2[N+](=O)[O-] 26500820 NCISMAOXDBIUSU-WTKPLQERSA-N 364.140 4.070 30 40 FIEB N#Cc1ccsc1NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1 48290494 VIQUDSXAFXSQRK-UHFFFAOYSA-N 359.357 4.124 30 40 FIEB C=CCSCC(=O)N[C@H](C)c1ccc(NC(=O)Nc2ccccc2)cc1 53261628 FOILNYKGCXXYCC-OAHLLOKOSA-N 369.490 4.427 30 40 FIEB CCCCCCCC(=O)NN1C(=O)/C(=C\c2ccccc2)SC1=S 100501892 ODUUHQSYLRZEJK-FYWRMAATSA-N 362.520 4.280 30 40 FIEB CCN1C(=O)/C(=C/c2ccc(N(C)C)cc2)S/C1=N/c1ccccc1 101509161 SUFVQPBLRKGLJS-RABLAQOOSA-N 351.475 4.377 30 40 FIEB F[C@H](C(F)(F)F)C(F)(F)OCC(F)(F)C(F)(F)C(F)(F)F 103538235 ITRARIZTIUSJFX-UWTATZPHSA-N 350.074 4.329 30 40 FIEB in-vitro Cc1ccc(N/N=C2\C(=O)N(C3CSC3)c3ccc(Cl)cc32)cc1C 223738877 CZPBCEZSGUZCSY-PYCFMQQDSA-N 371.893 4.235 30 40 FIEB Cc1ccc(N/N=C2\C(=O)Nc3ccc(C(F)(F)F)cc32)cc1Cl 223746709 NGHBPHYETRBLSZ-UHFFFAOYSA-N 353.731 4.436 30 40 FIEB CCOC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1sccc1C)C2=O 5164226 FKNWVVACFKABGV-YUSFRKCESA-N 358.415 4.003 30 40 FIEB Cc1cc(C2=NN/C(=N\c3ccccc3)SC2)c(C)n1C[C@@H]1CCCO1 5895375 LFXKXSDBQUSAHV-KRWDZBQOSA-N 368.506 4.012 30 40 FIEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C)s1 19806053 RYSOJVGHRHLEKY-SFHVURJKSA-N 359.491 4.224 30 40 FIEB CC(C)(C)C(=O)/C=C1\SCC(=O)N1Cc1cccc(C(F)(F)F)c1 28915554 NAGACKHYRBPZHN-NVNXTCNLSA-N 357.397 4.237 30 40 FIEB N#C[C@H](C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1nc2ccccc2s1 55392742 DDUCSHIRRPTANR-SNVBAGLBSA-N 357.778 4.348 30 40 FIEB Cc1cc(CSc2ncccc2C(=O)Nc2cc(C#N)ccc2C)no1 63961342 UGNUDJHGWHDOHM-UHFFFAOYSA-N 364.430 4.103 30 40 FIEB CCCCCCCn1cnc2c(oc3nc4c(cc32)COC(C)(C)C4)c1=O 97956538 AZOWCKZRUDPTIZ-UHFFFAOYSA-N 369.465 4.359 30 40 FIEB C=CCOc1ccc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc1OC 408567066 GGFJYXVHIILQGA-QGZVFWFLSA-N 352.390 4.150 30 40 FIEB Cc1ccc(N=C2NC(=O)/C(=C/c3cc4c(cc3Cl)OCO4)S2)cc1 408890661 XHVLHHXYQQFFFD-APSNUPSMSA-N 372.833 4.269 30 40 FIEB C=CCN1C(=O)/C(=C/c2ccc(-c3ccc(C#N)cc3)o2)SC1=S 409022756 RUGVVDOEPFLACR-YBEGLDIGSA-N 352.440 4.205 30 40 FIEB N#CCOc1ccc(C(=O)/C=C/c2cc(Br)ccc2F)cc1 5155890 BSQMQIMWWRKOEV-FPYGCLRLSA-N 360.182 4.387 30 40 FIEB C/C(=N/N=C(/C)[C@@H]1C[C@H](CC(=O)O)C1(C)C)[C@@H]1C[C@H](CC(=O)O)C1(C)C 5179040 XVYLZBKIPPCLTR-NBQXFZPBSA-N 364.486 4.097 30 40 FIEB C=CCOC(=O)[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl 5377381 RAZHSAREIGPRIW-STQMWFEESA-N 354.233 4.244 30 40 FIEB COc1ccc(C(=O)/C=C/c2cccc(I)c2)cc1 7939559 DPGWQDRREDWSPV-BJMVGYQFSA-N 364.182 4.196 30 40 FIEB C=C(C)COc1ccc2c(c1)O/C(=C\c1ccc(OC)cc1OC)C2=O 12861648 SBYBSOYYIDXFSZ-UKWGHVSLSA-N 352.386 4.275 30 40 FIEB biogenic COc1ccc(C(=O)[C@@H](C)[n+]2cc(-c3ccc(C)cc3)n3c2CCC3)cc1 16995351 DXGJNTAUWALVNM-QGZVFWFLSA-N 361.465 4.150 30 40 FIEB N/C(=N/OC/C=C/c1ccccc1)c1ccc(Oc2ccc(F)cc2)nc1 60197507 YKEPBUWZBMCVMX-QPJJXVBHSA-N 363.392 4.363 30 40 FIEB CCNc1nnc(Sc2cc(C)c(C#N)c3nc4ccccc4n23)s1 71872253 QEIYVBYHONRIID-UHFFFAOYSA-N 366.475 4.102 30 40 FIEB CCCCCCCCOC(=S)SCC(=O)N(CCC#N)CCC#N 100934585 ILYSJVYJZSGFHK-UHFFFAOYSA-N 369.556 4.038 30 40 FIEB C=CCOc1ccc(NC(=S)N[C@H](C)COc2ccccc2C)cc1 225638029 RSPSVFMLKUVRLT-MRXNPFEDSA-N 356.491 4.314 30 40 FIEB O=C(O)c1cccc2c1-c1ccc(/N=C/c3ccc4c(c3)OCO4)cc1C2=O 1713219 VKSURLDBHGEESY-AUEPDCJTSA-N 371.348 4.076 30 40 FIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCc4ccccc4OC)[C@H]3C[C@@H]12 4028464 REYKQEWDDZDTTM-CPHWIANGSA-N 369.505 4.099 30 40 FIEB biogenic O=[N+]([O-])c1ccc(Cl)c(/C=N/Nc2c(F)c(F)c(F)c(F)c2F)c1 5568279 ANCXYAWMBSBPMH-LRNAUUFOSA-N 365.645 4.390 30 40 FIEB O=C1C[C@@H](c2cccc(F)c2F)C2=C(C[C@H](c3ccc(F)cc3)CC2=O)N1 6820333 NBWFLVIKSKSADJ-WFASDCNBSA-N 371.358 4.108 30 40 FIEB COc1cccc(C(=O)/C=C/c2cc3c(cc2Br)OCO3)c1 7742351 DOYRFBUYNOHQRY-AATRIKPKSA-N 361.191 4.083 30 40 FIEB CCOc1ccc(/C=N/n2c(-c3ccccc3)n[nH]c2=S)c(OCC)c1 9295968 XQUAVKRADWNIPR-DEDYPNTBSA-N 368.462 4.287 30 40 FIEB C=CCNC(=O)C1(Cc2ccccc2-c2ccccc2OC)CCOCC1 12366588 JPXFDYFOGUPCCB-UHFFFAOYSA-N 365.473 4.004 30 40 FIEB Cc1cc(C)c2nc(SCC(=O)N[C@](C)(C#N)C(C)C)cc(C)c2c1 12533542 MSDLDZSTSAHZNG-HXUWFJFHSA-N 355.507 4.307 30 40 FIEB COc1cc(/C=N/Nc2nc(Cl)c(C#N)c(Cl)c2Cl)ccc1O 13564555 LFDSLBNUKSEVMU-KPSZGOFPSA-N 371.611 4.074 30 40 FIEB O=C(/C=C/c1ccccc1F)c1cccc(I)c1 16740912 UQMORPBEAUWVAZ-CMDGGOBGSA-N 352.146 4.326 30 40 FIEB N#CCOc1ccc(C(=O)/C=C/c2cnn(-c3ccc(Cl)cc3)c2)cc1 40139699 ZDCJTZFIAHKOEE-BCTAIJSYSA-N 363.804 4.324 30 40 FIEB C=CCN(Cc1cccs1)C(=O)c1ccc(OC)c(OC(F)F)c1 47981781 QQULBTZVBHOZKE-UHFFFAOYSA-N 353.390 4.187 30 40 FIEB Cc1cc(/N=C/c2cc(Br)c(N3CCOCC3)o2)ccc1F 59247912 PIOSCGHKPSTWNN-VXLYETTFSA-N 367.218 4.077 30 40 FIEB C=CCn1/c(=N/C(=O)CCCC)sc2cc(Br)ccc21 100874349 RFHGNWKMZYRRCO-ICFOKQHNSA-N 353.285 4.269 30 40 FIEB N#Cc1c(NS(=O)(=O)c2ccc(Cl)cc2)sc2c1CCCCC2 2752411 IFCRNAYYIPFKCN-UHFFFAOYSA-N 366.895 4.343 30 40 FIEB COc1ccc(/C=N/N=c2/[nH]c(-c3ccc(OC)cc3)c(C)s2)cc1 4070313 AVEIQFDTXRNQPF-UDWIEESQSA-N 353.447 4.004 30 40 FIEB C=CCn1c(SCC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21 4485613 LBSSRCJIZYPLSM-UHFFFAOYSA-N 368.458 4.215 30 40 FIEB C=C(C)Cn1c([C@H]2CC(=O)N(c3ccc(OC)cc3)C2)nc2ccccc21 4943165 IYKYWFNJHVTBSM-INIZCTEOSA-N 361.445 4.142 30 40 FIEB COc1cc(C(=O)/C=C/c2c(C)nn(Cc3ccccc3)c2C)ccc1O 8322765 PGVRHLIEWMIYIK-ZRDIBKRKSA-N 362.429 4.159 30 40 FIEB C=C(C)CSc1nnc([C@@H](CCSC)NC(=O)OC(C)(C)C)o1 16001595 UBCVFJLUMJNYSW-LLVKDONJSA-N 359.517 4.057 30 40 FIEB N#CCCCOC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CCC2 32667928 UXQWSVPGBDDOAW-UHFFFAOYSA-N 360.479 4.216 30 40 FIEB O=C(O)C(C(=O)/C=C/c1ccc(C(F)(F)F)cc1)=C1SCCCS1 62716095 MKAIXXDNJDXBOO-QPJJXVBHSA-N 374.405 4.454 30 40 FIEB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1sc2c(c1C#N)CCCC2 100930979 KCRBZIYJUUNZTH-ATVHPVEESA-N 362.458 4.217 30 40 FIEB C=CCN(c1ccc(Br)c(C)c1)S(=O)(=O)c1ccccc1 224669558 ARJSZGGUFGGJFN-UHFFFAOYSA-N 366.280 4.139 30 40 FIEB CCOc1ccc(/C=N/Nc2ccc(C(F)(F)F)cn2)c(OCC)c1 409104363 YHFFXGLZMMYXBJ-LSHDLFTRSA-N 353.344 4.344 30 40 FIEB Cc1ccc(NC(=O)/C=N/OC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 2254557 NRCWEEANIVUORN-DJKKODMXSA-N 366.204 4.475 30 40 FIEB Cc1ccc(N(CCC#N)C(=O)CSc2ncnc3sccc23)cc1 3430292 KIZMCRROTGFOFM-UHFFFAOYSA-N 368.487 4.039 30 40 FIEB C#CCOc1ccc2c(c1)c(C(=O)OCC)c(C)n2CCc1ccccc1 3772581 MZTZYXBEZYQISI-UHFFFAOYSA-N 361.441 4.381 30 40 FIEB O/N=C1\CC/C=C/CC/C=C/CC[C@H]1Sc1nnnn1-c1ccccc1 5604630 TWXXYOHCSZHWHQ-DREIWQHMSA-N 369.494 4.420 30 40 FIEB Cc1ccc2nc(NC(=O)CSc3nc(C)cc(C)c3C#N)sc2c1 22187108 JZKMHZWSHOFDJF-UHFFFAOYSA-N 368.487 4.219 30 40 FIEB CCOc1cc([N+](=O)[O-])cc(/C=N/c2sc3c(c2C#N)CCCC3)c1O 35406342 YEEIQJQGABEVHH-KEBDBYFISA-N 371.418 4.262 30 40 FIEB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/Nc1sc2c(c1C#N)CCC2 101122140 HYEDPLRHNJTRBA-GZTJUZNOSA-N 362.458 4.135 30 40 FIEB C=C(C)COc1cccc(C(=O)NCCCc2ccc(OCC)cc2)c1 219791236 DGEXJXINBRDVIM-UHFFFAOYSA-N 353.462 4.403 30 40 FIEB C=CCN(c1cccc(OC)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 224929816 CLTPKXHFVZVRMQ-UHFFFAOYSA-N 372.273 4.383 30 40 FIEB CN(C)c1ccc(/C=C(/C(=O)c2cccs2)C(=O)C(F)(F)F)cc1 409342142 AANOWKBTSGYLRP-RAXLEYEMSA-N 353.365 4.212 30 40 FIEB COc1ccc(/C=C/C(=O)Nc2sc3c(c2C#N)CCCC3)c(OC)c1 936288 CUDHAWUNLVYLPI-CSKARUKUSA-N 368.458 4.168 30 40 FIEB CCOc1ccccc1/C=N/c1ccc(I)cc1 1087231 JRGKXILVCMEGFY-GZTJUZNOSA-N 351.187 4.441 30 40 FIEB C=CCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccccc1C(C)C 20451841 RSZHQGQEYGIFGU-INIZCTEOSA-N 366.461 4.132 30 40 FIEB O=C(Nc1cc(Cl)cc(Cl)c1)O[C@H]1C[C@@H]2C[C@@H]1[C@H]1C[C@H]3O[C@@H]3[C@H]21 103894601 SCMSVYPLOIDEGK-GIJFEMMQSA-N 354.233 4.354 30 40 FIEB Oc1c(Cl)cc(/C=N/c2ccc(N3CCOCC3)cc2)cc1Cl 408930663 AJCJYZNUINDMRJ-RGVLZGJSSA-N 351.233 4.286 30 40 FIEB CCCn1c(SCC#N)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 2247067 KGWCUXYHMVFKSA-UHFFFAOYSA-N 365.502 4.304 30 40 FIEB Cc1ccc(/C=N/Nc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])s1 4920325 NZSQOXFPMZBIGY-UBKPWBPPSA-N 374.300 4.338 30 40 FIEB N#Cc1ccccc1NC(=O)CSc1nc(-c2ccccc2)cs1 5971954 UGANMUZEZLAPNC-UHFFFAOYSA-N 351.456 4.413 30 40 FIEB CCCN(CCC)Cc1c(O)ccc2c1O/C(=C\c1cccnc1)C2=O 20533523 OPLWLUOMYOOVGN-UNOMPAQXSA-N 352.434 4.025 30 40 FIEB N#Cc1ccc(C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)cc1 22615223 ZUVICBFCSJKIHP-UHFFFAOYSA-N 354.715 4.405 30 40 FIEB CN(C)c1oc(/C=N/c2ccc(C(=O)O)c(Cl)c2)cc1Br 59104593 LCWDGMSLUHYPBE-REZTVBANSA-N 371.618 4.210 30 40 FIEB CCC/C(=N\c1ccc(OC)cc1)C1=C(O)[C@@H](C(=O)OC)C(C)(C)CC1=O 102872570 JQEUIKXPLHWZCD-LUJYGJGBSA-N 373.449 4.168 30 40 FIEB Cc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1ccccn1 409105036 HYTUKWRTZNTGCM-YSURURNPSA-N 359.355 4.349 30 40 FIEB C=CCn1c(=S)sc2c(=O)[nH]c(-c3cccc(OCC(=C)C)c3)nc21 1444478 IDIQKYBUMROKAN-UHFFFAOYSA-N 371.487 4.323 30 40 FIEB C=CCn1c2ccccc2c2nnc(SCCOc3ccccc3)nc21 4623003 OSHDRDQLPHQWJJ-UHFFFAOYSA-N 362.458 4.337 30 40 FIEB COc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)c(OC)c1 7278633 UQUGERHCVAKIRY-UHFFFAOYSA-N 358.397 4.495 30 40 FIEB COc1ccc(C(=O)/C=C/c2cccc(OC)c2OC(F)F)cc1F 7336137 ARSMAUXKULCHRX-SOFGYWHQSA-N 352.308 4.340 30 40 FIEB C[C@]12CC[C@H]3[C@@H]([C@@H]4C[C@@H]4C4=CC(=O)CC[C@@]43C)[C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1 21992663 METQSPRSQINEEU-LPRBJKGUSA-N 366.501 4.306 30 40 FIEB in-vitro N#Cc1c(NS(=O)(=O)c2ccc3ccccc3c2)sc2c1CCCC2 40944765 HLHZYWUTXYIQMX-UHFFFAOYSA-N 368.483 4.453 30 40 FIEB C=CCn1c(NCc2cc(Br)ccc2O)nc2ccccc21 2603034 NMGBUAFDORTRLW-UHFFFAOYSA-N 358.239 4.303 30 40 FIEB N#C/C(=N\Nc1ccc(Cl)cc1)C(=O)c1ccc(Br)cc1 5672301 KGNLIQHVHQHXRE-XSFVSMFZSA-N 362.614 4.277 30 40 FIEB CCOc1ccccc1/C=C1\Oc2cc(OC(=O)C(C)C)ccc2C1=O 9420254 YKJZSZPGXBTQNR-ODLFYWEKSA-N 352.386 4.263 30 40 FIEB Cc1ccc(/N=C2/N=C(O)/C(=C3\C(=O)N(C)c4ccccc43)S2)c(C)c1 12032330 SELFGWBGKYMBHU-WUKNDPDISA-N 363.442 4.382 30 40 FIEB C=CCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc(C)c(C)c1 30754052 NNMUPZBFSFVTJN-HXUWFJFHSA-N 366.461 4.015 30 40 FIEB CCOc1ccccc1O[C@@H]1CCC[C@@H]1Nc1snc(Cl)c1C#N 75148717 LXNUOAWBGVZVCN-QWHCGFSZSA-N 363.870 4.479 30 40 FIEB CCCCOc1ccc(/C=C2/S/C(=N\CC)N(CC)C2=O)cc1OC 109596482 XMBGLFVSBWWCRH-YWKYIXQJSA-N 362.495 4.186 30 40 FIEB C/N=C1/S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])c(C)c3C)o2)C(=O)N1C 111456843 LTXDXXVMZKRJMF-JQHIFNHESA-N 371.418 4.004 30 40 FIEB O=C(O)c1ccc(Cn2cc(/C=N\c3ccccc3O)c3ccccc32)o1 408544154 VEMKAPRVXAXOGQ-JJFYIABZSA-N 360.369 4.437 30 40 FIEB N#Cc1cccc(OCC(=O)N(CCc2ccccc2)Cc2ccccc2)c1 6401987 FRFTUUNJUPIVDV-UHFFFAOYSA-N 370.452 4.209 30 40 FIEB Cc1ccc(-c2cc(C)nc(SCC(=O)Nc3ccccc3C#N)n2)cc1 14152938 KQFJTTMPWZQIHB-UHFFFAOYSA-N 374.469 4.363 30 40 FIEB COc1ccc(-c2ccc(CCC(=O)Nc3sccc3C#N)o2)cc1 14160438 NMSFSRNDVBLMFQ-UHFFFAOYSA-N 352.415 4.460 30 40 FIEB Cc1cc(/N=C/c2ccc(O[C@@H](C)C(=O)O)cc2)ccc1Br 59249374 HYPTZHJUVJSJAG-NJDFMEINSA-N 362.223 4.360 30 40 FIEB Cc1cc(C)cc(N=C2NC(=O)/C(=C/c3ccccc3OCC#N)S2)c1 408815896 SVECWFVQQQKEBU-PDGQHHTCSA-N 363.442 4.097 30 40 FIEB C/N=C1/S/C(=C/c2ccccc2OCc2ccc(C)cc2)C(=O)N1C 408930196 TYSSSCGTXYRDLZ-LLPDMMGZSA-N 352.459 4.106 30 40 FIEB C=C[C@H](C)N1C(=O)S/C(=C\c2cccn2-c2ccc(OC)cc2)C1=O 408952675 MDAFBHLJTWEDEY-IGWPVBGESA-N 354.431 4.097 30 40 FIEB C=C(C)C(=O)Oc1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1 3013899 KYNBXVVEJOMXTR-UHFFFAOYSA-N 357.365 4.122 30 40 FIEB COc1cc(C(=O)NC(c2ccccc2)c2ccccc2)ccc1OCC#N 3351669 NFAZEYHKGMLYAZ-UHFFFAOYSA-N 372.424 4.117 30 40 FIEB C#C[C@]1(OC(C)=O)CC[C@@H]2[C@H]3CCc4cc(OC)ccc4[C@@H]3CC[C@@]21C 4026280 VUOXWYSHLSLTID-HPAIXVDQSA-N 352.474 4.486 30 40 FIEB biogenic N#Cc1ccc(C(=O)Nc2nc3c(Br)cccc3s2)cc1 4348382 IUNUDSWTXCGUIV-UHFFFAOYSA-N 358.220 4.183 30 40 FIEB CCOc1ccccc1/C=C1\C(=O)ON=C1c1ccc(Br)cc1 12412412 VBFCAIMJLWNMEQ-PTNGSMBKSA-N 372.218 4.192 30 40 FIEB CC(C)(C)OC(=O)N1CCC(C#N)(c2ccccc2C(F)(F)F)CC1 79033213 SBUYVHFYNAXUBQ-UHFFFAOYSA-N 354.372 4.498 30 40 FIEB COc1ccc(C(=O)/C(=C/Nc2cccc(C)c2)C(=O)C(F)(F)F)cc1 100862306 ZICTVOIEAYIMOD-WJDWOHSUSA-N 363.335 4.314 30 40 FIEB C=CCSc1nnc(NC(=O)[C@H](CC)Oc2cc(C)cc(C)c2)s1 224809983 OHPIGCMQAQVZDO-AWEZNQCLSA-N 363.508 4.229 30 40 FIEB N#Cc1c(Cc2ccc(Cl)cc2)nn(Cc2ccc(Cl)cc2)c1N 225840233 HEDWJRNLODZBIV-UHFFFAOYSA-N 357.244 4.283 30 40 FIEB N#Cc1cn(C(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c2ccccc12 226361835 YSXUBTWETUVWEY-UHFFFAOYSA-N 357.325 4.370 30 40 FIEB C=CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1OC)CCC3 1836869 VCNXMFABFHVCKE-UHFFFAOYSA-N 370.499 4.223 30 40 FIEB CCC(NC(=O)Nc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F 2096152 HOQWVQPBVQHNTK-UHFFFAOYSA-N 350.209 4.360 30 40 FIEB biogenic Cc1ccc(/C=N/N=C2\S[C@H](C)C(=O)N2Cc2ccccc2)c(C)c1 2357514 VLONDOVIFPMYKE-DIOYOTCZSA-N 351.475 4.157 30 40 FIEB CC[C@@H]1S/C(=N/N=C/c2ccccc2)N(Cc2ccc(F)cc2)C1=O 4901587 HRXBFBYTBLGFIV-AUECTMLASA-N 355.438 4.070 30 40 FIEB C=CCn1c(SCC(=O)c2cc(OC)ccc2OC)nc2ccccc21 5267341 OUWDQKXBAFOYPV-UHFFFAOYSA-N 368.458 4.215 30 40 FIEB C[C@@H]1CCC[C@@H](C)N1C[C@@H](O)CON=C1c2ccccc2-c2ccccc21 11612349 IGMGKOIULCISEA-KZNAEPCWSA-N 364.489 4.060 30 40 FIEB CC(C)(C)C(=O)Oc1ccc(C(=O)/C=C\c2ccc3c(c2)OCO3)cc1 12855727 HYDVYTNGBKHDER-WMZJFQQLSA-N 352.386 4.263 30 40 FIEB C=CCOc1ccc(/C=C2\SC(=S)N(Nc3ccccc3)C2=O)cc1 13618323 OYKRFCSMTWXHEP-LGMDPLHJSA-N 368.483 4.480 30 40 FIEB N#Cc1c(-c2cccn(-c3ccccc3)c2=O)cc(-c2ccccc2)nc1O 16940941 YWKFLQNZKLZOCT-UHFFFAOYSA-N 365.392 4.144 30 40 FIEB N#Cc1ccccc1Sc1ccccc1C(=O)Nn1cnc2ccccc21 27044384 OWQVKDFSSGKWDN-UHFFFAOYSA-N 370.437 4.443 30 40 FIEB C=CCOc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)ns2)cc1 27987472 PFYOUTYVXRPIQD-UHFFFAOYSA-N 355.394 4.161 30 40 FIEB N#CC1(NC(=O)CNc2ccccc2N2CCCCCC2)CCCCCC1 29934735 TVPKOGDKVBCBGX-UHFFFAOYSA-N 368.525 4.212 30 40 FIEB CCOc1cc2c(cc1OCC)CN(c1snc(Cl)c1C#N)CC2 71810535 IYPPYYBUMHFOIT-UHFFFAOYSA-N 363.870 4.028 30 40 FIEB CC(=O)Oc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)c(C#N)c1 225679249 QNMTVZZQCKCVPP-UHFFFAOYSA-N 362.429 4.243 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(Nc2ccccc2F)C[C@@H]1c1ccccc1 1079784 ZPJLFOUFRGXAEH-OXQOHEQNSA-N 353.393 4.057 30 40 FIEB Cc1csc([C@H](C#N)C(=O)COC(=O)c2c(C)c(C)c(C)c(C)c2C)n1 8395167 HMNVIQLPXWPDSZ-MRXNPFEDSA-N 370.474 4.027 30 40 FIEB N#Cc1ccccc1OCC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 10421562 IVFJKQYGLUOWHC-UHFFFAOYSA-N 369.380 4.384 30 40 FIEB C=CCc1cc(OC)ccc1OCc1nnc(-c2ccc(OC)cc2)o1 12980446 MKFZIZNXMRNOFH-UHFFFAOYSA-N 352.390 4.061 30 40 FIEB C=CCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccccc1C(C)C 20451843 RSZHQGQEYGIFGU-MRXNPFEDSA-N 366.461 4.132 30 40 FIEB CC1=NN(c2ccccc2)C(=O)[C@H]1[C@H](c1cccc(Cl)c1)C(C#N)C#N 1064618 JWGRSBYMWCYBHG-RTBURBONSA-N 362.820 4.126 30 40 FIEB CC[C@H](C)c1ccc(OCCOc2cccc(/C=N/n3cnnc3)c2)cc1 4616274 IVNVERPDXQRWOG-ZZQPOVDQSA-N 364.449 4.132 30 40 FIEB O=C(/C=C/c1ccccc1Cl)c1cc(Br)ccc(=O)c1O 4667463 GJEPBLKHWKUJOI-FNORWQNLSA-N 365.610 4.064 30 40 FIEB O=C1/C(=C\Nc2ccc([N+](=O)[O-])cc2Br)CCc2ccccc21 4905377 GLHFKHYYFYADIL-BENRWUELSA-N 373.206 4.482 30 40 FIEB CC(C)c1ccc(C[C@@H]2S/C(=N\N=C\c3cccs3)NC2=O)cc1 6616954 NOBGYHAJUOCJJT-ZVCOJXFSSA-N 357.504 4.036 30 40 FIEB CSc1ccc(/C=C/C(=O)c2ccc(N3CCOCC3)c(F)c2)cc1 7586462 YSPFPMDHAQTVSN-RUDMXATFSA-N 357.450 4.280 30 40 FIEB C#CCOc1c(Br)cc(CNc2ccc(F)cc2)cc1OC 8110583 NGROYCCMHUDPDL-UHFFFAOYSA-N 364.214 4.221 30 40 FIEB COc1ccc(-c2csc(NC(=O)[C@H]3CC=CCC3)n2)cc1CC#N 9479808 KGIFKWGSKGHIDX-ZDUSSCGKSA-N 353.447 4.180 30 40 FIEB Cc1ccc([C@H]2C3=C(CCCC3=O)Nc3c2c(C)nn3-c2ccccn2)o1 13121784 KOXHYVZCANEELI-HXUWFJFHSA-N 360.417 4.042 30 40 FIEB CCOc1ccc(/N=C2/C(=O)Nc3cc(Br)c(C)cc32)cc1 18105481 NLUXVNOLILKVSY-UHFFFAOYSA-N 359.223 4.229 30 40 FIEB COc1cc(/C=C2\C(=O)ON=C2C)ccc1OCc1ccccc1Cl 18125393 AIHILTZJZOJVPC-DHDCSXOGSA-N 357.793 4.244 30 40 FIEB C=CCn1c(C)cc(C(=O)CSc2nc(C)c(C(C)=O)cc2C#N)c1C 25252301 QZQKMEWYHWUZIY-UHFFFAOYSA-N 367.474 4.044 30 40 FIEB C[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)c1ccc(C#N)cc1 26121348 OIUFJNXPFJWFEA-INIZCTEOSA-N 369.424 4.302 30 40 FIEB C=CCOc1cccc(NC(=O)[C@H](C)Sc2ccc(OC)c(OC)c2)c1 38755044 HVPSKUOAWAPESR-AWEZNQCLSA-N 373.474 4.388 30 40 FIEB CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)c1ncccc1C#N 40155551 BQXNZCAVKBFUCV-UHFFFAOYSA-N 363.440 4.332 30 40 FIEB C=CCSc1nnc(NC(=O)c2ccc(OCC)c(Cl)c2)s1 223584705 SOSATSVCLAEOMR-UHFFFAOYSA-N 355.872 4.121 30 40 FIEB C=CCOc1cccc(NC(=S)NCCCc2cccc(OC)c2)c1 225554641 JCUQXWYUDUWXAL-UHFFFAOYSA-N 356.491 4.179 30 40 FIEB C=CCOc1ccc(NC(=S)NC2(c3ccccn3)CCCC2)cc1 225868161 QWVDVGHZCIHEFY-UHFFFAOYSA-N 353.491 4.402 30 40 FIEB CC(C)C(=O)NC(=S)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 408624154 BGMNHYMHNZUXOG-LLVKDONJSA-N 363.552 4.240 30 40 FIEB CCOc1ccc(/N=C2/S[C@@H](Cc3ccccc3)C(=O)N2CC)cc1 409147125 WHBKRPDPSLHMLX-MKSIGINJSA-N 354.475 4.279 30 40 FIEB CC1(C)CC(=O)C2(OC3=C(C(=O)CC(C)(C)C3)[C@H]2c2cccs2)C(=O)C1 727324 LKAGJPVHHCCWHT-GOSISDBHSA-N 372.486 4.202 30 40 FIEB CCc1ccccc1NC(=O)C(=O)[C@H](C#N)c1c(Cl)cccc1Cl 1613830 MWQKCTYWMYREPV-GFCCVEGCSA-N 361.228 4.371 30 40 FIEB S=C(N/N=C/c1ccc(Cl)s1)NC12CC3CC(CC(C3)C1)C2 5030434 XFECJSASFXQJJY-GIJQJNRQSA-N 353.944 4.168 30 40 FIEB C=CCOc1cccc(NC(=O)C2CCN(Cc3ccccc3F)CC2)c1 9063539 XRVNRCYDIQHJDN-UHFFFAOYSA-N 368.452 4.241 30 40 FIEB CC/N=c1\scc(-c2ccc(F)cc2)n1/N=C/c1ccc(F)cc1F 12603325 GMEJFLWGHMCPRL-ALSYLCBWSA-N 361.392 4.437 30 40 FIEB C/N=c1\scc(-c2ccccc2)n1/N=C/c1ccccc1Br 12603821 KARKWIZYSFCXNZ-MXPDZRDSSA-N 372.291 4.392 30 40 FIEB C=CCN1C(=O)c2ccccc2N[C@H]1c1ccc(OCc2cccnc2)cc1 28922922 PUODRCSGWUFESN-JOCHJYFZSA-N 371.440 4.413 30 40 FIEB Cc1ccc(OCC(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1C 32905220 NKDFZQMHWNSXQG-UHFFFAOYSA-N 356.425 4.116 30 40 FIEB N#CCOc1cccc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)c1 96307385 FEHHPZKBNQONIM-SXGWCWSVSA-N 373.195 4.240 30 40 FIEB Oc1c(Cl)cc(/C=N/n2c(S)nnc2-c2ccccc2)cc1Cl 409055502 CGJMKMAFQWDKSF-QGMBQPNBSA-N 365.245 4.128 30 40 FIEB Cc1cccc(/N=C/c2ccc(OCC(=O)O)c(Br)c2)c1C 409211588 OOBVJACLBRYLMJ-DJKKODMXSA-N 362.223 4.280 30 40 FIEB CCOc1c(-c2ccccc2)c(=O)n2c3ccccc3n(CC)c2c1C#N 1609070 MSXAVKKJTQFSMD-UHFFFAOYSA-N 357.413 4.211 30 40 FIEB C=CCOC(=O)c1c(N)n(-c2cccc(C)c2C)c2nc3ccccc3nc12 2233265 UKKOJZBZBMUQKQ-UHFFFAOYSA-N 372.428 4.116 30 40 FIEB CSc1ccc(/C=N/NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 4699036 HQYJJKUFAGBCIC-CPNJWEJPSA-N 362.520 4.018 30 40 FIEB CSc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]nc(O)c32)cc1 12347486 SKUAUNZPXOONFX-AWEZNQCLSA-N 355.463 4.038 30 40 FIEB N#Cc1ccc(C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)cc1 12926728 DPAPFHUKWYREFL-UHFFFAOYSA-N 371.444 4.186 30 40 FIEB N#Cc1c(N)nc2c(c1-c1ccccc1Cl)CN(Cc1ccccc1)CC2 18241848 YXRUDWGXVDGJNN-UHFFFAOYSA-N 374.875 4.414 30 40 FIEB CC(C)(C)C(=O)NCCCC(=O)Nc1cccc(C#Cc2cccs2)c1 30929878 ACZYUDRSBKYGSH-UHFFFAOYSA-N 368.502 4.029 30 40 FIEB CC(C)Sc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2C#N)cc1 53946327 LRKFBGCDNQWLDG-CQSZACIVSA-N 368.458 4.243 30 40 FIEB Cc1ccc(/C=N/c2ccc(S(=O)(=O)Nc3nccs3)cc2)s1 100005157 SERWLGIKTDOCIW-LICLKQGHSA-N 363.489 4.064 30 40 FIEB CCc1ccc(/N=C2/S/C(=C/c3ccc(C(=O)O)cc3)C(=O)N2C)cc1 100299393 MJOBUCCHOSZYLY-UCEMORSKSA-N 366.442 4.181 30 40 FIEB CCOc1cc(/C=N/O)cc(Br)c1OCc1ccc(F)cc1 103848252 LBUQMXVLVRTBSP-DJKKODMXSA-N 368.202 4.374 30 40 FIEB CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)[C@H](C)C[C@]4(C)[C@@]3(F)[C@H](O)C[C@]12C 118929596 CTXGUGSLVSMAHY-DTUQLKJOSA-N 362.485 4.032 30 40 FIEB CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@H]4[C@H]3CC[C@@]21C 253617985 IIVBFTNIGYRNQY-VNKRGGKPSA-N 370.489 4.185 30 40 FIEB CC(=O)Oc1cccc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)c1 408758468 KLMLYHFSWBHDNB-YBEGLDIGSA-N 372.833 4.157 30 40 FIEB C[C@H](C(=O)Nc1ccccc1C#N)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 574928893 FYEBMNIWSGCLNV-RZXSNQJFSA-N 359.473 4.296 30 40 FIEB N#CCCN(CCC#N)c1ccc(/C=C2\C=C(c3ccccc3)OC2=O)cc1 5393048 JITIWWAVXFZXIM-CAPFRKAQSA-N 369.424 4.302 30 40 FIEB COc1cc(/C=N/c2ccccc2)ccc1OCC(=O)Nc1ccccc1 8113202 OGHAGBBSCHAMDU-HZHRSRAPSA-N 360.413 4.463 30 40 FIEB CCN(CC)c1ccc(N/C=C/C(=O)c2ccc3c(c2)OCO3)c(C)c1 44842476 FMSDLQABKQKVCV-ZHACJKMWSA-N 352.434 4.378 30 40 FIEB CCc1ccc(CN(Cc2cccnc2)C(=O)c2cccc(C#N)c2)cc1 57512516 VHFBLPNCYPAUHU-UHFFFAOYSA-N 355.441 4.358 30 40 FIEB O=[N+]([O-])c1cc(/C=N/Nc2ccc(Br)cc2)ccc1Cl 59167153 GFWISTQIQUQOFB-LZYBPNLTSA-N 354.591 4.457 30 40 FIEB COC(=O)c1ccc(/C=C/C(=O)c2ccc(N3CCCCCC3)cc2)o1 65487648 CUMSEROJAZESJG-ZRDIBKRKSA-N 353.418 4.343 30 40 FIEB O=[N+]([O-])c1ccc(C[n+]2ccc(/C(O)=N/c3ccccc3Cl)cc2)cc1 859286 LFAMNUIZKLCGFI-UHFFFAOYSA-O 368.800 4.220 30 40 FIEB Cc1cc(C)c2cc(C#N)c(SCC(=O)Nc3nc(C)cs3)nc2c1 1354435 XAJJXEYRUHDYTP-UHFFFAOYSA-N 368.487 4.219 30 40 FIEB CCc1ccc(/C=C2/S/C(=N\c3ccccc3)N(CCOC)C2=O)cc1 2141493 ODSRQKSHWIFJEV-VYADPRQXSA-N 366.486 4.499 30 40 FIEB N#CCOC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12 3370799 GSUNYOWYKVKJKB-UHFFFAOYSA-N 367.202 4.345 30 40 FIEB COCc1cc(C)nc(SCc2ccc(Br)cc2)c1C#N 4309630 HGCQLTHZOUZWHY-UHFFFAOYSA-N 363.280 4.463 30 40 FIEB O=C1Nc2ccc3c(oc4ccccc43)c2/C1=N/Nc1ccc([N+](=O)[O-])cc1 4863101 KUSZEONNMULGAU-UHFFFAOYSA-N 372.340 4.263 30 40 FIEB Cn1c(N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)nc2ccccc21 7343359 NIPTVVTZYUCARQ-UDWIEESQSA-N 361.361 4.188 30 40 FIEB CC(=O)Nc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1 18113938 PIBSZKYVAVQYBX-UHFFFAOYSA-N 355.397 4.436 30 40 FIEB CN(C)c1ccc([C@H]2C3=C(CCCC3=O)Nc3cc4c(cc32)OCO4)cc1 18196810 RNFMITJIPBGIKI-OAQYLSRUSA-N 362.429 4.046 30 40 FIEB N#Cc1ccc(C(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)cc1 40110745 AKMCSYAYQYYOQD-UHFFFAOYSA-N 365.408 4.468 30 40 FIEB C=CCc1ccc(OCC(=O)Nc2cccc(N3CCCC3)c2)c(OC)c1 40146375 NTIGAXKNFAQLQS-UHFFFAOYSA-N 366.461 4.041 30 40 FIEB C[C@@H]1CC[C@@H]2C(=O)N(c3ccccc3Oc3ccc(C#N)cc3)C(=O)[C@@H]2C1 44803110 HMZXAWYUUQMUNV-FHLIZLRMSA-N 360.413 4.276 30 40 FIEB CC(=O)N(C)c1nc(/C=C/C(=O)c2ccc(N3CCCCC3)cc2)cs1 58175096 LESYNKGNJKYJCD-DHZHZOJOSA-N 369.490 4.012 30 40 FIEB C#CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2ccccc2)NC1=O 408533164 XJGUSSTUOZJBCA-ATVHPVEESA-N 368.845 4.244 30 40 FIEB C[C@@H]1CCc2c(sc(NC(=O)COc3ccccc3Cl)c2C#N)C1 1959819 IDFPNSGMYHVVKK-LLVKDONJSA-N 360.866 4.415 30 40 FIEB C#CCOc1ccc(/C=C2/N=C(/C=C/c3ccccc3)OC2=O)cc1OCC 2168782 WMGWHZXXSAOEHC-CIMKDXRFSA-N 373.408 4.107 30 40 FIEB O=C1C[C@H](c2cccs2)CC2=C1[C@H](/C=C/c1ccccc1)n1ncnc1N2 4435957 OBOPHFVPGNOROT-HMOMSXHPSA-N 374.469 4.420 30 40 FIEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)S2)c(C)c1 12032563 JCPXBUICLPECLD-YBEGLDIGSA-N 353.403 4.103 30 40 FIEB Fc1ccccc1N/C(S)=N/N=C/c1ccccc1Br 13468841 ITXAOUGARQFJLP-RQZCQDPDSA-N 352.232 4.320 30 40 FIEB COc1ccc(OC)c([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3onc(C)c32)c1 13688955 DCBSFBPZJBMBMF-SFHVURJKSA-N 368.433 4.201 30 40 FIEB Cc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1cccc(Cl)c1 16157360 QRUZXZCZZOQVJE-FBHDLOMBSA-N 369.812 4.497 30 40 FIEB Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)n1 24284021 FANFRWQQXGPHHW-RYUDHWBXSA-N 371.428 4.162 30 40 FIEB Cc1ccc([C@H]2CCCN2C/C(O)=N/c2nnc(-c3ccccc3)o2)cc1 26924674 ZKXBTNNPSHAOJR-GOSISDBHSA-N 362.433 4.470 30 40 FIEB CN(CC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1)C1CCCCC1 58980025 HCTOOUUMRMEUOI-QGZVFWFLSA-N 353.491 4.251 30 40 FIEB Cc1sc(NC(=O)c2ccc(N3CCCCCC3)nc2)c(C#N)c1C 95349490 HENOJDOHMILWPF-UHFFFAOYSA-N 354.479 4.264 30 40 FIEB N=C(N/N=C\c1cccc2ccccc12)N/N=C\c1cccc2ccccc12 104392471 DSIMGAKNHDMJLZ-YXHOTNNGSA-N 365.440 4.475 30 40 FIEB CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@@H](C)C4=CC(=O)CC[C@]4(C)[C@@]3(F)C(=O)C[C@]12C 118922758 RNNCAOFZFWZGLS-KJNYTMNMSA-N 360.469 4.241 30 40 FIEB C=CCN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(OC)c(C)c1 224646223 WOESLXWDANIZKO-UHFFFAOYSA-N 365.882 4.347 30 40 FIEB N#Cc1ccc(COc2ccc(-c3nc(=O)c4ccccc4[nH]3)cc2)cc1 575410847 GFEIIXYVDBWTMP-UHFFFAOYSA-N 353.381 4.041 30 40 FIEB CNc1ncc(C(=O)C/C=N/OCc2c(Cl)cccc2Cl)s1 4091361 MUBVJNCQFMHGHY-KPSZGOFPSA-N 358.250 4.267 30 40 FIEB Cc1cccc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ncnn32)c1 5246709 QRYDFAFKCAXGGZ-LAUBAEHRSA-N 356.429 4.002 30 40 FIEB CSc1ccc(COC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1 8403112 ZWTVMBBMQUFCPI-UHFFFAOYSA-N 352.415 4.329 30 40 FIEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN3CCCCC3)c2C#N)C1 14186418 FALPOVHTEQFUBT-AWEZNQCLSA-N 359.539 4.195 30 40 FIEB N#Cc1ccc(NC(=O)CSc2nccn2-c2ccccc2)cc1Cl 24928053 XWURHKOJVLUFRQ-UHFFFAOYSA-N 368.849 4.128 30 40 FIEB Clc1cccc(/N=C/c2cc(Br)c(N3CCOCC3)o2)c1 59679021 GZGNZEVEUVANSE-VCHYOVAHSA-N 369.646 4.283 30 40 FIEB CCc1c(C)c(C#N)c2[nH]c3ccccc3n2/c1=N/c1ccc(N(C)C)cc1 102800036 OFXPCAYWOTUJBP-YYDJUVGSSA-N 369.472 4.462 30 40 FIEB C#CCN1C(=O)S/C(=C\c2cc3c(cc2C)N(C)C(C)(C)C=C3C)C1=O 208461805 KBSNRZRSALXCRR-WQRHYEAKSA-N 366.486 4.296 30 40 FIEB O=C(Nc1ccc(Cl)cc1)[C@H]1Cc2c(ccc3ccccc23)O/C1=N\O 1889277226 AVFUCDXNOGEUNA-HLGQQVFSSA-N 366.804 4.471 30 40 FIEB CCN(CC)c1ccc(/C=N/NC(=S)Nc2c(C)cccc2C)c(O)c1 3271631 FVIWFJRQJKNALI-FYJGNVAPSA-N 370.522 4.176 30 40 FIEB CC[C@H]1S/C(=N/N=C/c2cccs2)N(Cc2ccccc2C)C1=O 4954861 LUNBIPKQPZWQIZ-QPNCIOBRSA-N 357.504 4.301 30 40 FIEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 6219951 MBPZCVGXIDLROT-FRKPEAEDSA-N 355.137 4.256 30 40 FIEB CCOc1ccc2sc(/N=C\c3cc([N+](=O)[O-])cc(OC)c3O)nc2c1 6554588 GRDIIPSRMPXGMP-NVMNQCDNSA-N 373.390 4.068 30 40 FIEB N#Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 6935516 QLVWEDNWZQJVDY-UHFFFAOYSA-N 360.744 4.031 30 40 FIEB Cc1cc(=O)oc2cc(OCCOc3ccc(C#N)cc3)c(Cl)cc12 10071210 VPEJUYQLKMYACC-UHFFFAOYSA-N 355.777 4.084 30 40 FIEB CCOC(=O)/C(=N\Nc1ccccc1)Sc1cccc2cccnc12 12412168 PHUNLOXFFIZBNZ-RELWKKBWSA-N 351.431 4.316 30 40 FIEB CCN1C(=O)/C(=C/c2cc(C)n(C)c2C)S/C1=N/c1ccc(OC)cc1 15985706 VJPWEKULSIRIJI-UMWYYCSLSA-N 369.490 4.274 30 40 FIEB C/N=C1/S/C(=C\c2cc(C)n(-c3cc(C)ccc3C)c2C)C(=O)N1C 59104098 DYAPXCWJKNZRNS-HVEIJDALSA-N 353.491 4.243 30 40 FIEB O=[N+]([O-])c1ccc(Cl)c(/C=N/N=C/c2cc([N+](=O)[O-])ccc2Cl)c1 59513724 SLJNPVBNAUSLCM-ZEELXFFVSA-N 367.148 4.263 30 40 FIEB Cc1ccc(C(C)C)cc1COc1nn(Cc2ccccc2)c(N)c1C#N 225839025 LTCFQTGJFKRDAC-UHFFFAOYSA-N 360.461 4.396 30 40 FIEB C=CCN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)C1=O 409096843 MHRWXTNDWPGBJF-MHWRWJLKSA-N 370.386 4.386 30 40 FIEB Cc1cc(I)c(O)c(/C=N/c2ccc(F)cc2)c1 1433555 QFFPGIKYPYSBCG-CAOOACKPSA-N 355.150 4.195 30 40 FIEB C=CCOC(=O)Oc1ccc2c(=O)c(Oc3ccc(OC)cc3)coc2c1 1777080 TYSBRWHJNOXCLI-UHFFFAOYSA-N 368.341 4.295 30 40 FIEB Cc1csc(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)n1 2616377 DKWUUIFSCFCDCW-VIFPVBQESA-N 363.533 4.240 30 40 FIEB CCOc1cc(C#N)c(Br)c(Br)c1OC(C)C 2764013 ZQLQIAKLARCXRM-UHFFFAOYSA-N 363.049 4.269 30 40 FIEB N#Cc1ccccc1OCC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 6849654 JFUOHAZUQRNNOY-NRFANRHFSA-N 356.425 4.037 30 40 FIEB Cc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1ccccc1F 9108627 MRQMQGDGZIRULF-LHSJRXKWSA-N 374.419 4.141 30 40 FIEB Fc1ccccc1/N=c1\scc(-c2ccco2)n1/N=C/c1cccnc1 15910454 DWTGSVLMVDDLDD-LNHBQHCISA-N 364.405 4.458 30 40 FIEB CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1cccc(C#N)c1 16376314 MDYNRLCNDARGOF-UHFFFAOYSA-N 361.367 4.038 30 40 FIEB N#Cc1cccc(S(=O)(=O)Nc2ccccc2SCC(F)(F)F)c1 22475025 OUCMYYPXUAPUHI-UHFFFAOYSA-N 372.393 4.013 30 40 FIEB CC(C)(C)OC(=O)N1CCC(C#N)(c2ccccc2Br)CC1 72233821 GFNKYSDJZBSDQR-UHFFFAOYSA-N 365.271 4.241 30 40 FIEB C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nccn1C1CC1 95953391 LFAUXPILZLKBEU-CYBMUJFWSA-N 372.519 4.343 30 40 FIEB C/C(=N\O)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N\O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C 118917609 XRIBCZBNOYMDRN-XWWHOZQNSA-N 358.482 4.425 30 40 FIEB Cc1ccc2nc(NCc3ccccc3)c(/C=N/c3ccccc3)c(=O)n2c1 1050743 GPSXXDPKNVJPQW-BUVRLJJBSA-N 368.440 4.366 30 40 FIEB CCOc1ccc2ccccc2c1/C=N/n1c(S)nnc1C(F)(F)F 5444703 GSKJLFWCLVCSKV-AWQFTUOYSA-N 366.368 4.020 30 40 FIEB O=C(O)c1cccc(N/N=C/c2ccc(OC(F)F)cc2OC(F)F)c1 6047215 VAYVBGROKAWCCG-ODCIPOBUSA-N 372.274 4.034 30 40 FIEB CC(=O)/C(=C\n1c(=S)[nH]c2ccccc21)C(=O)Nc1ccccc1C 6268410 JREIFCCJYVQCDF-SDNWHVSQSA-N 351.431 4.076 30 40 FIEB COc1ccc(C(=O)/C=C/c2ccccc2OC(C)C)cc1CC(=O)O 32890846 JDKYIERNDYLWAT-CSKARUKUSA-N 354.402 4.006 30 40 FIEB CC(=O)C1=C(Nc2ccccc2)C[C@](C)(O)[C@H](C(C)=O)[C@@H]1c1ccccc1 102674728 FEAUWCGFLYHOEV-ZLNRFVROSA-N 363.457 4.085 30 40 FIEB N#Cc1c(O)c(/N=N\c2ccc(Cl)cc2)c(=O)n2c1[nH]c1ccccc12 104303591 QPGDHGWQNUYTRD-FCQUAONHSA-N 363.764 4.427 30 40 FIEB C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(C#N)c2)nc2ccccc21 4485645 DRMXBFUYEDFTPJ-AWEZNQCLSA-N 362.458 4.213 30 40 FIEB N#CCCn1cc(C(=O)Nc2ccccc2Cl)c(-c2cccs2)n1 4516878 QYLJLDLGAYBABI-UHFFFAOYSA-N 356.838 4.431 30 40 FIEB N#Cc1ccc(-c2ccccc2)nc1SC(=O)c1cccc([N+](=O)[O-])c1 5741174 CYHXGTOUFMLTCN-UHFFFAOYSA-N 361.382 4.461 30 40 FIEB CCCCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)c2ccccc2)cc1 5866841 OERUSXVLIJADJO-HXUWFJFHSA-N 364.445 4.376 30 40 FIEB COc1ccc(N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 12555678 DMKMTZFMHVCIDO-CYBMUJFWSA-N 369.490 4.336 30 40 FIEB C=CCSc1nnc(NC(=O)COc2ccccc2C(C)(C)C)s1 25723602 SIHCMXQJVHJLGX-UHFFFAOYSA-N 363.508 4.131 30 40 FIEB Cc1ccc2c(c1C)N(CCOc1ccc(C(C)(C)C)cc1)C(=O)/C2=N\O 46084669 QYCUQZBTSCUESI-NMWGTECJSA-N 366.461 4.205 30 40 FIEB N/C(=N\O)c1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 98073398 KRYNNWTWOXXABM-UHFFFAOYSA-N 373.412 4.142 30 40 FIEB C#CCOC(=O)/C=C/c1cccc(OCc2ccc(Br)cc2)c1 216896924 GBYITYVXEZBWAC-DHZHZOJOSA-N 371.230 4.218 30 40 FIEB Cc1ccc(/C=C2\SC(=Nc3cccc(Br)c3)NC2=O)o1 408739762 ACPCGAUJWPWXSO-JYRVWZFOSA-N 363.236 4.242 30 40 FIEB CCOC(=O)CCSc1nc(C(C)(C)C)cc(C(F)(F)F)c1C#N 804133 NALFZUYCEFAQMQ-UHFFFAOYSA-N 360.401 4.315 30 40 FIEB Oc1c(Cl)cc(Br)cc1/C=N/c1ccc2c(c1)OCCO2 1435425 YIMCELGUKNKTJS-QGMBQPNBSA-N 368.614 4.330 30 40 FIEB Cc1ccc(N2CCN(/N=C/C=C3/N(C)c4ccccc4C3(C)C)CC2)cc1 3167245 ZPXRQUBDMXVLQK-SUQYBGNLSA-N 374.532 4.414 30 40 FIEB CC(C)[C@H]1CC[C@@H](C)C2=C1N[C@@H](c1ccccc1)C(C#N)(C#N)C2(C#N)C#N 4811425 CNUAJBSOIJZAHJ-BLIXFSHQSA-N 369.472 4.354 30 40 FIEB O=C(/C=C/c1ccc(Br)cc1F)c1ccc([N+](=O)[O-])cc1 6338666 XXKRUTKXFPKTMJ-XBXARRHUSA-N 350.143 4.393 30 40 FIEB Cc1ccc(Cn2nc(C)c(/C=N/Nc3ccc(C(=O)O)cc3)c2C)cc1 7779182 XOOJLYGQYIKEGA-WSDLNYQXSA-N 362.433 4.001 30 40 FIEB C=CCn1c(SCC(=O)c2ccccc2OC)nnc1-c1occc1C 8232874 YNMONIDEDBYOGY-UHFFFAOYSA-N 369.446 4.016 30 40 FIEB CCc1nc(C)c(C#N)c(S[C@H](C)C(=O)Nc2ccccc2C(C)C)n1 12787275 QMTFXHUQBCLLOP-CQSZACIVSA-N 368.506 4.462 30 40 FIEB COc1ccccc1/N=C1\C(=O)c2ccccc2C(O)=C1N1CCCCC1 13496617 CKMFSEFIICIERE-NMWGTECJSA-N 362.429 4.377 30 40 FIEB COc1ccccc1CN/N=C/c1ccccc1OCc1cccc(C#N)c1 20762720 BFTASNXBMOASSK-WGOQTCKBSA-N 371.440 4.270 30 40 FIEB Cc1ccccc1[C@@H]1CCCN1CC(=O)N(CCC#N)c1ccccc1F 52212751 CLJPYXKCWHEBJW-FQEVSTJZSA-N 365.452 4.218 30 40 FIEB CCCCN(C)C(=O)Nc1cccc(C#Cc2cccc(C(=O)OC)c2)c1 58167248 RTSDXNVZRDMLCW-UHFFFAOYSA-N 364.445 4.137 30 40 FIEB CCOc1ccc(/N=C2/S[C@H](Cc3ccccc3)C(=O)N2CC)cc1 409147129 WHBKRPDPSLHMLX-PNBGARPFSA-N 354.475 4.279 30 40 FIEB COC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1Cc1ccc(C#N)cc1 1353671 LRRCVGZRASPRRO-UHFFFAOYSA-N 373.387 4.278 30 40 FIEB aggregator COc1ccc(CCNc2oc(COc3ccc(C)cc3)nc2C#N)cc1 2204656 GOZSUKLKFOEVCJ-UHFFFAOYSA-N 363.417 4.097 30 40 FIEB CCOC(OCC)c1ccc(C(=O)[C@H]2O[C@H]2c2ccc(Cl)cc2)o1 3168017 OLQGSWFGXHFFAW-DLBZAZTESA-N 350.798 4.327 30 40 FIEB C#CCOc1c(Cl)cc(C=C2C(=O)c3ccccc3C2=O)cc1OCC 6350932 CDXUZQSNXDBRFP-UHFFFAOYSA-N 366.800 4.213 30 40 FIEB COc1ccccc1N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 8141494 VJFKVVURLQDMGU-CYBMUJFWSA-N 369.490 4.336 30 40 FIEB CCn1ncc2c(C(=O)Nc3cccc(C#N)c3)cc(-c3cccs3)nc21 11459576 CVHXCNNUGXKILO-UHFFFAOYSA-N 373.441 4.304 30 40 FIEB CN1C=C(C(=O)/C=C/c2ccc(F)cc2)[C@@H](c2ccc(Cl)cc2)NC1=O 12389601 MIKWRFPMQZNIBN-OINDORCXSA-N 370.811 4.342 30 40 FIEB C[C@H](NCc1cn(CCC#N)nc1-c1cccc(Cl)c1)c1cccnc1 12544018 UADWEEBBKWBYIP-HNNXBMFYSA-N 365.868 4.363 30 40 FIEB N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc3ccccc3c2)CC1 16046808 ZTKQEQOUIDILNX-JOCHJYFZSA-N 373.431 4.002 30 40 FIEB NC(=S)N/N=C1\c2cc(Cl)ccc2-c2c(Cl)cc(Cl)cc21 16954078 SSCFWVXYEZDYHV-CPNJWEJPSA-N 356.665 4.213 30 40 FIEB N#Cc1ccc(N2CCC[C@@H]2c2nc3ccccc3s2)c([N+](=O)[O-])c1 20667850 UMFNFKKNSOCQEE-OAHLLOKOSA-N 350.403 4.418 30 40 FIEB CCCN(Cc1nnc(-c2cccs2)o1)Cc1cc(C#N)ccc1F 22515523 XPKRKTAHXXVQPH-UHFFFAOYSA-N 356.426 4.221 30 40 FIEB Cc1ccc(-c2nc(C#N)c(NC[C@H](c3ccsc3)N(C)C)o2)cc1 72238609 IZMNEDVCSWDJCH-QGZVFWFLSA-N 352.463 4.298 30 40 FIEB Cc1ccc(CN2C(=O)S/C(=C\c3ccccc3OCC#N)C2=O)cc1 106701205 DZSXIIAYJZEXTI-PDGQHHTCSA-N 364.426 4.134 30 40 FIEB C=CCn1c(SCC(=O)c2cccn2C)nnc1-c1cccc(Cl)c1 122540261 SDEKSRUNLKWNMV-UHFFFAOYSA-N 372.881 4.098 30 40 FIEB C/N=C1/S/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)C(=O)N1C 408929242 IOWUOLDTPXRLIR-LLPDMMGZSA-N 352.459 4.106 30 40 FIEB C=C[C@@H](C)N1C(=O)S/C(=C\c2cccn2-c2ccc(OC)cc2)C1=O 408952677 MDAFBHLJTWEDEY-KAECEXQPSA-N 354.431 4.097 30 40 FIEB Cc1ccc(-c2nc(C#N)c(NC[C@H](C)N3C[C@@H](C)C[C@H](C)C3)o2)cc1 1775965014 QAAYMOAWVASRHC-ULQDDVLXSA-N 352.482 4.300 30 40 FIEB CCOC(=O)/C(=N/C(C)(C)C)NNc1cc(C(F)(F)F)ccc1Cl 3188160 KKCOEXMMUUOCCV-UHFFFAOYSA-N 365.783 4.035 30 40 FIEB Cc1ccc(C(=O)C[C@@H](C(=O)O)c2cn(CCC#N)c3ccccc23)cc1 3644716 RXWXVZSTVVTZKV-GOSISDBHSA-N 360.413 4.305 30 40 FIEB N#Cc1ccc(OCC(=O)N(CCc2ccccc2)Cc2ccccc2)cc1 5108980 MGOGPDKFUIGGFZ-UHFFFAOYSA-N 370.452 4.209 30 40 FIEB N#CCCn1c(SCC(=O)c2cc(F)ccc2F)nc2ccccc21 5265443 HZLRNDUVXUGDMK-UHFFFAOYSA-N 357.385 4.203 30 40 FIEB C=CCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc(Cl)cc1 8478295 SDNFTUBGGOVUBZ-SFHVURJKSA-N 372.852 4.052 30 40 FIEB N#Cc1ccccc1NC(=O)COc1ccc(C2SCCCS2)cc1 60944132 OWQYBORWDJDWEW-UHFFFAOYSA-N 370.499 4.444 30 40 FIEB Cc1ccc2c(c1)/C(=N/O)C(=O)N2CCCOc1ccc2ccccc2c1 101101690 BIFYWCMWCNYPDT-LNVKXUELSA-N 360.413 4.142 30 40 FIEB CCOC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 169795733 GLEDKQIBXZHWHG-UHFFFAOYSA-N 372.130 4.263 30 40 FIEB C/N=C1\S/C(=C\c2cc3c(cc2C)N(C)C(C)(C)C[C@H]3C)C(=O)N1C 260567406 LCWPTCZIWADCKN-KSMZTOFZSA-N 357.523 4.249 30 40 FIEB CCN1C(=O)/C(=C\c2ccccc2OC)S/C1=N/c1ccc(F)cc1 409251822 WLSJPSOBJSHWRH-HWWZFDGNSA-N 356.422 4.458 30 40 FIEB N#Cc1nc(-c2ccc([N+](=O)[O-])cc2)oc1NCc1ccccc1Cl 2369247 UECWDYFFGKISMG-UHFFFAOYSA-N 354.753 4.387 30 40 FIEB Cc1cccc(C)c1NC(=S)N/N=C/c1cccc(Br)c1 3232568 YWMLLEPAQCIUSF-VCHYOVAHSA-N 362.296 4.386 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(OC)c2)C[C@@H]1c1cccc(F)c1 4919187 QCGHJAJBYGGGBW-CTNGQTDRSA-N 368.404 4.154 30 40 FIEB CCCOc1ccc(/C=N/Nc2cccc(C(=O)O)c2)c(OCCC)c1 4923124 ZPVMGPDHEGJVRK-KGENOOAVSA-N 356.422 4.408 30 40 FIEB CCOC(=O)c1ccc(NC(=O)c2ccc(/N=C/c3ccco3)cc2)cc1 6155069 JUYBAWSDDACUIR-HYARGMPZSA-N 362.385 4.459 30 40 FIEB C=CCNCc1cc(Br)ccc1OCc1ccccc1F 6855864 YKDACTIKXNAZAR-UHFFFAOYSA-N 350.231 4.443 30 40 FIEB CC(C)[C@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 26758792 JCSDFPJCWYHHKT-IBGZPJMESA-N 353.378 4.047 30 40 FIEB C=CCSc1nnc(NC(=O)c2cc(-c3ccc(C)c(C)c3)on2)s1 27582479 IHQGLXVGYWVLGC-UHFFFAOYSA-N 372.475 4.340 30 40 FIEB COc1ccc([C@@H]2C3=C(CCCC3=O)N=C3c4ccccc4C(=O)[C@@H]32)cc1 1458723 JANRNVVSRSVHGD-TZIWHRDSSA-N 357.409 4.101 30 40 FIEB C=CCn1c(SCC(=O)c2cc(C)ccc2C)nc2ccccc2c1=O 3437367 JTYANEOSHQNODL-UHFFFAOYSA-N 364.470 4.174 30 40 FIEB C=CCn1c(SCCOc2ccccc2)nnc1-c1cccc(F)c1 4736176 IFYMFGXALHLWFM-UHFFFAOYSA-N 355.438 4.441 30 40 FIEB COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1Br 13140918 BMTHNIOJOXDVET-GORDUTHDSA-N 361.191 4.083 30 40 FIEB CSc1nnc(C)n1/N=C/c1ccc(COc2cccc(Cl)c2)o1 36611518 ITARYEGQAAZCNS-GIJQJNRQSA-N 362.842 4.016 30 40 FIEB CN(C)/C=C(/C(=O)c1ccc(OCc2ccccc2)cc1)c1ccncc1 75172845 GIUSHALTNVVAIW-CJLVFECKSA-N 358.441 4.446 30 40 FIEB C/C(=N\Nc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccccc1O 83813385 UHJSPUSEEBKURA-XQNSMLJCSA-N 369.428 4.476 30 40 FIEB CCN1C(=O)/C(=C\c2ccc(N(C)C)cc2)S/C1=N/c1ccccc1 96609933 SUFVQPBLRKGLJS-SXFBWKAHSA-N 351.475 4.377 30 40 FIEB C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224950461 YRNCNDQPICCPSH-UHFFFAOYSA-N 372.273 4.383 30 40 FIEB O=C(O)c1ccc(Cn2cc(/C=N/c3ccc(O)cc3)c3ccccc32)o1 408542034 JGZCWSZCDPMIEY-SSDVNMTOSA-N 360.369 4.437 30 40 FIEB CC(C)CSc1nc2ccccc2n1CC(=O)Nc1cccc(C#N)c1 6313614 LQJNRAKFRUXSGP-UHFFFAOYSA-N 364.474 4.295 30 40 FIEB CCOc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(N(C)C)cc2)S1 6870631 WXNKMECAMOPNFO-AQTBWJFISA-N 367.474 4.043 30 40 FIEB CCOC(=O)c1c(-n2c(C)cc(C(=O)CC#N)c2C)sc2c1CCCC2 96305905 UUOUBWZJIICKFR-UHFFFAOYSA-N 370.474 4.308 30 40 FIEB C/N=C1\S/C(=C\c2ccc(-c3cc(Cl)ccc3OC)o2)C(=O)N1C 101207757 SOQMQGSPBMBIRT-PRUKMKNLSA-N 362.838 4.141 30 40 FIEB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C(C)=O)CC[C@H]4[C@@H]3C[C@@H]3O[C@]32C1 118917584 JRCRFBRVIWOWLF-CYCFFUSKSA-N 374.521 4.297 30 40 FIEB C#CCOC(=O)c1ccc(OCc2ccc(C)cc2)c(Br)c1 216817861 KRNCYMINOGUWJP-UHFFFAOYSA-N 359.219 4.127 30 40 FIEB C=CCc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(OC)c1OC 408904623 MIKYZBNKJRATMO-CPNJWEJPSA-N 362.429 4.238 30 40 FIEB COc1ccc(-c2oc(NC(C)=O)c(C#N)c2-c2ccc(OC)cc2)cc1 3117653 HEYMAWOJWMPZLF-UHFFFAOYSA-N 362.385 4.461 30 40 FIEB N#Cc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1 3435884 KMCFMRVDJFXYJT-UHFFFAOYSA-N 350.399 4.151 30 40 FIEB Cc1cccc(-n2c(C)cc(/C=N/Nc3ccc([N+](=O)[O-])cn3)c2C)c1C 4047990 FOJCTEFBOOCYJR-SSDVNMTOSA-N 363.421 4.460 30 40 FIEB COc1ccc(/C=C2\S/C(=N/c3ccc(O)cc3)N=C2O)c(OC)c1 6642028 XJSGCXPWIMCSTM-SXGWCWSVSA-N 356.403 4.141 30 40 FIEB C=CCSc1nnc2nc3c(c(O)n12)C1(CCCC1)Cc1ccccc1-3 8656161 VPXKJXAXPXTMDV-UHFFFAOYSA-N 364.474 4.143 30 40 FIEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H](C)c1ccc(Cl)cc1 12805984 CWIXGTUWPLVTFQ-LBPRGKRZSA-N 353.809 4.395 30 40 FIEB CN(C)Cc1cc(C(=O)/C=C/c2cccc(Cl)c2)cc(CN(C)C)c1O 16958868 UJJOHVTVDSYXAP-CMDGGOBGSA-N 372.896 4.065 30 40 FIEB C[C@]12CC[C@H]3[C@@H]([C@@H]4C[C@H]4C4=CC(=O)CC[C@@]43C)[C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1 118913211 METQSPRSQINEEU-YYJWRCNRSA-N 366.501 4.306 30 40 FIEB C#CCOc1ccc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)cc1 211509572 SJFJTDSDEFGLSE-ATVHPVEESA-N 351.383 4.058 30 40 FIEB N#Cc1ccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2)c(F)c1 1068939 LMMRWJUKYVJZMI-UHFFFAOYSA-N 358.332 4.153 30 40 FIEB COCCN1C(=O)/C(=C/c2ccc(C)s2)S/C1=N\c1ccccc1 2141970 OJDAOFFGGUBDHR-CEVXTBJXSA-N 358.488 4.307 30 40 FIEB C=CCN1C(=O)C2=C(N[C@H]1SCC)c1ccccc1CC21CCCC1 2216364 DDPVSMYZBAUXEE-HXUWFJFHSA-N 354.519 4.169 30 40 FIEB Cn1cccc1/C=C1/S/C(=N/c2cccc(Cl)c2Cl)NC1=O 4745799 WKRKMGASVKWTJW-XYOKQWHBSA-N 352.246 4.224 30 40 FIEB CC[C@H]1S/C(=N\N=C\c2ccc(C)cc2)N(Cc2ccccc2)C1=O 4903619 LFVQYSJCHCIVRM-UAQCVPFCSA-N 351.475 4.239 30 40 FIEB Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccco2)cc1 5988411 JZYWWEOIDNRCBK-HXUWFJFHSA-N 373.408 4.367 30 40 FIEB C=CCn1c(SCc2c(C)noc2C)nnc1-c1ccccc1OC 6147825 JWMKEGGWFHUZOD-UHFFFAOYSA-N 356.451 4.037 30 40 FIEB COc1cc(CNC(=O)c2cccc(C#N)c2)ccc1OCc1ccccc1 7648930 SCRMZZSMSACVJS-UHFFFAOYSA-N 372.424 4.076 30 40 FIEB C=CCN1C(=O)[C@@H](Cc2ccc(C)cc2)S/C1=N/N=C/c1cccs1 7966309 MJQLNFJNHHHFJN-MHCYFFLUSA-N 369.515 4.119 30 40 FIEB N#Cc1ccc(-c2ccccc2)nc1SCC(=O)Nc1ccc(F)cc1 8783530 DDTDOJTVRZNTBG-UHFFFAOYSA-N 363.417 4.490 30 40 FIEB Clc1cccc(Cl)c1CON/C=N\c1ncnc2sccc12 13858382 LEDKNQUOOFOANV-UHFFFAOYSA-N 353.234 4.379 30 40 FIEB Cc1cc(-c2cc(C(=O)OCCCC#N)c3c(C)noc3n2)c(C)s1 36735196 MHKZJDYLDXGOCQ-UHFFFAOYSA-N 355.419 4.337 30 40 FIEB O=[N+]([O-])c1cc(Cl)cc(/C=N/Nc2ccccc2C(F)(F)F)c1O 38175820 KQQNYTXSNCANJT-FBCYGCLPSA-N 359.691 4.419 30 40 FIEB C[C@@H](NC(c1ccccc1)c1ccccc1)C(=O)Nc1cccc(C#N)c1 58160574 RGGNATSGRSCAEY-QGZVFWFLSA-N 355.441 4.264 30 40 FIEB O=C(/C=C/NCc1ccc2c(c1)OCO2)c1ccc(Cl)cc1Cl 107656771 CSZMVLBQZNALGC-AATRIKPKSA-N 350.201 4.208 30 40 FIEB Cc1ccc(N/N=C2\C(=O)Nc3c2cccc3C(F)(F)F)cc1Cl 223742474 FUWCIGVOHQOEDX-UHFFFAOYSA-N 353.731 4.436 30 40 FIEB CC(C)c1ccc(N/N=C2\C(=O)Nc3ccc(Br)cc32)cc1 223763741 RIJKOUFISSYQGP-UHFFFAOYSA-N 358.239 4.341 30 40 FIEB CCN1C(=O)/C(=C\c2ccccc2[N+](=O)[O-])S/C1=N/c1ccc(F)cc1 409239932 OQCQZANITUFBNM-YYUDZJCFSA-N 371.393 4.358 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccs2)C[C@@H]1c1ccccc1OCC 4918900 MYJCZPVVTISDHE-UZLBHIALSA-N 370.470 4.466 30 40 FIEB Cc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccnc2)C3=O)cc1 5179925 KJSPVDFSDDXCKR-JAIQZWGSSA-N 357.365 4.225 30 40 FIEB COc1ccc(/C=C2\S/C(=N\c3cccc(C)c3C)NC2=O)c(OC)c1 18206370 UOANGOJGUCZQAD-ZDLGFXPLSA-N 368.458 4.212 30 40 FIEB N#Cc1cccnc1NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 48289302 DEFXXCYQXJKFSP-UHFFFAOYSA-N 360.383 4.049 30 40 FIEB C/C(=N\OCC(=O)Nc1c(C)cc(C)cc1Cl)c1ccc2c(c1)CCO2 98052636 FSFIKXSCSXGWLW-OEAKJJBVSA-N 372.852 4.271 30 40 FIEB C[C@]12CC[C@H]3[C@H]([C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1)[C@H]1C[C@@H]1C1=CC(=O)CC[C@@]13C 118913210 METQSPRSQINEEU-DLNQIPSPSA-N 366.501 4.306 30 40 FIEB CCOc1ccc(-c2c(-c3ccccc3)c[nH]c(=N)c2C#N)cc1OCC 408978127 HEJCFQIGFKGXRJ-UHFFFAOYSA-N 359.429 4.497 30 40 FIEB C=CCN1C(=O)/C(=C\c2ccc(OCCC)c(OCC)c2)SC1=S 409329840 HJHCJMKKAFXSOB-FOWTUZBSSA-N 363.504 4.261 30 40 FIEB N#Cc1cc(C(=O)N2c3ccc(Br)cc3[C@@H]3CCCC[C@@H]32)c[nH]1 586871553 FTLFRXBMSAPGRZ-HOCLYGCPSA-N 370.250 4.335 30 40 FIEB C[C@@H]1CCc2c(sc(NC(=O)c3cc4ccccc4oc3=O)c2C#N)C1 1959775 DTCXPSAQXNEDBV-LLVKDONJSA-N 364.426 4.103 30 40 FIEB Cc1cc(-c2csc(CC#N)n2)c(C)n1Cc1ccc2c(c1)OCO2 3346062 ORYKDXQGVGMBPP-UHFFFAOYSA-N 351.431 4.072 30 40 FIEB Cc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2C#N)cc1 12976971 SHDVQXRVJFRTMU-UHFFFAOYSA-N 362.454 4.262 30 40 FIEB C=CCn1cc(C)s/c1=N\c1ccc(-c2nnc3n2CCCCC3)cc1 28114099 AXCKXZANGVHJNS-MRCUWXFGSA-N 365.506 4.261 30 40 FIEB C#CCCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccncc2)cc1 57991448 FPJJQNOOVROZGW-JOCHJYFZSA-N 369.424 4.255 30 40 FIEB Oc1ccccc1/C=N\CC1CCC(C/N=C/c2ccccc2O)CC1 104128049 IQUQYVNGKZBPPJ-REPVBDINSA-N 350.462 4.442 30 40 FIEB C/N=C1/S/C(=C/c2ccccc2OCc2ccc(Cl)cc2)C(=O)N1C 408929653 MBAFZAUGZFPTEB-WZOFUNJYSA-N 372.877 4.451 30 40 FIEB Cc1cc(C#C[Si](C)(C)C(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2362797581 KWZFAHVKKYCJJL-UHFFFAOYSA-N 357.379 4.088 30 40 FIEB N#Cc1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc2c1CCCCC2 994505 GOOIMBCRXBISEH-MDZDMXLPSA-N 367.430 4.449 30 40 FIEB O=[N+]([O-])c1ccccc1/C=C\C=N\n1c(-c2ccccc2)n[nH]c1=S 6230952 GTLZQVGIRQXKBP-VDUTWIJRSA-N 351.391 4.063 30 40 FIEB Oc1c(Br)cc(Br)cc1/C=N/Nc1ccccc1 6240636 FKBPFCZKQVICQL-LZYBPNLTSA-N 370.044 4.363 30 40 FIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCc4ccc(OC)cc4)[C@H]3C[C@@H]12 12661437 ITHDPGAXOGNXMB-DLBZZEGUSA-N 369.505 4.099 30 40 FIEB biogenic COc1ccc(C(=O)/C=C/Nc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 15684491 CICDFLWJXQNRLD-BQYQJAHWSA-N 362.769 4.074 30 40 FIEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccsc1)c1c(O)n[nH]c1N2 18197256 CICVUTPLLUWNMK-HZMBPMFUSA-N 369.471 4.197 30 40 FIEB C=CCOc1cccc(NC(=O)C2CCN(Cc3ccccc3)CC2)c1 39766776 PTMPETDEJHKDAL-UHFFFAOYSA-N 350.462 4.102 30 40 FIEB C=C(C)COc1cccc(C(=O)Nc2ccc(C(=O)OCC)cc2C)c1 219787976 PVTAXJKSCCEPOJ-UHFFFAOYSA-N 353.418 4.379 30 40 FIEB N#C[C@@H]1[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242648396 QWNZNSFWGKGFRE-OAGGEKHMSA-N 352.242 4.073 30 40 FIEB COC(=O)c1cccc(/N=C/c2cccn2-c2ccc(N(C)C)cc2)c1C 408961686 UOZLLYQTOSRASY-HZHRSRAPSA-N 361.445 4.389 30 40 FIEB O=C(Nc1cc(C(F)(F)F)ccc1OCC(F)(F)F)C(F)(F)F 1891300 SZJKJWVUVOOCKL-UHFFFAOYSA-N 355.156 4.147 30 40 FIEB CCOc1cc(/C=C2/C(=O)ON=C2C)ccc1OCc1ccccc1F 4320999 KSVYPWJPODFWFB-MHWRWJLKSA-N 355.365 4.120 30 40 FIEB Cn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc(C#N)cc1 7236303 VEZUVOOYAHIPBG-UHFFFAOYSA-N 370.865 4.211 30 40 FIEB C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)Cc1ccsc1 8324490 QKSVEOMAQVIEDZ-ZDUSSCGKSA-N 373.547 4.409 30 40 FIEB CC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1Br)C2=O 8990630 RUUSKUZWICBVCF-IUXPMGMMSA-N 373.202 4.033 30 40 FIEB biogenic Cc1noc2c1[C@H](c1cccc(Br)c1)C1=C(CCCC1=O)N2 13724625 FDFDKTQIFONXDF-HNNXBMFYSA-N 359.223 4.310 30 40 FIEB O=C(COc1cc(Cl)c(Cl)cc1Cl)NCC#Cc1ccccc1 14197462 LZFKXRLTFOZZAH-UHFFFAOYSA-N 368.647 4.194 30 40 FIEB Cc1ccc(/C=C/C(=O)c2cc(Br)ccc(=O)c2O)c(C)c1 19909834 OSLAXSMSYSMHLM-FNORWQNLSA-N 359.219 4.028 30 40 FIEB COc1cc(/C=C/C(=O)c2ccccc2-n2cccn2)cc(Cl)c1O 60085845 WLQQRFVTVRDNIH-BQYQJAHWSA-N 354.793 4.136 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(F)c2)C[C@@H]1c1ccc(OC)cc1 97104941 WPKXKKMHTUJEPI-CTNGQTDRSA-N 368.404 4.154 30 40 FIEB O=[N+]([O-])c1ccc(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)cc1 149008760 DKZLZGFAQZQXJN-UHFFFAOYSA-N 353.165 4.145 30 40 FIEB N#C[C@@H]1[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 225666260 QWNZNSFWGKGFRE-BZUAXINKSA-N 352.242 4.073 30 40 FIEB C=CCOC(=O)c1cc(Cl)c(-c2cc3ccccc3oc2=O)cc1OC 226357402 VMLSUPVTYWDALC-UHFFFAOYSA-N 370.788 4.465 30 40 FIEB Cc1cc(N2CCCC2)c(F)cc1/C=N/OCc1cccc([N+](=O)[O-])c1 408593715 RBOQRHOZFFGSGE-CIAFOILYSA-N 357.385 4.193 30 40 FIEB O=C(O)c1ccc(/N=C/c2cc(Br)c(N3CCCC3)o2)cc1 408844482 JMVHJPLPSRABDH-VCHYOVAHSA-N 363.211 4.091 30 40 FIEB COc1cc(OC)c(/C=N/c2ccc(C)cc2O)cc1Br 1233779 DILIHUCVFIAPAD-GIJQJNRQSA-N 350.212 4.231 30 40 FIEB C(=N/N=c1/[nH]c2ccccc2s1)\c1cccn1CCOc1ccccc1 2591035 FOVGWFNVVHGIEI-RCCKNPSSSA-N 362.458 4.045 30 40 FIEB CC1=NN(c2ccccc2)C(=O)[C@H]1[C@@H](c1cccc(Cl)c1)C(C#N)C#N 4535391 JWGRSBYMWCYBHG-MOPGFXCFSA-N 362.820 4.126 30 40 FIEB C=CCOc1ccc(/C=C2\S/C(=N/c3ccccc3C)NC2=O)cc1 5551289 QRNMZHLNINBYNG-AQTBWJFISA-N 350.443 4.451 30 40 FIEB CCO[C@@H]1Oc2ccc(Cl)cc2C(=O)/C1=C/Nc1cccc([N+](=O)[O-])c1 16687957 WSDFLYSMGZZXOL-QWSHFYNQSA-N 374.780 4.182 30 40 FIEB Cc1ccc(-c2c(C#N)c(N)nc(Sc3ccccc3N)c2C#N)cc1 20368380 WKNGKISTSCJIGF-UHFFFAOYSA-N 357.442 4.116 30 40 FIEB CCOc1ccc2cc(C#N)c(SCC(=O)Nc3ccccc3)nc2c1 35311894 OTPCGLPSCZJIDJ-UHFFFAOYSA-N 363.442 4.236 30 40 FIEB Cc1ccc(/C=N/N=C2\SCC(=O)N2Cc2ccccc2C)c(C)c1 51366775 ASAHFAYNLAXDSM-GRWXYWTESA-N 351.475 4.077 30 40 FIEB CC(C)(C)c1nc(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cs1 75298193 KKGSVZGBHZCKEX-WBVHZDCISA-N 353.491 4.353 30 40 FIEB C=CCOc1ccc(NC(=S)NCCCN2CCCC[C@H]2CC)cc1 260732876 CHXQEMYRVLHPHY-GOSISDBHSA-N 361.555 4.192 30 40 FIEB O=C(/C=C(\Nc1cccc(Br)c1)c1cccnc1)C(F)(F)F 408751538 VDWFTLUGBDZJNH-JYRVWZFOSA-N 371.156 4.429 30 40 FIEB O=C(COc1ccc(/C=N\c2ccccc2Cl)cc1)NCc1ccco1 408804371 FANPUBULKRWSMT-UUYOSTAYSA-N 368.820 4.379 30 40 FIEB O=C1/C(=C/c2cccc(Cl)c2)Oc2c1ccc(O)c2CN1CCCC1 2214745 JZGNNSIRCJPPAF-WQRHYEAKSA-N 355.821 4.258 30 40 FIEB Cc1ccc(-c2nc(SCC(=O)C(F)(F)F)c(C#N)cc2C)cc1 3087978 ALPOJGQSBDPDHF-UHFFFAOYSA-N 350.365 4.461 30 40 FIEB Cc1ccc(-c2nc3n(n2)[C@@H](c2cccs2)C2=C(CCCC2=O)N3)cc1 4279830 VNOFHZXTCLMOAX-SFHVURJKSA-N 362.458 4.337 30 40 FIEB CCN1CCN(c2ccc(/N=C/c3ccc(Br)cc3)cc2)CC1 5006155 JPXKNQOZZCLFNF-RCCKNPSSSA-N 372.310 4.342 30 40 FIEB Cc1cc(C)c(C#N)c(S[C@H](C)C(=O)N[C@@H]2CCCc3ccccc32)n1 5642983 KLLKFJWCALEYEY-DNVCBOLYSA-N 365.502 4.245 30 40 FIEB O=C(/C=C/c1cccc(C(F)(F)F)c1)c1ccc(N2CCOCC2)cc1 5693046 FDZSVEDKWBIMML-RUDMXATFSA-N 361.363 4.438 30 40 FIEB C#C[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4CC5(CC[C@]4(C)[C@H]3CC[C@@]21C)OCCO5 13399393 JMZAXRXHLIIAGA-YSNDBMGOSA-N 358.522 4.137 30 40 FIEB C/C(CC[C@H]1CC(C)(C)OC1=O)=N/N=c1/[nH]c(-c2ccccc2)cs1 26533257 PKAFYLKDFCQTSX-MNAFEPAFSA-N 357.479 4.142 30 40 FIEB O=C1CCc2cc(C(=O)/C=C/c3csc(Br)c3)ccc2N1 59270407 LNPDQQQRULZPTC-ORCRQEGFSA-N 362.248 4.291 30 40 FIEB Cc1nnc(S[C@@H](C(=O)Nc2ccc(C#N)cc2)c2ccccc2)s1 59842443 VNXFPTJMSNEWDB-MRXNPFEDSA-N 366.471 4.190 30 40 FIEB CC/N=C1\S/C(=C\c2cc(C)n(-c3ccccc3)c2C)C(=O)N1CC 73141285 PDHIOWPNBFJBOP-PQDITWEDSA-N 353.491 4.406 30 40 FIEB C#CCOC(=O)c1ccc2oc(-c3cccc(Br)c3)nc2c1 73634059 BIQAYSHKCWVCHF-UHFFFAOYSA-N 356.175 4.047 30 40 FIEB C[C@H](Sc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccccc1C#N 96010328 KUNVEBCZHXRTIN-JTQLQIEISA-N 361.810 4.239 30 40 FIEB Cc1cccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@@H]2c2ccccc2)n1 104201768 CNACPUVRAKWGMB-NHFXJNLRSA-N 370.408 4.016 30 40 FIEB O=[N+]([O-])c1cccnc1N/N=C/c1ccc(OCc2ccccc2F)cc1 409103400 WKMRWUWJHCSHST-WSDLNYQXSA-N 366.352 4.154 30 40 FIEB N#Cc1cc(Oc2ccc(F)cc2)c(-n2nnc3ccccc32)cc1C#N 718873 SRTPKAXIUGZUQC-UHFFFAOYSA-N 355.332 4.095 30 40 FIEB COc1ccc(N/C=C/C(=O)c2ccc(Br)cc2)c(OC)c1 3084060 VQJUPFXLAWLQES-MDZDMXLPSA-N 362.223 4.275 30 40 FIEB C=CCc1cccc2c1O[C@@H]1CCCC(=O)[C@@H]1[C@@H]2C1=C(O)CCCC1=O 5290777 VCRRYSIVQDRCIM-DYXWJJEUSA-N 352.430 4.194 30 40 FIEB C=CCc1ccc(OCCn2c([C@@H](O)CC)nc3ccccc32)c(OC)c1 6745860 QAYBULBFUYICGL-IBGZPJMESA-N 366.461 4.296 30 40 FIEB FC(F)(F)c1cccc(N2CCN(/C(S)=N/C3CCCCC3)CC2)c1 8692054 CXYWYPGHWJZAQV-UHFFFAOYSA-N 371.472 4.446 30 40 FIEB C=CCOc1cccc(-c2nn3c(-c4cccc(OC)c4)nnc3s2)c1 10311668 JHRGZJBCIGUYME-UHFFFAOYSA-N 364.430 4.093 30 40 FIEB Cc1ccc(C2=NOC(=O)/C2=C\c2ccc(C(C)C)cc2)cc1[N+](=O)[O-] 12462443 LKLOXDQJBZGKCV-YVLHZVERSA-N 350.374 4.371 30 40 FIEB N#Cc1ccc(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)cc1 12972582 CGGNMTDHYMPLFR-UHFFFAOYSA-N 374.297 4.154 30 40 FIEB Cc1ccc(/C=C2\Oc3cc(OCC(=O)c4ccccc4)ccc3C2=O)o1 13777088 LNTIINSEZNWCAO-MTJSOVHGSA-N 360.365 4.466 30 40 FIEB Oc1ccccc1/C(=N\Nc1ccccc1)c1cnn(-c2ccccc2)c1 14360424 RQZZULLFKBRHPR-LVWGJNHUSA-N 354.413 4.442 30 40 FIEB C=CCN1C(=O)/C(=C\c2ccc(OC)cc2)S/C1=N/c1ccccc1 15685002 CWFPVUQTQRHKSR-SXFBWKAHSA-N 350.443 4.485 30 40 FIEB CCOC(=O)/C(=N/Nc1cccc(C(F)(F)F)c1)N(C)C1CCCCC1 5592019 FRHAEWHFSFGAMS-KQWNVCNZSA-N 371.403 4.258 30 40 FIEB Cc1nc(SCC(=O)N2CCC[C@@H]2c2cccs2)c(C#N)c(C)c1C 8133338 MBCYLNRHCKJAPJ-MRXNPFEDSA-N 371.531 4.396 30 40 FIEB O=C1/C(=C/c2ccccc2)Oc2c1ccc1c2CN(Cc2ccccn2)CO1 9423749 LRJJYGKZBCUKDN-MTJSOVHGSA-N 370.408 4.050 30 40 FIEB CCCCc1ccc(NC(=O)C[n+]2cc(-c3ccccc3)n3c2CCC3)cc1 13759285 AZMGFIOZRPKFSS-UHFFFAOYSA-O 374.508 4.370 30 40 FIEB N#C[C@@H]1C(=O)NC(=N)[C@@H](c2nc(-c3ccccc3)cs2)C12CCCCC2 23157196 BIPQNHCVEWTGLL-ZBFHGGJFSA-N 364.474 4.091 30 40 FIEB N#Cc1ccc(OCC(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)cc1 40156217 WVIBPXOEWGGQNX-UHFFFAOYSA-N 369.852 4.219 30 40 FIEB CCOc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(Cl)c1OC 113858392 GRKDEQKITWHUCC-ZROIWOOFSA-N 357.793 4.092 30 40 FIEB C=CCSc1ccccc1C(=O)N[C@H](C)COc1ccc(OC)cc1 219811949 YBLPVMFYVPMZIS-OAHLLOKOSA-N 357.475 4.171 30 40 FIEB N#CC1(c2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)CC1 222991854 CNWXUWSCTAOXKI-UHFFFAOYSA-N 367.257 4.349 30 40 FIEB C[C@@H]1CCc2sc(NC(=O)[C@@H]3CCC(=O)c4cccn43)c(C#N)c2[C@@H]1C 333915803 ZHSANKJETJMIRM-JMSVASOKSA-N 367.474 4.263 30 40 FIEB CCOc1cc(C)c(/C=N/N2C(=O)c3ccccc3C2=O)cc1C(C)C 408857045 MOILIGJZANVZDW-WSDLNYQXSA-N 350.418 4.147 30 40 FIEB C=CCN1C(=O)/C(=C/c2ccc(OC(C)C)c(OCC)c2)SC1=S 409329820 GZHHYGIUEWHJJG-WJDWOHSUSA-N 363.504 4.260 30 40 FIEB CC1(C)CC(=O)C([C@@H](c2ccc(Cl)cc2)[C@H](C#N)C(N)=S)=C(O)C1 1087481 RGLKMAXBVHBMOU-WFASDCNBSA-N 362.882 4.051 30 40 FIEB CCOC(=O)[C@@](O)(c1ccc(/N=C/c2ccccc2)c(C)c1)C(F)(F)F 2050597 RJKYDMFXSUINFQ-KCDOPAPYSA-N 365.351 4.059 30 40 FIEB CC[C@@H]1S/C(=N/N=C/c2ccc(C)cc2)N(Cc2ccc(F)cc2)C1=O 4950812 ACPSFEZTRFDYIT-JOHJSAGNSA-N 369.465 4.378 30 40 FIEB C[C@@H]1CCc2c(sc(NC(=O)c3ccc4nsnc4c3)c2C#N)C1 6668943 IGRDJOKAWDVHSO-SECBINFHSA-N 354.460 4.002 30 40 FIEB CC(C)[C@@H]1Cc2c(C#N)c(N)n(-c3ccc(Cl)cc3)c(=S)c2CO1 6673738 WGALDBVVMRQBFV-INIZCTEOSA-N 359.882 4.411 30 40 FIEB O=[N+]([O-])c1ccc(/C=N/NCc2ccccc2Cl)c(Br)c1 8811708 RGAWDBCWYJITTQ-CAOOACKPSA-N 368.618 4.134 30 40 FIEB CC1=NOC(=O)/C1=C\c1ccc(OCc2ccc(Br)cc2)cc1 12413093 ZNIITYRNZFDPMC-YVLHZVERSA-N 372.218 4.344 30 40 FIEB CCOc1cc(C=O)cc(Br)c1OCc1ccc(C#N)cc1 15423252 SCENTBAFDMVPKH-UHFFFAOYSA-N 360.207 4.111 30 40 FIEB C[C@H](Oc1ccc(C(=O)/C=C/c2ccccc2OC(F)F)cc1)C(=O)O 16390643 SQPFRYCKQNXFEA-OBIHZWKSSA-N 362.328 4.036 30 40 FIEB Cn1nccc1C(=O)/C=C/c1ccc(COc2ccc(F)cc2Cl)o1 33523478 KWINEORYTPQINJ-AATRIKPKSA-N 360.772 4.281 30 40 FIEB Cc1cccc(COc2ccc(/C=N\Nc3ccc([N+](=O)[O-])cn3)cc2)c1 36145108 HKHWEMOUONCFGN-UUYOSTAYSA-N 362.389 4.323 30 40 FIEB CCCCCCCCCCCCNC(=O)C(=O)NCCc1ccccc1 409260144 LLPORPCWCVLJCQ-UHFFFAOYSA-N 360.542 4.382 30 40 FIEB O=C1C(SC(F)(F)C(F)F)=C(C(F)(F)F)O[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]12 4079648 JXTBELKWIIAVQB-SKHQTKALSA-N 362.266 4.141 30 40 FIEB C#CCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1=O 4662560 UREKNKYCOJQMTL-BOPFTXTBSA-N 370.861 4.417 30 40 FIEB N#CCn1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c2ccccc21 5556841 BLGORBBWQYIQAH-PDGQHHTCSA-N 359.410 4.406 30 40 FIEB Cc1sc2ncnc(S[C@@H](C)C(=O)NC3(C#N)CCCCC3)c2c1C 6113396 RFQCGESLMIGMNA-ZDUSSCGKSA-N 374.535 4.131 30 40 FIEB C[C@H](OC(=O)c1c(Cl)cccc1Cl)C(=O)Nc1cccc(C#N)c1 7108743 PKFNBNOHGBUUKM-JTQLQIEISA-N 363.200 4.049 30 40 FIEB C/C(=N\Nc1ncc(C(F)(F)F)cc1Cl)c1ccc2c(c1)OCO2 12562713 RNDPBBJKMRQCIZ-ODCIPOBUSA-N 357.719 4.319 30 40 FIEB CSc1ccc(/C=N\N2CCN(Cc3ccccc3Cl)CC2)cc1 19790553 VSPYOMHNIGPCBZ-STZFKDTASA-N 359.926 4.214 30 40 FIEB CSc1nc2n(n1)[C@@H](c1ccc(C(C)C)cc1)C1=C(C[C@@H](C)CC1=O)N2 22608307 MGRYTLQSOSLCKL-XIKOKIGWSA-N 368.506 4.391 30 40 FIEB N#Cc1ccc(C(=O)Nc2cnn(Cc3cccc(C(F)(F)F)c3)c2)cc1 32610053 WJPBXEIXJLOKFM-UHFFFAOYSA-N 370.334 4.074 30 40 FIEB COc1cc(/C(C)=N/Nc2nc3ccccc3n2C)ccc1OC(F)F 43990498 QTKDFKZDGYNCKV-SSDVNMTOSA-N 360.364 4.019 30 40 FIEB O=C(O)C(C(=O)/C=C/c1ccc(C(F)(F)F)cc1)=C1SCCS1 62716078 AWZHGJPTERMFAG-ZZXKWVIFSA-N 360.378 4.064 30 40 FIEB Cc1c(NCc2nn(-c3ccccc3)c3c2CCC3)cc(C#N)cc1[N+](=O)[O-] 84028392 OAIYWOOVJJXTCS-UHFFFAOYSA-N 373.416 4.061 30 40 FIEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccccc1F 102860061 PROGQNQPLFBVCZ-SELCWUDQSA-N 353.393 4.048 30 40 FIEB C#C[C@]1(O)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](OC(C)=O)CC[C@@H]32)C1 118915184 VHAGTEAFULKJNP-FTQGCKHGSA-N 358.522 4.325 30 40 FIEB C=CCOC(=O)c1ccc2[nH]c(-c3cccc(Br)c3)nc2c1 226235734 ILPUHYLWTGBHQW-UHFFFAOYSA-N 357.207 4.335 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(F)cc2)C[C@H]1c1ccccc1C 4918514 SSMJQMMCCGUIIP-PZJWPPBQSA-N 352.405 4.453 30 40 FIEB O=C(CO/N=C/c1ccc(Cl)c(Cl)c1)NCCC1=CCCCC1 5938458 QTBSWLIXHOJOME-SRZZPIQSSA-N 355.265 4.351 30 40 FIEB N#CCSc1nc(O)c(-c2nc(-c3ccccc3)cs2)cc1C#N 7738459 ZZQMFLDSEFVQEA-UHFFFAOYSA-N 350.428 4.065 30 40 FIEB Cc1ccc(C(=O)/C=C/c2ccc(-n3ccnc3)c(F)c2)cc1[N+](=O)[O-] 12758273 FEUKSICRNDIATO-QPJJXVBHSA-N 351.337 4.124 30 40 FIEB O=C(/C=C/c1c(F)c(F)c(F)c(F)c1F)c1ccc(-n2cccn2)cc1 12791096 DHWLROPUEYOXLE-VOTSOKGWSA-N 364.273 4.464 30 40 FIEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3ccoc3C)c2)c1 12822607 RSTGEHSAXAXSGI-UHFFFAOYSA-N 359.381 4.027 30 40 FIEB CC(C)(C)c1ccc(/C=N\N=C2/NC(=O)[C@@H](c3ccccc3)S2)cc1 13547948 IPNOTBKLIUYSCI-OJSPLJLUSA-N 351.475 4.278 30 40 FIEB C=CCn1cnnc1SCC(=O)Nc1c(C(C)C)cccc1C(C)C 14094321 QMPQKKBCORTRQR-UHFFFAOYSA-N 358.511 4.442 30 40 FIEB CCn1c(SCC#Cc2ccc(Cl)cc2)nnc1-c1ccncc1 75094304 VXXOQTOGZNGDAE-UHFFFAOYSA-N 354.866 4.157 30 40 FIEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C/N1CCCC1)C2=O 118913837 BLPWZFDTYUVONX-BXEOAJGKSA-N 369.549 4.469 30 40 FIEB N#Cc1cc(N)c(Cc2ccccc2)n1CCOc1ccc(Cl)cc1 225862936 AVQFDAZXLOYNQN-UHFFFAOYSA-N 351.837 4.265 30 40 FIEB CC[C@H]1CCc2c(sc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)c2C#N)C1 674350 RFWBGAFTHAWLDS-LBPRGKRZSA-N 369.446 4.224 30 40 FIEB CCOC(=O)c1c(C)nc2c(c1-c1ccccc1)/C(=N/O)CC(C)(C)C2 4356654 VKTCYUMDWRKJKF-XQNSMLJCSA-N 352.434 4.384 30 40 FIEB O=C1CCCC2=C1[C@H](c1cccc(Oc3ccccc3)c1)c1c(O)n[nH]c1N2 12347368 HDKQVSBDSQVZCD-SFHVURJKSA-N 373.412 4.472 30 40 FIEB CN1C=C(C(=O)/C=C/c2ccc(F)cc2)[C@H](c2ccc(Cl)cc2)NC1=O 12389602 MIKWRFPMQZNIBN-RRPUDGLYSA-N 370.811 4.342 30 40 FIEB C=CCn1c(SCc2ccc(F)cc2)nc2c([nH]c3ccccc32)c1=O 16890319 UIHKDRLSIWPIFE-UHFFFAOYSA-N 365.433 4.495 30 40 FIEB CCCn1cc(/C=N/NCc2ccc(OC)c(OC)c2)c2ccccc21 20196613 VBXGENVAQJFDKI-OEAKJJBVSA-N 351.450 4.192 30 40 FIEB O=C1[C@H]2C3=C(CCCC3)S[C@H]2N=C(SC[C@@H]2CO2)N1c1ccccc1 25666903 GAQNJNHVLDQEGY-RRQGHBQHSA-N 372.515 4.038 30 40 FIEB Sc1nnc(-c2ccc(Cl)cc2)n1/N=C\c1c[nH]c2ccccc12 28352080 SSIDVJHCUGWXRD-JMIUGGIZSA-N 353.838 4.251 30 40 FIEB C=CCN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)S/C1=N\c1ccccc1 59426416 IZWTWGFQYQIPKZ-YWKYIXQJSA-N 365.414 4.385 30 40 FIEB C=CCSc1nnc(NC(=O)[C@@H](CC)Oc2ccc(CC)cc2)s1 224196472 YMCLVUDGBUIXAN-CQSZACIVSA-N 363.508 4.175 30 40 FIEB CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@H]4[C@H]3CC[C@@]21C 253618048 MTSLFKWJINJVBO-VXAPCQRLSA-N 358.478 4.019 30 40 FIEB CC1(C)CCC(=O)C2=C1OC1=C(C(=O)CCC1(C)C)C2c1ccccn1 1768366 KVDIZBKOURFLCR-UHFFFAOYSA-N 351.446 4.482 30 40 FIEB O=C1/C(=C/c2ccc(F)cc2)Oc2c1ccc(O)c2CN1CCCCC1 4339582 RKYMSWYPIJFOBE-UNOMPAQXSA-N 353.393 4.133 30 40 FIEB biogenic CCC[C@@H]1S/C(=N/N=C/c2cccs2)N(Cc2ccccc2)C1=O 4898893 OQAVORJZMXZSSV-WWAMGSKZSA-N 357.504 4.382 30 40 FIEB CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(OC)cc1 6187076 LICYRRWUBSCSKI-IBGZPJMESA-N 365.429 4.074 30 40 FIEB CCN(Cc1ccccc1)c1ccc(/C=N/N=C(/S)NC(C)C)cc1 8687466 NZBRDGAGPLPQPH-KGENOOAVSA-N 354.523 4.331 30 40 FIEB Cc1ccc(CN2CCN(/N=C\c3ccc(Cl)c(Cl)c3)CC2)cc1 19594610 PGKQAVXAGFHWQZ-XKZIYDEJSA-N 362.304 4.454 30 40 FIEB N#Cc1ccc(CN2CCC[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)cc1 26456399 NIWAXLMJOXYTAE-GOSISDBHSA-N 374.271 4.468 30 40 FIEB Cc1cc(/C(O)=N/C2(c3noc(C4CCCC4)n3)CCCCCC2)cnn1 329908179 UGJBKMSMAYJPCS-UHFFFAOYSA-N 369.469 4.380 30 40 FIEB O=[N+]([O-])c1cccc(CO/N=C/c2ccc(N3CCCCC3)cc2F)c1 408589554 DSUDQOPBIWCYJL-FYJGNVAPSA-N 357.385 4.275 30 40 FIEB CCOC(=O)c1cccc(/N=C\c2cccn2-c2ccc(C(=O)O)cc2)c1 409225786 LASOWRRWYAGPHS-HMAPJEAMSA-N 362.385 4.103 30 40 FIEB COc1ccc2nc(SCc3nnc(-c4ccccc4)o3)c(C#N)cc2c1 862118 WXSHQRSJEZHPJA-UHFFFAOYSA-N 374.425 4.457 30 40 FIEB CCOc1ccc2nc(SCC(=O)Nc3ccccc3C#N)sc2c1 1517307 QWDTXRWUILAWPS-UHFFFAOYSA-N 369.471 4.297 30 40 FIEB C(=N/N1CCN(/N=C/c2ccccc2)C1c1ccccc1)\c1ccccc1 1755203 YQHOSSJYRQMLRP-SIHVKLMXSA-N 354.457 4.371 30 40 FIEB COc1cccc(/N=C2\C(=O)c3ccccc3C(O)=C2N2CCCCC2)c1 4138281 FYBUUUYYZWHJQD-NMWGTECJSA-N 362.429 4.377 30 40 FIEB CCOc1ccccc1[C@@H]1C2=C(CCCC2=O)NC2=C1C(=O)c1ccccc12 4702772 FVSCKHNFIKDEFF-HXUWFJFHSA-N 371.436 4.387 30 40 FIEB O=C1C[C@@H](c2ccc(F)cc2F)C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)N1 6820307 WKVWTEXFFVVCRM-WBMJQRKESA-N 371.358 4.108 30 40 FIEB C=CCn1c(C)cc(C(=O)CSc2nnc(C3CC3)n2C2CC2)c1C 7903137 MWXCVUHSCXFCJA-UHFFFAOYSA-N 356.495 4.070 30 40 FIEB CC(=O)[C@@H]1[C@@H](c2cccc(Cl)c2)C(C#N)(C#N)[C@H]2c3ccccc3C=CN12 16034218 BOSYLVLSCRTKPW-NJDAHSKKSA-N 373.843 4.456 30 40 FIEB CCn1ccnc1SCC(=O)Nc1ccccc1S[C@H](C)CC#N 95953389 ICWKNWRHAGXNIN-CYBMUJFWSA-N 360.508 4.028 30 40 FIEB C=CCSc1nc2n(n1)[C@@H](c1ccc(F)cc1)C1=C(O)CCCC1=N2 101324172 YPPRWMBYFGMSST-INIZCTEOSA-N 356.426 4.367 30 40 FIEB COc1ccc(/N=C/c2c(O)c3ccccc3n(-c3ccccc3)c2=O)cc1 226762166 RCPGHNCZKZGCCX-BUVRLJJBSA-N 370.408 4.456 30 40 FIEB CC[C@H](C)[C@H](/N=C(/O)N1CCCC[C@H]1c1nccn1CC)C(F)(F)F 331190171 KXLNQMDRYYMPKP-IHRRRGAJSA-N 360.424 4.321 30 40 FIEB COc1cc(/C=C2\Sc3ccccc3C2=O)ccc1OC[C@H](C)C(=O)O 408842311 KECUCCFXSNCIFT-XACIZNRCSA-N 370.426 4.124 30 40 FIEB CCOc1ccc(/C=N\c2ccccc2O)cc1I 408904108 DWLDKHDTNQEFNY-YVLHZVERSA-N 367.186 4.146 30 40 FIEB Cc1ccc2nc(SCC(=O)Nc3ccccc3F)c(C#N)cc2c1 1222311 NALFKYAIORXKCW-UHFFFAOYSA-N 351.406 4.285 30 40 FIEB CCCC[C@@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1cccc([N+](=O)[O-])c1 4626441 PVOUQHSYYODXDA-KDOFPFPSSA-N 374.437 4.096 30 40 FIEB CCN1C(=O)/C(=C\c2ccccc2)S/C1=N\c1ccc(C(=O)O)cc1 4682164 BRXYFLCMENZGEC-DSJJYHEDSA-N 352.415 4.009 30 40 FIEB O=[N+]([O-])c1ccc(N/N=C/c2cccc(Cl)c2Cl)c([N+](=O)[O-])c1 5567446 NOIIVJNPQWYWHB-FRKPEAEDSA-N 355.137 4.256 30 40 FIEB COC(=O)c1ccccc1/N=C/c1ccc(-c2ccccc2C(=O)OC)o1 6579696 IMALTWRJAGHGLX-LPYMAVHISA-N 363.369 4.270 30 40 FIEB COc1cc2c(cc1OC)[C@@H](c1ccccc1OC)C1=C(CCCC1=O)N2 18197180 FBUAFYMQSNAHGH-OAQYLSRUSA-N 365.429 4.277 30 40 FIEB CCCCOC(=O)c1ccc(N/C=C/C(=O)c2ccc3c(c2)OCO3)cc1 44842559 VOPPODPYJCTKDI-ZHACJKMWSA-N 367.401 4.181 30 40 FIEB CC(C)(C)c1nc(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cs1 75298192 KKGSVZGBHZCKEX-NVXWUHKLSA-N 353.491 4.353 30 40 FIEB CC1=Nc2c(c(=O)[nH]n2C2CCCCC2)[C@@H](c2ccc(C#N)cc2)S1 85412098 MEHNHDMSUZTOTC-QGZVFWFLSA-N 352.463 4.439 30 40 FIEB C=CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)cc1 223666465 XRUFYPQIKNAHCO-UHFFFAOYSA-N 373.474 4.156 30 40 FIEB Cc1ccc(/N=C\c2ccc(O[C@H](C)C(=O)O)cc2)c(Br)c1 408851576 LHZYTURELUQABI-FGHSJCFPSA-N 362.223 4.360 30 40 FIEB CCn1c(C)cc(/C=N\Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C 409070042 MSKPPHUKDDDIPF-UKWGHVSLSA-N 354.332 4.498 30 40 FIEB COc1cc(/C=C2/S/C(=N\c3ccccc3C)NC2=O)cc(Cl)c1O 4647033 IOOLPOIASMERND-OQLLNIDSSA-N 374.849 4.254 30 40 FIEB CCOc1ccccc1[C@H](O)[C@H](C#N)Sc1nc2ccccc2s1 4943975 WVMUWPXNOOIZBT-IRXDYDNUSA-N 356.472 4.413 30 40 FIEB CCO[C@@H]1Oc2ccc(C)cc2C(=O)/C1=C/Nc1ccc(C(C)=O)cc1 6387496 WJWXFZWSKCLTRI-SARUNTBLSA-N 351.402 4.131 30 40 FIEB CCCCN(C)Cc1c(O)ccc2c1O/C(=C\c1ccc(OC)cc1)C2=O 20518900 PHLDXMGMIUOAAQ-MOSHPQCFSA-N 367.445 4.249 30 40 FIEB C/C(=N\Nc1c(F)c(F)nc(F)c1F)c1ccc(Cl)c([N+](=O)[O-])c1 20934444 LVWKDGHGIDYRKH-DENHBWNVSA-N 362.670 4.036 30 40 FIEB C=CCSc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 23299898 IFPJSZIXKJUGBJ-CQSZACIVSA-N 370.449 4.095 30 40 FIEB C=CCSc1ccccc1NC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1 36392979 FLXSVEPOZWTYKW-KRWDZBQOSA-N 356.422 4.236 30 40 FIEB N#Cc1cccnc1NCC1(c2ccc(Cl)cc2Cl)CCOCC1 57148758 MQCXTBPJHUDMEU-UHFFFAOYSA-N 362.260 4.420 30 40 FIEB CN(C)/N=C/C=C1/CCC/C(=C/c2cc(Br)cs2)C1=O 89310328 IAKHKNLYQVQZOO-BRXVPCISSA-N 353.285 4.121 30 40 FIEB O=S(=O)(Oc1ccc(/N=C/c2cccs2)cc1)c1ccc(F)cc1 100413203 BFCWKJLIFBXCAR-XDHOZWIPSA-N 361.419 4.406 30 40 FIEB C=CCn1c(-c2cccc([N+](=O)[O-])c2)cs/c1=N/c1ccc(O)cc1 103450247 PVAPTDMGWHFMTQ-VHEBQXMUSA-N 353.403 4.249 30 40 FIEB C=CCOc1cccc(CN(C)S(=O)(=O)c2ccc3ccccc3c2)c1 223738598 DYFXIYRZWNJIJG-UHFFFAOYSA-N 367.470 4.225 30 40 FIEB C=CCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225019310 BLJAMQBUMKYFJE-UHFFFAOYSA-N 360.435 4.100 30 40 FIEB O/N=C1/CCC=CCCC=CCC[C@H]1N1CCN(Cc2ccccc2)CC1 1559628119 ZIAZVJXASDLHHH-FZUJAZCESA-N 367.537 4.470 30 40 FIEB N#Cc1ccc(Oc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 777997 MSRXAYXRRHOZMQ-UHFFFAOYSA-N 360.325 4.478 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(Nc2cccc(F)c2)C[C@H]1c1ccccc1 1079998 SYAGWLMWYQBCBM-ICSRJNTNSA-N 353.393 4.057 30 40 FIEB Cc1cc(-c2ccccc2)c(C#N)c(SCC(=O)Nc2nccs2)n1 1439975 FQCUYMHHUMARHL-UHFFFAOYSA-N 366.471 4.116 30 40 FIEB C=CCOc1cc2c(cc1[C@H](C)c1cc(OC)c(OC)c(OC)c1)OCO2 1582321 ZRFJRXAIGQNHAD-CYBMUJFWSA-N 372.417 4.158 30 40 FIEB COc1cccc(/C=C2\S/C(=N\c3ccc(C)cc3C)NC2=O)c1OC 2383803 CSCRKICYOKDTLI-BOPFTXTBSA-N 368.458 4.212 30 40 FIEB O=[N+]([O-])c1ccc(N/N=C/C=C2C3CC4CC(C3)CC2C4)c([N+](=O)[O-])c1 4114472 NOJIEJNZHQRWMO-VLGOTYMCSA-N 356.382 4.283 30 40 FIEB CC1(C)[C@H]2CC[C@]1(C)[C@@H](OCC[N+](C)(C)CC(=O)OC1CCCCC1)C2 4823942 KYWMVDGDOMBOTE-LQBOVUBWSA-N 366.566 4.170 30 40 FIEB O=S(=O)(NN=C1CCC(c2ccccc2)CC1)c1ccc(Cl)cc1 6338303 QCOAOIJSHIGQCM-UHFFFAOYSA-N 362.882 4.332 30 40 FIEB CC(C)=CCOc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)C2=O 8765425 LECZNJZKTIYGGY-JMIUGGIZSA-N 350.370 4.377 30 40 FIEB biogenic CC(C)/N=C(/S)N1CCN(C(c2ccccc2)c2ccccc2)CC1 23243183 PYTKEDUGZBYZCZ-UHFFFAOYSA-N 353.535 4.088 30 40 FIEB Cc1ccc([C@@H](NCC(=O)Nc2ccccc2C#N)c2ccccc2)cc1C 25049057 DZTZODNLMOQJDJ-DEOSSOPVSA-N 369.468 4.493 30 40 FIEB N#Cc1ccc(/N=C/c2cc(Br)c(Br)o2)cc1 59104626 RGOZBCQPEYLLGZ-FRKPEAEDSA-N 354.001 4.427 30 40 FIEB C[C@H](OC[C@H]1CCCCO1)C(=O)Nc1sc(-c2ccccc2)cc1C#N 69356535 CKMQCVPEPHKKOO-WMLDXEAASA-N 370.474 4.199 30 40 FIEB C=CCc1cc(C(=O)Nc2nnc(SCC(C)C)s2)ccc1OC 225703685 JYURSEPBLBTSNQ-UHFFFAOYSA-N 363.508 4.276 30 40 FIEB CCN(CC)c1ccc(/C=C2\SC(=Nc3cccc(C)c3)NC2=O)o1 408819754 RRWMPFUFJTYTHA-VBKFSLOCSA-N 355.463 4.326 30 40 FIEB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/c2ccc3c(c2)OCO3)o1 408907996 AEBUBPPARKOWKV-KEBDBYFISA-N 366.329 4.343 30 40 FIEB C=CCOc1ccc(-n2c(C)cc(/C=C3\SC(=S)NC3=O)c2C)cc1 408999075 RIEQKTIYLYTFJK-BOPFTXTBSA-N 370.499 4.148 30 40 FIEB C[C@@H]1S/C(=N\N=C\c2ccco2)N(Cc2cccc3ccccc23)C1=O 6129738 QDNYYBSBHHRRTN-PYUKZKILSA-N 363.442 4.287 30 40 FIEB N#CCCn1c(SCc2nc(-c3ccsc3)no2)nc2ccccc21 12541054 XNGHCPYMLOSSPI-UHFFFAOYSA-N 367.459 4.354 30 40 FIEB COc1ccc2cc(CN(C)C(=O)[C@@H](C)Oc3ccc(C#N)cc3)ccc2c1 12974563 LSSZSLRUTDRJPH-MRXNPFEDSA-N 374.440 4.146 30 40 FIEB COc1ccc(OC)c(NC(=O)c2oc3c(c2C)/C(=N/O)CC(C)(C)C3)c1 13556039 XGYRECIIYGSKLW-HYARGMPZSA-N 372.421 4.008 30 40 FIEB Cc1cccc(-n2c(SCC#N)nc3c(-c4ccccc4)c[nH]c3c2=O)c1 16841536 FXQPSIBQTNZCGP-UHFFFAOYSA-N 372.453 4.305 30 40 FIEB C=CCc1cc(/C=C2\S/C(=N\c3ccccc3)NC2=O)cc(OC)c1O 33458165 ATSUKRPQMRZMNQ-ATVHPVEESA-N 366.442 4.021 30 40 FIEB C=CCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1ccccc1Cl 101231726 NPVXVXZNGRNULI-SELCWUDQSA-N 367.832 4.256 30 40 FIEB C#CCOC(=O)/C=C/c1ccc(OC)c(OCc2ccc(F)cc2Cl)c1 216898885 JPZLYJMODXDCSN-WEVVVXLNSA-N 374.795 4.256 30 40 FIEB O=C(O)c1cccc(/N=C/c2cc(Br)c(Br)o2)c1 408856114 IJHOTMOPNVQBDT-GIDUJCDVSA-N 373.000 4.253 30 40 FIEB Fc1cc(/C=N\Nc2ccc(C(F)(F)F)cn2)ccc1N1CCCC1 409097230 HWHUOOSCGKRJLS-RMORIDSASA-N 352.335 4.286 30 40 FIEB N#Cc1ccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc1 409278939 HDTXZRYWFOBEJN-UHFFFAOYSA-N 356.429 4.198 30 40 FIEB C=CCOc1c(Cl)cc(/C=C2\SC(=S)N(C)C2=O)cc1OCC 409350704 YSXLTLIWOCSDRP-LCYFTJDESA-N 369.895 4.135 30 40 FIEB O=C(C[n+]1cc(Br)cc2ccccc21)c1ccc(Cl)cc1 1665260 CQEXTMCJYKFITE-UHFFFAOYSA-N 361.646 4.426 30 40 FIEB O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](/C=C/c1ccccc1)n1ncnc1N2 4435950 OBOPHFVPGNOROT-IVAPMYIESA-N 374.469 4.420 30 40 FIEB C=C(C)COc1c(Cl)cc([C@@H]2NC(=O)c3ccccc3O2)cc1OC 4997911 YSILPXUSJNBMJV-LJQANCHMSA-N 359.809 4.125 30 40 FIEB CCOc1ccc(-c2cs/c(=N/N=C/c3ccc(OC)cc3)[nH]2)cc1 5165403 DRQJHAIXRQXGLH-UDWIEESQSA-N 353.447 4.085 30 40 FIEB CCOC(=O)c1ccc(-c2ccc(/C=N/Nc3nc4ccccc4[nH]3)o2)cc1 6210417 CCUSRCYQLNFPSF-LPYMAVHISA-N 374.400 4.446 30 40 FIEB CCOc1cc(/C=C/C(=O)c2ccc(O)cc2)cc(Br)c1O 6613551 AKXVETRAYNEUCK-FPYGCLRLSA-N 363.207 4.155 30 40 FIEB C=CCNCc1cc(Br)ccc1OCc1ccc(F)cc1 6855848 BCFUTVMMKNUQHN-UHFFFAOYSA-N 350.231 4.443 30 40 FIEB N#Cc1ccc(COC(=O)c2ccccc2SC[C@H]2CCCO2)cc1 7627062 RUYLMEVSENURFQ-QGZVFWFLSA-N 353.443 4.186 30 40 FIEB C=C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)Nc1cccc2ccccc12 8254568 VMNILKTXWBZSRB-RYQLBKOJSA-N 351.519 4.023 30 40 FIEB biogenic,in-vitro C[C@H](C(=O)Nc1ccccc1C#N)N1CCC(CCc2ccccc2)CC1 11720398 AFMIGWQCHRHQOB-GOSISDBHSA-N 361.489 4.230 30 40 FIEB Cc1noc(C)c1CSc1ncccc1C(=O)Nc1cccc(C#N)c1 12931333 HQGCNFMHSSQJFS-UHFFFAOYSA-N 364.430 4.103 30 40 FIEB C=CCOc1c(Cl)cc(/C=N/NCc2ccccc2OC)cc1OCC 20763317 GUEPLSSHQJREKB-LPYMAVHISA-N 374.868 4.436 30 40 FIEB N#Cc1ccc(COC(=O)c2ccccc2SC[C@@H]2CCCO2)c(F)c1 32860315 VKVGSMTYHIKPLA-INIZCTEOSA-N 371.433 4.325 30 40 FIEB CCOC(=O)C1=C(C)N(C)C2=C(C(=O)c3ccccc32)[C@@H]1c1ccccc1 988621 YYWVTBYSLLUBIH-LJQANCHMSA-N 359.425 4.160 30 40 FIEB Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccccc2)cc1 1438438 QUVNTSWJKGSENO-LJQANCHMSA-N 359.381 4.371 30 40 FIEB C#CCOC(=O)[C@@H](C)Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1 6035971 ASALLPQQHGTWEF-LLVKDONJSA-N 366.200 4.124 30 40 FIEB in-vitro COc1cc(/C=N/Nc2cccc(C)c2)ccc1OC(=O)c1ccco1 6207123 SLQPOFGIUSLMPB-FYJGNVAPSA-N 350.374 4.262 30 40 FIEB Cc1cc(C)nc(N/N=C/c2cn(-c3ccccc3)nc2-c2cccs2)n1 6672246 AHJLJWWLNFYQJR-CIAFOILYSA-N 374.473 4.454 30 40 FIEB CC(=O)Nc1cccc(C(=O)/C=C/c2cc(Br)ccc2F)c1 7007713 USTUMTKFYGYIQY-VMPITWQZSA-N 362.198 4.443 30 40 FIEB COc1cccc(C(=O)CSc2nc(-c3ccco3)ccc2C#N)c1 12250983 VYGMMZPKLNEUSP-UHFFFAOYSA-N 350.399 4.197 30 40 FIEB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N(C)C1(C#N)CCCCC1 14197939 AVRDNYDCVCTITQ-GFCCVEGCSA-N 355.265 4.446 30 40 FIEB Cc1nn(C)c2c1C1=C(C(=O)CC(C)(C)C1)[C@H](c1ccc(N(C)C)cc1)N2 16266224 OIXUOSLSVHDORO-FQEVSTJZSA-N 364.493 4.104 30 40 FIEB N#Cc1cnn(C(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)s2)c1N 60470893 NPMJBZPIFAUEAZ-UHFFFAOYSA-N 363.229 4.061 30 40 FIEB Cc1nn(-c2ccccc2)c(O)c1[C@H](c1ccc(Cl)cc1)C(C#N)C#N 100698119 KNBMPINOJDUUSL-LJQANCHMSA-N 362.820 4.335 30 40 FIEB Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)Nc1ccc(C#N)c(F)c1 571091871 GQPZDHSYAVOFAM-QGZVFWFLSA-N 355.417 4.187 30 40 FIEB Cc1ccc(-n2c(CNc3cccc(Cl)c3)nnc2SCC#N)cc1 4125331 CNKRKFHXRHZCCO-UHFFFAOYSA-N 369.881 4.457 30 40 FIEB CC[C@@H](C)c1ccc(OCCOc2cccc(/C=N/n3cnnc3)c2)cc1 4616273 IVNVERPDXQRWOG-PTZPRWATSA-N 364.449 4.132 30 40 FIEB CC(=O)Nc1ccc(/C=C\C(=O)c2sc(-c3cccnc3)nc2C)cc1 5808943 VPCKWAHTVFAAAT-YFHOEESVSA-N 363.442 4.368 30 40 FIEB Cc1cc(/C=N/N2CCOCC2)c(C)n1-c1cccc(Cl)c1Cl 8084092 XXHUDFAYFRYFLF-RGVLZGJSSA-N 352.265 4.067 30 40 FIEB Fc1ccc(NC(=S)N/N=C/c2cccc(Br)c2)c(F)c1 8680895 QKFVJCKTJYUPAW-QGMBQPNBSA-N 370.222 4.048 30 40 FIEB COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2sccc2C#N)cc1 9385891 PXWGQGMWGKHNFZ-SFHVURJKSA-N 369.490 4.184 30 40 FIEB COC(=O)c1cc(CSc2nc(C(F)(F)F)cc(C)c2C#N)cs1 36612072 ZYKIAPHFYRDZTH-UHFFFAOYSA-N 372.393 4.421 30 40 FIEB Cc1ccc(S(=O)(=O)/N=C(\O)Cc2ccc(Cl)cc2Cl)cc1 40162367 ILUVLOJFBMFSRD-UHFFFAOYSA-N 358.246 4.190 30 40 FIEB O=C1N/C(=N/c2ccccc2)S/C1=C\c1ccc(N2CCCCC2)o1 59138024 HIYXPTYVIPXNRW-SSZFMOIBSA-N 353.447 4.162 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccsc2)C[C@H]1c1ccccc1OC 69374822 FYEOJSDUEKFCBA-QFBILLFUSA-N 356.443 4.076 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccsc2)C[C@H]1c1ccccc1OCC 69374966 UIHWCIJKKHZSSE-FXAWDEMLSA-N 370.470 4.466 30 40 FIEB Cc1ccc(-c2nc(C#N)c(NC[C@@H](c3ccsc3)N(C)C)o2)cc1 72238608 IZMNEDVCSWDJCH-KRWDZBQOSA-N 352.463 4.298 30 40 FIEB CCn1c(C)cc(/C=N\c2cccc(I)c2)c1C 409067144 NZCANNCJVIYLKS-YVLHZVERSA-N 352.219 4.480 30 40 FIEB CC(=O)C1=C(O)C(=O)N(c2ccc(O)cc2)[C@@H]1c1ccc(C(C)C)cc1 847058 UDWWUMLUYICTRG-LJQANCHMSA-N 351.402 4.005 30 40 FIEB CC(C)c1ccc(OCC(=O)Nc2cccc(C#N)c2)c(Br)c1 1148526 ZETOABCEGYEKJU-UHFFFAOYSA-N 373.250 4.462 30 40 FIEB C=CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(F)cc1 2227224 MEKRSMJVYFGZMO-UHFFFAOYSA-N 370.409 4.471 30 40 FIEB CCCCCCCCOC(=O)Cc1c(C)nc(-c2ccccc2)[nH]c1=O 2374642 CYTXMRFCJPRIAQ-UHFFFAOYSA-N 356.466 4.192 30 40 FIEB CCOC(=O)c1sc(NC(=O)CCCc2cccs2)c(C#N)c1C 3347436 GTAUXLOKCOSSGJ-UHFFFAOYSA-N 362.476 4.128 30 40 FIEB CCOc1ccccc1NC(=O)CSc1nc(C)c(C)c(C)c1C#N 5172606 PLBHCMJTOQHUAR-UHFFFAOYSA-N 355.463 4.008 30 40 FIEB Cc1ccc2[nH]c(SCC(=O)N(CCC#N)c3ccccc3F)nc2c1 6292132 XUJWAPLUONNKHQ-UHFFFAOYSA-N 368.437 4.049 30 40 FIEB N#Cc1ccc(OCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 6581272 ODAPMXBFHARJOE-UHFFFAOYSA-N 358.397 4.155 30 40 FIEB CCn1c(Cc2ccccc2)nnc1S[C@@H](C#N)Cc1ccc(C)cc1 6586790 ATJZVEMRNJMXBJ-LJQANCHMSA-N 362.502 4.424 30 40 FIEB COc1cc(/C=C/C(=O)c2nc3ccccc3s2)cc(OC)c1OC 7335840 BXLXFCMLZUMEMK-CMDGGOBGSA-N 355.415 4.218 30 40 FIEB CC(C)c1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]nc(O)c32)cc1 12347569 WEDOSOKPIVSJKO-MRXNPFEDSA-N 351.450 4.439 30 40 FIEB Cc1cc(O)c(CN2CCCCCC2)c2c1C(=O)/C(=C/c1cccnc1)O2 20588879 LZRDLLJGBFYVTG-UNOMPAQXSA-N 364.445 4.088 30 40 FIEB CCCOc1ccc(/C=N\OCC(=O)Nc2ccccc2C)cc1OCC 33608924 STDZBNLKHZNQCL-HMAPJEAMSA-N 370.449 4.172 30 40 FIEB C[C@]12CC[C@@H]3[C@@H]([C@H]4C[C@H]4C4=CC(=O)CC[C@@]43C)[C@H]1[C@@H]1C[C@@H]1[C@]21CCC(=O)O1 97745323 METQSPRSQINEEU-VWTROAPRSA-N 366.501 4.306 30 40 FIEB O=C1C(SC(F)(F)C(F)F)=C(C(F)(F)F)O[C@@H]2[C@@H]3C=C[C@H](C3)[C@@H]12 100125505 JXTBELKWIIAVQB-MNCSTQPFSA-N 362.266 4.141 30 40 FIEB CCCN1Cc2cc3c(C)nn(-c4ccccc4)c3nc2S/C1=N\C 257275150 NOBWVCFTMZHYDP-VXPUYCOJSA-N 351.479 4.032 30 40 FIEB N#CC[C@@H]1CCCN(C(=O)c2cn(Cc3ccccc3)c3ccccc23)C1 597916941 VFLNCSLBFXTYEX-IBGZPJMESA-N 357.457 4.455 30 40 FIEB Cc1nn(C)c(C)c1/N=C/c1c(O)ccc2cc(Br)ccc12 1095833 NJEPEOXMUWBMBA-DJKKODMXSA-N 358.239 4.409 30 40 FIEB COc1ccccc1OCCCC(=O)Nc1sc2c(c1C#N)CCCC2 1893030 CGCLINSOHKTKNW-UHFFFAOYSA-N 370.474 4.305 30 40 FIEB CC(C)(C)c1ccc(-c2nnc(S)n2/N=C\c2cccc(O)c2)cc1 4475181 BQRIMHPZQFEGSA-NDENLUEZSA-N 352.463 4.119 30 40 FIEB Cc1cc(C)c2nc(SCC(=O)Nc3nc(C)cs3)c(C#N)cc2c1 4849171 FTBCGDBMOWMYHK-UHFFFAOYSA-N 368.487 4.219 30 40 FIEB CC[C@H]1S/C(=N/N=C/c2cccs2)N(Cc2ccc(OC)cc2)C1=O 4903375 QUHWNMZSBVUDQI-QPNCIOBRSA-N 373.503 4.001 30 40 FIEB Cc1ccc(N2C(=O)CC[C@]2(C#N)c2ccc(Br)cc2)cc1 5047063 UGBLJJGHPNYDTM-SFHVURJKSA-N 355.235 4.303 30 40 FIEB N#Cc1ccc(OCC(=O)c2ccc(Br)cc2)c(Cl)c1 7856210 HWBQCKSQMVRCIE-UHFFFAOYSA-N 350.599 4.236 30 40 FIEB C=CCOc1c(Br)cc(CNCc2ccccc2)cc1OC 8470099 CUJNCQYBIHLBIV-UHFFFAOYSA-N 362.267 4.312 30 40 FIEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccn1 19536415 HOLYIDAAZZBEMD-HXUWFJFHSA-N 368.477 4.029 30 40 FIEB CCc1cc(Br)c2c(c1)N[C@@]1(C=C(C)OC(C)=C1C(C)=O)O2 40546388 VENFFKDGEKTMSN-KRWDZBQOSA-N 364.239 4.309 30 40 FIEB C=CCn1/c(=N/C(=O)c2ccc(SC)cc2)sc2cc(F)ccc21 101041574 WVEWTXTUJSLHJV-ZZEZOPTASA-N 358.463 4.491 30 40 FIEB O=[N+]([O-])c1ccc(/C=N/c2ccc(-c3nnc4n3CCCCC4)cc2)cc1 3233534 AZMGMIMPUMZFSR-KGENOOAVSA-N 361.405 4.330 30 40 FIEB O=C1c2ccccc2C(=O)C1(c1nc2c(ccc3ccccc32)s1)[N+](=O)[O-] 4015211 YHNCGSAZKXWOOM-UHFFFAOYSA-N 374.377 4.001 30 40 FIEB Cc1ccc(-c2csc(SCC(=O)N[C@@](C)(C#N)C3CC3)n2)cc1 5803384 OGTOMSPZRYOXDN-SFHVURJKSA-N 357.504 4.019 30 40 FIEB CCOc1cc2c(cc1/C=C/C(=O)c1ccc(N(C)C)cc1)O[C@H](C)C2 12523384 RBVLTBXHSHAELD-KUCQQTCKSA-N 351.446 4.371 30 40 FIEB N#Cc1c(Cl)nsc1N[C@H]1CCCc2c1cnn2Cc1ccccc1 51922696 WKUMFSDIIIVWES-HNNXBMFYSA-N 369.881 4.402 30 40 FIEB COc1cccc(/C=C2\SC(=Nc3cc(Cl)ccc3OC)NC2=O)c1 408867480 IQCWLXJXPMFCIB-SXGWCWSVSA-N 374.849 4.249 30 40 FIEB O=C(/C=C/c1cccn1-c1cccc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 1772765514 JLSWXUHXAIGTHU-ZHACJKMWSA-N 358.357 4.158 30 40 FIEB O/N=C/c1ccccc1OC[C@H](O)Cn1c2ccccc2c2ccccc21 860659 MEGBUZOFMDCCMS-YXUUZYBBSA-N 360.413 4.043 30 40 FIEB N#Cc1cc2c(nc1SCC(=O)Nc1ccccc1F)CCCCC2 1026825 OYZNMCHGQKUIBJ-UHFFFAOYSA-N 355.438 4.092 30 40 FIEB NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN1C1CCCCC1 3193385 WITLHQPGGRNANK-UHFFFAOYSA-N 373.909 4.308 30 40 FIEB O=[N+]([O-])c1ccc(OC(F)F)c(/C=N/Nc2nc3ccccc3s2)c1 5258575 LUSYJRZLERITSS-QGMBQPNBSA-N 364.333 4.252 30 40 FIEB COC(=O)c1ccc(-c2ccc(/C=N/Nc3nc4ccccc4[nH]3)o2)cc1 5400271 GDWFKARUYAZNQV-CIAFOILYSA-N 360.373 4.056 30 40 FIEB O=C1N/C(=N\c2ccc(Br)cc2)S/C1=C/c1ccccc1 5556458 YAQCLVXUPAZGJV-GXDHUFHOSA-N 359.248 4.341 30 40 FIEB N#Cc1c(-c2cccc([N+](=O)[O-])c2)cc(-c2ccc(Cl)cc2)nc1N 19331238 KSVWRKDNHMIWEI-UHFFFAOYSA-N 350.765 4.431 30 40 FIEB C=CCOc1ccc(/C=C2\S[C](Nc3ccccc3F)NC2=O)cc1 408803956 BGOCFVSITBKFRQ-UHFFFAOYSA-N 355.414 4.153 30 40 FIEB CC(=O)CCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1083807017 QFUJXIMJIPIVLV-UHFFFAOYSA-N 370.158 4.086 30 40 FIEB C#CC(C)(C)Oc1ccc2c(=O)c(-c3ccc(OC)c(OC)c3)coc2c1 1609177 OKCVPZBKTYCRJU-UHFFFAOYSA-N 364.397 4.268 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccs2)C[C@H]1c1ccccc1OCC 4918888 MYJCZPVVTISDHE-JXFKEZNVSA-N 370.470 4.466 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(OC)c2)C[C@@H]1c1ccc(F)cc1 4919212 MTMRFZDDSPMDJN-CTNGQTDRSA-N 368.404 4.154 30 40 FIEB Cc1ccc(C)c2nc(SCC(=O)NC3CCCCC3)c(C#N)cc12 6233677 ZWCWBZRFKYQRTM-UHFFFAOYSA-N 353.491 4.264 30 40 FIEB CC/N=c1\scc(-c2cc(OC)ccc2OC)n1/N=C(\C)c1ccco1 6378028 YEOMQAMBEFCHPQ-XLCMADMESA-N 371.462 4.020 30 40 FIEB CC(C)N1C(=O)/C(=N\Nc2ccnc3cc(Cl)ccc23)c2ccccc21 6830889 JPMQATANLLLBNL-CLCOLTQESA-N 364.836 4.459 30 40 FIEB CCCc1cc(=O)oc2cc(Oc3ccc([N+](=O)[O-])cc3C#N)ccc12 7983154 YWPYLQXZUNJBHI-UHFFFAOYSA-N 350.330 4.318 30 40 FIEB C=CCOc1ccc(NC(=O)C2CCN(Cc3ccccc3C)CC2)cc1 39762958 AKIKLWQGVMCFEG-UHFFFAOYSA-N 364.489 4.411 30 40 FIEB Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3cccc(C#N)c3)c12 40128663 RTUZAZDPROXNDK-UHFFFAOYSA-N 373.460 4.496 30 40 FIEB O=C(/C=C/Nc1ccc(Br)cc1F)c1ccc2c(c1)OCO2 44842692 ZCPWSDMUILZECC-AATRIKPKSA-N 364.170 4.125 30 40 FIEB Cc1oc(/N=C/c2ccc(I)cc2)c(C#N)c1C 1231853 HTAZDIVACKZMRW-CAOOACKPSA-N 350.159 4.123 30 40 FIEB CCCOC(=O)c1ccc(/N=C/c2cc(Br)ccc2O)cc1 2131587 PNEOCDJCBMWXOM-YBFXNURJSA-N 362.223 4.472 30 40 FIEB CO/N=C1\CC(C)(C)Cc2nnc(-c3ccc(Br)cc3)cc21 5191009 HLQNJCGTBIPPCA-LTGZKZEYSA-N 360.255 4.229 30 40 FIEB CC1=C(C(=O)c2ccccc2)[C@@H](c2cccc(C(F)(F)F)c2)NC(=O)N1 5517424 MLLSZMXLQMTNJP-MRXNPFEDSA-N 360.335 4.216 30 40 FIEB O=C1N/C(=N/c2ccccc2C(F)(F)F)S/C1=C/c1ccc(O)cc1 35644264 NRELKHRKGIQGIS-NTEUORMPSA-N 364.348 4.303 30 40 FIEB O=C(/C=C/Nc1ccccc1C(=O)c1ccccc1)c1ccc2c(c1)OCO2 44842503 ZWPLOTIAPJYERS-OUKQBFOZSA-N 371.392 4.455 30 40 FIEB O=[N+]([O-])c1cccnc1N/N=C/c1ccc(OCc2cccc(F)c2)cc1 409102157 CUZCYWISRFGGON-WSDLNYQXSA-N 366.352 4.154 30 40 FIEB CCOc1ccc2nc(SCC(=O)Nc3ccc(C#N)cc3)sc2c1 811496 CSIIGUBBWMSALX-UHFFFAOYSA-N 369.471 4.297 30 40 FIEB C=CCn1c([C@@H]2CC(=O)N(c3ccc(OCC)cc3)C2)nc2ccccc21 1447768 VIZGGIRUKRYCEQ-MRXNPFEDSA-N 361.445 4.142 30 40 FIEB O=C1/C(=N/c2ccccc2)c2ccccc2N1CN1CCc2ccccc2C1 2182034 OXJRAKCTMRITHZ-WJTDDFOZSA-N 367.452 4.170 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccccc2)C[C@H]1c1ccc(OC)cc1 2205017 CTEUILIVXVVQJX-PZJWPPBQSA-N 350.414 4.015 30 40 FIEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](/C=C/c1ccccc1)n1ncnc1N2 5390574 JCOWSASSMIDHRN-FKRMPVFOSA-N 368.440 4.359 30 40 FIEB FC(F)Oc1ccc(/C=N/Nc2nc3ccccc3[nH]2)c(OC(F)F)c1 5560153 XLHYJBNMKIPVKB-ODCIPOBUSA-N 368.290 4.212 30 40 FIEB O=C(/C=C/c1ccccc1)Oc1ccc2c(c1)O/C(=C\c1cccnc1)C2=O 5785375 LIBNOBPQOZJNGI-NNLIIISGSA-N 369.376 4.317 30 40 FIEB biogenic O=S(=O)(/N=C(/Nc1cccc(F)c1)c1ccccc1)c1ccccc1 6343890 UPIYMPIASCAUAE-UHFFFAOYSA-N 354.406 4.073 30 40 FIEB COc1ccc(Br)c2c1/C(=N/OC(=O)c1ccc(C)cc1)CC2 8372194 MHXPAQUYWZCZBT-HMMYKYKNSA-N 374.234 4.273 30 40 FIEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3ccsc3)c2)c1 12736167 GKSSMGVKXKNMFJ-UHFFFAOYSA-N 361.422 4.187 30 40 FIEB COc1ccc(-c2cc(C(=O)NC3(C#N)CCCC3)c3ccccc3n2)cc1 89454033 BQBWNTAVVLPAPS-UHFFFAOYSA-N 371.440 4.477 30 40 FIEB C=CCc1cccc(CN2[C@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)c1O 100727370 KJRKDVBDXXKMMC-SFTDATJTSA-N 367.464 4.274 30 40 FIEB COc1cccc(Oc2c(N)cc(C#N)n2Cc2ccccc2Cl)c1 225884044 BMTVWLSIAKPWMM-UHFFFAOYSA-N 353.809 4.445 30 40 FIEB COc1ccc(Oc2c(N)cc(C#N)n2Cc2ccccc2Cl)cc1 225884650 CCUMOPSADLTCOY-UHFFFAOYSA-N 353.809 4.445 30 40 FIEB O=[N+]([O-])c1cccnc1N/N=C/c1ccccc1OCc1ccc(F)cc1 409094737 FVQJOCSAMLVISU-WSDLNYQXSA-N 366.352 4.154 30 40 FIEB C=C(C)CN1C(=O)N(c2cc(C)ccc2C)S(=O)(=O)c2ccccc21 1889098187 WANBNJQMDSHBCY-UHFFFAOYSA-N 356.447 4.015 30 40 FIEB COc1cc(/C=N/c2ccccc2Br)cc(OC)c1OC 3182426 LZWIJUPOGHHVTP-VCHYOVAHSA-N 350.212 4.226 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccs2)C[C@H]1c1ccc(OC)cc1 4119641 AUJXMNWHWIFADL-LPHOPBHVSA-N 356.443 4.076 30 40 FIEB Cc1ccc(CN(C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)o1 6510843 RZGPXJPZEZEREC-UHFFFAOYSA-N 371.506 4.251 30 40 FIEB CCCCCCCCCCCC[C@H](C[N+](C)(C)C)OP(=O)(O)O 95803181 JIEKULUKSDKCJM-QGZVFWFLSA-O 352.476 4.482 30 40 FIEB O=C1C(=O)N(c2ccccc2)[C@@H](c2ccc(F)cc2)/C1=C(\O)c1ccccc1 100439875 BQEHVJQOZUWCQY-NHFXJNLRSA-N 373.383 4.452 30 40 FIEB Cn1nccc1/C=C1\C[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]2(C)C1=O 107049487 ANYSKZGJSBHZPP-QZLQRYDZSA-N 362.473 4.244 30 40 FIEB C#C[C@]1(OC(C)=O)CC[C@H]2[C@H]3CCc4cc(OC)ccc4[C@H]3CC[C@@]21C 4026281 VUOXWYSHLSLTID-QCBQRGATSA-N 352.474 4.486 30 40 FIEB CCc1ccc2nc(SCC(=O)N[C@H]3CCCC[C@@H]3C)c(C#N)cc2c1 4848950 SFKMIKMYQNLRPL-KSSFIOAISA-N 367.518 4.456 30 40 FIEB COc1cc(OC)c(/C=N/Nc2ccc(Cl)c(Cl)c2)c(OC)c1 5163121 OANWALKROUZZDT-DJKKODMXSA-N 355.221 4.465 30 40 FIEB C=CCN1C(=O)c2[nH]nc(-c3ccc(C)cc3O)c2[C@@H]1c1ccc(C)cc1 8845759 TXLCMXKUTDQGLQ-NRFANRHFSA-N 359.429 4.130 30 40 FIEB C=CCNC(=O)c1ccccc1NC(=O)CCc1ccc(C(C)C)cc1 10338549 JYSUEJFOFQUZCR-UHFFFAOYSA-N 350.462 4.297 30 40 FIEB C=CCc1cc(C(=O)Nc2ccc(Cl)c(C(=O)OC)c2)ccc1OC 14399373 PFHBNDQNLVVRTM-UHFFFAOYSA-N 359.809 4.116 30 40 FIEB FC(F)Oc1ccc(/C=N/OCc2cn3cc(Cl)ccc3n2)cc1 21279205 HVRWDTCUYVXDHZ-IFRROFPPSA-N 351.740 4.140 30 40 FIEB Cc1nc2n(n1)[C@H](c1ccc(Cl)c(Cl)c1)C1=C(C[C@H](C)CC1=O)N2 22608080 FSFRPPJEMRZMTD-ZKANADHPSA-N 363.248 4.161 30 40 FIEB Cn1c([C@H](C#N)C(=O)Cc2ccc(Cl)cc2Cl)nc2ccccc21 40162324 QFAWUPPQJBJCHH-CYBMUJFWSA-N 358.228 4.299 30 40 FIEB O=C1C[C@@H](c2ccc(Cl)c(Cl)c2)C2=C(O1)C(=O)c1ccccc1C2=O 100207490 ANHGBJIYAICRGQ-LBPRGKRZSA-N 373.191 4.357 30 40 FIEB C=CCN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(SC)cc1 224974539 KURNSAXAWHUIRT-UHFFFAOYSA-N 353.896 4.443 30 40 FIEB C[C@]12CC[C@@H]3[C@H]([C@@H]4C[C@@H]4C4=CC(=O)CC[C@@]43C)[C@H]1[C@H]1C[C@H]1[C@@]21CCC(=O)O1 334162316 METQSPRSQINEEU-XVSDVGSWSA-N 366.501 4.306 30 40 FIEB O=C(O)COc1ccc(/C=N\c2ccccc2Br)cc1Cl 408854258 BAKVCARFUPIYRB-LSCVHKIXSA-N 368.614 4.317 30 40 FIEB COc1ccccc1/C=C/C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 941489 VYFBYEKVJJTKFT-FROQITRMSA-N 352.459 4.405 30 40 FIEB CC(C)[C@]12CCC(=O)C=C1CCC[C@@H]2OC(=O)c1ccccc1C(=O)O 1569976 PCHQKPBVBNDDJB-GHTZIAJQSA-N 356.418 4.026 30 40 FIEB S=C(N/N=C(/c1ccccc1)c1ccccn1)Nc1ccc(Cl)cc1 6514068 ZCNFOECEQFCKQH-NKFKGCMQSA-N 366.877 4.474 30 40 FIEB N#Cc1ccccc1OCC(=O)N[C@H](c1ccc(F)cc1)c1cccs1 12795627 XAUPYFVAMXPMEA-HXUWFJFHSA-N 366.417 4.043 30 40 FIEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1cccs1)Nc1nonc1N2 40267178 GBXYZFBNVDHXJQ-SJCJKPOMSA-N 364.430 4.111 30 40 FIEB Cc1cc(Cl)ccc1OCCCNC(=O)CCc1ccc(C#N)cc1 48325027 NVHMGYVOLVTOSS-UHFFFAOYSA-N 356.853 4.038 30 40 FIEB C=CCOC[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 97957393 PQMAXQVNXSOWGI-RXMQYKEDSA-N 356.131 4.224 30 40 FIEB O=C1/C(=N\Nc2ccc(Cl)cc2)C(C(F)(F)F)=NN1c1ccccc1 100408704 KIWOUWOTXLVOPG-XKZIYDEJSA-N 366.730 4.073 30 40 FIEB C(=N/n1c(SCc2ccccc2)nnc1-c1cccnc1)\c1ccco1 716115 RWRCZOQCICJZLP-FYJGNVAPSA-N 361.430 4.108 30 40 FIEB O=C(NC(=O)c1c(F)cccc1F)O/N=C/C(Cl)=C/c1ccccc1 2570445 CEKDMJXFFHAJQZ-FUZYYYJCSA-N 364.735 4.097 30 40 FIEB CN1C(=O)N[C@H](c2ccccc2C(F)(F)F)C2=C1CC(C)(C)CC2=O 3213119 XDQNCHOESMAGEM-OAHLLOKOSA-N 352.356 4.045 30 40 FIEB O=[N+]([O-])c1ccc(NN=C2c3ccccc3Cc3ccccc32)c([N+](=O)[O-])c1 3954495 IURNRMYJBRECDR-UHFFFAOYSA-N 374.356 4.272 30 40 FIEB in-vitro CN1C(=O)N[C@H](c2ccc(C(F)(F)F)cc2)C2=C1CC(C)(C)CC2=O 4009250 GPGODZUAJFJQAG-OAHLLOKOSA-N 352.356 4.045 30 40 FIEB C=CCN1C(=O)[C@@](O)(CC(=O)c2cc(C(C)C)ccc2C)c2ccccc21 4321082 HJBVBDLKOMSKEZ-HSZRJFAPSA-N 363.457 4.112 30 40 FIEB N#Cc1ccccc1NC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 5866847 JMJCUOGFXZGFJZ-ZRDIBKRKSA-N 359.341 4.378 30 40 FIEB CCN(C(=O)COc1ccc(C#N)cc1)c1nc2cc(Cl)ccc2s1 6083033 BAQLXOONBHLNKO-UHFFFAOYSA-N 371.849 4.253 30 40 FIEB C=CCSc1nc2n(n1)[C@H](c1ccccc1)C1=C(CC(C)(C)CC1=O)N2 6677857 HUTYXOSEWUKYNH-QGZVFWFLSA-N 366.490 4.214 30 40 FIEB C=CCSc1nnc(NC(=O)Cc2cccc(C(F)(F)F)c2)s1 7594457 WHVJBRDSLAWWJD-UHFFFAOYSA-N 359.398 4.016 30 40 FIEB Cc1ccccc1/C=N/Nc1nc2ccccc2c(=O)n1-c1ccccc1 8306414 MDMNCKWKRCKWCE-HZHRSRAPSA-N 354.413 4.140 30 40 FIEB C=CCN(CC=C)C(=O)CSc1nnc(Nc2ccccc2CC)s1 10344947 MEWJZYAFDXWDNA-UHFFFAOYSA-N 374.535 4.137 30 40 FIEB CC1(C)CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1c(Cl)cccc1Cl 12348876 SFTXVHKGSDZOLM-OAHLLOKOSA-N 363.248 4.243 30 40 FIEB CCOc1ccc(/N=C2\CCCN2C(=O)Nc2cccc(OC)c2)cc1 16778101 FCHLAVWMEJDACL-XUTLUUPISA-N 353.422 4.452 30 40 FIEB C/C(=N\NC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1ccncc1 20786763 HNEGTRNKRZJLHX-LSFURLLWSA-N 372.803 4.464 30 40 FIEB N#CCOC(=O)c1ccccc1Sc1ncnc2sc3c(c12)CCC3 21450189 ZHUZEYOOJVJUBS-UHFFFAOYSA-N 367.455 4.012 30 40 FIEB Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc(C)c2C#N)cc1 27789295 KIUSVPAOCDYPRT-UHFFFAOYSA-N 374.469 4.363 30 40 FIEB CCOc1cc(/C=N\O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 100250336 HVMBOGBSRQAJOO-NVMNQCDNSA-N 350.758 4.034 30 40 FIEB C=CCOC(=O)/C=C/c1ccc(OCc2cccnc2)c(Br)c1 226332870 DLMXVTQWHCKHCW-SOFGYWHQSA-N 374.234 4.166 30 40 FIEB Cc1ccc(/C=C2/SC(=Nc3ccc([N+](=O)[O-])cc3C)NC2=O)cc1 408751713 AMWMOQKEHCFECW-MHWRWJLKSA-N 353.403 4.103 30 40 FIEB Cc1cc(C(=O)O)ccc1N/C=C/C(=O)c1ccc(Br)cc1 409182107 IEWVIEOHDRSDKM-CMDGGOBGSA-N 360.207 4.264 30 40 FIEB Cc1ccc2cc(C#N)c(SCC(=O)N3c4ccccc4C[C@H]3C)nc2c1 4848990 KLZKXDNYMZUIGF-OAHLLOKOSA-N 373.481 4.485 30 40 FIEB Cc1cc(C(=O)COC(=O)c2ccccc2-c2ccccc2C#N)c(C)n1C 5147331 FEVPUNNEYFZJFC-UHFFFAOYSA-N 372.424 4.220 30 40 FIEB O=C(Oc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O)c1ccco1 13758290 WWTXEJJELMVWKB-ZDLGFXPLSA-N 350.301 4.254 30 40 FIEB C=CCSc1nc2ccccc2n1C(=O)COc1ccccc1OC 26964132 VQGSOJLTUOUNHA-UHFFFAOYSA-N 354.431 4.042 30 40 FIEB C#CCOc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2ccccc2F)cc1 36354474 OYACTKAKPPKPJW-MRXNPFEDSA-N 361.376 4.147 30 40 FIEB N#Cc1ccc(CCC(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)cc1 40107093 UMLMHTWPVMGMLI-UHFFFAOYSA-N 361.376 4.456 30 40 FIEB C=CCn1c(-c2ccccc2)cs/c1=N/c1ccc(O)c(C(=O)O)c1 102941592 YGHUXWNCOHTVCV-FMQUCBEESA-N 352.415 4.039 30 40 FIEB CN1C(=O)/C(=N/Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc21 102982055 VQLGFRGVVNGVEQ-HYARGMPZSA-N 353.731 4.151 30 40 FIEB CCOc1ccc(/C=N\n2c(S)nnc2-c2ccc(Cl)cc2)cc1 1478065 CJJXUEGDBWHUQU-ODLFYWEKSA-N 358.854 4.168 30 40 FIEB Cc1ccc(-c2ccccc2C(=O)OCC(=O)Nc2ccccc2C#N)cc1 3219225 YDBOHKNERAXLDV-UHFFFAOYSA-N 370.408 4.329 30 40 FIEB S=C(N/N=C/c1ccccc1Br)Nc1ccc(Cl)cc1 3253411 ZDXZDSAFPIEGBT-RQZCQDPDSA-N 368.687 4.423 30 40 FIEB O=C1N/C(=N/c2ccccc2C(F)(F)F)S/C1=C\c1ccc(O)cc1 5376342 NRELKHRKGIQGIS-ZROIWOOFSA-N 364.348 4.303 30 40 FIEB Brc1cc(Br)c2ccccc2c1OC[C@@H]1CO1 5664095 SDRYOWQNODAMIL-QMMMGPOBSA-N 358.029 4.142 30 40 FIEB N#Cc1ccccc1OCC(=O)N(CC(F)(F)F)c1ccc(Cl)cc1 24833711 WYPYGDWFANCCGS-UHFFFAOYSA-N 368.742 4.186 30 40 FIEB CCOC(=O)Cc1ccc(C(=O)/C=C/c2cc(Cl)c(O)c(OC)c2)cc1 32915312 ZJHIDGCASOINDH-RMKNXTFCSA-N 374.820 4.056 30 40 FIEB O=C(/C=C/c1ccc(OCc2ccccn2)cc1)c1ccc2c(c1)OCCO2 40139576 GBEZOBMQCXIVKT-UXBLZVDNSA-N 373.408 4.328 30 40 FIEB C#C[C@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118913973 LFSRETZWVUHKLB-KIYFCUGLSA-N 356.506 4.245 30 40 FIEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C[C@]5(C(C)=O)O[C@H]5[C@@]4(C)CC[C@H]32)C1 253501262 GWZAVXCYXHGFFE-ULBIZVPJSA-N 372.505 4.217 30 40 FIEB COc1ccccc1N1CCN(/N=C/C(Cl)=C/c2ccccc2)CC1 2210241 CJMNNPHUGBJINN-MXXLVYNCSA-N 355.869 4.083 30 40 FIEB CCCc1nc2sc3c(c2c(=O)n1/N=C/c1ccc(F)cc1)CCCC3 2279884 WPLYVCWZUYDZNN-WSDLNYQXSA-N 369.465 4.311 30 40 FIEB O=[N+]([O-])c1ccc(O)c(/C=N/c2cccc(-c3nc4ncccc4o3)c2)c1 3042677 DUCOLNPORBMRRQ-SRZZPIQSSA-N 360.329 4.254 30 40 FIEB CCOC(=O)/C(=N\Nc1cccc(C(F)(F)F)c1)N1CCCC[C@H]1CC 3182617 WGDSJLDVPFIPOG-BXDHAIISSA-N 371.403 4.258 30 40 FIEB Cc1cc(C)cc(NC2=C(N3CCCCC3)C(=O)c3ccccc3C2=O)c1 4173649 YGYCDVLQZDDCTK-UHFFFAOYSA-N 360.457 4.492 30 40 FIEB CCc1c(C)sc(NC(=O)[C@@H]2CC(c3ccccc3Cl)=NO2)c1C#N 4504959 ZDWBWSKMOJTVKV-INIZCTEOSA-N 373.865 4.276 30 40 FIEB CN(C)S(=O)(=O)c1ccc(C(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 6048962 BKMKZYVRSWKUEC-OVCLIPMQSA-N 371.502 4.131 30 40 FIEB Cc1nc(NC(=O)C2(c3ccc(Cl)cc3)CC2)sc1SCC#N 59287276 NNHCESOHMWMGCV-UHFFFAOYSA-N 363.895 4.391 30 40 FIEB C=CCN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 224855514 SLEIHUFLGAADGV-UHFFFAOYSA-N 372.273 4.383 30 40 FIEB O=C1CSC(=S)N1/N=C/c1ccc(Sc2ccc(Cl)cc2)o1 409350593 YNJRTFBIGPVICY-FRKPEAEDSA-N 368.892 4.278 30 40 FIEB CCCCC(=O)NC(Nc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F 5645553 LFGLDLOKCQZXSK-UHFFFAOYSA-N 360.273 4.365 30 40 FIEB COc1cc(C(=O)/C=C/c2c(F)cccc2Cl)cc(OC)c1OC 6647658 QIDOWOUYCLRWCK-BQYQJAHWSA-N 350.773 4.401 30 40 FIEB CCOc1ccc(-n2c(SCCC#N)nnc2-c2ccccc2)cc1 6831409 IFFFOJOKXMITHX-UHFFFAOYSA-N 350.447 4.339 30 40 FIEB Cc1cccc(N/C(=N/S(=O)(=O)c2cccs2)c2ccccc2)c1 12524671 ZXFWVLIOHWGWGM-UHFFFAOYSA-N 356.472 4.304 30 40 FIEB Cc1ccc(OCc2nc(C#N)c(NCCc3cccs3)o2)c(C)c1 32624546 OQVLAHHQBCVETL-UHFFFAOYSA-N 353.447 4.458 30 40 FIEB Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2cc(C)n(C)c2C)S1 408773092 SRPYYNSZQPYTKY-PXNMLYILSA-N 359.882 4.495 30 40 FIEB CCN1C(=O)/C(=C\c2ccc(OC)cc2)S/C1=N/c1ccc(OC)cc1 409230076 WXDWDHHHTZZHPQ-KXNKKEQVSA-N 368.458 4.328 30 40 FIEB C=C(C)COc1cc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)ccc1OC 997407 NZPRICFQGBYNTI-YVLHZVERSA-N 367.376 4.134 30 40 FIEB Cc1cccc2cc(C#N)c(SCC(=O)N3c4ccccc4C[C@H]3C)nc12 4849022 HJYSBNFLAXPOAI-OAHLLOKOSA-N 373.481 4.485 30 40 FIEB O=[N+]([O-])c1ccc2c(c1)/C(=N\Nc1ccnc3cc(Cl)ccc13)C(O)=N2 6831399 DZXHNGNQNQPDBT-UHFFFAOYSA-N 367.752 4.214 30 40 FIEB COc1cc(/C=C/C(=O)c2ccc(OCC(C)C)cc2)cc(OC)c1O 7712856 DFINGCLNVQPBGM-BJMVGYQFSA-N 356.418 4.340 30 40 FIEB C=CCOc1ccc(CN(C)Cc2nc(N)c3c(C)c(C)sc3n2)cc1 12734313 GZDWNSWIOKDPPP-UHFFFAOYSA-N 368.506 4.087 30 40 FIEB C[C@H](NP1(=O)OCC(C)(/N=C/c2ccccc2)CO1)c1ccccc1 18066481 WIHUNSNLHKQZMN-FRRYKVQGSA-N 358.378 4.370 30 40 FIEB CCOc1cc(Cl)cc(/C=N/c2ccc(CN3CCOCC3)cc2)c1O 22362731 ODYRYLJSXFSOEE-LPYMAVHISA-N 374.868 4.027 30 40 FIEB COc1cc(/C=C2/CCc3c(C)cc(C)cc3C2=O)cc([N+](=O)[O-])c1O 96767097 LWWZKJGOZRZLPT-ZSOIEALJSA-N 353.374 4.138 30 40 FIEB COCC/N=c1/scc(-c2cccs2)n1/N=C/c1sccc1C 103459394 RSZDCOUQLZJZEW-XQQBCGPQSA-N 363.533 4.077 30 40 FIEB C=CCSc1nnc(NC(=O)[C@H](CC)Oc2cccc(C)c2C)s1 224023683 ORQOQIRENORQRC-ZDUSSCGKSA-N 363.508 4.229 30 40 FIEB C=CCSc1ccccc1C(=O)NCc1ccccc1CN1CCCC1 224792563 IROYVRWXAQIDIZ-UHFFFAOYSA-N 366.530 4.491 30 40 FIEB CC1=NN(c2ccccc2)C(=O)[C@@H]1[C@H](c1ccccc1Cl)C(C#N)C#N 1025000 WIJSAXPPEWLGOQ-OALUTQOASA-N 362.820 4.126 30 40 FIEB O=C(/C=C/c1ccc(Br)cc1)C1=C(O)c2ccccc2C1=O 2271770 MRMBVOJGMKTRLY-JXMROGBWSA-N 355.187 4.197 30 40 FIEB COc1ccccc1/C=N/c1c(Cl)c(Cl)nc(C(=O)O)c1Cl 5514981 XHAVRIZWLRXUSD-NGYBGAFCSA-N 359.596 4.499 30 40 FIEB Clc1ccccc1CN/N=C/c1ccccc1I 8811489 SKCLJZMKHCQGRB-VCHYOVAHSA-N 370.621 4.068 30 40 FIEB CCOc1cc(C#N)cc(Br)c1OC(=O)c1cccc(F)c1 13140751 KJIUUAKNNZGHRK-UHFFFAOYSA-N 364.170 4.078 30 40 FIEB N#Cc1cccc(NCC(=O)NCCC(c2ccccc2)c2ccccc2)c1 15294355 JPJPTVXKSVTNDZ-UHFFFAOYSA-N 369.468 4.309 30 40 FIEB Cc1cc(C#N)ccc1C(=O)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 183993117 CQGWWDZXIIXIRO-GOSISDBHSA-N 374.362 4.099 30 40 FIEB C=CCSc1nnc(NC(=O)CCSCc2ccccc2)s1 225693478 IVSLLLZRZZJADD-UHFFFAOYSA-N 351.522 4.078 30 40 FIEB C=CCSc1nnc(NC(=O)c2ccc(N3CCCCC3)cc2)s1 225867515 TYXHHACEKUFAKJ-UHFFFAOYSA-N 360.508 4.059 30 40 FIEB C/N=C1/S/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N1C 408928347 AFSZBUVVKZSOHX-WZOFUNJYSA-N 372.877 4.451 30 40 FIEB CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(CC)c3C)S2)cc1 408950015 DBYHYDZOWJIMEN-LDADJPATSA-N 369.490 4.415 30 40 FIEB C/C(=N/Nc1nc(-c2ccccc2)c(CC(=O)O)s1)c1ccccc1 4311288 TYPHFPKEEZXCIG-BKUYFWCQSA-N 351.431 4.273 30 40 FIEB O=[N+]([O-])c1ccc(/N=C(/c2ccc([N+](=O)[O-])cc2)N2CCCCC2)cc1 4566487 KHZQIEIAALOFTP-HNENSFHCSA-N 354.366 4.067 30 40 FIEB CC(=O)O[C@@H]1C[C@H]2C(C)(C)CCC[C@]2(C)C2=C1C(=O)C(C(C)C)=C(O)C2=O 5500997 XDBVTCDGDQLEKG-QLEMLULZSA-N 374.477 4.071 30 40 FIEB biogenic Cc1ccccc1NC(=O)COc1ccc(C(=O)/C=C/c2cccnc2)cc1 7586184 DHXDBXGTHVXDOJ-MDWZMJQESA-N 372.424 4.304 30 40 FIEB COCCCNc1oc(-c2ccc(COc3cccc(C)c3)o2)nc1C#N 12419003 UFYPHERSIZFZCM-UHFFFAOYSA-N 367.405 4.142 30 40 FIEB COc1cc(/C=N/Nc2ccc(Cl)c(C(=O)O)c2)cc(Cl)c1OC 13350274 XQBBTYCKDXTERC-UFWORHAWSA-N 369.204 4.155 30 40 FIEB CC1CCN(Cc2c(O)ccc3c2O/C(=C\c2cccs2)C3=O)CC1 20503417 BBWNCFVWFPIWFP-WQRHYEAKSA-N 355.459 4.302 30 40 FIEB biogenic Cc1ccc(-c2nc(C#N)c(NC[C@H](c3ccco3)N3CCCC3)o2)cc1 27664470 MWSGKRSGCAYBKZ-GOSISDBHSA-N 362.433 4.364 30 40 FIEB O=C(/C=C/c1ccc(-n2cncn2)c(F)c1)c1cccc(C(F)(F)F)c1 40047107 ZOQFOPNZJMETNM-FNORWQNLSA-N 361.298 4.321 30 40 FIEB CC(C)c1ccc(S(=O)(=O)/N=C2/C=C(Cl)C(=O)c3ccccc32)cc1 100823086 NWFXZHXLRZYXBX-UZYVYHOESA-N 373.861 4.307 30 40 FIEB COc1cc(N2CCCCC2)ccc1/C=N/OCc1cccc([N+](=O)[O-])c1 408590112 GDJOEBLJPCCDAC-KGENOOAVSA-N 369.421 4.144 30 40 FIEB C#CCn1c([C@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2)nc2ccccc21 4033418 QRVHUSDHRDYCBU-SFHVURJKSA-N 357.457 4.115 30 40 FIEB COc1ccccc1[C@@H]1[C@H](C(=O)C23CC4CC(CC(C4)C2)C3)C1(C#N)C#N 4901522 PTDSOIWLJOGFNU-JRRQCCCHSA-N 360.457 4.228 30 40 FIEB C=CCOc1ccc(CN(C)C[C@H](O)COc2ccccc2C(C)C)cc1 6790356 MCPXDPXWLHKVHP-FQEVSTJZSA-N 369.505 4.247 30 40 FIEB Cc1ccc(-c2csc3ncn(Cc4cccc(C#N)c4)c(=O)c23)s1 7671964 DGNIQBPVTOSUNX-UHFFFAOYSA-N 363.467 4.415 30 40 FIEB CN1C(=O)/C(=C/c2ccc(Cl)cc2)S/C1=N\c1cccc(C(=O)O)c1 8642746 JMTPMAALMKCZGK-NGDANQHJSA-N 372.833 4.272 30 40 FIEB C=CCc1cc(C(=O)Nc2cc(C(=O)OCC)ccc2C)ccc1OC 13674196 ORAAAXJTZNLEJA-UHFFFAOYSA-N 353.418 4.161 30 40 FIEB CC(C)[C@@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 26758790 JCSDFPJCWYHHKT-LJQANCHMSA-N 353.378 4.047 30 40 FIEB N#Cc1nc(-c2cccnc2)oc1NC[C@H](c1ccccc1)N1CCCCC1 35672587 QVESBOVJCXVKIK-HXUWFJFHSA-N 373.460 4.247 30 40 FIEB N#CCOc1ccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc1 409349073 QOTLGTZUZQOTNF-MHWRWJLKSA-N 370.430 4.134 30 40 FIEB N#Cc1cc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccc1F 575243134 LNGVBBPXJLJDAM-UHFFFAOYSA-N 367.142 4.348 30 40 FIEB COCCN1C(=O)/C(=C\c2ccc(C)s2)S/C1=N\c1ccccc1 2141967 OJDAOFFGGUBDHR-BOXNHUFISA-N 358.488 4.307 30 40 FIEB CCCOc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1OCC 6386764 YOAARWXKMZZEEE-XSFVSMFZSA-N 357.479 4.195 30 40 FIEB COc1ccccc1C(=O)/C=C/c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 6715397 NDKTXALMXZSVSV-ZRDIBKRKSA-N 366.417 4.490 30 40 FIEB C=CCSc1nc(-c2ccccc2)[nH]c1S(=O)(=O)c1ccc(C)cc1 12650193 XMCXGOXGFGPZAR-UHFFFAOYSA-N 370.499 4.496 30 40 FIEB C/C(=N/OC(=O)c1c(-c2ccccc2Cl)noc1C)c1ccncc1 13389612 DYXGYUKHSBMBCB-NHDPSOOVSA-N 355.781 4.279 30 40 FIEB CC(=O)[C@H]1[C@H](c2cccc(Cl)c2)C(C#N)(C#N)[C@@H]2c3ccccc3C=CN21 35366051 BOSYLVLSCRTKPW-ACRUOGEOSA-N 373.843 4.456 30 40 FIEB Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)N(C(C)C)C(C)C)n1 39525126 ZGGQQMKXGCNASU-GFCCVEGCSA-N 373.444 4.407 30 40 FIEB CCCCCCCCCCCCOC(=O)N[C@@]1(C)CCS(=O)(=O)C1 59568675 OMGBYUSWXMKRCJ-SFHVURJKSA-N 361.548 4.211 30 40 FIEB Cc1ccc(/N=C2\C(=O)N(CN3CCC[C@@H](C)C3)c3ccccc32)cc1C 226757223 SWIJQIWLIYQYSS-RNKPHZFSSA-N 361.489 4.460 30 40 FIEB C=CCN1C(=O)S/C(=C/c2cc(OCC)c(OCC)cc2Cl)C1=O 409107351 RBJPHSLAOHQDSI-OQLLNIDSSA-N 367.854 4.360 30 40 FIEB Cc1cc(N2CCCC2)ccc1/C=N/Nc1ccc(Cl)c(C(=O)O)c1 4677999 UJAWNATWPPYNIY-CIAFOILYSA-N 357.841 4.393 30 40 FIEB O=C(/C=C1\NCCc2cc3c(cc21)OCO3)c1ccc(-c2ccccc2)cc1 5428539 AJVYQIHLOBPCSO-STZFKDTASA-N 369.420 4.452 30 40 FIEB CC(C)CCOc1ccc(CN2C(=O)/C(=N\O)c3ccc(Cl)cc32)cc1 46084652 BAQNZFUWHANRCY-QOCHGBHMSA-N 372.852 4.490 30 40 FIEB Cc1ccc(N(CCC#N)C(=O)CN2CCC[C@H]2c2ccsc2)cc1 46089340 GTOGZPLPWGECAE-IBGZPJMESA-N 353.491 4.140 30 40 FIEB Cc1cc(C(=O)[C@H](C#N)c2nc3ccccc3o2)c(C)n1Cc1ccco1 54734628 PBFMMQDMEZUTQD-KRWDZBQOSA-N 359.385 4.378 30 40 FIEB C#CCOC(=O)c1ccc2oc(-c3ccc(Br)cc3)nc2c1 73634080 KOBDLYCVNNLGJS-UHFFFAOYSA-N 356.175 4.047 30 40 FIEB CC(CC/C(=N/O)c1ccccc1)(CC/C(=N\O)c1ccccc1)[N+](=O)[O-] 104252928 SJOBLYMBGXOYQZ-JXDXAWHESA-N 369.421 4.339 30 40 FIEB N#CCc1ccc(NC(=S)NCc2ccc(N3CCCCC3)cc2)cc1 225416393 WRQZFDJGSVOEFW-UHFFFAOYSA-N 364.518 4.230 30 40 FIEB Cc1cc(N2CCCCC2)ccc1/C=N/OCc1cccc([N+](=O)[O-])c1 408593051 OMJASXNBFSBNFC-KGENOOAVSA-N 353.422 4.444 30 40 FIEB C=CCc1cc(/C=N\c2cc([N+](=O)[O-])ccc2OC)cc(OCC)c1O 408807238 CNNQUHIGNBRQLD-NDENLUEZSA-N 356.378 4.187 30 40 FIEB C=CCc1cc(/C=N\c2ccc(C)cc2C)cc(OC)c1OCC(=O)O 408858591 UGRSJBDSZIJJCG-UUYOSTAYSA-N 353.418 4.255 30 40 FIEB O=[N+]([O-])c1ccc(/C=N/c2ccc(/N=C/c3ccc([N+](=O)[O-])o3)cc2)o1 3077508 QNRMMUFARMUSCJ-BEQMOXJMSA-N 354.278 4.190 30 40 FIEB CCCCNC(=S)N(C)/N=C/c1ccc(OCc2ccccc2)cc1 3309408 YMGXDMKJOOOYMY-PXLXIMEGSA-N 355.507 4.206 30 40 FIEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H]5O[C@@]5([C@H](C)O)[C@@]4(C)CC[C@@H]32)C1 4104865 MZXOXBBZTDJDKI-KRZOGSEKSA-N 374.521 4.009 30 40 FIEB biogenic,in-vitro COc1ccc(-n2c(C)cc(-c3csc(/N=C/N(C)C)n3)c2C)cc1 6821259 RVUHAPGKYJAVSP-UDWIEESQSA-N 354.479 4.448 30 40 FIEB Cc1cccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c1 6860280 BILRBWSRBJSABJ-GFCCVEGCSA-N 369.515 4.180 30 40 FIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2)cc1 13208045 MSVAAEUGSWPWAL-FQEVSTJZSA-N 373.408 4.367 30 40 FIEB Cc1cc(O)c(CN2CCCC[C@H]2C)c2c1C(=O)/C(=C/c1ccncc1)O2 20573683 WABAKMRZAIJNGU-VUFYJBQKSA-N 364.445 4.086 30 40 FIEB COc1ccccc1/C=C\C=N/n1c(S)nnc1-c1ccc(C)cc1 28352151 LOFDWLBWXYICSC-YIGIGMNBSA-N 350.447 4.098 30 40 FIEB CC(=O)Nc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3onc(C)c32)cc1 33321063 HRQUKZAJESZVSG-GOSISDBHSA-N 365.433 4.142 30 40 FIEB COc1ccc([C@@H]2C(C(=O)OC(C)(C)C)=C(C)NC3=C2C(=O)CCC3)cc1 66088816 SEDORBIXNKZXBD-LJQANCHMSA-N 369.461 4.005 30 40 FIEB CN(C)/C=C1\CN=C(c2c(F)cccc2F)c2cc(Cl)ccc2C1=O 95936536 ADRUNBZCGFRJEL-ZHACJKMWSA-N 360.791 4.097 30 40 FIEB C=CCO/N=C(\C)c1c(O)cc(-c2ccccc2)n(-c2ccccc2)c1=O 100292858 RETLYVZCTPFEQX-XQNSMLJCSA-N 360.413 4.137 30 40 FIEB O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1ccncc1 409285959 YHONLNWZBOBCAB-UHFFFAOYSA-N 366.380 4.087 30 40 FIEB CCOC(=O)c1sc(NC(=O)CSc2ccc(C)cc2)c(C#N)c1C 1932252 HEPKEBNDSHQNMF-UHFFFAOYSA-N 374.487 4.144 30 40 FIEB C=CCSc1nc2ccccc2n1CC(=O)Nc1ccc(N(C)C)cc1 3321610 FCRVCQLISJHPBK-UHFFFAOYSA-N 366.490 4.019 30 40 FIEB C=CCn1c([C@H]2CC(=O)N(c3cccc(Cl)c3)C2)nc2ccccc21 4385034 QVYOOQGUVUOTBG-AWEZNQCLSA-N 351.837 4.396 30 40 FIEB N#Cc1ccc(/C=C/C(=O)c2ccc(I)cc2)cc1 5156286 DPLBVFRLHFTLPI-BJMVGYQFSA-N 359.166 4.059 30 40 FIEB CCn1c(Cc2ccccc2)nnc1S[C@H](C#N)Cc1ccc(C)cc1 6586788 ATJZVEMRNJMXBJ-IBGZPJMESA-N 362.502 4.424 30 40 FIEB C=CCn1nnnc1NCc1ccc(-c2cc(Cl)cc(Cl)c2)o1 6856433 LIKLNZPAAQQBHF-UHFFFAOYSA-N 350.209 4.038 30 40 FIEB C=CCOc1ccccc1/C=C1\S/C(=N\c2ccc(OC)cc2)NC1=O 7275671 LNWWVKDZZZHYQA-AQTBWJFISA-N 366.442 4.152 30 40 FIEB CCc1ccc(/C=C2\Oc3c(ccc(O)c3CN(CC)CC)C2=O)cc1 8990603 VQCZWRWJGKXEIE-MOSHPQCFSA-N 351.446 4.413 30 40 FIEB C=CCn1c(C)c(/C=N\Nc2nc(C)cc(COC)c2C#N)c2ccccc21 16267711 UXMWNCHYBPMQBX-CFRMEGHHSA-N 373.460 4.303 30 40 FIEB N#CC1(C(=O)N2Cc3cc(-c4ccc(F)cc4)ccc3[C@H]2c2cnco2)CC1 96094769 HAPYNGTVCALABX-FQEVSTJZSA-N 373.387 4.216 30 40 FIEB C/C(=N\c1ccc(C)cc1)c1c(C)nn(-c2ccc([N+](=O)[O-])cc2)c1O 104092814 ZZITUKUMJMCRMN-DEDYPNTBSA-N 350.378 4.244 30 40 FIEB C=CCN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(Cl)cc1 224708601 UCIKFXQHLJBOJV-UHFFFAOYSA-N 351.855 4.038 30 40 FIEB COc1cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)ccc1OCC#N 408743804 VIQXXUMCMLYYPW-XNTDXEJSSA-N 367.788 4.232 30 40 FIEB Cc1ccc(C(=O)O)c2c1N[C@H](c1ccc(OCC#N)cc1)[C@H]1CC=C[C@@H]21 409163869 YXLYFRWTGOJDFH-LLGFUMIMSA-N 360.413 4.422 30 40 FIEB O=C(COc1c(Cl)cc(/C=N/O)cc1Cl)Nc1ccc(Cl)cc1 409218556 FYQWUOFLTUHMOW-FBCYGCLPSA-N 373.623 4.472 30 40 FIEB COc1ccc2c(c1)c(C(=O)N(CC#N)C1CC1)c(C)n2Cc1ccccc1 523089775 GTAWRLSTOSUZAU-UHFFFAOYSA-N 373.456 4.135 30 40 FIEB N#Cc1nc([C@H]2C[C@H]2c2ccc(F)cc2)oc1NCCOc1ccccc1 1775977522 ZHSXSGVEVGXMFD-ROUUACIJSA-N 363.392 4.447 30 40 FIEB CC(C)(C)c1ccc(-c2nnc(SCc3ccccc3C#N)n2N)cc1 3529239 QIBSPVTYDYNNMB-UHFFFAOYSA-N 363.490 4.120 30 40 FIEB C/C(C/C(C)=N/Nc1ccccc1[N+](=O)[O-])=N\Nc1ccccc1[N+](=O)[O-] 4520277 IGNJFVSTTNBUPM-KLCVKJMQSA-N 370.369 4.169 30 40 FIEB O=C1/C(=C/c2ccncc2)Oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc21 5186527 QMGJDYSAPSVMSQ-JAIQZWGSSA-N 374.352 4.185 30 40 FIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccnc2)cc1 8715712 WWMATYMRTUDVMU-HXUWFJFHSA-N 370.408 4.173 30 40 FIEB Cc1[nH]c2ccccc2c1[C@H](O)CN1CCC(C#N)(c2ccccc2)CC1 13998276 NBAIFTOLQMTALV-OAQYLSRUSA-N 359.473 4.067 30 40 FIEB O=C(/C=C/c1cc2ccccc2nc1N1CCOCC1)c1cccs1 14196992 LZDAYSLWLGCRAB-BQYQJAHWSA-N 350.443 4.029 30 40 FIEB C/C(=N\C1CC1)c1c(-c2ccccc2)[nH]n(-c2nc3ccccc3s2)c1=O 18324666 RJWIKMXFMCOOGB-LPYMAVHISA-N 374.469 4.414 30 40 FIEB C=CCN(c1ccccc1OCC)S(=O)(=O)c1ccc(SC)cc1 224976547 MBQGXIGZUYYJJA-UHFFFAOYSA-N 363.504 4.189 30 40 FIEB C=CCN1C(=O)S/C(=C\c2ccc(-c3ccc(C(=O)O)cc3C)o2)C1=O 408961818 ODULWHYVKLELEO-YBEGLDIGSA-N 369.398 4.176 30 40 FIEB C=CCCN1C(=O)N(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc21 1889102671 JUCSWWVGKRAXIJ-UHFFFAOYSA-N 356.447 4.015 30 40 FIEB COc1ccc(C(=O)/C=C/c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 5637569 IATZGLBUOXKMDX-WUXMJOGZSA-N 366.417 4.490 30 40 FIEB CCNC(=S)N/N=C/c1cc(C)n(-c2cccc(Cl)c2Cl)c1C 6711502 RNKDTEHUWLHVHP-AWQFTUOYSA-N 369.321 4.219 30 40 FIEB O=C1C[C@H](c2ccc(F)cc2F)C2=C(C[C@H](c3cccs3)CC2=O)N1 6820439 FZHDZRCFOVCQPU-GXFFZTMASA-N 359.397 4.031 30 40 FIEB Cc1sc(NC(=O)Cc2csc(Cc3ccccc3)n2)c(C#N)c1C 33150888 YQPFFRNGMBZALV-UHFFFAOYSA-N 367.499 4.465 30 40 FIEB S=C(N/N=C\c1ccc(Cl)cc1Cl)N[C@@H]1CCc2ccccc21 34846762 YCUYOCUDFQGWHL-HSGPEQJXSA-N 364.301 4.479 30 40 FIEB O=C1N/C(=N/c2ccc3ccccc3c2)S/C1=C/c1ccc(C(=O)O)cc1 35647177 VCUADTZLZVIBJJ-WOJGMQOQSA-N 374.421 4.430 30 40 FIEB N#Cc1ccc(S(=O)(=O)N(Cc2ccco2)c2ccccc2)cc1Cl 48333666 JMPKGJFUNPDAPM-UHFFFAOYSA-N 372.833 4.200 30 40 FIEB CC1(C)CC2=NC(=S)[C@@H](C#N)[C@H](c3ccc([N+](=O)[O-])cc3)C2=C(O)C1 4844155 VGWAAZWZWIXQIV-WFASDCNBSA-N 355.419 4.232 30 40 FIEB CC[C@H]1S/C(=N/N=C/c2ccccc2)N(Cc2ccc(F)cc2)C1=O 4901582 HRXBFBYTBLGFIV-AANLGRHESA-N 355.438 4.070 30 40 FIEB CC1=C[C@H](C)[C@H](/C=N/n2cnc3c([nH]c4ccc(F)cc43)c2=O)[C@H](C)C1 5277610 PNOVVDRHHMKFHS-IYWJKYABSA-N 352.413 4.089 30 40 FIEB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(F)(F)C(F)(F)C(F)(F)F 5670886 VNERFZDVZULDAD-UHFFFAOYSA-N 368.592 4.020 30 40 FIEB C=CCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2[C@@H]1c1ccccc1F 6743361 HOZYLGPZCDKFGA-IBGZPJMESA-N 363.388 4.280 30 40 FIEB Cc1noc2nc(-c3ccccc3F)cc(C(=O)Nc3cccc(C#N)c3)c12 11247856 FSGMHUVBOCFXKX-UHFFFAOYSA-N 372.359 4.461 30 40 FIEB Cc1cc2ccccn2c1/C(=N/S(=O)(=O)c1ccccc1)c1ccccc1 12559199 PLNHEQHZBSIGBK-XTQSDGFTSA-N 374.465 4.474 30 40 FIEB C[C@@H](Nc1ccc(F)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 12993927 LXPSMKJNHVSPHR-GFCCVEGCSA-N 357.454 4.467 30 40 FIEB N#Cc1ccc(OCC(=O)Nc2cccc(C#Cc3cccs3)c2)cc1 32905243 AMOFCOOWNXRWLX-UHFFFAOYSA-N 358.422 4.037 30 40 FIEB COc1ccc([C@H]2C[C@@]2(C#N)c2nc3ccccc3[nH]2)cc1OC(F)F 67172438 BFTABJNOIXSNJQ-BLVKFPJESA-N 355.344 4.122 30 40 FIEB N#Cc1c(N)nc(SCc2ccccc2)nc1Cc1ccccc1Cl 223666294 VAINYGASLDVCGG-UHFFFAOYSA-N 366.877 4.467 30 40 FIEB C=CCOc1ccc(NC(=S)NCCCc2ccccc2OC)cc1 225551365 IFNJGNQUAANBCZ-UHFFFAOYSA-N 356.491 4.179 30 40 FIEB CC/N=C1/S/C(=C/c2c(OC)ccc3ccc(OC)cc23)C(=O)N1CC 408930665 AJIXVAHTWFNQBY-LLPDMMGZSA-N 370.474 4.169 30 40 FIEB Cc1cc(Br)ccc1/N=C\c1ccc(N2CCOCC2)cc1 409101550 YYHZNHKFRMLYEZ-MOSHPQCFSA-N 359.267 4.345 30 40 FIEB COc1ccc2c(c1)O[C@@H](C)C/C2=N/OC(=O)c1ccc(C)c(Cl)c1 409201048 UQZLODVYXMNFOL-FRMRLDDKSA-N 359.809 4.389 30 40 FIEB CC[C@H]1CCc2c(sc(NC(=O)c3cc(OC)cc(OC)c3)c2C#N)C1 994756 KDNBJJFZOPJVTD-LBPRGKRZSA-N 370.474 4.404 30 40 FIEB N#Cc1ccc(NC(=O)COC(=O)c2cccc3ccccc23)cc1Cl 6886608 NZBFTJBASPPUFP-UHFFFAOYSA-N 364.788 4.160 30 40 FIEB CCOc1ccc(N(CCC#N)C(=O)CN(C)[C@@H](C)c2cccs2)cc1 10207389 PQSKKWVIKNODGP-INIZCTEOSA-N 371.506 4.086 30 40 FIEB CCOc1ccc(/C=C2/S/C(=N/c3ccccc3Cl)NC2=O)c(O)c1 16689320 CZUOIASXDCXGKB-CXUHLZMHSA-N 374.849 4.336 30 40 FIEB O=C1/C(=C\c2ccccc2)CN(C(=O)C(F)(F)F)C/C1=C/c1ccccc1 16953464 QAGJOBCHMKIKSL-WHYMJUELSA-N 371.358 4.127 30 40 FIEB N#Cc1nc(/C=C/c2ccccc2)oc1N1CCN(Cc2ccccc2)CC1 57334279 PKTNQRPHEXGLRQ-VAWYXSNFSA-N 370.456 4.039 30 40 FIEB N#CCCn1cc(/C=C/C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)c2ccccc21 95381759 YHHOBJGNFQENHQ-FUCIWNSQSA-N 373.431 4.380 30 40 FIEB N#Cc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21 408761668 KNYATSANNHEAGA-RYRKJORJSA-N 362.345 4.201 30 40 FIEB Cn1cccc1/C=C1\SC(=Nc2ccccc2)N(Cc2ccco2)C1=O 409102158 YFPILZRTVPTCMH-JEFZPDFESA-N 363.442 4.422 30 40 FIEB Cc1ccc2nc(SCC(=O)N[C@H]3CCCC[C@@H]3C)c(C#N)cc2c1 1222324 OBYDIAGTKPXSAJ-YOEHRIQHSA-N 353.491 4.202 30 40 FIEB C=CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1ccccc1 2446657 WQTVMNGQVBJWJF-UHFFFAOYSA-N 364.474 4.170 30 40 FIEB C[C@H](Sc1ccc(Br)cc1)C(=O)Nc1ccc(C#N)cc1 3342252 ZPRGUYXTGVHHCX-NSHDSACASA-N 361.264 4.440 30 40 FIEB CCO[C@H]1Oc2ccc(Cl)cc2C(=O)/C1=C/Nc1cccc([N+](=O)[O-])c1 6026580 WSDFLYSMGZZXOL-BXBOZWQASA-N 374.780 4.182 30 40 FIEB CCNC(=S)N/N=C/c1ccccc1OCc1ccc2ccccc2c1 6594462 RXTNBSBURJTYOH-OEAKJJBVSA-N 363.486 4.237 30 40 FIEB CC1=CC(C)(C)N2C(=O)/C(=N/c3ccc4c(c3)OCCO4)c3cc(C)cc1c32 12406262 SIFUSBAHGPJGGT-HIXSDJFHSA-N 374.440 4.429 30 40 FIEB N#C[C@H]1C(=O)Nc2nc3ccccc3n2[C@H]1c1ccc(Cl)cc1Cl 20637924 XMLITCKZAZIILF-ABAIWWIYSA-N 357.200 4.024 30 40 FIEB O=[N+]([O-])c1ccc(N/N=C\c2ccc(OCc3ccccc3F)cc2)nc1 33739226 IYTRKSMCFLXLES-JJFYIABZSA-N 366.352 4.154 30 40 FIEB CSc1nc(O)c2c(n1)NC1=C(C(=O)c3ccccc31)[C@H]2c1ccccc1 40382573 DJGSBWHBQCNESO-CQSZACIVSA-N 373.437 4.069 30 40 FIEB Cc1cccc(N2C(=O)/C(=C\c3ccc(OCC#N)cc3)SC2=S)c1 54498884 HUXOBFMPQQKOHU-SFQUDFHCSA-N 366.467 4.303 30 40 FIEB Cc1ccc(NC(=O)Cn2cc(C#N)c3cc(Br)ccc32)cc1 59109369 YMVFXOWKVAAYKV-UHFFFAOYSA-N 368.234 4.223 30 40 FIEB C[C@@H](C#N)N(c1ccccc1)S(=O)(=O)c1cc(Cl)sc1Cl 95961689 AXQPZYAIZYXCMR-VIFPVBQESA-N 361.275 4.162 30 40 FIEB Cc1cc(Oc2ccc(C(=O)N(C)C)cc2)n2c(nc3ccccc32)c1C#N 97474502 ITPZRJBXLGQGDY-UHFFFAOYSA-N 370.412 4.162 30 40 FIEB N#CCCCCN1CCc2cc(Br)c(Br)cc2C1 595851921 XBFCHSWKCHMXGV-UHFFFAOYSA-N 372.104 4.264 30 40 FIEB COc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c(OC)c1 5529390 BNNCOMGNGCQMFM-NSHDSACASA-N 356.447 4.014 30 40 FIEB COc1ccccc1CN/N=C/c1ccc(OCc2ccccc2C#N)cc1 20761346 ZVZXRKSYZMHODH-MFKUBSTISA-N 371.440 4.270 30 40 FIEB O=C(/C=C/c1ccc(OCc2cscn2)cc1)c1ccc2c(c1)OCO2 25062296 GQVDEHREABQTMK-XVNBXDOJSA-N 365.410 4.347 30 40 FIEB COc1ccc(CC(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1 32291953 NBWQZQRDIBNUFZ-UHFFFAOYSA-N 372.424 4.327 30 40 FIEB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C(C)=O)CC[C@H]4[C@@H]3C[C@H]3O[C@]32C1 38622763 JRCRFBRVIWOWLF-CPVQPEJWSA-N 374.521 4.297 30 40 FIEB COc1ccc(I)c(/C=N\C2CCCCC2)c1C 104218162 CVCNAWUXFANGIJ-YVLHZVERSA-N 357.235 4.360 30 40 FIEB C=CCC(C(=O)NCCN(CC)CC)(c1ccccc1)c1ccccc1 1608634 IDDHJZYVCIJWGP-UHFFFAOYSA-N 350.506 4.007 30 40 FIEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1 2776331 MXAJUUBHNJNLPU-LJQANCHMSA-N 353.462 4.244 30 40 FIEB C#C[C@]1(O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@H](CCC45OCCO5)[C@@H]3CC[C@@H]2C1 3849617 VCQVEQNCPAVVLX-QAHMESRPSA-N 358.522 4.137 30 40 FIEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(N(C)C)cc3)S2)c(C)c1 11640045 XGOAAXPXLZSZRG-PDGQHHTCSA-N 351.475 4.261 30 40 FIEB CSc1nc(-c2cccs2)nc(C)c1C(=O)Nc1cccc(C#N)c1 12818690 UTCOZOKGLSPPBJ-UHFFFAOYSA-N 366.471 4.359 30 40 FIEB O=C1/C(=C/c2cccnc2)Oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc21 13228236 YKDHRSVYCDXJIT-JMIUGGIZSA-N 374.352 4.185 30 40 FIEB CCOc1c(/C=C2/S/C(=N\c3ccccc3)N(C)C2=O)cccc1OC 101509167 XMNUTFIDJPVZCJ-NBEBQTRCSA-N 368.458 4.328 30 40 FIEB CC(C)N1C(=O)/C(=C\c2ccc([N+](=O)[O-])o2)S/C1=N\c1ccccc1 408907035 LDQWCIKHAOAMBO-IBZGOXDYSA-N 357.391 4.200 30 40 FIEB CCOc1ccccc1[C@H]1C2=C(CCCC2=O)NC2=C1C(=O)c1ccccc12 4702773 FVSCKHNFIKDEFF-FQEVSTJZSA-N 371.436 4.387 30 40 FIEB C/C(=N\NC(=S)Nc1ccc(C)cc1)c1cccc(Br)c1 4871916 MPSGHPHXRSUDMR-XDHOZWIPSA-N 362.296 4.468 30 40 FIEB COc1cccc(/C=C2\S/C(=N/c3ccc(O)cc3)N=C2O)c1OC 6848470 FPKUMOOBLZSRMN-GDNBJRDFSA-N 356.403 4.141 30 40 FIEB O=C(/C(=C/c1ccc(O)cc1)c1nc2ccccc2[nH]c1=O)c1ccccc1 7135164 IQUWPYXNOUJIPV-NBVRZTHBSA-N 368.392 4.052 30 40 FIEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3ccc(C)cc3)c2)c1 13012972 WHDGRXJHUQCHOA-UHFFFAOYSA-N 369.420 4.434 30 40 FIEB C=C(C)CNC(=S)N(C)c1ccc(Cl)cc1C(=O)c1ccccc1 16138578 KMABAFHFLYFESL-UHFFFAOYSA-N 358.894 4.458 30 40 FIEB O=C1C=C(O/C=C/C(C(F)(F)F)C(F)(F)F)c2ccccc2C1=O 16951477 KGFWBIDIZPBMFG-AATRIKPKSA-N 350.214 4.064 30 40 FIEB CCSc1nc2n(n1)[C@H](c1cccc(Cl)c1)C1=C(C[C@H](C)CC1=O)N2 22608531 PEJSUKLRKQHZPS-MGPLVRAMSA-N 374.897 4.312 30 40 FIEB CCCN(Cc1nnc(-c2cccs2)o1)Cc1ccc(C#N)cc1F 48309656 WSZSLWPJRIXHSG-UHFFFAOYSA-N 356.426 4.221 30 40 FIEB N#C[C@H](C(=O)c1cc(-c2ccccc2Cl)on1)c1nc2ccccc2[nH]1 48813206 RCLWMYLGMZARSG-GFCCVEGCSA-N 362.776 4.361 30 40 FIEB C=CCOc1ccc(C(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1 224638984 DCCNGRZPKCUMOT-UHFFFAOYSA-N 353.462 4.358 30 40 FIEB O/N=C1\CCC=CCCC=CCC[C@@H]1Sc1nnnn1-c1ccccc1 1559624570 TWXXYOHCSZHWHQ-KEYYHTBMSA-N 369.494 4.420 30 40 FIEB CCCCN1C(=S)SC(C)(C)[C@H]1/[N+]([O-])=C/c1c[nH]c2ccccc12 2267626 XEUFIGNGXWJDPF-YQODDJSKSA-N 361.536 4.336 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(C)cc2)C[C@H]1c1cccc(F)c1 4920013 TWYZRYFQAAGRHT-PZJWPPBQSA-N 352.405 4.453 30 40 FIEB C=CCSc1nnc(NC(=O)COc2cc(C)ccc2C(C)C)s1 6790204 WSXIORSHBUUIFF-UHFFFAOYSA-N 363.508 4.266 30 40 FIEB Cc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1ccc(F)cc1 9318592 QFWQONAGRASPHP-BTYIYWSLSA-N 374.419 4.141 30 40 FIEB CCO/N=C(/C)c1c(O)c(C)c(-c2ccccc2)n(-c2ccccc2)c1=O 13122219 JELBDDXUKFNALO-KQWNVCNZSA-N 362.429 4.279 30 40 FIEB N#Cc1cccc(OCC(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)c1 44848255 LDESSXNGVORBSJ-UHFFFAOYSA-N 374.425 4.181 30 40 FIEB COc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1OC 655513 ILWRZUAAMOIFRS-LLVKDONJSA-N 356.447 4.014 30 40 FIEB COc1ccccc1/C=N/c1ccc(NC(=O)c2ccco2)c(OC)c1 681005 BCABIVMXSFWQSO-FYJGNVAPSA-N 350.374 4.300 30 40 FIEB O=c1c2[nH]c3ccccc3c2ncn1/N=C/c1ccc(Cl)cc1Cl 2268297 KOPLJFBRFJZMEN-ODCIPOBUSA-N 357.200 4.067 30 40 FIEB O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1C1(CCCCC1)n1ncnc1N2 6225763 OPQAOOYBOHVLKC-CQSZACIVSA-N 368.868 4.417 30 40 FIEB CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OC(F)F 7743805 TWJONKBXAPKHPC-ZZXKWVIFSA-N 362.328 4.312 30 40 FIEB COc1ccc(Br)cc1/C=C/C(=O)c1ccc(OCC#N)cc1 13137390 ZSYBELIMHTUZJL-XBXARRHUSA-N 372.218 4.256 30 40 FIEB Cc1csc([C@@H](C#N)C(=O)CCC(=O)c2ccc3c(c2)CCCC3)n1 40089617 HNLSFXAZUWWZEG-KRWDZBQOSA-N 352.459 4.170 30 40 FIEB C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(=O)c2ccccc2o1 65453411 HIGYARYENLDYAF-CYBMUJFWSA-N 364.426 4.297 30 40 FIEB CCCCCCCCCCCC(=O)O[C@H](C)C(=O)O[C@@H](C)C(=O)OCC 104048994 MZYZWWSOBOROCS-DLBZAZTESA-N 372.502 4.334 30 40 FIEB Cc1cc2cc(C#N)c(SCC(=O)N3CCCCCC3)nc2cc1C 1354510 YIQCCFKRTAKFKP-UHFFFAOYSA-N 353.491 4.218 30 40 FIEB Cc1ccc(C)c(OCC(=O)Nc2sc(=S)c3c(c2C#N)CCC3)c1 1522196 GFDVCOZQTACYNN-UHFFFAOYSA-N 370.499 4.472 30 40 FIEB CCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(CC)cc1)C2=O 2425353 MNJODDHQOCXLOW-GQFJFNLSSA-N 366.413 4.196 30 40 FIEB NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1c1ccccc1Cl 5660666 AGUFOTUHMOHJQS-UHFFFAOYSA-N 367.861 4.180 30 40 FIEB COc1ccc(OC)c(/C=C2/S/C(=N\c3ccc(C)cc3C)NC2=O)c1 16661553 OQXUPAWRUKVNQL-WOJGMQOQSA-N 368.458 4.212 30 40 FIEB N#CCOc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)cc1 18828959 GIKAUVMDMRWPDR-UHFFFAOYSA-N 362.429 4.069 30 40 FIEB CCOc1ccc(/C=N\OCC(=O)Nc2ccc(C)c(C)c2)cc1OCC 33689309 NWKLEMHJPORJDR-XKZIYDEJSA-N 370.449 4.090 30 40 FIEB O/C(=N\c1nc(-c2ccccn2)n[nH]1)c1ccc(Oc2ccccc2)cc1 47343311 VRPYVJUSDBFNDV-UHFFFAOYSA-N 357.373 4.295 30 40 FIEB N#CCCN(CC1CCC1)c1cc(C(F)(F)F)nc(-c2ccccn2)n1 84613298 IVAQDNMYOGOAGH-UHFFFAOYSA-N 361.371 4.078 30 40 FIEB Cc1ccc([C@@H]2C3=C(C[C@H](c4ccc(F)cc4)CC3=O)Nc3ncnn32)cc1 4814168 FHWOGXHJJVRSGD-HRAATJIYSA-N 374.419 4.141 30 40 FIEB COc1ccccc1/C=C1\Oc2cc(OC(=O)C(C)(C)C)ccc2C1=O 9134359 RSLNRTFFCUVSNK-WQRHYEAKSA-N 352.386 4.263 30 40 FIEB biogenic CC1=C(NC(=O)C2(c3ccccc3)CCCC2)C(=O)[C@H](c2ccccc2)N1C 17076653 ZJSMTWHZOXSARN-NRFANRHFSA-N 374.484 4.102 30 40 FIEB N/C(S)=N\N=C\c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 82375304 NPXJXAORGNEKGB-UFWORHAWSA-N 354.262 4.151 30 40 FIEB CC(C)Cc1n[nH]c(/N=C(\O)[C@H](C)c2ccc(C[C@H]3CCCC3=O)cc2)n1 95479635 HEZJWYLPZNHZIZ-RHSMWYFYSA-N 368.481 4.307 30 40 FIEB FC(F)(F)C(F)(F)[C@](F)(/C=C/I)C(F)(F)F 95682083 JLNNSBACHLCUOY-SFQFIYLQSA-N 371.968 4.403 30 40 FIEB C#C[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4CC5(CC[C@]4(C)[C@@H]3CC[C@@]21C)OCCO5 253617371 JMZAXRXHLIIAGA-UNHJQWNMSA-N 358.522 4.137 30 40 FIEB N#Cc1ccc(C(=O)NCc2ccc(-c3nc4ccccc4o3)cc2)c(F)c1 408627161 KVKRSUFDFFDNMJ-UHFFFAOYSA-N 371.371 4.436 30 40 FIEB Cc1cc(/N=C\c2cc(C)n(C)c2C)ccc1I 408771591 JMXWQEGCHXZCEE-MFOYZWKCSA-N 352.219 4.306 30 40 FIEB C=CCN1C(=O)C2=C(N[C@@H]1SCC)c1ccccc1CC21CCCC1 2216362 DDPVSMYZBAUXEE-FQEVSTJZSA-N 354.519 4.169 30 40 FIEB COc1ccccc1/C=N/Nc1nc(C)nc2sc3c(c12)CCCC3 4154835 NUUWJRQJSCTUGI-RGVLZGJSSA-N 352.463 4.333 30 40 FIEB CN(C)/N=C/c1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1 4306863 AZYDPISRACXSAX-BDPZUMOYSA-N 357.251 4.241 30 40 FIEB C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cccc(F)c3)cc21 8959568 IYICHLXBIPSDGE-UHFFFAOYSA-N 368.408 4.016 30 40 FIEB CCc1ccc(-c2cc(-c3cc(OC)ccc3OC)nc(N)c2C#N)cc1 19879656 IPCAVOHSYUXMMS-UHFFFAOYSA-N 359.429 4.449 30 40 FIEB Cc1nnc(N(C)CCCCCc2cc(-c3ccccc3)n[nH]2)c(C#N)c1C 40149282 LFOIFIYTRIFILU-UHFFFAOYSA-N 374.492 4.204 30 40 FIEB CCOC(=O)COc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N 1033691 PZNJITRXQKRPFY-UHFFFAOYSA-N 358.397 4.229 30 40 FIEB COC(=O)c1ccc(/C=C/C(=O)c2ccc(C#N)cc2)n1-c1ccc(F)cc1 5393826 YAPVGZKDSXSISB-ACCUITESSA-N 374.371 4.171 30 40 FIEB CC1=NN(c2ccccc2)C(=O)[C@H]1[C@@H](c1ccc(Cl)cc1)C(C#N)C#N 5482651 WJSYTJVVSMPQNC-MOPGFXCFSA-N 362.820 4.126 30 40 FIEB C=CCOc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 30940549 HOJMRDDPUPFGCS-SFHVURJKSA-N 368.452 4.241 30 40 FIEB CC(C)=CCc1cc(C(=O)O)cc(CC[C@H](C)C(=O)/C=C/C(C)(C)O)c1O 49181017 LQMRAHHWCLZHQD-NKSUMMKUSA-N 374.477 4.064 30 40 FIEB biogenic,in-vitro CCOc1cc(/C=N\O)cc(Cl)c1OC(=O)c1cccc(Cl)c1 216781685 JAADAFUMOWDXKJ-OCKHKDLRSA-N 354.189 4.419 30 40 FIEB CCCOc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1C#N 225769689 CDBQANDUZNFBSU-UHFFFAOYSA-N 364.445 4.034 30 40 FIEB CC(C)Oc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)c(C#N)c1 225769860 QIRBETJGHOJQDO-UHFFFAOYSA-N 364.445 4.032 30 40 FIEB O=C(/N=C1/c2ccccc2CN1CC(=O)c1cccs1)c1ccccc1 226822721 GWAHNVRWAUNKFT-XDOYNYLZSA-N 360.438 4.034 30 40 FIEB N#Cc1c(N)n(Cc2ccccc2C(F)(F)F)c2nc3ccccc3nc12 2337123 UTJXRBARYPLXFF-UHFFFAOYSA-N 367.334 4.105 30 40 FIEB C=CCn1c(SCC(=O)Nc2cccnc2Cl)nc2ccccc21 4492755 XJHXXDLHUBXMKN-UHFFFAOYSA-N 358.854 4.002 30 40 FIEB COc1ccc(/C=N/Nc2cc(C)nc3ccc(OC)cc23)c(OC)c1 5007002 LEHNGCPHFSETMC-CIAFOILYSA-N 351.406 4.015 30 40 FIEB Cc1sc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)c(C#N)c1-c1ccccc1 5175472 JEISVYDKXAUSCZ-GJZGRUSLSA-N 366.442 4.201 30 40 FIEB O=C(O)COc1ccc2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 5306602 IEAMNWJCPUEKFL-UUASQNMZSA-N 365.168 4.073 30 40 FIEB Cc1ccc(N/N=C/c2ccccc2OCC(=O)Nc2ccccc2)cc1 5751364 NBQXDTAHBHQIFS-HZHRSRAPSA-N 359.429 4.459 30 40 FIEB COc1cc(/N=C/c2ccc3c(c2)OCO3)ccc1NC(=O)c1ccco1 6580655 BEQQURGFBLWWAT-SRZZPIQSSA-N 364.357 4.020 30 40 FIEB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nc(C)cc(C)c2C#N)c1C 7371394 LVDWIRWSOQLNSO-CQSZACIVSA-N 355.463 4.081 30 40 FIEB C=CCNc1nnc(S[C@@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)s1 11526759 XUUPFMVZYREQLR-IWERZKIRSA-N 363.552 4.402 30 40 FIEB Cc1ccc(/N=C2\C(=O)N(CN3CCC(C)CC3)c3ccccc32)c(C)c1 12447032 YTCDTTDVGIUKGN-GYHWCHFESA-N 361.489 4.460 30 40 FIEB Cc1ccc(/C=N\N2CCN(C3c4ccccc4-c4ccccc43)CC2)o1 12462502 PTTFBJMAXQDBBB-JLPGSUDCSA-N 357.457 4.310 30 40 FIEB Cc1nc(-c2cccnc2)sc1C(=O)Nc1sc(C)c(C)c1C#N 20607106 MAMDQSZUIZLTQD-UHFFFAOYSA-N 354.460 4.316 30 40 FIEB C/C=C/C1=C(OC(C)=O)C(=O)C2=C(C=CC3=C(C)C(C)=CC[C@@]32C)C1=O 68601697 TTXFWZYIBNYDOI-WMWRJIBUSA-N 350.414 4.071 30 40 FIEB Cc1ccc(/C=N/c2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 100007709 GRUUAUFKBVZTEP-XDHOZWIPSA-N 357.460 4.003 30 40 FIEB C=CCc1cc(C(=O)NCCOc2ccc(CCC)cc2)ccc1OC 224127179 CQRBKBJDTIMCMF-UHFFFAOYSA-N 353.462 4.185 30 40 FIEB CCCOc1ccccc1CCCNC(=S)Nc1ccc(CC#N)cc1 225625053 CNILCNSKRHULKK-UHFFFAOYSA-N 367.518 4.461 30 40 FIEB CCn1c(N/N=C/c2ccc(-c3ccccc3C(=O)O)o2)nc2ccccc21 408692084 DBMYNUVPTZGWCU-LPYMAVHISA-N 374.400 4.460 30 40 FIEB COc1ccc([C@H]2C[C@@H]2CC(=O)N(CC#N)c2ccc(Cl)cc2)cc1 1615622791 NXNRMPCIAXPOIE-DNVCBOLYSA-N 354.837 4.399 30 40 FIEB N#Cc1c(NC(=S)NC(=O)c2ccc(F)cc2)sc2c1CCCCC2 827138 XMZDKJMODUEWCU-UHFFFAOYSA-N 373.478 4.155 30 40 FIEB Cc1ccc(C)c(N/N=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c1 6167693 QZNGQMKTHDVNNK-HAHDFKILSA-N 360.339 4.036 30 40 FIEB O=C(/C=C/c1cc(Br)cs1)c1ccc2c(c1)OCCO2 13137623 KELPWGZYFCZHBK-NSCUHMNNSA-N 351.221 4.178 30 40 FIEB C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1Cl 17180194 QYJADXFXGLZOCY-SFHVURJKSA-N 367.832 4.413 30 40 FIEB CCOc1ccc(/C=N/n2c(-c3ccccc3)n[nH]c2=S)cc1OCC 65997332 OZXONGYZELGNQY-DEDYPNTBSA-N 368.462 4.287 30 40 FIEB C=CCc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc(OC)c1OCC 408914000 WWPCGIKXWKLQAT-MOSHPQCFSA-N 355.394 4.177 30 40 FIEB CCOC(=O)c1ccccc1N/C=C/C(=O)c1ccc(Br)cc1 4608476 BUGARGUKSCBLSW-VAWYXSNFSA-N 374.234 4.434 30 40 FIEB C#CCOc1c(Br)cc(/C=N/c2ccc(OC)cc2)cc1OC 8116381 VRKXPWLKOAFSQJ-UDWIEESQSA-N 374.234 4.229 30 40 FIEB CCCCCCCCCC(=O)Nc1sc(C(=O)OC)c(C)c1C(N)=O 8432417 ONTPPYWWZNOYQO-UHFFFAOYSA-N 368.499 4.021 30 40 FIEB O=C1/C(=N\O)c2c(Cl)cccc2N1CCOc1ccc2ccccc2c1 46085215 IOCWODGVDNRFRS-QOCHGBHMSA-N 366.804 4.097 30 40 FIEB Cc1ccc(C)c(CO/N=C(/N)c2cccc(OCc3cccnc3)c2)c1 58114702 BNPAAMKKDGODLI-UHFFFAOYSA-N 361.445 4.115 30 40 FIEB COc1cc2c(cc1OC)C(=O)/C(=C\c1cc(Cl)cc3c1OCOC3)C2 95474040 DQTZYCQQUOECMI-QCDXTXTGSA-N 372.804 4.046 30 40 FIEB C=CCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CC 223408140 CZHQTUCTWKZRPF-FQEVSTJZSA-N 370.880 4.122 30 40 FIEB C[C@]12CC[C@@H]3[C@H]([C@@H]4C[C@@H]4C4=CC(=O)CC[C@@]43C)[C@@H]1[C@@H]1C[C@@H]1[C@]21CCC(=O)O1 253535709 METQSPRSQINEEU-MGHYYENFSA-N 366.501 4.306 30 40 FIEB Fc1cc(/C=N/c2ccc(Br)cc2)ccc1N1CCOCC1 409136788 VNSXXIJNKPSWSG-UDWIEESQSA-N 363.230 4.175 30 40 FIEB C=CCO[C@@H]1CC2(CCN(C(=O)C3(F)CCC3)CC2)c2cc(C)ccc21 585105637 MNVSILLZESGOLK-LJQANCHMSA-N 357.469 4.395 30 40 FIEB C/C(=N\OC(=O)Nc1ccc(Cl)cc1)c1ccc(-n2ccnc2)cc1 5177840 FJWPDXPYMDSKPN-LPYMAVHISA-N 354.797 4.498 30 40 FIEB COc1ccc(/C=C2\S/C(=N\c3ccc(Cl)cc3)NC2=O)cc1OC 5376481 QRIHRRYAOTXVMG-YBEGLDIGSA-N 374.849 4.249 30 40 FIEB O=[N+]([O-])c1ccc2c(c1)/C(=N/Nc1cccc(C(F)(F)F)c1)C(O)=N2 6861932 KJXIBMOJTZFARC-UHFFFAOYSA-N 350.256 4.031 30 40 FIEB Cc1ccc2nc(SCC(=O)Nc3ccc(C#N)c(Cl)c3)[nH]c2c1 6908889 IMCNQKMGIQPXAE-UHFFFAOYSA-N 356.838 4.127 30 40 FIEB CC/N=c1\scc(-c2ccc(C)cc2)n1/N=C/c1ccc2c(c1)OCO2 12660936 GYLJYIZMMVRZQJ-KULGIPGCSA-N 365.458 4.057 30 40 FIEB Cc1ccc([S@](=O)(=NC(C)(C)C#N)Oc2ccc([N+](=O)[O-])cc2)cc1 13757334 WKJANNHKONLOTN-RUZDIDTESA-N 359.407 4.026 30 40 FIEB C[C@@H]1CCC[C@@H](C)N1/C(=N/S(=O)(=O)c1ccccc1)c1ccccc1 17824307 OQWFVPCFUCKOEN-XTPAXOCXSA-N 356.491 4.085 30 40 FIEB C=CCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cc(C)ccc2C)cc1 40066930 GIVIAFXDOLBRLA-INIZCTEOSA-N 353.418 4.052 30 40 FIEB CC1=CC(=O)C(N=[N+]=[N-])=C(C)/C1=N\C(=O)c1ccc(Br)cc1 100855705 KDSIYHAJTNKENP-AQTBWJFISA-N 359.183 4.144 30 40 FIEB C#CCOc1c(Cl)cc(/C=N/OCc2ccccc2C#N)cc1Cl 408589618 FDMSMRLQPQSDGX-SSDVNMTOSA-N 359.212 4.428 30 40 FIEB COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(F)cc2)S1 408884714 UZUCSPNHTLLYMK-NVNXTCNLSA-N 362.813 4.379 30 40 FIEB CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(C(N)=O)cc1 1472962 LUPJOKJOAVLOEM-UHFFFAOYSA-N 369.428 4.073 30 40 FIEB C/C(=C/N1CCN(c2ccc(C)c(C)c2)CC1)C(=O)c1ccc(F)cc1 1718121 VGSDFSCLAWDOAH-SDXDJHTJSA-N 352.453 4.351 30 40 FIEB O=C(/C=C/c1ccc(F)cc1)c1ccc(I)cc1 4458680 RIUSLDUDXSSUID-XCVCLJGOSA-N 352.146 4.326 30 40 FIEB CCCC[C@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc([N+](=O)[O-])cc1 4626436 WVKDLKWFXFPJBB-KBXCAEBGSA-N 374.437 4.096 30 40 FIEB Cc1cc(C)c(C#N)c(S[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)n1 5642563 PIOLGKKTOWKSHX-NSHDSACASA-N 363.845 4.482 30 40 FIEB CCN(CC)c1ccc(/N=C2/NC(=O)/C(=C/c3ccccc3)S2)cc1 6869808 HGCRGJIUWKDNSP-JXAWBTAJSA-N 351.475 4.424 30 40 FIEB Cc1ccc(S(=O)(=O)N/N=C(/c2ccccc2)C2CCCCC2)cc1 8627866 CQGBRSOLXPGSOD-MRCUWXFGSA-N 356.491 4.258 30 40 FIEB CCCOc1ccc(/C=N\Nc2ccc(Cl)c(C(=O)O)c2)cc1OC 30759605 URMMKFDZEOZYLC-JAIQZWGSSA-N 362.813 4.282 30 40 FIEB N#Cc1ccc(COC(=O)c2ccccc2SC[C@H]2CCCO2)c(F)c1 32860316 VKVGSMTYHIKPLA-MRXNPFEDSA-N 371.433 4.325 30 40 FIEB COc1ccc([C@H]2C[C@]2(C#N)c2nc3ccccc3[nH]2)cc1OC(F)F 67172440 BFTABJNOIXSNJQ-CWTRNNRKSA-N 355.344 4.122 30 40 FIEB C=CCOC(=O)c1cc([N+](=O)[O-])cc2nc(-c3ccccc3Cl)oc12 73641949 JOBOIWXGMRVNGW-UHFFFAOYSA-N 358.737 4.399 30 40 FIEB Cc1nccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)n1 79793920 JYIMNRWSTMRIAQ-GFCCVEGCSA-N 354.479 4.122 30 40 FIEB CCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)O)N(C)C 97978610 CYGAEZQNRUGNLL-SFHVURJKSA-N 356.551 4.209 30 40 FIEB in-vitro C=CCN(CC=C)C(=O)CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 100987505 RZIJOMLDPLEQJR-RCDYEMGKSA-N 352.316 4.311 30 40 FIEB CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OC(C)=O)cc1C#N 225823987 WMGSJZMHZCXAAS-UHFFFAOYSA-N 374.481 4.290 30 40 FIEB O/C(=N/C1[C@H]2CC[C@H]1Cc1ccccc1C2)N1CCCC[C@H]1c1cc[nH]n1 329710092 NLMGITCYKGOXLF-BJLQDIEVSA-N 364.493 4.044 30 40 FIEB COc1ccc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)c(OC)c1C 408965250 JPTDIXNUXVFNHK-MHWRWJLKSA-N 372.421 4.043 30 40 FIEB N#Cc1c(-c2cc(Br)ccc2O)c(-c2ccccc2)c[nH]c1=N 408979060 LBGQKVPTGVEFNK-UHFFFAOYSA-N 366.218 4.168 30 40 FIEB COc1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(OC)c1 5358173 IPUSMOINVZLXSB-AWQFTUOYSA-N 369.299 4.077 30 40 FIEB CC[C@@H]1S/C(=N\N=C\c2cccs2)N(Cc2ccccc2C)C1=O 5791254 LUNBIPKQPZWQIZ-HSWSJEDYSA-N 357.504 4.301 30 40 FIEB CC1=C(C(=O)c2ccc(Cl)cc2)[C@@H](c2ccc(F)cc2F)NC(=O)N1 6763829 OFIMMMBJLFFZNQ-MRXNPFEDSA-N 362.763 4.129 30 40 FIEB CC1=C(C(=O)c2ccccc2)[C@H](c2ccc(Cl)cc2)n2ncnc2N1 9134012 FIWRBYQPKWDGGU-KRWDZBQOSA-N 350.809 4.103 30 40 FIEB CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C#N)nc2ccccc21 10054556 KTLPICITKKCZBG-ZDUSSCGKSA-N 350.447 4.047 30 40 FIEB CCN(CC)Cc1cc(C(=O)/C=C/c2ccc(C(=O)O)cc2)ccc1OC 13366010 ZPQODFHUVJMVRV-XYOKQWHBSA-N 367.445 4.131 30 40 FIEB CC(C)C(=O)Nc1sc(N/N=C/c2ccco2)nc1-c1ccccc1 16753150 QPFSAQDGQWNCPO-YBFXNURJSA-N 354.435 4.444 30 40 FIEB C=CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 19087672 RVRSRYQALGGGKP-QGZVFWFLSA-N 353.805 4.104 30 40 FIEB CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccccn1 19418530 QQWDKTDFXHSQBG-UHFFFAOYSA-N 350.462 4.055 30 40 FIEB COc1ccc(Cn2c(-c3ccc(Cl)cc3)ccc(C#N)c2=O)cc1 1402953 YUUKIAYPWSIPNN-UHFFFAOYSA-N 350.805 4.097 30 40 FIEB O=[N+]([O-])c1cc(/C=N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1Cl 3194494 WKGOGDOCHRBPHW-ZEELXFFVSA-N 367.148 4.263 30 40 FIEB COCCn1c(SCc2ccc(C#N)cc2)nnc1-c1cccc(C)c1 4444675 VGAXXAGPEUMZHD-UHFFFAOYSA-N 364.474 4.064 30 40 FIEB COc1ccc(/C(CCCC/C(=N\O)c2ccc(OC)cc2)=N/O)cc1 4844172 LASVMYHKUXVWCB-FLFKKZLDSA-N 356.422 4.321 30 40 FIEB O=C(O)c1cc(N/N=C/c2ccccc2Br)ccc1Cl 4919769 MWDPDWXZPIBRTI-CAOOACKPSA-N 353.603 4.247 30 40 FIEB CCc1c(C)c(C#N)c2nc3cc(C)ccc3n2c1NCCN(CC)CC 5333580 JTFHISJXSOJKAS-UHFFFAOYSA-N 363.509 4.292 30 40 FIEB C=CCOc1ccccc1/C=C1\SC(=O)N(c2cccc(O)c2)C1=O 5376170 RIMHBKXOYYIXDU-BOPFTXTBSA-N 353.399 4.198 30 40 FIEB N#CC1(c2ccccc2)CCC(NCCCn2cnc3ccccc32)CC1 7985268 YBKPFMRISWLPLT-UHFFFAOYSA-N 358.489 4.420 30 40 FIEB C=CCc1ccc(O[C@@H](C)C(=O)Nc2ccc(F)c(F)c2F)c(OC)c1 32958191 KLINEMSCVFOQHX-NSHDSACASA-N 365.351 4.247 30 40 FIEB COc1ccc(OC)c(C[C@@H](C#N)C(=O)Nc2cccc3ccccc23)c1 57523278 RYGUWZMMBCHURP-KRWDZBQOSA-N 360.413 4.178 30 40 FIEB O=C(Nc1cccc(C(F)(F)F)c1)O[C@@H]1C[C@H]2C[C@@H]1[C@H]1C[C@H]3O[C@@H]3[C@H]21 100818668 YIEKQZZNLCOSAB-KFSMSGCUSA-N 353.340 4.066 30 40 FIEB N#Cc1c(NC(=O)CC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)sc2c1CCCC2 103001240 PHUWUMLEWDTWSD-RKOMNEFPSA-N 370.518 4.158 30 40 FIEB N#CC1(c2ccc(NC(=O)[C@@H]3CCCN(Cc4ccccc4)C3)cc2)CC1 225901783 XJCHZVXQWCPHCQ-LJQANCHMSA-N 359.473 4.092 30 40 FIEB CC1=C(N/N=C2\C=CC(=O)c3ccccc32)C(=O)[C@@H](c2ccccc2)[C@H]1C 1554504460 WBKWGZNUFKYIDG-OOHHVYOISA-N 356.425 4.009 30 40 FIEB CS(=O)(=O)c1ccc(C(=O)/C=C/c2cccc(C(F)(F)F)c2)cc1 7352716 TXVJQOKQNQVIDA-BJMVGYQFSA-N 354.349 4.005 30 40 FIEB Cc1nc(S[C@@H](C)C(=O)Nc2cccc(C#N)c2)n(CC(C)C)c1C 8134452 UNKPOHFXQVKKBL-HNNXBMFYSA-N 356.495 4.147 30 40 FIEB N#Cc1ccc(/C=C/C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 9335677 MWITUZBUBLAWRV-ZBWUASRJSA-N 374.440 4.096 30 40 FIEB CCOc1ccccc1/C=C1\Oc2cc(OC(=O)C3CC3)ccc2C1=O 9419008 QQYQRZXFVWNNNC-ODLFYWEKSA-N 350.370 4.017 30 40 FIEB N#Cc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)cc1 12831820 IQOFLWCQCAHCRB-UHFFFAOYSA-N 360.392 4.014 30 40 FIEB COCC/N=C1/Sc2nc3ccc(C)cc3cc2CN1Cc1ccco1 13150757 FSHIQIPTJVIEKB-QZQOTICOSA-N 367.474 4.247 30 40 FIEB Cc1noc2c1[C@@H](c1ccc(Br)cc1)C1=C(CCCC1=O)N2 13726334 CSTFPFOFAHOOSH-OAHLLOKOSA-N 359.223 4.310 30 40 FIEB CCCC/N=C1\S/C(=C/c2ccc3c(c2)OCO3)C(=O)N1CCCC 35042071 NIAJLAMVBNUXEF-QHHAONBESA-N 360.479 4.288 30 40 FIEB C/C(=N\Nc1ccc2ccccc2n1)c1ccc(N2CCOCC2)c(F)c1 58645834 NFZLMMDVGLMXRV-BUVRLJJBSA-N 364.424 4.047 30 40 FIEB CCOc1ccccc1O[C@H]1CCC[C@@H]1Nc1snc(Cl)c1C#N 75148722 LXNUOAWBGVZVCN-STQMWFEESA-N 363.870 4.479 30 40 FIEB CN(C/C(O)=N/CCc1ccccc1)Cc1ccc(C(F)(F)F)cc1 82120968 JGOCEEJALBKFOI-UHFFFAOYSA-N 350.384 4.336 30 40 FIEB CCOc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)c(OCC)c1 408931298 JSARWRALTKICAC-CJLVFECKSA-N 354.450 4.071 30 40 FIEB N#Cc1c(NC(=O)c2cc3ccccc3c(=O)o2)sc2c1CCCCC2 995977 ULTBZYRSCOQBSQ-UHFFFAOYSA-N 364.426 4.247 30 40 FIEB COc1ccc(/C=C/C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OC 1932427 GWASTTZPJYZREE-CSKARUKUSA-N 368.458 4.168 30 40 FIEB N#Cc1ccc(OCC(=O)Nc2nc(-c3ccccc3Cl)cs2)cc1 3312355 PKPJGFKFEFCRQB-UHFFFAOYSA-N 369.833 4.353 30 40 FIEB CCC[C@H]1CCc2c(sc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)c2C#N)C1 5952207 BRINQOKNWFCARM-CFVMTHIKSA-N 374.506 4.354 30 40 FIEB C=CCN(C(=O)c1cccc(C)c1[N+](=O)[O-])c1nc2c(s1)CCCC2 12791012 STTLWCMVOLYQKF-UHFFFAOYSA-N 357.435 4.071 30 40 FIEB Cn1cc(/C=C2\Oc3c(ccc(O)c3CN3CCCC3)C2=O)c2ccccc21 28182424 IAQUVVVSBLVTIS-MTJSOVHGSA-N 374.440 4.096 30 40 FIEB O=C1/C(=N\c2ccc(Cl)cc2)c2ccccc2N1CN1CCCCC1 36123668 WNTRENOGLPRPJT-QOCHGBHMSA-N 353.853 4.251 30 40 FIEB N#Cc1ccc(NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)cc1 36397628 GAFKBOKXWSVZEJ-UHFFFAOYSA-N 367.861 4.440 30 40 FIEB CCN(CC#N)Cn1nc(-c2ccccc2)n(-c2cccc(C)c2)c1=S 57995755 YBFZBEYYQLQUHZ-UHFFFAOYSA-N 363.490 4.182 30 40 FIEB COc1ccc(Cl)cc1/N=C/c1ccc(OCC(=O)O)c(Cl)c1 59679783 YCHNKNKFVXFJKW-UFWORHAWSA-N 354.189 4.216 30 40 FIEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N\c2ccc(O)c(C(=O)O)c2)o1 408961752 VFCVCGQXBWOPMN-FBHDLOMBSA-N 365.341 4.108 30 40 FIEB Cc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCC(C)CC3)C2=O)o1 2442934 MSMOINWHXLIQEN-ODLFYWEKSA-N 353.418 4.142 30 40 FIEB biogenic O=C(O/N=C/c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 4054224 MLBYCNSVHWRVMY-UDWIEESQSA-N 373.796 4.039 30 40 FIEB COc1ccc(N/N=C(/C#N)c2nc(-c3cccc(OC)c3)cs2)cc1 5024002 PBTFIYIVGMECJC-QJOMJCCJSA-N 364.430 4.167 30 40 FIEB O=C(/C=C/c1ccc(N2CCOCC2)cc1)c1ccc(OC(F)F)cc1 5129318 WZAIPCOPMXCLCT-XCVCLJGOSA-N 359.372 4.021 30 40 FIEB Cc1ccc(-n2c(S[C@H](C)C#N)nc3sc4c(c3c2=O)CCC4)cc1 6842132 CGMUARQOZVYMHV-GFCCVEGCSA-N 367.499 4.249 30 40 FIEB N#Cc1ccsc1NC(=O)COc1ccc(Br)cc1Cl 7007468 PXEXIHAGOPSTBW-UHFFFAOYSA-N 371.643 4.053 30 40 FIEB CN(C)Cc1c(O)ccc2c1O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 8990265 HSEGDYOTYNYWKK-UNOMPAQXSA-N 351.446 4.368 30 40 FIEB CC(C)C[C@H](NC(=O)c1ccccc1)c1nc2ccccc2n1CCC#N 12629455 UUKJKXKXAHXEGG-IBGZPJMESA-N 360.461 4.467 30 40 FIEB Cc1ccc(OCc2nc(C)c(C(=O)Nc3cccc(C#N)c3)s2)cc1 12777791 RWWVEKGRUXLADU-UHFFFAOYSA-N 363.442 4.463 30 40 FIEB C=CCO/N=C(\CCC)C1=C(NC(=O)c2ccccc2)CC(C)(C)CC1=O 19205032 HLIXCRABRCXDBU-JJIBRWJFSA-N 368.477 4.418 30 40 FIEB N#CC1(C(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)CCCC1 24441276 XXFLEKXLRHDZQU-LJQANCHMSA-N 357.457 4.500 30 40 FIEB O=C1N/C(=N/c2ccccc2F)S/C1=C\c1ccc(Br)o1 35647003 CSIWJXRUADQZBF-XFFZJAGNSA-N 367.199 4.073 30 40 FIEB COc1ccc(OC)c(/C=N\c2nc3c(s2)Cc2cc(OC)ccc2-3)c1 103576932 FDCPANQRVFWJLQ-NHDPSOOVSA-N 366.442 4.491 30 40 FIEB CC(C)(C)OC(=O)Nc1ccc(Cl)c(F)c1B1OC(C)(C)C(C)(C)O1 307708257 IQWNILOLLURDTI-UHFFFAOYSA-N 371.645 4.125 30 40 FIEB Cc1nn(C)c(C)c1[C@H](C)/C(O)=N/[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 328846380 AKSSQVITZMTLEM-WILYLXEWSA-N 374.916 4.196 30 40 FIEB O=[N+]([O-])c1ccccc1-c1ccc(/C=N/NC(=S)Nc2ccccc2)o1 824992 YSBYVEAOCRILDW-XDHOZWIPSA-N 366.402 4.175 30 40 FIEB Cc1ccc2cc(C#N)c(SCC(=O)N[C@@H]3CCCC[C@H]3C)nc2c1 906823 JGZDDSGTUCZYHA-RHSMWYFYSA-N 353.491 4.202 30 40 FIEB COc1cccc(NC(=O)CSc2nc3c(C)cccc3cc2C#N)c1 933862 XKZWRJYATSHMRO-UHFFFAOYSA-N 363.442 4.154 30 40 FIEB CCC(=O)Oc1oc(-c2ccccc2)nc1/C=N/c1ccc([N+](=O)[O-])cc1 4822738 WCHZUYUJPFVKDG-UDWIEESQSA-N 365.345 4.316 30 40 FIEB CC/C(=N\NC(=S)Nc1cccc(C)c1)c1ccc(OC)c(OC)c1 4871870 KNJHVODHAZWTTG-LTGZKZEYSA-N 357.479 4.113 30 40 FIEB CC(C)Cn1c(SCCOc2ccc(C#N)cc2)nnc1-c1ccco1 11135953 URDMCIFPXLTVTK-UHFFFAOYSA-N 368.462 4.237 30 40 FIEB COc1ccc(/C=N/c2c(-c3ccc(OC)cc3)nc3n2CCS3)cc1 13108411 YMPZQZIFBHBCIN-FYJGNVAPSA-N 365.458 4.424 30 40 FIEB C/C(=N\NCc1c(Cl)cccc1Cl)c1ccc2c(c1)OCCO2 13586076 VOCODQYIQGBJIL-SRZZPIQSSA-N 351.233 4.278 30 40 FIEB Cc1c(C#N)c(NC(=O)c2c[nH]c3ccccc23)n(Cc2ccco2)c1C 13690826 GLSCUKOBENAKSX-UHFFFAOYSA-N 358.401 4.352 30 40 FIEB CCCCn1c(SCc2ccc(-c3ccccc3C#N)cc2)n[nH]c1=O 14189821 ATERCDGZAWJRSR-UHFFFAOYSA-N 364.474 4.202 30 40 FIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2)cc1 102539728 DRVZTMCKEHSGAR-NHFXJNLRSA-N 373.408 4.210 30 40 FIEB COC(=O)c1cccc(/N=C\c2ccc(-c3ccc(C(=O)O)cc3C)o2)c1 408960026 ICUPAMBEXNHIRT-UUYOSTAYSA-N 363.369 4.490 30 40 FIEB Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1/N=C/c1cccc([N+](=O)[O-])c1 408976811 SJUZTTJBUAOSCS-YBFXNURJSA-N 365.349 4.056 30 40 FIEB C=CCN(CCC#N)C(=O)c1csc(-c2ccc(OCCC)cc2)n1 552779697 YBEYTYJLJZKPKV-UHFFFAOYSA-N 355.463 4.141 30 40 FIEB N#Cc1ccc(CN2CCC(COc3ccncc3Cl)CC2)c(F)c1 1889130534 AKVQLJRNHQMESW-UHFFFAOYSA-N 359.832 4.037 30 40 FIEB N#Cc1nc(-c2ccccc2Cl)oc1NCc1ccc2c(c1)OCO2 2195621 KODXEXOSWXYWQH-UHFFFAOYSA-N 353.765 4.207 30 40 FIEB CCC(=O)N(/C=C1\Sc2ccccc2C1=O)c1ccc(C(=O)OC)cc1 5572769 CEXKQPJQULLEOZ-ATVHPVEESA-N 367.426 4.046 30 40 FIEB COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC)c(OC)c2)cc1OC 6341245 ZVCIVEGPQLJHBJ-FNORWQNLSA-N 362.809 4.271 30 40 FIEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccccc1F 20633197 DCSHMRVFYKOVPJ-IBGZPJMESA-N 363.392 4.194 30 40 FIEB C#CCOc1cccc(CN[C@H](Cc2cccs2)c2nccs2)c1 72341756 BIAKKVBMYTYKBX-GOSISDBHSA-N 354.500 4.290 30 40 FIEB C=CCOc1ccc(NC(=O)COc2cccc(C(F)(F)F)c2)cc1 225812642 XNHYMFBBDUFRMM-UHFFFAOYSA-N 351.324 4.288 30 40 FIEB Cc1nnc(S)n1/N=C/c1cc(C)n(-c2ccc3ccccc3c2)c1C 408874513 CXLNQDYIBVVVMB-CIAFOILYSA-N 361.474 4.318 30 40 FIEB COc1ccccc1OCc1nc(C#N)c(NCc2ccccc2Cl)o1 794769 JAWAEATYYFBMLD-UHFFFAOYSA-N 369.808 4.399 30 40 FIEB Cc1ccc2cc(C#N)c(SCC(=O)Nc3ccc(F)cc3)nc2c1 899090 UZNLOKBKUKALJY-UHFFFAOYSA-N 351.406 4.285 30 40 FIEB CCCCCOc1ccc(/C=N/Nc2cc(N3CCCCC3)ncn2)cc1 4015888 XWHCBAIWXKLUSC-LFVJCYFKSA-N 367.497 4.482 30 40 FIEB Cc1nc(S[C@H](C)C(=O)Nc2ccc(Cl)cn2)c(C#N)c(C)c1C 5089316 FXWBFKFGZRSADR-GFCCVEGCSA-N 360.870 4.046 30 40 FIEB Cc1ccc(Cn2nc(C)c(/C=C3\Cc4c(O)cccc4C3=O)c2C)cc1 11336222 LNRDMVTUFFHWRK-WOJGMQOQSA-N 358.441 4.385 30 40 FIEB C#Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1 12541907 IOHCQPMRKDKVGW-UHFFFAOYSA-N 359.756 4.141 30 40 FIEB O=C(/C=C1\N[C@H]2CCCC[C@H]2N\C1=C/C(=O)c1ccccc1)c1ccccc1 13410488 RRRCNKSFZNYVIJ-FZXNRTHUSA-N 372.468 4.024 30 40 FIEB CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2F)[C@H]1C1CCCCC1 13974331 VQNLJXWZGVRLBA-INIZCTEOSA-N 351.805 4.176 30 40 FIEB COc1cccc(/C=N/c2ccccc2C(=O)Nc2nccs2)c1OC 15990098 JJUIOZLROZXLJG-CIAFOILYSA-N 367.430 4.163 30 40 FIEB CC1=NN(c2ccccc2)C(=O)/C1=N/Nc1ccc(SC(F)F)cc1 103429377 QZGZYQLUQUEVJR-RCCKNPSSSA-N 360.389 4.192 30 40 FIEB C/C=C/C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103542389 DNAFBWBFCSLVLO-NSCUHMNNSA-N 368.142 4.209 30 40 FIEB COc1cc(/C=N/Nc2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cn1 408737665 GEAICPDCZLLLIZ-CIAFOILYSA-N 364.361 4.237 30 40 FIEB C[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc4c(c3)OCO4)c2C#N)C1 670580 NLCDWWUWKZOASO-NTYUQYKDSA-N 366.442 4.125 30 40 FIEB S=C(N/N=C/c1ccc(Cl)cc1Cl)N[C@@H]1CCc2ccccc21 1709427 YCUYOCUDFQGWHL-OVEPSTSESA-N 364.301 4.479 30 40 FIEB O=C1CCCC2=C1[C@H](c1ccc([N+](=O)[O-])cc1)CC(=O)N2c1ccccc1 2250432 URSPPJNPWAPXDA-KRWDZBQOSA-N 362.385 4.122 30 40 FIEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@]21C(=O)Nc2ccccc21 4414096 LQAGBBMWFBLBMD-QFIPXVFZSA-N 359.429 4.015 30 40 FIEB CCOc1cc([N+](=O)[O-])cc(/C=N/c2cc(C(C)(C)C)ccc2O)c1O 4991133 UTIOAFFBBPBWLU-RGVLZGJSSA-N 358.394 4.453 30 40 FIEB O=C(Oc1ccc2c(c1)O/C(=C\c1cccnc1)C2=O)c1ccccc1F 5180672 DHLMDTMRZXHYQD-GRSHGNNSSA-N 361.328 4.056 30 40 FIEB S=C(NCc1ccccc1)N/N=C/C(c1ccccc1)c1ccccc1 5414062 HYHCXUHJUPLCNF-JJIBRWJFSA-N 359.498 4.469 30 40 FIEB COc1ccc(CNc2oc(/C=C/c3cccc(OC)c3)nc2C#N)cc1 8474762 VXIOONJPZNEYKW-DHZHZOJOSA-N 361.401 4.346 30 40 FIEB Cc1nc(NC(=N)/N=C(\O)Cc2ccc(Cl)cc2)nc2ccccc12 9065953 WLFABOXPPYRMQY-UHFFFAOYSA-N 353.813 4.137 30 40 FIEB Fc1cccc(Cl)c1/C=N\NC(=S)NC12CC3CC(CC(C3)C1)C2 16922619 AOBKFRVMSWDZBR-FBHDLOMBSA-N 365.905 4.246 30 40 FIEB Cc1nc2n(n1)[C@H](c1ccc(Cl)c(Cl)c1)C1=C(C[C@@H](C)CC1=O)N2 22608082 FSFRPPJEMRZMTD-VPTHRUTESA-N 363.248 4.161 30 40 FIEB C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(Oc4ccc(C#N)cc4)cc3)C(=O)[C@@H]2C1 101028114 KJWSKORJFCFRHG-VOBQZIQPSA-N 360.413 4.276 30 40 FIEB O=S(O[C@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21)O[C@@H]1C[C@@H]2C[C@@H]1[C@H]1CCC[C@H]21 104117062 KJMQEAFQKVMQKB-JMBNXKLISA-N 350.524 4.248 30 40 FIEB C[Si](C)(C)C(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 263612018 XTASKMBECZXOKG-UHFFFAOYSA-N 358.430 4.197 30 40 FIEB FC(F)(F)C(F)(F)C(F)(F)N/N=C\c1ccc(Br)cc1 409030681 FETFXCJEAVIWDL-IPKBDRFQSA-N 367.062 4.163 30 40 FIEB Oc1c(Cl)cc(Cl)cc1/C=N\NC(F)(F)C(F)(F)C(F)(F)F 409038405 OVFQPKWDQDFIAR-DYUKFFQPSA-N 373.055 4.413 30 40 FIEB N#Cc1cc(NC(=O)CCCc2ccc(F)c(F)c2)nc2ccccc12 565767414 AQNZPUJBZDUXHK-UHFFFAOYSA-N 351.356 4.346 30 40 FIEB CC(C)(C)C1=CC(=NN2C(=O)c3ccccc3C2=O)C=C(C(C)(C)C)C1=O 972656 FCTZVXZNCSXJQG-UHFFFAOYSA-N 364.445 4.166 30 40 FIEB NC(=S)N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12 2775923 PCAUWOBKXIDIAG-FSJBWODESA-N 358.470 4.010 30 40 FIEB N#Cc1ccc(NC(=O)COC(=O)c2cccc(Oc3ccccc3)c2)cc1 3307394 VGBDXCUYSLCYOD-UHFFFAOYSA-N 372.380 4.146 30 40 FIEB C=C(Br)CNC(=O)Nc1c2ccccc2nc2ccccc12 5011239 PMFFHYXVVVBLAK-UHFFFAOYSA-N 356.223 4.418 30 40 FIEB O=C(/C=C/c1ccc2c(c1)OCO2)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 5277679 HINANDHGMPAUKT-ORCRQEGFSA-N 365.263 4.238 30 40 FIEB C[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3cccc(F)c3)c2C#N)C1 6764138 IJXDGHYLUAMVMY-SNVBAGLBSA-N 373.478 4.010 30 40 FIEB COc1ccc(/N=C2\C(=O)c3ccccc3C(O)=C2N2CCCCC2)cc1 6786653 HSGJWHZSGUMRJE-NMWGTECJSA-N 362.429 4.377 30 40 FIEB N#Cc1ccccc1OCC(=O)N[C@H](Cc1ccccc1)c1ccccc1 6849658 JFUOHAZUQRNNOY-OAQYLSRUSA-N 356.425 4.037 30 40 FIEB C/N=c1\scc(-c2ccccc2)n1/N=C/c1cccc(Br)c1 12602786 CSMPJVIAMIJRTA-MXPDZRDSSA-N 372.291 4.392 30 40 FIEB CC1=C[C@@H](CC#N)[C@H](C(C)C)C[C@H]1CC(=O)N(C)CCc1ccccn1 30882557 NBCSJQTWUHNOER-DYXWJJEUSA-N 353.510 4.241 30 40 FIEB biogenic,in-vitro C=CCN(c1ccccc1OC)S(=O)(=O)c1cc(Cl)ccc1Cl 224932657 BJCQIKPSQOTDRR-UHFFFAOYSA-N 372.273 4.383 30 40 FIEB C=CCn1c(CCCC)nnc1SCC(=O)Nc1cccc(Cl)c1 408561594 KEBBZEXENHPKKH-UHFFFAOYSA-N 364.902 4.191 30 40 FIEB CCOc1ccc2nc(SCC(=O)Nc3ccccc3)c(C#N)cc2c1 649516 NWGOGHHVBBXUKJ-UHFFFAOYSA-N 363.442 4.236 30 40 FIEB C/C(=N\OCC(=O)N[C@@H]1CCCc2ccccc21)c1cc2ccccc2o1 6513130 UFBFDECSABKXGW-IERINAHZSA-N 362.429 4.367 30 40 FIEB N#Cc1ccc(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)cc1 7947114 LXZAKQUIDHDNAM-GOSISDBHSA-N 350.468 4.469 30 40 FIEB C=CCn1c(S[C@@H](C)C(=O)c2ccc(F)cc2)nc2ccccc2c1=O 8282464 ZDNDNEGADBFXCB-ZDUSSCGKSA-N 368.433 4.085 30 40 FIEB C=CCn1c(S[C@@H](C)C(=O)NC2CCCC2)nnc1C1CCCCC1 8394796 SCLMCQJRBMRFLU-AWEZNQCLSA-N 362.543 4.051 30 40 FIEB CC[C@@H]1S/C(=N/N=C/c2c(-c3ccccc3)[nH]c3ccccc23)NC1=O 8481740 QXDDVHRCTYAVPE-RHLNUJDMSA-N 362.458 4.166 30 40 FIEB C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cccc(C)c3)ccc21 8958804 HZWRXPXJRDHIIL-UHFFFAOYSA-N 364.445 4.185 30 40 FIEB CCOc1ccc(/C=C/C(=O)c2cccc(N3CCCC3=O)c2)cc1OC 12772078 AZIOSIQBSCLKJT-PKNBQFBNSA-N 365.429 4.117 30 40 FIEB CCCCCCCCCCCC(=O)N[C@H](C(=O)O)[C@H](O)c1ccccc1 17433612 ITWIIXBTXPJQJZ-VQTJNVASSA-N 363.498 4.210 30 40 FIEB NC(=O)c1c(/N=C/c2cc(Cl)cc(Cl)c2O)sc2c1CCCC2 18106419 HCGGKKKPEDTXAG-IFRROFPPSA-N 369.273 4.489 30 40 FIEB C[C@H]1CCCN(Cc2c(O)ccc3c2O/C(=C\c2cccs2)C3=O)C1 20504034 QSIQANCMADLMDY-VQIMKDEXSA-N 355.459 4.302 30 40 FIEB biogenic C=CCSCC(=O)N[C@@H](C)c1ccc(NC(=O)Nc2ccccc2)cc1 53261626 FOILNYKGCXXYCC-HNNXBMFYSA-N 369.490 4.427 30 40 FIEB Cc1cccc2cc(/C=C/C(=O)c3cccc(Br)c3)c(=O)[nH]c12 95116690 AXMGERYOKFDAGO-CMDGGOBGSA-N 368.230 4.495 30 40 FIEB C=CCOc1ccc(NC(=S)NCCCc2cccc(OC)c2)cc1 225554587 KWDSUSZNERWCQC-UHFFFAOYSA-N 356.491 4.179 30 40 FIEB CC(/C=C(C)/C=C/c1ccccc1)=NNS(=O)(=O)c1ccc(C)cc1 245239876 MXUZSUTUSDYKRY-HTTUKFFWSA-N 354.475 4.309 30 40 FIEB CCOc1cc(/C=C2/C(=O)ON=C2C)ccc1OCc1ccc(F)cc1 4320997 ZCDIJGKQRUZYPP-LICLKQGHSA-N 355.365 4.120 30 40 FIEB CCSc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C1=C(CCCC1=O)N2 4436135 OIYBQEDEMLKQRG-HNNXBMFYSA-N 360.870 4.066 30 40 FIEB CN(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O 4464952 LGWNRKXPFVKXGR-SXGWCWSVSA-N 361.756 4.156 30 40 FIEB N#C[C@H]1C(=S)NC2=C([C@H]1c1ccc(Cl)cc1Cl)N1CCC2CC1 5762771 HLDFYKDETNCONR-OCCSQVGLSA-N 364.301 4.085 30 40 FIEB C=CCn1c(S[C@@H](C)C(=O)NC2CCCCC2)nnc1-c1ccccc1 6650645 CFHOAWUIHRETOL-HNNXBMFYSA-N 370.522 4.061 30 40 FIEB C[C@@H](OC(=O)c1c(Cl)cccc1Cl)C(=O)Nc1cccc(C#N)c1 7108744 PKFNBNOHGBUUKM-SNVBAGLBSA-N 363.200 4.049 30 40 FIEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](c1ccccc1)c1cccs1 12981751 LZHFHJXLYQOAMV-MGPUTAFESA-N 362.454 4.293 30 40 FIEB C(=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1)\c1ccccc1 19682364 JGAYKEAZJXUZJD-XIEYBQDHSA-N 353.469 4.408 30 40 FIEB COc1ccc2c(c1)/C(=N\OC(=O)C13CC4CC(CC(C4)C1)C3)CCC2 22000756 YBTZFGRKVMVVTC-ATJXCDBQSA-N 353.462 4.495 30 40 FIEB COc1ccc(CNc2cc(C)c(C#N)c3nc4ccccc4n23)cc1OC 25251791 TWFYTBKDWYYWPU-UHFFFAOYSA-N 372.428 4.297 30 40 FIEB N#Cc1ccc(CN2CCC[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)cc1 26456395 NIWAXLMJOXYTAE-SFHVURJKSA-N 374.271 4.468 30 40 FIEB C=C(C)CSc1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1 32876776 BDALBRIYSLIDBK-AWEZNQCLSA-N 354.479 4.274 30 40 FIEB CCc1c(S[C@H](C(=O)O)c2ccccc2)nc(C#N)c2c1CCCC2 71328738 FNWNPSVHUSCSNM-SFHVURJKSA-N 352.459 4.312 30 40 FIEB CCCNc1ccc(C#N)cc1NS(=O)(=O)c1ccc2c(c1)CCCC2 78899979 JODILOJRBAERPD-UHFFFAOYSA-N 369.490 4.060 30 40 FIEB Cc1ccc(/N=C\c2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1 100138596 YEANBOHNSJAYHB-ONUIUJJFSA-N 372.468 4.483 30 40 FIEB C=CCOc1cccc(NC(=S)NCCCN(C)c2ccccc2)c1 225748818 FRQFJPWTHLALMQ-UHFFFAOYSA-N 355.507 4.064 30 40 FIEB CC(=O)c1ccc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)cc1 409105090 JCXFVNYXHJBPGD-CAOOACKPSA-N 363.167 4.016 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(F)cc2)C[C@H]1c1ccc(F)cc1 4119630 NUWVCJVPVQOPRQ-ICSRJNTNSA-N 356.368 4.284 30 40 FIEB Cc1ccc2cc(C#N)c(SCC(=O)N3CCc4ccccc43)nc2c1 4848988 BKMTYOCSSJNJIO-UHFFFAOYSA-N 359.454 4.096 30 40 FIEB O/N=C1\CCCCCCCCCC[C@H]1N1CCN(c2ccccn2)CC1 5605184 CFTAIAJNRDHVAS-PAYQVUOSSA-N 358.530 4.317 30 40 FIEB CCCCCOc1ccccc1/C=N/n1c(S)nnc1C(F)(F)F 6067198 JODGBBHFCCXAHH-VXLYETTFSA-N 358.389 4.037 30 40 FIEB C=CCSc1ccccc1NC(=O)c1ccc(N2CCOC2=O)cc1 36392772 DVMWPMFHRKWXOA-UHFFFAOYSA-N 354.431 4.174 30 40 FIEB CC1(C)[C@H]2CC[C@@]1(C)C(=O)/C2=C\OC(=O)/C=C1\C(=O)[C@]2(C)CC[C@@H]1C2(C)C 100362733 PWHGOAZEQDQCIY-WNUCABTOSA-N 370.489 4.390 30 40 FIEB N#C[C@H]1[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 225666395 YCPCKJAXKFKTQH-ARFHVFGLSA-N 352.242 4.073 30 40 FIEB CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1 820516 CJMMZSRUBYIPBE-LJQANCHMSA-N 353.462 4.242 30 40 FIEB O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1c[nH]c2ccccc12 1221241 FZJXEPBOAWRULT-UHFFFAOYSA-N 364.408 4.427 30 40 FIEB C#CCn1c([C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)nc2ccccc21 4033575 DQCKSQRQVOWNQX-OAHLLOKOSA-N 363.848 4.152 30 40 FIEB S=C(N/N=C(\c1ccccc1)c1ccccn1)Nc1ccc(Cl)cc1 8665426 ZCNFOECEQFCKQH-PTGBLXJZSA-N 366.877 4.474 30 40 FIEB N#Cc1cnc2c(-c3ccc(Cl)cc3)c(Cc3ccccc3)nn2c1N 8730746 PJCRSPKJNTYUJQ-UHFFFAOYSA-N 359.820 4.094 30 40 FIEB CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C\c1cccc(OC)c1)C2=O 9419087 FUHQLVLAWVJSEV-UNOMPAQXSA-N 367.401 4.152 30 40 FIEB C[C@H]1CC(=O)C2=C(C1)Oc1c(c(=O)[nH]c3ccccc13)[C@H]2c1ccccc1 9926830 VUITYKVCLXDPEI-DJJJIMSYSA-N 357.409 4.306 30 40 FIEB Cc1ccc(-n2cnnc2SCc2cn3ccccc3c2C#N)c(C)c1 10193415 ITHCBODZDVVERM-UHFFFAOYSA-N 359.458 4.301 30 40 FIEB CCCCN(C)Cc1c(O)ccc2c1O/C(=C\c1ccccc1OC)C2=O 20519173 IKEXAPABFJLYGD-MOSHPQCFSA-N 367.445 4.249 30 40 FIEB N#Cc1ccccc1-c1ccc(Cn2nc(-c3cccs3)oc2=O)cc1 23487392 JSYGHKZTOOPALZ-UHFFFAOYSA-N 359.410 4.152 30 40 FIEB CCN(CC)[C@@H](CNC(=O)Nc1ccc(C#N)cc1)c1ccccc1Cl 32779398 WIIHNDNULWCDMJ-IBGZPJMESA-N 370.884 4.416 30 40 FIEB C=CCN(CCc1ccccc1)C(=O)c1ccn(-c2ccccc2Cl)n1 60247228 OOUKZUFEGPJIEE-UHFFFAOYSA-N 365.864 4.397 30 40 FIEB O=C(NC(=O)c1c(F)cccc1F)ON=C/C(Cl)=C/c1ccccc1 575626859 CEKDMJXFFHAJQZ-YNNJCDJHSA-N 364.735 4.097 30 40 FIEB Cc1ccc2nc(SCC(=O)N(C)C3CCCCC3)c(C#N)cc2c1 1222326 SAIBECJDLOTVGV-UHFFFAOYSA-N 353.491 4.298 30 40 FIEB CCCc1nc(OCC(=O)c2ccccc2)c(C#N)c2c1COC(C)(C)C2 2273652 XXEKOYWHHZUQKG-UHFFFAOYSA-N 364.445 4.019 30 40 FIEB C=CCn1c(Sc2ccc([N+](=O)[O-])cc2C#N)nnc1C1CCCCC1 3362429 STUZIEFSKPZRJL-UHFFFAOYSA-N 369.450 4.443 30 40 FIEB CCCC[C@@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccccc1[N+](=O)[O-] 4626443 VRPWAJRKALCHQX-RDTXWAMCSA-N 374.437 4.096 30 40 FIEB Cc1ccc(-c2nc(SCc3ccc(F)cc3)[nH]c(=O)c2C#N)cc1 5238279 RTZHRUUJHFRQTI-UHFFFAOYSA-N 351.406 4.048 30 40 FIEB N#C[C@H](C1=NC(=O)CS1)[C@H](CC(=O)c1cccs1)c1ccc(F)cc1 5341161 NJPPKTXZBNARBI-KGLIPLIRSA-N 372.446 4.055 30 40 FIEB Cc1ccc(C(=O)C2=C3NC(=O)c4ccccc4N3Cc3ccccc32)cc1 5850970 FZOWWGGSRZFVRX-UHFFFAOYSA-N 366.420 4.310 30 40 FIEB CCCOc1ccc(NC(=O)COc2ccc(C#N)cc2)cc1OCCC 5937178 XXBVSLIOIQTSOY-UHFFFAOYSA-N 368.433 4.153 30 40 FIEB COc1ccc(C(=O)/C=C/c2c(C)nn(-c3ccccc3)c2C)cc1OC 7744494 NKJOMLLBLABWES-VAWYXSNFSA-N 362.429 4.402 30 40 FIEB CC(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@@H]3c2ccco2)cc1 9109544 KMHZNNHFQPXVGB-IIBYNOLFSA-N 374.444 4.410 30 40 FIEB CC1(C)Cc2nc(NC(=O)Nc3ccc(Cl)cc3)c(C#N)cc2CO1 9422603 IWUPUIMDZGNMCD-UHFFFAOYSA-N 356.813 4.102 30 40 FIEB N#Cc1c(-c2cccs2)nc2cc(-c3ccc(Cl)cc3)nn2c1N 17173073 CDXAVRMETKKTCH-UHFFFAOYSA-N 351.822 4.232 30 40 FIEB CN(Cc1ccccc1)Cc1c(O)ccc2c1O/C(=C\c1cccnc1)C2=O 20519355 SZFZDBMNGLIXNL-MTJSOVHGSA-N 372.424 4.035 30 40 FIEB O=C1/C(=N\Nc2ccc(F)cc2)C(c2ccccc2)=NN1c1ccccc1 100507773 TUJFRZARPRKWLS-GFMRDNFCSA-N 358.376 4.045 30 40 FIEB Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1B1OC(C)(C)C(C)(C)O1 169743808 ZUROXICAUJQTIB-UHFFFAOYSA-N 369.217 4.437 30 40 FIEB CC[C@@H](C)Oc1ccccc1/C=N/Nc1nc(C)cc(COC)c1C#N 408601163 IVKRJRRLSMXTRN-HJGVYBFFSA-N 352.438 4.031 30 40 FIEB COc1ccc(/C=N/N=C(/C(=O)c2ccccc2)c2ccccc2)c(OC)c1 3261241 XOHNSORGVNIBKU-KIGCCDCASA-N 372.424 4.410 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccs2)C[C@H]1c1ccc(OCC)cc1 4119639 JVRJRDKBIZRHET-PXNSSMCTSA-N 370.470 4.466 30 40 FIEB Cc1ccc(-c2nc3n(n2)[C@H](c2ccccc2F)C2=C(CCCC2=O)N3)cc1 4279827 RXFDNYGQLUARIJ-HXUWFJFHSA-N 374.419 4.415 30 40 FIEB COc1ccc2nc(/N=N/c3ccc4c(c3O)C(=O)C=CC4=O)sc2c1 4535104 PVGCYHRJXDJFFR-QZQOTICOSA-N 365.370 4.361 30 40 FIEB COc1cc(/C=C/c2cc(C(=O)O)c3ccccc3n2)ccc1OCC#N 5825161 GSRUTBQLCIQAQY-SOFGYWHQSA-N 360.369 4.014 30 40 FIEB O=[N+]([O-])c1cc(/C=N/c2cccc(Cl)c2)ccc1Sc1nnc[nH]1 6480385 ZDCCMJRMLCJSDY-CAOOACKPSA-N 359.798 4.268 30 40 FIEB CCOc1cc(/C=C2/S/C(=N/c3ccc(C)cc3)N(C)C2=O)ccc1O 12469565 FSVQGYUPCMIJDI-LLPDMMGZSA-N 368.458 4.333 30 40 FIEB COc1cc(C(=O)/C=C/c2cc(Cl)c3c(c2)OCCCO3)ccc1O 18064281 YPYPNPQFGWYDIX-HWKANZROSA-N 360.793 4.112 30 40 FIEB COc1cccc(/N=C2/N=C(O)S/C2=C\c2cccc3nccnc23)c1 72400417 OABFNFSQYKLSLA-YBEGLDIGSA-N 362.414 4.370 30 40 FIEB O=C1C=CC=C/C1=C\Nc1oc2ccccc2c1N/C=C1\C=CC=CC1=O 100798267 IKTDMSCNTGLMJM-WXUKJITCSA-N 356.381 4.415 30 40 FIEB COc1ccc(F)cc1C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 101473579 WZDBQNGXHPLSAO-UHFFFAOYSA-N 372.158 4.485 30 40 FIEB CC1(C)CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1c(Cl)cccc1Cl 12348882 SFTXVHKGSDZOLM-HNNXBMFYSA-N 363.248 4.243 30 40 FIEB N#Cc1ccc(NC(=O)c2cc(Br)ccc2F)cc1Cl 15597412 KWBIKWMDGOSYGT-UHFFFAOYSA-N 353.578 4.366 30 40 FIEB C[C@@](O)(C#CC1(O)C2CC3CC(C2)CC1C3)C12CC3CC(CC(C3)C1)C2 17207818 XMIJNSZEALGMGN-PJTPXRGVSA-N 354.534 4.144 30 40 FIEB C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)c1ccc(C#N)cc1 26121341 OIUFJNXPFJWFEA-MRXNPFEDSA-N 369.424 4.302 30 40 FIEB COc1ccc(Oc2ccc(/N=C/C(Cl)=C(\Cl)C(=O)O)cn2)cc1 2555987 WXNQMVWOXVTWIR-DSIDDHCYSA-N 367.188 4.359 30 40 FIEB O=C1C[C@H](c2cccs2)CC2=C1[C@@H](/C=C/c1ccccc1)n1ncnc1N2 4435955 OBOPHFVPGNOROT-PJZFAXFVSA-N 374.469 4.420 30 40 FIEB N#CCSc1nnc(-c2ccccc2Br)n1-c1ccccc1 4959636 HDNYGYXTWQOOHZ-UHFFFAOYSA-N 371.263 4.312 30 40 FIEB C=C(C)COc1c(/C=C2/N=C(c3cccs3)OC2=O)cccc1OC 4997875 FFYLIKNLPJFVIF-GXDHUFHOSA-N 355.415 4.056 30 40 FIEB Cc1c(C(=O)OCC(=O)Nc2cc(Cl)ccc2C#N)oc2ccccc12 5310900 JZIGWLPDTJPRKE-UHFFFAOYSA-N 368.776 4.062 30 40 FIEB CC1(C)CC(NC(=O)c2ccc(C#Cc3ccccc3)cc2)CC(C)(C)N1 5464879 OVPMGXHKPSZPGU-UHFFFAOYSA-N 360.501 4.125 30 40 FIEB CC(C)(C)OC(=O)Nc1ccc(C(=O)OCc2ccccc2C#N)cc1 7548441 SQSWVOMDCOCWEE-UHFFFAOYSA-N 352.390 4.262 30 40 FIEB N#Cc1ccccc1-c1ccc(CSc2nc(N)c(C#N)cc2C#N)cc1 12862913 BUNHPIWGTIWJBK-UHFFFAOYSA-N 367.437 4.238 30 40 FIEB C=CCc1cc(C(=O)NCCSCc2ccccc2F)ccc1OC 13647375 CCPIEMYVWPRVBJ-UHFFFAOYSA-N 359.466 4.226 30 40 FIEB Cc1ccc(N(CCC#N)C(=O)CN2CCC[C@@H]2c2ccsc2)cc1 46089339 GTOGZPLPWGECAE-LJQANCHMSA-N 353.491 4.140 30 40 FIEB CCNC(=S)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1 58822786 VEKBGYHDIZFMKY-OEAKJJBVSA-N 363.486 4.237 30 40 FIEB Cc1cc(/C=N\c2ccc(I)cc2)cc(C)c1O 105576441 GWQPMBSMQAJOBT-MFOYZWKCSA-N 351.187 4.364 30 40 FIEB C/C(=N\OC(=O)c1c(-c2ccccc2Cl)noc1C)c1ccncc1 879613 DYXGYUKHSBMBCB-SRZZPIQSSA-N 355.781 4.279 30 40 FIEB CCN/C(S)=N/N=C/c1ccc(OCc2cccc(C)c2)c(OCC)c1 1969091 LPTFELQKJOVHLB-LPYMAVHISA-N 371.506 4.202 30 40 FIEB CCCCCCCCCOc1ccc(/C=C2\C(=O)NC(=O)N=C2O)cc1 2236587 LDNVDNNGBCAHQZ-UHFFFAOYSA-N 358.438 4.406 30 40 FIEB C[C@]12CC3(SCCS3)C3=C(CCCC3=O)N1CCc1ccccc12 4064835 DAILSGQYKNVYKT-LJQANCHMSA-N 357.544 4.347 30 40 FIEB biogenic CCC(CC)NC(=O)CSc1cc(C)c(C#N)c2nc3ccccc3n12 4269537 LNTMZIJAEOEYPX-UHFFFAOYSA-N 366.490 4.065 30 40 FIEB COc1ccc(-c2nc(N/N=C/c3ccc(O)c(OC)c3)sc2C)cc1 4677077 SZXFKBCBZGXRME-RGVLZGJSSA-N 369.446 4.287 30 40 FIEB C=CCNCc1cc(Br)c(OCc2ccccc2)c(OC)c1 8470300 AISASJBNBINZSS-UHFFFAOYSA-N 362.267 4.312 30 40 FIEB C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCC(c2c[nH]c3ccccc23)CC1 10140467 FXHMYQLSKARHOX-INIZCTEOSA-N 372.472 4.246 30 40 FIEB N#Cc1ccc([C@H]2CC(O)=Nc3c(C(=O)O)cn(-c4ccccc4)c32)cc1 40287609 MIORHTWWPIWGEE-MRXNPFEDSA-N 357.369 4.171 30 40 FIEB Cc1n[nH]c(NC=C2C(=O)CC(C)(C)CC2=O)c1-c1ccc(Cl)cc1 100125647 YEDMCQSYEAXODW-UHFFFAOYSA-N 357.841 4.293 30 40 FIEB COc1ccc(C(=O)/C(=C/Nc2ccc(C)cc2)C(=O)C(F)(F)F)cc1 100862318 PUJAIUHPFIDPGS-WJDWOHSUSA-N 363.335 4.314 30 40 FIEB CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]21C 256444787 MTSLFKWJINJVBO-OGDHSWOFSA-N 358.478 4.019 30 40 FIEB Cc1cc(/C=N/OCc2ccccc2C#N)c(C)n1-c1ccc2c(c1)OCO2 408592271 MBQBWJWPQSEDMW-WYMPLXKRSA-N 373.412 4.245 30 40 FIEB Cc1ccc(-n2cccc2/C=N/Nc2ncccc2[N+](=O)[O-])cc1Cl 409018065 XFDTWMKQKHYSQY-RGVLZGJSSA-N 355.785 4.188 30 40 FIEB COc1ccc2nc(SCC(=O)OC3CCCCC3)c(C#N)cc2c1 917574 IUHYMMCPNAIQQI-UHFFFAOYSA-N 356.447 4.083 30 40 FIEB Cc1ccccc1[C@H]1C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)Nc2ncnn21 4782825 OYYMJMKWGYHMLF-VFNWGFHPSA-N 374.419 4.141 30 40 FIEB O=C(O)c1ccc(-c2cccc(/N=C/c3cc([N+](=O)[O-])ccc3O)c2)o1 5568418 PWTGXMUVWKANGV-VXLYETTFSA-N 352.302 4.009 30 40 FIEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1ccc(Cl)cc1Cl 7667502 SVNPJSWECRVFFO-UHFFFAOYSA-N 374.227 4.487 30 40 FIEB Cc1cccc(COc2ccccc2/C=N\Nc2ccc([N+](=O)[O-])cn2)c1 30809251 KWYHGBQNNUNVRC-UUYOSTAYSA-N 362.389 4.323 30 40 FIEB N=C([C@@H](F)C(=N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 218165197 MQMJURQESQCDBS-SFOWXEAESA-N 374.100 4.395 30 40 FIEB C#CCOc1ccc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1OC 408555547 GIUVNXUXFWUWES-IBGZPJMESA-N 373.861 4.139 30 40 FIEB CC(C)c1ccc2c(c1)/C(=N/N=c1/sc3ccccc3n1C)C(O)=N2 3325790 RNBAGRKINFYBLC-ZBJSNUHESA-N 350.447 4.270 30 40 FIEB C=C(C)COc1ccc2cc(-c3ccc(OC)cc3OC)c(=O)oc2c1 4085231 VUISACKHMQZIIJ-UHFFFAOYSA-N 352.386 4.432 30 40 FIEB biogenic O=C(O)c1cc(NN=C2CCN(Cc3ccccc3)CC2)ccc1Cl 4933423 OTKRXPNNFDCFLY-UHFFFAOYSA-N 357.841 4.102 30 40 FIEB C=CCc1c(C)nc2c(-c3ccccc3)cnn2c1NCCCn1ccnc1 5207411 IOFHHVXPJBJORH-UHFFFAOYSA-N 372.476 4.132 30 40 FIEB COc1cc(/C=C/C(=O)c2ccc(Br)cc2)ccc1OCC#N 6441224 HFWNAIRKEUJHRT-KRXBUXKQSA-N 372.218 4.256 30 40 FIEB COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3onc(C)c32)c(OC)c1 13689075 PTUPKMBMEUFTFF-SFHVURJKSA-N 368.433 4.201 30 40 FIEB C/C(=N/N1CCN(Cc2cccc3ccccc23)CC1)c1ccccc1O 19791117 ZITRVRHEEJBNHL-MOHJPFBDSA-N 359.473 4.087 30 40 FIEB Cc1ccccc1-c1nnn(Cc2ccc(-c3ccccc3C#N)cc2)n1 22409593 ODHXFXTWACXUEA-UHFFFAOYSA-N 351.413 4.236 30 40 FIEB N#Cc1cccc(Cl)c1NCC1(c2ccc3c(c2)OCO3)CCOCC1 78873960 MCBWABWGGAAOSA-UHFFFAOYSA-N 370.836 4.101 30 40 FIEB O=C(Nc1cc(Cl)cc(Cl)c1)O[C@@H]1C[C@H]2C[C@@H]1[C@H]1C[C@H]3O[C@@H]3[C@H]21 103894605 SCMSVYPLOIDEGK-VRVDNRDISA-N 354.233 4.354 30 40 FIEB CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(Cl)cc1OC 408931422 LJCAVORWMPAXPN-HYARGMPZSA-N 374.868 4.335 30 40 FIEB CC1(C)OB(C2=CC[C@](CF)(C(=O)OCc3ccccc3)CC2)OC1(C)C 710676961 VTMWAQPRYDEGRP-NRFANRHFSA-N 374.261 4.427 30 40 FIEB Cc1cccn2c(=O)c(/C=N/c3ccccc3)c(NCc3ccccc3)nc12 1958853 NJFLISZOFFENPS-LFVJCYFKSA-N 368.440 4.366 30 40 FIEB Cc1ccc2cc(C#N)c(SCC(=O)N3CCC[C@@H](C)C3)nc2c1C 4849071 PWEXXYNRJJTDDN-CYBMUJFWSA-N 353.491 4.074 30 40 FIEB C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13 33830019 KTASKRCJBXZGMH-WMYNZDBHSA-N 371.565 4.103 30 40 FIEB biogenic,in-vitro CCN1C/C(=C/c2ccc(C#N)cc2)c2nc3ccccc3c(C(=O)O)c2C1 35341130 MDSKYJCEKRCWKQ-BOPFTXTBSA-N 369.424 4.181 30 40 FIEB C[C@]12CC[C@H]3[C@H]([C@@H]1[C@@H]1C[C@@H]1[C@@]21CC[C@@H](O)O1)[C@H]1C[C@H]1C1=CC(=O)CC[C@@]13C 77293673 OZHJDAVVZBEUJC-XWPNLSEMSA-N 368.517 4.098 30 40 FIEB in-vitro O=C1/C(=N/Nc2ccc(F)cc2)C(c2ccccc2)=NN1c1ccccc1 101499891 TUJFRZARPRKWLS-HIXSDJFHSA-N 358.376 4.045 30 40 FIEB CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)[C@@H](C)C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C 118929601 CTXGUGSLVSMAHY-CMSYHAJWSA-N 362.485 4.032 30 40 FIEB C#CCN1C(=O)S/C(=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3C)C1=O 208220695 IZDIPXQBHZIIHF-GPLLRDDGSA-N 354.475 4.078 30 40 FIEB COc1ccc(-c2nc(C#N)c(NCc3ccccc3Cl)o2)cc1OC 2440500 YSMQLDBKVHIHFD-UHFFFAOYSA-N 369.808 4.496 30 40 FIEB CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1Cl 3042634 ACYPXPDLYKZAKY-QGZVFWFLSA-N 359.853 4.261 30 40 FIEB COc1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC 5361096 STLISAPEMKTBAO-AWQFTUOYSA-N 369.299 4.077 30 40 FIEB COc1cccc(/C=C/C(=O)Nc2ccc(CC#N)cc2)c1OC(F)F 8126725 DTRGMAFHONFWMQ-JXMROGBWSA-N 358.344 4.015 30 40 FIEB C=CCOc1ccc(C(=O)NCCc2csc(-c3ccccc3)n2)cc1 27992566 TWTPJRBAEWXUMJ-UHFFFAOYSA-N 364.470 4.347 30 40 FIEB COc1ccc(C)cc1C(=O)/C(=C\c1ccc(SC)cc1)CC(=O)O 33674423 XZZBWXZMMAYWKE-PTNGSMBKSA-N 356.443 4.467 30 40 FIEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)C/C=N\O 118924048 WSHRNOHWOVLOQJ-ASNJFXQPSA-N 359.510 4.346 30 40 FIEB C=CCSc1nnc(NC(=O)[C@H](CC)Oc2cc(C)ccc2C)s1 224989439 UCKICOXFNZXIPI-ZDUSSCGKSA-N 363.508 4.229 30 40 FIEB COc1ccc(C2(C(=O)Nc3ccc(OC)cc3C#N)CCCCC2)cc1 225768431 QZFDFRFWYJHRCG-UHFFFAOYSA-N 364.445 4.416 30 40 FIEB CCn1c(N=C(O)[C@@H]2C[C@]23CCOc2ccccc23)nc2cc(C#N)ccc21 328823845 RXKWTMRKBWZDBJ-AOMKIAJQSA-N 372.428 4.256 30 40 FIEB Cc1cccc(Cn2cc(/C=N/n3c(C)nnc3S)c3ccccc32)c1 408860614 ACBUFVXLYHISBH-SRZZPIQSSA-N 361.474 4.069 30 40 FIEB C=CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCc1ccccn1 1473010 LGWYEANFBBKJQU-UHFFFAOYSA-N 353.429 4.403 30 40 FIEB CC(C)[C@@]12CCC(=O)C=C1CCC[C@@H]2OC(=O)c1ccccc1C(=O)O 5124587 PCHQKPBVBNDDJB-RXVVDRJESA-N 356.418 4.026 30 40 FIEB COc1ccc(/C=C/C(=O)c2cccc(NC(C)=O)c2)cc1OC(F)F 7744250 GWVUNGBPANQDCL-SOFGYWHQSA-N 361.344 4.151 30 40 FIEB N#Cc1cccnc1SCc1cc(=O)oc2cc(Br)ccc12 8745080 GYDJZLWLXPWDAY-UHFFFAOYSA-N 373.231 4.114 30 40 FIEB CCN1C=C(C(=O)/C=C/c2ccc(F)cc2)[C@@H](c2ccc(C)cc2)NC1=O 12391500 HZAHVTFXFIKYQT-CDDKBXLESA-N 364.420 4.387 30 40 FIEB COc1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)ccc1C 24982493 AFFQZCOIOYEOFO-UHFFFAOYSA-N 363.442 4.175 30 40 FIEB C=CCN(C(=O)c1oc2c(c1C)C(=O)CCC2)c1nc2c(s1)CCCC2 40089907 YOIYMDBSPOOYIZ-UHFFFAOYSA-N 370.474 4.275 30 40 FIEB C=CCSc1nc2n(n1)[C@H](c1ccc(OC)cc1)C1=C(O)CCCC1=N2 101324179 ZVZCATIMXHVREJ-QGZVFWFLSA-N 368.462 4.236 30 40 FIEB Cc1c(/N=C2\S/C(=C\c3ccc(F)cc3)C(=O)N2C)cccc1C(=O)O 408933386 JEFJRHMYJRZOTG-STCVOBJUSA-N 370.405 4.066 30 40 FIEB CC1(C)OB(C2CCN(Cc3cncc4ccccc34)CC2)OC1(C)C 1776007467 FGUAVWIKTXOWOJ-UHFFFAOYSA-N 352.287 4.293 30 40 FIEB C=CCOC(=O)/C(=C/c1cccc2ccccc12)NC(=O)c1ccccc1 2250498 YCCJZCTZUZBKPQ-PGMHBOJBSA-N 357.409 4.340 30 40 FIEB O=C(/C=C/c1cccc(Br)c1)c1cc2ccccc2oc1=O 3911093 KNMHRSXDMNYIGW-CMDGGOBGSA-N 355.187 4.452 30 40 FIEB COCCN1C(=O)/C(=C\c2ccsc2)S/C1=N\c1ccc(OC)cc1 4526118 KZPLTVVLEIPYBM-BDYZYUDZSA-N 374.487 4.007 30 40 FIEB COc1ccccc1-n1c(SCCC#N)nc2cc(Cl)ccc2c1=O 5080660 BQLDILQTOSZYHD-UHFFFAOYSA-N 371.849 4.053 30 40 FIEB CC(C)[C@]12CCC(=O)C=C1CCC[C@H]2OC(=O)c1ccccc1C(=O)O 5124588 PCHQKPBVBNDDJB-WIYYLYMNSA-N 356.418 4.026 30 40 FIEB C=CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccc1F 6158530 LRTABLHAZLPPEV-UHFFFAOYSA-N 368.437 4.001 30 40 FIEB CCOc1ccc([C@@H](C)NC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1 11173257 VLMNLOBZSUTTCC-CQSZACIVSA-N 363.417 4.140 30 40 FIEB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/Nc1ccc([N+](=O)[O-])cc1 12652505 HGVCIHHYIXDSOK-YBFXNURJSA-N 355.785 4.188 30 40 FIEB N#CCCSc1ccccc1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 17177927 FQVAHYMRPROTKE-FLIBITNWSA-N 353.403 4.252 30 40 FIEB O=C(COc1ccc(Cl)cc1)Nc1cccc(C#Cc2ccccn2)c1 40049494 YFIGGLRVYRDICM-UHFFFAOYSA-N 362.816 4.152 30 40 FIEB O=C(/C=C/c1ccccc1OC(F)F)c1cccc(N2CCOC2=O)c1 58423619 NWPSSEMACJZZPG-CMDGGOBGSA-N 359.328 4.141 30 40 FIEB CC(C)(C)OC(=O)Nc1cccc(OCCOc2ccc(C#N)cc2)c1 84240852 YUFPLQBSHDMAPH-UHFFFAOYSA-N 354.406 4.363 30 40 FIEB CN1CCc2nc(Cl)c(C#N)c(-c3ccc(Br)cc3)c2C1 96511130 JQAQMYNQTVGESK-UHFFFAOYSA-N 362.658 4.024 30 40 FIEB CCCOc1ccccc1/C=C1\SC(=Nc2ccc(OC)cc2)NC1=O 408600816 GJEGWUPPDNQHHC-AQTBWJFISA-N 368.458 4.376 30 40 FIEB CC[C@@H](C)Oc1ccccc1/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408604681 WBVPPOHZBIYEGL-MBNTZHJCSA-N 358.354 4.126 30 40 FIEB COc1ccc(/N=C\c2ccc(OCC(=O)NC(C)C)cc2)cc1Cl 408806861 NKYPSFPBFOLHBH-NHDPSOOVSA-N 360.841 4.003 30 40 FIEB C#CCOc1ccccc1/C=C1\C(=O)N(c2ccccc2)N=C1C(F)(F)F 408969549 PZOYNJSQLVRFEW-SSZFMOIBSA-N 370.330 4.047 30 40 FIEB O=C(/C=C\c1ccc2c(c1)OCO2)c1ccc(NC(=O)c2ccco2)cc1 4832653 GWOHVBOYOIQSQF-OQFOIZHKSA-N 361.353 4.157 30 40 FIEB N#Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)cc1 12871375 OJPOHRNKXRLHRZ-UHFFFAOYSA-N 356.307 4.015 30 40 FIEB C[C@H](Nc1ccc(F)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 12993928 LXPSMKJNHVSPHR-LBPRGKRZSA-N 357.454 4.467 30 40 FIEB O=C(/C=C/c1ccc(Cl)cc1)/N=C1\N=C2N=CC=CN2Cc2ccccc21 15906104 LSIIGUNUZHUMBE-MOPFTHDSSA-N 374.831 4.096 30 40 FIEB Cc1nc2n(n1)[C@H](c1ccc(Cl)cc1Cl)C1=C(C[C@H](C)CC1=O)N2 22608088 OKBUKLSDQJYCIF-ZKANADHPSA-N 363.248 4.161 30 40 FIEB CC(C)(C)OC(=O)n1cc(C(=O)CC#N)c2c(Br)cccc21 35605876 ZURJGGAMMLKXNN-UHFFFAOYSA-N 363.211 4.283 30 40 FIEB CCCCS(=O)(=O)/N=C(\O)CCc1ncc(-c2ccccc2Cl)o1 40129936 CTSCKRINGIAURY-UHFFFAOYSA-N 370.858 4.014 30 40 FIEB COc1cccc(Oc2c(N)cc(C#N)n2Cc2ccc(Cl)cc2)c1 225884064 KXGWNPFMQBGSHF-UHFFFAOYSA-N 353.809 4.445 30 40 FIEB COc1ccc(/C=C(/C(=O)c2ccc(OC)cc2)C(=O)C(F)(F)F)cc1 409365490 XLQOKHLIIWUGFC-WJDWOHSUSA-N 364.319 4.102 30 40 FIEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1Cl 2055082 RUAXDJSLCHBUCX-GOSISDBHSA-N 359.853 4.261 30 40 FIEB COc1cccc(-c2ccc(C#N)c(OC(=O)c3ccc(F)cc3F)n2)c1 3128374 PZDSWKVSYCROIM-UHFFFAOYSA-N 366.323 4.126 30 40 FIEB CN(CC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1ccc(F)cc1 3588401 URLRQOUILPGYJB-UHFFFAOYSA-N 371.481 4.098 30 40 FIEB O=C(Oc1ccc(/C=N/Nc2nc3ccccc3s2)cc1)c1cccnc1 5258556 CNTPVZWAKFIDGA-WSDLNYQXSA-N 374.425 4.357 30 40 FIEB N#Cc1ccc(Cl)cc1NC(=O)CSc1ccc2ccccc2n1 5627371 WTAKFWCPKSDICS-UHFFFAOYSA-N 353.834 4.491 30 40 FIEB Cc1cc(COC(=O)c2ccccc2Sc2ccccc2C#N)no1 7817630 HEAYXEATQZCCHM-UHFFFAOYSA-N 350.399 4.363 30 40 FIEB O=S(=O)(/N=C(\Nc1ccccc1F)c1ccccc1)c1ccccc1 18189330 GNSINSWZAJWXBB-UHFFFAOYSA-N 354.406 4.073 30 40 FIEB COc1ccc(-c2c(C#N)c(N)nc3c2C[C@@H](C(C)(C)C)CC3)cc1OC 19866276 LTOVIYODGZOZSC-AWEZNQCLSA-N 365.477 4.371 30 40 FIEB C=CCN(C(=O)c1ccc(OCC)c(OC)c1)c1nc2c(s1)CCCC2 21285766 PWQHECMNQLIBES-UHFFFAOYSA-N 372.490 4.262 30 40 FIEB Cc1ccc(Cn2nc(C)c3cc(C(=O)OCCCC#N)sc32)cc1 21730438 CBZRPCYHEQENOD-UHFFFAOYSA-N 353.447 4.224 30 40 FIEB Cc1nc(SC[C@H]2CCCCO2)c(C#N)cc1C(=O)Nc1ccccc1 22132818 MGRGGSXTFPUFNZ-QGZVFWFLSA-N 367.474 4.175 30 40 FIEB C=C(C)COc1cccc(C(=O)Nc2ccccc2C(=O)NCCCC)c1 219783273 LCHVMVKZZWTDGK-UHFFFAOYSA-N 366.461 4.424 30 40 FIEB Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)Nc1ccc(C#N)c(F)c1 571091870 GQPZDHSYAVOFAM-KRWDZBQOSA-N 355.417 4.187 30 40 FIEB Cc1cc(C)c2cc(C#N)c(SCC(=O)NC3CCCCC3)nc2c1 1354328 XYRMPPYBNAEJRX-UHFFFAOYSA-N 353.491 4.264 30 40 FIEB CCc1ccc(/N=C(/NC(=O)c2ccccc2)Nc2nc(C)cc(C)n2)cc1 2268325 AAEKBMJOLYPGEG-UHFFFAOYSA-N 373.460 4.185 30 40 FIEB CCCC(=O)Nc1ccc(Cl)c(/N=C/c2cccc([N+](=O)[O-])c2O)c1 6263834 JSKAEGHBILUTRI-VXLYETTFSA-N 361.785 4.443 30 40 FIEB CCCOc1cccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)c1 19972683 NJNIIRHVJMIRPX-UHFFFAOYSA-N 351.446 4.176 30 40 FIEB O=C(O)COc1ccc(/C=C\C(=O)c2ccc(Cl)c(Cl)c2)cc1 83328356 HYBWERCTQJOGFB-BAQGIRSFSA-N 351.185 4.353 30 40 FIEB CCNC(=S)N/N=C/c1cc(C)n(-c2cccc3ccccc23)c1C 107989058 ZEJONEPWLOFBMO-LPYMAVHISA-N 350.491 4.065 30 40 FIEB CCCOC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 169795744 AEOUQJDXCUBINJ-UHFFFAOYSA-N 350.177 4.408 30 40 FIEB Cc1ccc(CSc2nc(N)c(C#N)c(Cc3ccc(F)cc3)n2)cc1 223679614 VNQJBMVXYLUYKG-UHFFFAOYSA-N 364.449 4.261 30 40 FIEB Cc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(C#N)cc1 408590745 HSLKJIUOAXMSLW-YDZHTSKRSA-N 374.400 4.425 30 40 FIEB CCN(CC)c1ccc(/N=C2\C=C(NC(C)=O)C(=O)C(Cl)=C2C)c(C)c1 5139398 HYINZODUJDSJMX-HAVVHWLPSA-N 373.884 4.029 30 40 FIEB N#Cc1ccccc1-c1ccc(Cn2cccc(C(F)(F)F)c2=O)cc1 12952765 RWKXBGIJMQIHKS-UHFFFAOYSA-N 354.331 4.454 30 40 FIEB CCc1ccc(/C=C2\S/C(=N\c3ccccc3)N(CCOC)C2=O)cc1 14011333 ODSRQKSHWIFJEV-HGRLKPHYSA-N 366.486 4.499 30 40 FIEB CCn1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cn1 17075598 UHVJXJZMFGLACK-UHFFFAOYSA-N 368.477 4.303 30 40 FIEB Cc1ccc(S(=O)(=O)NN=C2[C@@H](C)CC(C(C)(C)C)C[C@H]2C)cc1 18168265 FGSJBNDKHPRTBI-XYPWUTKMSA-N 350.528 4.358 30 40 FIEB CN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\Cc1ccccc1 33286165 UQUFOLYQHTYSOZ-FRKBGCJLSA-N 367.499 4.159 30 40 FIEB CCOC(=O)/C(=N/Nc1cccc(C(F)(F)F)c1)N1[C@@H](C)CCC[C@@H]1C 33907030 WSFXGMIVBPXEMZ-SXYFACHFSA-N 371.403 4.257 30 40 FIEB CCCCCCCc1nc(C#N)c(N/N=C/c2ccc(C(=O)OC)cc2)o1 101411501 NTQDESDJEYBOET-HYARGMPZSA-N 368.437 4.292 30 40 FIEB CCN1C(=O)/C(=C\c2ccc(C(=O)O)cc2)S/C1=N/c1ccc(F)cc1 101754028 YNGOGOMEIVRRLM-XKOOYEHJSA-N 370.405 4.148 30 40 FIEB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N/c1ccc(Br)cc1 408740750 MFJJZIHXVPSPFZ-ZVCOJXFSSA-N 356.223 4.190 30 40 FIEB N#Cc1c(NC(=S)NC(=O)c2ccccc2)sc2c1CCCCCC2 2316366 VSXGWANRHZIZEE-UHFFFAOYSA-N 369.515 4.406 30 40 FIEB C[C@@H]1Cc2ccccc2N1C(=O)CO/N=C/c1ccc(Cl)cc1Cl 3353768 FWBQIPQULRNIMD-FZTAQKCPSA-N 363.244 4.322 30 40 FIEB COc1ccc(/C=N/Nc2ccc(Cl)c(Cl)c2)c(OC)c1OC 5163106 DIKSIACGKHPDRG-DJKKODMXSA-N 355.221 4.465 30 40 FIEB C=CCOc1ccc(/C=C2/SC(=S)N([C@@H](C)CC)C2=O)cc1OC 6004998 SEAWLBUCZHCPCH-JASJWYONSA-N 363.504 4.260 30 40 FIEB COC(=O)[C@H](C#N)c1nc2ccccc2nc1Oc1ccc(Cl)c(C)c1 21965669 XFCVWUIGVNFEQC-CYBMUJFWSA-N 367.792 4.164 30 40 FIEB O=C(O)C(=O)/C(=C/c1ccc(OC(F)F)cc1)c1ccc2ccccc2n1 32642024 JLKAWADELWEAGT-RVDMUPIBSA-N 369.323 4.031 30 40 FIEB C=CCn1c(SCCc2c(C)noc2C)nnc1-c1ccccc1F 89529247 LBVJMWCDWGZIQQ-UHFFFAOYSA-N 358.442 4.210 30 40 FIEB C=CCN(c1ccccc1Cl)S(=O)(=O)c1ccc(OCC)cc1 224581445 BCJQSYGNZOTNGZ-UHFFFAOYSA-N 351.855 4.120 30 40 FIEB Cc1ccc(C(=O)NC(=S)Nc2sc(C)c(C)c2C#N)cc1Cl 408627574 LVODZWIMSUXQRV-UHFFFAOYSA-N 363.895 4.325 30 40 FIEB O=C(c1c(F)c(F)c(F)c(F)c1F)C(F)(F)C(F)(F)C(F)(F)F 575358676 NQVADSQEXHQDON-UHFFFAOYSA-N 364.085 4.398 30 40 FIEB C=CCSc1nnc2c3c4c(sc3nc(SC)n12)C[C@@H](C)CC4 1837458 DLRVCGJAZYQCDZ-VIFPVBQESA-N 362.549 4.464 30 40 FIEB CCSc1nc2n(n1)[C@H](c1ccc(SC)cc1)C1=C(CCCC1=O)N2 4436148 SIYRNGZYYLZIEM-MRXNPFEDSA-N 372.519 4.134 30 40 FIEB Cc1sc(NC(=O)CCc2ccc(OC(F)F)cc2)c(C#N)c1C 12982054 DWVZUUNTFKITCK-UHFFFAOYSA-N 350.390 4.409 30 40 FIEB CCSc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C1=C(C[C@@H](C)CC1=O)N2 14165105 CWSDFBWQPZHYFU-QLJPJBMISA-N 374.897 4.312 30 40 FIEB COc1cc(/C=N/Nc2nc(-c3ccccc3)cs2)cc(OC)c1OC 23099151 FOHBQTBCTFEPQY-RGVLZGJSSA-N 369.446 4.282 30 40 FIEB Cc1cccc(OCCN2C(=O)/C(=N\Nc3ccccc3)c3ccccc32)c1 46084818 FVWPWGIBTFELCK-LVWGJNHUSA-N 371.440 4.237 30 40 FIEB N#C[C@@H](Cc1ccc(F)cc1F)OC(=O)c1csc(-c2ccccc2)n1 96013311 IJLFPPRGUXDYGK-OAHLLOKOSA-N 370.380 4.380 30 40 FIEB CC(=O)C1=C(Nc2ccccc2)C[C@](C)(O)[C@@H](C(C)=O)[C@@H]1c1ccccc1 102674731 FEAUWCGFLYHOEV-VJBWXMMDSA-N 363.457 4.085 30 40 FIEB C=C(F)C(=O)OC(C(F)(F)Cl)(C(F)(F)Cl)C(F)(F)Cl 169795904 YVLJNZYUCOTMFY-UHFFFAOYSA-N 357.436 4.246 30 40 FIEB Cc1cc(OCC(=O)Nc2ccc(CC#N)cc2)cc(C)c1Br 218834531 XYGXXUZZLDPWPD-UHFFFAOYSA-N 373.250 4.150 30 40 FIEB COc1cc(/C=N/O)c(Br)cc1OCc1ccccc1Cl 2763589 JOWOPESHAKPWCC-QGMBQPNBSA-N 370.630 4.498 30 40 FIEB N#Cc1c(NC(=O)c2ccc(Br)cc2F)sc2c1CCC2 4070197 DXMNNMDYVRHPCU-UHFFFAOYSA-N 365.227 4.262 30 40 FIEB CCc1c(C)c(C#N)c2nc3ccccc3n2c1N/N=C/c1ccncc1 5461935 LFNPLPGTAWGPLH-ZMOGYAJESA-N 354.417 4.071 30 40 FIEB CCOC(=O)/C(=N\Nc1ccccc1)c1cnc(Nc2ccccc2)s1 57472758 MOMBUZMSKOKJRF-QJOMJCCJSA-N 366.446 4.266 30 40 FIEB N#Cc1cn(CC(=O)NC2CCCCCC2)c2ccc(Br)cc12 59109365 FFJDTMHKWSJKDZ-UHFFFAOYSA-N 374.282 4.114 30 40 FIEB C=CCSc1nnc(NC(=O)CSCc2cc(C)cc(C)c2)s1 224796208 ZAVOPWDTIQNDSX-UHFFFAOYSA-N 365.549 4.305 30 40 FIEB C=CCSc1nnc(NC(=O)[C@@H](C)Oc2cccc3ccccc23)s1 225344011 CYLQJFMJPAGVEA-GFCCVEGCSA-N 371.487 4.375 30 40 FIEB CCOc1c(Cl)cc(/C=N/c2ccc(N3CCOCC3)cc2)cc1OC 408931704 PFCUGVOZJKMWBT-HYARGMPZSA-N 374.868 4.335 30 40 FIEB O=C1CCCC2=C1[C@@H](c1ccc(O)c(O)c1)c1c(ccc3ncccc13)N2 1440574 IWLIWTHFSYYKFK-FQEVSTJZSA-N 358.397 4.211 30 40 FIEB CCOc1ccc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1OC 4695477 JLHOJLGBAINVOJ-KRICTJEJSA-N 362.495 4.183 30 40 FIEB COc1cc(/C=N/n2c(C)n[nH]c2=S)ccc1OCc1ccc(C)cc1 5504452 AYDISCJYCHFWGB-RGVLZGJSSA-N 368.462 4.027 30 40 FIEB O=C(NC1(C#Cc2cncc3ccccc23)CCCCC1)c1cccnc1 12337478 BDUBSYHCVSWZPM-UHFFFAOYSA-N 355.441 4.114 30 40 FIEB COc1ccc(OC)c(C(=O)Nc2cccc(C#Cc3ccccc3)c2)c1 12778751 MQOMTPHQMBRVFG-UHFFFAOYSA-N 357.409 4.356 30 40 FIEB N#CC1(NC(=O)CSc2ccccc2Br)CCCCCC1 40050539 XGEUXDQXXNFVOS-UHFFFAOYSA-N 367.312 4.274 30 40 FIEB CC1(C)[C@H]2CC[C@@]1(C)[C@H](OCC[N+](C)(C)CC(=O)OCc1ccccc1)C2 100584003 WWSFBZLUMRJQDA-MZKRTTBSSA-N 374.545 4.038 30 40 FIEB COCCN1C(=O)/C(=C\c2ccc(C)cc2)S/C1=N\c1ccccc1 2783066 OHDMVKHXWCUVNO-HOOMGSECSA-N 352.459 4.245 30 40 FIEB C[P@@](=O)(O)O[C@H](c1ccccc1)C(F)(F)C(F)(F)OC(F)(F)F 4936200 YOLCKSNGFPXNQE-MRVPVSSYSA-N 370.157 4.324 30 40 FIEB C=CCn1c(SCc2c(C)noc2C)nc2scc(C3CC3)c2c1=O 5937510 DBWFZHBQNCNLPP-UHFFFAOYSA-N 373.503 4.419 30 40 FIEB O=[N+]([O-])c1cc(Br)cc(/C=N/c2cccc(Cl)c2)c1O 6220592 BJXCGZPCCGNPPV-FRKPEAEDSA-N 355.575 4.467 30 40 FIEB O=C1C[C@H](c2cccc(F)c2F)C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)N1 6820329 NBWFLVIKSKSADJ-IUODEOHRSA-N 371.358 4.108 30 40 FIEB CCOc1ccccc1-c1nnc(SCCOc2ccc(C#N)cc2)o1 8755812 PPEGUSICYRQORH-UHFFFAOYSA-N 367.430 4.178 30 40 FIEB C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(C)cc3)ccc21 8958806 QFACUIKOQWLXQP-UHFFFAOYSA-N 364.445 4.185 30 40 FIEB Cc1nc(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)oc1C 95953392 LGSARCSRHWNGPG-NSHDSACASA-N 361.492 4.417 30 40 FIEB C=CCOc1ccccc1/C=C1/S/C(=N/c2ccccc2)N(C)C1=O 96624374 JKTWZJZVVQNQRD-SXFBWKAHSA-N 350.443 4.485 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(F)c2)C[C@H]1c1cccc(F)c1 97104998 WRIMBNAMJHSDDG-ICSRJNTNSA-N 356.368 4.284 30 40 FIEB C[C@@H]1c2c(sc(NC(=O)[C@H]3CCC(=O)c4cccn43)c2C#N)CC[C@H]1C 333915805 ZHSANKJETJMIRM-TYNCELHUSA-N 367.474 4.263 30 40 FIEB C#CCOc1ccc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc1Cl 408572104 QPXLNPRPVDAAJA-INIZCTEOSA-N 354.793 4.242 30 40 FIEB COc1ccc2c(c1)Cc1sc(/N=C\c3ccc4c(c3)OCO4)nc1-2 409049776 YOJSXPQRWPZGRS-UKWGHVSLSA-N 350.399 4.202 30 40 FIEB C=C(C)COc1ccc2cc(-c3ccc(OC)c(OC)c3)c(=O)oc2c1 1317664 BBBDBEKMCJAACQ-UHFFFAOYSA-N 352.386 4.432 30 40 FIEB biogenic CCOC(=O)c1c(/N=C/c2cccc(OC)c2O)sc2c1CCCC2 1501501 INBNQEMLJPPEEK-RGVLZGJSSA-N 359.447 4.268 30 40 FIEB C/C(=C\N1CCN(c2ccc(C)c(C)c2)CC1)C(=O)c1ccc(F)cc1 1718120 VGSDFSCLAWDOAH-OBGWFSINSA-N 352.453 4.351 30 40 FIEB O=C(O)c1ccc(N/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1O 4677966 PTTWDSSBPITIKG-AATRIKPKSA-N 352.173 4.206 30 40 FIEB COc1cc(/C=N/c2sc3c(c2C#N)CCCC3)cc2sc(=O)oc12 5720194 GGFZRKKUJOXSQU-AWQFTUOYSA-N 370.455 4.426 30 40 FIEB Cn1c(SCC(=O)c2cn(CCC#N)c3ccccc23)nc2ccccc21 7737193 FPGXBFVPXOZKQA-UHFFFAOYSA-N 374.469 4.417 30 40 FIEB C=CCN(C(=O)[C@H]1Cc2ccccc2O1)c1nc(-c2ccccc2)cs1 15608270 VFGPFBHFNXJLDV-LJQANCHMSA-N 362.454 4.333 30 40 FIEB Cc1oc(-c2cccs2)nc1CC(=O)Nc1sc(C)c(C)c1C#N 24361688 DIARBNKFFSJTTN-UHFFFAOYSA-N 357.460 4.443 30 40 FIEB C[C@@H]1CCc2c(sc(NC(=O)C3=Cc4ccccc4OC3)c2C#N)C1 84700258 ZPYBVTVQVBUCMP-GFCCVEGCSA-N 350.443 4.159 30 40 FIEB C=CCSc1ccccc1C(=O)NCc1nc(-c2cccs2)no1 219819299 UGAMDIRSJNYYNQ-UHFFFAOYSA-N 357.460 4.006 30 40 FIEB Cc1ccc(S(=O)(=O)/N=C(/Nc2nc(C)cs2)c2ccccc2)cc1 6131255 MGJBYCJAMRBAOT-UHFFFAOYSA-N 371.487 4.008 30 40 FIEB COc1ccc(/C=N/Nc2ccc(Cl)nn2)cc1OCc1ccccc1 6566462 LWOCIVNDZGFFCS-CIAFOILYSA-N 368.824 4.164 30 40 FIEB N#Cc1c(NC(=O)CCN2CCc3ccccc32)sc2c1CCCCC2 7600734 VLBIUDRIZGXEOT-UHFFFAOYSA-N 365.502 4.280 30 40 FIEB O=C1Nc2ccccc2/C1=N\Nc1nnc(-c2ccccc2)c2ccccc12 8381627 BKOVIEJZBHKKKN-UHFFFAOYSA-N 365.396 4.065 30 40 FIEB N#Cc1ccccc1NC(=O)CN1CCc2sccc2[C@H]1c1ccccc1 12975572 UXSULWAEASYFAS-JOCHJYFZSA-N 373.481 4.206 30 40 FIEB CSc1ccc(/C=N\N2CCN(Cc3ccc(C)cc3C)CC2)cc1 15745808 BJXHKJWEHKPVJK-JCMHNJIXSA-N 353.535 4.177 30 40 FIEB Cc1ccc(/C=C2\S/C(=N/c3ccccc3C(F)(F)F)NC2=O)o1 35646933 YCQGABVQZGQUHW-JYRVWZFOSA-N 352.337 4.498 30 40 FIEB Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1ccc(C#N)cc1 44758306 PEPMOKAIMNQREN-UHFFFAOYSA-N 355.397 4.371 30 40 FIEB N#Cc1cccc(C(=O)Nc2ncc(Cc3ccc(F)c(F)c3F)s2)c1 47166525 ABUZLEJPWGJOAM-UHFFFAOYSA-N 373.359 4.275 30 40 FIEB CC1=NN(c2ccccc2)C(=O)[C@@H]1[C@@H](c1cccc(Cl)c1)C(C#N)C#N 85901861 JWGRSBYMWCYBHG-OALUTQOASA-N 362.820 4.126 30 40 FIEB CCN(CC)c1ccc(/N=C2/NC(=O)/C(=C\c3ccc(O)cc3)S2)cc1 110701060 VSBZKWCVEWLYCZ-QGOAFFKASA-N 367.474 4.130 30 40 FIEB C=CCOc1ccc(NC(=S)NCCSCc2ccccc2)cc1 225291282 YNNRESOWYHVAMI-UHFFFAOYSA-N 358.532 4.471 30 40 FIEB CCn1ccnc1[C@@H]1CCCCN1/C(O)=N/CC(C)(C)c1cccs1 330267914 IIYAAVWANQXFIQ-HNNXBMFYSA-N 360.527 4.383 30 40 FIEB C#CCOc1ccc(/C=C2\C(=O)N(CCC)c3ccccc32)cc1OCC 409122301 XMOQALIMZMFQAI-CYVLTUHYSA-N 361.441 4.395 30 40 FIEB CN(C)c1ccc(/C=N/n2cnn(Cc3ccccc3Cl)c2=S)cc1 3197414 XCWCEGGPOXKXHJ-RGVLZGJSSA-N 371.897 4.064 30 40 FIEB O=[N+]([O-])c1ccccc1/C=N/NC(=S)Nc1ccc(Cl)c(Cl)c1 3260836 CWQOLMKMISRLBW-CAOOACKPSA-N 369.233 4.222 30 40 FIEB CC(C)[C@](C)(C#N)NC(=O)CSc1nc2cc(Cl)ccc2s1 3423367 RYIVUCATZUPJJG-HNNXBMFYSA-N 353.900 4.096 30 40 FIEB Cn1cccc1/C=C1\S/C(=N/c2cccc(Cl)c2Cl)NC1=O 5184898 WKRKMGASVKWTJW-WQLSENKSSA-N 352.246 4.224 30 40 FIEB CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1F 6783125 ODBTTWYAUXKINN-GOSISDBHSA-N 353.393 4.204 30 40 FIEB CCOc1ccccc1NCC(=O)Nc1sc2c(c1C#N)CCCCC2 12554964 OCIGAJKHWMMURL-UHFFFAOYSA-N 369.490 4.338 30 40 FIEB C=CCOc1cccc(-c2nn3c(-c4ccc(OC)cc4)nnc3s2)c1 13956912 ZIJJTJKETNWRDE-UHFFFAOYSA-N 364.430 4.093 30 40 FIEB CC(NN(Cc1ccccc1)c1ccccc1)=C1C(=O)CC(C)(C)CC1=O 18190593 HDHSZCPXTFSNED-UHFFFAOYSA-N 362.473 4.430 30 40 FIEB Cc1ccc(NC2=C(C(=O)c3ccccc3)[C@@H](c3ccccc3)NC2=O)cc1 27019996 SGMHQZHNJOENOE-OAQYLSRUSA-N 368.436 4.415 30 40 FIEB C=CCOc1cccc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)c1 214151557 SNGKROHQPNIVSE-QGOAFFKASA-N 351.427 4.488 30 40 FIEB CC1(C)CC(=O)c2cc(C#N)c(SCC(=O)c3ccccc3)nc2C1 2312283 FELIAVMVRKYVBU-UHFFFAOYSA-N 350.443 4.083 30 40 FIEB CCn1c(COc2ccc(C)cc2)nnc1SCc1ccc(C#N)cc1 2450675 SZAKWCMAJDDKGG-UHFFFAOYSA-N 364.474 4.349 30 40 FIEB N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)c1ccc[nH]1 3343254 PDSBFUCZVYFSJX-UHFFFAOYSA-N 362.410 4.077 30 40 FIEB O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccc(Cl)cc2)c1O 5569336 INGGZVXMYBGNNE-FRKPEAEDSA-N 355.575 4.467 30 40 FIEB C/C(=N\Nc1ncc(Cl)cc1Cl)c1ccc(N2CCOCC2)cc1 5868217 ZXNGJDRWRMNOQI-CIAFOILYSA-N 365.264 4.061 30 40 FIEB COc1cccc(/C=C/C(=O)c2ccc(Br)s2)c1OC 7718309 NXJQGYFEAZFTJO-VOTSOKGWSA-N 353.237 4.424 30 40 FIEB COc1cccc(-c2nc(COc3ccccc3C#N)cs2)c1OC 8273130 DFFMOTHXATXMTH-UHFFFAOYSA-N 352.415 4.278 30 40 FIEB O=C(Nc1ccccc1C/C(=N/O)c1ccc2c(c1)OCO2)c1ccccc1 8627919 UOTRTEACGCBOKY-CLCOLTQESA-N 374.396 4.089 30 40 FIEB C=C(C)Cn1cnc2c(sc3nc(-c4ccco4)c4c(c32)CCC4)c1=O 13732250 HZQWJMCHVCZSQY-UHFFFAOYSA-N 363.442 4.331 30 40 FIEB C=CCC1=C[C@@](OC)(/C(C)=C/c2ccc(OC)c(OC)c2)C(OC)=CC1=O 14658200 VKYZYTYFGUQBLS-DAXPHYLKSA-N 370.445 4.108 30 40 FIEB biogenic,in-vitro CNC1=C(C(=O)c2ccccc2)C(=O)C[C@H](c2ccc(Cl)cc2)S1 26896853 SJDFVVABCQOHHF-MRXNPFEDSA-N 357.862 4.401 30 40 FIEB N=C1S/C(=C\c2ccc(N3CCCCC3)o2)C(=O)[C@H]1c1nccs1 137681855 UJZUJYRXXSSNIV-CELURBQWSA-N 359.476 4.144 30 40 FIEB C=CCOc1ccc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc1 408787848 AFCREYUZROERLD-PHJXOXRPSA-N 366.486 4.413 30 40 FIEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1c2ccccc2cc2ccccc12 409410103 YWUWYHYMICSPIA-KLDKWKSESA-N 366.420 4.134 30 40 FIEB C[C@H]1CCc2c(sc(NC(=O)COc3cccc(Cl)c3)c2C#N)C1 947396 YDAJBQGSZNLGRT-NSHDSACASA-N 360.866 4.415 30 40 FIEB C=CCn1c(SCC(=O)NC(C)C)nnc1-c1ccc(C(C)(C)C)cc1 3402420 QQGNCDSFHIGDAF-UHFFFAOYSA-N 372.538 4.045 30 40 FIEB CCOC(=O)C/C(=N/Nc1nc(-c2ccccc2)cs1)C(F)(F)F 4476687 FFPQOTHSFKXPLJ-NDENLUEZSA-N 357.357 4.094 30 40 FIEB CCC[C@H]1S/C(=N/N=C/c2ccco2)N(Cc2ccc(F)cc2)C1=O 4936752 YCPKIVUMIJASHD-OIKXKXGOSA-N 359.426 4.053 30 40 FIEB CC(C)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1 5444138 RASYCAOXNAPDJC-SFHVURJKSA-N 353.393 4.060 30 40 FIEB O=C1/C(=C/c2ccccc2)Oc2c1ccc1c2CN(Cc2cccnc2)CO1 9423883 FRHABIFOPCMXNN-NHDPSOOVSA-N 370.408 4.050 30 40 FIEB Cn1c(N/C(=C/C(=O)c2cccs2)C(F)(F)F)nc2ccccc21 18106056 VSNXLJFGRKZERO-NTEUORMPSA-N 351.353 4.376 30 40 FIEB N#Cc1ccccc1CSc1nnc(-c2ccc(Br)cc2)[nH]1 18955008 UUHMRSFKOYZXCT-UHFFFAOYSA-N 371.263 4.398 30 40 FIEB C=CCSc1nc(N)c2c3c(sc2n1)CN(Cc1ccccc1)CC3 20264327 YFYIEMGGEHXYIZ-UHFFFAOYSA-N 368.531 4.110 30 40 FIEB Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2ccc(C(=O)O)cc2)S1 59224347 BOBGNGAMWIFQHZ-NVNXTCNLSA-N 372.833 4.238 30 40 FIEB N#CCCn1cc(CN2CCc3cc(F)c(F)cc32)c(-c2ccccc2)n1 96003675 MKAGMAGXQDENDL-UHFFFAOYSA-N 364.399 4.305 30 40 FIEB CCOc1ccc(/C=N/Nc2ccccc2)cc1I 408903893 AYOJOROODMTXOM-GZTJUZNOSA-N 366.202 4.136 30 40 FIEB O=C1CS/C(=N/N=C/c2cccs2)N1Cc1cccc2ccccc12 2336599 LVYGORDCHAMRGC-UCLIPEMJSA-N 365.483 4.367 30 40 FIEB CN1C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2=C1CC(C)(C)CC2=O 4009258 FLMIAZRHVNFAFG-OAHLLOKOSA-N 352.356 4.045 30 40 FIEB Cc1cccc([C@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ncnn32)c1 5246710 QRYDFAFKCAXGGZ-UWJYYQICSA-N 356.429 4.002 30 40 FIEB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)OCc1ccc(C#N)cc1 5938011 SXDLZGPEUYDBHV-UHFFFAOYSA-N 359.429 4.037 30 40 FIEB N#Cc1cccc(NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)c1 10958712 BWDQNLCSVHGFBP-UHFFFAOYSA-N 356.307 4.015 30 40 FIEB Cc1cc(C)cc(C(=O)NC(=S)Nc2sc3c(c2C#N)CCCC3)c1 17075781 WOTLURZASDISFL-UHFFFAOYSA-N 369.515 4.242 30 40 FIEB CSC1=N[C@H](c2ccc([N+](=O)[O-])o2)C(C(C)=O)=C(C)N1c1ccccc1 33735054 BXSZOZJPFWKSGG-QGZVFWFLSA-N 371.418 4.331 30 40 FIEB C=CCc1cccc(/C=N\Nc2ncnc3sc4c(c23)CCCC4)c1O 36231240 QUTHWDDCBINJBV-KSEXSDGBSA-N 364.474 4.450 30 40 FIEB CCOc1ccc(OCC)c(N/C=C/C(=O)c2ccc(OC)c(OC)c2)c1 44843577 XZTGXAOMXNWIID-VAWYXSNFSA-N 371.433 4.310 30 40 FIEB Cc1cc(C)c2c(c1)/C(=N/O)C(=O)N2CCOc1ccc(C(C)(C)C)cc1 46084912 CRSSEOZFUAMVFA-NMWGTECJSA-N 366.461 4.205 30 40 FIEB N#Cc1ccc(CSCC(=O)Nc2ccc(N3CCCC3)cc2)cc1 48215151 SSSCYRSYJQAHEY-UHFFFAOYSA-N 351.475 4.030 30 40 FIEB CN(Cc1csc(Br)c1)Cc1cn2ccccc2c1C#N 83862043 JXBKIKAQFGQRMY-UHFFFAOYSA-N 360.280 4.267 30 40 FIEB CC[N+](C)(CC)CCC/C(=N\O)C(O)(c1ccccc1)c1ccccc1 100251254 JDCWTWUPZWPUDT-XTQSDGFTSA-O 355.502 4.019 30 40 FIEB C/C(=N/O)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N\O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C 118917610 XRIBCZBNOYMDRN-NSGHZWNESA-N 358.482 4.425 30 40 FIEB C=CCSc1ccccc1C(=O)N[C@@H](C)COc1ccc(OC)cc1 219811870 YBLPVMFYVPMZIS-HNNXBMFYSA-N 357.475 4.171 30 40 FIEB CCn1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)c2ccccc21 408897484 NHAWKOBCIXYHRQ-UHFFFAOYSA-N 360.457 4.362 30 40 FIEB Cc1cccc2cc(C#N)c(SCC(=O)N[C@@H]3CCCC[C@@H]3C)nc12 933887 OHSHYNXSKYPLEI-SUMWQHHRSA-N 353.491 4.202 30 40 FIEB O=c1n(C[C@H]2CO2)c(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1 2275815 GZAGLVFYTYMSBJ-NRFANRHFSA-N 368.436 4.372 30 40 FIEB N/C(=N\OC(=O)c1cccc2ccccc12)c1ccc(Br)cc1 4888464 IVDBCHMLCONBKZ-UHFFFAOYSA-N 369.218 4.080 30 40 FIEB COc1cc(/C=C2\S/C(=N\c3cc(Cl)ccc3C)NC2=O)ccc1O 5006581 JUYMMIWPQKLAHY-PXNMLYILSA-N 374.849 4.254 30 40 FIEB N#C[C@H]1C(=O)NC(=N)[C@@H](c2nc(-c3ccccc3)cs2)C12CCCCC2 6927881 BIPQNHCVEWTGLL-HOCLYGCPSA-N 364.474 4.091 30 40 FIEB CN(C)[C@@H](CNc1oc(-c2ccco2)nc1C#N)c1ccccc1Cl 27990985 WEHGWFNETPZIQR-HNNXBMFYSA-N 356.813 4.174 30 40 FIEB C=CCN(CC(=O)Nc1cc(C(C)(C)C)no1)Cc1ccc(Cl)s1 32753329 CXHFXJZUNPQYGR-UHFFFAOYSA-N 367.902 4.314 30 40 FIEB N#Cc1ccc(CN2CC[C@H](c3nnc(-c4ccc(Cl)cc4)o3)C2)cc1 49169403 ABFCIAZWIWSORP-KRWDZBQOSA-N 364.836 4.251 30 40 FIEB biogenic,in-vitro C=C(C)COc1cccc(C(=O)Nc2cc(C(=O)OCC)ccc2C)c1 219787879 FTTVMHYFQHODGK-UHFFFAOYSA-N 353.418 4.379 30 40 FIEB O=[N+]([O-])c1ccc(/N=C\c2cc(Br)c(N3CCCC3)o2)cc1 408850397 MXXKWYYBNGTBOF-YVLHZVERSA-N 364.199 4.301 30 40 FIEB Cc1cc(/C=N\c2ccc([N+](=O)[O-])cc2)c(C)n1NC(=O)c1ccccc1 409209808 JDMCPXBCTWREAZ-BKUYFWCQSA-N 362.389 4.148 30 40 FIEB C=CCN1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 1310300 CKEPLAWHDARRHO-GDNBJRDFSA-N 372.427 4.242 30 40 FIEB CCCN1C(=S)SC(C)(C)[C@H]1/[N+]([O-])=C/c1ccc(SC)cc1 2260653 BXCOVZYVIBYQQN-JVVDOCDTSA-N 354.566 4.186 30 40 FIEB N#Cc1c(NC(=S)NC(=O)/C=C/c2cccs2)sc2c1CCCC2 3136445 DUKGFUOQNYZWLB-BQYQJAHWSA-N 373.528 4.086 30 40 FIEB CSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1cccs1 4331390 GSEQRLIGAGQEPY-ZDUSSCGKSA-N 372.519 4.043 30 40 FIEB Cc1cccc(COc2ccc(/C=N/Nc3ccc([N+](=O)[O-])cn3)cc2)c1 4739625 HKHWEMOUONCFGN-WSDLNYQXSA-N 362.389 4.323 30 40 FIEB CN(C)[C@H](CNc1oc(-c2ccccc2F)nc1C#N)c1cccs1 27794224 PBLHDCMXFXLQCR-OAHLLOKOSA-N 356.426 4.129 30 40 FIEB Cc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2ccccn2)cc1 100136388 RMCVKWXJZKBMDA-YDJIHCHBSA-N 370.408 4.016 30 40 FIEB CCC(C)(C)[C@H]1CCc2nc(N=C(O)[C@@H]3CCc4nncn4C3)sc2C1 329177573 MWMCLTQPLRZILH-OLZOCXBDSA-N 373.526 4.126 30 40 FIEB N#CCc1ccc(NC(=O)C2(c3cc(F)cc(Br)c3)CC2)cc1 503684565 OPQFANIVIUWJSH-UHFFFAOYSA-N 373.225 4.325 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccs2)C[C@@H]1c1ccc(N(C)C)cc1 812534 AWEFHQHEUGHFCJ-XLIONFOSSA-N 369.486 4.133 30 40 FIEB CCOC(=O)C[N+]12CCC(CC1)C(=C(c1ccccc1)c1ccccc1)C2 1799995 DAFPTNHQWCDFGG-UHFFFAOYSA-N 362.493 4.292 30 40 FIEB C=CCn1c(SCC(=O)c2ccccc2)nnc1-c1cccc(OC)c1 2452390 ZLCGIVJABMLNGE-UHFFFAOYSA-N 365.458 4.115 30 40 FIEB CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)Nc2ccc(C#N)cc2)CC1=O 3429784 NZOFZPHLIYOCEJ-NVXWUHKLSA-N 361.445 4.063 30 40 FIEB CCOc1cc(/C=N/n2c(-c3ccco3)cs/c2=N\C(C)C)ccc1O 12655580 YOASOGRDLAWSLH-YOPNLDQXSA-N 371.462 4.105 30 40 FIEB CSc1ccc(CN(C)C(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1 12738989 HXKUDXSWPQHXGN-UHFFFAOYSA-N 365.458 4.245 30 40 FIEB COc1ccc(OC)c(/C=C2/S/C(=N\c3ccccc3Cl)NC2=O)c1 16692815 NFYHSPBYIVPXPW-MHWRWJLKSA-N 374.849 4.249 30 40 FIEB O=C1C[C@H](c2ccc(Cl)cc2Cl)C2=C(O1)C(=O)c1ccccc1C2=O 20722867 JIMSVBDGFXPIKO-CYBMUJFWSA-N 373.191 4.357 30 40 FIEB Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc(-n2cccc2)cc1 102147014 QSUSONLONIGRQR-LJQANCHMSA-N 367.408 4.472 30 40 FIEB Cc1cc2c(cc1/C=N/Nc1ccc([N+](=O)[O-])cn1)[C@H](C)CC(C)(C)N2C 208216357 HKLFZLJSSRJNCN-DACUGSJHSA-N 367.453 4.466 30 40 FIEB Cc1ccc(/C=C2\S/C(=N\c3cccc(C(=O)O)c3C)N(C)C2=O)cc1 408931630 ODZVAUNRHCQLEW-ICSPAVNMSA-N 366.442 4.235 30 40 FIEB C=CCOc1cccc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)c1 409340168 RNLGEVPVCXSDAV-SFQUDFHCSA-N 370.499 4.207 30 40 FIEB Cc1cc(C)c2c(n1)sc1c(=O)n(/N=C/c3ccc(Cl)cc3)cnc12 642471 GWZCMHWGYQHYPE-ODCIPOBUSA-N 368.849 4.159 30 40 FIEB N#Cc1c(C(F)(F)F)cc(-c2ccc(Cl)cc2)nc1SCC(=O)O 798967 RAAQFQAWKVLAMI-UHFFFAOYSA-N 372.755 4.469 30 40 FIEB Cc1ccc(C)c2nc(SCC(=O)NCc3ccccc3)c(C#N)cc12 1354244 AZOVKNLEWFHNMR-UHFFFAOYSA-N 361.470 4.132 30 40 FIEB CC(=O)Nc1ccc(/N=C/c2ccccc2OC(=O)c2cccnc2)cc1 1464818 JQSICVJEJVDCCJ-OEAKJJBVSA-N 359.385 4.010 30 40 FIEB C=C(C)CSc1nnc2c3c4c(sc3nc(CC)n12)COC(C)(C)C4 2230910 YLJRITPZZUBLIT-UHFFFAOYSA-N 374.535 4.421 30 40 FIEB CC1(C)SC(=S)N(c2ccccc2)[C@@H]1/[N+]([O-])=C/c1ccccc1F 2265940 URDJBBAEQFCDGT-DEFALTHMSA-N 360.479 4.398 30 40 FIEB C=C(C)Cn1c(CCCNC(=O)c2ccc(F)cc2)nc2ccccc21 2721559 HVOJHXKZNWPWMR-UHFFFAOYSA-N 351.425 4.114 30 40 FIEB CCCC[C@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@H]1c1cccc([N+](=O)[O-])c1 4626440 PVOUQHSYYODXDA-KBXCAEBGSA-N 374.437 4.096 30 40 FIEB N#Cc1ccc(CSc2nc(N)c3c4c(sc3n2)CCCC4)cc1 9379174 XVIZLSAIFJOLQG-UHFFFAOYSA-N 352.488 4.316 30 40 FIEB CCOc1ccc(C(=O)[C@@H](C)[n+]2cc(-c3ccccc3)n3c2CCC3)cc1 16995818 VAJAMUZVNGDPFD-QGZVFWFLSA-N 361.465 4.231 30 40 FIEB CN(C)c1ccc(/C=C2/S/C(=N/c3ccccc3Cl)NC2=O)cc1 17282353 SCLAUTQTMPTDII-LFIBNONCSA-N 357.866 4.298 30 40 FIEB CCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O 28537991 MTJZWYHTZFVEGI-INIZCTEOSA-N 357.491 4.122 30 40 FIEB Cc1cccc(C)c1NC(=S)NN=C1CCN(Cc2ccccc2)CC1 57375733 BXBYQWDMPHZRMV-UHFFFAOYSA-N 366.534 4.242 30 40 FIEB C#CCOc1ccc(CCNC(=O)c2ccc(-c3ccccc3F)o2)cc1 58004088 XPIRFIAJJAXBDF-UHFFFAOYSA-N 363.388 4.070 30 40 FIEB Cc1nccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)n1 58378849 ZZBAITQYMFYBTR-QGZVFWFLSA-N 362.820 4.346 30 40 FIEB CC(=O)N1N=C(c2cccc(C#N)c2)C[C@@H]1c1cc2ccccc2nc1Cl 95116610 NOXHXKHVVMBFOM-HXUWFJFHSA-N 374.831 4.457 30 40 FIEB CCN1c2ccc(/C=C3\S/C(=N\C)N(C)C3=O)cc2C(C)=CC1(C)C 223473075 VJNJCQKLTZNXEA-WQZDFCHPSA-N 355.507 4.240 30 40 FIEB Cc1ccc(N/N=C\c2c(C)nn(-c3cccc([N+](=O)[O-])c3)c2C)c(C)c1 409001874 XHHWRXOTSXKUMR-MTJSOVHGSA-N 363.421 4.460 30 40 FIEB Cc1csc(N/N=C/c2ccc(OC(=O)c3ccccc3C)cc2)n1 409061276 YXXBSJUPQHMVGP-RGVLZGJSSA-N 351.431 4.425 30 40 FIEB C/N=C(/S)N(C1=NC[C@@H](c2ccc([N+](=O)[O-])cc2)S1)c1ccccc1 5688905 XRBFZUAQWBIEEZ-HNNXBMFYSA-N 372.475 4.161 30 40 FIEB COc1cc(C[S+]2CCCC2)c(SC)cc1C[S+]1CCCC1 5808238 SHDCVEWKXMZAJE-UHFFFAOYSA-N 356.622 4.241 30 40 FIEB Cc1ccc(CSc2nnc(NC(=O)c3ccc(C#N)cc3)s2)cc1 6610692 KTDFNORYKAKACI-UHFFFAOYSA-N 366.471 4.263 30 40 FIEB N#Cc1c(COC(=O)/C=C/c2c(F)cccc2Cl)cn2ccccc12 14854199 YJKFADGLEHXFCA-BQYQJAHWSA-N 354.768 4.360 30 40 FIEB N#Cc1c(Cl)nsc1N[C@@H]1CCCc2c1cnn2Cc1ccccc1 51922694 WKUMFSDIIIVWES-OAHLLOKOSA-N 369.881 4.402 30 40 FIEB O=[N+]([O-])c1cccnc1N/N=C/c1ccccc1OCc1cccc(F)c1 409096760 KYRSDFVWMDQBRX-WSDLNYQXSA-N 366.352 4.154 30 40 FIEB CCn1c(SCc2ccc(C#N)cc2)nnc1-c1ccccc1OC 2446997 DIJVVWXKYBTYGM-UHFFFAOYSA-N 350.447 4.138 30 40 FIEB O=C(C1=C(O)C(=O)N(c2cccnc2)[C@H]1c1ccc(F)cc1)c1ccccc1 9089490 MFCQEJZXBBIFNH-IBGZPJMESA-N 374.371 4.004 30 40 FIEB Cc1ccc(Cn2nc(C)c(/C=C/C(=O)c3ccc4c(c3)OCO4)c2C)cc1 12808245 SJPBJNMMWRABHS-MDZDMXLPSA-N 374.440 4.481 30 40 FIEB Cc1ccc(/C=C2\Oc3c(ccc(O)c3CN3C[C@@H](C)C[C@@H](C)C3)C2=O)o1 13656043 YMUCZYAOTJBNPJ-JQJDFSLLSA-N 367.445 4.388 30 40 FIEB biogenic Cc1nc(COc2ccc(/C=C/C(=O)c3ccc(F)cc3F)cc2)no1 58201368 YYYVPQLQPZWBPV-RUDMXATFSA-N 356.328 4.131 30 40 FIEB C=C(Br)CSc1cc(C(=O)NC2CC2)c2ccccc2n1 58378607 VIGUKKARBLHSJR-UHFFFAOYSA-N 363.280 4.128 30 40 FIEB Cc1cc(/C=N\Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(C)c1O 109709844 ZCOWVGOCLUUPHE-ZBKNUEDVSA-N 353.300 4.382 30 40 FIEB C=CCSc1ccccc1C(=O)Nc1ccc(N2CCOCC2)cc1 225008375 JCALECFPYWXPCW-UHFFFAOYSA-N 354.475 4.054 30 40 FIEB COc1ccc(/N=C\c2cccc(OCC(=O)Nc3ccccc3)c2)cc1 409212666 RMCOQNQHKJAPGL-HAHDFKILSA-N 360.413 4.463 30 40 FIEB C=CCOc1c(Br)cc(/C=C/[N+](=O)[O-])cc1Br 409371299 HZEYNCYJFPLEPJ-ONEGZZNKSA-N 363.005 4.024 30 40 FIEB CC1=C(C)C[C@H](C(=O)Nc2sc3c(c2C#N)CCCCC3)[C@@H](C(=O)O)C1 2793060 NKTRLUSSRPFGFM-GJZGRUSLSA-N 372.490 4.274 30 40 FIEB Fc1ccccc1COc1c(Cl)cc(/C=N/n2cnnc2)cc1Cl 9235117 ZDNVDDYQZPYJHO-QPJQQBGISA-N 365.195 4.185 30 40 FIEB N#Cc1ccc(OCCOC(=O)Cc2ccc(Cl)c(Cl)c2)cc1 11121881 LOBFBAMMJXSYBA-UHFFFAOYSA-N 350.201 4.030 30 40 FIEB CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Cl)c1OC 408930647 ABJHFOSZZFGASI-HYARGMPZSA-N 374.868 4.335 30 40 FIEB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/Nc1nc2ccccc2s1 409000916 NVFGZHWFNBPJRH-XDHOZWIPSA-N 369.450 4.497 30 40 FIEB CC(=O)O[C@H]1C[C@H]2C(C)(C)CCC[C@]2(C)C2=C1C(=O)C(C(C)C)=C(O)C2=O 18085500 XDBVTCDGDQLEKG-OKHZJLECSA-N 374.477 4.071 30 40 FIEB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@]5(C(C)=O)O[C@H]5[C@@]4(C)CC[C@@H]32)C1 118917470 GWZAVXCYXHGFFE-WSWZUSLFSA-N 372.505 4.217 30 40 FIEB C=CCNC(=O)c1ccccc1NC(=O)c1cc(C(C)C)c(OC)cc1C 225659340 PUYWXIMMBXBNKN-UHFFFAOYSA-N 366.461 4.295 30 40 FIEB O=[N+]([O-])c1cccnc1N/N=C/c1ccc(OCc2ccc(F)cc2)cc1 409095475 HWOOYICEFVGMNA-WSDLNYQXSA-N 366.352 4.154 30 40 FIEB COc1cc([N+](=O)[O-])cc(/C=N/c2nc3c(C)cc(C)cc3s2)c1O 802216 DPZGONHKJLKUSF-QGMBQPNBSA-N 357.391 4.286 30 40 FIEB CC(=O)C1=C(C)N(C)C2=C(C(=O)c3ccccc32)[C@@H]1c1ccc([N+](=O)[O-])cc1 988616 BVLOFQRJXBJNPB-LJQANCHMSA-N 374.396 4.094 30 40 FIEB N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)cc2)cc1 990867 NZDSLAZGOHKGCW-MOPGFXCFSA-N 364.401 4.180 30 40 FIEB COc1ccc(C(C)=O)cc1C[P+](CCC#N)(CCC#N)CCC#N 4277437 KWJRTMXXYRQQIL-UHFFFAOYSA-N 356.386 4.156 30 40 FIEB [O-]/[N+](=C\c1cc(Br)cc(Br)c1O)c1ccccc1 4550766 KIDADVFYVHRMKH-PXNMLYILSA-N 371.028 4.178 30 40 FIEB Cc1nc2cc(C(=O)Nc3ccc(C#N)cc3)ccc2n1-c1ccccc1 8725454 GSZDAFODNNBAPU-UHFFFAOYSA-N 352.397 4.458 30 40 FIEB Cc1cccc(/N=C2/N=C(O)/C(=C3\C(=O)N(C)c4ccccc43)S2)c1C 16666297 VQFZFDGGHYQGPQ-WUKNDPDISA-N 363.442 4.382 30 40 FIEB Cc1ccccc1CSc1nc(N)c(C#N)c(Cc2ccccc2F)n1 223675611 LEXUPINUUQCFNI-UHFFFAOYSA-N 364.449 4.261 30 40 FIEB O=[N+]([O-])c1cc(C(=NO)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1Cl 2246037 AHGATCWFKAVUJR-UHFFFAOYSA-N 356.121 4.036 30 40 FIEB O=C(/C(=N/Nc1ccccc1)c1nc2ccccc2nc1O)c1ccccc1 4909813 QPJLWTOBBMVLAS-LGUFXXKBSA-N 368.396 4.035 30 40 FIEB Cc1ccccc1[C@H]1C2=C(C[C@H](c3ccccc3)CC2=O)Nc2ncnn21 5271372 RFAGPWSEAWJPGS-KKSFZXQISA-N 356.429 4.002 30 40 FIEB O=C(/C=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccc(N2CCCC2=O)cc1 15554132 XRXRDSKZMSUUNO-BJMVGYQFSA-N 370.792 4.271 30 40 FIEB O=C1/C(=C\c2ccccc2)CN(C(=O)C(F)(F)F)C/C1=C\c1ccccc1 18066064 QAGJOBCHMKIKSL-MJZABRMRSA-N 371.358 4.127 30 40 FIEB CCOc1ccc(-n2c(C)cc(/C=N\Nc3nc(C)cc(C)n3)c2C)cc1 33738171 YZDIJADUGDVYPZ-XKZIYDEJSA-N 363.465 4.346 30 40 FIEB Cc1nn(C(F)F)c(C)c1CC(=O)Nc1ccccc1SCCC#N 95953559 SNTUNODADSKHGW-UHFFFAOYSA-N 364.421 4.082 30 40 FIEB CCN1C(=O)/C(=C\c2cccc(OC)c2O)S/C1=N/c1ccc(C)cc1 96609627 BVMMDNRTQZYBLQ-UCEMORSKSA-N 368.458 4.333 30 40 FIEB CCN(CCCNC(=S)Nc1ccc(CC#N)cc1)c1ccc(C)cc1 225733491 XCGZXGSKYXOUOB-UHFFFAOYSA-N 366.534 4.264 30 40 FIEB N#Cc1ccc(C(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2)c(F)c1 408621118 JTXMVBOZPIOECU-UHFFFAOYSA-N 373.387 4.131 30 40 FIEB C=CCOc1c(Cl)cc(/C=C2\SC(=O)N(C(C)C)C2=O)cc1OC 409057565 KBYVRYJPFRNVLQ-ZROIWOOFSA-N 367.854 4.358 30 40 FIEB CC(C)c1ccc2nc(SCC(=O)N3CCCCC3)c(C#N)cc2c1 4848973 AOBXDROSFHEVGI-UHFFFAOYSA-N 353.491 4.334 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccs2)C[C@H]1c1cccc(OC)c1 4918862 AWRCGTJTUWYUEF-LPHOPBHVSA-N 356.443 4.076 30 40 FIEB C=CCNc1nc(C(=O)O[C@@H](C)c2nnc(-c3cccc(C)c3)o2)cs1 26563230 NPAXKIVOQKTTCZ-LBPRGKRZSA-N 370.434 4.017 30 40 FIEB O=C1c2cc([N+](=O)[O-])ccc2-c2c(/N=C\c3ccc4c(c3)OCO4)cccc21 104102183 ORZRASWYDKYBNN-YVNNLAQVSA-N 372.336 4.286 30 40 FIEB CCN1CC[C@](O)(/C=C/c2ccccc2)[C@H](C(=O)/C=C\c2ccccc2)C1 104269565 ZXMJHHNQOAEYKW-SOFUSGGRSA-N 361.485 4.055 30 40 FIEB Cc1ccc(CSc2nc(N)c(C#N)c(Cc3cccc(C)c3)n2)cc1 223671160 XHSPNWSJSWOZML-UHFFFAOYSA-N 360.486 4.430 30 40 FIEB C=CCOC(=O)c1ccc(OC(=O)c2cccc(Cl)c2)c(OCC)c1 226307158 RGRWMZDHUVKFMQ-UHFFFAOYSA-N 360.793 4.301 30 40 FIEB COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OCC(=O)O 408691782 PYUPTFBJFDDPOI-VMPITWQZSA-N 360.793 4.017 30 40 FIEB C=CCn1c(SCc2ccccc2)nnc1-c1ccc(OC)c(OC)c1 4345250 ISLDTMCWCLHXMG-UHFFFAOYSA-N 367.474 4.441 30 40 FIEB C=CCn1c(SCC(=O)N[C@@H](C)c2ccc(F)cc2)nc2ccccc21 4485667 RRPUUKGWUSFTAZ-AWEZNQCLSA-N 369.465 4.331 30 40 FIEB Cc1ccc2cc(C#N)c(SCC(=O)N3CCc4ccccc4C3)nc2c1 4849007 UYDLGRUYYOQJHF-UHFFFAOYSA-N 373.481 4.092 30 40 FIEB CN(C)/C(=N\N=C(/c1ccc(Cl)cc1)N(C)C)c1ccc(Cl)cc1 5432026 YSBNYEKPRGJWCH-QGFZOGOGSA-N 363.292 4.225 30 40 FIEB CCSc1nc2n(n1)[C@H](c1ccccc1F)C1=C(CC(C)(C)CC1=O)N2 6677847 YXTGKPWKDKQJIC-MRXNPFEDSA-N 372.469 4.187 30 40 FIEB CCCOc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1 19972684 KLBLOKNSVCPWDD-UHFFFAOYSA-N 351.446 4.176 30 40 FIEB N#Cc1c(N)nc2c(c1N)[C@H](SCc1ccccc1)c1ccccc1O2 20094817 JLUDBKWKUVCBHN-GOSISDBHSA-N 360.442 4.246 30 40 FIEB Cc1cccc(OCCCC(=O)N[C@@](C)(C#N)CCc2ccccc2)c1 84211210 IBUZVINSUNLJFR-JOCHJYFZSA-N 350.462 4.185 30 40 FIEB C=C[C@]1(O)CC[C@@H]2[C@H]3C[C@@H]4O[C@@]45C[C@@H](OC(C)=O)CC[C@]5(C)[C@@H]3CC[C@@]21C 245227849 RSBPOYAJCVXJON-YOBUSACUSA-N 374.521 4.009 30 40 FIEB CCN(CCOC(=O)Nc1ccccc1)c1ccc(C(C#N)C#N)c(C)c1 263619454 YSOHRODHDJYIPG-UHFFFAOYSA-N 362.433 4.201 30 40 FIEB in-vitro Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCCCCc2ccccc21 329542114 DUFWMCFJBQTOPH-UHFFFAOYSA-N 364.493 4.106 30 40 FIEB Cc1cc2c(cc1/C=N/Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCO2 409068224 UAJXRFLZMXPKMX-IFRROFPPSA-N 367.283 4.097 30 40 FIEB CCCOc1ccc(/C=C2\C(=O)ON=C2c2ccccc2)cc1OCC 409091730 UBJUVWILXRCVKB-LGMDPLHJSA-N 351.402 4.219 30 40 FIEB Cc1cncc(CN2CCC[C@@H]2c2cccc(Nc3ccc(C#N)nc3)n2)c1 585295187 OYOMYRHXWWAQQC-OAQYLSRUSA-N 370.460 4.132 30 40 FIEB O=[N+]([O-])c1ccc(/C=N/c2ccccc2/N=C/c2ccc([N+](=O)[O-])o2)o1 2292048 XWWCXBRRTDHJIC-BEQMOXJMSA-N 354.278 4.190 30 40 FIEB O=C1/C(=N\c2ccccc2)C(n2nnc3ccccc32)=C(O)c2ccccc21 9270266 VOQCTSMVWUJMMO-NMWGTECJSA-N 366.380 4.284 30 40 FIEB COc1ccc2cc(C(=O)OCc3cn4ccccc4c3C#N)c(C)nc2c1 10915252 CPFCZZCDWZOYBV-UHFFFAOYSA-N 371.396 4.033 30 40 FIEB C=CCN1C(=O)/C(=C\c2cc(Cc3ccccc3)ccc2O)SC1=S 59417903 GDKIKMBBHGURDD-QGOAFFKASA-N 367.495 4.370 30 40 FIEB CCCOc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)c(C#N)c1 225769839 POSJUGAMKOGMPP-UHFFFAOYSA-N 364.445 4.034 30 40 FIEB Cc1cccc(NC(=O)COc2ccc(/C=N/Nc3ccccc3)cc2)c1 409004666 BBVMPKKIRIHBJB-HZHRSRAPSA-N 359.429 4.459 30 40 FIEB Cc1ccc(NC(=O)CSc2nc3c(cc2C#N)CCCCC3)cc1 860543 KADGDCMLGCYBHU-UHFFFAOYSA-N 351.475 4.261 30 40 FIEB COc1ccc2cc(C#N)c(SCC(=O)Nc3ccccc3C)nc2c1 1223593 XEGMBHIHKLXVLX-UHFFFAOYSA-N 363.442 4.154 30 40 FIEB C=CCSc1nc2nc3c(cc2c(=O)n1-c1ccccc1C)CCCC3 2198633 BNMKXNQAAPYXMD-UHFFFAOYSA-N 363.486 4.246 30 40 FIEB N#Cc1cccc(NC(=O)CCCOc2ccc(Br)cc2)c1 2622873 KWYKTLMWEZIDDR-UHFFFAOYSA-N 359.223 4.118 30 40 FIEB CCOc1ccc(/N=C2\NC(=O)/C(=C\c3c[nH]c4ccccc34)S2)cc1 4545130 NOAUMSWGIQNSFR-WOJGMQOQSA-N 363.442 4.458 30 40 FIEB O=C(O)C(=O)/C(=C\c1ccccc1OC(F)F)c1ccc2ccccc2n1 4882635 ZNXNATUOKXCRGX-KAMYIIQDSA-N 369.323 4.031 30 40 FIEB CC(C)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccc(F)c1 5444143 KQWGJAZVHNSIEI-SFHVURJKSA-N 353.393 4.060 30 40 FIEB COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/Nc2ccccn2)cc1 5694570 XTCJUUPOEIFRFK-BUVRLJJBSA-N 369.428 4.389 30 40 FIEB CC/C(C)=N\N=C1/N=C(O)[C@H](CC(=O)Nc2ccc(F)c(Cl)c2)S1 6995669 BXLPDKHHFBQWTD-YSFZWLMESA-N 370.837 4.022 30 40 FIEB CCOc1cc(/C=N/Nc2ccc(Br)cc2)ccc1OCC#N 15008830 ICCQVOJJZDJSDU-UDWIEESQSA-N 374.238 4.196 30 40 FIEB C=CCn1cnnc1SCC(=O)c1cc(C)n(-c2cccc(C)c2)c1C 44030262 HMADEKQFBGWBNC-UHFFFAOYSA-N 366.490 4.155 30 40 FIEB C=CCSc1nnc(NC(=O)[C@H](CC)Oc2ccc(CC)cc2)s1 224196523 YMCLVUDGBUIXAN-AWEZNQCLSA-N 363.508 4.175 30 40 FIEB C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(F)cc1 224910132 GYIIURUQKLIWAO-UHFFFAOYSA-N 359.344 4.226 30 40 FIEB C#CCOC(=O)/C=C/c1cc(Cl)c(OCc2cccc(F)c2)c(OC)c1 226335683 OCBWNHXFWFZEAG-BQYQJAHWSA-N 374.795 4.256 30 40 FIEB CC[C@@H]1c2ccsc2CCN1C(O)=Nc1ccc2nnc(C(C)C)n2c1 330015352 NUWUSERQRURLDF-OAHLLOKOSA-N 369.494 4.469 30 40 FIEB C=C[C@H](C)N1C(=O)S/C(=C\c2cccn2-c2ccc(N(C)C)cc2)C1=O 408959848 GWHPZQPVBSBJST-RVAQLADHSA-N 367.474 4.154 30 40 FIEB CN(C)c1ccc(/C=C/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc1 408966281 ZGSKSPBUDLQNGQ-FKKWJZCKSA-N 367.449 4.340 30 40 FIEB O=C(Nc1ccc(Cl)c(Cl)c1)O/N=C/c1ccc([N+](=O)[O-])cc1 821779 OSUJLJMSMAIKFV-CAOOACKPSA-N 354.149 4.484 30 40 FIEB COc1cccc(/C=N/n2cnnc2SCc2ccccc2Cl)c1 1917909 CRCYWGJYEFIWPB-KEBDBYFISA-N 358.854 4.115 30 40 FIEB C=CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1ccco1 2323041 FOHYJJCXSMNBII-UHFFFAOYSA-N 368.462 4.072 30 40 FIEB COc1cccc(OC)c1C(=O)Nc1sc2c(c1C#N)CCCCC2 4079567 XZRPDLQARUIGQQ-UHFFFAOYSA-N 356.447 4.158 30 40 FIEB CC(C)c1nc(N/N=C/c2ccc(Cl)cc2Cl)cc(N(C)C)n1 5849712 AUEHHWLRJSBEDE-DJKKODMXSA-N 352.269 4.419 30 40 FIEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccnc1 19855115 DHDAGYCHGSQYCE-IBGZPJMESA-N 368.477 4.029 30 40 FIEB CC1(C)Cc2nc(N3CCC(Cc4ccccc4)CC3)c(C#N)cc2CO1 20573728 LDERULZWZYPNCD-UHFFFAOYSA-N 361.489 4.264 30 40 FIEB COc1ccc(C(=O)Oc2ccc(/C=N/Nc3nc(C)cs3)cc2)cc1 409061446 XCUFSXQUBZUBGN-RGVLZGJSSA-N 367.430 4.125 30 40 FIEB COc1ccc([C@H]2C3=C(CCCC3=O)N=C3c4ccccc4C(=O)[C@@H]32)cc1 1458724 JANRNVVSRSVHGD-PZJWPPBQSA-N 357.409 4.101 30 40 FIEB CCc1ccc(/N=C2/NC(=O)/C(=C\c3cc(Cl)ccc3O)S2)cc1 6555754 DVFYUKYAOZHPCN-MHWRWJLKSA-N 358.850 4.500 30 40 FIEB C=CCn1c(C)cc(C(=O)COc2ncnc3sc4c(c23)CCC4)c1C 6947162 LVQGBSUXKNSYKH-UHFFFAOYSA-N 367.474 4.046 30 40 FIEB CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccccc1 9011868 ZXPNQKLCTHUKAY-IBGZPJMESA-N 365.429 4.074 30 40 FIEB FC(F)(F)C(F)(F)SCCNCCSC(F)(F)C(F)(F)F 97950008 MEGPKLXRIUUZSI-UHFFFAOYSA-N 373.281 4.353 30 40 FIEB C=CCN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccc2ccccc2c1 225062792 MKCRURUHCHCBMV-UHFFFAOYSA-N 359.397 4.499 30 40 FIEB CNC(=S)N/N=C1/c2cc(Cl)ccc2-c2c(Cl)cc(Cl)cc21 1722505 NPKLLGQEHMTCJN-ZHZULCJRSA-N 370.692 4.474 30 40 FIEB COc1cccc(/C=N/NC(=S)Nc2ccc(Cl)cc2Cl)c1 2318840 HYHCBOYGKJDOJX-GIJQJNRQSA-N 354.262 4.323 30 40 FIEB C=CCSc1nnc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)s1 7594440 BBFLEYVKNUEDDX-UHFFFAOYSA-N 369.899 4.266 30 40 FIEB C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 12781586 KBJJYXJQCLRKFW-JTQLQIEISA-N 366.751 4.219 30 40 FIEB Cc1noc2c1[C@@H](c1cccc(Br)c1)C1=C(CCCC1=O)N2 13724628 FDFDKTQIFONXDF-OAHLLOKOSA-N 359.223 4.310 30 40 FIEB CCOC(=O)c1sc(NC(=O)C23CC4CC(CC(C4)C2)C3)c(C#N)c1C 13965247 NMEBKAGUTTYGIB-UHFFFAOYSA-N 372.490 4.260 30 40 FIEB C=CCn1c(C)c(/C=N/NCc2ccc(OC)c(OC)c2)c2ccccc21 20196032 BYOQLJHASMSSRX-BUVRLJJBSA-N 363.461 4.277 30 40 FIEB CN(C)Cc1c(O)ccc2c1O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 20533286 CKHSZRZJPOCIOT-PXNMLYILSA-N 364.228 4.377 30 40 FIEB COc1ccc(OC)c(/C=N/O[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)c1 24036896 BKKFQIWGMWYGTQ-BFTVFPACSA-N 370.449 4.007 30 40 FIEB Cn1c(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cc(Cl)c1Cl 40089624 HAODNMOUVJCQJM-MRVPVSSYSA-N 362.138 4.236 30 40 FIEB CCN(CC)c1nc(-c2ccc(Cl)c(Cl)c2)c(C#N)c(N)c1C#N 96336701 MIIYVXJNTLTMJH-UHFFFAOYSA-N 360.248 4.227 30 40 FIEB C=CCSc1nnc(NC(=O)[C@H](CC)Oc2ccccc2Cl)s1 223193177 UEUPGPCFAPPBTC-NSHDSACASA-N 369.899 4.266 30 40 FIEB C#CCOc1ccc2ccccc2c1/C=C1/N=C(c2ccccc2)OC1=O 408816134 KOJYTDJQWHMHAT-HMMYKYKNSA-N 353.377 4.196 30 40 FIEB N#CCc1ccc(NC(=O)N2CC3(CCC3)[C@H]2C2CCOCC2)c(Cl)c1 577276422 WEAINMALSQTCSG-GOSISDBHSA-N 373.884 4.219 30 40 FIEB N#Cc1cc2c(nc1NC(=O)c1cscc1C(F)(F)F)CCCC2 598825288 ZUBGXUMAMMVAMI-UHFFFAOYSA-N 351.353 4.165 30 40 FIEB CCOC(=O)c1ccccc1CSc1nc2c(cc1C#N)CCCC2 817978 KZCVJQIUWUEXCE-UHFFFAOYSA-N 352.459 4.301 30 40 FIEB CC1(C)CC(=O)C([C@@H](c2ccc(Cl)cc2)[C@@H](C#N)C(N)=S)=C(O)C1 1087479 RGLKMAXBVHBMOU-DOMZBBRYSA-N 362.882 4.051 30 40 FIEB CCOc1ccc(N(CCC#N)C(=O)CN(C)[C@H](C)c2cccs2)cc1 10207390 PQSKKWVIKNODGP-MRXNPFEDSA-N 371.506 4.086 30 40 FIEB CC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)C(C#N)(C#N)[C@@H]2C=Cc3ccccc3N12 13479758 CWLFGOPSWCIDPP-PCCBWWKXSA-N 373.843 4.330 30 40 FIEB CC(=O)Nc1ccc(C(=O)Nc2cccc(C#Cc3cccs3)c2)cc1 22754226 QRJJPDVCOWDMHP-UHFFFAOYSA-N 360.438 4.359 30 40 FIEB O=C1CSC(=S)N1/N=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1 33567997 IHIQJHAAJLNFCO-GXHLCREISA-N 370.377 4.160 30 40 FIEB CCCCCCCCCCCC[C@@H](C[N+](C)(C)C)OP(=O)(O)O 95803180 JIEKULUKSDKCJM-KRWDZBQOSA-O 352.476 4.482 30 40 FIEB C#C[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118915138 GVBHYHFYTCVSPY-TZXQKUFUSA-N 358.522 4.325 30 40 FIEB CN1C2=C(C(=O)CCC2)C(c2cn(C)c3ccccc23)C2=C1CCCC2=O 408900239 XQBKTTBNNJPSCQ-UHFFFAOYSA-N 360.457 4.222 30 40 FIEB CN(C)c1ccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc1 1650324 ZODVXVXCAGSHMO-LFVJCYFKSA-N 368.440 4.012 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(C)cc2)C[C@H]1c1ccccc1OC 4919979 AFLZQWWRXPVFGB-SIKLNZKXSA-N 364.441 4.323 30 40 FIEB COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)Nc1ccc(CC#N)cc1 9335791 RXYUKOFVWCFAJH-ZDUSSCGKSA-N 357.841 4.162 30 40 FIEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)CCc3ccco3)c2)c1 12863795 QPBRMWQQGPGYCE-UHFFFAOYSA-N 373.408 4.037 30 40 FIEB CC(=O)Nc1ccc(/C(C)=N/OCc2cc(Cl)c3c(c2)OCCO3)cc1 22195462 NBMYLBMAXJKEKH-WSDLNYQXSA-N 374.824 4.010 30 40 FIEB CC(C)(NC(=O)Nc1ccc(C#N)cc1)c1ccc(Br)cc1 32936988 CVVCYOMLXULXQL-UHFFFAOYSA-N 358.239 4.378 30 40 FIEB Cc1cc2cc(C#N)c(SCC(=O)N3CCC(C)CC3)nc2cc1C 34791481 BFMJGUSSWZAHBN-UHFFFAOYSA-N 353.491 4.074 30 40 FIEB CCCCCCCCCCCCOC(=O)NC[C@@H]1CCS(=O)(=O)C1 59568687 GMBKEAIZBSIRMJ-KRWDZBQOSA-N 361.548 4.068 30 40 FIEB O=C1C(=O)N(c2ccc(O)cc2)[C@@H](c2ccccc2)/C1=C(\O)c1ccccc1 104138021 PUZNUNAVSUVFIY-NHFXJNLRSA-N 371.392 4.019 30 40 FIEB C=CCN(c1ccccc1Br)S(=O)(=O)c1ccc(C)cc1 224684752 WHRUYYMGBOFZQN-UHFFFAOYSA-N 366.280 4.139 30 40 FIEB COc1ccc(C2(C(=O)Nc3ccc(OC)c(C#N)c3)CCCCC2)cc1 225768258 FPJDFZWKRSBBSV-UHFFFAOYSA-N 364.445 4.416 30 40 FIEB C/C(=N\NC(=S)NCc1ccccc1)c1cccc(C(F)(F)F)c1 5020550 CMOBZCWNUQDFDN-WSDLNYQXSA-N 351.397 4.094 30 40 FIEB O=c1c(/C=N/c2nc3ccccc3s2)coc2ccc([N+](=O)[O-])cc12 5605067 IXZLFLIBZGYELX-QGMBQPNBSA-N 351.343 4.062 30 40 FIEB CCOc1cc2c3c(c1)/C(=N\c1ccc(O)cc1)C(=O)N3C(C)(C)C=C2C 12406282 CUJPQNPENLMKJE-FCDQGJHFSA-N 362.429 4.454 30 40 FIEB Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccc(C#N)c(Cl)c1 12924562 PKBQMUWQBNSXBV-UHFFFAOYSA-N 358.873 4.252 30 40 FIEB C=CCn1c(-c2cccnc2)nn(CN2CCC[C@H]3CCCC[C@@H]32)c1=S 14161698 WGSVHGOUGIJFSK-AEFFLSMTSA-N 369.538 4.274 30 40 FIEB CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OC(C)C 19535468 XYYVUIYOOVGQSV-HXUWFJFHSA-N 369.461 4.005 30 40 FIEB O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1cccc2cccnc12 24507108 FCEHCTKWXRCRQU-UHFFFAOYSA-N 354.331 4.035 30 40 FIEB C=CCSc1ccccc1C(=O)NCCCc1ccc(OC)c(OC)c1 219816762 LAVSTKNOMQELRL-UHFFFAOYSA-N 371.502 4.345 30 40 FIEB Cc1cccc(C)c1-n1c(C)cc(/C=N/Nc2ncccc2[N+](=O)[O-])c1C 409090949 RVFHLFMDLZLKNX-WSDLNYQXSA-N 363.421 4.460 30 40 FIEB N#Cc1nc(-c2ccccc2C(F)(F)F)oc1NCCN1CCCCC1 526052529 XXRNOANTPFGZAQ-UHFFFAOYSA-N 364.371 4.130 30 40 FIEB C[C@@](C#N)(CCc1ccccc1)NC(=O)c1cscc1C(F)(F)F 598817774 AVYABPLZECXCJT-INIZCTEOSA-N 352.381 4.412 30 40 FIEB CC/N=C1\S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1CC 5552145 VBTKVYSGTHFJFD-BDYZYUDZSA-N 371.418 4.167 30 40 FIEB C/C(=N\N=c1/[nH]c(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccc(F)cc1 5910309 JCKUWSRGBAJZDU-RGVLZGJSSA-N 356.382 4.115 30 40 FIEB CC1(C)CC(=O)C2=C(C1)NC(=O)N[C@H]2c1cccc(Oc2ccccc2)c1 6617201 FAUBTTDYZOADGM-FQEVSTJZSA-N 362.429 4.476 30 40 FIEB COc1cccc(NC(=S)N/N=C(\C)c2ccccc2OC(F)F)c1 15354392 RPOQMSXHBQFZEJ-SRZZPIQSSA-N 365.405 4.007 30 40 FIEB Cc1ccc(C(=O)C2CCN(Cc3cc(C#N)ccc3F)CC2)c(C)c1 26644375 CHTUFBYLRDKSSK-UHFFFAOYSA-N 350.437 4.409 30 40 FIEB N#CCCn1ccc(NC(=O)Nc2cccc(COC3CCCCC3)c2)n1 97164681 OBRLEGVVPSFNNR-UHFFFAOYSA-N 367.453 4.290 30 40 FIEB CCCCCCCCNC(=S)N1CCN(c2ccccc2F)CC1 100339577 VLAXQNWRLMERKQ-UHFFFAOYSA-N 351.535 4.183 30 40 FIEB C[C@H](NC(=S)Nc1ccc(CC#N)cc1)c1ccc(N2CCCC2)cc1 225694665 LEGQEMOTNBVQSO-INIZCTEOSA-N 364.518 4.400 30 40 FIEB COc1c(Cl)cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1Cl 408594037 RPQBRZLIXKSIPN-QGMBQPNBSA-N 355.177 4.461 30 40 FIEB Cc1sc(NC(=O)C(C)(C)C#N)nc1-c1ccc(Br)cc1 515434832 ZLGZDRWFJPWPMK-UHFFFAOYSA-N 364.268 4.369 30 40 FIEB Cn1cccc1/C=C1/S/C(=N\c2ccc(Cl)cc2Cl)NC1=O 2422553 YFTYTABLAHGXML-MDWZMJQESA-N 352.246 4.224 30 40 FIEB C=CCn1c(SCC(=O)N[C@H](C)c2ccc(F)cc2)nc2ccccc21 4485668 RRPUUKGWUSFTAZ-CQSZACIVSA-N 369.465 4.331 30 40 FIEB COc1cc(/C=N/Nc2ccc(Cl)c(Cl)c2)cc(OC)c1OC 5163094 CDNMMEVPISBGND-DJKKODMXSA-N 355.221 4.465 30 40 FIEB C=CCSc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1 6023655 SHRFQJRODBHVNV-UHFFFAOYSA-N 364.879 4.205 30 40 FIEB C/C(=N\NC(=S)Nc1cccc(C)c1C)c1cc2ccccc2oc1=O 7008031 OCXTYZAUUFQWNB-HYARGMPZSA-N 365.458 4.120 30 40 FIEB CN(c1cccc(/N=C/c2c(Cl)cccc2Cl)c1)S(C)(=O)=O 19855693 RGHZMTITWSCCMH-VCHYOVAHSA-N 357.262 4.140 30 40 FIEB C=CCOc1ccc(/C=C2\SC(=S)N(CCC)C2=O)cc1OCC 409328704 AEXAFHXZEJYLLS-VBKFSLOCSA-N 363.504 4.261 30 40 FIEB C[C@H]1CCN(Cc2ccc(Cl)cc2C#N)CCN1Cc1ccccc1 1653472405 IRKXTLMDRDDDLC-KRWDZBQOSA-N 353.897 4.308 30 40 FIEB F[C@H](OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F)C(F)(F)F 1848350215 JPMFKQBIYVBUAD-PVQJCKRUSA-N 352.046 4.218 30 40 FIEB CC(C)(C)c1nc2ccccc2n1C1CN(c2ncc(C#N)cc2Cl)C1 1889186649 QIZVSYUVUXDCRA-UHFFFAOYSA-N 365.868 4.315 30 40 FIEB Cc1ccc(S(=O)(=O)N/N=C/c2cccc(Oc3ccccc3)c2)cc1 863726 JOPSKBQRDWFSDE-RCCKNPSSSA-N 366.442 4.100 30 40 FIEB CCOc1ccc2cc(C#N)c(SCC(=O)NC3CCCCC3)nc2c1 891565 OIDPOXVJVMCTIO-UHFFFAOYSA-N 369.490 4.046 30 40 FIEB COc1ccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CCC4)no2)cc1 2465565 JKWBKXHLKIHMPX-UHFFFAOYSA-N 365.414 4.024 30 40 FIEB C=CCNC(=S)/C(=C(/O)c1ccc([C@@H](C)CC)cc1)[n+]1ccccc1 6168524 XLWOXJAAEIRMPP-INIZCTEOSA-O 353.511 4.474 30 40 FIEB COc1ccccc1/C=C/C(=O)c1ccc(I)cc1 8322617 QTFHLEMTOWQSLX-DHZHZOJOSA-N 364.182 4.196 30 40 FIEB CC(C)CCNC(=O)/C(=C/c1ccc(C#N)cc1)c1nc2ccccc2[nH]1 12627248 JBKNWMPCNZPNCF-QGOAFFKASA-N 358.445 4.137 30 40 FIEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H](C)c1ccccc1Cl 12912525 LSUQKADKQXMSOK-GFCCVEGCSA-N 353.809 4.395 30 40 FIEB CC1(C)OB(c2csc(-c3ccccc3C(F)(F)F)n2)OC1(C)C 198091995 DHLWSYCARWRECP-UHFFFAOYSA-N 355.190 4.128 30 40 FIEB CC(=O)Oc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1C#N 225680735 XLKHJZVEHGUZCP-UHFFFAOYSA-N 362.429 4.243 30 40 FIEB Cc1ccc2cc(C(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)[nH]c2c1 520271358 GAKXCARXIPIDSK-QGZVFWFLSA-N 357.335 4.490 30 40 FIEB N#Cc1cccc(COc2cccc(CNCC3(O)CCCCCC3)c2)c1 609804980 HHLQUPPEEKANSH-UHFFFAOYSA-N 364.489 4.312 30 40 FIEB Cc1ccc2oc(C(=O)Nc3sc4c(c3C#N)CCCC4)cc(=O)c2c1 5346909 ORUYAGINCDTKGV-UHFFFAOYSA-N 364.426 4.166 30 40 FIEB C[C@@H](SCc1ccc(C#N)cc1)c1nc(N)nc(Nc2ccccc2)n1 12741245 GPXPVJIVGMEMTC-CYBMUJFWSA-N 362.462 4.063 30 40 FIEB Cc1nn(-c2ccccc2)c(COc2ccc3c(C)cc(=O)oc3c2)c1C#N 26865849 IVTVDPCCXTUPGT-UHFFFAOYSA-N 371.396 4.046 30 40 FIEB C=CCOc1ccc(NC(=O)C2(C)COC(C)(C)OC2)c2ccccc12 225915469 JVHOYPWKAWYXLS-UHFFFAOYSA-N 355.434 4.132 30 40 FIEB C=CCOc1ccc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)cc1OCC 409010059 DDESMLKAFACQER-VLURKWGBSA-N 361.463 4.485 30 40 FIEB COCCN1C(=O)/C(=C/c2ccsc2)S/C1=N\c1ccc(OC)cc1 3766246 KZPLTVVLEIPYBM-UGZHYMOWSA-N 374.487 4.007 30 40 FIEB COc1cccc(/C=C/C(=O)c2ccc(N3CCCC3)c(F)c2)c1OC 7586543 HMLMHAMXZGNWSW-PKNBQFBNSA-N 355.409 4.339 30 40 FIEB O=C1N/C(=N/c2ccc(Cl)c(Cl)c2)S/C1=C\c1cccnc1 16669820 CKWVPAGKNVWEAU-MLPAPPSSSA-N 350.230 4.280 30 40 FIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2)cc1 17245809 DPWRSMMXBGISFS-LJQANCHMSA-N 374.396 4.074 30 40 FIEB C=CCOc1ccc(C(=O)N2CCCC[C@@H]2CCN2CCCCC2)cc1 21170479 JLPDCYAHPVOSES-HXUWFJFHSA-N 356.510 4.122 30 40 FIEB Cc1ccc(N/N=C(/C(=O)c2ccc(Cl)cc2)C(=O)C(F)(F)F)cc1 27015728 CQRMGKKVHPUGDX-UCQKPKSFSA-N 368.742 4.431 30 40 FIEB N#Cc1ccc(CN2CCC[C@H]2C(=O)Nc2cc(Cl)ccc2Cl)cc1 32825502 BZAXMFUPXRPXBT-SFHVURJKSA-N 374.271 4.468 30 40 FIEB O=C[C@@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 38825576 AAAFQLPJNOITCL-GOSISDBHSA-N 371.436 4.335 30 40 FIEB COc1cc(N/C=C/C(=O)c2ccc(Br)cc2)cc(OC)c1 44843390 FOMALQCAFCBYQE-BQYQJAHWSA-N 362.223 4.275 30 40 FIEB CCCCCCCCCCCCCC(=O)N(CCC(=O)O)CCC(=O)O 100934067 RVQPWMVYLJUQHT-UHFFFAOYSA-N 371.518 4.466 30 40 FIEB C#C[C@]1(O)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CCC23OCCO3)C1 118915152 VCQVEQNCPAVVLX-YRCTWBNTSA-N 358.522 4.137 30 40 FIEB C=CCN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(OC)c(F)c1 225107473 ZERKLQAFIAMTIM-UHFFFAOYSA-N 369.845 4.177 30 40 FIEB N#CCc1ccc(NC(=O)N2CCc3c(CC#N)cccc3C2)c(Cl)c1 685939097 GBUXBNUPEFYIQK-UHFFFAOYSA-N 364.836 4.062 30 40 FIEB Cc1ccc2c(c1)c(B1OC(C)(C)C(C)(C)O1)cn2C(=O)OC(C)(C)C 1775954704 VNYDSZKOZVVGTF-UHFFFAOYSA-N 357.259 4.032 30 40 FIEB COc1ccc(CCNc2oc(COc3cccc(C)c3)nc2C#N)cc1 3903592 OGEKTVLVTCYURO-UHFFFAOYSA-N 363.417 4.097 30 40 FIEB Cc1[nH]c2ccccc2c1/C=N/Nc1ncnc2c1cnn2-c1ccccc1 4754514 QSVYPHVMLNSRIM-BHGWPJFGSA-N 367.416 4.051 30 40 FIEB CC/N=C1\S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1CC 5552148 ZXMPKMIYHMFNFE-BDYZYUDZSA-N 371.418 4.167 30 40 FIEB O/N=C1\CC/C=C/CC/C=C/CC[C@@H]1Sc1nnnn1-c1ccccc1 5604631 TWXXYOHCSZHWHQ-OHVNTKJBSA-N 369.494 4.420 30 40 FIEB C=CCOc1ccc(/C=C(\CC(=O)O)c2nc3ccccc3o2)cc1OC 7914000 VMXKOZAXODNUPD-RVDMUPIBSA-N 365.385 4.417 30 40 FIEB COc1ccc([C@@H]2CCCCCN2C(=O)COc2ccc(C#N)cc2)cc1 8735161 SXGWEESCVOAKFR-NRFANRHFSA-N 364.445 4.090 30 40 FIEB N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(N2CCCC2)nc1 21143610 ZXJFANOMTKCJRB-UHFFFAOYSA-N 368.440 4.473 30 40 FIEB C=CCNc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(C)cc1 39844271 COYKELCJKPQHRH-UHFFFAOYSA-N 372.421 4.220 30 40 FIEB Cc1ccc(C(=O)c2c(/C=C/N(C)C)oc3cc(C#N)c(C#N)cc23)cc1 66087651 PPUNFGRZTBSISE-CMDGGOBGSA-N 355.397 4.248 30 40 FIEB Cc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2cccnc2)cc1 102525218 ZCAPIJFGABDPPQ-NHFXJNLRSA-N 370.408 4.016 30 40 FIEB O=C1C(=O)N(c2ccccc2)[C@H](c2ccccc2F)/C1=C(\O)c1ccccc1 104124503 SEERVJRHIZOEMS-YDJIHCHBSA-N 373.383 4.452 30 40 FIEB C=CCc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(OC)c1O 208684372 LAPUDBMASNOLQQ-ATVHPVEESA-N 367.426 4.370 30 40 FIEB O=C(c1ccc(Cl)cc1)[C@@H]1O[C@]12C(=O)Nc1c(Cl)cc(Cl)cc12 1624432 PDLFTPBJXAKBQW-HOCLYGCPSA-N 368.603 4.076 30 40 FIEB COc1ccc(C(=O)C[n+]2ccc(Cc3ccc(Cl)cc3)cc2)cc1 2684344 OCNHEOCVMFDHBD-UHFFFAOYSA-N 352.841 4.110 30 40 FIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCCc4ccccc4)[C@H]3C[C@H]12 4028459 VGHVAFRCSSCDCV-XARADAHVSA-N 353.506 4.133 30 40 FIEB biogenic COc1ccc2ccccc2c1/C=N/Nc1nncc(-c2ccccc2)n1 4476797 AOYBTVUQAVMMAE-LPYMAVHISA-N 355.401 4.146 30 40 FIEB C=CCNc1nnc(S[C@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)s1 11526762 XUUPFMVZYREQLR-HDPALTEOSA-N 363.552 4.402 30 40 FIEB C[C@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1cccc(Oc2ccccc2)c1 14607500 LRSNRDALZHUQSJ-SPLOXXLWSA-N 372.428 4.338 30 40 FIEB CN(C)c1ccc(/C=C2/S/C(=N/c3ccc(Cl)cc3)NC2=O)cc1 29135256 JRZJCZHOJRDUFS-LFIBNONCSA-N 357.866 4.298 30 40 FIEB C#CCCOc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccncc2)cc1 57991449 FPJJQNOOVROZGW-QFIPXVFZSA-N 369.424 4.255 30 40 FIEB FC(F)(F)[C@@](F)(Br)[C@](F)(Br)C(F)(F)F 95676721 WDEZAGXZUSQBLW-JCYAYHJZSA-N 359.836 4.232 30 40 FIEB in-vitro C=CCC1(C(=O)OC(C)(C)C)CCN(C(=O)OCc2ccccc2)CC1 163837173 PFOIHLZVMOUWPA-UHFFFAOYSA-N 359.466 4.323 30 40 FIEB C=CCN(c1ccccc1C)S(=O)(=O)c1ccc(Br)cc1 224723089 VXAGUZBMKNDNJK-UHFFFAOYSA-N 366.280 4.139 30 40 FIEB COc1ccc2ccc(OC)c(/C=N\NC(=S)Nc3ccccc3)c2c1 409019747 KKWISKCZDCTKNX-BKUYFWCQSA-N 365.458 4.178 30 40 FIEB C#CCn1c([C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)nc2ccccc21 4033576 DQCKSQRQVOWNQX-HNNXBMFYSA-N 363.848 4.152 30 40 FIEB Cc1ccc(S(=O)(=O)NN=C2[C@H](C)CC(C(C)(C)C)C[C@H]2C)cc1 6005846 FGSJBNDKHPRTBI-YGFGXBMJSA-N 350.528 4.358 30 40 FIEB CS/C(=N/S(=O)(=O)c1cccs1)Nc1ccc(C(C)C)cc1 18097417 SYKJAXRDZBAQFU-UHFFFAOYSA-N 354.522 4.391 30 40 FIEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccncc1 19228570 OTQHJFMREQMCOG-LJQANCHMSA-N 368.477 4.029 30 40 FIEB CCOc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCCC3)C2=O)cc1 20624453 YBCPVRWNIMMFBU-MOSHPQCFSA-N 365.429 4.003 30 40 FIEB C=CCNC(=O)[C@@H](C)Sc1ncnc2cc(-c3ccc(F)cc3)sc12 27090807 NNILXDODCJZCJJ-LLVKDONJSA-N 373.478 4.280 30 40 FIEB C#CCOc1cc([C@@H]2CC(O)=Nc3c2ncn3-c2ccccc2)ccc1OC 36353533 ULBGBIMLTRJMNR-KRWDZBQOSA-N 373.412 4.017 30 40 FIEB Fc1c(F)c(C(F)(F)F)c(F)c(F)c1-n1cc(Br)cn1 39315310 VUBOQTKRQRSBFF-UHFFFAOYSA-N 363.030 4.210 30 40 FIEB C=CCn1c(SCCCc2nc(-c3cccs3)no2)nnc1C1CC1 48362501 CPOIOZDABIVFBC-UHFFFAOYSA-N 373.507 4.178 30 40 FIEB COc1cc(C(=O)NC2(C#N)CCC2)ccc1OCc1ccccc1Cl 83923691 NYBPVXGYZKMTCV-UHFFFAOYSA-N 370.836 4.104 30 40 FIEB CCOc1cccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)c1 98085681 AVHKGHXKORMLJT-LFVJCYFKSA-N 369.424 4.344 30 40 FIEB CCCCCCCc1nnc(SCC(=O)Nc2ccccc2C)n1C 408560906 FNTQHOSHIQLPSD-UHFFFAOYSA-N 360.527 4.367 30 40 FIEB CCCC(=O)NC(=S)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 408626352 GPYKWCQAMWKHMB-NSHDSACASA-N 363.552 4.384 30 40 FIEB CCCOc1ccc(/C=N/NC(=S)Nc2cc(C)ccc2C)c(O)c1 3271231 RYGCMZRUSCIJMQ-UDWIEESQSA-N 357.479 4.118 30 40 FIEB CCc1ccc(-n2c(C)cc(/C=N/Nc3ccc([N+](=O)[O-])cn3)c2C)cc1 4047992 IBSBGMYNGLETNW-WSDLNYQXSA-N 363.421 4.406 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2cccs2)C[C@@H]1c1ccccc1OC 4918755 JRIWEFZFRLJMDT-DNVCBOLYSA-N 356.443 4.076 30 40 FIEB C[C@H]1CCC[C@@H](C)N1/C(=N/S(=O)(=O)c1ccccc1)c1ccccc1 5672723 OQWFVPCFUCKOEN-RRYLNPQJSA-N 356.491 4.085 30 40 FIEB COc1cccc(NC(=O)[C@@H](Oc2ccc(C#N)cc2)c2ccccc2)c1 7890277 WWRHHVSSKFCXKB-NRFANRHFSA-N 358.397 4.326 30 40 FIEB C=CCn1cnc2c(oc3nc(-c4ccccc4)c4c(c32)CCCC4)c1=O 12324952 GWADZJMFPWIIAB-UHFFFAOYSA-N 357.413 4.270 30 40 FIEB COc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccco3)ccc2C1=O 12861711 OAQPAOLGPSYGBM-ODLFYWEKSA-N 362.337 4.124 30 40 FIEB biogenic N#Cc1ccccc1-c1ccc(Cn2nc(-c3ccc(F)cc3)oc2=O)cc1 12863739 ATDKWSPCMZNPAB-UHFFFAOYSA-N 371.371 4.229 30 40 FIEB C=CCN1C(=O)c2[nH]nc(-c3c(C)cc(C)cc3O)c2[C@@H]1c1ccc(C)cc1 16753033 FVDJDERAYPTZGL-QFIPXVFZSA-N 373.456 4.439 30 40 FIEB C=CCc1cc(C(=O)N[C@H](C)c2ccc(F)cc2F)cc(OC)c1OC 24474658 KUSMPWDHHIEIKU-GFCCVEGCSA-N 361.388 4.202 30 40 FIEB C=CCN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 48289573 BMJCKBFYFQXBFA-UHFFFAOYSA-N 365.433 4.030 30 40 FIEB COc1ccc(/C=N/c2ccccc2-c2nc3ccccc3[nH]c2=O)cc1 101203178 IRHYAJQIIKYXDN-OEAKJJBVSA-N 355.397 4.349 30 40 FIEB CCN1c2ccc(/C=N/Nc3ncccc3[N+](=O)[O-])cc2C(C)=CC1(C)C 208508357 GTSGVDXHSSGGQS-LPYMAVHISA-N 365.437 4.458 30 40 FIEB Cc1cc(C)cc(/N=C/c2c(C)c(C#N)c3[nH]c4ccccc4n3c2=O)c1 1505840540 NKJOKYXCVZBHSG-WYMPLXKRSA-N 354.413 4.328 30 40 FIEB CC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@@H]1c1ccccc1Cl 1510944 WQURSXNVAZPXOM-LJQANCHMSA-N 354.837 4.470 30 40 FIEB C[C@@H]1S/C(=N/N=C/c2ccc(Cl)cc2)N(Cc2ccccc2)C1=O 4937989 YQZCRTKHBZHVCY-QMNVRMOGSA-N 357.866 4.194 30 40 FIEB O=C1C[C@@H](/C=C/c2ccccc2)CC2=C1[C@H](c1ccccc1)n1ncnc1N2 9190049 UNLYGRGVEDSGDH-AZZJSKFUSA-N 368.440 4.240 30 40 FIEB O=C(Nc1cccc(C#Cc2cccs2)c1)c1cc([N+](=O)[O-])ccc1F 40115081 WBHBMDWDVZOZPF-UHFFFAOYSA-N 366.373 4.448 30 40 FIEB C=CCn1c(SCc2cccc([N+](=O)[O-])c2C)nc2ccccc2c1=O 48331591 VQPFLUYNNVZROE-UHFFFAOYSA-N 367.430 4.091 30 40 FIEB COc1cc(N2CCCCC2)ccc1/C=N/Nc1ccc([N+](=O)[O-])cc1 409239380 MIDGXEMIXDYRTQ-XSFVSMFZSA-N 354.410 4.040 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccs2)C[C@@H]1c1cccc(OC)c1 4918874 AWRCGTJTUWYUEF-APWZRJJASA-N 356.443 4.076 30 40 FIEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](/C=C/c1ccccc1)n1ncnc1N2 5390573 JCOWSASSMIDHRN-WIMDODNTSA-N 368.440 4.359 30 40 FIEB C=CCN1C(=O)c2ccccc2N[C@H]1c1cc(C)n(-c2nccs2)c1C 9368174 BPULINVRXNNXDW-GOSISDBHSA-N 364.474 4.303 30 40 FIEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cccc(F)c1 12652859 RPGMPEIFNIZHQU-IBGZPJMESA-N 363.392 4.194 30 40 FIEB COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2ccc(C#N)cc2)cc1 12995016 SEIHYCCTCLQVCS-NRFANRHFSA-N 363.461 4.123 30 40 FIEB N#Cc1ccc(NCCNc2ncnc3sc(-c4ccccc4)cc23)nc1 32809984 FZNQYKIQDIXNNH-UHFFFAOYSA-N 372.457 4.149 30 40 FIEB C(=N/n1c(-c2ccco2)cs/c1=N/Cc1ccccc1)\c1cccnc1 103459083 QXNAASZXQFHCKG-GAAJVMOFSA-N 360.442 4.188 30 40 FIEB CC[C@H](C)Oc1c(Cl)cc(/C=C2/S/C(=N/C)N(C)C2=O)cc1OC 408929466 JVYACVKMUVZTAX-BBTICLAGSA-N 368.886 4.058 30 40 FIEB C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC(c2c[nH]c3ccccc23)CC1 684801859 CIDUVORLVBWFIA-UTKZUKDTSA-N 367.493 4.038 30 40 FIEB N#Cc1ccc(NC(=O)c2sc3nc4c(cc3c2N)CCCCC4)cc1 1438767 ITVMRZIAJVMELD-UHFFFAOYSA-N 362.458 4.271 30 40 FIEB CCOc1ccc(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)cc1OC 1842539 GJHLJYUREPOISE-GZTJUZNOSA-N 372.421 4.125 30 40 FIEB COc1ccc(NC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)cc1 6409260 UIIDYQOMPWUANZ-UHFFFAOYSA-N 358.397 4.251 30 40 FIEB CCN(C[C@H](C)C#N)C(=O)c1sc2nc(-c3ccco3)nc(C)c2c1C 47534056 NBEUDEBQDCMBKE-LLVKDONJSA-N 368.462 4.190 30 40 FIEB CCc1cccc2c(C(=O)[C@@H](C#N)C(=O)CSC3CCCC3)c[nH]c12 103780568 GBLACJCVNDPWSI-INIZCTEOSA-N 354.475 4.298 30 40 FIEB COc1cc(/C=N/c2ccc(Br)cc2)c([N+](=O)[O-])cc1OC 671625 ZMZFEMOGVBGQDU-RQZCQDPDSA-N 365.183 4.125 30 40 FIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCCc4ccccc4)[C@H]3C[C@@H]12 4028458 VGHVAFRCSSCDCV-ZFVIQDPVSA-N 353.506 4.133 30 40 FIEB biogenic CCCOc1ccccc1/C=N/Nc1nnc2c(n1)[nH]c1ccc(C)cc12 6593530 BSZLAAXPNVCRBU-CIAFOILYSA-N 360.421 4.049 30 40 FIEB Cc1ccc(-n2c(SCCC#N)nc3cc(Cl)ccc3c2=O)cc1 12820740 MWIJKQFMMPICOV-UHFFFAOYSA-N 355.850 4.353 30 40 FIEB COc1cc(/C=N/Nc2ccc(Br)cc2)cc(Cl)c1O 15008833 QAJABSPPXZZMHJ-CAOOACKPSA-N 355.619 4.263 30 40 FIEB C=CCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2cc(C)ccc2C)cc1 40066928 GIVIAFXDOLBRLA-MRXNPFEDSA-N 353.418 4.052 30 40 FIEB C#CCN(Cc1ccccc1Cl)C(=O)Nc1cc(OC)ccc1OC 62373382 MJCMKEWJAQJLEQ-UHFFFAOYSA-N 358.825 4.025 30 40 FIEB N/C(=N\O)c1cccc(NC(=O)OCC2c3ccccc3-c3ccccc32)c1 72284109 WUTFIEQKGGQGMQ-UHFFFAOYSA-N 373.412 4.142 30 40 FIEB C=CCN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(OC)c(C)c1 224646968 JNWTVEAPZBIKNH-UHFFFAOYSA-N 365.882 4.347 30 40 FIEB O=[N+]([O-])c1cccc(CO/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 408595615 XNFXPEPUCCQUTM-YBFXNURJSA-N 367.317 4.314 30 40 FIEB Cc1ccc(/N=C/c2ccc(O)c(I)c2)cc1C 408904240 GYSBTCDTBLTXLU-RQZCQDPDSA-N 351.187 4.364 30 40 FIEB C=CCc1cc(CO)cc(OC)c1OCc1ccc(Br)cc1 409126984 CNEDYJMCHOQUOX-UHFFFAOYSA-N 363.251 4.258 30 40 FIEB COc1ccc(/C=C2\S/C(=N\c3ccc(C)c(C)c3)NC2=O)c(OC)c1 1476312 BAOMGRLMMODLFC-ZDLGFXPLSA-N 368.458 4.212 30 40 FIEB ClC(Cl)(Cl)c1nc(N/N=C/c2ccccn2)c2ccccc2n1 5257623 XBPQLNOOVKBUPA-AWQFTUOYSA-N 366.639 4.298 30 40 FIEB COc1ccc(/C=C/C(=O)c2ccc(-c3ccc(C(=O)O)o3)cc2)cc1O 7910820 BUHVMOACESUMGF-KRXBUXKQSA-N 364.353 4.255 30 40 FIEB CSc1nc2n(n1)[C@H](c1cccc3ccccc13)C1=C(CCCC1=O)N2 8488455 IILYXPYSSRCDEU-GOSISDBHSA-N 362.458 4.175 30 40 FIEB Cc1ccc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)c(Br)c1 14092665 CSAQTDYOGGMHMQ-LBPRGKRZSA-N 359.223 4.035 30 40 FIEB N#Cc1c(NC(=O)CC2(C(=O)O)CCCCC2)sc2c1CCCCC2 16482424 YVQAJSNXGZYQEF-UHFFFAOYSA-N 360.479 4.252 30 40 FIEB C=CCN1C(=O)c2ccccc2N[C@H]1c1ccc(OC(F)F)c(OCC)c1 24034539 MIEQAMBXVJSIJI-GOSISDBHSA-N 374.387 4.439 30 40 FIEB C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)N1CCC(n3cc(CC(C)C)nn3)CC1)C2 48390800 IHJQJAZYLGOTNF-JTSKRJEESA-N 370.541 4.023 30 40 FIEB CC/C(C)=N\Nc1nc2c(OC)ccc(NC(=O)c3ccco3)c2s1 72229830 CQSAMMCEQZCIFI-JMIUGGIZSA-N 358.423 4.348 30 40 FIEB CCn1c(SCc2ccc(C#N)cc2OC)nnc1-c1ccc(F)cc1 155283186 FPCRUIGZRDQDLB-UHFFFAOYSA-N 368.437 4.277 30 40 FIEB COC(=O)c1c(/N=C/c2cccc(OC)c2O)sc2c1CC[C@H](C)C2 830538 AGLKFGAQMBQFDE-KKBVUKDESA-N 359.447 4.124 30 40 FIEB O=C1C(=Cc2coc3c(ccc4ccccc43)c2=O)C(=O)c2ccccc21 2348381 QRVFWIUQRQKQJM-UHFFFAOYSA-N 352.345 4.409 30 40 FIEB CC1(C)[C@H]2CC[C@]1(C)[C@H](OCC[N+](C)(C)CC(=O)OC1CCCCC1)C2 4350137 KYWMVDGDOMBOTE-LRXVAGHRSA-N 366.566 4.170 30 40 FIEB Cc1ccc(OCCN2C(=O)/C(=N\Nc3ccccc3)c3ccccc32)cc1 46084798 UIQXFNQANNQPRU-LVWGJNHUSA-N 371.440 4.237 30 40 FIEB CC(=O)Oc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1C#N 225756365 LSSHRYYUUIWPRM-UHFFFAOYSA-N 362.429 4.324 30 40 FIEB COC(=O)c1ccc(C)c(/N=C/c2cccn2-c2ccc(C(=O)O)cc2)c1 408932247 BRDGWXUCUFDXDL-LPYMAVHISA-N 362.385 4.021 30 40 FIEB C=CCc1cc(/C=C2/SC(=O)N(CC)C2=O)cc(OCC)c1OCC 409102688 SYBFLJOMLRILTF-FOWTUZBSSA-N 361.463 4.269 30 40 FIEB CC(=O)C1=C(O)C(=O)N(C23CC4CC(CC(C4)C2)C3)[C@@H]1c1ccc(C)cc1 4386772 HHOMBASTUISHBT-LZGZYFLISA-N 365.473 4.248 30 40 FIEB C=CCNc1nc(C(=O)OCC(=O)c2ccc(C(C)(C)C)cc2)cs1 5040202 HMNSJFLJVDRDLI-UHFFFAOYSA-N 358.463 4.078 30 40 FIEB C/C(=N\NC(=S)Nc1c(C)cccc1C)c1ccc(-n2ccnc2)cc1 6210367 LZMGUMZJXVADBU-XQNSMLJCSA-N 363.490 4.200 30 40 FIEB C#CCOc1ccc(Br)cc1/C=C/C(=O)c1ccc(OC)cc1 7939533 CYLMJZUBNGDMGQ-UXBLZVDNSA-N 371.230 4.366 30 40 FIEB C/C(=N/N=c1\[nH]c(-c2cccnc2)nc2ccccc12)c1ccc(C)cc1 8656324 RUGBTAIKJYLGMA-QQXSKIMKSA-N 353.429 4.258 30 40 FIEB CCOc1cc(-c2c(C#N)c(N)nc3c2CCc2ccccc2-3)ccc1O 19095832 SHFWXLJFNDXSPU-UHFFFAOYSA-N 357.413 4.072 30 40 FIEB CCC[C@H]1S/C(=N\N=C\c2cccs2)N(Cc2ccccc2)C1=O 33742765 OQAVORJZMXZSSV-TXVOGCCPSA-N 357.504 4.382 30 40 FIEB C=CCOc1cccc(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)c1 39744068 IWMUBNDHEYISOX-UHFFFAOYSA-N 364.489 4.411 30 40 FIEB C=CCOc1ccccc1C(=O)NCc1cccc(OCc2ccccn2)c1 40111867 LYVYEOCWLGPPII-UHFFFAOYSA-N 374.440 4.155 30 40 FIEB CCOc1ccccc1/N=C\c1cc(Br)cc([N+](=O)[O-])c1O 83292240 QACBLVCCKXZTEI-MFOYZWKCSA-N 365.183 4.212 30 40 FIEB CC1(C)CS/C(=N\CCc2ccccc2)N1C(=O)c1ccc(C#N)cc1 101946141 GJRZBVUHHDXYPW-ATJXCDBQSA-N 363.486 4.125 30 40 FIEB COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@H](C)[C@@H]2CCCC[C@@H]21 109039138 YNGMSUOORXTWSJ-WDSOQIARSA-N 370.493 4.153 30 40 FIEB CC[C@@H](C)Oc1c(Cl)cc(/C=C2/S/C(=N/C)N(C)C2=O)cc1OC 408929467 JVYACVKMUVZTAX-LACJMZEXSA-N 368.886 4.058 30 40 FIEB CN1C(=O)/C(=C\c2ccccc2Cl)S/C1=N\c1ccc(C(=O)O)cc1 409061111 VIULUNMHHNXGGT-GOIJELEESA-N 372.833 4.272 30 40 FIEB N#Cc1c(Cl)nc(N/N=C/c2ccc([N+](=O)[O-])cc2)c(Cl)c1Cl 4592242 RONJPEQKODPANX-NGYBGAFCSA-N 370.583 4.268 30 40 FIEB Cc1nc(-c2cccnc2)sc1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 5808933 NIZBFYLGJDSPQW-FPLPWBNLSA-N 351.387 4.318 30 40 FIEB Cc1cccc(/N=C2\NC(=O)[C@@H](Cc3ccc(Cl)cc3Cl)S2)n1 9086509 FFUIWDWZESKEQO-CYBMUJFWSA-N 366.273 4.159 30 40 FIEB Cc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc2c(c1)OCO2 12406362 WXTXDZFNBXVIQR-CKZKCJOCSA-N 362.429 4.477 30 40 FIEB N#Cc1cccc(C(=O)Nc2ccn(Cc3ccc(Cl)cc3Cl)n2)c1 27931745 TWIFEHKNDDHWBT-UHFFFAOYSA-N 371.227 4.362 30 40 FIEB COc1cc2c(cc1OC)C(=O)/C(=C\c1ccc(OC(C)C)c(OC)c1)C2 85876427 CBMFYAXTHOAIBJ-PXNMLYILSA-N 368.429 4.322 30 40 FIEB biogenic N#CC1(c2ccc(NC(=O)[C@H]3CCCN(Cc4ccccc4)C3)cc2)CC1 225901801 XJCHZVXQWCPHCQ-IBGZPJMESA-N 359.473 4.092 30 40 FIEB O=C(c1ccc2c(c1)OCO2)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575243154 UGYIZOPNFQCWML-UHFFFAOYSA-N 368.151 4.066 30 40 FIEB Cc1ccc2nc(SCC(=O)N[C@@H]3CCCC[C@H]3C)c(C#N)cc2c1 1222323 OBYDIAGTKPXSAJ-RHSMWYFYSA-N 353.491 4.202 30 40 FIEB Cc1ccc(C(=O)ON(C)/C=C/C(=O)c2ccc(Br)cc2)cc1 3118748 QXPMACODNRVGRF-VAWYXSNFSA-N 374.234 4.158 30 40 FIEB CCOc1ccc(/C=N/N=c2/[nH]c(-c3ccc(OC)cc3)cs2)cc1 4086311 TYQNCINRWWCHPT-UDWIEESQSA-N 353.447 4.085 30 40 FIEB CC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C 4783262 WFZJPTGGAJQTCK-VMYXTEHFSA-N 360.469 4.241 30 40 FIEB biogenic,in-vitro COc1cc(/C=C/C(=O)c2cccc(NC(C)=O)c2)cc(Cl)c1OC 7744189 VOMCYQCGCBCXFC-BQYQJAHWSA-N 359.809 4.212 30 40 FIEB CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C 12504523 DUSHUSLJJMDGTE-ZJPMUUANSA-N 374.908 4.037 30 40 FIEB world N#CCC[C@H](C#N)Cn1cnc2cc(-c3ccc(Cl)cc3)sc2c1=O 12908159 DAPPSAAKEQTEHX-GFCCVEGCSA-N 368.849 4.222 30 40 FIEB O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1cccs1)Nc1nonc1N2 40267177 GBXYZFBNVDHXJQ-PXAZEXFGSA-N 364.430 4.111 30 40 FIEB Cc1cc(/N=C/c2ccc(O[C@H](C)C(=O)O)cc2)ccc1Br 59249376 HYPTZHJUVJSJAG-AINDZBIGSA-N 362.223 4.360 30 40 FIEB O/N=C1/CC/C=C/CC/C=C/CC[C@H]1N1CCN(Cc2ccccc2)CC1 100976949 ZIAZVJXASDLHHH-UDTOAFNXSA-N 367.537 4.470 30 40 FIEB CCCCCCCCCCCC(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)OCC 104049003 MZYZWWSOBOROCS-IAGOWNOFSA-N 372.502 4.334 30 40 FIEB C#CCOc1c(Cl)cc(CNc2cccc([N+](=O)[O-])c2)cc1OCC 408556507 JBJQRCJVNFOFHD-UHFFFAOYSA-N 360.797 4.271 30 40 FIEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(N(C)C)cc3)S2)cc1C 11640046 OIEAWYVBTVKXLN-PDGQHHTCSA-N 351.475 4.261 30 40 FIEB COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](C)c1cccc(Cl)c1 32930867 MIWXYRMFUWOPAC-AWEZNQCLSA-N 372.852 4.257 30 40 FIEB C=CCN(CC=C)C(=O)CC12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2 100987500 RZIJOMLDPLEQJR-QEFXCSQDSA-N 352.316 4.311 30 40 FIEB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N/c1cccc(Br)c1 408740990 NKPFKCCSFGFONM-YDDPGSGASA-N 356.223 4.190 30 40 FIEB COC(=O)c1ccc(Cl)c(/N=C/c2cccn2-c2ccc(O)cc2)c1 409019492 SUVFCCZGEWQNRW-CIAFOILYSA-N 354.793 4.374 30 40 FIEB C=CC[C@H]1CN(C(=O)OCc2ccccc2)CCCN1C(=O)OC(C)(C)C 952960829 GHPKDBBJZDTHCY-SFHVURJKSA-N 374.481 4.211 30 40 FIEB Cc1sc(NC(=O)CSc2nnc(-c3ccccc3)o2)c(C#N)c1C 925456 HGIVTQHWIGAJIC-UHFFFAOYSA-N 370.459 4.017 30 40 FIEB C=CCN1[C@H]2CCC[C@@H]1CC(NC(=O)Nc1ccccc1C(F)(F)F)C2 4887886 WPBRIIFXOWZNSD-GOOCMWNKSA-N 367.415 4.398 30 40 FIEB C/C(C[C@H](CC(=O)O)c1cn(Cc2ccccc2)c2ccccc12)=N\O 5260664 WFCCJWKTCQENHL-HRKXOBMBSA-N 350.418 4.488 30 40 FIEB COc1cccc(/C=N/Nc2ncnc3sc4c(c23)CCCC4)c1OC 5530803 LRLXXGWDAJADRF-LSHDLFTRSA-N 368.462 4.033 30 40 FIEB C=CCSc1nnc(NC(=O)Cc2csc(-c3ccccc3)n2)s1 7594164 QKLWKAADMCDAND-UHFFFAOYSA-N 374.516 4.121 30 40 FIEB Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4c(c3)OCO4)n2)cc1 7778852 CEBRKYOCIDAPGD-OAHLLOKOSA-N 362.410 4.337 30 40 FIEB CN(CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCCc2ccccc21 8073153 LNIGHXQXUCXSRG-LJQANCHMSA-N 353.853 4.160 30 40 FIEB C=CCOc1c(Br)cc(CNC2CCCCC2)cc1OC 8470074 OQASKAPCCNBQGQ-UHFFFAOYSA-N 354.288 4.445 30 40 FIEB Cc1cn2c(/C=C/C(=O)c3cccc(N4CCCC4=O)c3)c(C)nc2s1 12525501 GTKOVXUNMABVTO-CMDGGOBGSA-N 365.458 4.036 30 40 FIEB Oc1ccccc1/C=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1 19682370 ADUBFULRLIEADB-UQQQWYQISA-N 369.468 4.114 30 40 FIEB CCOc1ccc(/C=N/Nc2ncnc3sc(C)c(C)c23)cc1OC 33045701 HOPBRNJBKBAHAD-ZVBGSRNCSA-N 356.451 4.161 30 40 FIEB C=CCn1c(Sc2ncc(C#N)cc2Cl)nnc1-c1ccccc1F 114708665 BAQVHAJWMBDZGA-UHFFFAOYSA-N 371.828 4.341 30 40 FIEB COc1ccc(-n2c(C)cc(/C=N/Nc3nc4ccccc4n3C)c2C)cc1 408649480 DPRFVNZSOLLJCO-OEAKJJBVSA-N 373.460 4.435 30 40 FIEB C=CCN1C(=O)S/C(=C/c2c(OC)ccc3ccc(OC)cc23)C1=O 409067918 DRWUKWYEFFNJLB-GZTJUZNOSA-N 355.415 4.079 30 40 FIEB CCN1C(=O)/C(=C\c2cc(C)n(C)c2C)S/C1=N/c1ccc(F)cc1 409235178 OBAPLOUPKYGXAD-WZOFUNJYSA-N 357.454 4.405 30 40 FIEB Cc1ccoc1C=Nn1c(C(C)C)nc2ccc(Br)cc2c1=O 409305665 OETHCEUWDXFBSV-UHFFFAOYSA-N 374.238 4.066 30 40 FIEB Cc1nc(C2CCN(c3c(C#N)cnc4c(Cl)cccc34)CC2)[nH]c1C 1655859402 PSKGQOVCLRITAA-UHFFFAOYSA-N 365.868 4.484 30 40 FIEB CCSc1nc2n(n1)[C@H](c1cccs1)C1=C(CC(C)(C)CC1=O)N2 4436384 UTEFHJHKKGWFBP-CQSZACIVSA-N 360.508 4.110 30 40 FIEB N#C[C@H](C1=NC(=O)CS1)[C@@H](CC(=O)c1cccs1)c1ccc(F)cc1 5341157 NJPPKTXZBNARBI-KBPBESRZSA-N 372.446 4.055 30 40 FIEB COc1ccc(N2CCc3c(C)c(C#N)c4nc5ccccc5n4c32)cc1 5453665 ALHSMCPHJTZHGR-UHFFFAOYSA-N 354.413 4.370 30 40 FIEB COc1cc(C(=O)Nc2cccc(C#N)c2)ccc1OCc1ccccc1 7265547 DCZRUGZQRWQTPH-UHFFFAOYSA-N 358.397 4.398 30 40 FIEB N#Cc1cccc(/C=C2\N=C(S)N(c3ccccc3C(F)(F)F)C2=O)c1 40034698 SCDOACLNIZXWLZ-ZROIWOOFSA-N 373.359 4.251 30 40 FIEB C=CCN(Cc1ccc(Cl)s1)C[C@H](O)c1cc(C)ccc1OC 89612039 GNBTURWHWFDHPQ-INIZCTEOSA-N 351.899 4.440 30 40 FIEB Cc1csc([C@H](C#N)C(=O)[C@H]2C[C@H]2c2ccccc2C(F)(F)F)n1 252586505 QOMROJGLVVTNMR-RWMBFGLXSA-N 350.365 4.450 30 40 FIEB Oc1ccc(/C=N/c2ccc(F)cc2F)cc1I 408966283 ZHDXYRLLESYZPO-REZTVBANSA-N 359.113 4.026 30 40 FIEB C#CCN1C(=O)S/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C1=O 409049408 WQXRLCJYUWFYTB-LDADJPATSA-N 367.401 4.074 30 40 FIEB CC(C)CC(=O)C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1F 626194 RJSWAFKEXXXFLF-FQEVSTJZSA-N 367.420 4.337 30 40 FIEB Cc1cccc(/N=C2\NC(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S2)n1 1453125 QMKLVHVBJIHFFL-ZDUSSCGKSA-N 366.273 4.159 30 40 FIEB C[C@H](CCc1ccccc1)NC(=O)CO/N=C/c1ccc(C(C)(C)C)cc1 3321281 FJOKYBFLFOYLPB-WCIBBKAISA-N 366.505 4.472 30 40 FIEB C[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2C#N)C1 4078858 DRGLEDDIATXXSJ-LHXVZLOVSA-N 367.430 4.305 30 40 FIEB N#Cc1cccc(C(=O)Nc2nc3ccccc3n2Cc2ccccc2)c1 27923140 QCTBSILMHNWSJL-UHFFFAOYSA-N 352.397 4.209 30 40 FIEB C=CCSc1nnc(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)s1 39989283 WSLYASOPXPNGSL-SNVBAGLBSA-N 369.899 4.184 30 40 FIEB CCc1ccc(C(=O)CN2CCS/C2=N/c2ccccc2OC)cc1 96839035 IMKXVLYVHNINLX-QZQOTICOSA-N 354.475 4.177 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2cccs2)C[C@@H]1c1ccc(N(C)C)cc1 812535 AWEFHQHEUGHFCJ-YLJYHZDGSA-N 369.486 4.133 30 40 FIEB CC(=O)NC(Nc1cccc(C(F)(F)F)c1)(C(F)(F)F)C(F)(F)F 2345523 WALUTKVGURTCKF-UHFFFAOYSA-N 368.199 4.074 30 40 FIEB COc1ccccc1/C=C/C=C1\Oc2cc(OC(=O)C(C)C)ccc2C1=O 5825413 XJWDCRZWMVWAHE-YZFGBBDKSA-N 364.397 4.429 30 40 FIEB biogenic O=C(/C=C/c1c(Cl)nc2ccccn12)c1ccc(Cl)c([N+](=O)[O-])c1 7785142 AZOOVIJJYHBIBO-VOTSOKGWSA-N 362.172 4.445 30 40 FIEB Cc1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccco3)CO4)C2=O)o1 13690391 LPMSIVQLVPWUOH-OCKHKDLRSA-N 363.369 4.149 30 40 FIEB CCOC(=O)/C(=N\Nc1ccccc1)Sc1nc2ccccc2s1 15134137 YOILRDSDOOZOGG-HMMYKYKNSA-N 357.460 4.377 30 40 FIEB CCCCC1CCC(c2nc(C#N)c(NCCCN3CCOCC3)o2)CC1 19897746 MXVIYFUCYJQMEF-UHFFFAOYSA-N 374.529 4.144 30 40 FIEB COc1cc2c(cc1OC)-n1cccc1[C@H](c1ccc(C#N)cc1)CC2=O 225380659 QVWKPKGONKMPTI-INIZCTEOSA-N 358.397 4.084 30 40 FIEB C[C@H]1CCN(c2cc(C(=O)Nc3cc(C(C)(C)C)sc3C#N)ccn2)C1 331794854 VXXUJZCFRLRGEU-ZDUSSCGKSA-N 368.506 4.411 30 40 FIEB Cc1c(Br)c(C=NO)c(C)n1-c1ccc(Br)cc1 408854976 LKQSZHVRPXNNRP-UHFFFAOYSA-N 372.060 4.427 30 40 FIEB CC1=NOC(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 408936325 FPIGDYMHGKJVTK-OVCLIPMQSA-N 372.764 4.143 30 40 FIEB N#CCCN(C(=O)COc1ccc(Cl)cc1Cl)C1CCCCC1 1640263 AWOCDYJAWQWKGH-UHFFFAOYSA-N 355.265 4.447 30 40 FIEB O=c1c2c(ncn1/N=C/c1ccccc1)-c1ccccc1CC21CCCC1 2278719 FGVXCRFWZONYDD-MFKUBSTISA-N 355.441 4.160 30 40 FIEB CCC(=O)O[C@H]1CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]12C 4742474 ZDGBLAAWXWQTOP-QLUCPXIRSA-N 370.489 4.041 30 40 FIEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cccc2ccccc12 4836678 CSNWEHWVGITYOP-UHFFFAOYSA-N 364.788 4.160 30 40 FIEB C=CCOc1c(Cl)cc([C@@H]2NC(=O)c3ccccc3O2)cc1OCC 5001216 KSQAEGRHAFKKEG-LJQANCHMSA-N 359.809 4.125 30 40 FIEB C=CCNC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc3c(c2)OCO3)n1 5789329 TYJNELBRDCCDLS-UHFFFAOYSA-N 371.396 4.028 30 40 FIEB biogenic COc1ccccc1NC(=O)c1ccc(NC(=O)c2cccc(C#N)c2)cc1 6286207 BHZJTMZJDPAUFW-UHFFFAOYSA-N 371.396 4.071 30 40 FIEB C=CCn1c(Cc2ccc(OC)cc2)nnc1SCc1ccc(F)cc1 6441536 LEDJSQYMTJCQGG-UHFFFAOYSA-N 369.465 4.495 30 40 FIEB C=CCN(Cc1cccs1)C(=O)c1cccc(Nc2ncccn2)c1 12553675 TXTFXHGDHBLDKA-UHFFFAOYSA-N 350.447 4.110 30 40 FIEB C=CCOc1ccc(Br)cc1/C=C1\SC(=S)NC1=S 16711947 PVNHIGMFGKFTOL-XFFZJAGNSA-N 372.334 4.304 30 40 FIEB Cc1cc(C)c2c(c1)/C(=N/O)C(=O)N2CCOc1cccc2ccccc12 46084941 GSWXFEWXMLYEMO-ATJXCDBQSA-N 360.413 4.061 30 40 FIEB N/C(=N/OCc1ccc(Cl)cc1)c1cccc(OCc2cccnc2)c1 60197497 RBELHPJGWMYXFQ-UHFFFAOYSA-N 367.836 4.151 30 40 FIEB C[C@]1(C#N)CCCN(C(=O)CCCOc2ccc(Cl)cc2Cl)C1 96010273 CDKFWZVSSGPDPG-QGZVFWFLSA-N 355.265 4.305 30 40 FIEB Cc1cc2c(cc1/C=N/Nc1ncccc1[N+](=O)[O-])[C@@H](C)CC(C)(C)N2C 208213215 WHRNOIIYBVOBPT-OFJBCHTGSA-N 367.453 4.466 30 40 FIEB N#Cc1c(OCc2cccc3ccccc23)nn(Cc2cccc(F)c2)c1N 225842331 ACGXHAONDKFVTO-UHFFFAOYSA-N 372.403 4.257 30 40 FIEB Cc1cccc(Cc2nn(Cc3cccc4ccccc34)c(N)c2C#N)c1 225848716 OBFSDNHADGOFHW-UHFFFAOYSA-N 352.441 4.438 30 40 FIEB CCCO[C@H](C)OCCC#CC[C@@H](C)OC(=O)CC(Cl)(Cl)Cl 1642761 FRMWUTYHVZATCK-OLZOCXBDSA-N 373.704 4.251 30 40 FIEB C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N/N=C/c1cccnc1 4476803 CMXWCVYTIXUNDY-OZJHUVQDSA-N 354.866 4.386 30 40 FIEB Cc1nc2n(n1)[C@H](c1ccc(F)cc1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 4736698 KQSYALISIAASKX-HRAATJIYSA-N 374.419 4.141 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(F)cc2)C[C@@H]1c1cccc(F)c1 4918485 HFUFUUQCFHQVCX-UYAOXDASSA-N 356.368 4.284 30 40 FIEB Cc1nc(SCC(=O)N(c2ccccc2)C(C)C)c(C#N)c(C)c1C 5172564 HCQBAUJZPUCOOZ-UHFFFAOYSA-N 353.491 4.412 30 40 FIEB CCOc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc(Cl)c1O 13072007 YBGRLEUHIIGGBC-FNORWQNLSA-N 362.809 4.358 30 40 FIEB C/C(=N/OCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccc(C)cc1 13633747 LCMHFTXIMNPZRO-UCQKPKSFSA-N 367.474 4.186 30 40 FIEB C=CCn1c(S[C@H](C#N)Cc2ccc(C)cc2)nnc1-c1ccco1 28503414 DSEQDHVTWQRSTP-INIZCTEOSA-N 350.447 4.260 30 40 FIEB O=C(O)COc1ccc(C(=O)/C=C\c2ccc(Cl)c(Cl)c2)cc1 66033553 DCUDBWMZJBOZAB-WAPJZHGLSA-N 351.185 4.353 30 40 FIEB C=C1[C@@H](NC)CC[C@]23C[C@@]24CC[C@]2(C)[C@@H](C(C)=O)[C@@H](O)C[C@@]2(C)[C@@H]4CC[C@H]13 118930064 KTASKRCJBXZGMH-ARSOTNLMSA-N 371.565 4.103 30 40 FIEB Cc1ccc(-c2nnc(S)n2N=Cc2cccc(Br)c2)cc1 253616968 IKFFOXMWTLHDCV-UHFFFAOYSA-N 373.279 4.187 30 40 FIEB Cc1c(Cl)c(C(=O)Nc2sc3c(c2C#N)[C@H](C)[C@@H](C)CC3)nn1C 331807576 WTYDOSSXXBNMFL-DTWKUNHWSA-N 362.886 4.253 30 40 FIEB Cc1ccccc1NC(=O)COc1ccc(/C=N\Nc2ccccc2)cc1 409007328 NVWFENOFADBBAU-HAHDFKILSA-N 359.429 4.459 30 40 FIEB COc1cc(/C=N\c2cccc(O)c2)ccc1OCc1ccc(C(=O)O)o1 409384399 AVJONXBPOMEGSQ-NHDPSOOVSA-N 367.357 4.022 30 40 FIEB Cc1cc(C)c(C#N)c(SCCSc2nc(C)cc(C)c2C#N)n1 2026118 XHPMDQQMGIMEJF-UHFFFAOYSA-N 354.504 4.338 30 40 FIEB C=CCNC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 3420608 CEAIFLKTGOSEPO-UHFFFAOYSA-N 350.443 4.403 30 40 FIEB COc1ccc2cc(/C=N/Nc3nc4ccccc4[nH]3)c(Cl)nc2c1 5458056 AOGGQLSOCKCYEX-KEBDBYFISA-N 351.797 4.219 30 40 FIEB CCCN1C(=O)/C(=C\c2ccc(C(=O)O)cc2)S/C1=N\c1ccccc1 8628413 FHCVEQJULLWZMS-NBEBQTRCSA-N 366.442 4.399 30 40 FIEB O=C1C[C@@H](/C=C/c2ccccc2)CC2=C1[C@@H](c1cccs1)n1ncnc1N2 9190056 GDLSCJKRWVENMI-JAYGQUQNSA-N 374.469 4.301 30 40 FIEB N#CCc1ccc(NC(=O)c2c[nH]c3ccc(Br)cc23)cc1 12973701 TWIKRVLGTNDGQS-UHFFFAOYSA-N 354.207 4.249 30 40 FIEB Cc1noc2nc(-c3cccs3)cc(C(=O)Nc3cccc(C#N)c3)c12 12995408 QURTUDZYQFREIU-UHFFFAOYSA-N 360.398 4.384 30 40 FIEB Cc1ccc(N/N=C2/C(=O)Nc3ccc(Br)cc32)cc1Cl 15353927 BVBOUXGWZOBCEZ-UHFFFAOYSA-N 364.630 4.179 30 40 FIEB Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N2[C@H](C)CCC[C@H]2C)n1 24284002 FANFRWQQXGPHHW-VXGBXAGGSA-N 371.428 4.162 30 40 FIEB CC(C)c1ccc(N/N=C2\C(=O)N(C3CSC3)c3ccc(F)cc32)cc1 223754239 SHMLLVBCTBWTTI-NMWGTECJSA-N 369.465 4.227 30 40 FIEB COc1cc([C@H]2C[C@@]2(C#N)c2nc3ccccc3[nH]2)ccc1OC(F)F 1457669 QQSBGNCJOHEWKG-BLVKFPJESA-N 355.344 4.122 30 40 FIEB N#Cc1ccc(CSc2nnc(-c3ccco3)n2Cc2ccco2)cc1 2375706 FSXRLYJPMLXUQK-UHFFFAOYSA-N 362.414 4.343 30 40 FIEB O=[N+]([O-])c1cccc(-c2ccc(/C=N/Nc3ncnc4ccccc34)o2)c1 4536967 CQDPTLHAOWWUCF-SSDVNMTOSA-N 359.345 4.244 30 40 FIEB COc1cc(Br)c(/C=C/C(=O)c2ccc(O)cc2)cc1OC 5128139 SCBVXMKSYFGQTA-VMPITWQZSA-N 363.207 4.068 30 40 FIEB Fc1ccc(-c2nnc(S)n2/N=C/c2ccc(C(F)(F)F)cc2)cc1 6084568 LTCBQXZXRCXAIF-ZVBGSRNCSA-N 366.343 4.274 30 40 FIEB CCCCCCCCOc1ccc(/C=N/N=C2\NC(=O)[C@@H](C)S2)cc1 97959796 MZRAHDHKAQEWML-NPQOUYBPSA-N 361.511 4.367 30 40 FIEB Cc1cccc(Cn2nc(Cc3cccc4ccccc34)c(C#N)c2N)c1 225845160 QEZCHXYSWDSPKB-UHFFFAOYSA-N 352.441 4.438 30 40 FIEB Oc1nc(N/N=C/c2cccc(OCc3ccccc3)c2)nc2ccccc12 408731369 KBVYJHMEPITWHO-OEAKJJBVSA-N 370.412 4.360 30 40 FIEB O=[N+]([O-])c1ccc(N/N=C/c2cn(Cc3ccccc3)c3ccccc23)nc1 408895894 MEHGXFXIAABPJF-FSJBWODESA-N 371.400 4.439 30 40 FIEB Cc1ccc(C)c(/N=C\c2ccc(O)c(I)c2)c1 408963894 PWOPPIAWALXPQT-MFOYZWKCSA-N 351.187 4.364 30 40 FIEB S=C(N/N=C/c1ccc(Cl)cc1Cl)N[C@H]1CCc2ccccc21 1709429 YCUYOCUDFQGWHL-UWSDUSPXSA-N 364.301 4.479 30 40 FIEB Cc1cc2nnc(Sc3ccc([N+](=O)[O-])cc3C#N)n2c2ccccc12 3568088 JGVXSTIEMRGZIW-UHFFFAOYSA-N 361.386 4.122 30 40 FIEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cccs1 4684728 UWMJGGGEHXLALQ-KRWDZBQOSA-N 351.431 4.116 30 40 FIEB CC(=O)c1cccc(/N=C/c2c(C)c(C#N)c3nc4ccccc4n3c2O)c1 5408926 DIZMKBDDVWSYJU-WYMPLXKRSA-N 368.396 4.326 30 40 FIEB N#Cc1ccccc1CSc1nnc(COc2ccc(Cl)cc2)o1 7005686 KPHMSZXFMSYEJW-UHFFFAOYSA-N 357.822 4.466 30 40 FIEB C=CCn1c(SCC(=O)c2cc(C)sc2C)nnc1-c1ccncc1 7825854 QIBNMOKYAZQQCK-UHFFFAOYSA-N 370.503 4.179 30 40 FIEB COc1ccc(/N=C2/NC(=O)/C(=C\c3cn(C)c4ccccc34)S2)cc1 8417805 AIXYJBLWRHCUEJ-WOJGMQOQSA-N 363.442 4.079 30 40 FIEB Cc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1ccccc1 9329541 RQPISYZBHZZSAV-HRAATJIYSA-N 356.429 4.002 30 40 FIEB C=CCNc1nn(-c2ccc(F)cc2)c2c1C(=O)C[C@@H](c1ccco1)C2 9936414 XKERUGXRURHPAZ-ZDUSSCGKSA-N 351.381 4.115 30 40 FIEB C=C(Br)Cn1c([C@H](C)NC(=O)c2ccco2)nc2ccccc21 15922084 KITBNGDMJPUFMC-LBPRGKRZSA-N 374.238 4.029 30 40 FIEB C#CCn1/c(=N/C(=O)c2cccc3ccccc23)sc2cc(OC)ccc21 100875904 LESFBROMTCIUJA-FCQUAONHSA-N 372.449 4.239 30 40 FIEB Cc1cccc(OCc2nc(SCc3ccccc3)nc(N)c2C#N)c1 223684908 YCMSRGDDDSWMHO-UHFFFAOYSA-N 362.458 4.110 30 40 FIEB Cc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])c(C)n1-c1ccccc1Cl 409068701 SNVWDVTZRMKIDE-SRZZPIQSSA-N 369.812 4.497 30 40 FIEB O=C1/C(=C/c2ccc(-c3ccc4c(c3)C(=O)NC4=O)o2)Sc2ccccc21 4507661 ZPOIQZMLGSXSQL-ZDLGFXPLSA-N 373.389 4.160 30 40 FIEB C=CCOC(=O)[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl 5377380 RAZHSAREIGPRIW-CHWSQXEVSA-N 354.233 4.244 30 40 FIEB O=C1C[C@@H](c2ccc(F)cc2F)C2=C(C[C@@H](c3cccs3)CC2=O)N1 6820426 FZHDZRCFOVCQPU-MFKMUULPSA-N 359.397 4.031 30 40 FIEB CCC(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccc(CC#N)cc1 7931428 NVQFKDOUNJJGLE-UHFFFAOYSA-N 356.809 4.016 30 40 FIEB N#CCCn1c(SCC(=O)c2c[nH]c3ccccc23)nc2ccccc21 8310573 PISPZUWCQHEGTQ-UHFFFAOYSA-N 360.442 4.406 30 40 FIEB aggregator C[C@H]1CC(C)(C)N2C(=O)/C(=N/c3ccc4c(c3)OCCO4)c3cccc1c32 12406298 QLRBMYZYQJWRHA-CKZKCJOCSA-N 362.429 4.211 30 40 FIEB CC(C)c1ccc2nc(SCC(=O)NC3CCCC3)c(C#N)cc2c1 35288881 TVRGEFWROQHPHB-UHFFFAOYSA-N 353.491 4.381 30 40 FIEB CC(C)(C)OC(=O)N1CCC(C#N)(c2ccc(Br)cc2)CC1 71186815 YZTMSLPZCMCBNE-UHFFFAOYSA-N 365.271 4.241 30 40 FIEB C=CCOc1ccc(CN(C)CC(=O)N[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)cc1 101302505 SLZSSXDYVCBTQO-KKLQWCBXSA-N 370.537 4.014 30 40 FIEB C=CCN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(OC)cc1 224859018 XNJORXXMTSQWCM-UHFFFAOYSA-N 351.855 4.038 30 40 FIEB Cc1ccc(COc2nn(Cc3ccc(Cl)cc3)c(N)c2C#N)c(C)c1 225840583 XALLTEPGSHFKSZ-UHFFFAOYSA-N 366.852 4.235 30 40 FIEB COC(=O)c1cc(/N=C/c2cccn2-c2ccc(O)cc2)ccc1Cl 409016208 DYVMOSMHPUFAET-CIAFOILYSA-N 354.793 4.374 30 40 FIEB N#Cc1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc2c1CCCC2 831002 OBEDQZOTSNVXBA-UHFFFAOYSA-N 361.810 4.312 30 40 FIEB O=C1C(SC(F)(F)C(F)F)=C(C(F)(F)F)O[C@@H]2[C@H]3C=C[C@H](C3)[C@@H]12 4079645 JXTBELKWIIAVQB-FZGKIIIMSA-N 362.266 4.141 30 40 FIEB Cc1nc2sc3c(c2c(=O)n1/N=C/c1c[nH]c2ccccc12)CCCC3 4118765 FYWDLHXKYVBMDV-SSDVNMTOSA-N 362.458 4.009 30 40 FIEB CC(C)C/C(=N\NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 4646707 GRYZCMXKHVIQOJ-HTXNQAPBSA-N 350.871 4.069 30 40 FIEB C=CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)c1cccc(F)c1 6760050 IXMDYFWTNAHRNH-UHFFFAOYSA-N 351.381 4.013 30 40 FIEB COc1ccc(/N=C2\N=C(O)/C(=C\c3ccc(O)c(OC)c3)S2)cc1 8969514 NKPNQUGCYMLOHH-MHWRWJLKSA-N 356.403 4.141 30 40 FIEB CN(CC(=O)NC1(C#N)CCCCCC1)Cc1cccc(Cl)c1Cl 32906711 UXMISZQCHYFTIV-UHFFFAOYSA-N 368.308 4.158 30 40 FIEB Cc1ccc(/N=C/c2cc(Br)c(N3CCOCC3)o2)cc1C 59249599 VZPOTKRGRPCLCH-YBFXNURJSA-N 363.255 4.246 30 40 FIEB CC1=Nc2c(c(=O)[nH]n2C2CCCCC2)[C@H](c2ccc(C#N)cc2)S1 85412094 MEHNHDMSUZTOTC-KRWDZBQOSA-N 352.463 4.439 30 40 FIEB COc1ccccc1/C=C1\SC(=Nc2cc(Cl)ccc2OC)NC1=O 408859211 QWXIHSXXGYDSJJ-SXGWCWSVSA-N 374.849 4.249 30 40 FIEB COc1ccc(N/N=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)cc1 4381084 JOWAVVANUNPDBD-XQNSMLJCSA-N 352.394 4.298 30 40 FIEB Cc1cc(N/N=C/c2cc(Br)ccc2O)nc2ccccc12 4677976 XWEYJHXJCPJLIR-VXLYETTFSA-N 356.223 4.457 30 40 FIEB C=CCn1c(S[C@H](C)C#N)nc2sc(-c3ccccc3)cc2c1=O 5212708 WZFIHOFUNKXTNB-GFCCVEGCSA-N 353.472 4.315 30 40 FIEB C=CCSc1nnc(NC(=O)Cc2coc3c(C)c(C)ccc23)s1 6809925 WYKSDBSYKCCXRK-UHFFFAOYSA-N 359.476 4.360 30 40 FIEB N#Cc1cc2c(nc1SCc1cc3c(cc1Cl)OCO3)CCCC2=O 6925576 CSKKQJWGDWRUHA-UHFFFAOYSA-N 372.833 4.147 30 40 FIEB C=CCN1C(=O)c2ccccc2N[C@@H]1c1cc(C)n(-c2nccs2)c1C 9368175 BPULINVRXNNXDW-SFHVURJKSA-N 364.474 4.303 30 40 FIEB CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccccc1O 19832597 WQVFCAVYWQJFRA-UHFFFAOYSA-N 365.473 4.365 30 40 FIEB CCCOc1ccc(/C=N\OCC(=O)Nc2ccc(C)cc2)cc1OCC 33732423 LDFWBUGDFLGCEW-HMAPJEAMSA-N 370.449 4.172 30 40 FIEB O=C(/C=C\c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)c1ccccc1 34896210 RBWNUZMBAIWQOO-CLFYSBASSA-N 363.398 4.432 30 40 FIEB C=CCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccccc1Cl 44905146 JLZKRVZDZIBQBP-KRWDZBQOSA-N 372.852 4.052 30 40 FIEB C#C[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118915137 GVBHYHFYTCVSPY-HMBYOLGQSA-N 358.522 4.325 30 40 FIEB C=CCN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 224867072 LHMIHFSZHUXSNH-UHFFFAOYSA-N 372.273 4.383 30 40 FIEB Cc1cc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)ccc1F 409090016 OCCOEZKQMPZACH-REZTVBANSA-N 353.147 4.261 30 40 FIEB Cc1cc(/C=N\c2ccc(N(C)C)cc2)c(C)n1NC(=O)c1ccccc1 409213355 SVSJKJQFGDTHES-HAHDFKILSA-N 360.461 4.305 30 40 FIEB O=[N+]([O-])c1ccccc1OCC(F)(F)C(F)(F)C(F)(F)C(F)F 1565673178 RITXHHQIDLVMQP-UHFFFAOYSA-N 353.165 4.145 30 40 FIEB N#Cc1c(Cl)nc(-c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c1C(F)(F)F 2581870 HCXMMQZOZMCGRM-UHFFFAOYSA-N 372.646 4.109 30 40 FIEB O=[N+]([O-])c1ccc(-c2ccc(/C=N/NC(=S)Nc3ccccc3)o2)cc1 3055452 YAKOCMHCXQJHHP-XDHOZWIPSA-N 366.402 4.175 30 40 FIEB C=CCn1c(SCc2ccc(F)cc2Cl)nnc1-c1cnccn1 3364767 IHMNPXKFMDDCPH-UHFFFAOYSA-N 361.833 4.006 30 40 FIEB N#C/N=C(\N)CSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N 4719094 HPZFBGIZBBLVPO-UHFFFAOYSA-N 369.453 4.218 30 40 FIEB CNc1ccc([C@H](c2ccc(N(C)C)cc2)C2C=CC(=[N+](C)C)C=C2)cc1 5141001 NISFARXTRMKWGF-DEOSSOPVSA-N 360.525 4.382 30 40 FIEB COc1cccc(/C=C2\S/C(=N/c3ccc(C)cc3)N(C)C2=O)c1OC 12601509 LQWIZDSFOOOBSE-WIQPNEMMSA-N 368.458 4.246 30 40 FIEB CC(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(Cl)cc1Cl 1097840 HVVHRIBZGUYCON-OAHLLOKOSA-N 366.200 4.071 30 40 FIEB COC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 2439188 HRQNBPVVFWZSTC-ODLFYWEKSA-N 366.413 4.152 30 40 FIEB biogenic COc1cc(OC)c([N+](=O)[O-])cc1/C=N/c1sc2c(c1C#N)CCCC2 6380445 GQSDFCSIEZIMIS-KEBDBYFISA-N 371.418 4.175 30 40 FIEB C=CCOc1ccc(/C=C2\S/C(=N\c3ccccc3OC)NC2=O)cc1 7276519 UOKWAEQXPRGTHN-AQTBWJFISA-N 366.442 4.152 30 40 FIEB N#Cc1c(NC(=O)c2ccc(N3CCCC3)cc2)sc2c1CCCC2 7383784 KPMJYODTONWICN-UHFFFAOYSA-N 351.475 4.351 30 40 FIEB COc1ccc(-c2csc(NC(=O)c3ccc(C#N)cc3F)n2)cc1 9141291 UEZCGXXZHCYJMK-UHFFFAOYSA-N 353.378 4.082 30 40 FIEB Cc1ccc(-c2c[n+](CC(=O)c3ccc(F)cc3)c3n2CCCCC3)cc1 27526019 PVLAXAGSCWCWGN-UHFFFAOYSA-N 363.456 4.499 30 40 FIEB C[C@H](c1ccc(Cl)cc1Cl)N(C)CC(=O)NC1(C#N)CCCCC1 48343299 ZICZGHGGIYCPPA-CYBMUJFWSA-N 368.308 4.329 30 40 FIEB CCCCCCOC(=O)C[N+](C)(C)CCO[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C 100524892 AJKXZFPSOIGUAC-JQVVWYNYSA-N 368.582 4.418 30 40 FIEB CC1(C)[C@@H]2CC[C@]1(C)[C@H](OCC[N+](C)(C)CC(=O)OCc1ccccc1)C2 100584000 WWSFBZLUMRJQDA-TXTKFYIRSA-N 374.545 4.038 30 40 FIEB CCCCCCCCCNC(=O)C(=O)Nc1ccc(Br)cc1 137129990 RLFHQDYSICTXQS-UHFFFAOYSA-N 369.303 4.254 30 40 FIEB O=C1NC(=Nc2ccc([N+](=O)[O-])cc2Cl)S/C1=C/c1ccccc1 408752824 KKWHTDWDOALBAM-RIYZIHGNSA-N 359.794 4.140 30 40 FIEB O/N=C/c1ccccc1OC[C@@H](O)Cn1c2ccccc2c2ccccc21 860661 MEGBUZOFMDCCMS-WQGFDPGOSA-N 360.413 4.043 30 40 FIEB CC1(C)SC(=S)N(Cc2ccccc2)[C@H]1/[N+]([O-])=C/c1cccs1 1436799 MFRGRJRPNSINOA-CCRNYGKSSA-N 362.545 4.316 30 40 FIEB C[C@@H]1CN(C)[C@H](C)C[C@]1(CCN(CC#N)Cc1ccco1)c1ccccc1 4474786 KQLMCHVACXZLRA-VIZSFHNOSA-N 365.521 4.293 30 40 FIEB Cc1ccc(N/N=C(/C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 4996118 XXLNGYUAFNYCRT-JWGURIENSA-N 363.402 4.367 30 40 FIEB Cc1nc(-c2ccc(N[C@H](C)C(=O)Nc3ccc(C#N)cc3)cc2)cs1 12564006 DGTHXDYDZRQMFU-CYBMUJFWSA-N 362.458 4.429 30 40 FIEB Cc1csc(N(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)c2ccccc2)n1 14085424 ZBQLKODCQZNICY-OAHLLOKOSA-N 363.442 4.455 30 40 FIEB CC1(c2ccccc2)CC(/C(=N\NC(N)=S)c2cc3ccccc3o2)C1 15230056 QUKZATZTFLZSKE-FCDQGJHFSA-N 363.486 4.338 30 40 FIEB C=CCOc1c(Cl)cc(CN[C@@H](C)[C@H](O)c2ccccc2)cc1OC 22076674 KOJAPZPTOAAVKW-LIRRHRJNSA-N 361.869 4.125 30 40 FIEB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N(C)Cc1cccc(C#N)c1 25103970 SZFDOZWHIRWWQX-UHFFFAOYSA-N 369.490 4.185 30 40 FIEB COc1ccc(C)cc1NC(=O)CO/N=C(\C)c1oc2ccccc2c1C 32927141 OMBMRLRCMVZDSM-HZHRSRAPSA-N 366.417 4.438 30 40 FIEB C=CCOc1ccc(NC(=S)NCCCc2ccc(OC)cc2)cc1 225557566 CCDAEUMWKWLOON-UHFFFAOYSA-N 356.491 4.179 30 40 FIEB CC(=O)Oc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)c(C#N)c1 225682316 QWTOSCDMZIRWST-UHFFFAOYSA-N 366.392 4.073 30 40 FIEB CCOc1cc(/C=N/Nc2nc3ccccc3n2CC)cc(Cl)c1O 408692942 YXXFWIIYKIMWDQ-RGVLZGJSSA-N 358.829 4.260 30 40 FIEB C/N=C1/S/C(=C/c2cc(C)n(-c3cccc(C)c3C)c2C)C(=O)N1C 408928925 GCVHCVIROALYKV-DRJFBDSASA-N 353.491 4.243 30 40 FIEB COc1cccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c1OC 4479349 BHSWSGANBCMSGT-NSHDSACASA-N 356.447 4.014 30 40 FIEB COc1ccc2c(c1)-c1nc(/N=C/c3ccc(O)c(OC)c3)sc1CC2 13126057 UJQZNKYKJTWKJX-SRZZPIQSSA-N 366.442 4.382 30 40 FIEB C=CCOc1ccc(C(=O)N[C@@H](C)c2cc3ccccc3o2)cc1OC 14245512 RRRBAIXMFSXXEX-AWEZNQCLSA-N 351.402 4.497 30 40 FIEB C=CCN(C(=O)c1cc(O)nc2ccccc12)c1nc2c(s1)CCCC2 15969069 SHNAUHWSWQOPDM-UHFFFAOYSA-N 365.458 4.109 30 40 FIEB CCO[C@H]1Oc2ccc(C)cc2C(=O)/C1=C/Nc1ccc(Cl)cc1O 16687954 BMAYQGMWOGTFPN-CPPNXCSESA-N 359.809 4.288 30 40 FIEB Cc1cc([C@H](C#N)C(=O)[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)nc(C)n1 71810470 QFVRHBQQIKYVJY-ILXRZTDVSA-N 359.351 4.092 30 40 FIEB C=CCc1ccc(O[C@H](C)c2nc3ccc([N+](=O)[O-])cc3[nH]2)c(OC)c1 76555542 VSOKLBFMYGYFIN-GFCCVEGCSA-N 353.378 4.348 30 40 FIEB C[C@@H]1C[C@@H](CNCc2cccc(OCc3cccc(C#N)c3)c2)CCO1 95457725 UZUQXLKXWPNQIR-XLIONFOSSA-N 350.462 4.042 30 40 FIEB C[C@H](/N=C(/O)CN1CCC(n2ccnc2)CC1)c1ccc2c(c1)CCCC2 329234145 MNSVPBYKMGJDIA-KRWDZBQOSA-N 366.509 4.117 30 40 FIEB C[C@@H]1CCN(c2cc(C(=O)Nc3cc(C(C)(C)C)sc3C#N)ccn2)C1 331794853 VXXUJZCFRLRGEU-CYBMUJFWSA-N 368.506 4.411 30 40 FIEB CCOc1ccc(/N=C/c2cc(Br)cc(OC)c2O)cc1 2751362 QWRUUDXHMJYLTH-VCHYOVAHSA-N 350.212 4.313 30 40 FIEB N#Cc1ccccc1NC(=O)COC(=O)c1sc2ccccc2c1Cl 3235788 ACVXOGYAFIYLBJ-UHFFFAOYSA-N 370.817 4.222 30 40 FIEB N#C[C@H]1CC(C(=O)Nc2ccc(Cl)cc2)=NN1c1ccc(Cl)cc1 5569800 VXIWLXBWAUUOCH-OAHLLOKOSA-N 359.216 4.090 30 40 FIEB C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccc(O)cc3)c12 9672434 HWURISSAUCNHLT-JLHYYAGUSA-N 357.413 4.385 30 40 FIEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N(C)Cc1ccccc1Cl 12804500 DFZRLXHOMRCWBV-UHFFFAOYSA-N 353.809 4.176 30 40 FIEB CC1=CC(C)(C)N2C(=O)/C(=N/c3ccc4c(c3)OCO4)c3cc(C)cc1c32 13811724 QKMNLFMDVFUPFI-FCDQGJHFSA-N 360.413 4.387 30 40 FIEB N#Cc1ccccc1COc1ccc(/C=N/Nc2nc3ccccc3[nH]2)cc1 14134277 QJNLCLDNAATCCG-ZVHZXABRSA-N 367.412 4.460 30 40 FIEB CSC1=N[C@@H](c2ccc([N+](=O)[O-])o2)C(C(C)=O)=C(C)N1c1ccccc1 33735053 BXSZOZJPFWKSGG-KRWDZBQOSA-N 371.418 4.331 30 40 FIEB C=CCN1C(=O)N/C(=C/c2c(C)n(Cc3ccccc3)c3ccccc23)C1=O 39556661 UJFCIXMERCNQMN-XSFVSMFZSA-N 371.440 4.077 30 40 FIEB O=C1CN(Cc2ccccc2)[C@H](c2ccccc2)N1/N=C/c1ccccc1 59435486 MHQZHAPAEPAZNN-JECJHWOISA-N 355.441 4.064 30 40 FIEB COc1ccc([C@H]2C(C(=O)OC(C)(C)C)=C(C)NC3=C2C(=O)CCC3)cc1 66088814 SEDORBIXNKZXBD-IBGZPJMESA-N 369.461 4.005 30 40 FIEB CN1/C(=C\C=C2/C(=O)c3ccccc3O[C@H]2N(C)C)Sc2ccccc21 102579710 STBSXUPLISFXRP-DNKSLGSVSA-N 364.470 4.159 30 40 FIEB O=[N+]([O-])c1cccc(CO/N=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 408592328 MEMNGFPHMOECHJ-ODLFYWEKSA-N 367.317 4.314 30 40 FIEB CCCOc1cccc(C(=O)NC(=S)Nc2sc(C)c(C)c2C#N)c1 408627834 OFGMETPSNSUNRT-UHFFFAOYSA-N 373.503 4.152 30 40 FIEB COc1ccc2c(c1)OCc1sc(/N=C/c3cccc(OC)c3O)nc1-2 408723097 QGWAVADKGWKJQE-AWQFTUOYSA-N 368.414 4.176 30 40 FIEB CCOc1ccc(/C=C2/S/C(=N/c3ccc(C)cc3)NC2=O)cc1OC 1268835 DCUJHCNIYYDPDZ-LDADJPATSA-N 368.458 4.294 30 40 FIEB CCC(=O)Nc1c(C#N)c2nc3ccccc3nc2n1[C@H](C)c1ccccc1 2277877 JCCSEKPIOMAARE-CQSZACIVSA-N 369.428 4.414 30 40 FIEB CC(C)(C)c1ccc(C(=O)O[C@H](C#N)Cc2ccc([N+](=O)[O-])cc2)cc1 3244867 IVSKPQNMSRPUIR-SFHVURJKSA-N 352.390 4.184 30 40 FIEB CN(CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1c(F)cccc1Cl 3586836 DQQAWYNICDSEFF-UHFFFAOYSA-N 366.223 4.075 30 40 FIEB Cc1c(NC(=O)c2ccc(C#N)cc2F)cccc1-c1nc2ncccc2o1 5612594 YCVBJAHKZKKHTE-UHFFFAOYSA-N 372.359 4.461 30 40 FIEB CCCCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)c2ccccc2)cc1 5866850 OERUSXVLIJADJO-FQEVSTJZSA-N 364.445 4.376 30 40 FIEB C=CCN(C(=O)c1cncn1-c1ccccc1)c1nc2c(s1)CCCC2 6552310 QMWMWTAOQFAGEA-UHFFFAOYSA-N 364.474 4.040 30 40 FIEB O=C(C1=C(c2ccccc2)NC(=S)N[C@@H]1c1ccco1)c1ccccc1 8381066 XLLWZRRFLQCXTJ-LJQANCHMSA-N 360.438 4.093 30 40 FIEB N#Cc1nc(/C=C/c2ccc(F)cc2)oc1N1CCN(c2ccccc2)CC1 8614891 BUZDCBLTNKMOJO-DHZHZOJOSA-N 374.419 4.182 30 40 FIEB CCc1noc(C)c1C(=O)N1C[C@H](C)S/C1=N\c1ccc(Cl)cc1 102883887 SNBJSHHYSYTFAL-YTDXYSGGSA-N 363.870 4.464 30 40 FIEB Cc1cc2c(cc1/C=N/Nc1ncccc1[N+](=O)[O-])[C@H](C)CC(C)(C)N2C 208213173 WHRNOIIYBVOBPT-LVCXCXRVSA-N 367.453 4.466 30 40 FIEB C=CCN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)c(C)c1 224635550 NROSDJIHZZAWKO-UHFFFAOYSA-N 351.855 4.038 30 40 FIEB COC(=O)c1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)cc1 408906993 FULGLGUTQSELNN-MSYUKONTSA-N 366.442 4.015 30 40 FIEB CCN(CC)c1ccc(/N=C/c2ccc(N3CCOCC3)cc2OC)cc1 409244420 CKXCFHBNRRRJAF-HAVVHWLPSA-N 367.493 4.129 30 40 FIEB N#Cc1ccc(-c2ccccc2)n(Cc2cccc(C(F)(F)F)c2)c1=O 1402920 WITWYIVSSLUIGR-UHFFFAOYSA-N 354.331 4.454 30 40 FIEB O=[N+]([O-])c1cc(Br)c(O)c(/C=N/c2cc(Cl)ccc2O)c1 3153252 LAXWNKLEDYITSL-OMCISZLKSA-N 371.574 4.173 30 40 FIEB C[C@H]1CCc2c(sc(NC(=O)c3cc(=O)c4ccccc4o3)c2C#N)C1 3892321 GQZLXRPKQVBCKE-NSHDSACASA-N 364.426 4.103 30 40 FIEB C=CCN1C[C@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1=O 4385990 CLYZVWIMLCDGHE-MRXNPFEDSA-N 365.864 4.240 30 40 FIEB C=CCOc1ccccc1/C=C1/S/C(=N\c2ccccc2)N(C)C1=O 4660331 JKTWZJZVVQNQRD-HOOMGSECSA-N 350.443 4.485 30 40 FIEB C/C(=N\Nc1cc(C(=O)O)ccc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1 4948194 SUGRCAJGGLLAAO-QGMBQPNBSA-N 368.176 4.436 30 40 FIEB CC1(C)CC(=O)C2=C(C1)NC(=O)N[C@@H]2c1cccc(Oc2ccccc2)c1 6617206 FAUBTTDYZOADGM-HXUWFJFHSA-N 362.429 4.476 30 40 FIEB C=C(C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103547941 AMFSMDRXAVOFCS-UHFFFAOYSA-N 368.142 4.209 30 40 FIEB N#CCCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103591904 FQLJHWUFZMXZLW-UHFFFAOYSA-N 353.131 4.020 30 40 FIEB COc1ccc(N=C2NC(=O)/C(=C/c3ccccc3OC(C)C)S2)cc1 408600528 CMTCSJQFTKEKLB-PDGQHHTCSA-N 368.458 4.374 30 40 FIEB C=CCN1C(=O)S/C(=C/c2ccccc2OCc2ccccc2)C1=O 409073121 OZWFEIGHAZEJHG-QGOAFFKASA-N 351.427 4.488 30 40 FIEB C=CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1cccc2ccccc12 6692254 YLMWVGVOOOIKKD-OAQYLSRUSA-N 374.440 4.302 30 40 FIEB Cc1cc(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)nc(C(C)C)n1 16454234 ZUJIPVIEWSRQMA-INIZCTEOSA-N 368.506 4.336 30 40 FIEB CCOC(=O)c1sc2nc(C)nc(Oc3cccc(C#N)c3)c2c1C 57366465 YFZYUSCFEABWJV-UHFFFAOYSA-N 353.403 4.149 30 40 FIEB CSc1n[nH]c(/N=C(\O)c2sc(-c3cccc(Cl)c3)nc2C)n1 62581672 ZEMGOFWTFLAECA-UHFFFAOYSA-N 365.871 4.248 30 40 FIEB C=CCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)C(C)C 13725518 RGZPYHQUWLKSJT-UHFFFAOYSA-N 374.506 4.027 30 40 FIEB COc1cc2c(cc1OC)[C@H](c1ccccc1F)C1=C(CCCC1=O)N2 18197482 HIRCGGYONFGJFJ-FQEVSTJZSA-N 353.393 4.407 30 40 FIEB O=C(COc1ccc(/C=N\c2ccccc2)cc1)NCCc1ccccc1 408811422 QYTPZXLRHJXXPT-UQQQWYQISA-N 358.441 4.175 30 40 FIEB C=CCc1cc(C(=O)Nc2nnc(-c3ccccc3)s2)ccc1OC 223230535 RCKXWMYUKYZFLV-UHFFFAOYSA-N 351.431 4.195 30 40 FIEB C=CCOc1ccc(/C=C2\N=C(c3ccccc3Cl)OC2=O)cc1OC 2081061 MJZYQQPXAVSNRM-WJDWOHSUSA-N 369.804 4.258 30 40 FIEB C=CCn1c(SCC(=O)c2ccccc2)nc2sc(C)c(C)c2c1=O 784809 SYGBGEDFEXEHKV-UHFFFAOYSA-N 370.499 4.236 30 40 FIEB O=C(C1SCCCS1)N(O)c1ccccc1OCc1ccccc1 1725309 FTIWTQIPJMNRAJ-UHFFFAOYSA-N 361.488 4.184 30 40 FIEB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2)C2=C(CCCC2=O)N1 3098479 VMGJMLNYXKVLHT-JOCHJYFZSA-N 373.452 4.398 30 40 FIEB Cc1cccc(C)c1NC(=S)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 3342349 YHCBKCQPNMWQAI-GIJQJNRQSA-N 362.842 4.186 30 40 FIEB CCCOc1ccc(/C=N/Nc2cc(-c3ccccc3)nc(C)n2)c(O)c1 4595558 BMFLGGNBXMPMPC-HYARGMPZSA-N 362.433 4.392 30 40 FIEB Cc1ccc2cc(C#N)c(SCC(=O)Nc3ccccc3F)nc2c1 4849002 UXASWTXUTCOIFF-UHFFFAOYSA-N 351.406 4.285 30 40 FIEB CC(C)c1ccc(C[C@H]2S/C(=N\N=C\c3cccs3)NC2=O)cc1 5836427 NOBGYHAJUOCJJT-YDDPGSGASA-N 357.504 4.036 30 40 FIEB Cc1ccc(N/N=C/c2c(C)c(C#N)c3nc4ccccc4n3c2O)cc1 8078435 HUHGTPZCUMIPOU-FSJBWODESA-N 355.401 4.128 30 40 FIEB Cc1ccc([C@@H]2C3=C(CCCC3=O)Nc3c2c(C)nn3-c2ccccn2)o1 13121783 KOXHYVZCANEELI-FQEVSTJZSA-N 360.417 4.042 30 40 FIEB O=c1cc(/C(O)=N/c2nc(-c3cccs3)cs2)c2ccccc2[nH]1 16050632 ZBOCMVUJADNEII-UHFFFAOYSA-N 353.428 4.349 30 40 FIEB CCOC(=O)/C(=N/Nc1cccc(C(F)(F)F)c1)N1[C@H](C)CCC[C@H]1C 34863144 WSFXGMIVBPXEMZ-SPGKDHHISA-N 371.403 4.257 30 40 FIEB N#CC1(NC(=O)CSc2ncc(-c3ccc(F)cc3)o2)CCCCCC1 42709241 GNBKBCICKFNZQZ-UHFFFAOYSA-N 373.453 4.306 30 40 FIEB CC(C)(C)c1nc(CO/N=C(\N)c2cc(Br)cs2)cs1 48707010 SLNSSOMRPKEPLR-UHFFFAOYSA-N 374.329 4.102 30 40 FIEB C=CCN1C(=O)/C(=C\c2ccccc2F)S/C1=N/c1nnc(CC)s1 100161755 AGYFFGPCJRSDII-OYRJGRIPSA-N 374.466 4.030 30 40 FIEB CC1=NOC(=O)/C1=C/c1ccccc1OCc1ccc(Br)cc1 100815523 YJNGLCIIDZCGBN-MHWRWJLKSA-N 372.218 4.344 30 40 FIEB CCc1cccc2c1NC(=O)/C2=N\Nc1ccc(Br)c(C)c1 223732221 UXJIFKZYIVOWRO-UHFFFAOYSA-N 358.239 4.088 30 40 FIEB N#Cc1cc(N)c(Cc2ccc(Cl)cc2)n1CCOc1ccc(F)cc1 225863242 OSTKYURGRKJQGZ-UHFFFAOYSA-N 369.827 4.404 30 40 FIEB Cc1ccc(COc2ccc(/C=N/Nc3ncccc3[N+](=O)[O-])cc2)cc1 409107429 PPCLWXKBHFKXMH-LPYMAVHISA-N 362.389 4.323 30 40 FIEB N#Cc1c(F)cccc1C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575242899 AHFLBLCWTBJIBR-UHFFFAOYSA-N 367.142 4.348 30 40 FIEB C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)N1CCN(c3cccc(Cl)c3)CC1)C2 1448414 FPZQRRGQILMESK-IIBYNOLFSA-N 358.913 4.371 30 40 FIEB O=C(c1ccc(Cl)cc1)[C@H]1O[C@@]12C(=O)Nc1c(Cl)cc(Cl)cc12 1624435 PDLFTPBJXAKBQW-GDBMZVCRSA-N 368.603 4.076 30 40 FIEB CCOP(=O)(OCC)O/N=C(\C)c1ccc(Br)cc1 4963926 MGXNKUZWBRRZNP-GXDHUFHOSA-N 350.149 4.371 30 40 FIEB Cc1nc2n(n1)[C@@H](c1ccccc1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 5347530 ORZJITOAMQSLNL-UWJYYQICSA-N 356.429 4.002 30 40 FIEB COCc1cc(C)cc(Sc2cc(C)cc(COC)c2C#N)c1C#N 5538629 LAQACKDIQKYNPG-UHFFFAOYSA-N 352.459 4.491 30 40 FIEB Cc1nn(Cc2ccccc2)c(Cl)c1/C=N/Nc1ccc(C(=O)O)cc1 7890801 JNBNOLGVKQGWQO-SRZZPIQSSA-N 368.824 4.037 30 40 FIEB Cc1cccc(/N=C(\S)NC2CCN(Cc3ccccc3)CC2)c1C 8801747 HRTJENAJKTYKSK-UHFFFAOYSA-N 353.535 4.475 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@@H]1c1cccs1 9576763 GAGLPAKUZBANTI-APWZRJJASA-N 356.443 4.076 30 40 FIEB COc1cccc(/C=N/N=c2/[nH]c(-c3ccc(C)cc3)cs2)c1OC 11991719 YNOROFYKHOATMW-RGVLZGJSSA-N 353.447 4.004 30 40 FIEB N#Cc1ccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc1 12831812 BDKQTDZVMBOMGX-UHFFFAOYSA-N 351.793 4.438 30 40 FIEB C=CCOc1ccc(/C=C2\SC(=S)N(CC=C)C2=O)cc1OCC 16688994 YJICRXPOKHIXRS-VBKFSLOCSA-N 361.488 4.037 30 40 FIEB COc1ccccc1CN/N=C/c1ccc(OCc2ccc(C#N)cc2)cc1 20762858 YODFDQNIYJIFRU-MFKUBSTISA-N 371.440 4.270 30 40 FIEB N=C1S/C(=C\c2ccc(N3CCCCC3)o2)C(=O)[C@@H]1c1nccs1 33665044 UJZUJYRXXSSNIV-MAWDRXTKSA-N 359.476 4.144 30 40 FIEB Cc1cc(C)n(Cc2cccc(/C(N)=N/OCc3cccc(Cl)c3)c2)n1 58370120 ZNHJPLLTKIXVMC-UHFFFAOYSA-N 368.868 4.039 30 40 FIEB C=CCn1/c(=N/C(=O)c2ccc(C(C)=O)cc2)sc2cccc(C)c21 100909651 UQLWFBJQURVCCE-MRCUWXFGSA-N 350.443 4.141 30 40 FIEB Oc1c(Cl)cc(Cl)cc1/C=N\c1ccccc1N1CCOCC1 100933816 GQBCOFXZSHDYLG-JAIQZWGSSA-N 351.233 4.286 30 40 FIEB Cc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1ccncc1 409098726 OYMKXRSUOUWBJM-YSURURNPSA-N 359.355 4.349 30 40 FIEB CC(=O)/C(=N\Nc1cccc([N+](=O)[O-])c1)Sc1cccc2cccnc12 3009403 BFEJXNKLSOSSHD-DYTRJAOYSA-N 366.402 4.250 30 40 FIEB Cc1cc2cc(C#N)c(SCC(=O)N3CCc4ccccc43)nc2cc1C 34791477 ORZOEZYPIHCIJM-UHFFFAOYSA-N 373.481 4.405 30 40 FIEB CCCOc1ccc(/C=C/C(=O)c2ccc(N3CCOCC3)cc2)cc1 48229643 JMLQOKQCAOOVRH-LFYBBSHMSA-N 351.446 4.208 30 40 FIEB C=CCOc1cccc(NC(=S)NCCOc2ccccc2Cl)c1 225780626 RACLIBKTEBKJDO-UHFFFAOYSA-N 362.882 4.270 30 40 FIEB C=CCC1(CC=C)CCN1C(=O)c1ccc2[nH]c(-c3ccccn3)nc2c1 12147552 KUQHJEKICRFRFI-UHFFFAOYSA-N 358.445 4.362 30 40 FIEB Cc1cc(C)c2cc(C#N)c(NCCOC(=O)c3ccccc3C)nc2c1 19124359 KQPIFLSXABRUQY-UHFFFAOYSA-N 359.429 4.301 30 40 FIEB Cc1ccc([C@H](NCC(=O)Nc2ccccc2C#N)c2ccccc2)cc1C 25049063 DZTZODNLMOQJDJ-XMMPIXPASA-N 369.468 4.493 30 40 FIEB Cc1ccccc1/N=C1\NC(=O)/C(=C/c2ccc(N3CCCCC3)o2)S1 59138036 LUEMICALBBBRPE-LGMDPLHJSA-N 367.474 4.470 30 40 FIEB C=CCc1cc(/C=N/c2ccccc2CC)cc(OC)c1OCC(=O)O 59250451 XFNGNNPHCMXISC-LPYMAVHISA-N 353.418 4.200 30 40 FIEB CCn1ccc2cc(NC(=O)c3c(C)oc(-n4cccc4)c3C#N)ccc21 63445542 KVVAHXFAACYKFU-UHFFFAOYSA-N 358.401 4.477 30 40 FIEB CC1=CC(C)(C)N(C)c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cn3)cc21 208436490 PHTXNDHRNZWZMO-SRZZPIQSSA-N 351.410 4.068 30 40 FIEB C=CCOc1cccc(NC(=S)N[C@H](C)COc2ccccc2OC)c1 225787752 LXRWTALHQOYWQF-OAHLLOKOSA-N 372.490 4.014 30 40 FIEB CCc1nnc(S)n1/N=C/c1cc(C)n(-c2cccc(C)c2C)c1C 408869440 SCELNVUYVDRWJZ-RGVLZGJSSA-N 353.495 4.036 30 40 FIEB CCN1C2=C(C(=O)CCC2)C(c2cc(Cl)ccc2O)C2=C1CCCC2=O 409035603 JNFVWLIHQYTQQK-UHFFFAOYSA-N 371.864 4.479 30 40 FIEB COc1ccccc1N(CCC#N)C(=O)CSc1ccc(Cl)cc1 2623882 OHWGWBWEFHWMOQ-UHFFFAOYSA-N 360.866 4.388 30 40 FIEB N#Cc1c(NC(=O)c2ccc3c(c2)OCO3)sc2c1CCCCCC2 2757186 JCOPEFARXROIOC-UHFFFAOYSA-N 354.431 4.260 30 40 FIEB CC[C@@H]1S/C(=N/N=C/c2cccs2)N(Cc2ccc(OC)cc2)C1=O 4903385 QUHWNMZSBVUDQI-UEYPFEJESA-N 373.503 4.001 30 40 FIEB Cc1ccc(/C=N/N=C2/S[C@@H](C)C(=O)N2Cc2ccccc2)c(C)c1 4956005 VLONDOVIFPMYKE-NZEMBNLVSA-N 351.475 4.157 30 40 FIEB C=C(C)Cn1c([C@H]2CC(=O)N(c3ccccc3OC)C2)nc2ccccc21 5209899 QEJNAZOTBPCVSU-INIZCTEOSA-N 361.445 4.142 30 40 FIEB Cc1sc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)c(C#N)c1-c1ccccc1 6184260 MWRWKYCNJYRWIB-HUUCEWRRSA-N 368.458 4.425 30 40 FIEB Cc1ccc2c(c1C)N(Cc1ccc(OCCC(C)C)cc1)C(=O)/C2=N\O 46084673 QSAWIUJVMJBCLX-ATJXCDBQSA-N 366.461 4.453 30 40 FIEB C=CCOc1ccc2c(c1)CC=C1[C@@H]2CC[C@@]2(C)C(=N/O)/C(=N\O)C[C@@H]12 104053056 LHJLDYOKYNLKHZ-NFNMCYIRSA-N 352.434 4.298 30 40 FIEB C=CCn1c(SCC(=C)C)nc2sc3c(c2c1=O)CC(C)(C)OC3 751899 UMNVAGVTQZSORU-UHFFFAOYSA-N 362.520 4.164 30 40 FIEB CC(C)[C@@]12CCC(=O)C=C1CCC[C@H]2OC(=O)c1ccccc1C(=O)O 1569979 PCHQKPBVBNDDJB-NQIIRXRSSA-N 356.418 4.026 30 40 FIEB NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN1c1ccccc1 3176702 TXGMNGHYYZMUIJ-UHFFFAOYSA-N 367.861 4.180 30 40 FIEB N#Cc1ccccc1COc1c(Cl)cc(CO)cc1Br 4746522 CSXJUNKSGSQTOG-UHFFFAOYSA-N 352.615 4.045 30 40 FIEB CCc1ccc2nc(SCC(=O)N[C@@H]3CCCC[C@H]3C)c(C#N)cc2c1 4848951 SFKMIKMYQNLRPL-RDTXWAMCSA-N 367.518 4.456 30 40 FIEB COc1cc(C#N)ccc1OCc1cc(=O)oc2cc(C)c(Cl)cc12 5629726 RIYXQFRNXKANJC-UHFFFAOYSA-N 355.777 4.214 30 40 FIEB Cc1ccccc1-n1c(SCCC#N)nc2cc(Cl)ccc2c1=O 14248367 WUNJMIBCISDDJG-UHFFFAOYSA-N 355.850 4.353 30 40 FIEB Cc1cccc2c1N(CCCOc1ccc(C(C)(C)C)cc1)C(=O)/C2=N\O 39853998 GGXQNVMVSQXNOH-NMWGTECJSA-N 366.461 4.287 30 40 FIEB COc1ccc(Cl)cc1/C=C1\SC(=N)[C@@H](c2nccs2)C1=O 108155133 SOFXXEIBNKUFMQ-HGAWGFJMSA-N 350.852 4.223 30 40 FIEB O/C(=N/[C@H]1CC=C(c2ccc(F)cc2)CC1)N1CCC(c2cc[nH]n2)CC1 329276429 KHOOFYIGGCGTHG-IBGZPJMESA-N 368.456 4.278 30 40 FIEB CCOc1cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)ccc1OC 408534202 UCZQAJZZGXDERQ-PDGQHHTCSA-N 368.458 4.294 30 40 FIEB C[C@H]1CCc2c(sc(NC(=O)c3cc4ccccc4oc3=O)c2C#N)C1 1959773 DTCXPSAQXNEDBV-NSHDSACASA-N 364.426 4.103 30 40 FIEB COc1cc(OC)cc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c1 1965158 FYRSKQJHINYFFU-NSHDSACASA-N 356.447 4.014 30 40 FIEB COC(=O)/N=C(\N=C(/O)OC)Nc1ccccc1/N=N/c1ccccc1 4064318 XUSBCUOLAZZDRA-QURGRASLSA-N 355.354 4.197 30 40 FIEB CC(=O)n1cc(/C=N/N=C/c2cn(C(C)=O)c3ccccc23)c2ccccc21 4503155 AYEYLGJTLIZWBU-ASIDMNOUSA-N 370.412 4.369 30 40 FIEB C=CCn1c(S[C@H](C)C(=O)c2ccc(F)cc2)nc2ccccc2c1=O 8282465 ZDNDNEGADBFXCB-CYBMUJFWSA-N 368.433 4.085 30 40 FIEB CCOc1cc2c(cc1/C=C/C(=O)c1ccc(O)c(OC)c1)O[C@H](C)C2 8322795 RIACNAUNHXXMQG-KTRBRXNASA-N 354.402 4.019 30 40 FIEB C[C@H](Sc1ncccc1C#N)C(=O)Nc1cc(Cl)ccc1Cl 9295523 ATVDIZUGIKVZQW-VIFPVBQESA-N 352.246 4.379 30 40 FIEB CC/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccc(C(C)(C)C)cc1 17109889 QRKHTQZVNATGDU-XUTLUUPISA-N 358.507 4.385 30 40 FIEB C=CCN(Cc1cccs1)C(=O)c1[nH]c(C)c(C(=O)OC(C)C)c1C 23738893 KRPYNHSHKYXRJK-UHFFFAOYSA-N 360.479 4.087 30 40 FIEB COc1ccc(C)cc1CO/N=C/c1ccc(N2CCCC2)c([N+](=O)[O-])c1 32741496 SZZQPMMLGLCKQJ-FYJGNVAPSA-N 369.421 4.063 30 40 FIEB C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@](O)(C#CCl)CC[C@@]43C)[C@H]1CC[C@@H]2O 253592070 WEJOBCNWKXEZFL-LHYDXMHHSA-N 350.930 4.321 30 40 FIEB CCn1c(N/N=C/c2ccc(OC)c(Br)c2)nc2ccccc21 408692974 ZWNYGHCGUBHOQQ-YBFXNURJSA-N 373.254 4.273 30 40 FIEB O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C\c1cccnc1 1447287 YWYYTCAULQZRDX-GHXNOFRVSA-N 350.230 4.280 30 40 FIEB COc1cc([C@@H]2C[C@@]2(C#N)c2nc3ccccc3[nH]2)ccc1OC(F)F 1457670 QQSBGNCJOHEWKG-BUXKBTBVSA-N 355.344 4.122 30 40 FIEB CCC/C(=N\NC(N)=S)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 5501687 IHWBMWRTEOSSCG-FCDQGJHFSA-N 355.551 4.492 30 40 FIEB CN(CCC(=O)Nc1sccc1C#N)Cc1ccc(C(F)(F)F)cc1 8092417 IPOGMGPDKFGSIH-UHFFFAOYSA-N 367.396 4.099 30 40 FIEB Cc1nc(SCC(=O)Nc2nc3ccccc3s2)c(C#N)c(C)c1C 8744380 DDLVADKFPTZSBI-UHFFFAOYSA-N 368.487 4.219 30 40 FIEB aggregator C/N=c1\scc(-c2ccc(Br)cc2)n1/N=C/c1ccccc1 12602575 GXNYZAVTPQCKOZ-MXPDZRDSSA-N 372.291 4.392 30 40 FIEB C=CCOc1ccc(-c2nn3c(-c4ccc(OC)cc4)nnc3s2)cc1 13956915 VQIWQNHONNLNFW-UHFFFAOYSA-N 364.430 4.093 30 40 FIEB Cc1c(-c2ccccc2)oc2c(-c3nc(C#N)c(N(C)C)o3)cccc2c1=O 36366253 DLYXGRWPIMZGHY-UHFFFAOYSA-N 371.396 4.361 30 40 FIEB CCCOc1ccc(OCC(=O)N(CCC#N)c2ccc(C)cc2)cc1 57960836 SSPOIFBMEGHXLK-UHFFFAOYSA-N 352.434 4.110 30 40 FIEB CCS[C@H]1CC[C@@H](N(C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 72304990 GGGTXVAZGFXVAT-QUCCMNQESA-N 373.566 4.156 30 40 FIEB CCS(=O)(=O)c1sc(N)c(C#N)c1-c1ccc(-c2ccccc2)cc1 96532122 KSCZCGAQQMMVOB-UHFFFAOYSA-N 368.483 4.330 30 40 FIEB N#Cc1cccc(C(=O)N2CCS[C@H]2c2ccc(C(F)(F)F)cc2)c1 217630788 AIQRLRPNGIWMHE-KRWDZBQOSA-N 362.376 4.465 30 40 FIEB C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(C)c1 224635929 JZRHACNCDNUBAL-UHFFFAOYSA-N 351.855 4.038 30 40 FIEB CCOC(=O)c1cccc(/N=C\c2cccn2-c2cccc(C(=O)O)c2)c1 409094573 DYRISDOHDRCPQF-HMAPJEAMSA-N 362.385 4.103 30 40 FIEB O=C(NC(=O)c1c(F)cccc1F)ON=C/C(Cl)=C\c1ccccc1 575626852 CEKDMJXFFHAJQZ-JAHZLAQOSA-N 364.735 4.097 30 40 FIEB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C(=O)C[C@]4(C)C(C(C)=O)=CC[C@H]4[C@@H]3CC[C@@H]2C1 1690460 JAZBMNIJZWDVQJ-GWJWJYOQSA-N 372.505 4.265 30 40 FIEB C=CCN1C(=S)SC(C)(C)[C@H]1/[N+]([O-])=C/c1c(F)cccc1Cl 2254865 AEJDBUJPQNVZSP-JFPGXGMNSA-N 358.891 4.033 30 40 FIEB CCOc1ccc(C(=O)Nc2sc(C(=O)OC(C)C)c(C)c2C#N)cc1 2746767 AIOOUWQPSOLOEC-UHFFFAOYSA-N 372.446 4.144 30 40 FIEB COc1cccc2cc(-c3cc(=O)oc4cc(C)c(OCC#N)cc34)oc12 4586247 YNLFYXMNWQYECT-UHFFFAOYSA-N 361.353 4.426 30 40 FIEB biogenic C/C(=N/OC(=O)c1ccc(C)cc1)C(=O)c1ccc(Br)cc1 4790983 JBDVIJOZWWODDT-UNOMPAQXSA-N 360.207 4.173 30 40 FIEB O=C1C=C(O/C=C\C(C(F)(F)F)C(F)(F)F)c2ccccc2C1=O 4972298 KGFWBIDIZPBMFG-WAYWQWQTSA-N 350.214 4.064 30 40 FIEB O=C1C[C@H](c2ccc(F)cc2F)C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)N1 6820315 WKVWTEXFFVVCRM-MLGOLLRUSA-N 371.358 4.108 30 40 FIEB COc1ccc(CNc2nnc(SCc3ccccc3C#N)s2)cc1 14134724 AKXDLNVBGSXIPR-UHFFFAOYSA-N 368.487 4.323 30 40 FIEB C/C(=N/Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc2c(c1)OCO2 35107937 GSAYMNKYNQDHRS-UKWGHVSLSA-N 367.283 4.178 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(N(C)C)cc2)C[C@H]1c1cccs1 97104901 QDMBWRLRWCBGRO-PXNSSMCTSA-N 369.486 4.133 30 40 FIEB COC(=O)C1=C(C)N(c2ccccc2)/C(=C/c2cccc(Cl)c2)C1=O 408725582 MGPFVSHVAIPKFT-SFQUDFHCSA-N 353.805 4.217 30 40 FIEB CCOc1ccc2ccc(OCC)c(/C=C3\S/C(=N\C)N(C)C3=O)c2c1 408771935 LLPQBUWCCOUXHF-RTPYTOBHSA-N 370.474 4.169 30 40 FIEB CC(C)(C)c1ccc(-c2nnc(SCc3ccc(C#N)cc3)n2N)cc1 3528771 CCXGVRKJPDSLLJ-UHFFFAOYSA-N 363.490 4.120 30 40 FIEB N#Cc1ccc(CSc2nc(-c3ccccc3Br)n[nH]2)cc1 7252191 UTHCWNFQDHCZCC-UHFFFAOYSA-N 371.263 4.398 30 40 FIEB N#C[C@H]1Nc2ccccc2N1Cc1csc(-c2ccc([N+](=O)[O-])cc2)n1 20512684 NEQXVANFSKQGCG-KRWDZBQOSA-N 363.402 4.000 30 40 FIEB COc1ccc(-n2c(C)cc(/C=N/NCc3ccccc3OC)c2C)cc1 20762518 QAQRMABXBPPSKH-BUVRLJJBSA-N 363.461 4.235 30 40 FIEB CCCCCCOc1ccccc1/C=N\NS(=O)(=O)c1ccc(C)cc1 32109897 NZAHLQVQFZURJT-PGMHBOJBSA-N 374.506 4.267 30 40 FIEB O=S(=O)(/N=C(\O)C1(c2ccccc2)CCC1)c1ccc(Cl)s1 48461043 LWOBUWSWQNBTNL-UHFFFAOYSA-N 355.868 4.169 30 40 FIEB CCN(C(C)=O)c1nc(/C=C2/CCSc3ccccc3C2=O)cs1 96310738 CKILCKULTBTSEF-RAXLEYEMSA-N 358.488 4.278 30 40 FIEB COc1ccc(/N=C(/S)N(C[C@@H]2CC=CCC2)C[C@@H]2CCCO2)cc1 102846681 JRMNNAIPYUHFSF-APWZRJJASA-N 360.523 4.450 30 40 FIEB C=CCc1cc(C(=O)NCCOc2ccc(C)c(Cl)c2)ccc1OC 224149412 WIWGIHFAZXVTSK-UHFFFAOYSA-N 359.853 4.194 30 40 FIEB C=CCSc1ccccc1C(=O)N[C@H](C)c1cc(OC)ccc1OC 224663012 UTKKFJDAJZAMNW-CQSZACIVSA-N 357.475 4.473 30 40 FIEB C=CCNC(=O)C1(Cc2cccc(-c3ccccc3OC)c2)CCOCC1 257197863 LMTFLNRGRFPHKJ-UHFFFAOYSA-N 365.473 4.004 30 40 FIEB CCOc1ccc(/C=N/Nc2nc3ccccc3n2CC)c(OCC)c1 408692675 RZHRNFGDSZZDEM-KGENOOAVSA-N 352.438 4.300 30 40 FIEB CC(C)NC(=O)COc1ccc(/C=N\c2cccc(C(F)(F)F)c2)cc1 408801920 WZVLVJBKBKDHPL-KSEXSDGBSA-N 364.367 4.359 30 40 FIEB CCC[C@H]1S/C(=N\N=C\c2ccco2)N(Cc2ccc(F)cc2)C1=O 2343691 YCPKIVUMIJASHD-RZBVUNJESA-N 359.426 4.053 30 40 FIEB COc1cc([N+](=O)[O-])cc(/C=N/c2ccc(N3CCCCC3)cc2)c1O 3191609 KQZHNSMFCCTOOF-DEDYPNTBSA-N 355.394 4.050 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(C)cc2)C[C@H]1c1cccc(OC)c1 4920087 ZVVVKJSVHCCOLC-RBBKRZOGSA-N 364.441 4.323 30 40 FIEB CCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(OCC#N)cc3)S2)cc1 5794720 OKBORWSJRTYGBH-AQTBWJFISA-N 363.442 4.043 30 40 FIEB C=CCSc1nnc(NC(=O)c2cc3c(s2)CC[C@H](C)C3)s1 6602574 AZANBAIEEFRSTH-VIFPVBQESA-N 351.522 4.255 30 40 FIEB N#Cc1cccc(C(=O)OCc2ccc(C(=O)Nc3ccccc3)cc2)c1 7395492 MYEIIQGYGSKTJR-UHFFFAOYSA-N 356.381 4.168 30 40 FIEB CCC1=C(c2ccc(OC)cc2)[C@@](O)(c2ccc(OC)cc2)[C@@H](CC)C1=O 9028074 FHGFLKNXDCJWSQ-NZQKXSOJSA-N 366.457 4.364 30 40 FIEB Oc1cccc(/C=N\N2CCN(C3c4ccccc4-c4ccccc43)CC2)c1 12466863 CEZSIEYRNYQISC-UQQQWYQISA-N 369.468 4.114 30 40 FIEB CN(C)Cc1c(O)ccc2c1O/C(=C\c1c(Cl)cccc1Cl)C2=O 20533524 RDYSUKIAMIAUHK-PXNMLYILSA-N 364.228 4.377 30 40 FIEB C[C@@H](Sc1ncnc2ccsc12)C(=O)N(CCC#N)c1ccccc1 26956782 NTQSPQDZDORQRR-CYBMUJFWSA-N 368.487 4.119 30 40 FIEB N#CCc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1 38849849 YSNRGBIMYKMKRI-SFHVURJKSA-N 367.880 4.257 30 40 FIEB Cc1ccc(S(=O)(=O)Nc2ccccc2/C=N/Nc2ccccc2)cc1 67317221 DMWDLQDRMNIIAV-RCCKNPSSSA-N 365.458 4.242 30 40 FIEB C=CCOC(=O)c1cc([N+](=O)[O-])cc2nc(-c3cccc(Cl)c3)oc12 73641942 FUDFHGBXDJSQPC-UHFFFAOYSA-N 358.737 4.399 30 40 FIEB CC(C)(C)c1cc(NC(=O)CNc2ccccc2SCCC#N)on1 108352316 BJXZGMGYZNJGAV-UHFFFAOYSA-N 358.467 4.028 30 40 FIEB CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3[C@](C)(O)C[C@]12C 118929585 NVFLFMSIUUPFBG-WPFRTOPKSA-N 358.522 4.330 30 40 FIEB OC[C@]1(C#CC2CCCCC2)COc2ccccc2N1Cc1ccccc1 306145575 IWOPXDZBEWZXBX-XMMPIXPASA-N 361.485 4.400 30 40 FIEB Cc1n[nH]c(C)c1[C@H]1CCCCCN1/C(O)=N/[C@@H]1C[C@H]1c1ccccc1 330302896 OSWKVADYWNQVBQ-IPMKNSEASA-N 352.482 4.414 30 40 FIEB COc1ccc(C(=O)/C=C/c2ccc(I)cc2)cc1 408655679 LKFYEWNSRXKAPY-NYYWCZLTSA-N 364.182 4.196 30 40 FIEB COC(=O)c1cccc(/N=C/c2cccn2-c2ccc(C(=O)O)cc2)c1C 409240458 PUTWDBXJAJHLQK-LPYMAVHISA-N 362.385 4.021 30 40 FIEB CC[C@H](C)n1c(C)c(C=Nn2c(O)nc3ccccc3c2=O)c2ccccc21 409344849 HQDICBGGXXGXEV-AWEZNQCLSA-N 374.444 4.218 30 40 FIEB CN/C(=C/C=C1\C(=O)Oc2ccccc2C1=O)C(C)(C)c1ccccc1C 1554502452 ASOUHMFVAWVAGC-XDJAMHPTSA-N 361.441 4.104 30 40 FIEB C=CCn1c(SCc2nnc(-c3ccco3)o2)nnc1C1CCCCC1 4286458 HAXIGVJUAHUWJK-UHFFFAOYSA-N 371.466 4.447 30 40 FIEB CCN1C(=O)/C(=C\c2ccc(O)c(OC)c2)S/C1=N\c1ccc(C)cc1 8362956 BGHNJKYUKAPZGL-KDWIEBRMSA-N 368.458 4.333 30 40 FIEB NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1C1CCCCCCC1 9577235 JTFDKEFNNUTZFE-UHFFFAOYSA-N 367.518 4.435 30 40 FIEB Cc1csc(N(C(=O)[C@H](C)Oc2ccc(C#N)cc2)c2ccccc2)n1 14085425 ZBQLKODCQZNICY-HNNXBMFYSA-N 363.442 4.455 30 40 FIEB C=CCN(CC(=O)Nc1cccc(Br)c1)Cc1cccs1 19540403 VZNIVSRIDHWISN-UHFFFAOYSA-N 365.296 4.137 30 40 FIEB C=C(C)c1nc(C#N)c(N/N=C/c2ccc(OCCC)c(OCC)c2)o1 27562341 DSRBHMRKKRBQQY-CIAFOILYSA-N 354.410 4.213 30 40 FIEB CN(C)c1ccc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 101472816 GHAFRHAFMFAACJ-UHFFFAOYSA-N 367.211 4.404 30 40 FIEB CC(=O)[C@H]1[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C 118928610 WFZJPTGGAJQTCK-AESZOGSQSA-N 360.469 4.241 30 40 FIEB C#CCN1C(=O)S/C(=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3CC)C1=O 208307280 SOADKGONSOIFRM-IIMQCXAKSA-N 368.502 4.468 30 40 FIEB CCOc1ccccc1CCCNC(=S)Nc1ccc(CC#N)cc1 225395986 ZGGQMDYUJYCXOP-UHFFFAOYSA-N 353.491 4.071 30 40 FIEB N#CCc1ccc(NC(=S)NCCSCc2ccccc2F)cc1 225412281 SZMZGEYKCCGFRD-UHFFFAOYSA-N 359.495 4.112 30 40 FIEB N#Cc1ccc(NC(=O)COC(=O)c2ccc(-c3ccccc3)cc2)cc1 2662809 AIGCEJXEEWWSSB-UHFFFAOYSA-N 356.381 4.021 30 40 FIEB N#Cc1ccsc1NC(=O)CN(Cc1ccccc1)Cc1ccccc1 3443519 HRAFINQSZRRHGB-UHFFFAOYSA-N 361.470 4.261 30 40 FIEB C=CCN1C(=O)/C(=C/c2cn([C@H](C)CC)c3ccccc23)C(O)=NC1=S 4124046 JMTZEFVIHVQALI-KWWJGWKXSA-N 367.474 4.265 30 40 FIEB COc1ccc(/C=C/c2nc(C#N)c(N3C[C@@H](C)C[C@H](C)C3)o2)cc1OC 8535499 MJDZCUALLAUPBV-ODYMAQSMSA-N 367.449 4.216 30 40 FIEB CC(C)(C)OC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O 8991990 PGPIFRUZHKFBMK-ZDLGFXPLSA-N 370.376 4.162 30 40 FIEB CN1C(=O)N[C@@H](c2ccc(Cl)cc2Cl)C2=C1CC(C)(C)CC2=O 19799347 APCJTYHCPHLEHF-HNNXBMFYSA-N 353.249 4.333 30 40 FIEB N#C/C(=N\Nc1ccccc1[N+](=O)[O-])c1nc(-c2ccc(F)cc2)cs1 33826079 RWLUUVGYDYELMD-HYARGMPZSA-N 367.365 4.197 30 40 FIEB Cc1cc(Br)ccc1/N=C\c1ccc(O[C@H](C)C(=O)O)cc1 408848209 QVPRYCBCBWHFJC-FGHSJCFPSA-N 362.223 4.360 30 40 FIEB C#CCOc1c(Cl)cc(/C=C2/SC(=O)N(C(C)C)C2=O)cc1Cl 409017756 PENRBKSYTVWDPC-MDWZMJQESA-N 370.257 4.450 30 40 FIEB CCN1CCN(c2ccc(/N=C/c3ccc(OC)c(Cl)c3)cc2)CC1 904028 WABMUCLGTSVDGE-PXLXIMEGSA-N 357.885 4.241 30 40 FIEB C=CCN/C(S)=N/N=C/c1cccc(OCc2ccccc2Cl)c1 1969259 TUPXLXHBIYGQBU-CIAFOILYSA-N 359.882 4.314 30 40 FIEB C=CCn1c(C)cc(C(=O)CSc2nc(-c3ccccc3F)n[nH]2)c1C 3386437 BQAADBJFMZNRTN-UHFFFAOYSA-N 370.453 4.190 30 40 FIEB CCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(N(C)C)cc3)S2)cc1 5519992 URNKIDGGWCARSE-AQTBWJFISA-N 351.475 4.207 30 40 FIEB CCc1ccc2ncc(C#N)c(Nc3cc(OC)c(OC)c(OC)c3)c2c1 16841777 MDFCZSZWZAFTBE-UHFFFAOYSA-N 363.417 4.438 30 40 FIEB Cc1nc(C)c(-c2nnc(/N=C(\O)c3nc4ccccc4s3)o2)s1 49029325 WHTXEVKDWIAZGO-UHFFFAOYSA-N 357.420 4.056 30 40 FIEB CC(=O)O[C@@H]1CC(=O)C=C2CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@@H]3[C@]21C 83261238 FSXXWLFRHSAFAC-KECBEDLVSA-N 372.505 4.265 30 40 FIEB COc1ccc(C(=O)/C=C/c2cccc(SC(=O)N(C)C)c2)cc1OC 95469213 JXXVRKLXETXCRE-CSKARUKUSA-N 371.458 4.374 30 40 FIEB CC1=NOC(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2)cc1 100047506 ZNIITYRNZFDPMC-LICLKQGHSA-N 372.218 4.344 30 40 FIEB CCN1CC[C@](O)(/C=C\c2ccccc2)[C@H](C(=O)/C=C/c2ccccc2)C1 104269561 ZXMJHHNQOAEYKW-JDUDBTKUSA-N 361.485 4.055 30 40 FIEB CC(=O)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1C#N 225683957 ZMAYFOYBAQQBLX-UHFFFAOYSA-N 366.392 4.073 30 40 FIEB CCn1c(N/N=C/c2cc(Cl)c(OC)cc2OC)nc2ccccc21 408692922 YMVVNRAFKWVQNS-RGVLZGJSSA-N 358.829 4.173 30 40 FIEB C=CCOc1ccc(-c2c(-c3ccccc3)c[nH]c(=N)c2C#N)cc1OC 408979284 MBVRFZNLTLTUTQ-UHFFFAOYSA-N 357.413 4.273 30 40 FIEB Cc1cccc(/N=C/c2cc(Br)ccc2OCC(=O)O)c1C 409211992 PBGGKYZULAUULF-DJKKODMXSA-N 362.223 4.280 30 40 FIEB C=CCOC(=O)c1c(N)n(-c2cc(C)cc(C)c2)c2nc3ccccc3nc12 4995726 ABZDIMYJVWYNLU-UHFFFAOYSA-N 372.428 4.116 30 40 FIEB C[C@H]1CC(=O)C2=C(C1)Oc1c(c(=O)[nH]c3ccccc13)[C@@H]2c1ccccc1 9926832 VUITYKVCLXDPEI-ORAYPTAESA-N 357.409 4.306 30 40 FIEB C#CCOc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2ccc(F)cc2)cc1 36365698 YXIFKTULFHZASL-GOSISDBHSA-N 361.376 4.147 30 40 FIEB CC(C)(C)OC(=O)N1CCC(C#N)(c2cccc(C(F)(F)F)c2)CC1 79033206 ZFBGVSIAASQZMU-UHFFFAOYSA-N 354.372 4.498 30 40 FIEB CC(C)n1cc(C/C(O)=N/c2nc([C@@H]3CCCO3)n[nH]2)c2ccccc21 95478640 XBKLKHGWJPSOEJ-INIZCTEOSA-N 353.426 4.023 30 40 FIEB CCn1c(=O)c(C(=O)/C=C/c2ccc(Cl)cc2)c(O)c2ccccc21 100192700 REORRACNSZHZTI-FMIVXFBMSA-N 353.805 4.277 30 40 FIEB COc1cccc(N/C=C(/C(=O)c2cccs2)C(=O)C(F)(F)F)c1 100373502 MACQRXZZMXTOCT-XFXZXTDPSA-N 355.337 4.067 30 40 FIEB C=CCN1C(=O)/C(=C/C=C/C=C/Nc2ccc(OC)cc2)SC1=S 2520679 ALFKIMOZCWOAJU-XPTYEKIJSA-N 358.488 4.107 30 40 FIEB C=CCOC(=O)/C(=C\c1cccc2ccccc12)NC(=O)c1ccccc1 4611519 YCCJZCTZUZBKPQ-LTGZKZEYSA-N 357.409 4.340 30 40 FIEB O=[N+]([O-])c1cccc(/C=N/N=c2/[nH]c(-c3ccc(Cl)cc3)cs2)c1 5569033 JKFJFYRWENNKSU-GIJQJNRQSA-N 358.810 4.240 30 40 FIEB Fc1ccc(-c2ccc(/C=N/NC(=S)NCc3ccccc3)o2)cc1 6223168 GTUDOHADYFFADM-LPYMAVHISA-N 353.422 4.084 30 40 FIEB O=C(/C=C/Nc1cnn(CC(F)(F)F)c1)C12CC3CC(CC(C3)C1)C2 6828473 VOTHVMZAQVSMKV-OWOJBTEDSA-N 353.388 4.157 30 40 FIEB C=C(C)COc1ccccc1CN1CCC(O)(c2ccccc2OC)CC1 12344783 WVHWKTRNYGYNTD-UHFFFAOYSA-N 367.489 4.134 30 40 FIEB CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(OC)cc1)C2=O 13653568 JFUXZGZNINVQMA-UNOMPAQXSA-N 367.401 4.152 30 40 FIEB Cc1cc(C)nc(N/N=C\c2ccc(Sc3nc4ccccc4[nH]3)o2)n1 33733821 POGXIPAFDYZHRF-GRSHGNNSSA-N 364.434 4.160 30 40 FIEB Cc1ccc(C)c(-n2cnc(Cl)c2/C=N/Nc2ccccc2C(=O)O)c1 36390463 UODLCLSWERQZHV-LSHDLFTRSA-N 368.824 4.287 30 40 FIEB CCN(CC)/C(=N\c1cc([N+](=O)[O-])ccc1C)c1ccc([N+](=O)[O-])cc1 100542593 QUPVZICKCZZTOK-HNENSFHCSA-N 356.382 4.232 30 40 FIEB Cc1cc(C#N)ccc1C(=O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 183993095 CQGWWDZXIIXIRO-SFHVURJKSA-N 374.362 4.099 30 40 FIEB Cc1ccc(Cl)cc1N/N=C1\C(=O)Nc2ccc(C(F)(F)F)cc21 223746653 FEJPBRDJUVBUGN-UHFFFAOYSA-N 353.731 4.436 30 40 FIEB C=CCOc1ccc(NC(=S)N[C@H](C)COc2ccc(OC)cc2)cc1 225267968 AONOESSFYSHFLU-OAHLLOKOSA-N 372.490 4.014 30 40 FIEB CCCCOc1ccc(/C=N\Nc2nc(C)cc(COC)c2C#N)cc1 408600938 HLSMLZZFLHBBQQ-XKZIYDEJSA-N 352.438 4.033 30 40 FIEB CC[C@H]1CCc2c(sc(NC(=O)c3c(OC)cccc3OC)c2C#N)C1 5476906 MAIWFPINVAXDJW-LBPRGKRZSA-N 370.474 4.404 30 40 FIEB N#Cc1c(NC(=O)/C=C/c2ccc3c(c2)OCO3)sc2c1CCCCC2 6335093 BDCJWGVDRMKJHM-VQHVLOKHSA-N 366.442 4.269 30 40 FIEB CCN(CCC#N)c1ccc(/C=C/c2nc3ccccc3c(=O)[nH]2)c(C)c1 8779718 SMEOGYUCAXBQDR-ZRDIBKRKSA-N 358.445 4.142 30 40 FIEB C[C@H](SC1=NCCS1)C(=O)Nc1sc2c(c1C#N)CCCCC2 14141624 OKPMKFVBKPFZDB-JTQLQIEISA-N 365.549 4.052 30 40 FIEB C[C@H]1CCC[C@@H](C)N1C[C@@H](O)COc1ccc(/N=C/c2ccccc2)cc1 16514048 DCAKOVFISXHORD-OXKUCOAQSA-N 366.505 4.440 30 40 FIEB CC(=O)Nc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3onc(C)c32)cc1 33321062 HRQUKZAJESZVSG-SFHVURJKSA-N 365.433 4.142 30 40 FIEB CC(C)Oc1ccc(CCCNC(=S)Nc2ccc(CC#N)cc2)cc1 225568674 LICAQLPGKYVEKK-UHFFFAOYSA-N 367.518 4.459 30 40 FIEB CC/N=C1/S/C(=C/c2cc(C)n(-c3cc(C)ccn3)c2C)C(=O)N1CC 408931774 QCORGQQEVPCWSN-UCEMORSKSA-N 368.506 4.110 30 40 FIEB COC(=O)c1ccc(/N=C/c2ccc(N3CCCCC3)cc2OC)cc1 409243875 VRSAEIUGKVSQRF-PXLXIMEGSA-N 352.434 4.223 30 40 FIEB CCOc1ccccc1[C@H](O)[C@@H](C#N)Sc1nc2ccccc2s1 4943973 WVMUWPXNOOIZBT-SJORKVTESA-N 356.472 4.413 30 40 FIEB O=C1C=C(O/C=C\C(C(F)(F)F)C(F)(F)F)C(=O)c2ccccc21 4972299 LKCDUGIIEXOUAC-WAYWQWQTSA-N 350.214 4.221 30 40 FIEB CN(/C=C/C(=O)C(F)(F)F)[C@@]1(c2ccccc2Cl)CCCCC1=O 5505057 TYLWEAYXAFIWDU-PXUDHTSWSA-N 359.775 4.255 30 40 FIEB CC/C(=N/NC(=S)Nc1ccc(C)cc1C)c1ccc(OC)c(OC)c1 6245671 WEWTXWCXWCDEFI-JWGURIENSA-N 371.506 4.421 30 40 FIEB C=CCc1ccc(OCCN2CCCC[C@@H]2c2cccnc2)c(OC)c1 8792537 HGBFDCGNPIAHQI-HXUWFJFHSA-N 352.478 4.425 30 40 FIEB biogenic Cn1cc(/C=C2/Oc3cc(OC(=O)C4CC4)ccc3C2=O)c2ccccc21 9423822 XAFKMWYWPFMFHF-KEBDBYFISA-N 359.381 4.110 30 40 FIEB CCN(CCC(=O)Nc1sccc1C#N)[C@@H](C)c1cccc(OC)c1 40122941 OUVPFEQEQVTEIY-AWEZNQCLSA-N 357.479 4.040 30 40 FIEB CSc1nc(C2CC2)cc(C(=O)N(C)c2ccc(F)c(F)c2)c1C#N 65846447 ZXWSGCVXJXSCMK-UHFFFAOYSA-N 359.401 4.107 30 40 FIEB CCN(CC)/C(=N/S(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1 100847943 CLRNQVPWTWKJOC-CZIZESTLSA-N 364.898 4.126 30 40 FIEB C=CCOc1c(Br)cc(C(=S)N2CCCC2)cc1OCC 108002008 NYHXLRKAPTZEPZ-UHFFFAOYSA-N 370.312 4.184 30 40 FIEB COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2cccs2)S1 408879860 HKSDDEBPBOCFHN-JYRVWZFOSA-N 350.852 4.302 30 40 FIEB C#CCOc1c(Cl)cc(/C=C2/SC(=O)N(CC)C2=O)cc1Cl 409095446 HREKKZXEFCMSOJ-XYOKQWHBSA-N 356.230 4.062 30 40 FIEB COc1ccc(/N=C\c2cccc(OS(=O)(=O)c3ccccc3)c2)cc1 409213395 UCQJNZWSPCQNNV-QNGOZBTKSA-N 367.426 4.214 30 40 FIEB Clc1ccccc1/C=N/N=c1\[nH]c(-c2cccnc2)nc2ccccc12 1261144 WCFHSOZHXSJKPO-YDZHTSKRSA-N 359.820 4.213 30 40 FIEB CC(=O)OCc1cc(C(=O)/C=C/c2ccc(Cl)cc2)ccc1OC(C)=O 5519637 PMAPQFUTCQFRPY-WEVVVXLNSA-N 372.804 4.225 30 40 FIEB N#Cc1ccc(COC(=O)C2C[C@@H]3CC[C@H](C2)C32SCCS2)cc1 13131595 IEELGIWSHLYCJH-ALOPSCKCSA-N 359.516 4.214 30 40 FIEB C=CCSc1nnc(NC(=O)Cc2coc3cc(C)cc(C)c23)s1 16742313 STCIIOXATXAKPE-UHFFFAOYSA-N 359.476 4.360 30 40 FIEB CC(C)(C)c1nc(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cs1 75298190 KKGSVZGBHZCKEX-DOTOQJQBSA-N 353.491 4.353 30 40 FIEB C=CCOc1ccc(/C=C/C(=O)OCc2ncc(C(C)(C)C)o2)cc1OC 95396814 VOMFSZUEPJAZPF-CSKARUKUSA-N 371.433 4.302 30 40 FIEB C[C@H](C#N)N(c1ccccc1)S(=O)(=O)c1cc(Cl)sc1Cl 95961690 AXQPZYAIZYXCMR-SECBINFHSA-N 361.275 4.162 30 40 FIEB C=CCn1/c(=N/C(=O)c2ccc(C)cc2)sc2cccc(OCC)c21 100909551 IHPRRXSASZXUJO-MRCUWXFGSA-N 352.459 4.337 30 40 FIEB C=CCSc1nc2n(n1)[C@H](c1ccc(F)cc1)C1=C(O)CCCC1=N2 101324169 YPPRWMBYFGMSST-MRXNPFEDSA-N 356.426 4.367 30 40 FIEB Sc1nnc(C2CCCCC2)n1N=Cc1ccc(Br)cc1 253616998 QOZCMFXWKNOFGW-UHFFFAOYSA-N 365.300 4.259 30 40 FIEB CCC(C)(C)[C@H]1CCc2nc(N=C(O)[C@H]3CCc4nncn4C3)sc2C1 329177577 MWMCLTQPLRZILH-STQMWFEESA-N 373.526 4.126 30 40 FIEB CC(C)COc1ccccc1/C=N\c1sc2c(c1C#N)CCN(C)C2 408600905 GWCSCGDVNDHXNQ-JJFYIABZSA-N 353.491 4.393 30 40 FIEB COCCN1C(=O)/C(=C\c2ccccc2C)S/C1=N\c1ccccc1 2783098 ZPAXKFQBLYQMBJ-HOOMGSECSA-N 352.459 4.245 30 40 FIEB O=C(/C=C/c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccc(O)cc1 5692716 SYOJRQGIROWNMN-VZUCSPMQSA-N 352.390 4.187 30 40 FIEB COc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc(Cl)c1OC 7008842 ZBLRBMGGZOTQPU-QPSGOUHRSA-N 359.735 4.217 30 40 FIEB O=C(C1=C(c2ccccc2)NC(=S)N[C@H]1c1ccco1)c1ccccc1 8381065 XLLWZRRFLQCXTJ-IBGZPJMESA-N 360.438 4.093 30 40 FIEB C=CCn1c(SCc2cnn(-c3ccccc3)c2)nnc1-c1ccncc1 8936013 BRXNFZQAFWLNOL-UHFFFAOYSA-N 374.473 4.004 30 40 FIEB C=CCc1cc(C(=O)NCc2ccc(N3CCCCC3)cc2)ccc1OC 10113250 FLVVGXKWODFTDL-UHFFFAOYSA-N 364.489 4.344 30 40 FIEB O=C(/C=C1\N[C@@H]2CCCC[C@H]2N\C1=C/C(=O)c1ccccc1)c1ccccc1 13410484 RRRCNKSFZNYVIJ-PBVSXRTBSA-N 372.468 4.024 30 40 FIEB CCc1ccc2c(c1)/C(=N/Nc1nc(-c3ccc(C)cc3)cs1)C(=O)N2 13857159 PZFMVMPNPYXUSA-UHFFFAOYSA-N 362.458 4.449 30 40 FIEB N#Cc1ccc(NC(=O)CNc2ccccc2OC(F)(F)F)cc1Cl 22811801 SCMSZSHYLQGZNX-UHFFFAOYSA-N 369.730 4.161 30 40 FIEB COc1ccc(OC)c(/C=N/Nc2cc(C(F)(F)F)cc(Cl)n2)c1 91696108 DIDNENSKRZPRDY-DNTJNYDQSA-N 359.735 4.217 30 40 FIEB N#Cc1cc(N)c(Cc2ccccc2)n1Cc1ccc(Br)cc1 225855466 YVKIKBZFAOLJSH-UHFFFAOYSA-N 366.262 4.344 30 40 FIEB CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccco2)C(C#N)(C#N)[C@@H]2C=Cc3ccccc3N12 2258772 YHJDCWDKXVQGJK-ZCNNSNEGSA-N 371.440 4.296 30 40 FIEB C[C@H]1CCC[C@@H](C)N1C[C@H](O)COc1ccc(/N=C/c2ccccc2)cc1 3896355 DCAKOVFISXHORD-YRBLKVLBSA-N 366.505 4.440 30 40 FIEB CCCCOC(=O)c1ccc(/N=C/c2cc([N+](=O)[O-])cc(OC)c2O)cc1 6756898 WHQPBSONJZORAV-UDWIEESQSA-N 372.377 4.017 30 40 FIEB COCc1c(C#N)c(NCc2ccccc2)nc(C)c1NC(=O)CC(C)C 12372112 ZBGAEJFEUJRQNA-UHFFFAOYSA-N 366.465 4.005 30 40 FIEB CC(C)c1nc(C#N)c(NC[C@@H](c2ccc(C(F)(F)F)cc2)N(C)C)o1 32594192 FNMULIWORIMRJH-HNNXBMFYSA-N 366.387 4.403 30 40 FIEB Cc1ccc(-c2ccc(C#N)c(SCC(=O)NCc3ccccc3)n2)cc1 33011115 JOKADDCZCGPETP-UHFFFAOYSA-N 373.481 4.337 30 40 FIEB CC(C)(C)c1ccc(OCCN2C(=O)/C(=N\O)c3cccc(Cl)c32)cc1 46084697 NFEIZWYKVQEDCE-XLNRJJMWSA-N 372.852 4.241 30 40 FIEB Cc1ccc(N/N=C2\C(=O)N(C3CSC3)c3ccc(Cl)cc32)c(C)c1 223738711 OMLASALBWYPJMZ-PYCFMQQDSA-N 371.893 4.235 30 40 FIEB N#Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1 2620856 IOFDXBMFFSKTFP-UHFFFAOYSA-N 365.396 4.058 30 40 FIEB O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1cccs1)c1ccco1 4541154 IQKANFBVSBTINP-QGZVFWFLSA-N 365.410 4.120 30 40 FIEB O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1ccccc1)Nc1nonc1N2 12409231 ALRHUGTWLUJUSP-SJKOYZFVSA-N 364.430 4.111 30 40 FIEB COc1ccc(N2Cc3ccccc3/C2=N\C(=O)c2ccc(F)cc2)cc1 12524127 DXGPAPLNMSFIGI-DARPEHSRSA-N 360.388 4.442 30 40 FIEB O=C1/C(=C/c2cccnc2)Oc2c1ccc1c2CN(c2ccccc2F)CO1 13732718 YOTCHONSZNKGLB-JMIUGGIZSA-N 374.371 4.193 30 40 FIEB C=CCc1cc(C(=O)NCCSCc2ccccc2C)ccc1OC 14399517 SGPUWOPPYNHLRP-UHFFFAOYSA-N 355.503 4.395 30 40 FIEB C[C@H](/C(=N\N(C)C)c1ccccc1)[C@@H](C)/C(=N\N(C)C)c1ccccc1 17060785 ZDFMBBGNNCSRDC-NYOKSZGJSA-N 350.510 4.190 30 40 FIEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(N4CCCC4)o3)S2)cc1C 17167364 DGDMGXBSDYSANJ-ATVHPVEESA-N 367.474 4.388 30 40 FIEB CN(Cc1ccccc1)Cc1c(O)ccc2c1O/C(=C\c1ccco1)C2=O 20533358 OMWLWEJRTTUCGC-NDENLUEZSA-N 361.397 4.233 30 40 FIEB C=CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OCc2cccnc2)cc1 28922921 PUODRCSGWUFESN-QFIPXVFZSA-N 371.440 4.413 30 40 FIEB CC(C)=C[C@@H]1[C@@H](C(=O)[C@@H](C#N)c2nc(O)c3ccc(Cl)cc3n2)C1(C)C 48848605 FETWSOLLTYUYNX-FMKPAKJESA-N 369.852 4.403 30 40 FIEB CCCCCCCOc1cccc(CNCc2ccnc(N(C)C)n2)c1 97971435 ZALGHHWPIODQTJ-UHFFFAOYSA-N 356.514 4.182 30 40 FIEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(OC)cc3C)S2)cc1 408758408 JRZDBNIDELAIGL-PDGQHHTCSA-N 352.459 4.458 30 40 FIEB N#Cc1nc([C@H]2C[C@@H]2c2ccc(F)cc2)oc1NCCOc1ccccc1 1775977514 ZHSXSGVEVGXMFD-MSOLQXFVSA-N 363.392 4.447 30 40 FIEB Cc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)ccc1[N+](=O)[O-] 687054 LWIOLEPZQDYDQT-JTQLQIEISA-N 355.419 4.214 30 40 FIEB COc1ccc(/N=C2/S/C(=C\c3ccc(OC)c(C)c3)C(=O)N2C)cc1 1014562 LIFKQMDBABEGAS-UMWYYCSLSA-N 368.458 4.246 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(Nc2ccccc2F)C[C@H]1c1ccccc1 1079790 ZPJLFOUFRGXAEH-OXJNMPFZSA-N 353.393 4.057 30 40 FIEB C=C(C)CN1C(=O)[C@](O)(CC(=O)c2ccc(C(C)C)cc2)c2ccccc21 1320638 QJTDRYWXCAGXFP-QHCPKHFHSA-N 363.457 4.193 30 40 FIEB Cc1cc2cc(C#N)c(SCC(=O)N3CCC[C@@H](C)C3)nc2cc1C 1354497 FHJIDHRRUDUXHM-CYBMUJFWSA-N 353.491 4.074 30 40 FIEB C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(F)cc2)nc2ccccc21 4492819 QVISJDQLKSGBBI-ZDUSSCGKSA-N 355.438 4.481 30 40 FIEB COC(=O)Nc1sc(N/N=C/c2ccc(O)cc2)nc1-c1ccccc1 5879474 HUKCDXHPUTVQDG-YBFXNURJSA-N 368.418 4.140 30 40 FIEB CCCCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ncnn32)cc1 6656658 UGASFYDJQTYDKA-LJQANCHMSA-N 366.465 4.115 30 40 FIEB COc1ccc(/C=C2\S/C(=N/c3ccc(C)cc3C)NC2=O)c(OC)c1 6922362 OIMMDVBTYKUKFN-ZDLGFXPLSA-N 368.458 4.212 30 40 FIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCCc4ccc(F)cc4)[C@H]3C[C@H]12 12661363 IJPCICXBQIEOKE-AIDNLNPPSA-N 371.496 4.272 30 40 FIEB biogenic C=CCN(CCc1ccccc1)S(=O)(=O)c1ccccc1C(F)(F)F 60168437 HBEILDCIEWAYMW-UHFFFAOYSA-N 369.408 4.125 30 40 FIEB COc1ccc(CCCc2nnc(SCc3ccccc3C#N)o2)cc1 409010180 AOZAXOUQMMQRPF-UHFFFAOYSA-N 365.458 4.417 30 40 FIEB COc1cc(/C=N/c2sc3c(c2C#N)CCCC3)cc(OC)c1OC 712081 FNZKAEWFRDWAKH-SRZZPIQSSA-N 356.447 4.275 30 40 FIEB O=C(c1ccc(Cl)cc1)[C@H]1O[C@]12C(=O)Nc1c(Cl)cc(Cl)cc12 1624433 PDLFTPBJXAKBQW-ZBFHGGJFSA-N 368.603 4.076 30 40 FIEB Cc1c(Cl)cccc1-n1c(SCCC#N)nnc1-c1ccncc1 3341634 RIWKPJISGCNCCR-UHFFFAOYSA-N 355.854 4.297 30 40 FIEB N#Cc1c(NC(=O)COc2cccc(C(F)(F)F)c2)sc2c1CCC2 4577018 WOCRSDVGVROMNK-UHFFFAOYSA-N 366.364 4.145 30 40 FIEB N/C(Cc1ccc(Cl)cc1Cl)=N\OC(=O)c1cccc(Cl)c1 4899096 MKMKZLHPDGQFNF-UHFFFAOYSA-N 357.624 4.319 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@@H]1c1ccccc1C 4918288 SHSVYLNCWQMSEY-IFMALSPDSA-N 364.441 4.323 30 40 FIEB Cc1ccccc1[C@H](OC(=O)[C@@H](C)Oc1ccc(C#N)cc1)C(F)(F)F 24929694 JBGZKJJJACTVJP-DYVFJYSZSA-N 363.335 4.481 30 40 FIEB O=C(O/N=C(\c1ccc([N+](=O)[O-])cc1)c1cccs1)c1cccs1 30836350 KIJLFSFDWYGXOM-BMRADRMJSA-N 358.400 4.327 30 40 FIEB Cc1nc(S[C@@H](C)C(=O)NC[C@H](C)c2ccccc2)c(C#N)c(C)c1C 32887943 JKUJOQKORAYGEK-GUYCJALGSA-N 367.518 4.279 30 40 FIEB Cc1ccc(-c2csc([C@@H](C#N)C(=O)Nc3cccnc3Cl)n2)cc1 79101523 FRMWPGCYADWBPL-ZDUSSCGKSA-N 368.849 4.413 30 40 FIEB Oc1ccc(/C=N\Nc2nnc(Cc3ccccc3)c3ccccc23)cc1 96113521 NBMIFLKPDZTTTR-HAHDFKILSA-N 354.413 4.372 30 40 FIEB C=CCN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(OC)c(Cl)c1 224947261 FTHQDTMKBIVLSK-UHFFFAOYSA-N 365.882 4.347 30 40 FIEB Cc1ccc(C)c(/N=C\c2cc(Br)c(N3CCOCC3)o2)c1 408849840 ZNSWRKFECWAPAK-ODLFYWEKSA-N 363.255 4.246 30 40 FIEB Cc1cccc(C(=O)Oc2ccc(/C=N/Nc3nc(C)cs3)cc2)c1 409058043 SAFMCVCVSFZYQR-RGVLZGJSSA-N 351.431 4.425 30 40 FIEB CC(C)[C@@H]1CC[C@H](C)C2=C1N[C@@H](c1ccccc1)C(C#N)(C#N)C2(C#N)C#N 4811428 CNUAJBSOIJZAHJ-MDKPJZGXSA-N 369.472 4.354 30 40 FIEB CC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 5232036 KESGDPQFXQRYQP-QGZVFWFLSA-N 374.550 4.369 30 40 FIEB N#CCc1ccc(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)cc1 12804426 ANEYZXTUZPKDOP-UHFFFAOYSA-N 368.396 4.451 30 40 FIEB CCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O 13653733 YBGQPJXIGPRYRA-XACIZNRCSA-N 372.804 4.287 30 40 FIEB COc1cc2ccc(/C=C\C(=O)c3ccc4c(c3)OCO4)cc2cc1OC 17047176 ZKQNNZBNOBQNEN-DAXSKMNVSA-N 362.381 4.482 30 40 FIEB Cc1ccc(C[C@@H](C#N)Sc2nnc(/C=C/c3ccc(C)o3)[nH]2)cc1 31802476 ABFZZZCOMFRWQU-FVNWOWOISA-N 350.447 4.412 30 40 FIEB CCn1ncc2c(C(=O)Nc3ccccc3C#N)cc(-c3ccccc3)nc21 36616457 MAXHGNFWGZHEDX-UHFFFAOYSA-N 367.412 4.242 30 40 FIEB Cc1ccc2c(c1C)N(CCOc1cccc3ccccc13)C(=O)/C2=N\O 46084682 PKQZTIPLBXVXMO-ATJXCDBQSA-N 360.413 4.061 30 40 FIEB CCc1cc(C#N)c(NC(=O)[C@H](C)Sc2ccc(NC(C)=O)cc2)s1 89282781 BRMLXBGJMBOHLF-NSHDSACASA-N 373.503 4.260 30 40 FIEB OC(C/C(=N\N1CCCCC1)c1cccs1)(C(F)(F)F)C(F)(F)F 5854508 UKDFNEMVOUVNKY-UFFVCSGVSA-N 374.350 4.184 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccccc2)C[C@H]1c1cccc(OC)c1 6758279 WRISZSJOVVTGAX-PZJWPPBQSA-N 350.414 4.015 30 40 FIEB N#Cc1cccc(/C=C2/CCOc3cc(Br)ccc3C2=O)c1 12793626 AJOVAYPHGPABIR-ZROIWOOFSA-N 354.203 4.370 30 40 FIEB CC[C@H](ON=C1c2ccccc2-c2ccccc21)C(=O)Nc1cc(C)on1 16334499 HRCTYXHKZIAOEA-SFHVURJKSA-N 361.401 4.150 30 40 FIEB C=CCOc1ccc(C(=O)N(CC)Cc2nc(-c3cccs3)no2)cc1 28189585 ADCQKVYIVRNJSX-UHFFFAOYSA-N 369.446 4.025 30 40 FIEB Cc1ccc(C[C@@H](C#N)Sc2nc(C)c(C)n2C[C@@H]2CCCO2)cc1 32724406 PQOALOLNJSUTRT-OALUTQOASA-N 355.507 4.214 30 40 FIEB S=C(N/N=C\c1c[nH]c2ccc(Br)cc12)Nc1ccccc1 36046628 ADVIDMKLPVJIDK-GRSHGNNSSA-N 373.279 4.251 30 40 FIEB CCS[C@H]1CC[C@H](N(C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 72304988 GGGTXVAZGFXVAT-ICSRJNTNSA-N 373.566 4.156 30 40 FIEB Cc1ccc(Cn2nc(OCc3cccc4ccccc34)c(C#N)c2N)cc1 225846415 RGRICMUDUKBWBQ-UHFFFAOYSA-N 368.440 4.426 30 40 FIEB Cc1nnc(S)n1/N=C/c1ccc(OCc2cccc3ccccc23)cc1 408859499 YCSZWQVQGQUAOP-LPYMAVHISA-N 374.469 4.490 30 40 FIEB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/c2ccc3c(c2)OCO3)o1 408914295 PCHTXDRJZHKDFW-KEBDBYFISA-N 366.329 4.343 30 40 FIEB O=[N+]([O-])c1cccc(/N=C\c2cc(Br)c(Br)o2)c1 408950880 GQTGDYOMFGCGQP-NSIKDUERSA-N 373.988 4.463 30 40 FIEB C#CCOc1c(CC=C)cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc1OCC 409073759 XKXFCQMQXMGSSX-PXLXIMEGSA-N 364.401 4.485 30 40 FIEB CC[C@H](Cc1ccccc1)C(=O)N[C@H](C#N)c1cccc(Br)c1 535015717 ONZZARSBQCPLCE-CRAIPNDOSA-N 371.278 4.399 30 40 FIEB Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NS(C)(=O)=O 1442687 INLGRHHWGYWXGT-AWEZNQCLSA-N 369.273 4.329 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccccc2)C[C@@H]1c1ccc(OC)cc1 2205014 CTEUILIVXVVQJX-TZIWHRDSSA-N 350.414 4.015 30 40 FIEB C=CCN1C[C@@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1=O 4385991 CLYZVWIMLCDGHE-INIZCTEOSA-N 365.864 4.240 30 40 FIEB CCOc1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1OC 4618914 JGKSQRPFMXFLKH-UHFFFAOYSA-N 368.429 4.222 30 40 FIEB CCCCOc1ccc(/C=C2\S/C(=N\CC)N(CC)C2=O)cc1OC 5552115 XMBGLFVSBWWCRH-CJGMICOPSA-N 362.495 4.186 30 40 FIEB C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(C)cc3)cc21 8959617 HTSNGHTWTAPCPL-UHFFFAOYSA-N 364.445 4.185 30 40 FIEB C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC(c2c[nH]c3ccccc23)CC1 10140258 YCBGHOUNPWPPJA-INIZCTEOSA-N 372.472 4.246 30 40 FIEB COc1ccc(/C=C\C(=O)/C=C\c2ccc(OC)c(OC)c2)cc1OC 13377960 BUWQOPHMYRXMLL-OZDSWYPASA-N 354.402 4.017 30 40 FIEB N#Cc1c(NC(=O)c2ccco2)sc2c1CCN(Cc1ccccc1)C2 21345870 DXFPLTKHNXLFNW-UHFFFAOYSA-N 363.442 4.023 30 40 FIEB N#CCCn1cc(CNC[C@H](c2ccco2)N2CCCC2)c2ccccc21 22926520 JHTFFGWQPYNBNE-OAQYLSRUSA-N 362.477 4.075 30 40 FIEB CCOc1cc(N[C@H](C)C#N)c(OCC)cc1NC(=O)c1ccccc1 24162107 AMVNQXWZJAQIHP-CQSZACIVSA-N 353.422 4.060 30 40 FIEB Cc1ccc([C@@H]2CCCN2C/C(O)=N/c2nnc(-c3ccccc3)o2)cc1 26924671 ZKXBTNNPSHAOJR-SFHVURJKSA-N 362.433 4.470 30 40 FIEB CCN(Cc1ccc(C#N)cc1F)C(=O)c1[nH]c2ccccc2c1Cl 58312670 ZFLUSDROVJEEOB-UHFFFAOYSA-N 355.800 4.494 30 40 FIEB N#Cc1ccc(OC(F)(F)[C@H](F)OC(F)(F)F)c(Br)c1 98210932 YDLVCLCDRVUUAX-MRVPVSSYSA-N 364.039 4.124 30 40 FIEB CCCCCCCCCCCC(=O)O[C@@H](C)C(=O)O[C@H](C)C(=O)OCC 104049000 MZYZWWSOBOROCS-SJORKVTESA-N 372.502 4.334 30 40 FIEB N#Cc1c(OCc2ccc(Cl)cc2)nn(Cc2ccccc2Cl)c1N 225839725 PKMWXFPTUBMDPM-UHFFFAOYSA-N 373.243 4.271 30 40 FIEB C=CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc4ccccc4c3)c2C)C1=O 409124658 BWKLAGPZRKTSKB-KGENOOAVSA-N 371.440 4.326 30 40 FIEB Cc1ccccc1[C@@H]1C2=C(C[C@H](c3ccc(F)cc3)CC2=O)Nc2ncnn21 4782819 OYYMJMKWGYHMLF-YCRPNKLZSA-N 374.419 4.141 30 40 FIEB CC[C@@H]1S/C(=N/N=C/c2ccccc2)N(Cc2ccccc2C)C1=O 4899090 PSAJILIHHZSBRB-VZZUUUIUSA-N 351.475 4.239 30 40 FIEB CN(C)Cc1cc(C(=O)/C=C\c2cccc(Cl)c2)cc(CN(C)C)c1O 5822394 UJJOHVTVDSYXAP-HJWRWDBZSA-N 372.896 4.065 30 40 FIEB C=CCN(C(=O)CCOc1ccc(C)cc1)c1nc2c(s1)CCCC2 6553551 AOLFOGNBNDKFJD-UHFFFAOYSA-N 356.491 4.318 30 40 FIEB N#Cc1cccc(C(=O)OCC(=O)Nc2ccccc2Oc2ccccc2)c1 7395772 OFPXAKIUJKESJO-UHFFFAOYSA-N 372.380 4.146 30 40 FIEB C[C@@](C#N)(NC(=O)CNc1cc(Cl)ccc1Oc1ccccc1)C1CC1 9313623 SLKMOFBMAORLKO-FQEVSTJZSA-N 369.852 4.353 30 40 FIEB Cc1ccsc1/C=C1\Oc2c(ccc(O)c2CN2CCCCC2)C1=O 13540778 IVCHWPHFQIGZAX-BOPFTXTBSA-N 355.459 4.364 30 40 FIEB CCCc1noc(CCC(=O)Nc2cccc(C#Cc3cccs3)c2)n1 30770429 PQLLFEAKWWTKDQ-UHFFFAOYSA-N 365.458 4.055 30 40 FIEB O=C1N/C(=N/c2cccc3ccccc23)S/C1=C/c1ccc(O)c(O)c1 35644439 KPKOVFNORVSVDA-WOJGMQOQSA-N 362.410 4.143 30 40 FIEB N#Cc1nc(-c2ccccc2[N+](=O)[O-])oc1NCc1ccccc1Cl 35672220 JLIKEFNYCNHBMN-UHFFFAOYSA-N 354.753 4.387 30 40 FIEB COc1ccccc1CN1C(=O)/C(=N\Nc2ccccc2)c2ccccc21 46085047 PQKSQXKEMHJOMK-FLFQWRMESA-N 357.413 4.058 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccsc2)C[C@H]1c1ccccc1OCC 69374980 UIHWCIJKKHZSSE-PXNSSMCTSA-N 370.470 4.466 30 40 FIEB CCc1ccccc1/N=C1\S/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1C 213161113 IWTMQEFYVMUXPX-QHHAONBESA-N 367.430 4.391 30 40 FIEB COc1cc(CNC(=S)Nc2ccc(CC#N)cc2)ccc1OC(C)C 225530932 BFJWYAOPNYSHDK-UHFFFAOYSA-N 369.490 4.035 30 40 FIEB FC(F)(F)Cn1ccc(/C=N/Nc2nc(-c3ccccc3)cs2)n1 252503297 VASYZZBCYAKTAU-UFWORHAWSA-N 351.357 4.015 30 40 FIEB C=CCc1cc(/C=N/c2ccc(C(=O)OC)cc2C)cc(OCC)c1O 408851922 BPVXWLCOIORSLJ-LPYMAVHISA-N 353.418 4.365 30 40 FIEB C=CCc1cc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)cc(OC)c1OC 409018426 WUGQWPJKNVXPQB-JASJWYONSA-N 361.463 4.267 30 40 FIEB C#CCOc1c(Cl)cc(/C=N/Nc2nc3ccccc3[nH]2)cc1OCC 4678139 LMWIITMALOHOGD-CIAFOILYSA-N 368.824 4.073 30 40 FIEB COC(=O)c1c(/N=C/c2cccc([N+](=O)[O-])c2O)sc2c1CC[C@@H](C)C2 4739517 CCCUAQXVNIYDFE-XTTRTJGBSA-N 374.418 4.024 30 40 FIEB C=C(C)Cn1c([C@@H]2CC(=O)N(c3ccccc3OC)C2)nc2ccccc21 5209897 QEJNAZOTBPCVSU-MRXNPFEDSA-N 361.445 4.142 30 40 FIEB N#Cc1c(CSc2nnc(-c3ccc(F)cc3)o2)cn2ccccc12 11328579 HEVGDAAKCJKZGC-UHFFFAOYSA-N 350.378 4.292 30 40 FIEB C=C(C)CN(CC)C(=O)CSc1nc(-c2ccco2)nc2ccccc12 12772446 SMAUACXCVVMELJ-UHFFFAOYSA-N 367.474 4.407 30 40 FIEB COc1ccc2c(c1)-c1nc(/N=C/c3cccc(OC)c3O)sc1CC2 13119357 YDDRREHNYRFMBJ-SRZZPIQSSA-N 366.442 4.382 30 40 FIEB C=CCc1cc(CN2CCN(c3ccccc3Cl)CC2)c(O)c(OC)c1 16079056 LSQFAIQWEGMBJQ-UHFFFAOYSA-N 372.896 4.105 30 40 FIEB N#Cc1cccnc1N1CCN([C@@H]2CCc3c(Cl)cc(Cl)cc32)CC1 89773278 JLCHMEJSIJJFFT-GOSISDBHSA-N 373.287 4.070 30 40 FIEB CCCCCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC)cc1 98050607 NCVPPCLYJDZSTE-LJQANCHMSA-N 374.481 4.227 30 40 FIEB C=CCN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(OC)c(C)c1 224646594 URTITHFTJMLHNO-UHFFFAOYSA-N 365.882 4.347 30 40 FIEB CN1C2=C(C(=O)CCC2)C(c2cc(Cl)ccc2O)C2=C1CCCC2=O 792196 JUYDAWWLTCLFRP-UHFFFAOYSA-N 357.837 4.089 30 40 FIEB CC(C)=N/N=c1/scc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 1415499 IRPINDZOPAIHPA-CZIZESTLSA-N 352.419 4.411 30 40 FIEB CC/C(=N\NC(=S)Nc1ccc(C)cc1)c1ccc(OC)c(OC)c1 4871702 HZRBJIJEEIBYHA-LTGZKZEYSA-N 357.479 4.113 30 40 FIEB C=CCOc1ccc(CN(C)S(=O)(=O)c2ccc3ccccc3c2)cc1 7246389 STANJFQCZUXZOE-UHFFFAOYSA-N 367.470 4.225 30 40 FIEB C=CCSc1nnc(NC(=O)c2cc3ccccc3cc2OC)s1 7594480 LHGFUPWCCNMXIC-UHFFFAOYSA-N 357.460 4.230 30 40 FIEB C=CCn1c(S[C@H](C)C(=O)c2ccc(F)cc2)nc2ccsc2c1=O 12636066 BGRJGTWAIVGUCJ-LLVKDONJSA-N 374.462 4.147 30 40 FIEB CCCC[C@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccccc1OC 35147548 MZTQFNCSNRDZOG-KXBFYZLASA-N 359.466 4.196 30 40 FIEB CC(C)Sc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2C#N)cc1 53946326 LRKFBGCDNQWLDG-AWEZNQCLSA-N 368.458 4.243 30 40 FIEB COc1ccccc1Nc1nc2sc(C(=O)N[C@H](C)CC#N)cc2s1 95350457 UGMGPQIKSCRYSE-SNVBAGLBSA-N 372.475 4.142 30 40 FIEB C=CCc1cccc(CN2[C@@H]3CC[C@@H]2CC(O)(c2ccc(F)cc2)C3)c1O 100727368 KJRKDVBDXXKMMC-NHCUHLMSSA-N 367.464 4.274 30 40 FIEB CN(C(=O)c1cc2cc(Br)ccc2n1CC#N)c1ccccc1 2362801487 JOEXXSBQGVPKAD-UHFFFAOYSA-N 368.234 4.204 30 40 FIEB CCN1C(=O)/C(=C\c2ccccc2OC)S/C1=N/c1ccc(OC)cc1 4723956 AMCUGJCKGLPIAG-KXNKKEQVSA-N 368.458 4.328 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(F)cc2)C[C@H]1c1cccc(F)c1 4918476 HFUFUUQCFHQVCX-AZUAARDMSA-N 356.368 4.284 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2cccs2)C[C@H]1c1cccc(OC)c1 4918856 AWRCGTJTUWYUEF-QFBILLFUSA-N 356.443 4.076 30 40 FIEB COc1cccc(/C=C2\S/C(=N\c3ccc(C)c(C)c3)NC2=O)c1OC 6923820 GOESLOVELSXTLV-BOPFTXTBSA-N 368.458 4.212 30 40 FIEB COc1ccc([C@H]2CCCCCN2C(=O)COc2ccccc2C#N)cc1 8231934 MACMXYKODKIMOA-HXUWFJFHSA-N 364.445 4.090 30 40 FIEB C=CCc1cc(C(=O)Nc2ccccc2C(=O)N[C@H](C)CC)ccc1OC 14400916 LCFGBKXAOJMSIG-OAHLLOKOSA-N 366.461 4.204 30 40 FIEB C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Cl)cc1 16956912 QJMNLXGVZGRYKH-SFHVURJKSA-N 367.832 4.413 30 40 FIEB N#Cc1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 226339624 MASPACYZCFVOIM-UHFFFAOYSA-N 367.586 4.461 30 40 FIEB CC(C)c1nnc2ccc(N=C(O)N3CCC[C@@H]3c3cccs3)cn12 330004842 CVVBRRZDXASAKC-CQSZACIVSA-N 355.467 4.297 30 40 FIEB CCOc1ccc(Br)cc1/C=N/OCc1ccccc1C#N 408597439 ZQTLKVHCWOVDSB-RGVLZGJSSA-N 359.223 4.270 30 40 FIEB COc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCCCC3)C2=O)cc1 22625641 NDDWOLQPFCUPEY-MOSHPQCFSA-N 365.429 4.003 30 40 FIEB biogenic CCN(CC)[C@@H](CNC(=O)Nc1cc(C#N)cc(F)c1C)c1ccsc1 58008487 CQDBXMBKZLXGCJ-SFHVURJKSA-N 374.485 4.272 30 40 FIEB C=CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1C1CCCCC1 58120340 CHXIIUWUZHZOGS-UHFFFAOYSA-N 374.485 4.382 30 40 FIEB C=CCn1c(SCc2nc(C)c(C)o2)nnc1-c1ccccc1OC 58202653 DOIPRTAWZXVTJI-UHFFFAOYSA-N 356.451 4.037 30 40 FIEB O=C(O)c1cccc(-n2cccc2/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c1 409105985 LXUQBOKOMLPFOT-RGVLZGJSSA-N 369.764 4.488 30 40 FIEB C[N+](C)(CC(=O)c1ccc(Cl)cc1)CC(=O)c1ccc(Cl)cc1 3129697 WFQPVDFLJYEXPP-UHFFFAOYSA-N 351.253 4.135 30 40 FIEB CCCC[C@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1cccc([N+](=O)[O-])c1 4626442 PVOUQHSYYODXDA-KSSFIOAISA-N 374.437 4.096 30 40 FIEB Cc1nc2n(n1)[C@@H](c1ccc(F)cc1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 4736701 KQSYALISIAASKX-IERDGZPVSA-N 374.419 4.141 30 40 FIEB NC(=S)N/N=C1/c2cc(Cl)ccc2-c2c(Cl)cc(Cl)cc21 4984608 SSCFWVXYEZDYHV-UYRXBGFRSA-N 356.665 4.213 30 40 FIEB O=[N+]([O-])c1cc(/C=N/c2ccc3ccccc3c2)ccc1N1CCOCC1 5395275 JGDCAANHKJUJEZ-PXLXIMEGSA-N 361.401 4.335 30 40 FIEB CC(C)Oc1ccc(Cn2c(N)c(C#N)c3c(c2=S)CCCC3)cc1 9305365 PNQBXUFBIBNXDT-UHFFFAOYSA-N 353.491 4.386 30 40 FIEB CC(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccc(C#N)c(Cl)c1 12787607 SWEIQAZTUPNKAG-UHFFFAOYSA-N 363.200 4.085 30 40 FIEB C=CCSc1ccccc1NC(=O)c1nn(-c2ccccc2)nc1C 23299879 YIWOOQVCZAZCAN-UHFFFAOYSA-N 350.447 4.106 30 40 FIEB Cc1c2c(cc3c1O/C(=C\c1cccnc1)C3=O)CN(C1CCCC1)CO2 41586984 KMVAWOQAACYTMV-OCKHKDLRSA-N 362.429 4.101 30 40 FIEB O=S(=O)(/N=C(\O)CCc1ccccc1Br)C1CCCCC1 58076787 VCAWTXGKNSDFNO-UHFFFAOYSA-N 374.300 4.001 30 40 FIEB Oc1cccc2c1CC/C2=N\Nc1nc(C(F)(F)F)nc2ccccc12 84593241 LGSBNMIBOKTBTD-ZVHZXABRSA-N 358.323 4.117 30 40 FIEB CCN(c1ccc(CC#N)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 224936361 CYHDIKGODWKDDU-UHFFFAOYSA-N 369.273 4.275 30 40 FIEB COc1cc(/C=C2/CCC/C(=C\c3ccc(O)c(OC)c3)C2=O)ccc1O 607794 DHKKONBXGAAFTB-VRNBXGKJSA-N 366.413 4.335 30 40 FIEB CCCCCCCOc1ccc(S(=O)(=O)Nc2ccccc2N)cc1 1680927 JGGFSBFBQYTXOT-UHFFFAOYSA-N 362.495 4.419 30 40 FIEB Cc1cc(C)c(C#N)c(S[C@H](C)C(=O)Nc2ccc(F)cc2Cl)n1 5642567 PIOLGKKTOWKSHX-LLVKDONJSA-N 363.845 4.482 30 40 FIEB C=CCn1c(SCc2ccc(OC)c(F)c2)nnc1-c1ccoc1C 6911404 WJNPWQHYLTYGSW-UHFFFAOYSA-N 359.426 4.473 30 40 FIEB C=CCn1c(C)cc(C(=O)CSc2nnc(-c3ccoc3C)o2)c1C 7194420 AURINECPMGHZCC-UHFFFAOYSA-N 357.435 4.217 30 40 FIEB C=CCNc1oc(-c2cccc(C)c2)nc1S(=O)(=O)c1ccc(C)cc1 12419220 FPKWZCNAJJCQFQ-UHFFFAOYSA-N 368.458 4.389 30 40 FIEB C=CCNC(=O)c1ccccc1NC(=O)c1cc2ccccc2cc1OC 15609212 HDJYRWJABXNOQS-UHFFFAOYSA-N 360.413 4.017 30 40 FIEB C[N+](C)(C)/N=C(/CCC/C(=N\[N+](C)(C)C)c1ccccc1)c1ccccc1 17060791 SXYPCUIYGVGESV-XNMKTSCDSA-N 366.553 4.378 30 40 FIEB CCc1c(S[C@@H](C(=O)O)c2ccccc2)nc(C#N)c2c1CCCC2 71328739 FNWNPSVHUSCSNM-GOSISDBHSA-N 352.459 4.312 30 40 FIEB N#Cc1cc(N2CCC(c3nnc4ccccn34)CC2)ccc1C(F)(F)F 136887986 KRNNFDNAVULTHB-UHFFFAOYSA-N 371.366 4.004 30 40 FIEB CCn1c(C)cc(/C=N\c2ccccc2I)c1C 409072706 KNNZENLLAALONR-YVLHZVERSA-N 352.219 4.480 30 40 FIEB N#CCc1ccc(NC(=O)c2cc(Cl)cc(Br)c2O)cc1 813269 XYZPVYUIIJINAH-UHFFFAOYSA-N 365.614 4.126 30 40 FIEB N#Cc1cc2c(nc1SCC(=O)OCc1ccccc1)CCCCCC2 1051795 QWVLTGZMGNXLHR-UHFFFAOYSA-N 366.486 4.448 30 40 FIEB N#Cc1ccc(NC(=O)CCCOc2ccc(Br)cc2)cc1 2634630 IXCFZTTVUZYPPN-UHFFFAOYSA-N 359.223 4.118 30 40 FIEB Cn1c(SCc2ccc(C#N)cc2)nc2sc3c(c2c1=O)CCCC3 4286116 KSIJQWSIXQLVQX-UHFFFAOYSA-N 367.499 4.038 30 40 FIEB C(=N/Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)\c1ccco1 4478015 UGUTYGQCTIPGBU-KGENOOAVSA-N 371.404 4.398 30 40 FIEB CN1/C(=C/C(=O)C(F)(F)C(F)(F)C(F)(F)F)Sc2ccccc21 5173031 PMXQNJWJEZRAQI-POHAHGRESA-N 359.266 4.472 30 40 FIEB C[C@@H](Sc1nc2ccccc2n1CCC#N)C(=O)Nc1ccccc1F 12627622 BFKVEXRBKZYLRU-CYBMUJFWSA-N 368.437 4.208 30 40 FIEB C/C(=N\OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cc2ccccc2o1 14351749 NHWGXISMYJFVQE-UDWIEESQSA-N 368.345 4.148 30 40 FIEB N#CCN(C(=O)CSC1=Nc2ccccc2CS1)c1ccccc1 22022292 SRGTWVMBIZEPIQ-UHFFFAOYSA-N 353.472 4.211 30 40 FIEB CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccccc2N2CCCCC2)c1O 66339483 VWRBOHNYMABEPI-KGENOOAVSA-N 369.421 4.440 30 40 FIEB C=CCC1(C(=O)OCc2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 144300711 XOJNLSMELRYXHR-UHFFFAOYSA-N 359.466 4.323 30 40 FIEB C=CCOc1ccc(NC(=S)NCCCSCc2ccco2)cc1 225594884 OEALFTUFYIVJRX-UHFFFAOYSA-N 362.520 4.454 30 40 FIEB CC1(C)[C@@H]2CC[C@]1(C)C(=O)/C2=C\C(=O)O/C=C1\C(=O)[C@@]2(C)CC[C@@H]1C2(C)C 245240400 PWHGOAZEQDQCIY-FRQIHCRXSA-N 370.489 4.390 30 40 FIEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccccc3OCC#N)S2)cc1 408767422 XJHNCYVPJCYJJN-AQTBWJFISA-N 363.442 4.043 30 40 FIEB C=C1C[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@]2(C)[C@]1(OC(C)=O)C(C)=O 504581412 CKFBRGLGTWAVLG-FAQXLEIZSA-N 370.489 4.185 30 40 FIEB biogenic C=C[C@@]1(O)CC[C@@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@@H](OC(C)=O)CC[C@]5(C)[C@H]3CC[C@@]21C 2038319085 RSBPOYAJCVXJON-HPHOVTADSA-N 374.521 4.009 30 40 FIEB O=C1/C(=C\c2ccc3c(c2)OCO3)CCC/C1=C/c1ccc2c(c1)OCO2 872880 FSKXKUGPSKOGHB-JCDHFMOQSA-N 362.381 4.364 30 40 FIEB aggregator O=S(=O)(O[C@H](c1ccccc1)C(F)(F)F)c1ccc(Cl)cc1 2298367 OCZWIBLCFUMWKY-CYBMUJFWSA-N 350.745 4.349 30 40 FIEB O=C(Oc1ccc2c(c1)O/C(=C\c1ccncc1)C2=O)c1ccccc1F 5180342 VYTPZMXASJHPNS-ODLFYWEKSA-N 361.328 4.056 30 40 FIEB C=CC[n+]1c(-c2ccccc2)csc1NNc1ccc([N+](=O)[O-])cc1 5495026 ICRWJXKZXUJSEA-UHFFFAOYSA-O 353.427 4.236 30 40 FIEB Cc1ccc(O)c(/C(CCCC/C(=N\O)c2cc(C)ccc2O)=N/O)c1 6189433 NIXGJLASULMVEC-KSTNYAOJSA-N 356.422 4.332 30 40 FIEB C=CCOc1cc2c(cc1[C@@H](C)c1cc(OC)c(OC)c(OC)c1)OCO2 6437355 ZRFJRXAIGQNHAD-ZDUSSCGKSA-N 372.417 4.158 30 40 FIEB C=CCN(C(=O)Nc1ccc(F)cc1C#N)c1nc2c(s1)CCCC2 12752425 QQVNMEQZYDSHBH-UHFFFAOYSA-N 356.426 4.257 30 40 FIEB CC1(C)Cc2c(C#N)c(NC[C@@H]3CCCO3)nc(-c3ccccc3)c2CO1 13757233 BGVACEPDPCXDOD-INIZCTEOSA-N 363.461 4.062 30 40 FIEB CCN(CCC#N)c1ccc(CNCC2(N(C)C)CCCCC2)c(C)c1 38720165 GCEDYSAKWKYKAN-UHFFFAOYSA-N 356.558 4.089 30 40 FIEB COc1cc(/C=C/C(=O)c2sc(C(C)(C)C)nc2C)cc(OC)c1O 40139860 PNILARFLPKCGFX-BQYQJAHWSA-N 361.463 4.368 30 40 FIEB C=CCn1cnnc1SCc1cccc(C(=O)Nc2ccccc2)c1 54450303 MAYJOROUMGXSFH-UHFFFAOYSA-N 350.447 4.009 30 40 FIEB N#Cc1c(OCc2ccccc2Cl)nn(Cc2ccccc2Cl)c1N 225839680 VGNDKYHCVPCLKX-UHFFFAOYSA-N 373.243 4.271 30 40 FIEB CCc1cccc(CC)c1NC(=O)CSc1nc(C)cc(C)c1C#N 878198 PJIXFGNHPVTDKJ-UHFFFAOYSA-N 353.491 4.426 30 40 FIEB C=C(Br)CSc1nc(N)c2c3c(sc2n1)CCCC3 4321380 KZYCPFPABGWQMI-UHFFFAOYSA-N 356.314 4.153 30 40 FIEB CCC[C@@H]1S/C(=N/N=C/c2ccccc2)N(Cc2ccc(F)cc2)C1=O 4910731 MJRLYDONLOUCPS-MWDTWODRSA-N 369.465 4.460 30 40 FIEB CCN(CC)c1ccc2cc(C(=O)/C=C/c3cccc(C#N)c3)c(=O)oc2c1 12540019 NQUMAXHQKCMCAN-DHZHZOJOSA-N 372.424 4.407 30 40 FIEB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)c1ccc(C#N)cn1 40067587 JVZZIZIABMPDKN-INIZCTEOSA-N 356.429 4.403 30 40 FIEB COc1ccc(C/C(O)=N/c2nnc(C3CCCCC3)s2)cc1OC 50011100 IKETWDFRGWRVND-UHFFFAOYSA-N 361.467 4.434 30 40 FIEB C#Cc1cc(F)c(NC(=O)N(C)Cc2ccc(OC(F)F)cc2)c(F)c1 89355991 KOCDTQQEQUOWRB-UHFFFAOYSA-N 366.314 4.211 30 40 FIEB CCC/N=C/c1c(-c2ccccc2)[nH]n(-c2nc3ccccc3s2)c1=O 100182196 ZHWNDLKNIVYXEE-FYJGNVAPSA-N 362.458 4.271 30 40 FIEB Cc1ccc(-c2csc3ncn(Cc4ccccc4C#N)c(=O)c23)s1 8394634 ALEPLMLQOYIXMU-UHFFFAOYSA-N 363.467 4.415 30 40 FIEB Cc1nnc(Sc2nc3cc(Cl)cc(Cl)c3[nH]2)c(C#N)c1C 12520202 JLKBMSGHDRUFQK-UHFFFAOYSA-N 350.234 4.299 30 40 FIEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 12978359 DZUOOERWCCNLGO-ORAYPTAESA-N 354.837 4.246 30 40 FIEB C=CCN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(C)cc1 205887707 NQDNXNFCVNVYEA-UHFFFAOYSA-N 355.381 4.395 30 40 FIEB C=CCOc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3cc(OC)ccc32)cc1 219643129 UTJCXMVMTJAPAG-IBGZPJMESA-N 367.445 4.292 30 40 FIEB CCN(Cc1ccccc1)c1nn(-c2ccccc2C(F)(F)F)nc1C#N 256047192 LAIBCSPVAOUBIL-UHFFFAOYSA-N 371.366 4.184 30 40 FIEB C=CCc1cc(C=O)cc(Br)c1OCc1ccccc1C#N 408854948 LFCQZRDQOKSORC-UHFFFAOYSA-N 356.219 4.441 30 40 FIEB Cc1cc(C)cc(-n2c(C)cc(/C=N/Nc3ncccc3[N+](=O)[O-])c2C)c1 409069002 UCHXHRRZYOUVCO-WSDLNYQXSA-N 363.421 4.460 30 40 FIEB CCOC(=O)c1sc(=S)n(CC)c1/N=C(\O)c1ccccc1C 2313819 JBSGFAANBSLJTQ-UHFFFAOYSA-N 350.465 4.420 30 40 FIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCCc4ccc(F)cc4)[C@H]3C[C@H]12 4040461 IJPCICXBQIEOKE-XARADAHVSA-N 371.496 4.272 30 40 FIEB biogenic CC(C)c1ccc(-n2ccnc2SCC(=O)N[C@@](C)(C#N)C(C)C)cc1 8409605 HJVBVRNTITXSPD-FQEVSTJZSA-N 370.522 4.142 30 40 FIEB C=CCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)C(C)(C)C 12409893 OUNLDZZMVAVNKD-UHFFFAOYSA-N 374.506 4.108 30 40 FIEB CC1(C)CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1ccc(Cl)c(Cl)c1 15083411 ARYUAWVTXLHDIS-HNNXBMFYSA-N 363.248 4.243 30 40 FIEB N#Cc1ccccc1COC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 100902852 CJARIQWLHUMFCY-CXTCDGGRSA-N 374.278 4.335 30 40 FIEB COc1cc(Cl)cc(/C=N/c2sc3c(c2C#N)C2CCN3CC2)c1O 1095400 JKBXHXJBZDQYHE-ZVBGSRNCSA-N 373.865 4.435 30 40 FIEB Cc1cccc([C@@H]2CC(=O)N(N(C)C)C3=C2C(=O)C[C@H](c2ccccc2)C3)c1 1430119 HZHVIKCXPYCTJH-UXHICEINSA-N 374.484 4.188 30 40 FIEB O=C(O)C(=O)/C(=C/c1ccccc1C(F)(F)F)c1ccc2ccccc2n1 32642028 WAWISSQZPGUGIC-SDNWHVSQSA-N 371.314 4.448 30 40 FIEB CC(C)[C@@H](C#N)OC(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl 78988948 IVDQJCNJDQLHHR-OAHLLOKOSA-N 350.846 4.420 30 40 FIEB COc1cccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)c1 409294600 BCILQANNSBDPCC-UHFFFAOYSA-N 361.445 4.335 30 40 FIEB N#Cc1nc([C@@H]2C[C@H]2c2ccc(F)cc2)oc1NCCOc1ccccc1 1775977523 ZHSXSGVEVGXMFD-ZWKOTPCHSA-N 363.392 4.447 30 40 FIEB COc1ccc([C@@H](CC(=O)c2ccc(Cl)cc2)C(C#N)C#N)cc1OC 852485 WYILAFQIQSQDHA-QGZVFWFLSA-N 368.820 4.377 30 40 FIEB N#CCCn1cc(C(=O)N2CCCCC2)c(-c2ccc3ccccc3c2)n1 4516871 AECCAUWTLQBRSM-UHFFFAOYSA-N 358.445 4.243 30 40 FIEB C[C@H]1CCc2c(sc(NC(=S)NC(=O)c3cccc(F)c3)c2C#N)C1 6824571 IJXDGHYLUAMVMY-JTQLQIEISA-N 373.478 4.010 30 40 FIEB C=C(C)COc1ccc2c(c1)O/C(=C\c1cccc(OC)c1OC)C2=O 12862575 CLRPBDPWRNGRBW-GRSHGNNSSA-N 352.386 4.275 30 40 FIEB biogenic CC(C)n1ncc2c(C(=O)Nc3cccc(C#N)c3)cc(-c3ccco3)nc21 12912561 BYIJFIPGHNRONV-UHFFFAOYSA-N 371.400 4.396 30 40 FIEB COc1ccc(-n2cc(-c3ccc(Cl)cc3)c(C#N)c2N)c(OC)c1 15108243 LQUOXBOLXCHAEB-UHFFFAOYSA-N 353.809 4.269 30 40 FIEB CC(C)Oc1ccccc1/C=C/C(=O)c1cc2c(s1)SCC(=O)N2 95468057 DVDBAHGZEQCEBC-BQYQJAHWSA-N 359.472 4.476 30 40 FIEB C=CCN1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2OC)SC1=S 409246695 ALWUBVKJNPFDHP-ATVHPVEESA-N 374.531 4.073 30 40 FIEB COc1ccc(-c2ccc(C#N)c(SCC(=O)OC(C)(C)C)n2)cc1 662093 GMCKMPIVYLGFDT-UHFFFAOYSA-N 356.447 4.063 30 40 FIEB N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)O)cc2)cc1 990864 NZDSLAZGOHKGCW-RBUKOAKNSA-N 364.401 4.180 30 40 FIEB Cc1cc(C)c2cc(C#N)c(SCC(=O)N3CCC(C)CC3)nc2c1 1354348 DMIYQQKCDCKGPU-UHFFFAOYSA-N 353.491 4.074 30 40 FIEB O=[N+]([O-])c1cccc(/C=N\c2ccc(Br)c3cccnc23)c1O 5344195 XCKKZVQNAQTJIS-OCKHKDLRSA-N 372.178 4.362 30 40 FIEB CC(C)CC(=O)Nc1ccc(C2=NN/C(=N\c3ccccc3)SC2)cc1 5861268 RGWARSNBNGHYTN-UHFFFAOYSA-N 366.490 4.399 30 40 FIEB COc1cc(C#N)ccc1OC(=O)COc1ccccc1-c1ccccc1 6310173 FUVWFAOBPHMMJB-UHFFFAOYSA-N 359.381 4.218 30 40 FIEB Cc1c(C#N)c(NC(=O)CN2CCCCCC2)n(C2CCCCC2)c1C 8119240 UZQPJAFJWVVCAM-UHFFFAOYSA-N 356.514 4.296 30 40 FIEB Cc1nc(OCC(=O)c2ccc(Cl)cc2)c(C#N)c2c1COC(C)(C)C2 17440327 UIRXQVIBEMDDOS-UHFFFAOYSA-N 370.836 4.028 30 40 FIEB COC(=O)[C@@H](C#N)c1nc2ccccc2nc1Oc1ccc2ccccc2c1 36391593 CIKQWZPKOPLIMU-KRWDZBQOSA-N 369.380 4.355 30 40 FIEB CCN(CC(=O)N[C@H](C)c1ccccc1Cl)[C@@H](C)c1ccc(C#N)cc1 40135381 GRHPYHKBBVQXFQ-CVEARBPZSA-N 369.896 4.472 30 40 FIEB O=C1/C(=N\O)c2ccc(Cl)cc2N1CCOc1ccc2ccccc2c1 46084722 MHCRZAHPBOEYGA-QOCHGBHMSA-N 366.804 4.097 30 40 FIEB CC1=C(N/N=C2\C=CC(=O)c3ccccc32)C(=O)[C@@H](c2ccccc2)[C@@H]1C 1554504463 WBKWGZNUFKYIDG-WJDZKTKRSA-N 356.425 4.009 30 40 FIEB CC(=O)Oc1ccc([C@H](C#N)c2ncc(C(F)(F)F)cc2Cl)cc1 1385860 SMBFFRWTESJBMQ-ZDUSSCGKSA-N 354.715 4.335 30 40 FIEB C[C@@H](CCc1ccccc1)NC(=O)CO/N=C/c1ccc(C(C)(C)C)cc1 3321278 FJOKYBFLFOYLPB-MRSJDWDVSA-N 366.505 4.472 30 40 FIEB Cc1nc(N/N=C/c2ccc(N(C)C)cc2)c2c3c(sc2n1)CCCC3 3897652 FVHYKTZEABNYDQ-CIAFOILYSA-N 365.506 4.391 30 40 FIEB COc1ccc(/C=N/Nc2cc(Cl)nc(-c3ccccc3)n2)cc1OC 4713154 UAOAIYWMEQLGSE-CIAFOILYSA-N 368.824 4.260 30 40 FIEB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccncc1)c1cccnc1 7904663 URAPFYWLTFNNRX-CMDGGOBGSA-N 352.397 4.225 30 40 FIEB Clc1ccc(CN/N=C/c2ccccc2I)cc1 10118829 HTIAVUFTJNPYJA-VCHYOVAHSA-N 370.621 4.068 30 40 FIEB Sc1nnc(-c2cc(-c3ccccc3)n[nH]2)n1/N=C/C=C/c1ccccc1 13598550 NKSCAPIRAWUWPL-FPQBULDBSA-N 372.457 4.171 30 40 FIEB C=CCOC(=O)c1nnc2c(-c3cccc4ccccc34)c(CC)nn2c1C 20633799 JHQQKJQHSGNRPD-UHFFFAOYSA-N 372.428 4.158 30 40 FIEB C=CCc1cc(C(=O)Nc2ccc3oc(C)nc3c2)cc(OC)c1OC 24924214 XWDSSKGROZESLX-UHFFFAOYSA-N 352.390 4.134 30 40 FIEB O=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F 95708016 GRVMOMUDALILLH-UHFFFAOYSA-N 366.048 4.221 30 40 FIEB O=C(COc1ccc(/C=N\c2ccc(F)cc2)cc1)NCc1ccccc1 100413157 HOZZBKKYAXTLLB-OYKKKHCWSA-N 362.404 4.272 30 40 FIEB O=C1C(=O)N(c2ccccc2)[C@H](c2ccccc2)/C1=C(\O)c1ccccc1 100439896 UQBGJFLODCDKNC-YDJIHCHBSA-N 355.393 4.313 30 40 FIEB CCN1C(=O)S/C(=C/c2ccccc2OCc2ccccc2C#N)C1=O 409089587 NBWWETYHEJQBNV-WOJGMQOQSA-N 364.426 4.193 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(C)cc2)C[C@@H]1c1cccc(F)c1 4920022 TWYZRYFQAAGRHT-TZIWHRDSSA-N 352.405 4.453 30 40 FIEB O=C1CS/C(=N\c2cccc(C(F)(F)F)c2)N1Cc1ccccc1 4996447 VBHQLQLCCHRVSK-PGMHBOJBSA-N 350.365 4.469 30 40 FIEB Fc1cccc(Cl)c1/C=N/NC(=S)NC12CC3CC(CC(C3)C1)C2 5048236 AOBKFRVMSWDZBR-UFFVCSGVSA-N 365.905 4.246 30 40 FIEB C=CCn1c2cc(C)sc2c2cnn(Cc3ccccc3F)c(=O)c21 12113472 CRKNFBOIDWXJMI-UHFFFAOYSA-N 353.422 4.095 30 40 FIEB Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C(=O)O)c2ccccc2)n1 22866719 RPOJBRMBSZCPCZ-CYBMUJFWSA-N 352.337 4.199 30 40 FIEB CCOc1cc(N[C@@H](C)C#N)c(OCC)cc1NC(=O)c1ccccc1 24162103 AMVNQXWZJAQIHP-AWEZNQCLSA-N 353.422 4.060 30 40 FIEB N#C[C@H](C(=O)CSc1ccccn1)c1nc(-c2ccccc2)cs1 26015926 DOSRQAQKMGVYDK-CQSZACIVSA-N 351.456 4.174 30 40 FIEB Cc1nnc(S)n1/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 38962741 WCXPPDVYRIMHTD-REZTVBANSA-N 353.234 4.324 30 40 FIEB COc1ccc(CNc2cccc(-c3ccn[nH]3)c2)cc1OCCCC#N 95431261 DTPSGIILBHWQEX-UHFFFAOYSA-N 362.433 4.380 30 40 FIEB C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)I 196772570 QZXYRRIBHBIXQN-UHFFFAOYSA-N 353.978 4.106 30 40 FIEB COc1cc(N2CCCCC2)ccc1/C=N/c1ccc(NC(C)=O)cc1 409248752 IMNIIDMSOAOHAH-PXLXIMEGSA-N 351.450 4.395 30 40 FIEB C[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2C#N)C1 4078855 DRGLEDDIATXXSJ-BIPYJSMBSA-N 367.430 4.305 30 40 FIEB Cc1nc2n(n1)[C@H](c1ccc(F)cc1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 4736700 KQSYALISIAASKX-IIBYNOLFSA-N 374.419 4.141 30 40 FIEB Cc1ccc([C@@H](NC(=O)COc2cccc(C#N)c2)c2cccs2)cc1 12817891 JPJJXKKYHBKKCD-OAQYLSRUSA-N 362.454 4.213 30 40 FIEB CCOC(=O)/C(=N/[C@@H](C)CC)NNc1cc(C(F)(F)F)ccc1Cl 15906806 ANOLUROSNVJTLC-VIFPVBQESA-N 365.783 4.035 30 40 FIEB C[C@](C#N)(NN[C@](C)(C#N)c1ccc(Cl)cc1)c1ccc(Cl)cc1 19170645 FDDQLIJOZGWMET-QZTJIDSGSA-N 359.260 4.265 30 40 FIEB CN(C)c1ccc(/C=C/C=N/Nc2nc3ccccc3nc2Cl)cc1 41127781 LCVWCMWMOUDHBK-BXQACYKASA-N 351.841 4.460 30 40 FIEB CCCCCCCSc1nc(N)c2c3c(sc2n1)CN(C)CC3 97954270 FIYCTFXAWRWYBB-UHFFFAOYSA-N 350.557 4.324 30 40 FIEB CC(/C=C(C)/C=C/c1ccccc1)=N/NS(=O)(=O)c1ccc(C)cc1 4273571 MXUZSUTUSDYKRY-WMENNWEWSA-N 354.475 4.309 30 40 FIEB Cc1cc(C2=NN/C(=N\C3CC3)SC2)c(C)n1[C@@H](C)c1ccccc1 8719500 TVDJAWLRMPASCE-AWEZNQCLSA-N 352.507 4.273 30 40 FIEB COC(=O)c1ccc(/C=C2/S/C(=N/c3ccccc3Cl)NC2=O)cc1 13550621 BPSOQZOTWRTTOR-XNTDXEJSSA-N 372.833 4.018 30 40 FIEB CCCNc1nnc(SCc2c(C#N)c(C)nn2-c2ccccc2)s1 24171347 YMURGVHXFOFVDF-UHFFFAOYSA-N 370.507 4.018 30 40 FIEB Cc1c(Cl)cccc1N/N=C1/C(=O)Nc2cc(N3CCCC3)ccc21 43958089 GEHONAGEGWZICC-UHFFFAOYSA-N 354.841 4.017 30 40 FIEB Cn1cc(C(=O)/C=C/c2cccc(NC(=O)c3ccccc3Cl)c2)cn1 58191249 JSMDBEXTVGZOJP-MDZDMXLPSA-N 365.820 4.222 30 40 FIEB C=CCc1cc(/C=N/c2cc(C(=O)OC)ccc2C)cc(OCC)c1O 59250224 GGPSXUYOCRHBCF-LPYMAVHISA-N 353.418 4.365 30 40 FIEB C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C(Br)=C4CC[C@@H]3[C@@H]1CC[C@H]2O 263593179 AYZGVGDSHHIXQT-FOIKCKNQSA-N 353.300 4.212 30 40 FIEB C[C@H]1CC(=O)C2=C(O1)c1c(ccc3ncccc13)N[C@H]2c1cccc(O)c1 1440468 YNCJBJIKDVIMJE-QKVFXAPYSA-N 358.397 4.196 30 40 FIEB Cc1ccc([C@H]2C3=C(CCCC3=O)Nc3nn(-c4ccccc4)c(O)c32)cc1 4702779 ACVWXQDLQGXWRF-IBGZPJMESA-N 371.440 4.451 30 40 FIEB CC(C)c1ccc(/C=N/n2cnc3sc4c(c3c2=O)CCCC4)cc1 5413559 AFEQBWNEEXSCCY-SSDVNMTOSA-N 351.475 4.342 30 40 FIEB CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(Cl)c1OC 7743782 ALWAFWPTEOAGST-GQCTYLIASA-N 360.793 4.372 30 40 FIEB COc1cccc(NC(=O)[C@H](Oc2ccc(C#N)cc2)c2ccccc2)c1 7890275 WWRHHVSSKFCXKB-OAQYLSRUSA-N 358.397 4.326 30 40 FIEB CCN1C/C(=C/c2ccc(OC)cc2)C(=O)/C(=C/c2ccc(OC)cc2)C1 12604690 VQUWAROOHKASSD-LRVMPXQBSA-N 363.457 4.075 30 40 FIEB N#Cc1ccc(CN2CCC[C@@H]2C(=O)Nc2cc(Cl)ccc2Cl)cc1 32825504 BZAXMFUPXRPXBT-GOSISDBHSA-N 374.271 4.468 30 40 FIEB CCOC(=O)C/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1Cl 72238822 BWTGOELPCRZWBP-WSDLNYQXSA-N 367.836 4.175 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(F)c2)C[C@@H]1c1cccc(F)c1 97105003 WRIMBNAMJHSDDG-QUCCMNQESA-N 356.368 4.284 30 40 FIEB FC(F)(F)CC(I)(C(F)(F)F)C(F)(F)F 100476511 DMCRZIQQALSJMD-UHFFFAOYSA-N 359.957 4.237 30 40 FIEB Cc1cc(Br)ccc1/N=C\c1ccc(O[C@@H](C)C(=O)O)cc1 408848210 QVPRYCBCBWHFJC-ZTPSMGMTSA-N 362.223 4.360 30 40 FIEB COc1ccc(/N=C\c2ccccc2OCc2ccc(C(=O)O)cc2)cn1 408959523 AIDQPJKHFMAKGM-UUYOSTAYSA-N 362.385 4.118 30 40 FIEB CCCC/N=C(\S)N1CCN(C(c2ccccc2)c2ccccc2)CC1 13556488 WLCYUFXGZYFLRT-UHFFFAOYSA-N 367.562 4.480 30 40 FIEB N#Cc1ccccc1OCc1nnc(-c2ccc(Br)s2)o1 18224331 XVYBCNOMCMZRNG-UHFFFAOYSA-N 362.208 4.011 30 40 FIEB Nn1c(-c2ccc(Cl)c(Cl)c2)cs/c1=N/N=C1CCCCC1 33584250 AGKBSRUELHBMFC-HMMYKYKNSA-N 355.294 4.458 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2cccc(F)c2)C[C@@H]1c1cccc(F)c1 97105001 WRIMBNAMJHSDDG-UYAOXDASSA-N 356.368 4.284 30 40 FIEB CSc1nc(Cl)c(/C=N/OC(=O)Nc2ccccc2)c(Cl)n1 2570670 ARJGFFPJDGNLGO-FRKPEAEDSA-N 357.222 4.088 30 40 FIEB CC(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)N1C#Cc1ccccc1 5613201 PIMUDSYWRAJVAD-XMMPIXPASA-N 365.436 4.419 30 40 FIEB CC1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2ccc(C)cc2C)NC(=O)N1 6046311 PUDUJVPZQCUEGZ-SFHVURJKSA-N 354.837 4.468 30 40 FIEB N#Cc1ccccc1S(=O)(=O)N(Cc1cccs1)Cc1cccs1 7689018 RBKZNPFINYYNAF-UHFFFAOYSA-N 374.512 4.072 30 40 FIEB CC(C)(C)OC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O 9484553 SGEQBDQUNUQEIO-WQRHYEAKSA-N 352.386 4.023 30 40 FIEB biogenic CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1nc(C2CC2)nc2ccccc12 10943519 GWVMNVRXYYBIHX-RBZFPXEDSA-N 368.506 4.042 30 40 FIEB Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2C#N)c1 12920599 HOEHPIICUPPGAF-UHFFFAOYSA-N 362.454 4.262 30 40 FIEB C=CCOc1ccc(C(=O)N2CCn3c(C)ccc3[C@@H]2C(C)C)cc1OC 13996306 GWTOFLONRSTXNE-NRFANRHFSA-N 368.477 4.223 30 40 FIEB CC(C)(C)OC(=O)N1CCC(c2nc3ccc(F)cc3cc2C#N)CC1 14000335 WDJICPQGDPTWAR-UHFFFAOYSA-N 355.413 4.360 30 40 FIEB C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)N1CCN(c3cccc(C)c3C)CC1)C2 72242863 SMWWPGGPWVRPFQ-AUSIDOKSSA-N 352.522 4.335 30 40 FIEB CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)NC(=O)CC 97978494 GRWDUUZCKNDXDD-YIVRLKKSSA-N 355.563 4.492 30 40 FIEB in-vitro N#Cc1c(Cc2cccc3ccccc23)nn(Cc2ccc(F)cc2)c1N 225842763 NDDWSOWDBRLBPU-UHFFFAOYSA-N 356.404 4.268 30 40 FIEB COc1ccc(N/N=C2/C=C(c3ccc4cc(OC)ccc4c3)OC2=O)cc1 408726897 WJIIRJSBGHHMDY-GFMRDNFCSA-N 374.396 4.223 30 40 FIEB FC(F)(F)C(F)(F)C(F)(F)N/N=C\c1ccc(Br)s1 409041400 VOTGCDGPVCZZAL-YPEHOIGNSA-N 373.091 4.225 30 40 FIEB CNc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] 5659466 LVCACONXNQXSBE-YCRREMRBSA-N 361.195 4.295 30 40 FIEB CCOc1cccc(-c2nnc(S)n2/N=C/C=C/c2ccccc2)c1 5791139 APSOZTSOPIMQGU-ADCWSOHQSA-N 350.447 4.180 30 40 FIEB O=c1oc2ccccc2n1CCNc1cccc(C#Cc2cccs2)c1 25628298 KBYMBGUBEYHQQC-UHFFFAOYSA-N 360.438 4.168 30 40 FIEB CCCCCOc1ccccc1CN1C(=O)/C(=N\O)c2cc(C)ccc21 39853912 WQYHSYVOGLWSBP-XDOYNYLZSA-N 352.434 4.289 30 40 FIEB CC(=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](N4CC4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 118917663 FNKWWXZAIWNFFS-BZBFZXGJSA-N 355.522 4.018 30 40 FIEB CC(=O)[C@H]1[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 118926107 FCBHFLRFWJSOTB-QPALRZKOSA-N 362.485 4.032 30 40 FIEB C=CCc1cc(/C=N/c2cccc(C(=O)OC)c2C)cc(OCC)c1O 408859056 VHIHMAPPDABMBM-LPYMAVHISA-N 353.418 4.365 30 40 FIEB Cc1nn(-c2ccccc2)c2sc(C(=O)O/N=C3/CCCCCN3)cc12 3263970 BULFLOPZPMMBPK-UHFFFAOYSA-N 368.462 4.029 30 40 FIEB O=C(O)c1cc(N/N=C/c2ccc(Br)cc2)ccc1Cl 4920334 PBRFOJWSDVHVOE-CAOOACKPSA-N 353.603 4.247 30 40 FIEB C[C@H]1CCc2c(sc(NC(=S)NC(=O)c3ccccc3F)c2C#N)C1 6824575 VWXOUZKNZOZSCL-JTQLQIEISA-N 373.478 4.010 30 40 FIEB C=CCNc1nc(Nc2ccc(C)cc2)c2cnn(-c3ccccc3)c2n1 17042466 UDHVLVDMIYIAQA-UHFFFAOYSA-N 356.433 4.465 30 40 FIEB CSc1nc(NCc2ccc(F)cc2)c(C#N)c(-c2ccccc2)n1 19820782 ZOBVGNKRFAAOFS-UHFFFAOYSA-N 350.422 4.488 30 40 FIEB O=C(/C=C\c1ccc2c(c1)OCO2)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 33376742 HINANDHGMPAUKT-KTAJNNJTSA-N 365.263 4.238 30 40 FIEB Cn1cc(/C=C2/SC(O)=N/C2=N\c2ccc(OC(F)(F)F)cc2)cn1 80332584 GFZBDNNNHAZSRR-WUXMJOGZSA-N 368.340 4.051 30 40 FIEB CCN(CCC#N)c1ccc(/C=C2/N=C(c3ccccc3)OC2=O)c(C)c1 96634880 OHALMTDYDBITGK-HMMYKYKNSA-N 359.429 4.080 30 40 FIEB Cc1cccc2c1N(CCCOc1ccc3ccccc3c1)C(=O)/C2=N\O 101101806 SZVDVKJXDQQDNJ-ATJXCDBQSA-N 360.413 4.142 30 40 FIEB C=CCN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccc(OCC)cc1 224599047 XXUQMAXEAQMHAE-UHFFFAOYSA-N 359.491 4.392 30 40 FIEB CC(C)(C)n1cnc(N=C(O)c2cccc(Br)c2Cl)n1 330841530 MOQWKWIWFJZBRK-UHFFFAOYSA-N 357.639 4.085 30 40 FIEB N#Cc1cnc2sc(-c3ncc(C(F)(F)F)cc3Cl)c(N)c2c1 1397360 FLLYQZCYVASDBW-UHFFFAOYSA-N 354.744 4.484 30 40 FIEB N#Cc1ccc(C(=O)Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1 4194485 WLDZCFPNZNNQNR-UHFFFAOYSA-N 373.393 4.040 30 40 FIEB O=[N+]([O-])c1ccc(/N=C(/c2cccc([N+](=O)[O-])c2)N2CCCCC2)cc1 4566489 WZSSTJGLNSDOIG-HNENSFHCSA-N 354.366 4.067 30 40 FIEB N#Cc1c(Cl)nc(N2CCCCC2)c2c1CCN(C1CCCCC1)C2 13739092 YQTCSTONLHLTJD-UHFFFAOYSA-N 358.917 4.288 30 40 FIEB COc1ccc2c(c1)C(=O)/C(=C\c1ccc(OCc3ccccn3)cc1)CO2 97152296 PNTZZRZBAARBAY-ATVHPVEESA-N 373.408 4.328 30 40 FIEB CN1C(=O)/C(=C/c2ccc(Cl)cc2)S/C1=N/c1cccc(C(=O)O)c1 100260761 JMTPMAALMKCZGK-LBVWADOBSA-N 372.833 4.272 30 40 FIEB C=CC/N=c1/scc(-c2cccc(Cl)c2)n1/N=C/c1ccccn1 103371488 YLLGULHXKKSHHJ-WUHDDMPHSA-N 354.866 4.234 30 40 FIEB O=S(O[C@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21)O[C@@H]1C[C@@H]2C[C@@H]1[C@H]1CCC[C@H]21 104117066 KJMQEAFQKVMQKB-SEMWAFIOSA-N 350.524 4.248 30 40 FIEB C=CCOc1ccc(C(=O)NCCCc2ccc(OC(C)C)cc2)cc1 219640626 FFSQAFKRWCSAEY-UHFFFAOYSA-N 353.462 4.401 30 40 FIEB C=CCSc1nnc(NC(=O)[C@H](C)Oc2ccccc2C(C)C)s1 223145818 QSGAKNCOASNHGL-LBPRGKRZSA-N 363.508 4.346 30 40 FIEB C=CCOc1ccc(NC(=S)NCCCN(C)c2ccccc2)cc1 225748777 WICSDLKWWCIXEV-UHFFFAOYSA-N 355.507 4.064 30 40 FIEB C#CCOC(=O)/C=C/c1cc(Cl)c(OCc2ccccc2C)c(OC)c1 226335343 QEXRLJBUMCDTLF-MDZDMXLPSA-N 370.832 4.426 30 40 FIEB N#C[C@H](C(=O)C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 1624661 COENYRMXXJLMLM-LBPRGKRZSA-N 367.619 4.462 30 40 FIEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 5511848 QRDBJQZESKHFMQ-FRKPEAEDSA-N 355.137 4.256 30 40 FIEB CCC[C@H]1S/C(=N\N=C\c2ccccc2)N(Cc2ccccc2)C1=O 5738740 GSWGTCMMIARSJA-FBDWHROQSA-N 351.475 4.321 30 40 FIEB N#Cc1cccc(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c1 32900621 WQGAYTUBUKICPU-UHFFFAOYSA-N 356.385 4.455 30 40 FIEB C#CCOc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccc(F)cc2)cc1 36365696 YXIFKTULFHZASL-SFHVURJKSA-N 361.376 4.147 30 40 FIEB Cc1ccc(S(=O)(=O)/N=C(\O)C2(c3ccc(F)cc3)CCC2)cc1C 48474154 VBTIDZNAUJSJQP-UHFFFAOYSA-N 361.438 4.210 30 40 FIEB Cn1nccc1/C=C1\C[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@@]2(C)C1=O 107913004 ANYSKZGJSBHZPP-TYSRPKIMSA-N 362.473 4.244 30 40 FIEB C/C(=N/O)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C 118917611 XRIBCZBNOYMDRN-JZBPNGHISA-N 358.482 4.425 30 40 FIEB C=CCSc1nnc(NC(=O)[C@@H](CC)Oc2ccc(Cl)cc2)s1 225207404 CEQNUHUCBGTYHH-GFCCVEGCSA-N 369.899 4.266 30 40 FIEB CCCCCCCCCCC1=C(C2=CC(=O)C=CC2=O)C(=O)C=CC1=O 230486728 JUBBSDQAAGWAIK-UHFFFAOYSA-N 354.446 4.156 30 40 FIEB C[C@@H](NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)C1CCC(F)(F)CC1 594247988 IUECPMYGAFLCSG-FZKQIMNGSA-N 361.436 4.449 30 40 FIEB Clc1nc(N/N=C/c2ccc(Br)cc2)c2ccccc2n1 5280404 AHKFJDJFCLGPOH-GIJQJNRQSA-N 361.630 4.492 30 40 FIEB O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc3oc(-c4cccnc4)nc3c2)c1 5513928 GTGPGBBGNBCBDD-SRZZPIQSSA-N 360.329 4.254 30 40 FIEB N#Cc1cccc(OCC(=O)Nc2ccc(OCc3ccccc3)cc2)c1 7651494 AWPNXUBVLKWBFT-UHFFFAOYSA-N 358.397 4.155 30 40 FIEB COc1ccc(C(=O)/C=C/c2ccccc2F)cc1CSCC(=O)O 12767554 IWSMJDZVBPOHJF-SOFGYWHQSA-N 360.406 4.048 30 40 FIEB Fc1ccc(/C(=N/NC(=S)NC2CCCCC2)c2ccccc2)cc1 17073500 VLCFCXIHMRQSBR-FCDQGJHFSA-N 355.482 4.375 30 40 FIEB C=CCc1ccc(O[C@@H](C)Cc2cc(OC)c(OC)c(OC)c2)c(OC)c1 49181103 KKYNVNUZEODDKF-HNNXBMFYSA-N 372.461 4.460 30 40 FIEB biogenic,in-vitro CC1=C(C(=O)OCC(C)C)[C@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1 96336836 SZBMQPGGLYNAAF-FQEVSTJZSA-N 367.489 4.490 30 40 FIEB CC(=O)[C@H]1[C@@H](N2CC2)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 96902377 AJTIMAJVSIBUNA-KVWWBZGASA-N 355.522 4.018 30 40 FIEB Cc1cccc(CSCCNC(=S)Nc2ccc(CC#N)cc2)c1 225337301 AWNRKFPPVGOKQW-UHFFFAOYSA-N 355.532 4.281 30 40 FIEB Cc1c(Cl)cnc(N2CCC(n3c(C)nc4ccccc43)CC2)c1C#N 619503013 UQRXQACEYDILTD-UHFFFAOYSA-N 365.868 4.415 30 40 FIEB Cc1ccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c(C)c1 947403 FIMHCQUZHJJDQU-CYBMUJFWSA-N 354.475 4.379 30 40 FIEB CC1=C(C)C[C@@H](C(=O)Nc2sc3c(c2C#N)CCCCC3)[C@@H](C(=O)O)C1 2793061 NKTRLUSSRPFGFM-CABCVRRESA-N 372.490 4.274 30 40 FIEB CC(C)(C)c1ccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2C#N)cc1 3262099 CDOSQBNPRORFSE-UHFFFAOYSA-N 370.836 4.305 30 40 FIEB COc1cc(OC)c(OC)cc1/C=C/C(=O)c1ccc(OC(F)F)cc1 6638940 KONRXFRTJNEMKL-RMKNXTFCSA-N 364.344 4.210 30 40 FIEB C=CCSc1nc2sc3c(c2c(=O)n1-c1cccc(OC)c1)CCC3 9965495 UKTCHNATDJLVEA-UHFFFAOYSA-N 370.499 4.223 30 40 FIEB C=CCOc1ccc(C(=O)Nc2nc(-c3ccc(OC)cc3)ns2)cc1 12063011 RBUKAYIISWKOPS-UHFFFAOYSA-N 367.430 4.031 30 40 FIEB Clc1ccc(CON/C=N\c2ncnc3sccc23)c(Cl)c1 13858377 ASMHUUPOUYGCHQ-UHFFFAOYSA-N 353.234 4.379 30 40 FIEB N#Cc1ccc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)c(F)c1 14258477 STCBPYAFYCECQZ-UHFFFAOYSA-N 359.360 4.202 30 40 FIEB OCCCCC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F 95686652 BEMDKZLEDMTSTG-UHFFFAOYSA-N 354.159 4.047 30 40 FIEB in-vitro O=C(Nc1ccccc1C/C(=N\O)c1ccc2c(c1)OCO2)c1ccccc1 104113246 UOTRTEACGCBOKY-LYBHJNIJSA-N 374.396 4.089 30 40 FIEB CC(=O)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)c(C#N)c1 225683923 BBAJNDFUVMITQX-UHFFFAOYSA-N 366.392 4.073 30 40 FIEB CSC1=N[C@@H](c2ccc(Br)cc2)C(C(C)=O)=C(C)N1C 408731508 NESCLLMBXQASQL-AWEZNQCLSA-N 353.285 4.018 30 40 FIEB CCc1nnc(S)n1/N=C/c1cc(C)n(-c2cccc(Cl)c2)c1C 408860170 WMWLSQXSXLQWOA-VXLYETTFSA-N 359.886 4.072 30 40 FIEB Cc1ccc(COc2cccc(/C=N/Nc3ccc([N+](=O)[O-])cn3)c2)cc1 408894023 IHADTCRBAIHOHD-WSDLNYQXSA-N 362.389 4.323 30 40 FIEB Cc1ccccc1N=C1NC(=O)/C(=C/c2ccc(N3CCCC3)cc2)S1 408960829 OMLPKGMUSMGODH-RGEXLXHISA-N 363.486 4.487 30 40 FIEB C[C@@H](C#N)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1083811065 RZTDDOKNKCISAH-BYPYZUCNSA-N 353.131 4.019 30 40 FIEB COc1cc(/C=C/C(=O)/C=C/c2ccc(N(C)C)cc2)cc(OC)c1OC 2222123 SNHJNGSEGCCYBY-QHKWOANTSA-N 367.445 4.074 30 40 FIEB biogenic CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1 2776330 MXAJUUBHNJNLPU-IBGZPJMESA-N 353.462 4.244 30 40 FIEB CO/N=C(/C[S@@](=O)Cc1ccc(Cl)cc1)c1ccc(Cl)cc1 4060200 CHGKZEIVGCVYFW-XGHSKXIFSA-N 356.274 4.293 30 40 FIEB C#CCN1C(=O)S/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C1=O 5826386 AMRGIBLFVAXCOQ-MOSHPQCFSA-N 372.449 4.359 30 40 FIEB CCOc1cccc(/C=C/C(=O)c2cccc(N3CCCC3=O)c2)c1OC 7350214 CWHBWGVCXXLLLX-OUKQBFOZSA-N 365.429 4.117 30 40 FIEB C=CCn1c(SCCOc2ccccc2)nnc1-c1ccccc1O 8391746 FDGNOKSTZHZMMF-UHFFFAOYSA-N 353.447 4.008 30 40 FIEB CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccccc1Br)C/C2=N\O 17885481 NOVLIIYOFSFRKJ-LWYMUBTISA-N 365.271 4.434 30 40 FIEB CC1(C)[C@@H]2CC[C@]1(C)[C@H](OCC[N+](C)(C)CC(=O)OC1CCCCC1)C2 100527240 KYWMVDGDOMBOTE-SFGWALBWSA-N 366.566 4.170 30 40 FIEB C=CCN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(OC)c(F)c1 225107111 PCECFUBEXFUSKY-UHFFFAOYSA-N 369.845 4.177 30 40 FIEB Cc1c(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2ccccc2n1C 409032134 IJRJHQFRMRIXKV-HOEBFWFUSA-N 355.257 4.201 30 40 FIEB C/C(=N\Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(O)cc1 409052671 VIAFLMIICOLSFC-YBFXNURJSA-N 354.391 4.260 30 40 FIEB Cc1ccc(C2=NN/C(=N\c3cccc(C)c3C)SC2)cc1[N+](=O)[O-] 5866605 IDOULMFIOFBJAG-UHFFFAOYSA-N 354.435 4.248 30 40 FIEB C[C@@H](C#N)Sc1[nH]c(=O)c(-c2nc(-c3ccccc3)cs2)cc1C#N 8942130 KSWHZASIMBUITG-NSHDSACASA-N 364.455 4.041 30 40 FIEB CC(C)(C)OC(=O)COc1ccc2c(c1)O/C(=C\c1cccs1)C2=O 9576061 XTCLXQBQEHZBOO-YBEGLDIGSA-N 358.415 4.085 30 40 FIEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CCCCC3)c2C#N)C1 14186416 FALPOVHTEQFUBT-CQSZACIVSA-N 359.539 4.195 30 40 FIEB Cc1cccc(/N=C2/NC(=O)/C(=C/c3ccc(N4CCCC4)o3)S2)c1C 15228761 GYZHJPFDPVEYIE-ATVHPVEESA-N 367.474 4.388 30 40 FIEB Cc1ccc(NC2=C(C(=O)c3ccccc3)[C@H](c3ccccc3)NC2=O)cc1 27020002 SGMHQZHNJOENOE-NRFANRHFSA-N 368.436 4.415 30 40 FIEB CCOc1cc(-c2c(C#N)c(N)nc3c2C[C@@H](C(C)(C)C)CC3)ccc1O 36202059 KOMFXVFBYYUAME-AWEZNQCLSA-N 365.477 4.458 30 40 FIEB COc1cc(OC)c2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O 58574688 SGMAAWPXBXZZQJ-CHHVJCJISA-N 361.191 4.083 30 40 FIEB CN1/C(=C\C(=O)CSC[C@@H](O)c2ccccc2)C(C)(C)c2ccccc21 65489702 DIVCPJBAABHJNV-TUNPGAEXSA-N 367.514 4.334 30 40 FIEB Cc1nn(-c2ccccc2)c(O)c1[C@@H](c1ccc(Cl)cc1)C(C#N)C#N 100698118 KNBMPINOJDUUSL-IBGZPJMESA-N 362.820 4.335 30 40 FIEB COc1ccc(/C=N/c2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 3211685 URDQBBAYOXCRDW-YDZHTSKRSA-N 364.367 4.301 30 40 FIEB Oc1c(Br)cc(/C=N/Nc2ccccc2)cc1Br 4280570 KTYPVLPVTXIKSO-LZYBPNLTSA-N 370.044 4.363 30 40 FIEB C=CCN1C[C@H](c2nc3ccccc3n2Cc2ccccc2Cl)CC1=O 4385980 SADPRRIEFPCQNX-MRXNPFEDSA-N 365.864 4.240 30 40 FIEB Cc1cc(C)nc(N/N=C/c2cn(-c3cccs3)nc2-c2ccccc2)n1 4863672 LAUHMKVTZWLQDQ-CIAFOILYSA-N 374.473 4.454 30 40 FIEB CC(C)OC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O 5858993 QQLBCWNPZZSQKP-NVMNQCDNSA-N 372.804 4.287 30 40 FIEB CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc(Cl)c1OC 7745488 VOTLAVXLSGZSTR-GQCTYLIASA-N 374.820 4.415 30 40 FIEB Cc1oc(NC(=O)COC(=O)c2c(C)c(C)c(C)c(C)c2C)c(C#N)c1C 11506895 ADCNCHDIJDKZKL-UHFFFAOYSA-N 368.433 4.106 30 40 FIEB C=CCOc1cccc(NC(=O)COc2ccc(Br)cc2)c1 14783736 XVCPFTLKQPEKKL-UHFFFAOYSA-N 362.223 4.031 30 40 FIEB COc1ccc(C(=O)[C@H](C)[n+]2cc(-c3ccc(C)cc3)n3c2CCC3)cc1 16995354 DXGJNTAUWALVNM-KRWDZBQOSA-N 361.465 4.150 30 40 FIEB CC[C@H]1S/C(=N\N=C\c2ccccc2)N(Cc2ccccc2C)C1=O 33855370 PSAJILIHHZSBRB-UAQCVPFCSA-N 351.475 4.239 30 40 FIEB N#C[C@@H](C(=O)c1csc(-c2ccco2)n1)c1ccc(C(F)(F)F)cn1 41552893 PZAOAJOZQHZUHF-SNVBAGLBSA-N 363.320 4.307 30 40 FIEB Cc1cc(C)cc(-n2c(C)cc(/C=N/Nc3ccc([N+](=O)[O-])cn3)c2C)c1 59426968 LJTGCDFNJBLDBF-SSDVNMTOSA-N 363.421 4.460 30 40 FIEB COC(=O)/C(=C\C(=O)c1ccc(C)cc1)Nc1ccc(Br)cc1 100274392 RUFMFEVAJGZGNF-LFIBNONCSA-N 374.234 4.109 30 40 FIEB O=C1C[C@H](c2cccc3ccccc23)C2=C(O1)C(=O)c1ccccc1C2=O 101587209 AEQZHJZYUYMTTR-GOSISDBHSA-N 354.361 4.204 30 40 FIEB C[C@H]1CCc2c(sc(NC(=O)c3ccc(Br)o3)c2C#N)C1 995699 MFDNYBUYJWOWAZ-QMMMGPOBSA-N 365.252 4.352 30 40 FIEB CCC[C@@H]1C/C(=N\O)c2cc(-c3ccc(Br)cc3)nnc2C1 5194086 WLPLAFLTSSMRAN-CRPJYIMTSA-N 360.255 4.447 30 40 FIEB N#CCN1C(=S)N/C(=N\c2cccc(C(F)(F)F)c2)C12CCCCC2 5552137 WSTIUDFXYGWOHR-UHFFFAOYSA-N 366.412 4.152 30 40 FIEB COc1ccc(C(=O)C[n+]2cc(-c3ccccc3)n3c2CCCCC3)cc1 5576420 FWWWUMRCYPIZSE-UHFFFAOYSA-N 361.465 4.061 30 40 FIEB CCOc1cc2c(cc1/C=C/C(=O)c1ccc(OC)c(OC)c1)O[C@@H](C)C2 7744537 ZSOMVXQCTZHIIV-OWNNVSBGSA-N 368.429 4.322 30 40 FIEB COc1cc(OC)c(OC)cc1/C=N/n1cc(-c2ccccc2)[nH]c1=S 9511901 GCNZXKHWMSPIGN-RGVLZGJSSA-N 369.446 4.121 30 40 FIEB C=CCOc1cccc(NC(=O)[C@@H](C)Sc2ccc(OC)c(OC)c2)c1 38755046 HVPSKUOAWAPESR-CQSZACIVSA-N 373.474 4.388 30 40 FIEB Cc1c(NCC2(c3ccc(F)cc3)CCOCC2)cc(C#N)cc1[N+](=O)[O-] 54981877 RLFAACQTAAAQBK-UHFFFAOYSA-N 369.396 4.074 30 40 FIEB CCOc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(Cl)cc1OC 408596433 ZBNFQBMZPAISHK-VXLYETTFSA-N 364.785 4.206 30 40 FIEB Cc1ccc(/C=C2\SC(=NC(=O)c3ccc(Cl)cc3)NC2=O)s1 409128593 SGGJHSXSYLBVBA-JYRVWZFOSA-N 362.863 4.110 30 40 FIEB C[C@]12CC[C@@](O)(C#CCl)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 2049238449 WEJOBCNWKXEZFL-PMVIMZBYSA-N 350.930 4.321 30 40 FIEB C#C[C@]1(OC(C)=O)CC[C@@H]2[C@H]3CCc4cc(OC)ccc4[C@H]3CC[C@@]21C 4026282 VUOXWYSHLSLTID-LILXYRQWSA-N 352.474 4.486 30 40 FIEB biogenic CCCC[C@H]1S/C(=N/N=C/c2ccco2)N(Cc2ccccc2)C1=O 4935682 XBKHCMRDLYHWMG-MHCYFFLUSA-N 355.463 4.304 30 40 FIEB C=CCOc1ccccc1/C=C1\S/C(=N\c2ccc(F)cc2)NC1=O 5376512 XZNJETPCWDKAQP-ATVHPVEESA-N 354.406 4.282 30 40 FIEB COc1ccc(/N=C/c2cc(C)cc([N+](=O)[O-])c2O)cc1Br 6825465 AIWFORLDNXZORU-CAOOACKPSA-N 365.183 4.131 30 40 FIEB COc1ccc(Cl)cc1-c1n[nH]c(SCc2ccccc2C#N)n1 7604778 WTRYHLHCELCOBP-UHFFFAOYSA-N 356.838 4.298 30 40 FIEB COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3onc(C)c32)cc1OC 13692719 RWWFMUHJLLCQPP-SFHVURJKSA-N 368.433 4.201 30 40 FIEB N#Cc1ccc(NCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 15122366 NRMWDHSJFRWBES-UHFFFAOYSA-N 353.731 4.281 30 40 FIEB CN(C(=O)CSC1=Nc2ccccc2CS1)C1(C#N)CCCCC1 16047277 ZXUGGVIACJTKKN-UHFFFAOYSA-N 359.520 4.339 30 40 FIEB CCOc1ccc(/C=C2/Oc3c(ccc(O)c3CN(CC)CC)C2=O)cc1 36065987 FNVWYYZXEGAYQK-DEDYPNTBSA-N 367.445 4.249 30 40 FIEB C#CCC(C#N)(C#N)c1nc(-c2ccccc2Cl)c2c(c1C#N)CCCC2 95117578 AHJGHGBZYYFOBT-UHFFFAOYSA-N 370.843 4.461 30 40 FIEB CC(C)n1cc(C/C(O)=N/c2nc([C@H]3CCCO3)n[nH]2)c2ccccc21 95478641 XBKLKHGWJPSOEJ-MRXNPFEDSA-N 353.426 4.023 30 40 FIEB CC(C)c1ccc(C#N)c(SCC(=O)Nc2cccc3ncccc23)n1 215674160 DVTFUXPSLYFNFU-UHFFFAOYSA-N 362.458 4.356 30 40 FIEB C=CCN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccc(OC)c(F)c1 225111533 NDXMCAAZBXKPPB-UHFFFAOYSA-N 363.454 4.141 30 40 FIEB Cc1ccc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)o1 245241807 PVLOREOWKJSJAM-UHFFFAOYSA-N 353.234 4.324 30 40 FIEB Cc1ccc(/N=C\c2ccc(O[C@@H](C)C(=O)O)cc2)c(Br)c1 408851578 LHZYTURELUQABI-ZTPSMGMTSA-N 362.223 4.360 30 40 FIEB CCCCN1C(=S)SC(C)(C)[C@@H]1/[N+]([O-])=C/c1c[nH]c2ccccc12 2267624 XEUFIGNGXWJDPF-IXGURIBZSA-N 361.536 4.336 30 40 FIEB CCCCCCOC(=O)C[N+](C)(C)CCO[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C 2291674 AJKXZFPSOIGUAC-NNMXDRDESA-N 368.582 4.418 30 40 FIEB N#Cc1cccc(NC(=O)CCCOc2cccc(Br)c2)c1 2621450 ISIMZIJWZIKLMR-UHFFFAOYSA-N 359.223 4.118 30 40 FIEB Cc1cccc2cc(C#N)c(SCC(=O)N3CCc4ccccc43)nc12 4849020 PSZNFESTWZRVNX-UHFFFAOYSA-N 359.454 4.096 30 40 FIEB N#C[C@@H](c1ccc2ccccc2n1)c1cnn(-c2ccccc2)c(=O)c1Cl 5395171 UZPYTDYGLHUBDT-MRXNPFEDSA-N 372.815 4.090 30 40 FIEB Cc1cc(C)cc(/N=C2\NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)S2)c1 18254837 PIHLZOMVYHJQJS-YBEGLDIGSA-N 353.403 4.103 30 40 FIEB CCN1C(=O)/C(=C\c2ccc(F)cc2)S/C1=N\c1ccc(C(=O)O)cc1 35657274 CDVKHEIIWOJPOR-BRQLWOPXSA-N 370.405 4.148 30 40 FIEB C=CCN(CCc1ccco1)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 95466572 ZMWYNIBWMYRHKY-UHFFFAOYSA-N 370.449 4.498 30 40 FIEB CC1(C)SC(=S)N(Cc2ccccc2)[C@@H]1/[N+]([O-])=C\c1ccccc1 100099197 BCSMBPWJOFUQOD-AQRZYSDFSA-N 356.516 4.254 30 40 FIEB CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@]21C 256444784 MTSLFKWJINJVBO-IBJQYKMBSA-N 358.478 4.019 30 40 FIEB CC[C@@H](C)Oc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1OC 408931059 GPFDEUKROMKWGB-BXDFRRGMSA-N 368.477 4.460 30 40 FIEB C=CCc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)ccc1OC 409036773 BJBRTEMKULQAAK-UYOCIXKTSA-N 358.257 4.138 30 40 FIEB Cc1cc(NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)cc(C#N)n1 557625798 LRERNINQGAAAKU-UHFFFAOYSA-N 360.392 4.265 30 40 FIEB CC(=O)Nc1ccc(/C=N/c2ccccc2C(=O)Nc2nccs2)cc1 649673 OUJYWRAWILLNPE-CIAFOILYSA-N 364.430 4.104 30 40 FIEB C=CCn1c(SCC(=O)c2ccc[nH]2)nnc1-c1ccc(Cl)cc1 3416726 PZJNUTOSQAVBEG-UHFFFAOYSA-N 358.854 4.088 30 40 FIEB CC(=O)[C@@H]1[C@@H](c2ccccc2Cl)C(C#N)(C#N)[C@H]2C=Cc3ccccc3N12 4733770 JEZMQZHXKNOZQC-NJDAHSKKSA-N 373.843 4.330 30 40 FIEB O/N=C1\CCCCCCCCCC[C@@H]1N1CCN(c2ccccn2)CC1 5605186 CFTAIAJNRDHVAS-LOKSUBMMSA-N 358.530 4.317 30 40 FIEB CC(=O)c1ccc(C[C@H]2S/C(=N/c3ccc(Cl)cc3)NC2=O)cc1 5830382 WRGNCISAXDCEQY-MRXNPFEDSA-N 358.850 4.004 30 40 FIEB Cc1nnc(S[C@@H](C)C(=O)Nc2cccc(C#N)c2)n1C1CCCCC1 5865728 PWXZURPMOZHLPP-ZDUSSCGKSA-N 369.494 4.083 30 40 FIEB C=CCn1c(S[C@@H](C)C(=O)c2ccc(C)cc2)nnc1-c1ccncc1 6907716 GBBBCLRGQCPUCK-HNNXBMFYSA-N 364.474 4.198 30 40 FIEB N#Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)cc1 7784568 GDDMRYBFGJXNEV-OAQYLSRUSA-N 369.380 4.058 30 40 FIEB C/C(=N\NS(=O)(=O)c1ccccc1)c1ccc(C2CCCCC2)cc1 13957778 LAGPPYALQPRDKT-LTGZKZEYSA-N 356.491 4.437 30 40 FIEB CCOc1cc(/C=N/NCc2ccc(OC)c(OC)c2)ccc1OC(C)C 20196479 FWZBVNHNBORCGG-OEAKJJBVSA-N 372.465 4.013 30 40 FIEB N#Cc1ccc(F)c(COC(=O)COc2ccc(Cl)cc2Cl)c1 22132576 SHIAILCNMLWXNJ-UHFFFAOYSA-N 354.164 4.126 30 40 FIEB CC(C)(C)OC(=O)N1CCC[C@H]1c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 170024691 XUULQXNFXUYKPE-KRWDZBQOSA-N 373.302 4.058 30 40 FIEB N=C([C@H](F)C(=N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 218165252 MQMJURQESQCDBS-PVQJCKRUSA-N 374.100 4.395 30 40 FIEB Cc1sc2ncnc(N3CCC(Oc4ccc(C#N)cc4)CC3)c2c1C 609143820 NLOLHTIEXJGXFS-UHFFFAOYSA-N 364.474 4.228 30 40 FIEB CNc1nc(N/N=C/c2ccc(C(C)C)cc2)nc(Nc2ccccc2)n1 4044898 SMOMMFWJXLHGNU-LPYMAVHISA-N 361.453 4.226 30 40 FIEB COc1cc(/C=C/C(=O)c2cccc(Br)c2)ccc1OCC#N 5127990 RRMDPPSPYPLQIT-FNORWQNLSA-N 372.218 4.256 30 40 FIEB N#Cc1ccc(NC(=O)CNc2cccc(C(F)(F)F)c2)cc1Cl 6249707 BFTDTOVSIIOSAQ-UHFFFAOYSA-N 353.731 4.281 30 40 FIEB C=CCc1ccc(Oc2cc(-n3nc(C)cc3C)nc(C)n2)c(OC)c1 12390114 HZYZBPBPDLLZCC-UHFFFAOYSA-N 350.422 4.117 30 40 FIEB CC(C)(C)C(=O)/N=C1\N=C2C=CC(Br)=CN2Cc2ccccc21 13302321 OHIRODNOBXOBPD-PGMHBOJBSA-N 372.266 4.026 30 40 FIEB CCCCC(=O)Nc1ccc(/N=C/c2cccc(OC)c2O)cc1OC 32115234 GWAGARAJTGCKHI-FYJGNVAPSA-N 356.422 4.289 30 40 FIEB O=C(/C=C/c1ccc(OCc2ccccn2)cc1)c1cccc([N+](=O)[O-])c1 40139530 BZEDZAZDQOATTR-FMIVXFBMSA-N 360.369 4.465 30 40 FIEB O=C1C=CC=C/C1=C/Nc1oc2ccccc2c1N/C=C1/C=CC=CC1=O 100798261 IKTDMSCNTGLMJM-VMNXYWKNSA-N 356.381 4.415 30 40 FIEB C#CCOc1ccc(CNC(=O)c2cc3cc(C(C)(C)C)ccc3[nH]2)cc1 1158448034 PCZISKANQDAVTQ-UHFFFAOYSA-N 360.457 4.407 30 40 FIEB C[C@@H]1C[C@@H](C)CN([C@H](C)CNc2oc(/C=C/c3ccccc3)nc2C#N)C1 1775965258 YHJXCQZSDIISHC-VPCPSFPESA-N 364.493 4.495 30 40 FIEB C=C(C)COc1ccc2cc(-c3cc(OC)ccc3OC)c(=O)oc2c1 4085104 WMYYJWYAUMLZFX-UHFFFAOYSA-N 352.386 4.432 30 40 FIEB biogenic CCCCOc1ccc2ccccc2c1/C=N/N1C(=O)CSC1=S 4699434 XNVHWANOCWRQBU-YBFXNURJSA-N 358.488 4.213 30 40 FIEB CCCCc1ccc(C[C@H]2S/C(=N/N=C/c3cccs3)NC2=O)cc1 6264734 HTXYFDZAXJLDDY-UOBPLZBXSA-N 371.531 4.255 30 40 FIEB Cc1onc(-c2ccccc2)c1-c1nnc(COc2ccccc2C#N)o1 8266253 HMHMOLKEZIHYIW-UHFFFAOYSA-N 358.357 4.151 30 40 FIEB O=C(C[n+]1cc(-c2ccccc2)n2c1CCC2)c1cccc2ccccc12 13758821 PFFVLNWBTRXXAM-UHFFFAOYSA-N 353.445 4.425 30 40 FIEB CCN1C(=O)/C(=C\C=C\c2ccco2)S/C1=N/c1ccc(OC)cc1 409221232 NBBOBNJBUAOOPS-IOVWDISJSA-N 354.431 4.468 30 40 FIEB C=CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1ccccc1 4285955 RWKCJBHZQMZSBG-UHFFFAOYSA-N 364.474 4.170 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(OC)c2)C[C@@H]1c1ccccc1 4919054 RBVOOERNTLYBRI-CTNGQTDRSA-N 350.414 4.015 30 40 FIEB CC(=O)O[C@@H]1C[C@H]2[C@@H]3CC[C@H](C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 5167163 SUCNAJORKZIPDF-MCQQAARZSA-N 372.505 4.265 30 40 FIEB COc1cc2c(cc1OC)/C(=C/C(=O)c1ccc(C(C)(C)C)cc1)NCC2 5265392 CNKCNXOWWPPQOG-RGEXLXHISA-N 365.473 4.371 30 40 FIEB CC(=O)/C(=N\Nc1ccc([N+](=O)[O-])cc1)Sc1cccc2cccnc12 12363964 XTAPGYGPGURCNW-DYTRJAOYSA-N 366.402 4.250 30 40 FIEB CCN1C=C(C(=O)/C=C/c2ccc(F)cc2)[C@H](c2ccc(C)cc2)NC1=O 12391501 HZAHVTFXFIKYQT-LNYGYFNRSA-N 364.420 4.387 30 40 FIEB C[C@@H]1C[C@@H](C)CN(Cc2c(O)ccc3c2O/C(=C\c2ccco2)C3=O)C1 20517678 APJIGOSLGVEYBG-KLAYFECZSA-N 353.418 4.079 30 40 FIEB biogenic COc1ccccc1CN/N=C/c1ccccc1OCc1ccc(C#N)cc1 20762715 DGXVGVKAWWEWLZ-WGOQTCKBSA-N 371.440 4.270 30 40 FIEB Cc1cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n[nH]1 95681664 ADTJLQBSULGRRY-UHFFFAOYSA-N 350.131 4.278 30 40 FIEB CCCCOc1ccc(-c2c(C#N)c(N)nc3c2CCCC3)cc1OC 107706343 PYIPYPPCXZZAJJ-UHFFFAOYSA-N 351.450 4.269 30 40 FIEB C=C1[C@@H](NC)CC[C@]23C[C@@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@H]13 118930063 KTASKRCJBXZGMH-UQHFXUHLSA-N 371.565 4.103 30 40 FIEB C=CCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1cc(C)cc(C)c1 222984935 UJPXBLXGVNXCCQ-FQEVSTJZSA-N 366.461 4.015 30 40 FIEB CCOc1ccccc1[C@@H]1C(C(=O)OC(C)C)=C(C)NC2=C1C(=O)CCC2 826281 YFCMXHBCFDWCEC-HXUWFJFHSA-N 369.461 4.005 30 40 FIEB C(=N/Nc1nc2ccccc2[nH]1)\c1c(-c2ccccc2)nc2ccccn12 5071919 RQEYFTLUOBWBPN-HYARGMPZSA-N 352.401 4.324 30 40 FIEB C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)Cc1ccc(Cl)cc1Cl 7266607 BNWPZXFKADLKAJ-LBPRGKRZSA-N 362.260 4.324 30 40 FIEB C(=N/OCc1ccccc1)\c1ccc(OCc2cn3ccccc3n2)cc1 10842161 QETCDJNJTPHPQS-OEAKJJBVSA-N 357.413 4.464 30 40 FIEB CCOc1cc2c(cc1OCC)-n1cccc1[C@@H](c1ccc(C#N)cc1)NC2 20528585 OPHMJADRAWNKTP-HSZRJFAPSA-N 373.456 4.339 30 40 FIEB Cc1c(/C=C(/CCC(=O)O)c2nc3ccccc3s2)cc(C#N)n1C 33578965 DYQDKIQGBGXWRS-LCYFTJDESA-N 351.431 4.220 30 40 FIEB O=C1N/C(=N\N=C\c2ccc(Cl)cc2Cl)S[C@H]1c1ccccc1 59474392 LZCFOYVSOHUEHE-FRSZACSASA-N 364.257 4.288 30 40 FIEB O=C1/C(=N/c2ccc(F)c(Cl)c2)c2ccccc2N1CN1CCCCC1 100286921 SHMRTHWVJIGPCV-FCDQGJHFSA-N 371.843 4.390 30 40 FIEB C=CCNC(=O)c1ccc(OC)c(COc2ccc(C(C)(C)C)cc2)c1 224178013 VIZCTFUGHBSPMD-UHFFFAOYSA-N 353.462 4.488 30 40 FIEB Cc1ccc(C=Nn2c(C(C)C)nc3ccc(Br)cc3c2=O)o1 409288984 KCKJPPNTBKYPHS-UHFFFAOYSA-N 374.238 4.066 30 40 FIEB CCc1ccc(/C=C2\S/C(=N\c3ccc(OC)cc3OC)NC2=O)cc1 5551593 OKBNWTAOJCOQTF-WQRHYEAKSA-N 368.458 4.158 30 40 FIEB COc1ccc(-c2nc(COC(=O)c3cccc(C#N)c3)cs2)cc1 7395869 PCSZHBZRFKPEJD-UHFFFAOYSA-N 350.399 4.047 30 40 FIEB O=C1C[C@H](/C=C/c2ccccc2)CC2=C1[C@H](c1ccccc1)n1ncnc1N2 9190048 UNLYGRGVEDSGDH-KAKVHWSPSA-N 368.440 4.240 30 40 FIEB O=C(O)CSc1ccc(C(=O)/C=C/c2ccc(F)c(F)c2)cc1F 12934775 FCGFMSSHDSFYRM-GORDUTHDSA-N 352.333 4.177 30 40 FIEB N#CCOc1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1 23150692 DEMCVPVWRIMXQB-UHFFFAOYSA-N 365.614 4.257 30 40 FIEB N#Cc1cccc(NC(=O)CSCc2csc(-c3ccco3)n2)c1 31420339 RTKLZKHTWRGWGL-UHFFFAOYSA-N 355.444 4.147 30 40 FIEB CCOc1ccc(N(CCC#N)C(=O)COc2cccc(Cl)c2)cc1 31676410 OCCSIPWHQIOTOE-UHFFFAOYSA-N 358.825 4.064 30 40 FIEB C#CCOC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 226319740 HZUPCNDFWBRCSI-UHFFFAOYSA-N 365.212 4.371 30 40 FIEB C=CCOC(=O)c1cc(-c2ccccn2)nc2ccc(Br)cc12 226360004 STZXEIVLZIJLBF-UHFFFAOYSA-N 369.218 4.402 30 40 FIEB C[C@H](NC(=O)c1ccc(/N=C2\C(=O)Nc3ccccc32)cc1)c1ccccc1 226762331 XNXMDOVLSIVNNV-HNNXBMFYSA-N 369.424 4.251 30 40 FIEB O=C1CCCC2=C1[C@@H](c1ccc([N+](=O)[O-])cc1)CC(=O)N2c1ccccc1 2250431 URSPPJNPWAPXDA-QGZVFWFLSA-N 362.385 4.122 30 40 FIEB N#Cc1cnn2c(C(F)(F)C(F)(F)F)cc(-c3ccc(F)cc3)nc12 2743761 TVRCUQDRGDMMDA-UHFFFAOYSA-N 356.229 4.061 30 40 FIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccccc2)cc1 9012492 LHVQAUUYSKOHFW-HXUWFJFHSA-N 370.408 4.173 30 40 FIEB N#Cc1cccc(COC(=O)COc2ccc3oc4c(c3c2)CCCC4)c1 10839644 FJYPFLVEFCCMEE-UHFFFAOYSA-N 361.397 4.305 30 40 FIEB Cc1ccc2c(N)c(C(=O)Nc3sc4c(c3C#N)CCCC4)sc2n1 12462543 DKPBECBPZQVPMC-UHFFFAOYSA-N 368.487 4.251 30 40 FIEB C=CCSc1ccccc1C(=O)NCc1nc(-c2ccc(C)cc2)no1 13533663 KILBBFKTKGVZRJ-UHFFFAOYSA-N 365.458 4.253 30 40 FIEB C=CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1Cl 19087736 OFULCNJVSHETTM-KRWDZBQOSA-N 353.805 4.104 30 40 FIEB C=CCOc1ccc(/C=N\OCC(=O)Nc2ccc(C)cc2)cc1Cl 35127395 MLNHKXBAJRKDJK-MTJSOVHGSA-N 358.825 4.202 30 40 FIEB N#Cc1c(NC(=O)CC2(C(=O)O)CCCC2)sc2c1CCCCCC2 71817320 TZTOGQKBLFQSGP-UHFFFAOYSA-N 360.479 4.252 30 40 FIEB CCCCCCOC(=O)C[N+](C)(C)CCO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 100733333 AJKXZFPSOIGUAC-XQBPLPMBSA-N 368.582 4.418 30 40 FIEB C#CCOc1ccccc1CN1[C@@H]2CC[C@@H]1CC(O)(c1ccc(C)cc1)C2 100765797 KBYSACXUAHUKAW-FGZHOGPDSA-N 361.485 4.022 30 40 FIEB CC1(C)OB(c2cnc3c(ccn3[Si](C)(C)C(C)(C)C)c2)OC1(C)C 200998244 NYZXDNFHCPNQOU-UHFFFAOYSA-N 358.367 4.189 30 40 FIEB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OC(C)=O)c(C#N)c1 225848962 RCAHCXGHJHXAFB-FQEVSTJZSA-N 360.454 4.188 30 40 FIEB CC/N=C1/S/C(=C/c2cc(C)n(-c3ccc(O)cc3)c2C)C(=O)N1CC 408928882 FQNNTIIMRFDBIV-LLPDMMGZSA-N 369.490 4.112 30 40 FIEB N#C[C@]1(c2ccccc2)CCc2c(sc3ncnc(N4CCCC4)c23)C1 1069911 ZURIBAMFMJIGCE-NRFANRHFSA-N 360.486 4.242 30 40 FIEB C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 3881629 AIBWHDYZKNWYQQ-KOORYGTMSA-N 354.490 4.453 30 40 FIEB biogenic COC(=O)[C@H](Cc1c[nH]c2ccccc12)/N=C/c1c(O)ccc2ccccc12 5511158 MDNMFTYLHUGKLN-NFCNUSAFSA-N 372.424 4.230 30 40 FIEB CC(C)(C)CC(C)(C)c1ccc(O)c(CN2CCN(CCC#N)CC2)c1 19313386 AZYJIWFZZBHADH-UHFFFAOYSA-N 357.542 4.137 30 40 FIEB CCc1ccc(N/N=C2\C(=O)N(C3CSC3)c3ccc(Cl)cc32)cc1 223738955 WCLFLWVRWDLKOT-PYCFMQQDSA-N 371.893 4.181 30 40 FIEB CCOc1cc(-c2c(-c3ccccc3)c(C)[nH]c(=N)c2C#N)ccc1OC 408981718 WIZCQXHEGPFUBX-UHFFFAOYSA-N 359.429 4.416 30 40 FIEB Cc1ccc([C@H](CNc2oc(-c3ccco3)nc2C#N)N2CCCC2)cc1 1775975964 HMCALAZGCCWJLZ-SFHVURJKSA-N 362.433 4.364 30 40 FIEB Cc1c(Cc2ccc3c(c2)OCO3)sc(NC(=O)C(C)(C)C)c1C#N 4087324 GIPJTEVQQWVOHM-UHFFFAOYSA-N 356.447 4.232 30 40 FIEB CC(=O)Nc1sc(N/N=C\c2ccccc2F)nc1-c1cccs1 5034686 QRXLHKFKGROOLR-NVMNQCDNSA-N 360.439 4.415 30 40 FIEB C=CCn1c(S[C@@H](C)C#N)nc2sc(-c3ccccc3)cc2c1=O 5212707 WZFIHOFUNKXTNB-LBPRGKRZSA-N 353.472 4.315 30 40 FIEB COc1ccc(/C=C2\Oc3cc(OC(=O)C(C)(C)C)ccc3C2=O)cc1 9305595 MFABMUPEJXHTJP-WQRHYEAKSA-N 352.386 4.263 30 40 FIEB biogenic C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)Cc1ccc(O)cc1 56763085 LBQVQFBRIJYTAI-CYBMUJFWSA-N 364.898 4.436 30 40 FIEB C#CCN(C[C@H]1CCCO1)C(=O)Nc1ccccc1SC1CCCC1 72268183 LBAAPUAVDGQXRM-MRXNPFEDSA-N 358.507 4.367 30 40 FIEB C#C[C@]1(O)CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CCC5(OCCO5)[C@@]4(C)CC[C@H]32)C1 253617358 VCQVEQNCPAVVLX-PQWGXEMDSA-N 358.522 4.137 30 40 FIEB N#Cc1ccc(-c2csc(NC(=O)COc3ccc(Cl)cc3)n2)cc1 4075760 IZVZUFGTXVLKCL-UHFFFAOYSA-N 369.833 4.353 30 40 FIEB N#Cc1c(SCCN2CCCC2)nc(N2CCCCC2)c2c1CCCC2 6759765 ZZFVBHNGFHIDOJ-UHFFFAOYSA-N 370.566 4.010 30 40 FIEB COc1ccc(OC)c([C@H]2C3=C(CC(C)(C)CC3=O)Nc3onc(C)c32)c1 13688959 DCBSFBPZJBMBMF-GOSISDBHSA-N 368.433 4.201 30 40 FIEB O=C1CC(c2ccccc2)CC(=O)C1=CNc1ccc(Cl)cc1[N+](=O)[O-] 103406273 JXFKDIAERLHAHK-UHFFFAOYSA-N 370.792 4.260 30 40 FIEB COC(=O)c1c(C)[nH]c(/C=N/c2ccc(C(=O)O)cc2)c1-c1ccccc1 2267733 QHISRAGSHMQNJR-WSDLNYQXSA-N 362.385 4.226 30 40 FIEB C=CCn1ccc2c(OCC(=O)c3ccc(Cl)cc3)cccc2c1=O 4584274 ABKXNJUICNLMIA-UHFFFAOYSA-N 353.805 4.103 30 40 FIEB Cc1ccc(S(=O)(=O)NN=C2[C@@H](C)CC(C(C)(C)C)C[C@@H]2C)cc1 6005845 FGSJBNDKHPRTBI-KSCSMHSMSA-N 350.528 4.358 30 40 FIEB CCC/N=C(/S)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20097974 XSWSQUOKLFIBEL-UHFFFAOYSA-N 353.535 4.089 30 40 FIEB CCOc1ccc2ccccc2c1/C=N/NCc1ccc(OC)c(OC)c1 20196068 UHQCEBBZWWJEHV-BUVRLJJBSA-N 364.445 4.379 30 40 FIEB CCCCc1nnc(/N=C(\O)c2c[nH]c(=S)n2-c2ccccc2)s1 23363693 NOOZUCSQYZAHCL-UHFFFAOYSA-N 359.480 4.365 30 40 FIEB N#Cc1c(NC(=O)COc2ccc(F)cc2F)sc2c1CCCCC2 31712731 WQPKHGCCRMDHNJ-UHFFFAOYSA-N 362.401 4.184 30 40 FIEB C=CCOc1ccc(N(CC=C)S(=O)(=O)c2ccc(OCC)cc2)cc1 224607892 FWSIDDWBSYIOFE-UHFFFAOYSA-N 373.474 4.031 30 40 FIEB C=CCOc1cccc(NC(=S)N[C@@H](C)COc2ccc(OC)cc2)c1 225268024 GGUFPNFPISKHTM-HNNXBMFYSA-N 372.490 4.014 30 40 FIEB COc1cc(N2CCCC2)ccc1/C=N/Nc1ccc(C(F)(F)F)cn1 409109118 YACIJKQNZSUZKV-FOKLQQMPSA-N 364.371 4.155 30 40 FIEB C=C1CC[C@H]2[C@@](C)(CCC[C@@]2(C)C(=O)O)[C@@H]1CCC1=C[C@@H](OC)OC1=O 1077995418 OREKSZUASHFFQA-DWXZBXMZSA-N 362.466 4.086 30 40 FIEB biogenic C=CCn1c(SCC(=O)Nc2ccccc2CC)nnc1-c1ccco1 2264110 NPFBAAICUKVRKM-UHFFFAOYSA-N 368.462 4.017 30 40 FIEB Cc1ccc([C@H]2C3=C(C[C@H](c4ccc(F)cc4)CC3=O)Nc3ncnn32)cc1 4814169 FHWOGXHJJVRSGD-KKSFZXQISA-N 374.419 4.141 30 40 FIEB CCOc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(N(C)C)cc3)S2)cc1 5214569 KEYMTANTBKGDKE-QGOAFFKASA-N 367.474 4.043 30 40 FIEB CC/C(=N\NC(=S)NC1CCCCC1)c1ccc(OC(F)F)cc1 5516990 JYFPUPBLNGBJSY-RCCKNPSSSA-N 355.454 4.199 30 40 FIEB C=CCNc1nc(C(=O)OCc2csc(-c3ccccc3)n2)cs1 6904956 XLBIKKADRNRQAH-UHFFFAOYSA-N 357.460 4.222 30 40 FIEB Cc1ccc(CN(C)CC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 8705545 APMOXSTZPXWBMF-UHFFFAOYSA-N 367.518 4.268 30 40 FIEB C=CCOc1ccccc1CNc1n[nH]c2nc(C)cc(C(F)(F)F)c12 12115918 MEMWVHCGWIIAMR-UHFFFAOYSA-N 362.355 4.462 30 40 FIEB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@](O)(C#CCl)CC[C@]34C)[C@@H]1CC[C@@H]2O 13398934 WEJOBCNWKXEZFL-NDUYDNQLSA-N 350.930 4.321 30 40 FIEB C=C(C)COc1cc([C@H]2Nc3ccccc3C(=O)N2C2CC2)ccc1OC 60791227 SZWCPGSRFRKMKC-NRFANRHFSA-N 364.445 4.379 30 40 FIEB C[C@H]1CC(C)(C)N(C)c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cn3)cc21 208205637 LZVQQTXHSQMNND-PUFAJPFRSA-N 353.426 4.158 30 40 FIEB Cc1ccc(/N=C\c2ccc(OCC(=O)NCc3ccco3)cc2)cc1C 408810694 MQUOZEXFCUHZBK-QRVIBDJDSA-N 362.429 4.342 30 40 FIEB CC(=O)[C@]1(O)CC[C@@H]2[C@H]3C=C(Cl)C4=CC(=O)[C@H]5C[C@H]5[C@@]4(C)[C@@H]3CC[C@]21C 584578778 DUSHUSLJJMDGTE-IKAQJGLJSA-N 374.908 4.037 30 40 FIEB O=C(OCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)C(F)(F)F 1083807977 MWBZIIHUUJWJQU-UHFFFAOYSA-N 360.094 4.155 30 40 FIEB N#Cc1c(NC(=O)CSc2nc3ccccc3[nH]2)sc2c1CCCC2 856943 BPXMTPRPTLGVEY-UHFFFAOYSA-N 368.487 4.106 30 40 FIEB Cc1cc(C)c(C#N)c(S[C@H](C(=O)NC(C)(C)C)c2ccccc2)n1 1042451 APNBLXDNDSYERW-KRWDZBQOSA-N 353.491 4.318 30 40 FIEB C[C@H]1CCC[C@H](C)N1C[C@H](O)COc1ccc(/N=C/c2ccccc2)cc1 3896351 DCAKOVFISXHORD-GQXKJJIJSA-N 366.505 4.440 30 40 FIEB N#Cc1ccc(CSc2ncnc3c2cnn3Cc2ccccc2)cc1 4295206 XSEDIJKYOGAYTG-UHFFFAOYSA-N 357.442 4.039 30 40 FIEB C[C@@H](Nc1cc(C#N)c(C#N)cc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 4593563 SSCRIPTVQFSGHN-JSFDKUKPSA-N 350.422 4.355 30 40 FIEB C/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)c(Cl)c1 5363358 YMRLNSJPSFPTHU-WOJGMQOQSA-N 357.262 4.004 30 40 FIEB CCOc1cc(/C=C/C(=O)c2ccc(O)c(OC)c2)ccc1OC(F)F 8322794 IDECVCPSMSAVTO-QPJJXVBHSA-N 364.344 4.297 30 40 FIEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN3CCCC3)c2C#N)C1 8471158 QWKGKTHRRWUQLH-AWEZNQCLSA-N 359.539 4.195 30 40 FIEB CCCC[C@@H]1S/C(=N\N=C\c2ccco2)N(Cc2ccc(F)cc2)C1=O 36093502 IDNWSNCVPCUSGH-ILZOBUCISA-N 373.453 4.443 30 40 FIEB FC(F)(F)c1ccccc1N/N=C/c1ccc(N2CCOCC2)s1 40161287 NKHFFPVQOILERE-RGVLZGJSSA-N 355.385 4.050 30 40 FIEB C[C@@H](C(=O)Nc1ccccc1SC[C@H](C)C#N)n1cnc2ccccc21 65453229 RTEQREYDHQIURS-CABCVRRESA-N 364.474 4.488 30 40 FIEB CC1(C)CC(=O)C(C(=O)/C=C\Nc2cc(Cl)ccc2Cl)C(=O)C1 100098423 BPYPJNFCKILAAX-WAYWQWQTSA-N 354.233 4.063 30 40 FIEB O=C1C=CC=C/C1=C/Nc1c(N/C=C2\C=CC=CC2=O)oc2ccccc12 100798263 IKTDMSCNTGLMJM-VCFJNTAESA-N 356.381 4.415 30 40 FIEB Cc1ccccc1NC(=O)COc1ccccc1/C=N/c1c(C)n[nH]c1C 101549796 QBXUHAFUZCTSAI-WSDLNYQXSA-N 362.433 4.103 30 40 FIEB N#CCn1cc(/C=C2\S/C(=N\c3ccccc3)NC2=O)c2ccccc21 107907145 HWZIYPWVKXZQSZ-PDGQHHTCSA-N 358.426 4.056 30 40 FIEB N#Cc1c(N)nc(SCc2cccc(F)c2)nc1Cc1cccc(F)c1 223677388 ZKMAJMUGHGAQAB-UHFFFAOYSA-N 368.412 4.092 30 40 FIEB C=CCN1C(=O)S/C(=C\c2cc(Br)cc(Cl)c2O)C1=O 409108019 UKEAZUKBOVHDHA-YHYXMXQVSA-N 374.643 4.030 30 40 FIEB N#Cc1cn(Cc2ccccc2)c2cc(N3CCCCC3)c(F)cc2c1=O 1775967097 FKPVUECCFMVMHQ-UHFFFAOYSA-N 361.420 4.051 30 40 FIEB CCCc1cc(-n2nnc3ccccc32)n2c(nc3ccccc32)c1C#N 1104286 SQRHVYFQGIELOR-UHFFFAOYSA-N 352.401 4.046 30 40 FIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCc4ccc(OC)cc4)[C@H]3C[C@H]12 4041533 ITHDPGAXOGNXMB-XARADAHVSA-N 369.505 4.099 30 40 FIEB biogenic O=C(COc1ccc(Cl)cc1)O/N=C(\c1ccccc1)c1ccncc1 4472703 XGGAYAIYDNAIIP-BSYVCWPDSA-N 366.804 4.110 30 40 FIEB COc1ccc(/C=C2\S/C(=N\Cc3cc(C)cc(C)c3)NC2=O)cc1 4536732 KFNYNYRBXQZMQX-WQRHYEAKSA-N 352.459 4.072 30 40 FIEB CCc1ccc(/N=C2/NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)S2)cc1 5551366 PJULTKCRPBVLEV-WJDWOHSUSA-N 353.403 4.049 30 40 FIEB CC1(C)CS/C(=N\CCc2ccccc2)N1C(=O)/C=C/c1ccco1 7061223 GIBQIZVKUMHEPX-VGNAVFDMSA-N 354.475 4.246 30 40 FIEB C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cccc(C)c3)cc21 8959615 WXBFKXDGXRGSCU-UHFFFAOYSA-N 364.445 4.185 30 40 FIEB Cc1ccc(NC(=O)NCCNc2nc3cc(C)cc(C)c3cc2C#N)cc1 35292348 RGWVVDGMVUKLLQ-UHFFFAOYSA-N 373.460 4.265 30 40 FIEB O=C(/C(=N/N=C/c1ccc(O)c([N+](=O)[O-])c1)c1ccccc1)c1ccccc1 35610661 PBZNGJYVUFNWDN-DAEAJKMYSA-N 373.368 4.007 30 40 FIEB O=C(/C=C(\Nc1ccc(Br)cc1)c1cccnc1)C(F)(F)F 408751413 OALXZNPFWAVIMX-JYRVWZFOSA-N 371.156 4.429 30 40 FIEB Oc1ccc(/C=N/c2ccc3ncccc3c2)cc1I 408905181 UTAZGYFODQLUBI-VXLYETTFSA-N 374.181 4.296 30 40 FIEB C=CCC(C(=O)OCCN(CC)CC)(c1ccccc1)c1ccccc1 1656324 BAOIRCZGQHYVCJ-UHFFFAOYSA-N 351.490 4.434 30 40 FIEB CC(C)[C@@H]1CC[C@@H](C)C2=C1N[C@@H](c1ccccc1)C(C#N)(C#N)C2(C#N)C#N 4811427 CNUAJBSOIJZAHJ-MMOPVJDHSA-N 369.472 4.354 30 40 FIEB CO/N=C1/C[C@@H](C(C)C)Cc2nnc(-c3ccc(Br)cc3)cc21 5189419 JGUIBMGZBORCCF-ZZUBKFDBSA-N 374.282 4.475 30 40 FIEB N#Cc1ccsc1NC(=O)CCSc1ccc(C(F)(F)F)cn1 12631632 HMYVWCCWJPKWJZ-UHFFFAOYSA-N 357.382 4.154 30 40 FIEB COc1ccc(F)cc1-c1csc(NC(=O)c2ccc(C#N)cc2)n1 40111285 UYEMCBWSBSSRJO-UHFFFAOYSA-N 353.378 4.082 30 40 FIEB C=CCSc1nnc(NC(=O)CCCOc2ccc(Cl)cc2)s1 224521646 ZIFQURINNIYBEL-UHFFFAOYSA-N 369.899 4.267 30 40 FIEB Cc1ccccc1OCc1nc2ccccc2c(=O)n1/N=C/c1ccccc1 1307007 XQQPTGUQLBFOGP-BUVRLJJBSA-N 369.424 4.166 30 40 FIEB C(#CCN1CCCCC1)COCCOC(c1ccccc1)c1ccccc1 2312459 OAZGSDJXTBATBS-UHFFFAOYSA-N 363.501 4.299 30 40 FIEB COc1cc(-c2cc(C)c(C#N)c3nc4ccccc4n23)cc(OC)c1OC 3282541 VPNIIAIYBWBECR-UHFFFAOYSA-N 373.412 4.360 30 40 FIEB CN1CCc2c(C#N)c(NC3CCCCC3)nc(NC3CCCCC3)c2C1 6130109 VWAWNGTYXHOHFZ-UHFFFAOYSA-N 367.541 4.430 30 40 FIEB CCN(C(=O)COc1ccccc1C#N)c1nc2cc(Cl)ccc2s1 6841001 UHXDAHGOWFMWMI-UHFFFAOYSA-N 371.849 4.253 30 40 FIEB C#CCOc1ccc(OC)cc1/C=N/NCc1c(Cl)cccc1Cl 9195044 QLUMIQJQOYDNRK-SRZZPIQSSA-N 363.244 4.138 30 40 FIEB Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C(=O)O)c2ccccc2)n1 22866725 RPOJBRMBSZCPCZ-ZDUSSCGKSA-N 352.337 4.199 30 40 FIEB Cc1ccc(N(CCC#N)C(=O)CN2CCC[C@@H]2c2ccsc2)cc1C 48309244 CFVGIFAZOANBOI-HXUWFJFHSA-N 367.518 4.449 30 40 FIEB CN1CCc2nc(Cl)c(C#N)c(-c3cccc(Br)c3)c2C1 96511133 BMEPDHJRBMELRH-UHFFFAOYSA-N 362.658 4.024 30 40 FIEB CC/N=C1\S/C(=C\c2ccc(-c3ccc(C#N)cc3)o2)C(=O)N1CC 101632491 NFYKKMGQIUIFRR-WQZDFCHPSA-N 351.431 4.130 30 40 FIEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C/N1CCCC1)C2=O 118913839 BLPWZFDTYUVONX-AZWRHVTBSA-N 369.549 4.469 30 40 FIEB C=CCOc1ccc(NC(=S)N[C@H](C)COc2ccc(C)cc2)cc1 225642952 GZOMESKXWBUBHQ-MRXNPFEDSA-N 356.491 4.314 30 40 FIEB CCCCCCCCCCCNC(=O)c1c(O)[nH]c2ccccc2c1=O 2250369 FXRLLEBODYTPTK-UHFFFAOYSA-N 358.482 4.494 30 40 FIEB O=c1c2c(ncn1/N=C\c1ccccc1)-c1ccccc1CC21CCCC1 2278718 FGVXCRFWZONYDD-MYYYXRDXSA-N 355.441 4.160 30 40 FIEB CC(=O)n1nc(-c2ccccc2)cc1C(F)(F)C(F)(F)C(F)(F)F 2379338 YMJHQSAQIUGRRF-UHFFFAOYSA-N 354.225 4.500 30 40 FIEB O=C(O)c1cc(N/N=C/c2cccc(Br)c2)ccc1Cl 4922399 DJQSKPRHBDPLGB-CAOOACKPSA-N 353.603 4.247 30 40 FIEB C#CCOc1ccc(C[C@H]2SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 6295382 NJTFCZLQANQFQA-QGZVFWFLSA-N 371.845 4.163 30 40 FIEB CCc1ccccc1NC(=O)C(=O)[C@@H](C#N)c1c(Cl)cccc1Cl 6371722 MWQKCTYWMYREPV-LBPRGKRZSA-N 361.228 4.371 30 40 FIEB Cc1ccc(OCc2nc(CC(=O)Nc3ccc(C#N)cc3)cs2)cc1 12599369 KJVVXDHMCAPZND-UHFFFAOYSA-N 363.442 4.083 30 40 FIEB O=C(/N=C1\SCC(=O)N1c1ccc(Cl)cc1)c1ccc(Cl)cc1 13590597 UAEFJQYIQMJHKM-MNDPQUGUSA-N 365.241 4.270 30 40 FIEB COc1ccc(OC)c(/C=N/c2nc3c(s2)Cc2cc(OC)ccc2-3)c1 18057847 FDCPANQRVFWJLQ-SRZZPIQSSA-N 366.442 4.491 30 40 FIEB N#Cc1ccc(Sc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)nc1 40050785 RQQWAOODRBNYHJ-QGZVFWFLSA-N 362.458 4.147 30 40 FIEB N#Cc1c(C2CCCCC2)nn(Cc2ccc(Br)cc2)c1N 225843284 PHBFPKMZJRJPID-UHFFFAOYSA-N 359.271 4.195 30 40 FIEB COc1ccc(C)cc1-n1c(SCCCC#N)nc2ccccc2c1=O 5013487 ZQZDQMNDRMITBZ-UHFFFAOYSA-N 365.458 4.099 30 40 FIEB CC(C)c1cc(=O)oc2cc(Oc3ccc([N+](=O)[O-])cc3C#N)ccc12 7984184 PMODTKYFUKKEGG-UHFFFAOYSA-N 350.330 4.489 30 40 FIEB C=CCn1c(CC)nnc1SCC(=O)Nc1cccc(Cl)c1Cl 9699252 JHBWQCWVZFWZLS-UHFFFAOYSA-N 371.293 4.064 30 40 FIEB C#CCOc1ccc(/C=C2\C(=O)N(c3ccc(C)cc3)N=C2C)cc1OCC 23410867 LXBQPJSGDMFAHA-ZHZULCJRSA-N 374.440 4.212 30 40 FIEB CN(Cc1ccsc1)C(=O)CON=C1c2ccccc2-c2ccccc21 61529358 UNXQPLOCFQRKIL-UHFFFAOYSA-N 362.454 4.156 30 40 FIEB N#C[C@H](C(=O)c1cccc2[nH]ncc12)c1nc2cc(Cl)ccc2s1 71810551 KZWDULUXZICKHP-LLVKDONJSA-N 352.806 4.316 30 40 FIEB O=C(/N=C1/N=C2C=CC(Cl)=CN2Cc2ccccc21)c1ccc(F)cc1 103436849 YCXQIGMBSONDKR-LYBHJNIJSA-N 365.795 4.277 30 40 FIEB O=C(O)/C(Cl)=C(/Cl)C=Nc1ccc(Oc2ccc(F)cc2)nc1 255004073 MEGFHEOSAVXXKS-UPOZCEBXSA-N 355.152 4.489 30 40 FIEB CCN(CC)c1ccc(/C=N/c2cccc(-c3n[nH]c(=N)s3)c2)cc1 408718456 YMQHCUQRIQTYBR-FYJGNVAPSA-N 351.479 4.214 30 40 FIEB C/N=C1/S/C(=C/c2cc(C)n(-c3ccccc3Cl)c2C)C(=O)N1C 408928880 FQFUFWASTIPVGU-WOLOTKMDSA-N 359.882 4.279 30 40 FIEB CCCCOc1ccc(/C=N/Nc2cc(N3CCCCC3)ncn2)cc1 4015887 FLNRIMCITUJTDD-HZHRSRAPSA-N 353.470 4.092 30 40 FIEB COc1cc(/C=N/Nc2ccc(F)cc2)ccc1OC(=O)c1ccco1 5020081 BIYXCYJVUQUEHT-CIAFOILYSA-N 354.337 4.093 30 40 FIEB COc1ccc(C(=O)O/N=C/c2ccc(OCc3ccccc3)cc2)cc1 6181840 PDVDUKKDPPEBRR-HZHRSRAPSA-N 361.397 4.465 30 40 FIEB CCN(CCC(=O)Nc1sccc1C#N)[C@H](C)c1cccc(OC)c1 40122942 OUVPFEQEQVTEIY-CQSZACIVSA-N 357.479 4.040 30 40 FIEB N#Cc1c(O)c(/N=N/c2ccc(Cl)cc2)c(=O)n2c1[nH]c1ccccc12 102920738 QPGDHGWQNUYTRD-GHVJWSGMSA-N 363.764 4.427 30 40 FIEB C=CCN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(C)c1 224649985 MOYOURQUXPIORV-UHFFFAOYSA-N 369.845 4.177 30 40 FIEB C=CCN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(Cl)cc1 224703850 AEDDTWPKOILYCB-UHFFFAOYSA-N 351.855 4.120 30 40 FIEB C=CCOc1ccc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc1 408787847 AFCREYUZROERLD-LUDQZLGDSA-N 366.486 4.413 30 40 FIEB CC/N=C1/S/C(=C/c2cc(OC)c(OCC)cc2Cl)C(=O)N1CC 408931138 HQBXYNYQMKHHLJ-NGCQHBKASA-N 368.886 4.059 30 40 FIEB Cc1cc(N2CCOCC2)ccc1/C=N\c1ccccc1Br 409069120 WHVQDXJJYZNZGN-MOSHPQCFSA-N 359.267 4.345 30 40 FIEB Cc1ccc2cc(C(=O)N[C@@H](C#N)c3cccc(C(F)(F)F)c3)[nH]c2c1 520271357 GAKXCARXIPIDSK-KRWDZBQOSA-N 357.335 4.490 30 40 FIEB Cc1cc(C)nc(N/C(=N\c2ccc(C)c(C)c2)NC(=O)c2ccccc2)n1 2260848 DJHYHFGZSPJZLO-UHFFFAOYSA-N 373.460 4.240 30 40 FIEB CCOC(OCC)c1ccc(C(=O)[C@@H]2O[C@@H]2c2ccc(Cl)cc2)o1 3168013 OLQGSWFGXHFFAW-SJORKVTESA-N 350.798 4.327 30 40 FIEB Cc1cc(C)c2nc(SCC(=O)N3CCCCCC3)c(C#N)cc2c1 4849183 OOVNEQNYYMBLIX-UHFFFAOYSA-N 353.491 4.218 30 40 FIEB C#CCn1c([C@H]2CC(=O)N(c3ccc(Cl)c(C)c3)C2)nc2ccccc21 5235911 MLLISNKAWRNISU-HNNXBMFYSA-N 363.848 4.152 30 40 FIEB C=CC/N=c1\scc(-c2cc(OC)ccc2OC)n1N=C1CCCC1 5864829 WIOIQSMZVGEACP-VXPUYCOJSA-N 357.479 4.099 30 40 FIEB COc1cc(C#N)ccc1OC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 7780349 KHEVBCCBMZKPCW-ZDUSSCGKSA-N 360.413 4.392 30 40 FIEB C=CCOc1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)cc1 8041639 VUGJWJWKLJCPJI-UHFFFAOYSA-N 371.458 4.231 30 40 FIEB C=CCn1cnn(CN2CCC(c3nc4ccccc4s3)CC2)c1=S 8111242 ZKIIZDNRXOVWMV-UHFFFAOYSA-N 371.535 4.047 30 40 FIEB OC(/C=C/c1ccco1)=N\c1nc(-c2ccccc2Br)n[nH]1 9835615 IYVAIHKKUWFJQR-BQYQJAHWSA-N 359.183 4.129 30 40 FIEB C=CCSc1nnc(NC(=O)CSCc2cccc(Cl)c2)s1 16008316 SXHRTWWWTPCVTQ-UHFFFAOYSA-N 371.940 4.342 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccsc2)C[C@@H]1c1ccccc1OCC 69374969 UIHWCIJKKHZSSE-YLJYHZDGSA-N 370.470 4.466 30 40 FIEB CCn1c(=O)c(/C=N/c2cccc3cccc(N)c23)c(O)c2ccccc21 103461968 DZGICJYTTNNELL-ZMOGYAJESA-N 357.413 4.213 30 40 FIEB COc1cc(NCC(C#N)C#N)ccc1/N=N\c1ccc([N+](=O)[O-])cc1 104288915 HECQUXRJYSHQBR-DQRAZIAOSA-N 350.338 4.094 30 40 FIEB C=CCOc1ccc(C(=O)NCCCc2cccc(OC(C)C)c2)cc1 219640534 RRPHZBZFJUAMBF-UHFFFAOYSA-N 353.462 4.401 30 40 FIEB CCc1ccc(/N=C/c2ccc(O)c(I)c2)cc1 408965934 XSUQGFYJOVUNJP-LICLKQGHSA-N 351.187 4.310 30 40 FIEB Cc1cc(I)c(O)c(/C=N/c2cc(C)ccc2O)c1 1433535 HJRGIGSOWOPHID-CAOOACKPSA-N 367.186 4.070 30 40 FIEB N#Cc1nc(-c2ccc([N+](=O)[O-])cc2)oc1NCc1ccc(Cl)cc1 2376631 UEEIZAIFZGHUEA-UHFFFAOYSA-N 354.753 4.387 30 40 FIEB COc1ccccc1NC(=S)N/N=C/c1ccc(OCCC(C)C)cc1 3267393 FICHYWHKGYLRNQ-KGENOOAVSA-N 371.506 4.441 30 40 FIEB CCCC[C@@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc([N+](=O)[O-])cc1 4626435 WVKDLKWFXFPJBB-RDTXWAMCSA-N 374.437 4.096 30 40 FIEB FC(F)(F)c1nnc(S)n1/N=C/c1cccc(Oc2ccccc2)c1 5522924 KOJRMKFPDPSVQK-KEBDBYFISA-N 364.352 4.260 30 40 FIEB N#Cc1ccc(C(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3[nH]2)cc1 6161322 HUSPCAWTHFQIQJ-OAQYLSRUSA-N 366.424 4.148 30 40 FIEB CCc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(OC)c(OC)c3)S2)cc1 28296847 HDGLZGHZVQNHKG-LDADJPATSA-N 368.458 4.158 30 40 FIEB N#Cc1ccc(COCC2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1 77191648 RXVUUDAXWHEQFN-UHFFFAOYSA-N 374.440 4.373 30 40 FIEB CC(C)N1C(=O)/C(=C\c2ccc(C(=O)O)cc2)S/C1=N/c1ccccc1 96466750 CVGFQPNVJZOWJN-UCEMORSKSA-N 366.442 4.397 30 40 FIEB C=CCSc1nnc(NC(=O)[C@@H](CC)Oc2cccc(Cl)c2)s1 223110487 XUBZNUXJILRNPE-GFCCVEGCSA-N 369.899 4.266 30 40 FIEB C=C(CNC(=O)Nc1ccccc1C(F)(F)F)c1nc2ccccc2[nH]1 223811077 IMERIMQXOHIAMY-UHFFFAOYSA-N 360.339 4.417 30 40 FIEB Cc1nc2ccc(Br)cc2c(=O)n1N=C/C=C/c1ccccc1 409287123 YQLMAKDGNRPOOS-VAAIBFCQSA-N 368.234 4.015 30 40 FIEB COc1ccccc1-c1nnc(SCC#N)n1-c1ccc(Cl)cc1 3543371 VTNXCQADGHBOTL-UHFFFAOYSA-N 356.838 4.212 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2cccc(OC)c2)C[C@H]1c1cccs1 4919321 ZTBROBNFCNPTCZ-QFBILLFUSA-N 356.443 4.076 30 40 FIEB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)/C=C/c1ccc[n+](C)c1 6187194 GPQQKMFSUONKJG-BJMVGYQFSA-N 355.870 4.493 30 40 FIEB Cc1nc(SCC(=O)Nc2c(C#N)oc3ccccc23)c2ccccc2n1 6880302 KEWRLKZQKPNLDM-UHFFFAOYSA-N 374.425 4.287 30 40 FIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCCc4ccccc4)[C@H]3C[C@H]12 12659769 VGHVAFRCSSCDCV-AIDNLNPPSA-N 353.506 4.133 30 40 FIEB biogenic CN(C)[C@H](CNc1oc(-c2cccc(F)c2)nc1C#N)c1cccs1 96346097 DSSPGNXYADPSLC-OAHLLOKOSA-N 356.426 4.129 30 40 FIEB CCN1C(=O)/C(=C/c2ccc(F)cc2)S/C1=N/c1cccc(C(=O)O)c1 100309245 QCTHQSRFQADWJO-PMDYYOJLSA-N 370.405 4.148 30 40 FIEB O=C1C(=O)N(c2ccccc2)[C@H](c2ccccc2)/C1=C(\O)c1ccc(F)cc1 104130202 BBAYGBXOSDVSBC-YDJIHCHBSA-N 373.383 4.452 30 40 FIEB C=C(C)COc1cccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)c1 219790843 CELYKJQMTGFJOK-UHFFFAOYSA-N 350.418 4.021 30 40 FIEB COc1cccc(/N=C\c2ccc(OCC(=O)NC3CCCCC3)cc2)c1 408800422 PEAJNZCSOVMCNB-HAHDFKILSA-N 366.461 4.274 30 40 FIEB CCN(CC)c1ccc(/C=N/Nc2ccc(C(F)(F)F)cn2)c(OC)c1 409065189 IBUAJOLAFQVCGG-FOKLQQMPSA-N 366.387 4.401 30 40 FIEB O=[N+]([O-])c1cccc(/N=C/c2ccc(Br)c([N+](=O)[O-])c2)c1 3152341 HZKOCCWPDBEKJB-OVCLIPMQSA-N 350.128 4.016 30 40 FIEB N#Cc1ccccc1NCC(=O)Nc1ccc(OCc2ccccc2)cc1 3388568 DFUKMASQXIRLSK-UHFFFAOYSA-N 357.413 4.188 30 40 FIEB Cc1cccc(C)c1OCc1nnc(SCCC#N)n1-c1ccccc1 3416967 HIMFRSDHZXPRDT-UHFFFAOYSA-N 364.474 4.469 30 40 FIEB Cc1ccccc1N/N=C(\C#N)c1nc(-c2ccc3c(c2)OCO3)cs1 4175320 PYFAHLAUAVBKGH-HZHRSRAPSA-N 362.414 4.187 30 40 FIEB C=CCn1c([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)nc2ccccc21 4385010 QLHOLIOOLXELDO-AWEZNQCLSA-N 351.837 4.396 30 40 FIEB CSc1nc2n(n1)[C@@H](c1sccc1C)C1=C(CC(C)(C)CC1=O)N2 4436318 YGNFDCAKJDRVOF-CYBMUJFWSA-N 360.508 4.028 30 40 FIEB COc1cc(OC)c(C(=O)/C=C\c2ccccc2)c(O)c1Br 17328411 SMCXTJBQMQBLHX-HJWRWDBZSA-N 363.207 4.068 30 40 FIEB O=C(/C=N/OCc1coc(-c2ccc(F)cc2)n1)Nc1ccccc1Cl 43584772 MERIIELFZQEZPY-ZVBGSRNCSA-N 373.771 4.275 30 40 FIEB C/C(=N/NC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1ccncc1 48260429 HNEGTRNKRZJLHX-AFPJDJCSSA-N 372.803 4.464 30 40 FIEB C=C(C)Cn1c(SCC)nc2sc3c(c2c1=O)C[C@](C)(CC)OC3 2371917 HIPKNAKGERIMPQ-SFHVURJKSA-N 364.536 4.388 30 40 FIEB Cc1ccc(-c2nc3n(n2)[C@H](c2cccs2)C2=C(CCCC2=O)N3)cc1 4279829 VNOFHZXTCLMOAX-GOSISDBHSA-N 362.458 4.337 30 40 FIEB C=CCN/C(S)=N/N=C\c1ccccc1OCc1ccc(Cl)cc1 4514510 RFNSGVWDTICEBK-MTJSOVHGSA-N 359.882 4.314 30 40 FIEB CCOc1ccc(/C=N/Nc2cc(C)nc(NCc3ccccc3)n2)cc1 4859990 YZZULODJRMARHC-HZHRSRAPSA-N 361.449 4.242 30 40 FIEB Cc1cc(C)nc(N/N=C/c2sc(Nc3ccccc3)nc2Cl)n1 6367834 RPYMQTPDWWRTLN-GIJQJNRQSA-N 358.858 4.393 30 40 FIEB O=C1N/C(=N/c2ccccc2)S/C1=C/c1cccc(Br)c1 13476962 LGQPSEWHQMLOKP-GXDHUFHOSA-N 359.248 4.341 30 40 FIEB Cc1ccc(NC(=S)N/N=C2\C(O)=Nc3c(C)cc(C)cc32)c(C)c1 14071371 RSVRQKMNHTXJHU-UHFFFAOYSA-N 352.463 4.213 30 40 FIEB O=C1COc2ccc(C(=O)/C=C/c3ccc(-c4ccc(F)cc4)o3)cc2N1 18917796 JHANDGKPYCKJRP-SOFGYWHQSA-N 363.344 4.313 30 40 FIEB CC(=O)c1cc2c(nc1C)sc1c(-c3ccccc3)c(C#N)c(N)nc12 19798010 ZWKWARFOGHEWGC-UHFFFAOYSA-N 358.426 4.476 30 40 FIEB C[C@H]1CCc2ccccc2N1CC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N 24679482 GNPWKQWIORCKPH-MAUKXSAKSA-N 368.440 4.065 30 40 FIEB CC(C)/N=C(/NCc1cccc(NC(=O)C2CCC2)c1)c1cccs1 71843643 MGMGJUPYJXHXQW-UHFFFAOYSA-N 355.507 4.432 30 40 FIEB COc1cccc(/N=C2\N=C(O)S\C2=C\c2ccc3nccnc3c2)c1 95477229 KGPKGWYJBTWAMA-LICLKQGHSA-N 362.414 4.370 30 40 FIEB CCc1cc(Br)cc(C)c1NC(=O)COc1ccc(C#N)cc1 409123696 DJAHTTNIALXSOG-UHFFFAOYSA-N 373.250 4.209 30 40 FIEB CCSc1nc2n(n1)[C@@H](c1ccccc1Cl)C1=C(CCCC1=O)N2 4436185 ZWTQGPGLDYDRRX-HNNXBMFYSA-N 360.870 4.066 30 40 FIEB COc1cc(N/N=C(\C)c2cccc(C(F)(F)F)c2)nc(SC)n1 4667626 JZJNQMWONNIOJC-ZVBGSRNCSA-N 356.373 4.062 30 40 FIEB O=C1C(Cl)=C(N2CCC(Cc3ccccc3)CC2)C(=O)c2ccccc21 4675128 APVARSCSKNWQCC-UHFFFAOYSA-N 365.860 4.471 30 40 FIEB O=C1N/C(=N\c2cccc(Cl)c2)S/C1=C\c1ccc(N2CCCC2)o1 59138433 IZIUKECJQHUERY-PTNGSMBKSA-N 373.865 4.425 30 40 FIEB COC(=O)C1=C(C)N(c2ccc(C)cc2)/C(=C/c2sccc2C)C1=O 100274599 DCFDGZIHEZJANG-LFIBNONCSA-N 353.443 4.242 30 40 FIEB Cc1ccc(-n2cccc2/C=N/N2C(=O)c3ccccc3C2=O)cc1Cl 409015451 SCVFFXHLLOCEPT-WSDLNYQXSA-N 363.804 4.069 30 40 FIEB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=N/Nc1ccc([N+](=O)[O-])cc1 5784971 NKKDHLSWCWXZOA-KEBDBYFISA-N 373.775 4.327 30 40 FIEB CCOC(=O)c1sc2nc(C)nc(Oc3ccc(C#N)cc3)c2c1C 6549058 YOTIBZBOWWDWDX-UHFFFAOYSA-N 353.403 4.149 30 40 FIEB O=C(/C(=N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1)c1ccccc1 7946930 XPODGHDVKKAUQP-LNEICIBQSA-N 357.369 4.301 30 40 FIEB S=C(NCc1ccco1)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1 7983680 DDEFRRSPSUILCM-RGVLZGJSSA-N 359.838 4.191 30 40 FIEB CCCOc1ccc(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1 12792264 AMKGVKVPSVWWGJ-IZZDOVSWSA-N 356.418 4.397 30 40 FIEB CCCCCCCCCCCCCCCCn1c[n+](N[N+](=O)[O-])cn1 98001573 YCORPJUMTMJAFP-UHFFFAOYSA-N 354.519 4.387 30 40 FIEB C=CCOc1c(Cl)cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc1OC 408913184 TYBQJOPFLBLVLI-ODLFYWEKSA-N 361.785 4.268 30 40 FIEB Cc1ccsc1/C=N/Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 4863711 DQBLMLUALOQWQT-UBKPWBPPSA-N 374.300 4.338 30 40 FIEB Clc1cccc(Cl)c1/C=N/Nc1nn2cnnc2c2ccccc12 4877926 XUWLJBLJTTVGTQ-UFWORHAWSA-N 357.204 4.030 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(F)cc2)C[C@@H]1c1cccc(OC)c1 4918577 YNICVHFUYGBONU-TZIWHRDSSA-N 368.404 4.154 30 40 FIEB O=C1COC(=O)/C1=C(/Nc1ccccc1)SCc1ccccc1Cl 5451157 AKWLCFYFZDPVHQ-MSUUIHNZSA-N 359.834 4.023 30 40 FIEB CCOc1cc([N+](=O)[O-])cc(/C=N/c2cccc(NC(=O)C(C)C)c2)c1O 5871986 VWDBLPROEPOCKC-RGVLZGJSSA-N 371.393 4.044 30 40 FIEB C=CCOc1ccccc1/C=C1\S/C(=N\c2ccc(C)cc2)NC1=O 8411987 LTXKINACTBRBFU-AQTBWJFISA-N 350.443 4.451 30 40 FIEB CC(C)CCN1C(=O)CCc2cc(NC(=O)c3ccc(C#N)cc3)ccc21 9164797 AKQLJEQVCRPFQD-UHFFFAOYSA-N 361.445 4.136 30 40 FIEB CCOC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O 9419696 YBGQPJXIGPRYRA-HIPMGEKLSA-N 372.804 4.287 30 40 FIEB N#C/N=C(/N)c1sc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1N 13764911 JFWPAZKPRQIEDM-UHFFFAOYSA-N 369.453 4.399 30 40 FIEB C/C(=N\OCc1ccc(C#N)cc1F)c1nc2ccccc2n1C(F)F 14378075 LMXLZUIKBKPJLI-BHGWPJFGSA-N 358.323 4.383 30 40 FIEB C/N=C1\S[C@H](CC(=O)Nc2ccc(C(C)C)cc2)C(=O)N1C1CCCC1 15231151 AMHDRHWKOJDYJO-QBEKEKFNSA-N 373.522 4.011 30 40 FIEB Cc1nc(COc2ccc(F)cc2)sc1C(=O)Oc1ccccc1C#N 23401754 POZIHCFLSIUNIW-UHFFFAOYSA-N 368.389 4.261 30 40 FIEB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(C(C)(C)C#N)cc1 29152802 JPDBPOODNHPLLA-OAQYLSRUSA-N 373.456 4.390 30 40 FIEB CN(Cc1cccc(C#N)c1)C(=O)c1cccnc1Nc1cccc(F)c1 52512099 KPOOGDQWTZYJNS-UHFFFAOYSA-N 360.392 4.108 30 40 FIEB C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)N1CCN(c3cccc(C)c3C)CC1)C2 72242862 SMWWPGGPWVRPFQ-CVDCTZTESA-N 352.522 4.335 30 40 FIEB CC(C)(C)c1ccc(Cn2cc(Br)cc(CC#N)c2=O)cc1 95997142 PVQKNIDLYVAVHP-UHFFFAOYSA-N 359.267 4.023 30 40 FIEB COc1ccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc1C 107971476 CVEDVROOYMFVHL-BUVRLJJBSA-N 369.424 4.263 30 40 FIEB COc1ccccc1N=C1NC(=O)/C(=C/c2c(C)[nH]c3ccccc23)S1 408720871 GPUKKVUWENQGAW-WQRHYEAKSA-N 363.442 4.377 30 40 FIEB CCCOc1ccc2ccccc2c1/C=N/Nc1ccc([N+](=O)[O-])cn1 409021071 XMQOVPUPLRCHSN-FYJGNVAPSA-N 350.378 4.378 30 40 FIEB COc1ccc2c(c1)Cc1sc(/N=C\c3ccc([N+](=O)[O-])cc3)nc1-2 409044378 CJXYNVYZOGVCSU-GRSHGNNSSA-N 351.387 4.382 30 40 FIEB Cc1cc([C@H]2CCCN(c3c(C#N)cnc4ccc(Cl)cc34)C2)n[nH]1 518798394 CSQMUGKPDXNTHN-ZDUSSCGKSA-N 351.841 4.175 30 40 FIEB Cc1ccc(NC(=O)CSc2nc(C)cc(C(F)(F)F)c2C#N)cc1 1051563 HCIQAONRDKUSPP-UHFFFAOYSA-N 365.380 4.320 30 40 FIEB O=C(Nc1ccc(/N=C/c2ccc(O)c(O)c2)cc1)c1ccc(F)cc1 3087960 MYNMMIIKLUYMTC-WSDLNYQXSA-N 350.349 4.240 30 40 FIEB CC(C)(C)C(=O)COC(=O)c1ccccc1Sc1ccccc1C#N 3463775 MTJBYEIHUBSWJC-UHFFFAOYSA-N 353.443 4.481 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccccc2)C[C@@H]1c1cccc(OC)c1 6758303 WRISZSJOVVTGAX-TZIWHRDSSA-N 350.414 4.015 30 40 FIEB C=CCn1c(S[C@@H](C)C(=O)c2ccc(F)cc2)nnc1-c1cccnc1 8472113 YCIJXXBUOAQLLS-ZDUSSCGKSA-N 368.437 4.029 30 40 FIEB O=C1/C(=C/c2c(F)cccc2Cl)Oc2cc(OC(=O)C3CC3)ccc21 13769140 KGWGWJPURYJXCN-MFOYZWKCSA-N 358.752 4.411 30 40 FIEB O=C(/N=C\NC(=O)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 16137582 WKRSIWTYKDBTID-UHFFFAOYSA-N 368.521 4.090 30 40 FIEB COc1cc([N+](=O)[O-])cc(/C=N\c2ccc(N3CCCCC3)cc2)c1O 16195018 KQZHNSMFCCTOOF-MOSHPQCFSA-N 355.394 4.050 30 40 FIEB Cc1ccc(-n2c(C)cc(/C=N\Nc3ccc([N+](=O)[O-])cn3)c2C)cc1C 34687452 PRISIUSMVAFJNT-JJFYIABZSA-N 363.421 4.460 30 40 FIEB C[C@@H](NC(=O)c1ccc(/N=C2\C(=O)Nc3ccccc32)cc1)c1ccccc1 226762328 XNXMDOVLSIVNNV-OAHLLOKOSA-N 369.424 4.251 30 40 FIEB C#C[C@]1(O)CC[C@@H]2[C@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]21C 253497456 LFSRETZWVUHKLB-FAZHRNDASA-N 356.506 4.245 30 40 FIEB CCCCCCCc1nnc(SCC(=O)NC2CCCCC2)n1CC 408560085 AHJALDZTLULBFZ-UHFFFAOYSA-N 366.575 4.352 30 40 FIEB O=c1c2ccccc2nc(O)n1N=Cc1ccccc1Sc1ccccc1 409361177 QQVLOLYLHCUWQF-UHFFFAOYSA-N 373.437 4.136 30 40 FIEB CC(=O)c1ccc(/N=C/c2c(C)c(C#N)c3nc4ccccc4n3c2O)cc1 3026161 JPVSLAOMXOELSS-WYMPLXKRSA-N 368.396 4.326 30 40 FIEB C=C(C)CSc1nnc([C@H](CCSC)NC(=O)OC(C)(C)C)o1 4295840 UBCVFJLUMJNYSW-NSHDSACASA-N 359.517 4.057 30 40 FIEB C=CCSc1nc2ccccc2c(=O)n1-c1ccc(OC)c(Cl)c1 4513727 IEZXFACPYNZCSR-UHFFFAOYSA-N 358.850 4.326 30 40 FIEB C/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(OC(C)C)cc1 4652704 ZBUVWAQJYOGRBA-LDADJPATSA-N 358.354 4.126 30 40 FIEB N#Cc1ccccc1-c1ccccc1C(=O)N[C@@H]1CCOc2ccccc21 7280286 USEYKNGKIPFXKM-OAQYLSRUSA-N 354.409 4.479 30 40 FIEB C[C@@H](NP1(=O)OCC(C)(/N=C/c2ccccc2)CO1)c1ccccc1 17824838 WIHUNSNLHKQZMN-PRDBWMLHSA-N 358.378 4.370 30 40 FIEB CSc1nc(N)c(C#N)c(-c2ccc(OCc3ccccc3)cc2)c1C#N 19848314 PRXBEXBGNNJLQQ-UHFFFAOYSA-N 372.453 4.375 30 40 FIEB N#CCOc1ccc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)cc1 54498845 LEUXAVKXMVIGOE-LFIBNONCSA-N 370.430 4.134 30 40 FIEB Cc1cc2c(cc1O)CCC/C2=N\OC(=O)c1cccc(Br)c1 55185043 VMIWJIXJLIJOEN-CAPFRKAQSA-N 374.234 4.361 30 40 FIEB N#Cc1cccc(S(=O)(=O)c2cnc3ccc(Cl)cc3c2Cl)c1 72329782 LSGLGOHTTZSFBT-UHFFFAOYSA-N 363.225 4.246 30 40 FIEB COc1ccc(/C=N/c2c(C)nn(-c3ccccc3)c2C)cc1[N+](=O)[O-] 103226410 LEWHQMSUVKLIFR-UDWIEESQSA-N 350.378 4.157 30 40 FIEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(O)c(O)c1 803559 HQKDNVVUEHTPCB-HXUWFJFHSA-N 350.418 4.320 30 40 FIEB CCn1c(SCC#N)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 2207819 BWFVVUWOLQUSIN-UHFFFAOYSA-N 365.502 4.304 30 40 FIEB N#Cc1nc(-c2ccc(COc3ccccc3)o2)oc1NCc1cccnc1 8614925 CRTDHHHQQSHHLF-UHFFFAOYSA-N 372.384 4.392 30 40 FIEB C=CCc1cc(CN2CCC(C(=O)c3ccccc3)CC2)c(O)c(OC)c1 14201574 IVKXEVSLUWZWNH-UHFFFAOYSA-N 365.473 4.224 30 40 FIEB Cc1cc(C)c2c(c1)/C(=N/O)C(=O)N2CCOc1ccc2ccccc2c1 46084947 DOCKDPJPUNFHEG-ATJXCDBQSA-N 360.413 4.061 30 40 FIEB O=C1/C(=C/NC2CCCCC2)Nc2ccc(Br)c(Cl)c21 100392289 XYQJBFYPHWBEAQ-WQLSENKSSA-N 355.663 4.474 30 40 FIEB C=CCOc1ccc(C(=O)N[C@@H](CC)c2ccc(OC)c(OC)c2)cc1 219643722 IPDALMQKOFKZIP-SFHVURJKSA-N 355.434 4.150 30 40 FIEB C#CCOc1c(Cl)cc(/C=C2\C(=O)ON=C2c2ccccc2)cc1Cl 409078658 JBWCYXKNRIFCAL-ZROIWOOFSA-N 372.207 4.350 30 40 FIEB COC(=O)c1nc(-c2ccccc2)oc1SCc1cccc(C#N)c1 606422449 KRFULSIPZBLPAJ-UHFFFAOYSA-N 350.399 4.292 30 40 FIEB C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3F)c2C)C1=O 982466 QWIYOBASEFYWDA-GZTJUZNOSA-N 356.422 4.456 30 40 FIEB N#Cc1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)on2)cc1 4880614 VPECGWLQIJNCLC-UHFFFAOYSA-N 368.190 4.228 30 40 FIEB Cc1cc(C)nc(N/C(=N/C(=O)NC2CCCCC2)Nc2ccccc2)n1 18057411 ZBFOWCXVMAECIL-UHFFFAOYSA-N 366.469 4.016 30 40 FIEB O=C1C2=C(Nc3[nH]nc(O)c3[C@@H]2c2c(F)cccc2Cl)c2ccccc21 18196144 GORHZSNFURHHTC-CYBMUJFWSA-N 367.767 4.073 30 40 FIEB COc1cc(OC)c2c(c1)O/C(=C/c1ccc(Br)cc1)C2=O 19721418 SGMAAWPXBXZZQJ-VIZOYTHASA-N 361.191 4.083 30 40 FIEB COC(=O)c1sc2nc(C)cc(C)c2c1/N=C/c1ccc([N+](=O)[O-])cc1 35327590 AXDHWDLMBFMLHY-DJKKODMXSA-N 369.402 4.359 30 40 FIEB Cc1cc(SCC(=O)NC2(C#N)CCCCC2)nc2c(C)cccc12 5582566 ADQRKYUCAOFPJT-UHFFFAOYSA-N 353.491 4.286 30 40 FIEB CCOc1ccc(/C=N/N=C(/C(=O)c2ccccc2)c2ccccc2)c(O)c1 12617574 ICFCUUQSENJRJU-KIGCCDCASA-N 372.424 4.497 30 40 FIEB C=CCn1c(C)cc(C(=O)CSc2nc3cc([N+](=O)[O-])ccc3o2)c1C 32777342 ASAKOCCOHUKCJL-UHFFFAOYSA-N 371.418 4.315 30 40 FIEB Cc1cccc(N(CCC#N)C(=O)CN2CC[C@@H](c3ccccc3)C2)c1C 69701419 LDGNGQACZQBIMW-OAQYLSRUSA-N 361.489 4.040 30 40 FIEB CCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])o2)S/C1=N\c1ccc(C)cc1 408908773 RVEDAMGMUKXONS-IBZGOXDYSA-N 357.391 4.120 30 40 FIEB O=C1CCCC2=C1[C@H](c1cccc([N+](=O)[O-])c1)CC(=O)N2c1ccccc1 1444124 DTWBPAOBNAWQTN-KRWDZBQOSA-N 362.385 4.122 30 40 FIEB CCCCCCOc1ccccc1/C=N/NS(=O)(=O)c1ccc(C)cc1 3081466 NZAHLQVQFZURJT-LTGZKZEYSA-N 374.506 4.267 30 40 FIEB N#Cc1c(Cl)nc(N/N=C\c2ccccc2C=O)c(Cl)c1Cl 5344628 ICAOBSJEAOHKJS-SWNXQHNESA-N 353.596 4.172 30 40 FIEB CC(C)c1ccc([C@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ncnn32)cc1 6670417 WOTJNLLYGXVBTQ-KKSFZXQISA-N 374.444 4.410 30 40 FIEB CCCOc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1OC 7745425 AVGGOZYPZWLIAU-QPJJXVBHSA-N 354.402 4.151 30 40 FIEB O=C(/C=C/c1cc(Cl)c2c(c1)OCCCO2)c1ccc([N+](=O)[O-])cc1 7904152 LXPLSFVRLYYFBI-FARCUNLSSA-N 359.765 4.306 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@H]1c1cccs1 9576758 GAGLPAKUZBANTI-LPHOPBHVSA-N 356.443 4.076 30 40 FIEB CC(C)(C)[C@H]1CCc2nc(N)c(C#N)c(-c3ccc([N+](=O)[O-])cc3)c2C1 19832164 GZMBFGVNBVZZGJ-ZDUSSCGKSA-N 350.422 4.262 30 40 FIEB N#Cc1cnc2ccc(OC(F)F)cc2c1N1CCc2sccc2C1 71939135 SKHPXDOZJPVWPM-UHFFFAOYSA-N 357.385 4.332 30 40 FIEB C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc2ccccc2c1 225047195 KXNGADFDGMKGHN-UHFFFAOYSA-N 353.443 4.230 30 40 FIEB Cc1cccc(-n2c(C)cc(/C=N/Nc3ncccc3[N+](=O)[O-])c2C)c1C 409075629 ZFIZVCQEUJXANO-WSDLNYQXSA-N 363.421 4.460 30 40 FIEB C=CCCC[C](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1560408650 HWHAFYWYFQUBCN-UHFFFAOYSA-N 364.421 4.498 30 40 FIEB COc1ccc(NC(=O)CCC2=CC(=O)C[C@@H](c3ccccc3)O2)cc1 644790 NMUIFOZCWXEZME-FQEVSTJZSA-N 351.402 4.029 30 40 FIEB O=C1/C(=C/c2ccco2)Oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc21 1874639 ONYKTSSRDMMYBX-ODLFYWEKSA-N 363.325 4.383 30 40 FIEB CC(C)CC(=O)O/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 3064141 TYOYBADDLDFSBF-QOCHGBHMSA-N 370.836 4.180 30 40 FIEB CCOc1cc(/C=C2\Cc3ccccc3C2=O)cc(Br)c1O 3581776 LDCBWJPSPFDERA-NTUHNPAUSA-N 359.219 4.376 30 40 FIEB CCc1ccc(NC2=NC(=O)/C(=C\c3ccc(OCC#N)cc3)S2)cc1 5127003 OKBORWSJRTYGBH-QGOAFFKASA-N 363.442 4.234 30 40 FIEB CCCC/C=N/N=C1/NC(=O)[C@H](Cc2ccc(SC(F)F)cc2)S1 5526169 MRIQOVNUSJVFTK-PFHXIJNMSA-N 371.478 4.307 30 40 FIEB O=[N+]([O-])c1ccc(-c2ccc(/C=N/Nc3nncc4ccccc34)o2)cc1 6476790 RPCHASBBOVKADK-CIAFOILYSA-N 359.345 4.244 30 40 FIEB COc1cc(/C=C/C(=O)Nc2cccc(C#N)c2)ccc1OCC(C)C 7265459 UFTFBVYGFDRQAH-CSKARUKUSA-N 350.418 4.254 30 40 FIEB CCc1ccc(/C=C/C(=O)c2ccc(OC)c(CSCC(=O)O)c2)cc1 7785473 VSWLRDTWTVRNSR-CSKARUKUSA-N 370.470 4.472 30 40 FIEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cccc(C)c1 20633155 ZHGNXIPORYCVFV-FQEVSTJZSA-N 359.429 4.363 30 40 FIEB COc1cc(/C=C/C(=O)c2ccc(OC(F)(F)F)cc2)cc(OC)c1O 40140021 HVWAOQMDVWRCPP-FPYGCLRLSA-N 368.307 4.204 30 40 FIEB O=C(Nc1cccc(C(F)(F)F)c1)O[C@@H]1C[C@@H]2C[C@@H]1[C@H]1C[C@H]3O[C@@H]3[C@H]21 100818661 YIEKQZZNLCOSAB-FHNDFQSHSA-N 353.340 4.066 30 40 FIEB C=CCN1C(=O)N/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C1=O 409122706 AZDJDMKZBILHHX-ZROIWOOFSA-N 363.200 4.332 30 40 FIEB CC1(C)CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1ccc(Cl)cc1Cl 804251 LLBJIMCUCDWAKP-OAHLLOKOSA-N 363.248 4.243 30 40 FIEB CCOc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)ccc1OCC#N 3766564 IRIAFLCCKQLVCM-LDADJPATSA-N 361.397 4.277 30 40 FIEB C/C(=N\Nc1ccccc1)c1cc2cc(Br)ccc2oc1=O 4698681 UILOOUNDEUZZOU-YBFXNURJSA-N 357.207 4.392 30 40 FIEB Cc1ccc(S(=O)(=O)N/N=C(\c2ccccc2)C2CCCCC2)cc1 5081741 CQGBRSOLXPGSOD-QZQOTICOSA-N 356.491 4.258 30 40 FIEB Cc1ccc(S(=O)(=O)/N=C(\Nc2ccccc2)c2ccccc2)cc1 15777253 VFDNJBQAFADFFB-UHFFFAOYSA-N 350.443 4.243 30 40 FIEB C=CCNC(=O)CCc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O 20427604 IYRGOHNTQTYIBX-UHFFFAOYSA-N 353.418 4.008 30 40 FIEB CC(C)c1cccc(C(C)C)c1NC(=O)CO/N=C(\N)c1cccs1 50512948 VBOORXBKSPPUSR-UHFFFAOYSA-N 359.495 4.271 30 40 FIEB C#CCN1C(=O)S/C(=C/c2ccc(Sc3ccc(C)cc3)o2)C1=O 408917433 UIOZWPGXVSWNJH-RVDMUPIBSA-N 355.440 4.409 30 40 FIEB CCOCCN1C(=O)/C(=C/c2ccsc2)S/C1=N/c1ccccc1 408928577 CWWWSMVYQLFTPS-MPOVVXLQSA-N 358.488 4.389 30 40 FIEB N#Cc1cnc2c(Cl)cccc2c1NCc1ccc(Cn2cncn2)cc1 1186601404 BJHKPEJPEQPRDT-UHFFFAOYSA-N 374.835 4.012 30 40 FIEB Cc1cc(OC[C@H]2CCCN(c3cc(C#N)c4ccccc4n3)C2)ccn1 1775970600 GRKHBPNEKPNWQR-KRWDZBQOSA-N 358.445 4.105 30 40 FIEB O=C(C[N+]1(CCc2ccccc2)CCOCC1)c1ccc2ccccc2c1 1668881 UQKKRFCPKAUMBT-UHFFFAOYSA-N 360.477 4.112 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(F)cc2)C[C@H]1c1ccc(OC)cc1 4119626 GJTAIQIEXGLVBG-FPOVZHCZSA-N 368.404 4.154 30 40 FIEB O=C1N/C(=N/c2ccccc2)S/C1=C/c1ccc(N2CCCCC2)o1 4704668 HIYXPTYVIPXNRW-DTQAZKPQSA-N 353.447 4.162 30 40 FIEB C/C(=N/Nc1nn2cnnc2c2ccccc12)c1ccc(Cl)c(Cl)c1 4897452 KZZAWGNILUQXPT-FBHDLOMBSA-N 371.231 4.420 30 40 FIEB CC(=O)c1ccc(/N=C2\SCCCN2C(=O)/C=C/c2ccco2)cc1 12549869 NYTFRKVUXJFNCR-OOLHVZIJSA-N 354.431 4.149 30 40 FIEB COc1ccc(C(=O)/C=C/c2ccccc2C)cc1CSCC(=O)O 12790740 NCEUDLDFCQRTIL-VQHVLOKHSA-N 356.443 4.218 30 40 FIEB N#CCCSc1nc2nc(-c3ccccc3O)cc(-c3ccccc3)n2n1 20635879 DOKHXYKPFZUPQT-UHFFFAOYSA-N 373.441 4.170 30 40 FIEB Cc1ccc(-c2ccc(C(=S)N3CCN(CCC#N)CC3)o2)cc1Cl 23115459 QPHFJVJMVTWJRG-UHFFFAOYSA-N 373.909 4.115 30 40 FIEB N#Cc1nc(NCc2csc(CCc3ccccc3)n2)ccc1Cl 81033600 LDIDWMHMEILHNS-UHFFFAOYSA-N 354.866 4.460 30 40 FIEB CC1(C)[C@@H]2CC[C@]1(C)C(=O)/C2=C/N(O)/C=C1/C(=O)[C@]2(C)CC[C@@H]1C2(C)C 104122135 BLACPVKXBSSOTA-PSSMVNPASA-N 357.494 4.496 30 40 FIEB C=C(C)COc1cccc(C(=O)NCCCc2ccccc2OCC)c1 219787274 TVDLSJJYZHGOQI-UHFFFAOYSA-N 353.462 4.403 30 40 FIEB Cc1cc(C(F)(F)F)nc(SCC(=O)Nc2ccccc2)c1C#N 1052495 BIBCLWNSXICYFC-UHFFFAOYSA-N 351.353 4.011 30 40 FIEB CCOc1cc(/C=C2/S/C(=N\c3ccc(C)c(C)c3)NC2=O)ccc1O 1452308 UCWSTALIFCXNIV-WOJGMQOQSA-N 368.458 4.299 30 40 FIEB N#C/N=C(/Nc1ccccc1)SCC(=O)C12CC3CC(CC(C3)C1)C2 6529075 AJQPGKUPLAWZMC-UHFFFAOYSA-N 353.491 4.454 30 40 FIEB CC(C)c1ccc([C@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ncnn32)cc1 6670419 WOTJNLLYGXVBTQ-IERDGZPVSA-N 374.444 4.410 30 40 FIEB Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4c(c3)OCO4)n2)cc1 7778851 CEBRKYOCIDAPGD-HNNXBMFYSA-N 362.410 4.337 30 40 FIEB Cc1nc(SCC(=O)N(C2=CCCCC2)C2CC2)c(C#N)c(C)c1C 8706902 LZOIRXWXZLZIFL-UHFFFAOYSA-N 355.507 4.420 30 40 FIEB N#CCc1ccc(NC(=O)CNc2cc(Cl)ccc2N2CCCC2)cc1 11621045 IUBYRZGZHBTTHB-UHFFFAOYSA-N 368.868 4.057 30 40 FIEB C/C(=N/N1CCN(Cc2cccc3ccccc23)CC1)c1ccc(O)cc1 20129945 VKGRJKMOJVGVHB-MOHJPFBDSA-N 359.473 4.087 30 40 FIEB C/C(=N/Nc1c(F)c(F)nc(F)c1F)c1ccc(Cl)c([N+](=O)[O-])c1 40161331 LVWKDGHGIDYRKH-SDPNRITHSA-N 362.670 4.036 30 40 FIEB COc1cc2c(cc1OC)CC(C)(C)N(C)C(C(=O)c1ccc(F)cc1)=C2 49548720 AOCADHCYEYESLI-UHFFFAOYSA-N 369.436 4.333 30 40 FIEB C=CCN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(OCC)cc1 224597331 TVQCDURPNDZWJI-UHFFFAOYSA-N 369.845 4.259 30 40 FIEB C=CCN(c1ccc(Br)c(C)c1)S(=O)(=O)c1cccs1 225132796 KGQQOVJCLCNJGT-UHFFFAOYSA-N 372.309 4.200 30 40 FIEB N#C[C@H]1[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 225666425 YCPCKJAXKFKTQH-OWCLPIDISA-N 352.242 4.073 30 40 FIEB N#Cc1c(N)nc(SCc2cccc3ccccc23)nc1C(F)(F)F 225894708 PIRPAAXBKHVYLQ-UHFFFAOYSA-N 360.364 4.395 30 40 FIEB CC(C)C(=O)NC(=S)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 408624158 BGMNHYMHNZUXOG-NSHDSACASA-N 363.552 4.240 30 40 FIEB C=CCOC(=O)[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl 5377384 RAZHSAREIGPRIW-OLZOCXBDSA-N 354.233 4.244 30 40 FIEB N#Cc1ccc(CSc2nnc(Cc3cccs3)n2C2CC2)cc1 7763825 HLQOBMGYLIRQQV-UHFFFAOYSA-N 352.488 4.429 30 40 FIEB COc1ccc(C(=O)/C=C/c2cc(Cl)c3c(c2)OCCO3)cc1OC 8054718 VNTXVBJTDUGSIA-HWKANZROSA-N 360.793 4.025 30 40 FIEB C=CCn1ncc2c3sc(C)cc3n(Cc3ccc(F)cc3)c2c1=O 12113482 LKWQAKPWTIVRQO-UHFFFAOYSA-N 353.422 4.095 30 40 FIEB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1sc2c(c1C#N)CCC2 100552374 HYEDPLRHNJTRBA-BOPFTXTBSA-N 362.458 4.135 30 40 FIEB C[C@H]1CC(C)(C)N(C)c2ccc(/C=N/Nc3ncccc3[N+](=O)[O-])cc21 208183219 OGNUQJODJXEZSZ-XMOVILSBSA-N 353.426 4.158 30 40 FIEB C=CCOc1ccc(NC(=S)N[C@@H](C)COc2ccc(C)cc2)cc1 225642922 GZOMESKXWBUBHQ-INIZCTEOSA-N 356.491 4.314 30 40 FIEB COc1cc(OC)c(/C=C2\Cc3ccccc3C2=O)cc1Br 409368992 WPGWSAUCVXLNTO-MDWZMJQESA-N 359.219 4.289 30 40 FIEB CC1(C)CC(=O)C2=C(C1)N=C1SCCC(=O)N1[C@H]2c1ccc(Cl)cc1 2481143 WNGDLXKCBFUISA-KRWDZBQOSA-N 374.893 4.359 30 40 FIEB COc1ccc(/C=C/C(=O)Nc2sc3c(c2C#N)CC(C)(C)OC3)cc1 4785580 GQRYULGEVXIQDO-RMKNXTFCSA-N 368.458 4.132 30 40 FIEB Cc1ccc(-n2ccnc2SCC(=O)Nc2ccccc2C#N)c(C)c1 6081129 DVOCRAXFOPYEJC-UHFFFAOYSA-N 362.458 4.092 30 40 FIEB C[C@H]1CCc2c(sc(NC(=O)c3ccc4nsnc4c3)c2C#N)C1 6668944 IGRDJOKAWDVHSO-VIFPVBQESA-N 354.460 4.002 30 40 FIEB CC(C)OC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O 9576094 LKJAQSNDUPMATD-NVMNQCDNSA-N 372.804 4.287 30 40 FIEB CCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(C(C)C)cc1)C2=O 9577361 UWFPSBULCMARQH-JAIQZWGSSA-N 366.413 4.368 30 40 FIEB CCOc1cc(/C=N\O)cc(Br)c1OCc1ccccc1 11961698 PENIMCWBIPZEOL-ZDLGFXPLSA-N 350.212 4.235 30 40 FIEB Cc1nc(-c2ccc(N[C@@H](C)C(=O)Nc3ccc(C#N)cc3)cc2)cs1 12564007 DGTHXDYDZRQMFU-ZDUSSCGKSA-N 362.458 4.429 30 40 FIEB O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1csc2c1CCCC2 12934781 YGJDWVMBZDZEES-UHFFFAOYSA-N 363.404 4.427 30 40 FIEB Cc1nc(COc2cccc(C(=O)Nc3sccc3C#N)c2)cs1 14165442 QWATZMDZQNURQK-UHFFFAOYSA-N 355.444 4.216 30 40 FIEB Cc1ncc(-c2ccc(NC(=O)c3c(C)oc(-n4cccc4)c3C#N)cc2)o1 29952788 QYDLINULPPCQAQ-UHFFFAOYSA-N 372.384 4.466 30 40 FIEB C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H](C)n1cnc2ccccc21 65453226 RTEQREYDHQIURS-LSDHHAIUSA-N 364.474 4.488 30 40 FIEB N#C[C@H](C(=O)c1cc2c(s1)CCC2)c1nc(O)c2ccc(Cl)cc2n1 84459311 LTEJIPSQOCYEHT-GFCCVEGCSA-N 369.833 4.029 30 40 FIEB CCc1ccc2c(c1)/C(=N/Nc1ccc(Cl)cc1)C(=O)N2C1CSC1 223724731 QTCSPOKJKUTALI-PYCFMQQDSA-N 371.893 4.181 30 40 FIEB Oc1ccc(/C=N\c2ccccc2Cl)cc1I 408963874 PVNDHNBDIZOIDM-PXNMLYILSA-N 357.578 4.401 30 40 FIEB COc1cc(/C=N/c2ccc(O)cc2)ccc1OCc1ccc(C(=O)O)o1 409384874 GKDXOEASCIODDW-SRZZPIQSSA-N 367.357 4.022 30 40 FIEB CCOc1cc(C(=O)Nc2ccc(C#N)cc2)cc(OCC)c1OCC 869728 BFYCJKUZYHOFHC-UHFFFAOYSA-N 354.406 4.007 30 40 FIEB CC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C(C#N)(C#N)[C@H]2C=Cc3ccccc3N12 4004507 CWLFGOPSWCIDPP-NJDAHSKKSA-N 373.843 4.330 30 40 FIEB C=CCOc1ccc(NC(=O)C(=O)NC2CCC(C(C)(C)CC)CC2)cc1 4702965 XCCHDRWXGOTNML-UHFFFAOYSA-N 372.509 4.301 30 40 FIEB N#Cc1cccc(NC(=O)c2cn3cc(C(F)(F)F)cc(Cl)c3n2)c1 5728873 ZYIZNMLSUYQMEB-UHFFFAOYSA-N 364.714 4.130 30 40 FIEB C=CCn1c(S[C@H](C)C(=O)c2ccc(F)cc2)nnc1-c1cccnc1 8472116 YCIJXXBUOAQLLS-CYBMUJFWSA-N 368.437 4.029 30 40 FIEB CSc1nc2n(n1)[C@@H](c1cccc3ccccc13)C1=C(CCCC1=O)N2 8488459 IILYXPYSSRCDEU-SFHVURJKSA-N 362.458 4.175 30 40 FIEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 11074333 WSYKRONQUJVNQV-MRXNPFEDSA-N 371.440 4.123 30 40 FIEB COc1cc(/N=C2/C(=O)N3c4c(cccc42)C(C)=CC3(C)C)cc(OC)c1 12406244 OOJHZIAXJAOQHS-FCDQGJHFSA-N 362.429 4.367 30 40 FIEB N#Cc1ncoc1N/N=C\c1ccc(-c2cccc(Br)c2)o1 94992859 KSUBRSRBQHBBSB-UWVJOHFNSA-N 357.167 4.015 30 40 FIEB C=C1C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@]1(O)C(C)=O 118938778 OKHAOBQKCCIRLO-YHHUUVGUSA-N 354.490 4.171 30 40 FIEB O=[N+]([O-])c1ccc(N/N=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)cc1 409212317 PVMDVDIORJOUDZ-APSNUPSMSA-N 355.137 4.256 30 40 FIEB CCOC(=O)[C@](O)(c1ccc(/N=C/c2ccccc2)c(C)c1)C(F)(F)F 2050599 RJKYDMFXSUINFQ-BYWZACNXSA-N 365.351 4.059 30 40 FIEB CN(C)c1ccc(/C=N/NCc2ccc(Cl)cc2)cc1Br 10118840 RPLVLMQATJNXAO-RGVLZGJSSA-N 366.690 4.292 30 40 FIEB C=C(C)c1nc(C#N)c(N/N=C/c2ccc(OCCCC)c(OC)c2)o1 27562615 OPKQEOONSPCVAC-CIAFOILYSA-N 354.410 4.213 30 40 FIEB COc1ccc(/C=N\Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 31854381 VTGBCVNWZOJBJA-ZDLGFXPLSA-N 354.391 4.173 30 40 FIEB O=C1/C(=N\O)c2cccc(Cl)c2N1CCOc1cccc2ccccc12 46084699 BNNUDQFDKMPNOI-PYCFMQQDSA-N 366.804 4.097 30 40 FIEB CC(C)=CCc1cc(C(=O)O)cc(CC[C@@H](C)C(=O)/C=C/C(C)(C)O)c1O 49181020 LQMRAHHWCLZHQD-AUECHBEKSA-N 374.477 4.064 30 40 FIEB biogenic,in-vitro Cc1cccc(/N=C/c2c(C)c(C#N)c3[nH]c4ccccc4n3c2=O)c1C 100312049 ROPQSQMCAMVXSB-WYMPLXKRSA-N 354.413 4.328 30 40 FIEB CCOc1cc(/C=C/[N+](=O)[O-])cc(Cl)c1OCc1ccccc1C#N 106109015 BIQSOWZQOSDCES-BQYQJAHWSA-N 358.781 4.437 30 40 FIEB CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 170024693 XUULQXNFXUYKPE-QGZVFWFLSA-N 373.302 4.058 30 40 FIEB O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C\c1ccncc1 408773866 TZWDYLUURMWUHP-WQLSENKSSA-N 350.230 4.280 30 40 FIEB CC[C@H]1S/C(=N/N=C/c2ccccc2)N(Cc2ccccc2C)C1=O 4899089 PSAJILIHHZSBRB-RXSWUABFSA-N 351.475 4.239 30 40 FIEB Cc1cccc([C@@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ncnn32)c1 5246713 QRYDFAFKCAXGGZ-DYESRHJHSA-N 356.429 4.002 30 40 FIEB COc1ccc(/C(=N\OC(C)C)[C@@H]2C[C@@H]2c2ccc3c(c2)OCO3)cc1 5384438 YMUCSXOQPKCMEH-IPCNLGOESA-N 353.418 4.357 30 40 FIEB CCOC(=O)c1sc(NC(=O)c2cc3c(s2)CCCC3)c(C#N)c1C 5978556 ZEOJMBTZZOHOAB-UHFFFAOYSA-N 374.487 4.298 30 40 FIEB CCn1cc(/C=C2/Oc3c(ccc(O)c3CN(C)C)C2=O)c2ccccc21 20649937 NEHVMHHNIOSNQY-RGVLZGJSSA-N 362.429 4.045 30 40 FIEB CN1C(=O)/C(=C\C=C\c2ccccc2)S/C1=N\c1ccc(C(=O)O)cc1 35656924 GRUSIIPEISKQBL-HXKPCNSASA-N 364.426 4.175 30 40 FIEB CCCCCCCCC1OCC(OC(=O)c2ccc(OC)cc2)CO1 70673031 OTJVAFHTFQWANG-UHFFFAOYSA-N 350.455 4.344 30 40 FIEB biogenic CCCCC(=O)Nc1ccc(NC(=O)c2ccc(C#N)cc2F)cc1OC 408619368 BMWWILBJOJWWTM-UHFFFAOYSA-N 369.396 4.087 30 40 FIEB COC(=O)c1cccc(-c2ccc(C=C3C(=O)c4ccccc4C3=O)o2)c1 409392258 OLVGFSLSKNBJMR-UHFFFAOYSA-N 358.349 4.196 30 40 FIEB CC(C)CC(=O)C1=C(Nc2ccccc2)C(=O)C=C(Nc2ccccc2)C1=O 1866242 JAZZUJQWIKEYPF-UHFFFAOYSA-N 374.440 4.116 30 40 FIEB COc1ccc(N/N=C(/C#N)c2nc(-c3ccc(F)cc3)cs2)cc1 5023841 JOWAVVANUNPDBD-KQWNVCNZSA-N 352.394 4.298 30 40 FIEB CCc1ccc(/N=C2/NC(=O)/C(=C/c3cc(OC)ccc3OC)S2)cc1 5376451 UQKJHDHPBXYHQM-PDGQHHTCSA-N 368.458 4.158 30 40 FIEB C#CCOc1ccc([C@@H]2NN=C(c3ccccc3)S2)cc1Br 5826411 HMTQQQLCAMEVIO-QGZVFWFLSA-N 373.275 4.158 30 40 FIEB C=CCOc1ccccc1/C=C1/SC(Nc2ccc(F)cc2)=NC1=O 6856116 XZNJETPCWDKAQP-SFQUDFHCSA-N 354.406 4.473 30 40 FIEB Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc(N2CCOCC2)cc1 13125944 ZZXWCDGOWPXDAS-RGVLZGJSSA-N 351.233 4.286 30 40 FIEB CCc1ccc2c(c1)/C(=N/Nc1nc(-c3ccccc3)c(C)s1)C(=O)N2 13857162 OIJORKFCPIZURE-UHFFFAOYSA-N 362.458 4.449 30 40 FIEB Cc1ccc(Nc2ccccc2NS(=O)(=O)c2cccc(C#N)c2)cc1 24101397 YEFMRALBHRXUNO-UHFFFAOYSA-N 363.442 4.411 30 40 FIEB CCc1ccccc1-n1c(C)cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)c1C 408751127 WVZJZKZUVXCQDJ-UUYOSTAYSA-N 363.421 4.406 30 40 FIEB CC1=NOC(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1 408944195 UALPYZWADGXYFZ-MHWRWJLKSA-N 372.218 4.344 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(F)cc2)C[C@H]1c1ccc(F)cc1 4119629 NUWVCJVPVQOPRQ-AZUAARDMSA-N 356.368 4.284 30 40 FIEB CC1(C)CC(=O)C([C@@H]2C3=C(CC(C)(C)CC3=O)Oc3ccccc32)=C(N)C1 4729750 NKILYIIEQDRTPG-LJQANCHMSA-N 365.473 4.408 30 40 FIEB COc1ccc(-c2n[nH]cc2/C=N/Nc2ccc3ccccc3n2)c(OC)c1 5335238 NPXUXGOLAXYZMO-WSDLNYQXSA-N 373.416 4.088 30 40 FIEB O=C1C[C@H](c2ccccc2)CC2=C1[C@H](/C=C/c1ccccc1)n1ncnc1N2 5390576 JCOWSASSMIDHRN-OUFALPRKSA-N 368.440 4.359 30 40 FIEB CCCC(=O)Nc1ccc(-c2csc(N/N=C/c3ccccn3)n2)cc1 6655494 BEOXASJDKDWKGZ-CIAFOILYSA-N 365.462 4.390 30 40 FIEB C=CCO[C@@H]1Oc2ccc(Cl)cc2C(=O)/C1=C/Nc1ccc(O)cc1 6692258 SGGNYSSDMJJHAO-JVCXIRSZSA-N 357.793 4.145 30 40 FIEB COc1ccc(OC)c(C(=O)/C=C/c2cc(Br)cs2)c1 13137371 OTSGPBMTGZQQAM-SNAWJCMRSA-N 353.237 4.424 30 40 FIEB N#Cc1ccccc1OCC(=O)N1c2ccccc2OC[C@@H]1c1ccccc1 21181179 VKHOZUUCYUGOEY-HXUWFJFHSA-N 370.408 4.104 30 40 FIEB Cc1ccc([C@H](CNc2oc(-c3ccccc3C)nc2C#N)N(C)C)o1 72238480 FJWPRBGXCQLDLB-KRWDZBQOSA-N 350.422 4.138 30 40 FIEB COc1cc(OC)c(OC)cc1/C=C/C(=O)c1nc2ccc(Cl)cc2[nH]1 95959605 YECSHSODRDREGC-QPJJXVBHSA-N 372.808 4.138 30 40 FIEB CCCCCCCCOc1ccc(/C=N/N=C2\NC(=O)[C@H](C)S2)cc1 97959795 MZRAHDHKAQEWML-AUQXIXNCSA-N 361.511 4.367 30 40 FIEB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(C(C)=O)=CC[C@H]4[C@@H]3C[C@@H]3O[C@@]32C1 118917476 UYNAMKNNUDDKNG-ZFNWETCLSA-N 372.505 4.217 30 40 FIEB C=CCc1cc(C(=O)N[C@@H](CC)c2ccc(OC)c(OC)c2)ccc1OC 218659391 YVNXWAWMUHXVJA-SFHVURJKSA-N 369.461 4.322 30 40 FIEB C=CCN(c1ccc(CC#N)cc1)S(=O)(=O)c1ccc2ccccc2c1 225056002 RUOLHLXKFHBQBD-UHFFFAOYSA-N 362.454 4.287 30 40 FIEB COc1ccc2ccc(OC)c(/C=N/OCc3cccc([N+](=O)[O-])c3)c2c1 408592633 NCCNOXSVGVUVMD-CIAFOILYSA-N 366.373 4.316 30 40 FIEB O=C(c1ccc2c(c1)CCO2)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575242691 GJOMWEGVHCIFMO-UHFFFAOYSA-N 366.179 4.272 30 40 FIEB CCOc1cc(C=C2C(=O)c3ccccc3C2=O)c(Br)cc1O 672736 YZGAYJFENQFBOB-UHFFFAOYSA-N 373.202 4.016 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(C)cc2)C[C@H]1c1ccc(OC)cc1 4919960 HZIDTNRPWCDAIC-RBBKRZOGSA-N 364.441 4.323 30 40 FIEB O[C@H](/C(=N/Nc1ncnc2ccccc12)c1ccccc1)c1ccccc1 6087929 QHYHCXLVIOFPIX-VQLSHFFXSA-N 354.413 4.180 30 40 FIEB Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)c(Br)c1 8735027 CSAQTDYOGGMHMQ-GFCCVEGCSA-N 359.223 4.035 30 40 FIEB Cc1cccc(/C=C2\Oc3cc(OCC(=O)OC(C)(C)C)ccc3C2=O)c1 13656532 ARCIBVBWZSNFAK-ODLFYWEKSA-N 366.413 4.332 30 40 FIEB Cc1ccc(/C=N/N=C2\S[C@@H](C)C(=O)N2Cc2ccc(F)cc2)c(C)c1 33912496 XMKWKFDLZXGMOH-DQJNUCSISA-N 369.465 4.297 30 40 FIEB Sc1nnc(-c2cccs2)n1/N=C/c1cc(Br)cs1 36611484 PZWYBSDQVRUTMT-WLRTZDKTSA-N 371.310 4.002 30 40 FIEB C=CCN(C)Cc1ccc(C(=O)Nc2ccc(Oc3ncccn3)cc2)cc1 83859378 OXKSYRBOTVRWCA-UHFFFAOYSA-N 374.444 4.139 30 40 FIEB CCOC(=O)c1ccc(/N=C/c2ccc(N(CCC#N)CCC#N)cc2)cc1 103942187 CDXOCXGRPWTQKC-KOEQRZSOSA-N 374.444 4.248 30 40 FIEB CC(C)(C)c1cc(/C=N/N2C(=O)CSC2=S)cc(C(C)(C)C)c1O 408534644 TZEOVGBIZAGQSD-DJKKODMXSA-N 364.536 4.181 30 40 FIEB C=CCCN1C(=O)N(c2cc(C)ccc2C)S(=O)(=O)c2ccccc21 1889102667 HCDSZXJGDZLWNW-UHFFFAOYSA-N 356.447 4.015 30 40 FIEB COC(=O)c1ccccc1Sc1nc(C)cc(C(F)(F)F)c1C#N 1393114 NJPKAEAYBKLZDC-UHFFFAOYSA-N 352.337 4.218 30 40 FIEB O=C(ONC(=O)c1sc2cc(F)ccc2c1Cl)c1ccccc1F 3229613 HJJRNSHHICLDPU-UHFFFAOYSA-N 367.760 4.335 30 40 FIEB COc1cc(Br)cc(/C=N/c2sc(C)c(C)c2C#N)c1O 4150680 BQRROOLUGNAETA-CNHKJKLMSA-N 365.252 4.464 30 40 FIEB O=C(Nc1ccccc1)c1ccc(N/N=C/c2ccccc2)c([N+](=O)[O-])c1 5734845 ZWZBKOBIGVNIRJ-KGENOOAVSA-N 360.373 4.293 30 40 FIEB O=C(/C=C/c1ccc(C(F)(F)F)cc1)c1cccc(N2CCOCC2)c1 11334576 MGVYYAVYPADBAM-RMKNXTFCSA-N 361.363 4.438 30 40 FIEB O=C1N/C(=N/c2ccccc2Br)S/C1=C/c1cccs1 12032487 CKPLFQBZXWIKTQ-XYOKQWHBSA-N 365.277 4.402 30 40 FIEB COc1cc(C(=O)/C=C/c2ccc(OCc3cscn3)cc2)ccc1O 12756973 BQWMPWRUNHZQLY-XBXARRHUSA-N 367.426 4.332 30 40 FIEB N#Cc1c(COC(=O)CCc2nc3ccccc3s2)cn2ccccc12 14728658 VJCGXGGGIFUMRS-UHFFFAOYSA-N 361.426 4.097 30 40 FIEB CCOc1cc(/C=C2/S/C(=N\c3ccc(CC)cc3)NC2=O)ccc1O 16161413 GMUDNMLSMMWWAU-LDADJPATSA-N 368.458 4.245 30 40 FIEB CC(C)(C)C(=O)Nc1sc2c(c1C#N)CCN(Cc1ccccc1)C2 23153765 RCOFVWXRJOYQQT-UHFFFAOYSA-N 353.491 4.163 30 40 FIEB C=CCOc1cccc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1 39772243 QPINDVIMNILCRW-UHFFFAOYSA-N 368.452 4.241 30 40 FIEB Cc1ccccc1CO/N=C(/N)c1ccc(Oc2ccc(F)cc2)nc1 63509925 JFWDOFRPJZBPDF-UHFFFAOYSA-N 351.381 4.159 30 40 FIEB C=CCOc1ccc(NS(=O)(=O)c2ccc3cc(OC)ccc3c2)cc1 224130911 WYVCIFYYSQDCDA-UHFFFAOYSA-N 369.442 4.214 30 40 FIEB Cc1sc(NC(=S)NC(=O)c2cccc(OC(C)C)c2)c(C#N)c1C 408627579 LVUZBTFYXRLMMH-UHFFFAOYSA-N 373.503 4.151 30 40 FIEB O=S(=O)(NCc1ccc(/C=N/c2cccc(Cl)c2)o1)c1ccccc1 408995825 FBNVWVNAXSECNC-UDWIEESQSA-N 374.849 4.162 30 40 FIEB CCOc1ccccc1Oc1c(C)oc2cc(OCC#N)ccc2c1=O 2329102 ZCMVVIJYFYAGRT-UHFFFAOYSA-N 351.358 4.195 30 40 FIEB biogenic O=C1C[C@H](c2ccc(C(F)(F)F)cc2)C2=C(O1)C(=O)c1ccccc1C2=O 4751354 KZRPOIQLZXEILQ-CQSZACIVSA-N 372.298 4.069 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(C)cc2)C[C@H]1c1ccc(OC)cc1 4919966 HZIDTNRPWCDAIC-UNMCSNQZSA-N 364.441 4.323 30 40 FIEB COc1cc(/C=C/C(=O)Nc2ccc3ccccc3c2)ccc1OCC#N 6640623 ZKTNCUMGFKONNY-YRNVUSSQSA-N 358.397 4.403 30 40 FIEB COc1cccc(-c2nnc(S[C@@H](C)C#N)n2-c2ccc(C)cc2)c1 6865501 WNSFCVRUFYUTAZ-AWEZNQCLSA-N 350.447 4.256 30 40 FIEB Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1cccc(C#N)c1 9954472 DCPJNZIXOSYDQJ-UHFFFAOYSA-N 351.387 4.026 30 40 FIEB O=C(C[n+]1cc(-c2ccccc2)n2c1CCC2)Nc1cccc2ccccc12 13768486 GULJQYHYIJUFBL-UHFFFAOYSA-O 368.460 4.181 30 40 FIEB CCc1ccc(/N=C/c2cc(Br)c(N3CCOCC3)o2)cc1 59679317 QBPFYQVQTBLMNK-XDHOZWIPSA-N 363.255 4.192 30 40 FIEB COc1ccc(SCC2CCN(C(=O)c3cccc(C#N)c3)CC2)cc1 85472346 NXKQTSSKAVBVCJ-UHFFFAOYSA-N 366.486 4.211 30 40 FIEB O=C(/C=C/c1cnn(Cc2ccccc2Cl)c1)c1cccc([N+](=O)[O-])c1 95469795 CESGFLKQHMHATC-CMDGGOBGSA-N 367.792 4.389 30 40 FIEB C=CCSc1nc2n(n1)[C@@H](c1ccc(OC)cc1)C1=C(O)CCCC1=N2 101324185 ZVZCATIMXHVREJ-KRWDZBQOSA-N 368.462 4.236 30 40 FIEB C=C(C)COc1cccc(C(=O)NCCCc2ccc(OC)c(OC)c2)c1 219791465 KXVZEYDOLJEPLI-UHFFFAOYSA-N 369.461 4.021 30 40 FIEB CCCOc1ccc(/C=N\OCC(=O)Nc2ccc(C)cc2)cc1Cl 409378283 OMRZGUOWBUZHNL-MTJSOVHGSA-N 360.841 4.426 30 40 FIEB C=CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1cccc(Cl)c1 2705547 ZZALWUYOZMGUEZ-OAHLLOKOSA-N 359.834 4.166 30 40 FIEB CC1(C)Cc2c(sc(NC(=O)c3ccc(F)cc3)c2C#N)C(C)(C)N1 3222655 CBNVLDSEKBTHGE-UHFFFAOYSA-N 357.454 4.171 30 40 FIEB CCSc1nc2n(n1)[C@@H](c1sccc1C)C1=C(CC(C)(C)CC1=O)N2 4436391 AXPOCQYZRLOBSA-CQSZACIVSA-N 374.535 4.418 30 40 FIEB CC(=O)C1=C(Nc2ccccc2)C[C@@](C)(O)[C@@H](C(C)=O)[C@H]1c1ccccc1 4794766 FEAUWCGFLYHOEV-RJGXRXQPSA-N 363.457 4.085 30 40 FIEB C[C@H]1S/C(=N/N=C/c2ccco2)N(Cc2cccc3ccccc23)C1=O 4935877 QDNYYBSBHHRRTN-PYQFKKROSA-N 363.442 4.287 30 40 FIEB C/C(=N\Nc1c(Cl)c(Cl)nc(C(=O)O)c1Cl)c1ccc(O)cc1 6686400 GHOFCLHZVHUIDP-KPSZGOFPSA-N 374.611 4.282 30 40 FIEB CCOc1ccc(CC(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1 7614670 RTHPWQPWEAPVEH-UHFFFAOYSA-N 363.442 4.262 30 40 FIEB COc1ccc(CNC(=O)Nc2ccc(Oc3ncccc3C#N)cc2)cc1 12546011 AGTNVHLZMRYNHK-UHFFFAOYSA-N 374.400 4.076 30 40 FIEB CCCC/C(O)=N/S(=O)(=O)c1ccc(/N=N/N2CCCCC2)cc1 17991410 NUYUCDWEWQFJIV-HTXNQAPBSA-N 352.460 4.007 30 40 FIEB CCOC(=O)C1=C(CC)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1 19314513 NPQSWRYGJGMDMN-SFHVURJKSA-N 353.462 4.244 30 40 FIEB Cc1ccc(-c2cc(-c3cccc(Br)c3)c(C#N)c(=O)[nH]2)o1 55104069 CXNFNPQHNVZCQX-UHFFFAOYSA-N 355.191 4.245 30 40 FIEB CN(C)c1ccc(/C(N)=N/OCc2csc(C3CCCCC3)n2)cc1 65947945 DYJDIOROIBVKMF-UHFFFAOYSA-N 358.511 4.094 30 40 FIEB O=C(Nc1cccc(C(F)(F)F)c1)O[C@H]1C[C@H]2C[C@@H]1[C@H]1C[C@H]3O[C@@H]3[C@H]21 100818671 YIEKQZZNLCOSAB-FXRFWABVSA-N 353.340 4.066 30 40 FIEB CCCCCCCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccco1 102414481 CILQFTBJDLJFRD-GOSISDBHSA-N 373.449 4.084 30 40 FIEB COc1cc(N2CCCC2)c(OC)cc1/C=N\c1cc(C(=O)O)ccc1C 409105159 GXLQDCFCYCRFBU-XKZIYDEJSA-N 368.433 4.061 30 40 FIEB O=C1/C(=N\c2cccc(F)c2)c2ccccc2N1CN1CCCCCC1 3067980 OXUHNFBXJHWJLW-ATJXCDBQSA-N 351.425 4.127 30 40 FIEB COc1ccc2c(c1)/C(=N/OC(=O)C13CC4CC(CC(C4)C1)C3)CCC2 4892743 YBTZFGRKVMVVTC-BSYVCWPDSA-N 353.462 4.495 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(C)cc2)C[C@@H]1c1ccc(OC)cc1 4919968 HZIDTNRPWCDAIC-IFMALSPDSA-N 364.441 4.323 30 40 FIEB Cc1ccc([N+](=O)[O-])cc1/N=C(/c1ccc([N+](=O)[O-])cc1)N1CCCCC1 5417151 ALXFRNYVMVAXEL-VXPUYCOJSA-N 368.393 4.376 30 40 FIEB N#Cc1ccc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)cc1 12226319 JAIJBYFWJIZCEG-UHFFFAOYSA-N 373.334 4.178 30 40 FIEB N#Cc1ccc(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)cc1 12766694 YZTYLAHHFZWLCL-UHFFFAOYSA-N 354.369 4.256 30 40 FIEB Cc1cc(C)cc(/N=C2\NC(=O)/C(=C\c3ccc(C)c([N+](=O)[O-])c3)S2)c1 13546832 ORFOBVQXAYFIJR-LICLKQGHSA-N 367.430 4.412 30 40 FIEB CCc1ccc(/N=C2\C(=O)N(CN3CCC[C@@H](C)C3)c3ccccc32)cc1 16161417 WXVQNXPCUMIBKR-KAMJJXHCSA-N 361.489 4.406 30 40 FIEB COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)/C(=C/c2ccc(C)cc2)C1=O 59516323 CHLJJACJYYYBQG-DEDYPNTBSA-N 361.441 4.489 30 40 FIEB CCC(=O)Oc1oc(-c2ccccc2)nc1/C=N/c1ccccc1OC 100155564 BFCLPUDDRHUDRX-FYJGNVAPSA-N 350.374 4.416 30 40 FIEB COC(=O)c1ccc(-c2ccc(/C=N\Nc3ccc([N+](=O)[O-])cc3)o2)cc1 100279109 NUDRSMQNRVEATL-NDENLUEZSA-N 365.345 4.087 30 40 FIEB COc1cc(/C=C2/S/C(=N/c3ccccc3)NC2=O)cc(Cl)c1OC 113830889 OEUSOWMCHNIJGZ-XNTDXEJSSA-N 374.849 4.249 30 40 FIEB O=C1/C(=C/c2cccc(F)c2)Oc2c1ccc(O)c2CN1CCCCC1 2213392 HALKDVHNXKKKGP-UNOMPAQXSA-N 353.393 4.133 30 40 FIEB biogenic COc1cc(/C=N/Nc2ccnc3cc(Cl)ccc23)cc(OC)c1O 5611508 AXJREWBPBYUQNT-UFFVCSGVSA-N 357.797 4.057 30 40 FIEB C=CCn1cnnc1S[C@@H](C)C(=O)N(CC)c1cccc2ccccc12 7736956 NVLUSIYLLPAWIH-HNNXBMFYSA-N 366.490 4.151 30 40 FIEB C=C(C)CN(CC)C(=O)Cn1c(NCc2ccccc2)nc2ccccc21 7985747 KPRRHSQYTMGFRL-UHFFFAOYSA-N 362.477 4.073 30 40 FIEB C=CCOc1c(Cl)cc(CNCCc2ccc(OC)cc2)cc1OC 8474308 XWLBYJOFDJZPCK-UHFFFAOYSA-N 361.869 4.254 30 40 FIEB Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)N2CCCCCC2)n1 12526792 RJCSJVKYIYBPTN-LBPRGKRZSA-N 371.428 4.164 30 40 FIEB COc1cccc(/C=C2\S/C(=N/c3cccc(Cl)c3)NC2=O)c1OC 13711794 JWMVCYHLQQFOJC-DHDCSXOGSA-N 374.849 4.249 30 40 FIEB CCOC(=O)[C@H](C)Sc1nc2c(c(-c3cccs3)c1C#N)CCC2 17355356 WXWODNQEABQKBM-NSHDSACASA-N 358.488 4.214 30 40 FIEB C=CCOc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 30940546 HOJMRDDPUPFGCS-GOSISDBHSA-N 368.452 4.241 30 40 FIEB CCCC/N=C1\S/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N1CCCC 35042051 KASCABFGVJANIK-XLTGVJEBSA-N 361.467 4.467 30 40 FIEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\N1CCCC1)C2=O 118913836 BLPWZFDTYUVONX-YEZZEHMWSA-N 369.549 4.469 30 40 FIEB CC(C)(C)OC(=O)N(Cc1ccc(F)cc1C#N)C(=O)OC(C)(C)C 2362803514 HPKDUDVYQSTDAC-UHFFFAOYSA-N 350.390 4.370 30 40 FIEB C=CCOc1ccc(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)cc1 2594511 IXTXXTYRWJCVDJ-SFQUDFHCSA-N 354.406 4.282 30 40 FIEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(F)cc1 4684719 RLDQEOGEESWXRN-LJQANCHMSA-N 363.392 4.194 30 40 FIEB COc1ccc(CN/N=C/c2cn(C(C)C)c3ccccc23)cc1OC 20196615 YAJKRYYCDJTWRW-YDZHTSKRSA-N 351.450 4.363 30 40 FIEB Cc1ccc(C)c(NC(=O)[C@@H](C)Sc2nc(C3CC3)nc(C)c2C#N)c1 32770790 XISDWGQPVCVWQG-CQSZACIVSA-N 366.490 4.270 30 40 FIEB N#C[C@@H](C(=O)c1cc2c(s1)CCC2)c1nc(O)c2ccc(Cl)cc2n1 84459308 LTEJIPSQOCYEHT-LBPRGKRZSA-N 369.833 4.029 30 40 FIEB COc1cc2c(cc1OC)C(=O)/C(=C\c1nc3ccccc3n1C(C)C)C2 95474252 RCNFZZILOKNZIF-PTNGSMBKSA-N 362.429 4.457 30 40 FIEB Cc1ccc(Cl)cc1N/N=C1\C(=O)Nc2ccc(Br)cc21 223763564 BQXHHTPDNJRKNT-UHFFFAOYSA-N 364.630 4.179 30 40 FIEB CCOc1ccccc1/C=C1\SC(=Nc2cc(C)ccc2OC)NC1=O 408875132 GDLZLAZCXQIDLZ-PDGQHHTCSA-N 368.458 4.294 30 40 FIEB CCOc1ccc(N=C2NC(=O)/C(=C\c3ccccc3OCC)S2)cc1 408950021 DCUGKVVFJLDSBF-QGOAFFKASA-N 368.458 4.376 30 40 FIEB COc1ccc(/N=C/c2ccc(OCC(=O)OC(C)C)cc2)cc1Cl 409187094 LXFWVCYCPNYHPI-SRZZPIQSSA-N 361.825 4.430 30 40 FIEB CCN(CC)c1ccc(/C=N/c2sc3c(c2C(N)=O)CCCC3)c(O)c1 818410 SELWHQIWWISFOR-WSDLNYQXSA-N 371.506 4.028 30 40 FIEB COc1ccccc1NC(=O)c1ccc(NC(=O)c2ccc(C#N)cc2)cc1 7265112 YBSXIOBKAHYSCZ-UHFFFAOYSA-N 371.396 4.071 30 40 FIEB C[C@@H](Oc1cccc(C#N)c1)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 12798592 YUATYNUKZYICHT-SNVBAGLBSA-N 366.751 4.219 30 40 FIEB N#Cc1ccc(NC(=O)CN2CCc3sccc3[C@H]2c2ccccc2)cc1 12927045 LKTNODCHEGRJRX-JOCHJYFZSA-N 373.481 4.206 30 40 FIEB CC(C)/N=C(\c1cccs1)N(Cc1ccccc1)C1CCN(C)CC1 57991393 WPTINNJWKGVMQE-QURGRASLSA-N 355.551 4.500 30 40 FIEB Cc1cccc(C)c1-n1nnnc1C(C)(C)/N=C/c1ccc(Cl)cc1 101724261 PSHIZSPLVDHZNW-CIAFOILYSA-N 353.857 4.287 30 40 FIEB C=C(C)CSc1nnc(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)s1 103923210 VPLQHUSFFOOPPR-FRRDWIJNSA-N 371.597 4.239 30 40 FIEB C=CCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3)cc2)C1=O 409095013 GHVZKJQERAQABL-QGOAFFKASA-N 351.427 4.488 30 40 FIEB Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2ccc(F)cc2)n1 803941 DGQBUPVKMULDGJ-UHFFFAOYSA-N 369.343 4.150 30 40 FIEB CC(=O)C1=C(C)N(C)C2=C(C(=O)c3ccccc32)[C@H]1c1ccc([N+](=O)[O-])cc1 988617 BVLOFQRJXBJNPB-IBGZPJMESA-N 374.396 4.094 30 40 FIEB Cc1nc2ccccc2c(=O)n1/N=C/c1ccc(N(C)c2ccccc2)cc1 3261115 VTNOOFHCCNVNDX-LFVJCYFKSA-N 368.440 4.355 30 40 FIEB N#C/C(=N\Nc1ccccc1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 4175403 IGYQDKMKSFNZHR-PXLXIMEGSA-N 367.365 4.197 30 40 FIEB COc1cc(C#N)ccc1OC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 7780348 KHEVBCCBMZKPCW-CYBMUJFWSA-N 360.413 4.392 30 40 FIEB Cc1ccc(-n2c(SC[C@@H](C#N)CCC#N)nnc2-c2ccncc2)cc1 12523352 PMOQPLJUEBXIRO-MRXNPFEDSA-N 374.473 4.173 30 40 FIEB C#CCOc1ccc(Br)cc1/C=N/c1oc(C)c(C)c1C#N 14134478 MUXNRMBLVLEMEA-KEBDBYFISA-N 357.207 4.293 30 40 FIEB CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(C)cc1 23375110 UUSVEGLSWRDKOD-LJQANCHMSA-N 359.425 4.127 30 40 FIEB N#Cc1ccc(CCC(=O)N(Cc2ccco2)Cc2cccs2)cc1 24461589 DWEFJUWSIBLMGS-UHFFFAOYSA-N 350.443 4.374 30 40 FIEB N#Cc1ccc(Cc2cnc(NC(=O)CSc3ccccc3)s2)cc1 25053506 NIBVXFUFZSOKSI-UHFFFAOYSA-N 365.483 4.336 30 40 FIEB CC/C=C/CC1=C(CCCC[C@@H](CCC(=O)O)OC(C)=O)CCC1=O 31163942 QWDCJWDUPSTHHK-BDUNBXCCSA-N 350.455 4.359 30 40 FIEB biogenic,in-vitro CCOC(=O)[C@@H]1C(=O)C=C(c2ccsc2)C[C@H]1c1ccccc1OC 69374825 FYEOJSDUEKFCBA-LPHOPBHVSA-N 356.443 4.076 30 40 FIEB N#Cc1ccccc1CN1C(=O)S/C(=C/c2c[nH]c3ccccc23)C1=O 409164688 MCNUZYYWUVCZJH-GIJQJNRQSA-N 359.410 4.276 30 40 FIEB Cc1c(C#N)c2ccccc2n1CC(=O)N1c2ccc(F)cc2CC[C@H]1C 638294 RWTCFIAKFYAXGA-CQSZACIVSA-N 361.420 4.328 30 40 FIEB C=CCSc1nc2ccccc2n1Cc1nnc(-c2cccs2)o1 3418534 MIKQEOFKBDUYQN-UHFFFAOYSA-N 354.460 4.474 30 40 FIEB C=CCOc1ccccc1/C=C1\N=C(c2cc(Cl)ccc2OC)OC1=O 4664131 DJJHFBCGIXNRPT-WJDWOHSUSA-N 369.804 4.258 30 40 FIEB N#Cc1ccc(C(=O)O[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)cc1 6637658 FBLKVWCXGKCSQJ-FQEVSTJZSA-N 374.371 4.234 30 40 FIEB CCOc1cccc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)c1OC 15016040 HXTPNTDNURLPSE-WJDWOHSUSA-N 372.421 4.125 30 40 FIEB CCc1noc(C)c1C(=O)N1CCS/C1=N\c1cccc(Cl)c1C 18045546 HZLGHIJQULTWID-ZPHPHTNESA-N 363.870 4.384 30 40 FIEB CCOc1ccc(/C(C)=N/NCc2ccc(OC)c(OC)c2)cc1Cl 20196756 SYUJUTAQFSQZRC-LPYMAVHISA-N 362.857 4.270 30 40 FIEB C=CCOc1c(Cl)cc(/C=N/NCc2ccccc2OC)cc1OC 20763035 MMOCOYKKTUVXFS-CIAFOILYSA-N 360.841 4.046 30 40 FIEB CCCNc1c(N/C(O)=N/Cc2ccccc2)c(=O)oc2ccccc12 28048684 LUPGCSWNRDYQPF-UHFFFAOYSA-N 351.406 4.141 30 40 FIEB CCOc1ccc(CCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 28250291 UXLQHGUFVZGXAX-UHFFFAOYSA-N 354.475 4.469 30 40 FIEB CN(C)c1ccc(/C=N\Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 31776216 WTNRSUHKBFJOAK-ODLFYWEKSA-N 367.434 4.230 30 40 FIEB Cc1cc(C)n(/N=C/c2ccc(-c3cccc(Cl)c3)o2)c(=O)c1C#N 48342749 QIJFNWJYOVNBNA-SSDVNMTOSA-N 351.793 4.132 30 40 FIEB Cc1c2c(cc3c1O/C(=C/c1ccccc1F)C3=O)CN(C1CC1)CO2 57176046 TYOYZLIZFRMXTJ-GIJQJNRQSA-N 351.377 4.065 30 40 FIEB C=CC/N=C/c1c(-c2ccccc2)[nH]n(-c2nc3ccccc3s2)c1=O 101193821 JHQFQKKRENSXBW-FYJGNVAPSA-N 360.442 4.047 30 40 FIEB Cc1ccccc1Cn1nc(OCc2cccc3ccccc23)c(C#N)c1N 225844717 MAGTXVPXTJKFFG-UHFFFAOYSA-N 368.440 4.426 30 40 FIEB CCOc1cccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c1 409400763 AVHKGHXKORMLJT-UHFFFAOYSA-N 369.424 4.344 30 40 FIEB C=CCO[C@@H]1CC2(CCN(C(=O)c3cc[nH]c3)CC2)c2cc(C)ccc21 2055812436 VJCNHXJORVXCAC-HXUWFJFHSA-N 350.462 4.145 30 40 FIEB N#CCCCSc1nnc(COc2ccccc2F)n1-c1ccccc1 6128969 CZMHUIZQGFIXAB-UHFFFAOYSA-N 368.437 4.381 30 40 FIEB CCOc1ccc(/C=C/C(=O)c2cnn(-c3ccccc3)c2C)cc1OC 12815567 CBOZJVNFVPJDKR-ZRDIBKRKSA-N 362.429 4.484 30 40 FIEB COc1ccc(C(=O)/C(=N\Nc2ccccc2)c2ccc(OC)cc2)cc1 16953178 CGAHFXXGUKHVGG-FLFQWRMESA-N 360.413 4.403 30 40 FIEB N#Cc1c(NC(=O)CC2(CC(=O)O)CCCCC2)sc2c1CCCC2 24151064 PRUUILOBIGVVLP-UHFFFAOYSA-N 360.479 4.252 30 40 FIEB COc1cc([C@H](C)NC(=O)N2CCC(C#N)CC2)ccc1OC1CCCC1 57991730 ZKIPURWBWWDDNH-HNNXBMFYSA-N 371.481 4.023 30 40 FIEB C#CCOc1c(Cl)cc(CNc2ccc([N+](=O)[O-])cc2)cc1OCC 408609026 NMYINIWFFXIXDK-UHFFFAOYSA-N 360.797 4.271 30 40 FIEB O=[N+]([O-])c1cc(Br)c(O)c(/C=N\c2ccc(Cl)cc2O)c1 409104002 YAAJVMCPONRTJN-SOFYXZRVSA-N 371.574 4.173 30 40 FIEB COc1cc(F)cc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1 575242665 DSPGKBAIKRSNHH-UHFFFAOYSA-N 372.158 4.485 30 40 FIEB O/N=C1\CCC=CCCC=CCC[C@H]1Sc1nnnn1-c1ccccc1 1559624579 TWXXYOHCSZHWHQ-TVXWCCRESA-N 369.494 4.420 30 40 FIEB C=C[C@]1(O)CC[C@@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@@H](OC(C)=O)CC[C@]5(C)[C@H]3CC[C@@]21C 2038319086 RSBPOYAJCVXJON-LLXSPFMISA-N 374.521 4.009 30 40 FIEB N#CC(C#N)(CCc1ccc([N+](=O)[O-])cc1)CCc1ccc([N+](=O)[O-])cc1 1666519 HBKQQUIQOSOJDV-UHFFFAOYSA-N 364.361 4.102 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(OC)c2)C[C@H]1c1cccc(F)c1 4919176 QCGHJAJBYGGGBW-FPOVZHCZSA-N 368.404 4.154 30 40 FIEB C=CCn1cnnc1SCc1cc(=O)oc2cc(C)c(C(C)C)cc12 5798463 MJFJTVQHAOXJJM-UHFFFAOYSA-N 355.463 4.295 30 40 FIEB CCC[C@H]1CCc2c(sc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)O)c2C#N)C1 5952210 BRINQOKNWFCARM-QEJZJMRPSA-N 374.506 4.354 30 40 FIEB C=CCOc1ccccc1C(=O)Nc1nc2ccc(NC(C)=O)cc2s1 12913104 IPMVHAYTSPUWOZ-UHFFFAOYSA-N 367.430 4.072 30 40 FIEB COc1ccccc1-c1ccc(C#N)c(Sc2ncccc2[N+](=O)[O-])n1 13575774 JAXBIIVYSICUIN-UHFFFAOYSA-N 364.386 4.083 30 40 FIEB C=CCN1C(=O)N/C(=C/c2cn(Cc3cccc(C)c3)c3ccccc23)C1=O 39556435 WWMQEINUNRODOF-DEDYPNTBSA-N 371.440 4.077 30 40 FIEB C[C@@H]1CCc2c(sc(NC(=O)c3ccc(Br)o3)c2C#N)C1 995700 MFDNYBUYJWOWAZ-MRVPVSSYSA-N 365.252 4.352 30 40 FIEB NC(=O)c1c(/N=C/c2c(O)ccc3ccccc23)sc2c1CCCC2 3114481 MZPLFZNYYNXGPB-SSDVNMTOSA-N 350.443 4.335 30 40 FIEB CC(=O)c1ccc(/N=C/c2cc(C)n(NC(=O)c3ccccc3)c2C)cc1 8334590 SLOLHHZLIBHCHE-OEAKJJBVSA-N 359.429 4.442 30 40 FIEB CCSc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C1=C(C[C@H](C)CC1=O)N2 14165098 CWSDFBWQPZHYFU-MGPLVRAMSA-N 374.897 4.312 30 40 FIEB CN1/C(=C\C(=O)COC(=O)c2ccc(F)cc2F)C(C)(C)c2ccccc21 18095894 CFXDWHGRRYKCQU-ODLFYWEKSA-N 371.383 4.002 30 40 FIEB Cc1nnc(N2CCC(c3nc4cc(Cl)ccc4o3)CC2)c(C#N)c1C 40153767 DGCVGLGGRNOSEL-UHFFFAOYSA-N 367.840 4.144 30 40 FIEB C#CCOC(=O)c1ccc2oc(-c3ccccc3Br)nc2c1 73634051 ULOLZYGXOCEJDW-UHFFFAOYSA-N 356.175 4.047 30 40 FIEB CC1=NN(c2ccccc2)C(=O)[C@H]1[C@H](c1ccccc1Cl)C(C#N)C#N 85901859 WIJSAXPPEWLGOQ-MOPGFXCFSA-N 362.820 4.126 30 40 FIEB C=CCC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 95100350 MZIFEJDIBMKKTE-HNNXBMFYSA-N 365.429 4.335 30 40 FIEB C=C(C)COc1cccc(C(=O)NCc2ccc(OC(C)C)c(OC)c2)c1 219785749 LFRFOBPYRMVDSY-UHFFFAOYSA-N 369.461 4.367 30 40 FIEB C=CCN(c1cccc(OC)c1)S(=O)(=O)c1ccc2ccccc2c1 225046896 KPUZCLNTAXPCDL-UHFFFAOYSA-N 353.443 4.230 30 40 FIEB COc1ccc(Cn2nc(Cc3cccc4ccccc34)c(C#N)c2N)cc1 225847971 CEGGGARRHPKRFK-UHFFFAOYSA-N 368.440 4.138 30 40 FIEB N#Cc1ccc(COc2ccc(-c3nc4ccc(C(=O)O)cc4[nH]3)cc2)cc1 256028143 VTLCFBDDBHUFTE-UHFFFAOYSA-N 369.380 4.379 30 40 FIEB CCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3C#N)cc2)C1=O 409072883 NWAQSSZSMPLULB-WOJGMQOQSA-N 364.426 4.193 30 40 FIEB CC1(C#N)N(C(=O)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1 1645102 MQEFBVUAOPDQPO-UHFFFAOYSA-N 367.408 4.234 30 40 FIEB CCCCC(=O)Nc1cccc(/N=C/c2cc(C)cc([N+](=O)[O-])c2O)c1 6396820 IOTRXPWOGIDSAK-UDWIEESQSA-N 355.394 4.488 30 40 FIEB C/C(=N\N=C(/C)[C@@H]1C[C@H](CC(=O)O)C1(C)C)[C@@H]1C[C@H](CC(=O)O)C1(C)C 16889929 XVYLZBKIPPCLTR-UXOZXJCVSA-N 364.486 4.097 30 40 FIEB Cc1ccc(-c2nc(C#N)c(S(=O)(=O)c3ccc(Cl)cc3)o2)cc1 27562245 NGOXPFQVKXXTJI-UHFFFAOYSA-N 358.806 4.008 30 40 FIEB CC(C)c1nc(CO/N=C(/N)c2cccc(CN3CCCCC3)c2)cs1 84631028 FFAATUNHHMAXGO-UHFFFAOYSA-N 372.538 4.090 30 40 FIEB S=C(N/N=C1/C[C@@H](c2ccccc2)Oc2ccccc21)Nc1cccnc1 96708513 UCLBAUUMUPHAKZ-JHMOUWFPSA-N 374.469 4.296 30 40 FIEB COc1ccc([C@@H]2CC(O)=C/C(=N\c3ccc(CC(=O)O)cc3)C2)cc1 104087991 AKYGANLDALJVNW-NLFAIWHDSA-N 351.402 4.414 30 40 FIEB C#CCOC(=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 226327165 XSYHYPHFSJVGDC-UHFFFAOYSA-N 365.212 4.371 30 40 FIEB Cc1cc(C)c(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(Cl)c1 782898 IHFUQCLDRXJHPG-UHFFFAOYSA-N 360.866 4.396 30 40 FIEB Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccccc2)cc1 1438437 QUVNTSWJKGSENO-IBGZPJMESA-N 359.381 4.371 30 40 FIEB Cc1nc(SCC(=O)Nc2ccc(F)cc2)c(C#N)c2c1CCCC2 1471617 LNRRFNAURIUBDL-UHFFFAOYSA-N 355.438 4.010 30 40 FIEB C=CCn1c([C@H]2CC(=O)N(c3cccc(SC)c3)C2)nc2ccccc21 4033606 HJUGGMLDQGLBCR-HNNXBMFYSA-N 363.486 4.465 30 40 FIEB CCNC(=S)N/N=C/c1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C 6870000 ATXPEVMQTGJWGG-LPYMAVHISA-N 356.539 4.210 30 40 FIEB CC[C@H]1S/C(=N\N=C\c2cccs2)N(Cc2ccc(F)cc2)C1=O 33871728 OXASPXZINCQJBR-XBRYESLDSA-N 361.467 4.131 30 40 FIEB CC(C)OCCC/N=C(\O)CCc1ncc(-c2ccc(F)cc2F)o1 40049158 FZFOMGGENQZETE-UHFFFAOYSA-N 352.381 4.324 30 40 FIEB CN1/C(=C\C(=O)C(F)(F)C(F)(F)C(F)(F)F)Sc2ccccc21 100711094 PMXQNJWJEZRAQI-UXBLZVDNSA-N 359.266 4.472 30 40 FIEB C#C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CCC23OCCO3)C1 118915151 VCQVEQNCPAVVLX-QYLGYJGISA-N 358.522 4.137 30 40 FIEB C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OCC)cc1 224582295 XFLDTHHCWOBKQO-UHFFFAOYSA-N 351.855 4.120 30 40 FIEB O=[N+]([O-])c1ccc(/N=C\c2cc(Br)c(Br)o2)cc1 408951684 JPWSJYXZUSNWCO-NSIKDUERSA-N 373.988 4.463 30 40 FIEB Cc1ccc(N/N=C\c2c(C)nn(-c3cccc([N+](=O)[O-])c3)c2C)cc1C 408992394 AZCNQMAUUVEOKW-MTJSOVHGSA-N 363.421 4.460 30 40 FIEB C#CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCC3 2081407 VSYQATWPRZFVCY-UHFFFAOYSA-N 366.511 4.110 30 40 FIEB N#CCCN(C(=O)CSc1nc2ccccc2o1)c1ccccc1F 5033834 MTAVBEZAOSAGFR-UHFFFAOYSA-N 355.394 4.006 30 40 FIEB CCOc1ccc(/C=C2\S/C(=N\c3ccccc3F)NC2=O)cc1OC 5376543 JSQHENVXTDDFEQ-BOPFTXTBSA-N 372.421 4.125 30 40 FIEB Cc1sc2ncnc(N/N=C/c3c(F)c(F)c(F)c(F)c3F)c2c1C 6685256 CZWVUQXIZGMNGU-LTGYVZTRSA-N 372.322 4.450 30 40 FIEB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nc(C)cc(C)c2C#N)c1C 7371393 LVDWIRWSOQLNSO-AWEZNQCLSA-N 355.463 4.081 30 40 FIEB C=CCn1c(SCC(=O)c2ccc(C)cc2C)nnc1-c1cccnc1 14023576 OTNMTYTUHPZAJR-UHFFFAOYSA-N 364.474 4.118 30 40 FIEB N#Cc1ccc(NCc2ccc(OCc3cccnc3)cc2)c([N+](=O)[O-])c1 52187246 NAHKHIYRZBJWKS-UHFFFAOYSA-N 360.373 4.053 30 40 FIEB C=CCN1C(=O)N[C@H](c2ccccc2)C(c2nc(-c3ccccc3)no2)=C1C 70635556 ORTFLQHBEKVAGR-LJQANCHMSA-N 372.428 4.420 30 40 FIEB Cc1cc(C)cc(C/N=C2\NC(=O)/C(=C/c3ccc(N(C)C)cc3)S2)c1 83310526 MBVDNRFUCLSVLB-UNOMPAQXSA-N 365.502 4.130 30 40 FIEB C#CCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(C)c3C)c2C)C1=O 409041459 JLODPPWWXNRFHO-XDHOZWIPSA-N 364.470 4.380 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(Nc2cccc(F)c2)C[C@H]1c1ccccc1 1079999 SYAGWLMWYQBCBM-AZUAARDMSA-N 353.393 4.057 30 40 FIEB CCC[C@@H]1S/C(=N/N=C/c2ccco2)N(Cc2ccc(F)cc2)C1=O 4936755 YCPKIVUMIJASHD-UJCFSEKXSA-N 359.426 4.053 30 40 FIEB Clc1ccccc1CN/N=C/c1cccc(I)c1 8811490 CSHSZSBBZBCXSC-RQZCQDPDSA-N 370.621 4.068 30 40 FIEB CN(C)/C(=N/N=C(\c1ccc(Cl)cc1)N(C)C)c1ccc(Cl)cc1 17105959 YSBNYEKPRGJWCH-KSTNYAOJSA-N 363.292 4.225 30 40 FIEB CN(C(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C1(C#N)CCC1 66335655 XBEVCLLYKNBMBL-UHFFFAOYSA-N 359.769 4.026 30 40 FIEB C[C@@H]1CC[C@H]2C(=O)N(c3ccccc3Oc3ccc(C#N)cc3)C(=O)[C@@H]2C1 108386571 HMZXAWYUUQMUNV-ZTFGCOKTSA-N 360.413 4.276 30 40 FIEB C=CCOC(=O)c1ccc(OC)c(OCc2ccc(F)cc2Cl)c1 216804409 JEYVRVKVVIZDDE-UHFFFAOYSA-N 350.773 4.410 30 40 FIEB Cc1cc(C)nc(Nc2ccc(C(=O)Nc3ccc(CC#N)cc3)cc2)n1 225912954 VCJAXWHQEBPTSV-UHFFFAOYSA-N 357.417 4.155 30 40 FIEB C#CCOc1ccc2ccccc2c1/C=C1/SC(=O)N(CCC)C1=O 409250863 OLBDZACASMBHOO-QGOAFFKASA-N 351.427 4.298 30 40 FIEB C[C@@H]1CCN(Cc2ccc(Cl)cc2C#N)CCN1Cc1ccccc1 1653472406 IRKXTLMDRDDDLC-QGZVFWFLSA-N 353.897 4.308 30 40 FIEB C=CCNC(=O)c1ccccc1NC(=O)Cc1c(Cl)cccc1Cl 3383979 OTSPLJCBESNHPE-UHFFFAOYSA-N 363.244 4.090 30 40 FIEB CCCCOc1ccccc1[C@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)CCC2 3901637 YFKJIKMHVVCAAM-FQEVSTJZSA-N 369.461 4.006 30 40 FIEB C=CCN(CC=C)C(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1 4682110 QMMCWCBIKRUKJY-UHFFFAOYSA-N 367.320 4.406 30 40 FIEB Cc1nc(S[C@H](C)C(=O)Nc2ccc(C#N)cc2)n(CC(C)C)c1C 5152067 YYXLWSWWWKPPRH-OAHLLOKOSA-N 356.495 4.147 30 40 FIEB N#Cc1ccccc1-c1ccccc1C(=O)N[C@H]1CCOc2ccccc21 7280292 USEYKNGKIPFXKM-NRFANRHFSA-N 354.409 4.479 30 40 FIEB COc1ccccc1/N=C1/NC(=O)/C(=C\c2cn(C)c3ccccc23)S1 8417821 SHMPGNDMSCUWQO-WOJGMQOQSA-N 363.442 4.079 30 40 FIEB Cc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1ccc(F)cc1 9318598 QFWQONAGRASPHP-QVKFZJNVSA-N 374.419 4.141 30 40 FIEB CC(C)c1ccc(NC(=O)C[n+]2cc(-c3ccccc3)n3c2CCC3)cc1 13759654 WZOWPOCFUJOJRC-UHFFFAOYSA-O 360.481 4.151 30 40 FIEB O=[N+]([O-])c1cccc(/C=N/OCCOc2c(Cl)cccc2Cl)c1 15315457 ZKFGNNBOSFFTKM-VCHYOVAHSA-N 355.177 4.331 30 40 FIEB C=CCSc1nnc(/N=C(\O)c2ccc(CN3CCCCC3)cc2)s1 21582017 MZBHFRJTVNVBRP-UHFFFAOYSA-N 374.535 4.438 30 40 FIEB CCOc1cc(/C=N/N=c2/[nH]c(-c3ccc(C)cc3)cs2)ccc1OC 59387389 FREKLHVATSPWPE-CIAFOILYSA-N 367.474 4.394 30 40 FIEB O=C(/C=C/c1ccsc1)c1ccccc1NS(=O)(=O)c1ccccc1 95115985 TWVUWAZCCCTSEW-ZHACJKMWSA-N 369.467 4.445 30 40 FIEB N#Cc1ccc(OCc2ccc(Cl)cc2)c(I)c1 216811948 CQXFKEGDOODTCM-UHFFFAOYSA-N 369.589 4.395 30 40 FIEB C=CCOc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CCCC2)cc1 225944903 YSCQSNCMGONWTF-UHFFFAOYSA-N 365.429 4.431 30 40 FIEB Cc1ccc(-n2c(C)cc(/C=N/OCc3cccc([N+](=O)[O-])c3)c2C)nc1 408594042 RQZZCQPLXXKTEH-WSDLNYQXSA-N 364.405 4.256 30 40 FIEB CCN1C(=O)[C@H](Cc2ccc(C)cc2)S/C1=N/c1ccc(OC)cc1 409146868 VIJWPYHHBQENAV-MKSIGINJSA-N 354.475 4.198 30 40 FIEB Cc1cc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)c(C)n1C 409287748 YTFFPYROGFPQTN-UHFFFAOYSA-N 362.477 4.282 30 40 FIEB COc1cc(/C=N/c2ccc(F)cc2)ccc1OCc1ccc(C(=O)O)o1 409384790 DFCSPFXCXMIHIM-SSDVNMTOSA-N 369.348 4.455 30 40 FIEB CCOc1ccccc1[C@H]1C(C(=O)OC(C)C)=C(C)NC2=C1C(=O)CCC2 826282 YFCMXHBCFDWCEC-FQEVSTJZSA-N 369.461 4.005 30 40 FIEB COc1ccccc1NC(=O)CSc1nc2cc(C)ccc2cc1C#N 898922 KULBHBQBRSCFHU-UHFFFAOYSA-N 363.442 4.154 30 40 FIEB CCc1nc(SCC(=O)Nc2ccccc2)c(C#N)c2c1CCCC2 1476127 OYOJSCVOTNXYPT-UHFFFAOYSA-N 351.475 4.125 30 40 FIEB O=C(Nc1ccccc1C(=O)OCC#Cc1ccccc1)c1cccs1 40157158 HXRBRXLOASAULL-UHFFFAOYSA-N 361.422 4.209 30 40 FIEB O=C1/C(=N\Nc2ccccc2)c2ccccc2N1CCCOc1ccccc1 46085188 JPLNKXZBYLJTMD-LVWGJNHUSA-N 371.440 4.319 30 40 FIEB CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@H]2COC(=O)/C=C1\C(=O)[C@]2(C)CC[C@@H]1C2(C)C 100362781 GFUKRGMWZLCMQM-KWWCURQISA-N 372.505 4.123 30 40 FIEB CC1(C)[C@H]2CC[C@@]1(C)[C@H](N1CC(=O)C(c3nc4ccccc4s3)=C1N)C2 103430143 IAFCXJFNXLMOMA-LSWYUMSHSA-N 367.518 4.023 30 40 FIEB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)/C=C/c1c(F)cccc1F 103764018 VSMVUBJFIOMHHI-FEAKQIBJSA-N 364.351 4.360 30 40 FIEB C=CCN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 224859781 KIFHJVSEZUSMBQ-UHFFFAOYSA-N 351.855 4.038 30 40 FIEB C#CCOc1ccc2ccccc2c1/C=C1/S/C(=N/CC)N(CC)C1=O 408930804 CHWDAMKCEHEXNM-KIOXBDSISA-N 364.470 4.164 30 40 FIEB Cc1cccc([C@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ncnn32)c1 5246715 QRYDFAFKCAXGGZ-UTKZUKDTSA-N 356.429 4.002 30 40 FIEB CN1C(=O)/C(=N\Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc21 6049222 VQLGFRGVVNGVEQ-HMAPJEAMSA-N 353.731 4.151 30 40 FIEB C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCc2ccccc21 8156477 ICXKSCVBUSHIEX-AWEZNQCLSA-N 365.502 4.278 30 40 FIEB COc1ccccc1C(=O)Nc1ccc(OCc2ccc(C#N)cc2)cc1 14136360 NVYHNLAONIWJOX-UHFFFAOYSA-N 358.397 4.398 30 40 FIEB CCc1c(C)sc(NC(=O)c2cc(-c3cccc(O)c3)on2)c1C#N 20191328 SCUVIRKOYJGCRB-UHFFFAOYSA-N 353.403 4.104 30 40 FIEB CCCCOc1ccc(C(=O)/C=C/Nc2ccccc2C(=O)OC)cc1 44843044 HRMXDMPWRIPZHT-BUHFOSPRSA-N 353.418 4.461 30 40 FIEB Cc1ccc(OC[C@H](O)CON=C2c3ccccc3-c3ccccc32)cc1 95117240 DAIHRKYOZNTUAH-KRWDZBQOSA-N 359.425 4.184 30 40 FIEB C=CCN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224948609 UQSBBOLHVXANPA-UHFFFAOYSA-N 365.882 4.347 30 40 FIEB Oc1ccc(Br)cc1/C=N/Nc1cccc(Br)c1 4647173 AEJKMXJOPSBXSL-LZYBPNLTSA-N 370.044 4.363 30 40 FIEB O=C(/C=C/c1ccc2c(c1)OCCO2)c1cc(Cl)cc(Cl)c1O 4771370 GLNBFKYBWUXCLZ-HNQUOIGGSA-N 351.185 4.366 30 40 FIEB CC/C(=N\NS(=O)(=O)c1ccc(Cl)cc1)c1cccc(Cl)c1 5385045 CMBWLBLHHLBROO-OBGWFSINSA-N 357.262 4.086 30 40 FIEB Cc1sc2ncnc(S[C@H](C)C(=O)NC3(C#N)CCCCC3)c2c1C 6113398 RFQCGESLMIGMNA-CYBMUJFWSA-N 374.535 4.131 30 40 FIEB O=C(/C=C/c1ccccc1)C(C(=O)NCc1ccccc1)=C1SCS1 6936885 JLHOMXQYQLICHH-VAWYXSNFSA-N 367.495 4.234 30 40 FIEB N#Cc1ccccc1COC(=O)c1ccccc1SC[C@H]1CCCO1 7628069 NFZIMXHLDPJWEH-QGZVFWFLSA-N 353.443 4.186 30 40 FIEB C=C(C)CSc1nnc2nc3c(c(O)n12)[C@@](C)(CC)Cc1ccccc1-3 9357706 BVFJCNDDMIBGDU-FQEVSTJZSA-N 366.490 4.389 30 40 FIEB N#Cc1cc2c(nc1Sc1ccc([N+](=O)[O-])cc1C=O)CCCCCC2 13573882 WHYFSRHMNDZDSM-UHFFFAOYSA-N 367.430 4.484 30 40 FIEB C[C@@](C#N)(NN[C@@](C)(C#N)c1ccc(Cl)cc1)c1ccc(Cl)cc1 19170659 FDDQLIJOZGWMET-ROUUACIJSA-N 359.260 4.265 30 40 FIEB Cn1c(C(=O)Nc2cccc(C#Cc3ccccn3)c2)cc(Cl)c1Cl 32963699 UTGNWOYAQOUVPG-UHFFFAOYSA-N 370.239 4.379 30 40 FIEB N#CCCOC1(C#CCN2CCCC[C@H]2c2cccnc2)CCCCC1 55231603 LVBPXZOJHUJMGA-NRFANRHFSA-N 351.494 4.245 30 40 FIEB biogenic Cc1c(Cl)c(CSc2nc(N)c(C#N)cc2C#N)nc2ccccc12 60583070 XPFVTTIJIOMFSY-UHFFFAOYSA-N 365.849 4.209 30 40 FIEB N/C(=N/OCc1cc(-c2ccccc2)on1)c1cccc(C(F)(F)F)c1 89851125 WCJZHFQPBGEORX-UHFFFAOYSA-N 361.323 4.198 30 40 FIEB N#Cc1ccc(Cl)cc1N/C=C\c1nnnn1-c1ccc2ccccc2c1 100394998 NPBHVNZIDOZIOG-KTKRTIGZSA-N 372.819 4.423 30 40 FIEB CN(NC1=CC(=O)C[C@@H](c2ccccc2)C1)c1ccc(C(F)(F)F)cn1 100946623 CPRSANMVLSEPGD-AWEZNQCLSA-N 361.367 4.072 30 40 FIEB COc1ccc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 101474631 NNTJDSITYZSUGV-UHFFFAOYSA-N 354.168 4.346 30 40 FIEB CCC[C@H](C)NC(=O)CSc1cc(C)c(C#N)c2nc3ccccc3n12 4485067 OXDAQNQYAYQMBB-AWEZNQCLSA-N 366.490 4.065 30 40 FIEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(-c3ccccc3)o2)c([N+](=O)[O-])c1 4737538 LILRECOGHJYYSP-WOJGMQOQSA-N 352.306 4.209 30 40 FIEB N#Cc1ccccc1Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O 5223349 FLFZABLBMQMGIB-UHFFFAOYSA-N 361.401 4.184 30 40 FIEB Cc1nc(SCC(=O)N2CCSc3ccccc32)c(C#N)c(C)c1C 6589832 ZPEKHKMXWUTYMQ-UHFFFAOYSA-N 369.515 4.110 30 40 FIEB C[C@@H]1CC(=O)C2=C(C1)Oc1c(c(=O)[nH]c3ccccc13)[C@@H]2c1ccccc1 9926833 VUITYKVCLXDPEI-BFUOFWGJSA-N 357.409 4.306 30 40 FIEB Fc1cccc(Cl)c1COc1ccc(Cl)cc1/C=N\n1cnnc1 408973404 AQFFHBHLRPCRNF-HOEBFWFUSA-N 365.195 4.185 30 40 FIEB C#CCOc1c(Br)cc(CNc2ccccc2C)cc1OC 409120389 ZFZJLGLFHHFFDR-UHFFFAOYSA-N 360.251 4.390 30 40 FIEB CC[C@]1(C)NC(=O)N(/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O 3579418 GEDGONHUUNNLGB-XZEIMLRBSA-N 373.497 4.042 30 40 FIEB COc1ccc(-n2c(SCC#N)nnc2-c2ccc(Cl)cc2)cc1 6621848 VFZIWHUFZIHWTB-UHFFFAOYSA-N 356.838 4.212 30 40 FIEB Cc1ccc(-n2ccnc2SCC(=O)Nc2sccc2C#N)cc1C 6979275 QDUXWGZVAMFULA-UHFFFAOYSA-N 368.487 4.153 30 40 FIEB CC1=NC2=N/C(=N/c3cccc(C)c3C)N[C@@H](c3ccc(C)cc3)N2C(O)=C1 9012880 LJXRNDXXLTYTLC-HXUWFJFHSA-N 373.460 4.433 30 40 FIEB Cc1ccc(/C=C/C(=O)OCC(=O)/C=C2\N(C)c3ccccc3C2(C)C)o1 32945526 ODARCULDAGTXPW-MUUKASMTSA-N 365.429 4.025 30 40 FIEB Cc1ccc(C[C@@H](C#N)Sc2nnc(-c3cccnc3)n2C2CC2)cc1 74343376 NAMQVLMKIRENAW-SFHVURJKSA-N 361.474 4.210 30 40 FIEB C=CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccc(C(C)C)cc1 101231774 CEIVPTXSKWMZCV-NHFXJNLRSA-N 361.441 4.418 30 40 FIEB C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(O)cc3)c2C)C1=O 409070573 ZQNAUUARHBFUMI-GZTJUZNOSA-N 354.431 4.022 30 40 FIEB C#CCOc1ccc(/C=C2\SC(=O)N(CCCCC)C2=O)cc1OCC 409212184 NRULPBPKATYSAP-JXAWBTAJSA-N 373.474 4.324 30 40 FIEB CO[P@](=O)(C#Cc1ccccc1)[C@@H](O)c1ccc(Br)cc1 1310227 KZALOBXNUSOFOH-IIBYNOLFSA-N 365.163 4.374 30 40 FIEB N#Cc1ccc(C(=O)Nc2nc3ccc(Br)cc3s2)cc1 1514800 ZSKYSWFHPVTPTP-UHFFFAOYSA-N 358.220 4.183 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(F)cc2)C[C@@H]1c1ccc(F)cc1 4119632 NUWVCJVPVQOPRQ-QUCCMNQESA-N 356.368 4.284 30 40 FIEB CCc1ccc2nc(SCC(=O)N3CCC[C@H](C)C3)c(C#N)cc2c1 4848910 XGDQATDHAMKVFY-AWEZNQCLSA-N 353.491 4.019 30 40 FIEB Cc1ccc2cc(C#N)c(SCC(=O)N3CCCCCC3)nc2c1C 4849119 AGAZSICJWACEQE-UHFFFAOYSA-N 353.491 4.218 30 40 FIEB C=CCOc1ccc(/C=C2\S/C(=N\CC)N(CC)C2=O)cc1Cl 5614178 ZDOXBQZFRRRPIN-YXKDWKSPSA-N 350.871 4.217 30 40 FIEB COc1ccc(-c2csc(NC(=O)c3ccccc3F)n2)cc1CC#N 9315687 TWOQIRCNFJBFIN-UHFFFAOYSA-N 367.405 4.276 30 40 FIEB N#CCSc1nc2c(-c3ccccc3)c[nH]c2c(=O)n1Cc1ccccc1 16841542 KFODGYILCHFMHY-UHFFFAOYSA-N 372.453 4.056 30 40 FIEB Oc1cccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)c1 19808705 CEZSIEYRNYQISC-KOEQRZSOSA-N 369.468 4.114 30 40 FIEB Cc1ccc(C(=O)O/N=C(\N)c2ccc(OCc3ccccc3)cc2)cc1 57354868 HETYWHVXVVKRGI-UHFFFAOYSA-N 360.413 4.051 30 40 FIEB CN(Cc1cccs1)C(=O)CON=C1c2ccccc2-c2ccccc21 60781757 WZFTYBZSRPWORR-UHFFFAOYSA-N 362.454 4.156 30 40 FIEB C=CCN(c1ccc(F)cc1F)S(=O)(=O)c1ccc(SC)cc1 224987272 MADJTLPJELCZNV-UHFFFAOYSA-N 355.431 4.068 30 40 FIEB CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@H]4[C@@H]3CC[C@@]21C 253618046 MTSLFKWJINJVBO-HJEMKOJISA-N 358.478 4.019 30 40 FIEB Cc1nn(-c2ccccc2)c(C)c1/N=C/c1ccc(N(C)C)c([N+](=O)[O-])c1 408977508 WBJNTSUFFHCWEQ-FYJGNVAPSA-N 363.421 4.214 30 40 FIEB COC(=O)c1cccc(/N=C/c2cccn2-c2cccc(C(=O)O)c2)c1C 409102234 VMXFTZTTYWUKSW-LPYMAVHISA-N 362.385 4.021 30 40 FIEB S=C(N/N=C/c1c[nH]c2ccc(Br)cc12)Nc1ccccc1 980719 ADVIDMKLPVJIDK-VXLYETTFSA-N 373.279 4.251 30 40 FIEB C[C@@H]1CC(=O)C2=C(O1)c1c(ccc3ncccc13)N[C@@H]2c1cccc(O)c1 1440471 YNCJBJIKDVIMJE-XUSGNXJCSA-N 358.397 4.196 30 40 FIEB C=CCOc1ccc(CNc2nc3ccc(OC)cc3s2)cc1OC 2181874 MABHSFSMRFNTCA-UHFFFAOYSA-N 356.447 4.490 30 40 FIEB Cc1ccc(S(=O)(=O)/N=C(\O)c2cc(C)n(-c3ccccc3)c2C)cc1 3186079 RUKYMPCMKAYSNY-UHFFFAOYSA-N 368.458 4.096 30 40 FIEB O=[N+]([O-])c1cccc(/C=N/Nc2nc(-c3ccccn3)nc3ccccc23)c1 5091644 XRFDASLFAFVUBY-LPYMAVHISA-N 370.372 4.046 30 40 FIEB N#Cc1sc(C/C=N\OCc2ccc(Cl)cc2)nc1C(F)(F)F 5253031 ZMLVVJUCMXRMOV-IOXNKQMXSA-N 359.760 4.432 30 40 FIEB Cc1ccc(C(=O)OCc2ccc(C#N)cc2)cc1NC(=O)c1ccco1 5994915 BVLXWBMUSXZPHX-UHFFFAOYSA-N 360.369 4.069 30 40 FIEB Oc1ccc(Br)cc1/C=N/n1cc(-c2ccccc2)nc1S 6211013 BKIQGNQIFZCROQ-GIJQJNRQSA-N 374.263 4.189 30 40 FIEB N#Cc1cccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)c1 7737359 NIXPIQOBZZIHDG-UHFFFAOYSA-N 350.381 4.421 30 40 FIEB O=C(O)c1ccc(/C=N/N=C(/C(=O)c2ccccc2)c2ccccc2)cc1 7946951 RVEFDAGYJKOHCQ-OJMJSWISSA-N 356.381 4.091 30 40 FIEB Cc1cc(C)c(C#N)c(SCC(=O)N[C@@H]2CCSc3ccccc32)n1 8342374 QSHWKFCCCMULJU-MRXNPFEDSA-N 369.515 4.016 30 40 FIEB COc1ccc(/C=C/c2nc(C#N)c(N3CCCCCC3)o2)cc1OC 8493383 LNXWYOVAQQLOIY-CSKARUKUSA-N 353.422 4.114 30 40 FIEB CCc1cc2c(CSc3nc(C)cc(C)c3C#N)cc(=O)oc2cc1O 10267159 CPAWGZDDOYHQIW-UHFFFAOYSA-N 366.442 4.237 30 40 FIEB biogenic O=C1N/C(=N/c2cccc3ccccc23)S/C1=C\c1ccc(O)c(O)c1 12032520 KPKOVFNORVSVDA-WQRHYEAKSA-N 362.410 4.143 30 40 FIEB Cc1cc([C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)n[nH]1 95677048 QNIZRURLNRWOKX-YFKPBYRVSA-N 366.130 4.210 30 40 FIEB CCOc1cc(Cl)c(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1OC 408595331 WEJHBCKOOUGFMW-VXLYETTFSA-N 364.785 4.206 30 40 FIEB CCn1c(N/N=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)nc2ccccc21 408692351 KNWUJFMNWOSHDK-LPYMAVHISA-N 374.400 4.460 30 40 FIEB Cc1ccc(/C=C2/SC(=Nc3ccc(Cl)cc3[N+](=O)[O-])NC2=O)cc1 408752480 ISLVWNXDIDEDSU-OVCLIPMQSA-N 373.821 4.448 30 40 FIEB CC(C)[C@@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1ccc2c(c1)OCCCO2 6604720 ZFFCZHRXVWFILX-HXUWFJFHSA-N 367.405 4.437 30 40 FIEB C=CC[C@@](O)(c1ccc(CC)cc1)[C@H](CN1CCOCC1)c1ccccc1 26958594 YZVKMGUVVHJPGK-DNQXCXABSA-N 365.517 4.129 30 40 FIEB CC(=O)N(C)c1nc(/C=C/C(=O)c2cc3cc(Cl)ccc3o2)cs1 58180224 QAESWCQRGZNANP-SNAWJCMRSA-N 360.822 4.422 30 40 FIEB C=CCN1C(=O)/C(=C/c2c[nH]c3ccccc23)S/C1=N/c1nccs1 101128405 KKDQYTDDNRVLKY-IWULQAATSA-N 366.471 4.414 30 40 FIEB Cc1cccc(COc2ccc(/C=N/Nc3ncccc3[N+](=O)[O-])cc2)c1 409071557 KDGQBNSWTPWPMX-LPYMAVHISA-N 362.389 4.323 30 40 FIEB CCOc1ccc(/C=N/NC(=S)Nc2c(C)cccc2C)cc1OC 3266235 DNCCECLZXOIXPY-UDWIEESQSA-N 357.479 4.031 30 40 FIEB CCN1C(=S)N[C@@H](c2c(F)cccc2F)C(C(=O)c2ccccc2)=C1C 3324200 FNIJIOBEGFQWFH-GOSISDBHSA-N 372.440 4.373 30 40 FIEB Cc1ccc(-c2ccc(/C=N/c3ccc(O)c(C(=O)O)c3)o2)cc1C(=O)O 4691471 AYYAWYCXOYGQNN-UFFVCSGVSA-N 365.341 4.108 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2cccc(OC)c2)C[C@H]1c1ccccc1C 4919246 VICFHKBVNXWMKS-RBBKRZOGSA-N 364.441 4.323 30 40 FIEB Cc1ccc(S(=O)(=O)/N=C(/NC2CCCCC2)c2ccccc2)cc1 18167446 QQGWTKMTUUVXOA-UHFFFAOYSA-N 356.491 4.053 30 40 FIEB Cc1ccc(-c2csc(N/N=C/c3cc([N+](=O)[O-])ccc3O)n2)cc1 36075256 QLORLJMYMJEWNW-GIJQJNRQSA-N 354.391 4.178 30 40 FIEB CCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3onc(C)c32)cc1O 72332397 RCPMOXGTXWGMOY-GOSISDBHSA-N 368.433 4.288 30 40 FIEB N#Cc1c(NC(=O)C2=NO[C@H](c3ccccc3)C2)sc2c1CCCCC2 95955631 JLTNJVBOXCGHKH-KRWDZBQOSA-N 365.458 4.345 30 40 FIEB Cc1ccc(Cc2nc(SCc3cccc(F)c3)nc(N)c2C#N)cc1 223672965 NEPCCBMHIROCAT-UHFFFAOYSA-N 364.449 4.261 30 40 FIEB COc1ccc(/C=C2\SC(=Nc3cc(C)ccc3OC)NC2=O)c(C)c1 408865172 BHQSDVYVNUPHKG-WQRHYEAKSA-N 368.458 4.212 30 40 FIEB CC1=C(N/N=C2\C=CC(=O)c3ccccc32)C(=O)[C@H](c2ccccc2)[C@@H]1C 1554504462 WBKWGZNUFKYIDG-RNBLQWFHSA-N 356.425 4.009 30 40 FIEB Cc1ccc2cccc(OCC(=O)Nc3ccc(C#N)c(Cl)c3)c2n1 3340608 NWRWVYVOAOIEOU-UHFFFAOYSA-N 351.793 4.086 30 40 FIEB CCCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)ccc1OC 5129792 BOPRULDIVMUPBX-QPJJXVBHSA-N 354.402 4.151 30 40 FIEB COc1cc(C(=O)/C=C/c2cc(Br)ccc2F)ccc1O 13137340 DNPMOOFURXCQMC-QHHAFSJGSA-N 351.171 4.199 30 40 FIEB COC(=O)c1ccccc1-c1ccc(C=C2C(=O)c3ccccc3C2=O)o1 16406564 HNHNGVLBOKQWHO-UHFFFAOYSA-N 358.349 4.196 30 40 FIEB COc1ccc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1F 101473520 KZUTWPSNIQEYNG-UHFFFAOYSA-N 372.158 4.485 30 40 FIEB COc1cc(/C=N\O)cc(Br)c1OCc1ccccc1Cl 103862377 CNBRSHIGTKVZSE-LSCVHKIXSA-N 370.630 4.498 30 40 FIEB CN1C(=O)[C@]2(Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)c2ccccc21 4414091 WWZDXIARHJVMRX-QHCPKHFHSA-N 373.456 4.039 30 40 FIEB CC(=O)c1nn(-c2ccccc2Cl)/c(=N/N=C/c2ccc(C)cc2)s1 6190040 LMMUQWMCNIJJBT-HVFCYKRDSA-N 370.865 4.033 30 40 FIEB Cc1cccc(-n2c(SCC#N)nc3sc4c(c3c2=O)CCCC4)c1 12807361 DFMJXBBBTOQPAB-UHFFFAOYSA-N 367.499 4.250 30 40 FIEB C=CCN1C(=O)/C(=C\c2ccccc2F)S/C1=N\c1nnc(CC)s1 16770010 AGYFFGPCJRSDII-DFQGMUSMSA-N 374.466 4.030 30 40 FIEB C=CCOc1c(Cl)cc(/C=N\Nc2cccc(C(=O)O)c2)cc1OC 36623599 YDVRUCSLNKJJCB-JAIQZWGSSA-N 360.797 4.058 30 40 FIEB CCOc1ccc(/N=C2/S/C(=C\c3ccccc3O)C(=O)N2CC)cc1 97464903 MHBVTNVIUJLDAD-RORWIDQYSA-N 368.458 4.415 30 40 FIEB Cc1cc(Cl)ccc1N/N=C1\C(=O)Nc2ccc(C(F)(F)F)cc21 223746588 QNHIDWSNMLBAOK-UHFFFAOYSA-N 353.731 4.436 30 40 FIEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C[C@@]5(C(C)=O)O[C@H]5[C@@]4(C)CC[C@H]32)C1 253501264 GWZAVXCYXHGFFE-WNCKLLFJSA-N 372.505 4.217 30 40 FIEB COc1ccc2[nH]cc(C3CCN(c4ncc(C#N)cc4Cl)CC3)c2c1 608885877 DPSDJLOJXQDFGS-UHFFFAOYSA-N 366.852 4.481 30 40 FIEB CCOC(=O)/C(=N/Nc1cccc(Cl)c1)N1CCCc2ccccc21 2201960 KWNZFEPQUQFAFS-PYCFMQQDSA-N 357.841 4.081 30 40 FIEB N#Cc1ccccc1OCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 3359884 BLLPIKIQECCJQZ-UHFFFAOYSA-N 354.715 4.248 30 40 FIEB C=CCn1c(SCC(=O)c2ccccc2)nnc1-c1ccc(F)cc1 3454979 WHOHXLUUTYLOLV-UHFFFAOYSA-N 353.422 4.245 30 40 FIEB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3C[C@H]3O[C@]32C(C)=O)C1 4082422 BDJNJWJAJKMWQI-XIWCDJEOSA-N 374.521 4.297 30 40 FIEB biogenic N#CCOc1ccc(Br)cc1/C=N\Nc1ccccc1Cl 4647040 RUCRPEGCQSNBGP-GRSHGNNSSA-N 364.630 4.451 30 40 FIEB CN(C(=O)CNc1ccc2c(c1)Cc1ccccc1-2)C1(C#N)CCCCC1 83843840 UZZXPEHLVFWGOZ-UHFFFAOYSA-N 359.473 4.355 30 40 FIEB O=C(O)c1ccc(Cn2cc(/C=N\c3cccc(O)c3)c3ccccc32)o1 408545061 YVICSFZZWGDUIW-JJFYIABZSA-N 360.369 4.437 30 40 FIEB Cc1c(/N=C2\S/C(=C\c3cccc(F)c3)C(=O)N2C)cccc1C(=O)O 408936291 PBHPPMAVFJRLOL-STCVOBJUSA-N 370.405 4.066 30 40 FIEB COc1cc(N2CCCCC2)ccc1/C=N/c1cccc(C(=O)O)c1C 409246724 ASFRUKAKSCWVLW-HYARGMPZSA-N 352.434 4.443 30 40 FIEB CC(=O)Nc1ccc(/N=C/c2ccc(I)cc2)cc1 706827 YJKRKYSHPHKYHR-LICLKQGHSA-N 364.186 4.000 30 40 FIEB Cc1csc(NC(=O)CSc2nc3c(C)ccc(C)c3cc2C#N)n1 1354285 AKOOZOPMHOONSF-UHFFFAOYSA-N 368.487 4.219 30 40 FIEB C#CCSc1nc2ccccc2n1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 4247155 QMAWZTUBUPFMBT-FMIVXFBMSA-N 363.398 4.023 30 40 FIEB COc1ccc2occ(CC(=O)Nc3sc4c(c3C#N)CCCC4)c2c1 6746667 AKSBDUAEKCJKIQ-UHFFFAOYSA-N 366.442 4.435 30 40 FIEB CCOc1cc(/C=N/O)c(Br)cc1OCc1ccccc1 13747646 CXBLQCZYKQYURT-VCHYOVAHSA-N 350.212 4.235 30 40 FIEB C=CCc1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)ccc1OC 14399124 DOWCUKIXTGQVON-UHFFFAOYSA-N 364.489 4.003 30 40 FIEB C=CCc1ccc(OCC(=O)Nc2ccc(N(CC)CC)cc2)c(OC)c1 14428563 CYCJCQHAYWLTOM-UHFFFAOYSA-N 368.477 4.287 30 40 FIEB CN(C)Cc1cc(C(=O)/C=C/c2ccccc2Cl)cc(CN(C)C)c1O 16958805 WXFSZYUYVKUUNW-MDZDMXLPSA-N 372.896 4.065 30 40 FIEB COc1ccc(/C=C2/S/C(=N/c3ccc(C)c(C)c3)NC2=O)cc1OC 35644654 QLPWKORSSPUHPV-WOJGMQOQSA-N 368.458 4.212 30 40 FIEB C=CCn1c(SCc2ccc3nonc3c2)nnc1-c1cccs1 1072224 HRZNSLDMHKJFEU-UHFFFAOYSA-N 355.448 4.021 30 40 FIEB CCOc1cc(/C=C2/N=C(c3ccccc3)SC2=O)ccc1OC(C)=O 5001024 TZWIMSNOVDKKDP-LFIBNONCSA-N 367.426 4.072 30 40 FIEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3ccc(F)cc3)c2)c1 22828666 WJQIPKUGXVYUJV-UHFFFAOYSA-N 373.383 4.264 30 40 FIEB C[C@@H]1CCc2c(sc(NC(=O)CC3(CC(=O)O)CCCCC3)c2C#N)C1 24151090 JQJQZNZEVVGVDL-CYBMUJFWSA-N 374.506 4.498 30 40 FIEB C=CCOc1ccc(C(=O)Nc2nc(-c3ccc(C)s3)ns2)cc1 32594240 QZPBXZYEAJHTJC-UHFFFAOYSA-N 357.460 4.392 30 40 FIEB COc1ccc([C@H]2C3=C(O)CCCC3=NC3=C2C(=O)CCC3)cc1OC 39360072 SQZRTPZMKNVITG-IBGZPJMESA-N 353.418 4.245 30 40 FIEB C#C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 123425064 GVBHYHFYTCVSPY-LQHFQCQCSA-N 358.522 4.325 30 40 FIEB CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OC(C)=O)c(C#N)c1 225824017 TUTHUCMJZXMQBV-UHFFFAOYSA-N 374.481 4.290 30 40 FIEB C=CCN1C(=O)N/C(=C/c2cc(C)n(-c3cccc(Cl)c3C)c2C)C1=O 409135380 UTULDITUBJKIJN-GZTJUZNOSA-N 369.852 4.135 30 40 FIEB CCCCC(=O)C1=C(Nc2ccccc2)C(=O)C=C(Nc2ccccc2)C1=O 1866235 ZZFNXVPRGRKEEH-UHFFFAOYSA-N 374.440 4.260 30 40 FIEB O=C(Nc1nccs1)c1ccccc1/N=C/c1cccc([N+](=O)[O-])c1 2800958 VQQJNTTZGXNNMI-YBFXNURJSA-N 352.375 4.054 30 40 FIEB CN1C(=O)N[C@@H](c2ccccc2C(F)(F)F)C2=C1CC(C)(C)CC2=O 3213121 XDQNCHOESMAGEM-HNNXBMFYSA-N 352.356 4.045 30 40 FIEB CCOc1ccccc1/N=C1\SC[C@H](C)N1C(=O)COc1ccccc1 3538538 FFLBANKRMSSSMQ-ANNUQZOISA-N 370.474 4.116 30 40 FIEB CSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1cccs1 4331392 GSEQRLIGAGQEPY-CYBMUJFWSA-N 372.519 4.043 30 40 FIEB COc1ccc(Cl)cc1C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2 4545286 NCWQCGXZFZMPRP-UHFFFAOYSA-N 358.821 4.477 30 40 FIEB CC(=O)c1ccc(-c2ccc(/C=C3\C(=O)ON=C3c3ccccc3)o2)cc1 4698589 GNMNDBWRPOBYQO-UYRXBGFRSA-N 357.365 4.494 30 40 FIEB CCc1nnc(S)n1/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C 6407015 OOBAGFVHWZRDTL-VXLYETTFSA-N 359.886 4.072 30 40 FIEB CCn1cc(/C=C2\Oc3cc(OCC#N)ccc3C2=O)c2cc(OC)ccc21 28182766 XSGXXILLIVRHAH-FBHDLOMBSA-N 374.396 4.188 30 40 FIEB Cc1cccc(CSc2nc(N)c(C#N)c(Cc3cccc(C)c3)n2)c1 223671074 SIWHRBKJGBADDI-UHFFFAOYSA-N 360.486 4.430 30 40 FIEB C#CCOc1c(Cl)cc(C=C2C(=O)c3ccccc3C2=O)cc1Cl 408912597 REIJAKMJLKXLIX-UHFFFAOYSA-N 357.192 4.468 30 40 FIEB C[C@@H]1CCC[C@@H](C)N1C[C@H](O)COc1ccc(/N=C/c2ccccc2)cc1 3896354 DCAKOVFISXHORD-LOYVZUNBSA-N 366.505 4.440 30 40 FIEB CCN(CC)c1ccc(/C=C2/S/C(=N/c3ccccc3)NC2=O)cc1 6078464 GNLDVBCDQWBZGW-NBVRZTHBSA-N 351.475 4.424 30 40 FIEB Cc1ccc(/N=C/c2ccc(Sc3nnc(C)[nH]3)c([N+](=O)[O-])c2)cc1 6840453 HZCRPQFKSAWUOC-VCHYOVAHSA-N 353.407 4.232 30 40 FIEB CC(=O)Nc1ccc(/N=C/c2cc(C)n(NC(=O)c3ccccc3)c2C)cc1 8334604 ILYJNBYNRZPJBU-OEAKJJBVSA-N 374.444 4.198 30 40 FIEB C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC(CCc2ccccc2)CC1 11720391 AFMIGWQCHRHQOB-SFHVURJKSA-N 361.489 4.230 30 40 FIEB CC[C@@H](ON=C1c2ccccc2-c2ccccc21)C(=O)Nc1cc(C)on1 16334498 HRCTYXHKZIAOEA-GOSISDBHSA-N 361.401 4.150 30 40 FIEB O=c1c2ccccc2nc2c(/C=N\c3cccc(Cl)c3Cl)c[nH]n12 16525249 JXUZIDOZLSPULV-ZBKNUEDVSA-N 357.200 4.233 30 40 FIEB C/C(=N\OCC(=O)Nc1c(C(C)C)cccc1C(C)C)c1nccn1C 32927145 JJMPTLHHJJPMFX-HZHRSRAPSA-N 356.470 4.046 30 40 FIEB C=CCN(Cc1ccc(Cl)s1)C[C@@H](O)c1cc(C)ccc1OC 89612038 GNBTURWHWFDHPQ-MRXNPFEDSA-N 351.899 4.440 30 40 FIEB O=C1Oc2ccccc2C(=O)/C1=C/Nc1cccc(C(=O)c2ccccc2)c1 100915026 UDTPLYBEEHJMTG-RGEXLXHISA-N 369.376 4.015 30 40 FIEB C#C[C@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118913971 LFSRETZWVUHKLB-OWNQEUAMSA-N 356.506 4.245 30 40 FIEB N#Cc1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)sc2c1CCCCCC2 2747585 QSFQDICYVNWTAA-KBPBESRZSA-N 360.479 4.108 30 40 FIEB Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3ccc(N(C)C)cc3)S2)c1 4688391 XHALZVSSBWPFJZ-PDGQHHTCSA-N 351.475 4.261 30 40 FIEB CCc1ccc2nc(SCC(=O)N3CCCCCC3)c(C#N)cc2c1 4848954 ZMRALAZXQKYMNA-UHFFFAOYSA-N 353.491 4.164 30 40 FIEB N#Cc1ccc(-c2ccccc2)nc1SCc1nc2ccccc2[nH]c1=O 6276974 NGWLSSAQDVEHLG-UHFFFAOYSA-N 370.437 4.149 30 40 FIEB COc1cc(C(=O)/C=C/c2c(C)nn(-c3ccccc3)c2Cl)ccc1O 8322740 MSTSMYKFPSDUAA-PKNBQFBNSA-N 368.820 4.444 30 40 FIEB COc1ccc2c(c1)O[C@@H](C)C/C2=N/OC(=O)c1ccc(C)cc1Cl 8369845 ZBNBQXSFDATTEV-FRMRLDDKSA-N 359.809 4.389 30 40 FIEB O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccs1)c1ccccc1 17138453 ZJSLHFQXCRQRGS-QGZVFWFLSA-N 365.410 4.120 30 40 FIEB COc1ccc(C(=O)/C=C/Nc2ccc(OC(F)(F)F)cc2)cc1OC 44843704 AAPGSHBFRFDLPM-MDZDMXLPSA-N 367.323 4.411 30 40 FIEB C=CCN1C(=O)N[C@@H](c2ccccc2)C(c2nc(-c3ccccc3)no2)=C1C 70635554 ORTFLQHBEKVAGR-IBGZPJMESA-N 372.428 4.420 30 40 FIEB CCn1ccnc1SCC(=O)Nc1ccccc1S[C@@H](C)CC#N 95953388 ICWKNWRHAGXNIN-ZDUSSCGKSA-N 360.508 4.028 30 40 FIEB CCCCCCCCCCNC(=O)C(=O)NCCc1c[nH]c2ccccc12 408710042 MLXSFBJAPPYVRH-UHFFFAOYSA-N 371.525 4.084 30 40 FIEB Cc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCCC[C@H]3C)C2=O)o1 2352930 BCANTTZSWSQVNF-LPXFMOJISA-N 353.418 4.284 30 40 FIEB biogenic N#Cc1cccc(NC(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)c1 4805502 LSCLWBKRYORBSA-GOSISDBHSA-N 373.416 4.367 30 40 FIEB COc1cc(/C=N/NCc2c(Cl)cccc2Cl)cc(Cl)c1O 9195216 XQWOFOSAESRVPU-FBCYGCLPSA-N 359.640 4.485 30 40 FIEB C/C(=N\OCC(=O)Nc1ccc(F)c(F)c1F)c1cc2ccccc2o1 13139934 CQFKEMYBTLNZQA-AUEPDCJTSA-N 362.307 4.229 30 40 FIEB N#Cc1c(-c2cccc(Br)c2)cc(-c2cccnc2)nc1N 20328870 BOEITQUNAFNQTP-UHFFFAOYSA-N 351.207 4.027 30 40 FIEB COc1ccc2c(c1)c(/C=C1\Oc3c(ccc(OCC#N)c3C)C1=O)cn2C 28182764 ZXTKKQQIFXUDEQ-JMIUGGIZSA-N 374.396 4.014 30 40 FIEB C=CCOc1ccc(C(=O)OCc2coc(-c3ccccc3)n2)cc1OC 32850484 IYLXOPRYOPVLQY-UHFFFAOYSA-N 365.385 4.272 30 40 FIEB O=C1COc2ccc(C(=O)/C=C/c3csc(-c4ccsc4)n3)cc2N1 58174583 PIGRZDXPSGFVKE-NSCUHMNNSA-N 368.439 4.099 30 40 FIEB C=CCN(c1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1)S(C)(=O)=O 113936501 BGKRXHJPZWXJOO-UHFFFAOYSA-N 372.490 4.014 30 40 FIEB CC(C)COc1c(I)cc(C(C)(C)C)cc1C#N 225293079 NZFYMEGLNMCEAS-UHFFFAOYSA-N 357.235 4.495 30 40 FIEB CCOC(=O)CSc1nc(C2CC2)cc(-c2ccccc2F)c1C#N 1514656 NPLXKTBUQVHYFE-UHFFFAOYSA-N 356.422 4.292 30 40 FIEB CCCCCCCCCCCNC(=O)c1c(O)c2c([nH]c1=O)CCCC2 1822667 MIPQKURYRCQNLS-UHFFFAOYSA-N 362.514 4.220 30 40 FIEB Fc1ccccc1C1=NC(C(F)(F)F)(C(F)(F)F)N=C2C=CC=CN21 2050272 AIVJQYZHPCWBDR-UHFFFAOYSA-N 363.236 4.191 30 40 FIEB Cc1nc2ccccc2c(=O)n1/N=C/c1ccc(Oc2ccccc2)cc1 3352244 ZGEZUGJNZRLAQQ-HZHRSRAPSA-N 355.397 4.379 30 40 FIEB COC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1Cc1ccccc1C#N 4931661 OZDKWLNVVZQJLZ-UHFFFAOYSA-N 373.387 4.278 30 40 FIEB Cc1nc(SCC(=O)N[C@H]2CCCc3ccccc32)c(C#N)c(C)c1C 5089153 YDUGLMLFDFZHEE-IBGZPJMESA-N 365.502 4.164 30 40 FIEB C=CCN1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 5377248 QFBLKLVZMVROIA-XNTDXEJSSA-N 372.427 4.242 30 40 FIEB Cc1ccc([C@H](C)NC(=O)CSc2nc(C)c(C)c(C)c2C#N)cc1C 7058612 XVSUSBJWRLQIMZ-KRWDZBQOSA-N 367.518 4.465 30 40 FIEB C=CCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc2ccccc2c1 13685280 WINHZZMEXKMZBW-MRXNPFEDSA-N 374.440 4.162 30 40 FIEB Oc1ccccc1/C=N/c1ccc(I)cc1Cl 16449082 ABZSJTUZKHLRDT-LZYBPNLTSA-N 357.578 4.401 30 40 FIEB C#CCOc1ccc(CN[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1OC 36612294 KLOHLPHBDYJFKS-DISFUBAWSA-N 353.506 4.402 30 40 FIEB O=C1c2ccccc2C(=O)c2cc(/N=C/c3ccc([N+](=O)[O-])cc3)ccc21 103618046 VLDQWVLGKFATHP-WSDLNYQXSA-N 356.337 4.121 30 40 FIEB Cc1ccc(COc2nn(Cc3ccccc3Cl)c(N)c2C#N)cc1C 225839818 LYOQJSNMSXPYIK-UHFFFAOYSA-N 366.852 4.235 30 40 FIEB C#CCOC(=O)/C=C/c1cc(Cl)c(OCc2ccccc2F)c(OC)c1 226335516 RCZCXQDBAFLGAP-CMDGGOBGSA-N 374.795 4.256 30 40 FIEB Cc1ccc2nc(Nc3ccccc3)c(/C=N/c3ccccc3)c(=O)n2c1 1470211 YEPRWCNVYSMSRO-OEAKJJBVSA-N 354.413 4.497 30 40 FIEB Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(N4CCCC4)o3)S2)cc1 4704707 UWQRTUMUBISLKP-FOWTUZBSSA-N 353.447 4.080 30 40 FIEB Cc1[nH]c2ccccc2c1/C=N/n1c(S)nnc1-c1ccccc1F 7860119 YOSYRBRCYXVMDL-KEBDBYFISA-N 351.410 4.045 30 40 FIEB O=C(/C=C/c1cccnc1)c1c(-c2ccccc2)c2ccccc2[nH]c1=O 12528161 UOERWAOIWPFBRM-OUKQBFOZSA-N 352.393 4.486 30 40 FIEB C=CCn1cc(CN(Cc2cccnc2)Cc2ccccc2F)c(C)n1 13569022 FCLAWZKFHQABJV-UHFFFAOYSA-N 350.441 4.114 30 40 FIEB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccn1)C1=C(CCCC1=O)N2 18198771 BSPIIKTYQHCIHO-NRFANRHFSA-N 356.429 4.140 30 40 FIEB C=CCNC(=O)Nc1ccc(NC(=O)c2[nH]c3ccccc3c2Cl)cc1 56352676 XBSIOOGVSYDOEF-UHFFFAOYSA-N 368.824 4.381 30 40 FIEB C=CCOc1ccc(/C=C2/SC(=S)N=C2O)cc1Br 83252423 BQECPZOGYWSGKG-YRNVUSSQSA-N 356.266 4.343 30 40 FIEB C#C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](OC(C)=O)CC[C@@H]32)C1 118915183 VHAGTEAFULKJNP-MVAZZOICSA-N 358.522 4.325 30 40 FIEB C=CCOc1ccc(NC(=O)C2(C)COC(C(C)C)OC2)c2ccccc12 225914543 ZCIXHBFLOXBNEB-UHFFFAOYSA-N 369.461 4.378 30 40 FIEB Cc1ccc(S(=O)(=O)/N=C(\O)Nc2cc(Cl)c(Cl)cc2C)cc1 1738943 RYIGVYDKPGGPQM-UHFFFAOYSA-N 373.261 4.325 30 40 FIEB COc1cccc(/C=N/NC(=S)Nc2ccc(Cl)cc2Cl)c1O 2319024 QEHZNUHBGPXWQX-QGMBQPNBSA-N 370.261 4.028 30 40 FIEB COc1cccc(/C=N/n2c(=S)n(C)c3cc(C)c(C)cc32)c1OC 2396941 TWCWIYMRHQSTDM-RGVLZGJSSA-N 355.463 4.226 30 40 FIEB COCc1c(C(=O)OCc2ccccc2C#N)sc2cccc(F)c12 7007078 BIYHNCJVKBACCW-UHFFFAOYSA-N 355.390 4.415 30 40 FIEB N#CCc1ccc(NC(=S)NCCSc2ccc(Cl)cc2)cc1 7369123 UQUSKHPZDMNFFR-UHFFFAOYSA-N 361.923 4.485 30 40 FIEB Cc1cc(C2=NN/C(=N\c3ccc(F)cc3F)SC2)c(C)n1C1CC1 8987650 XSMNXPZVRWQSFO-UHFFFAOYSA-N 360.433 4.446 30 40 FIEB CCc1ccc(/N=C2\S/C(=C/c3cccc(OC)c3)C(=O)N2C)cc1 12467981 QKFXHXIAPJGCTK-BIXZQSIESA-N 352.459 4.491 30 40 FIEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C)cc1 19535364 TZXVGGOTQCOXOC-IBGZPJMESA-N 353.462 4.162 30 40 FIEB Cc1ccc(/C=C/C(=O)c2cc(Br)ccc(=O)c2O)cc1C 19909837 QOTOXDBDLNFRTF-FNORWQNLSA-N 359.219 4.028 30 40 FIEB CCCC/N=C1\S/C(=C/c2ccc(C(=O)O)cc2)C(=O)N1CCCC 35042007 SUKDRUQOUUEZNG-XWLVTCQQSA-N 360.479 4.257 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2cccc(F)c2)C[C@@H]1c1ccc(OC)cc1 97104940 WPKXKKMHTUJEPI-TZIWHRDSSA-N 368.404 4.154 30 40 FIEB C=CCOc1ccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1OCC 408626168 ZVVRHQOXAVURAD-UHFFFAOYSA-N 356.378 4.119 30 40 FIEB C=CCSc1nnc(-c2sc3nc(C)cc(C)c3c2N)n1CC=C 6386851 KACWFDAHOJIMNQ-UHFFFAOYSA-N 357.508 4.218 30 40 FIEB N#Cc1cccc(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)c1 8920138 MEWBKDXGPWMFIV-UHFFFAOYSA-N 351.793 4.438 30 40 FIEB CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(C#N)cc2F)c1 9141950 IACWGWFLCWOBKZ-UHFFFAOYSA-N 359.788 4.342 30 40 FIEB C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCc4cc(OC)ccc4[C@@H]3CC[C@@]21C 12656610 VUOXWYSHLSLTID-NQQQLTFYSA-N 352.474 4.486 30 40 FIEB biogenic N#CCCn1cc(C2=NN=C(NCc3ccccc3)SC2)c2ccccc21 12781797 WDDZQZJXCWWVIL-UHFFFAOYSA-N 373.485 4.152 30 40 FIEB COc1ccc(O)c(/C=N/c2cc(NC(C)=O)c(Cl)cc2Cl)c1 13130148 KBZVYBJFHKBRNI-UFWORHAWSA-N 353.205 4.417 30 40 FIEB C=CC/N=c1\scc(-c2ccc(OC(F)F)cc2)n1/N=C/c1ccc[nH]1 15913431 LHNAEAGORTWEMO-AISKWGILSA-N 374.416 4.115 30 40 FIEB C=CCNc1nc(C(=O)O[C@H](C)c2nnc(-c3cccc(C)c3)o2)cs1 26563227 NPAXKIVOQKTTCZ-GFCCVEGCSA-N 370.434 4.017 30 40 FIEB N#C[C@@H](C(=O)c1cc(-c2ccccc2Cl)on1)c1nc2ccccc2[nH]1 48813207 RCLWMYLGMZARSG-LBPRGKRZSA-N 362.776 4.361 30 40 FIEB CCOc1cc(CNc2c(F)cc(C#N)cc2F)ccc1OC(F)F 72054476 KPUMJDJCDGRMHJ-UHFFFAOYSA-N 354.303 4.449 30 40 FIEB CC1(C)[C@H]2CC[C@@]1(C)[C@H](OCC[N+](C)(C)CC(=O)OC1CCCCC1)C2 100527247 KYWMVDGDOMBOTE-KPLVRAHFSA-N 366.566 4.170 30 40 FIEB Cc1ccc(CSc2nc(N)c(C#N)c(Cc3ccc(C)cc3)n2)cc1 223673304 OQPXJDCOCUZKAG-UHFFFAOYSA-N 360.486 4.430 30 40 FIEB O=[N+]([O-])c1cccc(/C=N/c2ccc(Br)c(Cl)c2)c1O 409095068 HCLXVSOHRLBVPH-FRKPEAEDSA-N 355.575 4.467 30 40 FIEB c1ccc(/N=C(/N2CCCC2)N(CCN2CCCC2)c2ccccc2)cc1 1644238 CXTDIZWTRIBIJF-VHXPQNKSSA-N 362.521 4.372 30 40 FIEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@@H]3C[C@H]3O[C@]32C(C)=O)C1 4081843 YRLVTBXOGJMZNC-WIYPWKLFSA-N 372.505 4.217 30 40 FIEB biogenic C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCc5ccccc5C4)[C@H]3C[C@H]12 4085590 NGDNTENCUITPCQ-DXHZJSNDSA-N 365.517 4.359 30 40 FIEB biogenic COC(=O)c1c(/N=C/c2cccc([N+](=O)[O-])c2O)sc2c1CC[C@H](C)C2 4739518 CCCUAQXVNIYDFE-XPAGJJBOSA-N 374.418 4.024 30 40 FIEB Cc1ccc([C@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ncnn32)cc1 5302611 QUAKICSHPSUQHK-UWJYYQICSA-N 356.429 4.002 30 40 FIEB C/C(=N\Nc1nnc2c(n1)[nH]c1ccc(C)cc12)c1ccc(Cl)cc1 5343052 JAXBWOBFLAHJFJ-SSDVNMTOSA-N 350.813 4.304 30 40 FIEB CN1/C(=C\C=N\NC(=S)Nc2ccc(F)cc2)C(C)(C)c2ccccc21 7780262 ZMWPEKBJUXXUAY-MYECPZRPSA-N 368.481 4.409 30 40 FIEB CCCCn1c(Sc2ncccc2C#N)nc2sc(C)c(C)c2c1=O 12522970 YXHXHMMDXBCBPC-UHFFFAOYSA-N 370.503 4.293 30 40 FIEB N#Cc1ccc(NCC(=O)NCCC(c2ccccc2)c2ccccc2)cc1 15291202 WDRQQAGCBQDYGP-UHFFFAOYSA-N 369.468 4.309 30 40 FIEB N#Cc1cccc(NC(=O)COc2ccc(OCc3ccccc3)cc2)c1 15644367 QKFLWDKHINIFHV-UHFFFAOYSA-N 358.397 4.155 30 40 FIEB C=CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccccn1 16755557 BRWKHSWMCFFVLB-UHFFFAOYSA-N 370.865 4.155 30 40 FIEB FC(F)(F)c1ccc(Cl)c(NC(=S)N/N=C2/CCSC2)c1 21539788 NOWVDPJLAORZMH-LSCVHKIXSA-N 353.822 4.138 30 40 FIEB CCNC(=S)N/N=C\c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C 35074195 URNUMJLZTUWHCN-UKWGHVSLSA-N 369.321 4.219 30 40 FIEB CCCCn1nc(C)c(/C=C/C(=O)Oc2ccc(C#N)cc2OC)c1Cl 36318139 YPHBDXNILKEUBO-VQHVLOKHSA-N 373.840 4.144 30 40 FIEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccc(F)cc1 103087467 MWGYEMCJWVSLBF-SELCWUDQSA-N 353.393 4.048 30 40 FIEB CCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)S/C1=N/c1ccc(F)cc1 409247146 GMTWLLOHLHQQEL-DNCSRFGUSA-N 370.405 4.178 30 40 FIEB COc1ccccc1C(C1=C(O)C=C(C)CC1=O)C1=C(O)C=C(C)CC1=O 1676947 ZBJSTDXSCHNFGL-UHFFFAOYSA-N 366.413 4.241 30 40 FIEB Cc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1[N+](=O)[O-] 1959652 CGYKQJLZUKNWEL-JTQLQIEISA-N 355.419 4.214 30 40 FIEB CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCCC#N)cc1 6831353 PMVCAUADZYCXFC-UHFFFAOYSA-N 364.474 4.263 30 40 FIEB CCn1ncc2c(C(=O)Nc3ccc(C#N)cc3)cc(-c3cccs3)nc21 12792702 FGSJOQHFECDSCT-UHFFFAOYSA-N 373.441 4.304 30 40 FIEB CCOC(=O)c1c(/N=C/c2ccc([N+](=O)[O-])c(O)c2)sc2c1CCCC2 35986611 SCRFWDVOOPGXCX-VXLYETTFSA-N 374.418 4.168 30 40 FIEB C#C[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118915139 GVBHYHFYTCVSPY-SLPWJLCXSA-N 358.522 4.325 30 40 FIEB C#CCOC(=O)/C=C/c1cc(Cl)c(OCc2ccc(C)cc2)c(OC)c1 226335360 UIQXWGHUPDOPOE-MDZDMXLPSA-N 370.832 4.426 30 40 FIEB CC(=O)C1=C(O)C(=O)N(c2ccc(O)cc2)[C@H]1c1ccc(C(C)C)cc1 847057 UDWWUMLUYICTRG-IBGZPJMESA-N 351.402 4.005 30 40 FIEB C=CCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1cccc(C)c1C 22516315 HNMFQDBVQBFTMS-IBGZPJMESA-N 366.461 4.015 30 40 FIEB COc1cc(/C=N\Nc2ccc(Cl)c(C(=O)O)c2)cc(Cl)c1OC 30755628 XQBBTYCKDXTERC-UWVJOHFNSA-N 369.204 4.155 30 40 FIEB O=C1N/C(=N\c2cccc(C(F)(F)F)c2)S/C1=C/c1cccc(O)c1 36245329 HLQATJYPCLYTOG-RIYZIHGNSA-N 364.348 4.303 30 40 FIEB CC1(C)[C@]2(C(=O)Nc3ccccc3Br)CC[C@@]1(C)/C(=N/O)C2 96236545 NOVLIIYOFSFRKJ-CHXORGPNSA-N 365.271 4.434 30 40 FIEB CCn1c(=O)c(/C=N/c2cccc(Br)c2)c(O)c2ccccc21 103461943 MWNRJRUOBZAIFG-RGVLZGJSSA-N 371.234 4.240 30 40 FIEB C=CCN(c1ccccc1Cl)S(=O)(=O)c1ccc(OC)c(C)c1 224635182 FQRJGSCYEGZIMD-UHFFFAOYSA-N 351.855 4.038 30 40 FIEB COc1ccc2c(c1)OCc1sc(/N=C/c3ccc(O)c(OC)c3)nc1-2 408723490 VTENQKBOUCFIRR-AWQFTUOYSA-N 368.414 4.176 30 40 FIEB C=CCOc1ccc(CNc2ccc(NC(=O)C(C)C)cc2)cc1OC 4661531 DVFXHIPUDSCJLS-UHFFFAOYSA-N 354.450 4.467 30 40 FIEB COc1ccc2c(c1)O[C@H](C)C/C2=N/OC(=O)c1ccc(C)cc1Cl 8369846 ZBNBQXSFDATTEV-ZZNSHVFXSA-N 359.809 4.389 30 40 FIEB CCOC(=O)/C(=N\Nc1ccccc1Cl)N1c2ccccc2C[C@@H]1C 12524423 JAYXUOAUHAHUOS-SRHUDTFWSA-N 357.841 4.080 30 40 FIEB Cc1cc(F)ccc1NCC(=O)Nc1sc2c(c1C#N)CCCCC2 12981836 ICLZPVREBQBZET-UHFFFAOYSA-N 357.454 4.387 30 40 FIEB CC1(C)Cc2c(C#N)c(NC[C@H]3CCCO3)nc(-c3ccccc3)c2CO1 13757235 BGVACEPDPCXDOD-MRXNPFEDSA-N 363.461 4.062 30 40 FIEB CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1ccccc1C#N 28564706 WJNQZXPCJCLCNG-JOCHJYFZSA-N 374.484 4.062 30 40 FIEB CCCCC(=O)Nc1cccc(/N=C/c2cc([N+](=O)[O-])cc(C)c2O)c1 38179878 FWLINAQEDXEKIX-UDWIEESQSA-N 355.394 4.488 30 40 FIEB N#Cc1cccnc1Oc1ccc(NC(=O)c2ccc(F)cc2F)cc1 40106957 KGMBKFORHOPNFU-UHFFFAOYSA-N 351.312 4.276 30 40 FIEB C=C(C)COc1cccc(C(=O)NCCSCc2ccccc2F)c1 219787014 VBWURQLQGPURPI-UHFFFAOYSA-N 359.466 4.444 30 40 FIEB C=CCSc1nnc(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)s1 223145748 QSGAKNCOASNHGL-GFCCVEGCSA-N 363.508 4.346 30 40 FIEB Cc1c(Cl)cccc1N/N=C1\C(=O)Nc2ccc(Br)cc21 223763397 WWFYZWYIJKXUGE-UHFFFAOYSA-N 364.630 4.179 30 40 FIEB CCOc1cccc(/C=C2\S/C(=N/c3ccc(C)cc3)N(C)C2=O)c1O 5673777 SCTXYMXDCDFIGB-WIQPNEMMSA-N 368.458 4.333 30 40 FIEB C#CCOc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2ccccc2)cc1OC 31820004 AWJHNGDXSQSODY-QGZVFWFLSA-N 373.412 4.017 30 40 FIEB CCN(CC)[C@H](CNC(=O)Nc1cc(C#N)cc(F)c1C)c1ccsc1 58008491 CQDBXMBKZLXGCJ-GOSISDBHSA-N 374.485 4.272 30 40 FIEB C/C(=N\Cc1cccnc1)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 100370434 KXGROHRTAMWJFX-PCLIKHOPSA-N 369.424 4.101 30 40 FIEB CCOc1ccc(CCCNC(=S)Nc2ccc(CC#N)cc2)cc1 225622029 RIDZHQRTQMXYOI-UHFFFAOYSA-N 353.491 4.071 30 40 FIEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccs2)C[C@@H]1c1ccccc1OC 4918758 JRIWEFZFRLJMDT-BEFAXECRSA-N 356.443 4.076 30 40 FIEB CCc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(OC)c(OC)c2)S1 5376472 XMARWRLMRPHONZ-PDGQHHTCSA-N 368.458 4.158 30 40 FIEB Oc1ccc(/C=N/Nc2nnc(Cc3ccccc3)c3ccccc23)cc1 5603722 NBMIFLKPDZTTTR-HZHRSRAPSA-N 354.413 4.372 30 40 FIEB COc1cc(OC)c(OC)cc1/C=N/Nc1ccccc1C(F)(F)F 6735486 CCBZBEWMYVKBHP-UFFVCSGVSA-N 354.328 4.177 30 40 FIEB COCCn1c(S[C@@H](C#N)Cc2ccc(C)cc2)nc2ccccc21 8390539 ZXTPNRFHKDLNAY-QGZVFWFLSA-N 351.475 4.218 30 40 FIEB O=C(/C=N/OCc1cc(F)cc2cccnc12)Nc1ccccc1Cl 31609728 YXBCNOSGPQZIGT-LSHDLFTRSA-N 357.772 4.168 30 40 FIEB CCNC(=S)N/N=C\c1ccccc1OCc1cccc2ccccc12 34688838 JSZWJLGYMZSKDE-UCQKPKSFSA-N 363.486 4.237 30 40 FIEB N#Cc1ccc(CN2C(=O)CS/C2=C\C(=O)c2cccc(Cl)c2)cc1 58163973 ZIWUFHLJEALIFD-OCKHKDLRSA-N 368.845 4.011 30 40 FIEB Cc1ccccc1OC[C@@H](O)CON=C1c2ccccc2-c2ccccc21 95117235 CVWNSJHSEAALEM-QGZVFWFLSA-N 359.425 4.184 30 40 FIEB COc1ccc2c(c1)C(=O)/C(=C/c1c(C)nn(-c3ccccc3)c1C)CO2 98004438 BMNBUZPLUCVLOP-LFIBNONCSA-N 360.413 4.156 30 40 FIEB C#CCOC(=O)c1cc(Cl)c(OCc2ccc(F)cc2)c(OCC)c1 216828991 NMCDJLXVQDYNMB-UHFFFAOYSA-N 362.784 4.247 30 40 FIEB Cc1cc([N+](=O)[O-])ccc1N=C1NC(=O)/C(=C\c2ccccc2Cl)S1 408751739 AYJZDFDHNFIFRD-OQLLNIDSSA-N 373.821 4.448 30 40 FIEB Cc1noc(C)c1-c1cc(N)c2ncn(Cc3ccc([C@H]4CO4)cc3)c2c1 1772768867 XINQCOMOQIYWTG-LJQANCHMSA-N 360.417 4.010 30 40 FIEB Cc1ccc2nc(SCC(=O)N3c4ccccc4C[C@H]3C)c(C#N)cc2c1 4848875 ZEOPBTPANBEFIX-OAHLLOKOSA-N 373.481 4.485 30 40 FIEB O=C1C[C@H](c2ccc(F)cc2F)C2=C(C[C@H](c3ccc(F)cc3)CC2=O)N1 6820320 WKVWTEXFFVVCRM-BLLLJJGKSA-N 371.358 4.108 30 40 FIEB N#Cc1cccc(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)c1 12752241 DDSLSJXRDSHJRG-UHFFFAOYSA-N 354.369 4.256 30 40 FIEB CCOC(=O)C1=C(CC)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1 19314516 NPQSWRYGJGMDMN-GOSISDBHSA-N 353.462 4.244 30 40 FIEB CN1/C(=C\C(=O)COC(=O)CCC2CCCC2)C(C)(C)c2ccccc21 32797494 AUFGFKRRBLABDR-ZHZULCJRSA-N 355.478 4.381 30 40 FIEB Cc1nc(S[C@H](C)C(=O)NC[C@H](C)c2ccccc2)c(C#N)c(C)c1C 32887941 JKUJOQKORAYGEK-SUMWQHHRSA-N 367.518 4.279 30 40 FIEB C=CCOc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1 62223948 SOODOIWNYORDKR-UHFFFAOYSA-N 350.462 4.172 30 40 FIEB O=C(O)c1cccc2c1-c1ccc(/N=C\c3ccc4c(c3)OCO4)cc1C2=O 104106942 VKSURLDBHGEESY-RMORIDSASA-N 371.348 4.076 30 40 FIEB COc1ccccc1/C=C/C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 941491 VYFBYEKVJJTKFT-AORWBKJGSA-N 352.459 4.405 30 40 FIEB O=C1/C(=C/c2cccs2)Oc2c1ccc(O)c2CN1CCCCCC1 2324028 RAMRVNMFLOGQHF-PDGQHHTCSA-N 355.459 4.446 30 40 FIEB CCCCn1c(NC(=O)c2ccco2)c(C#N)c2nc3ccccc3nc21 2351931 KMEZFETVEYLRBC-UHFFFAOYSA-N 359.389 4.102 30 40 FIEB C=CCSc1nc2sc3c(c2c(=O)n1CC=C)C[C@@](C)(CC)OC3 2353105 NZGAZJXYNMTXEP-GOSISDBHSA-N 362.520 4.164 30 40 FIEB Cc1ccsc1/C=C1\Oc2cc(OCC(=O)OC(C)C)ccc2C1=O 2401755 JQXTYKRYYKILHA-SXGWCWSVSA-N 358.415 4.003 30 40 FIEB COc1cc(Br)cc(/C=N/c2cc(Cl)ccc2O)c1O 5320483 MAYUTEXFMJRMFS-REZTVBANSA-N 356.603 4.273 30 40 FIEB C=CCNc1nc(C(=O)OCC(=O)Nc2ccccc2[C@H](C)CC)cs1 7981929 ZENJVZIEGXYLJG-CYBMUJFWSA-N 373.478 4.050 30 40 FIEB Cc1ccc(/N=C2/N=C(O)/C(=C3/C(=O)N(C)c4ccccc43)S2)cc1C 13773754 ZQDOPPIKSPIPEA-MSUUIHNZSA-N 363.442 4.382 30 40 FIEB C=CCn1c(-c2ccccc2)cnc1SCC(=O)Nc1nc(C)cs1 44085674 YAEQYPRFCRCPOL-UHFFFAOYSA-N 370.503 4.232 30 40 FIEB N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(C(F)(F)F)nn1 96006620 FWNOAWHTKMKWGC-UHFFFAOYSA-N 368.318 4.286 30 40 FIEB CC(=O)Nc1ccc(/N=C/c2ccccc2I)cc1 408551180 MAGCGGVGAUGWIS-LICLKQGHSA-N 364.186 4.000 30 40 FIEB C/N=C1\S/C(=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)C(=O)N1C 408761940 HZUKVFNDUFEZKJ-GZUVOCMGSA-N 359.882 4.279 30 40 FIEB COc1cc(Cl)c(-c2c(-c3ccccc3)c[nH]c(=N)c2C#N)cc1OC 408981190 VEIFYRVBKKDIDV-UHFFFAOYSA-N 365.820 4.370 30 40 FIEB O=[N+]([O-])c1cc(Br)cc(/C=N\c2ccc(Cl)cc2O)c1O 409107474 VXUVJSDCJSNVEN-SOFYXZRVSA-N 371.574 4.173 30 40 FIEB Cc1ccc2nc(SCC(=O)N[C@H]3CCCC[C@H]3C)c(C#N)cc2c1 1222322 OBYDIAGTKPXSAJ-PBHICJAKSA-N 353.491 4.202 30 40 FIEB CC1(C)SC(=S)N(Cc2ccccc2)[C@@H]1/[N+]([O-])=C/c1cccs1 1436797 MFRGRJRPNSINOA-VUFYJBQKSA-N 362.545 4.316 30 40 FIEB O=C(/C=C/c1ccc(Br)cc1)c1cc2ccccc2oc1=O 3911095 PAOWCYOCGZAQIT-JXMROGBWSA-N 355.187 4.452 30 40 FIEB C=CCn1c(-c2ccc(Br)cc2)cs/c1=N/N=C(C)C 5274680 RPDBNASCOSIZKP-OBGWFSINSA-N 350.285 4.462 30 40 FIEB C=CCOc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1 8073596 PUBHBNAUNVTYOK-UHFFFAOYSA-N 352.434 4.032 30 40 FIEB COc1ccc(/N=C2/C(=O)N3c4c2cc(OC)cc4[C@H](C)CC3(C)C)cc1 12406430 GVHFQHAYRAHYQW-AIKVESQPSA-N 364.445 4.457 30 40 FIEB CCCCC(=O)NC(NCc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F 12419545 XQPPWGNQBKMUQZ-UHFFFAOYSA-N 374.300 4.043 30 40 FIEB CN(C(=O)c1cnccn1)/C(=N/c1ccc2ccccc2c1)c1ccccc1 58168535 GRMIWPWOHZIGOH-XTCLZLMSSA-N 366.424 4.480 30 40 FIEB COc1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1C 409108904 ZHZZNODPUGWGRO-AWQFTUOYSA-N 353.300 4.377 30 40 FIEB COc1cc(C(=O)Nc2cc(Cl)ccc2C#N)ccc1OC(F)F 2793656 JPTPPQHGQKLBIL-UHFFFAOYSA-N 352.724 4.074 30 40 FIEB COc1ccc([C@@H](/C=N/OCc2ccc(Cl)cc2)C(C)=O)cc1OC 5283737 AEXQMGUYGBLMQU-RYFGYPJOSA-N 361.825 4.232 30 40 FIEB COc1ccc([C@H]2CCCCCN2CC(=O)Nc2ccc(C#N)cc2)cc1 12995018 SEIHYCCTCLQVCS-OAQYLSRUSA-N 363.461 4.123 30 40 FIEB CCCC[C@@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccccc1OC 35147543 MZTQFNCSNRDZOG-DNVCBOLYSA-N 359.466 4.196 30 40 FIEB COc1ccc(/C=N/c2c(C)nn(-c3ccc([N+](=O)[O-])cc3)c2C)cc1 408974638 FTTCGDWQZQPJPF-UDWIEESQSA-N 350.378 4.157 30 40 FIEB CCOC(=O)[C@H]1C(=O)C=C(c2cccs2)C[C@H]1c1ccc(N(C)C)cc1 812537 AWEFHQHEUGHFCJ-FXAWDEMLSA-N 369.486 4.133 30 40 FIEB COc1ccccc1N1C(=O)CC[C@@]1(C#N)c1ccc(Br)cc1 2221015 VMYXOSOIEJLBEE-GOSISDBHSA-N 371.234 4.004 30 40 FIEB C[C@@H](C(=O)Nc1ccc(C#N)cc1)N(C)Cc1cccc(Cl)c1Cl 3540459 IYIUYBXIZIIPIN-LBPRGKRZSA-N 362.260 4.324 30 40 FIEB C=CCSc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C1=C(CCCC1=O)N2 4436254 GXANLUZZRIGFIA-INIZCTEOSA-N 372.881 4.232 30 40 FIEB Cc1ccc(/C=N/Nc2nc3ccccc3c(=O)n2-c2ccccc2)c(C)c1 8306411 SASZWCRVCWLZNK-BUVRLJJBSA-N 368.440 4.449 30 40 FIEB Cc1ccc(OCc2nc(C)c(C(=O)Nc3ccc(C#N)cc3)s2)cc1 12972180 PHOBXKWIRCCHLE-UHFFFAOYSA-N 363.442 4.463 30 40 FIEB N#Cc1ccc(NC(=O)c2cccc(OCc3cscn3)c2)cc1Cl 16707500 XOZDTBJHWREZLY-UHFFFAOYSA-N 369.833 4.499 30 40 FIEB N#C[C@@H]1C(=O)Nc2nc3ccccc3n2[C@H]1c1ccc(Cl)c(Cl)c1 20637971 AVTVAJOGOSZAQL-BONVTDFDSA-N 357.200 4.024 30 40 FIEB C=CCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 224889324 SXZPOSNQTBMLNM-UHFFFAOYSA-N 372.490 4.150 30 40 FIEB C=CCOc1cccc(NC(=S)NC2(c3cccnc3)CCCC2)c1 225868675 LCTCDFAOTBLZJM-UHFFFAOYSA-N 353.491 4.402 30 40 FIEB C=CCC[C](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1560408691 UABZPEOJVLJITA-UHFFFAOYSA-N 350.394 4.108 30 40 FIEB Cc1ccccc1-c1nc(C#N)c(S(=O)(=O)c2ccc(Cl)cc2)o1 1775976877 RAKZDQUTIOTVCC-UHFFFAOYSA-N 358.806 4.008 30 40 FIEB COc1cc(/C(C)=N/Nc2ncnc3sc4c(c23)CCCC4)ccc1O 5244874 XJXDMDXCDPNYGQ-SSDVNMTOSA-N 368.462 4.120 30 40 FIEB N#Cc1cccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)c1 14282618 CPPFTWULDAOQKM-UHFFFAOYSA-N 360.392 4.014 30 40 FIEB COc1cc(COC(=O)c2cccc(C#N)c2)cc(Cl)c1OC(F)F 24831221 OWEKWYQZZZDOSP-UHFFFAOYSA-N 367.735 4.179 30 40 FIEB O=C(/C=C/Nc1ccc(OC(F)(F)F)cc1)c1ccc2c(c1)OCO2 44842716 UMQQSEMOOPGKFA-BQYQJAHWSA-N 351.280 4.122 30 40 FIEB Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc2c(c1)OCO2 49723964 KWPKTSOJDUQOIY-UHFFFAOYSA-N 373.368 4.035 30 40 FIEB N#CCc1ccc(C(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)cc1 89878901 IUDUWVXCHFJVPC-UHFFFAOYSA-N 352.397 4.320 30 40 FIEB CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)[C@@H](C)C[C@]4(C)[C@@]3(F)[C@H](O)C[C@]12C 118929598 CTXGUGSLVSMAHY-DGLOSGAVSA-N 362.485 4.032 30 40 FIEB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OC(C)=O)cc1C#N 225848892 IHYHAVBEFMXPSF-HXUWFJFHSA-N 360.454 4.188 30 40 FIEB C=CCOc1c(Cl)cc(/C=C2/SC(=O)N(CC)C2=O)cc1OCC 409310639 BSOLQSSJIVTKHV-GXDHUFHOSA-N 367.854 4.360 30 40 FIEB CCc1cc(OCc2ccccc2)c(F)cc1B1OC(C)(C)C(C)(C)O1 1565504628 GGGMBSBQEAELRI-UHFFFAOYSA-N 356.246 4.266 30 40 FIEB N#Cc1ccc(Oc2ccc(NC(=O)c3ccccc3C(=O)O)cc2)cc1 849544 HJDDLSDLTRCPNO-UHFFFAOYSA-N 358.353 4.301 30 40 FIEB C[C@H](/N=C/c1ccc(N(C)C)cc1)[C@H](C)/N=C/c1ccc(N(C)C)cc1 2252306 CBTYNBOPINAJTN-ASXISLTGSA-N 350.510 4.134 30 40 FIEB COc1cc(/C=N/Nc2nc3ccccc3[nH]2)ccc1OCCC(C)C 4865098 ZIGUMULBIHEKHA-FYJGNVAPSA-N 352.438 4.442 30 40 FIEB Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(Br)o3)S2)cc1 5376708 HLBZYZIFYFQYCZ-XYOKQWHBSA-N 363.236 4.242 30 40 FIEB N#C[C@@H](C(=O)C(=O)NC12CC3CC(CC(C3)C1)C2)c1cccc2ccccc12 5739942 YPDCRJIUSJUQBC-FRIJYXMCSA-N 372.468 4.101 30 40 FIEB COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1OCC(=O)O 7740951 SVVFYTOGCWNNOC-UXBLZVDNSA-N 362.381 4.208 30 40 FIEB C=C(C)COc1cccc(CN2CCC(O)(c3ccccc3OC)CC2)c1 12344840 KBEQRWJSZBMMMZ-UHFFFAOYSA-N 367.489 4.134 30 40 FIEB COCc1cc(C)nc(N/N=C\c2ccc(-c3ccc(F)cc3)o2)c1C#N 15018754 UQDGEYIYWUAPPO-KSEXSDGBSA-N 364.380 4.253 30 40 FIEB C/C(O)=N/S(=O)(=O)c1ccc(N/N=N/c2ccccc2Cl)cc1 17128909 HVTDDEDHPNEESM-UHFFFAOYSA-N 352.803 4.116 30 40 FIEB N#CCN(C(=O)COc1ccc(Cl)c2ccccc12)c1ccccc1 23866831 PJYOSXNTCJNZAU-UHFFFAOYSA-N 350.805 4.429 30 40 FIEB C=CCn1c(-c2cccnc2)nn(CN2CCC[C@@H]3CCCC[C@H]32)c1=S 36390198 WGSVHGOUGIJFSK-FUHWJXTLSA-N 369.538 4.274 30 40 FIEB COc1ccc2c(c1)CCc1sc(/N=C/c3ccc4c(c3)OCO4)nc1-2 59459289 UTIIEHYOOCKSJT-UFFVCSGVSA-N 364.426 4.397 30 40 FIEB CC(C)N1C(=O)/C(=C\c2ccc(O)cc2O)S/C1=N\c1ccccc1 408913209 SCCHOQYLHLNPLQ-MVLGTPAKSA-N 354.431 4.110 30 40 FIEB O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccccc2Cl)c1O 3155794 RFYAUHOEVSRYGP-FRKPEAEDSA-N 355.575 4.467 30 40 FIEB CC(=O)[C@H]1[C@H](N2CC2)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 4896642 AJTIMAJVSIBUNA-AULMYGDYSA-N 355.522 4.018 30 40 FIEB O=C(/C=C/c1cccc(F)c1)c1ccc(I)cc1 6224940 LIYFXRLXHMGXSQ-RUDMXATFSA-N 352.146 4.326 30 40 FIEB Cc1ccc(-n2c(C)cc(/C=N\Nc3ccc([N+](=O)[O-])cn3)c2C)c(C)c1 13144719 KKDUOESRYWDKQM-JJFYIABZSA-N 363.421 4.460 30 40 FIEB COc1cc(/C=C2/CCC/C(=C/c3ccc(O)c(OC)c3)C2=O)ccc1O 13519235 DHKKONBXGAAFTB-APGQMXJTSA-N 366.413 4.335 30 40 FIEB in-vitro C=CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1Cl 19087732 OFULCNJVSHETTM-QGZVFWFLSA-N 353.805 4.104 30 40 FIEB Cc1ccc(-c2ccc(C#N)c(SCC(=O)NCCC(C)C)n2)cc1 33011148 SDXBNLXGWNWNDN-UHFFFAOYSA-N 353.491 4.183 30 40 FIEB CCCC/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1cc(C)cc(C)c1O 55146007 AGASEQWQVZDWFQ-XUTLUUPISA-N 374.506 4.190 30 40 FIEB CCc1nc(CO/N=C(/N)c2ccccc2OCc2ccccc2)cs1 89289959 WPWXZPKRQSEDFH-UHFFFAOYSA-N 367.474 4.122 30 40 FIEB C=CCn1c(CCCC)nnc1SCC(=O)Nc1ccc(Cl)cc1 408563635 VZHFOLHQYXEQFW-UHFFFAOYSA-N 364.902 4.191 30 40 FIEB