smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1ccccc1/C=N/Nc1cc(C)nc(-n2nc(C)cc2C)n1 4672994 JKJLHGBOKWUCPK-YBFXNURJSA-N 336.399 3.042 30 40 EGEB C=CCO[C@@H](C)C(=O)Nc1nnc(SCc2cccs2)s1 58363595 LILOWWVRHIWKIU-VIFPVBQESA-N 341.483 3.422 30 40 EGEB N#Cc1c(CN2CCN(CCc3ccccc3)CC2)cn2ccccc12 58355688 MZCGNTZTYZJMJK-UHFFFAOYSA-N 344.462 3.171 30 40 EGEB CCCNC(=O)c1c(/N=C/c2ccccc2C(F)(F)F)cnn1C 2797919 BHIUGNAHSOFCPA-ZVBGSRNCSA-N 338.333 3.329 30 40 EGEB N#CCCn1c(SCC(=O)N2CCCCCC2)nc2ccccc21 12539927 VFAOBZWKKUZHGN-UHFFFAOYSA-N 342.468 3.445 30 40 EGEB CC(=O)Nc1ccccc1OCC(=O)Nc1ccc(C#N)c(Cl)c1 6064077 UXVSMOABVBBZHO-UHFFFAOYSA-N 343.770 3.188 30 40 EGEB O=C(O)c1ccc(/C=C/C(=O)c2ccc(N3CCCC3=O)cc2)cc1 5231539 USPIQDQGHYKBKJ-LFYBBSHMSA-N 335.359 3.408 30 40 EGEB C=CCNC(=O)CSc1cc(C)c(C#N)c2nc3ccccc3n12 6653655 OOAWDLAWBKNCJE-UHFFFAOYSA-N 336.420 3.062 30 40 EGEB CCc1ccc(C[C@H]2S/C(=N/N=C/c3cccs3)NC2=O)cc1 5961712 PENCTNJKHOJIGG-CLXYIWAZSA-N 343.477 3.475 30 40 EGEB Cc1csc([C@@H]2CCCCN2C(=O)c2ccc(C#N)c(C)n2)n1 72273811 MOYTVVILDCTEFF-HNNXBMFYSA-N 326.425 3.394 30 40 EGEB Cc1cccc(NC(=O)[C@H](C)O/N=C(/N)c2nccc3ccccc23)c1 72281945 LGEVLXVBWYHJKM-AWEZNQCLSA-N 348.406 3.207 30 40 EGEB C[C@H](C(=O)Nc1ccc(C#N)cc1)N1CCC[C@H](C(F)(F)F)C1 9048768 OWGAMMJDMVFECU-YPMHNXCESA-N 325.334 3.160 30 40 EGEB C=CCSc1ccccc1NC(=O)c1n[nH]c(=O)c2ccccc12 9050706 VBOULMZNOXUJTR-UHFFFAOYSA-N 337.404 3.454 30 40 EGEB C[C@@H](C#N)CN(C)C(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1 71185724 PEOBCIRWFNBRNJ-NSHDSACASA-N 343.818 3.030 30 40 EGEB Cn1cc([C@@H]2C[C@@H]2C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)cn1 68456383 BCKOQZHERXULPW-HUBLWGQQSA-N 349.221 3.211 30 40 EGEB C/C(=N\NC(=S)NCC(F)(F)F)c1ccc2ccccc2c1O 585146009 OWZDHYIDSMKCCU-AWQFTUOYSA-N 341.358 3.296 30 40 EGEB O=C(N[C@@H](CSc1ccccc1)[C@H]1CO1)OCc1ccccc1 34467959 PTFJNZDQRVPSQX-DLBZAZTESA-N 329.421 3.473 30 40 EGEB in-vitro CC(=O)Nc1ccc(/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 226217 VQHAVXWHGDULTD-CAOOACKPSA-N 327.296 3.033 30 40 EGEB COc1cccc(C(=O)/C=C2/Nc3cc(Cl)ccc3OC2=O)c1 100166408 DOMJKRAQRSCUSH-NTEUORMPSA-N 329.739 3.446 30 40 EGEB C=C1[C@H](O)[C@@]23CC[C@@H]1C[C@@H]2[C@]12CCC[C@](C)(CN(CCO)C1)[C@H]2CC3 4726503 KNYGXNFGZONVKK-NGEYSQDSSA-N 345.527 3.214 30 40 EGEB CC1=C(C)C[C@@H](C(=O)Nc2sc3c(c2C#N)CCC3)[C@@H](C(=O)O)C1 213897 GNXSJHRLGPQJHL-OLZOCXBDSA-N 344.436 3.494 30 40 EGEB C[C@]1([N+](=O)[O-])C(=O)[C@@]2(N3CCCCC3)CCC[C@H]2[C@H]1c1ccccc1 6482275 VGFYHNWVCSUSBB-ONCXSQPRSA-N 342.439 3.413 30 40 EGEB C=CCNC(=S)N/N=C\c1cc(C)n(-c2ccc(OC)cc2)c1C 6961839 DXQKNBHIKGFTDH-NDENLUEZSA-N 342.468 3.087 30 40 EGEB CCc1ncncc1/C(O)=N/c1nc(-c2cccc(Cl)c2)n[nH]1 75141473 LSOHZJVSAUUSMF-UHFFFAOYSA-N 328.763 3.114 30 40 EGEB O=C1Nc2c(cc(Cl)cc2[N+](=O)[O-])N/C1=C\C(=O)c1ccccc1 104238003 SCXHYMIVFCTSFV-WQLSENKSSA-N 343.726 3.379 30 40 EGEB N#C/C(=N\Nc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1Cl 103743972 SAWHPADPYSZDPG-XMHGGMMESA-N 328.715 3.423 30 40 EGEB C[C@]12CN(C(=O)c3cccc([N+](=O)[O-])c3)[C@]3(C#N)C[C@@H]1CC[C@@]23C 100920904 VVPWYMMLGFSQBL-MGHWNKPDSA-N 325.368 3.139 30 40 EGEB COC(=O)c1sc2ncc(C(=O)/C=C/c3cnn(C)c3)cc2c1C 24825321 HYNTXZBZSRESKS-SNAWJCMRSA-N 341.392 3.021 30 40 EGEB CN(CCC(=O)Nc1sccc1C#N)Cc1ccc(F)cc1F 24959551 XXRXKXSHUNCUEP-UHFFFAOYSA-N 335.379 3.359 30 40 EGEB CC1(C)CC(=O)C(=CN=c2cc(-c3ccc(Cl)cc3)[nH][nH]2)C(=O)C1 408920495 JJYMVEBTQHLWJT-UHFFFAOYSA-N 343.814 3.406 30 40 EGEB N#Cc1ccc(OCC(=O)Nc2cccc(Br)c2)cc1 3448171 BKXUIANNGMSYTM-UHFFFAOYSA-N 331.169 3.338 30 40 EGEB N#Cc1ccc(NC[C@@H]2CCN(Cc3cccc4cccnc34)C2)nc1 65496591 FZXUANYYAXKUEZ-KRWDZBQOSA-N 343.434 3.435 30 40 EGEB N#Cc1ccc(NC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)cc1Cl 6471148 CUJGFXJTYBXTCU-ZDUSSCGKSA-N 345.830 3.331 30 40 EGEB CCCCNc1nc(N2CCCCC2)c(C#N)c2c1CN(C)CC2 5736789 JVFKRZPBFWFWDV-UHFFFAOYSA-N 327.476 3.143 30 40 EGEB Cc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])c(C)n1-c1cccnc1 409108759 YVJPLSDOXITCHV-KEBDBYFISA-N 336.355 3.238 30 40 EGEB COc1cc2c(cc1/C=N\c1ccc(N3CCOCC3)cc1)OCO2 409068456 GLWSXRWTDAECCK-NDENLUEZSA-N 340.379 3.011 30 40 EGEB C#Cc1cc(F)c(NC(=O)N[C@@H](C)Cc2c(C)noc2C)c(F)c1 95977125 NHCUSJVCKCSTCS-VIFPVBQESA-N 333.338 3.304 30 40 EGEB Cc1ccc(NC(=O)COC(=O)c2ccc(C#N)cc2F)cc1C 409209057 FFWYUBMMAUPFDI-UHFFFAOYSA-N 326.327 3.110 30 40 EGEB N#Cc1cc2c(nc1S[C@@H](C(N)=O)c1ccc(F)cc1)CCCC2 73312558 GQGOKSMGGXSFCV-MRXNPFEDSA-N 341.411 3.290 30 40 EGEB N#Cc1nc(COc2ccc3c(c2)OCO3)oc1NCc1ccco1 32092918 YUYIEOKEXXRIRZ-UHFFFAOYSA-N 339.307 3.059 30 40 EGEB C=CCN(c1cccc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 224792475 QCKBGLYKWGCQHJ-UHFFFAOYSA-N 347.436 3.394 30 40 EGEB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OC(C)=O)c(C#N)c1 225803176 JVHYXVKAPUFHBH-GOSISDBHSA-N 332.400 3.407 30 40 EGEB C[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)C1CCOCC1 96477415 KBTIGMFQWMSQNV-YOEHRIQHSA-N 331.435 3.071 30 40 EGEB CC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1C#N)c1nccs1 95432855 VBEWLTIHBJPCHM-LLVKDONJSA-N 341.845 3.098 30 40 EGEB C[C@]12CC=C3[C@@H](CC[C@@]45CC6(CC[C@@]34O5)OCCO6)[C@H]1CCC2=O 95092862 BAMMJXIMVWLRCU-JTZQZMJFSA-N 330.424 3.147 30 40 EGEB N#Cc1ccc(N2CCC[C@@H]2C(=O)NCc2ccco2)cc1Cl 97104429 FBHWLTJZAXFNKI-MRXNPFEDSA-N 329.787 3.090 30 40 EGEB Cc1ccc(NC(=O)NC2(c3ccc(C#N)cc3)CCC2)cc1C(N)=O 594065953 DYIUGTKTPRIZNQ-UHFFFAOYSA-N 348.406 3.167 30 40 EGEB N#Cc1ccnc(O[C@@H]2CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)c1 575612731 LWIPLAPIFHOTND-QGZVFWFLSA-N 346.390 3.118 30 40 EGEB C=CCOc1ccc(/C=C2/C(=O)NC(=O)c3ccccc32)cc1OC 30058196 WKERCVGEHVYZFL-LFIBNONCSA-N 335.359 3.071 30 40 EGEB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCC[C@@H](C)C4)[C@H]3[C@@H]3O[C@@]132 105366529 CSUXALKSMYDBAB-GENUPLJUSA-N 347.499 3.244 30 40 EGEB biogenic COc1ccc(Cl)cc1C(=O)OCC(=O)Nc1cccc(C#N)c1 3497904 LTZSNNNWPYUHQP-UHFFFAOYSA-N 344.754 3.016 30 40 EGEB N#Cc1cnn(C(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1N 64447578 OTELGBKBIJGUHC-UHFFFAOYSA-N 346.268 3.304 30 40 EGEB COc1ccc(-c2c[n+](CC(=O)Nc3ccccc3)c3n2CCC3)cc1 13786985 UVRLMAWGXQPCBV-UHFFFAOYSA-O 348.426 3.036 30 40 EGEB Cc1ccc(-n2nnnc2[C@@H](C#N)C(=O)c2cccc(Cl)c2)cc1 16311444 JGBFUYXKTKKEHD-HNNXBMFYSA-N 337.770 3.114 30 40 EGEB CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(Cn2cccn2)cc1 69201241 DGIRGYAZJMZCOM-UHFFFAOYSA-N 345.406 3.467 30 40 EGEB Cc1csc2nc(COc3ccc(C#N)cc3Cl)cc(=O)n12 18963643 NLBDMGWPYJUZAD-UHFFFAOYSA-N 331.784 3.169 30 40 EGEB C=CCn1c(SCc2nccc(N)n2)nnc1-c1cccc(C)c1 89678077 GOFQQCCBKHXALT-UHFFFAOYSA-N 338.440 3.104 30 40 EGEB CCN(C)c1ccccc1NC(=O)N(CCC#N)Cc1ccccn1 89960894 HINCNMNSLYNSFX-UHFFFAOYSA-N 337.427 3.485 30 40 EGEB CC(C)N(C)Cc1cnc2n1CCN(Cc1cccc(C#N)c1)[C@@H]2C 96201208 SVIQJRUIOUKZLX-MRXNPFEDSA-N 337.471 3.172 30 40 EGEB N#CC1(CS(=O)(=O)N(Cc2ccccc2Cl)CC2CC2)CC1 285314418 NDLGUHSFFWFYDB-UHFFFAOYSA-N 338.860 3.186 30 40 EGEB N#Cc1ccccc1NC(=O)[C@@H]1CCCN(c2ccc(C3CC3)nn2)C1 826797313 UHAYHNYTGCEUNX-MRXNPFEDSA-N 347.422 3.081 30 40 EGEB COc1cc(/C=N\OCC(=O)Nc2ccccc2)cc(Cl)c1OC 107781737 AOLQAARZLLYKSY-GRSHGNNSSA-N 348.786 3.346 30 40 EGEB C[C@@]12CC(=O)[C@@]3(F)[C@@H](CCC4=CC(=O)CC[C@]43C)[C@H]1CCC(=O)O2 104014029 KZCAONRIBQAREG-CTMNZFAUSA-N 334.387 3.085 30 40 EGEB O/C(CCN1CCN(c2ccccn2)CC1)=N\c1ccc(F)c(F)c1 12878936 ZYYKZFUFDJHGML-UHFFFAOYSA-N 346.381 3.160 30 40 EGEB CC(=O)N[C@@H](CC(=O)[C@H](C#N)c1ccccn1)c1ccc(Cl)cc1 49457173 DUJFPXGHSQIBCV-WBVHZDCISA-N 341.798 3.179 30 40 EGEB CSc1nc2n(n1)[C@@H](c1cccc(C)c1)C1=C(CCCC1=O)N2 4436084 AFMQMRCPSXSRKR-HNNXBMFYSA-N 326.425 3.330 30 40 EGEB C#CCNC(=O)CSc1nc(-c2cccs2)nc2ccccc12 7292647 QJWBRBWJNJZOTJ-UHFFFAOYSA-N 339.445 3.200 30 40 EGEB CCC(=O)N1CCC[C@H]1[C@H]1CCCN1Cc1ccc(F)cc1C#N 69668095 ZTNOAAHURNCKGY-MSOLQXFVSA-N 329.419 3.063 30 40 EGEB CN(C)CCN(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 72309882 CECKCXXREDIPRG-UHFFFAOYSA-N 338.411 3.376 30 40 EGEB N#Cc1ccc([C@H](Nc2ccc(Br)c(F)c2)C(N)=O)cc1 76084427 LKYJHBTVTAHWRF-AWEZNQCLSA-N 348.175 3.098 30 40 EGEB N#Cc1cc([N+](=O)[O-])cnc1NC[C@H](O)c1ccc2ccccc2c1 67372960 LFPJDGHFPSPZQP-KRWDZBQOSA-N 334.335 3.160 30 40 EGEB CN(C(=O)CSc1ncnc2sccc12)C1(C#N)CCCCC1 6115685 SYYUQUVERXLLCY-UHFFFAOYSA-N 346.481 3.468 30 40 EGEB CC[C@H](C)[C@H](C)N(C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)C1CC1 65593229 WVWYVFKCJFQLNW-WFASDCNBSA-N 343.471 3.222 30 40 EGEB N#Cc1ccc(CCC(=O)N[C@@H](c2cccnc2)C2CCOCC2)cc1 225620132 QWYPKMKFAKHIMI-OAQYLSRUSA-N 349.434 3.170 30 40 EGEB N#Cc1ccc(-c2nc([C@H]3CC(=O)N(c4cccc(F)c4)C3)no2)cc1 44213953 QJPIXDXTGCTYDK-AWEZNQCLSA-N 348.337 3.268 30 40 EGEB O=C(O)COc1ccc(/C=N\c2ccc3c(c2)OCO3)cc1Cl 96447515 KEVYIQOFOQJNOH-WSVATBPTSA-N 333.727 3.283 30 40 EGEB CCOC(=O)[C@@H]1CCCN(c2oc(-c3ccc(F)cc3)nc2C#N)C1 3293027 KZNRYEODLFQTHD-CYBMUJFWSA-N 343.358 3.132 30 40 EGEB N#Cc1ccc(N2CC[C@H](N3CC=C(c4ccccc4)CC3)C2=O)cc1 30633944 VBQRKRHECPRMBU-NRFANRHFSA-N 343.430 3.453 30 40 EGEB N#Cc1ccccc1NC(=O)CCCC(=O)Nc1ccccc1C#N 142593 BSKNOFFWHYNOCQ-UHFFFAOYSA-N 332.363 3.177 30 40 EGEB CC(C)c1nc(C#N)c(NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)o1 27991049 PGSVUYNLTFJKIO-KRWDZBQOSA-N 341.459 3.450 30 40 EGEB CC(C)(C)c1ncc(C(=O)NCCNc2cccc(F)c2C#N)s1 62263763 IIBCLNFQVRSENA-UHFFFAOYSA-N 346.431 3.293 30 40 EGEB CCOc1ccccc1/C=N/OCC(=O)Nc1ccc(C(C)=O)cc1 3411928 LCBIYEJWXSQVDR-UDWIEESQSA-N 340.379 3.277 30 40 EGEB CCN(Cc1ccc(OC)c(F)c1)C(=O)COc1cccc(C#N)c1 8332893 HABBJSMHDJDNMR-UHFFFAOYSA-N 342.370 3.133 30 40 EGEB O=S(=O)(N/N=C/c1ccc(Cl)s1)c1ccc(Cl)cc1 6225703 SQTCZIRJQDYQGZ-VGOFMYFVSA-N 335.237 3.367 30 40 EGEB CC(C)[C@](C)(C#N)NC(=O)CN[C@@H](C)c1cccc(C(F)(F)F)c1 7989808 YKRJOZLIAPBQDL-LRDDRELGSA-N 341.377 3.410 30 40 EGEB C=CCn1c(SCC(=O)OC(C)C)nnc1-c1ccc(OC)cc1 6787723 VODKXOHSJGEDMR-UHFFFAOYSA-N 347.440 3.183 30 40 EGEB C=CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cccc(C)c1 69516902 IUTRXIWMQQSLJD-UHFFFAOYSA-N 333.391 3.020 30 40 EGEB C[C@@H]1C[C@H]1/C(O)=N/S(=O)(=O)c1ccc(F)cc1C(F)(F)F 71883910 XOGDRPKBPMDNCO-HTRCEHHLSA-N 325.283 3.146 30 40 EGEB Cn1ccnc1[C@@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1 9908766 ZOPVWDTWWBJFGX-KRWDZBQOSA-N 333.351 3.401 30 40 EGEB COC(C)(C)CCOc1c(N)cc(C#N)n1Cc1ccc(C)cc1 225878239 ZFNORABONLLIHH-UHFFFAOYSA-N 327.428 3.493 30 40 EGEB Cc1cc(C)c2c(c1)CN(C(=O)[C@H](C#N)Cc1ccc(C#N)cc1)CC2 280130343 VELJECRSQCBNMW-IBGZPJMESA-N 343.430 3.442 30 40 EGEB CC(C)(C)NC[C@H](O)COc1cc(Cl)ccc1C1=CC(=O)CC1 3623414 QACGCDWSRFDWQO-HNNXBMFYSA-N 337.847 3.214 30 40 EGEB in-man CCN(CC(=O)NCCc1ccccc1)[C@@H](C)c1ccc(C#N)cc1 40135378 VIDMKRSIRTWTKU-KRWDZBQOSA-N 335.451 3.300 30 40 EGEB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1cccc(C#N)c1 40494100 JRHQBNRIWCNLIS-CQSZACIVSA-N 328.437 3.155 30 40 EGEB Cc1cc([C@@H](C#N)C(=O)[C@H](C)Oc2ccc(F)c(F)c2)nc(C)n1 68722484 JDGMCNZPNMMMIR-GXFFZTMASA-N 331.322 3.015 30 40 EGEB CC(C)[C@@](C)(C#N)NC(=O)CNC(c1ccccc1)c1ccccc1 69302870 UEASDLNNHLROFW-OAQYLSRUSA-N 335.451 3.420 30 40 EGEB CCN(CC)C(=O)c1sc(NC(=O)c2cccnc2)c(C#N)c1C 2746682 LZGZYLNZTRPAOU-UHFFFAOYSA-N 342.424 3.058 30 40 EGEB COc1ccc(OC)c(CN(C(=O)c2ccc(C#N)cc2)C2CC2)c1 25804182 XTFJIJIYGZGWSM-UHFFFAOYSA-N 336.391 3.380 30 40 EGEB Cc1nc(N/N=C/c2ccc(O)cc2)c2cnn(-c3ccccc3)c2n1 4192866 PFBLAESCUOSMCU-RGVLZGJSSA-N 344.378 3.276 30 40 EGEB COc1cc([C@H]2C3=C(CCCC3=O)Nc3onc(C)c32)ccc1O 13689864 CUVVQDLJPGQKGB-MRXNPFEDSA-N 326.352 3.262 30 40 EGEB N#Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccncc2)cc1 8457496 HBTWENUPXUAOHL-IBGZPJMESA-N 349.415 3.021 30 40 EGEB N#Cc1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCCC2 5631049 FUDLCZYASOUKOC-OLZOCXBDSA-N 344.436 3.494 30 40 EGEB CC1=NN(c2ccccc2)C(=O)/C1=N\Nc1ccc(C)c([N+](=O)[O-])c1 5730619 NQNLWXXWZCKDIW-MNDPQUGUSA-N 337.339 3.094 30 40 EGEB C=CCO[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 69739091 VURVPLIBLFXTBL-SNVBAGLBSA-N 333.369 3.248 30 40 EGEB CCN(C[C@H](C)C#N)C(=O)c1cnc2c(F)c(Cl)ccc2c1O 72289307 LLGXLJFMSANYAK-SECBINFHSA-N 335.766 3.355 30 40 EGEB CC#C/C(O)=N/[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O 330031809 DOQGUNRHXSIQJH-GFCCVEGCSA-N 325.195 3.469 30 40 EGEB N#Cc1ccc(N2CCC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)cc1 96073656 ROVXEESMRNJKED-UXHICEINSA-N 335.407 3.160 30 40 EGEB O=C1c2cccc3cccc(c23)C(=O)N1/N=C\c1ccc2c(c1)OCO2 6222180 ISNIVSXIBKUIHU-FBHDLOMBSA-N 344.326 3.199 30 40 EGEB COc1ccc(C2=NN/C(=N\c3ccccc3[N+](=O)[O-])SC2)cc1 5692704 ARRBHPOPBZHFCT-UHFFFAOYSA-N 342.380 3.332 30 40 EGEB O=C1C(Cl)=C/C(=N/S(=O)(=O)c2ccccc2)c2ccccc21 106469551 UZFYJDSIBAZRIC-SDXDJHTJSA-N 331.780 3.184 30 40 EGEB C=CCSc1nnc(NC(=O)COc2ccc(C)cc2C)s1 7594283 KILHDFDZPNYUIJ-UHFFFAOYSA-N 335.454 3.451 30 40 EGEB CCOc1ccc([C@H](C)Nc2ncnc3c2cnn3CCC#N)cc1 65520293 VEWBPUVZZHBALV-ZDUSSCGKSA-N 336.399 3.312 30 40 EGEB N#Cc1ccc(S(=O)(=O)N[C@H]2CCSc3ccccc32)cc1 15584290 WPBGJZYWVHNKNZ-HNNXBMFYSA-N 330.434 3.074 30 40 EGEB Cc1nccn1[C@H]1CCCN(C(=O)c2cn(CC#N)c3ccccc23)C1 72234602 PZFHBZWOZWBHSQ-INIZCTEOSA-N 347.422 3.147 30 40 EGEB Cc1ccc(S(=O)(=O)OC[C@@H]2CCN(Cc3ccccc3)C2)cc1 34464827 RBXGJNNTFJVRQU-GOSISDBHSA-N 345.464 3.222 30 40 EGEB N#Cc1cccc(CN2CCC3(CC2)C[C@@H](Nc2ccccn2)CO3)c1 96221293 HQFACLBZJAQRCZ-LJQANCHMSA-N 348.450 3.189 30 40 EGEB C[C@H]1CCC[C@H](CC(=O)N2CCCN(c3ncccc3C#N)CC2)C1 69872431 QNKOTXBUHUAVOY-IRXDYDNUSA-N 340.471 3.208 30 40 EGEB Cc1ccc(-n2nc(C#N)c(N3CC[C@@H](c4ccccc4)C3)n2)cc1 256047240 LHENCDQKOFIYGJ-QGZVFWFLSA-N 329.407 3.441 30 40 EGEB C[C@@H]1C[C@H](NS(=O)(=O)Cc2cccc(C#N)c2)c2ccccc21 71888406 MKUUIFAYXCRXDA-ACJLOTCBSA-N 326.421 3.226 30 40 EGEB COc1cc(C#N)ccc1OCC(=O)N1CCc2sccc2[C@H]1C 53373571 JFTWEMQGZHNFEP-GFCCVEGCSA-N 342.420 3.153 30 40 EGEB C=CCc1cc(CNC(=O)CCc2ccco2)cc(OC)c1OC 50527761 YSIJZQFRJIGJOM-UHFFFAOYSA-N 329.396 3.274 30 40 EGEB CCOc1ccc([C@H]2CC(=O)OC3=C2C(=O)c2ccccc2C3=O)cc1 100207086 CWASPBAFJDHLFF-MRXNPFEDSA-N 348.354 3.449 30 40 EGEB CO/N=C/C(=N\Nc1ccc(C)cc1)C(=O)c1ccc(OC)cc1 100377519 PNUFWUWWYIVHBO-YKTCLATHSA-N 325.368 3.287 30 40 EGEB O=C(/C=C1\NCCc2cc3c(cc21)OCO3)C[C@H]1C[C@@H]2CC[C@H]1C2 105382735 CBAXMSGGEBAKNN-FZVWPQHYSA-N 325.408 3.297 30 40 EGEB C=CC(C)(C)N1C(=O)C(C(C)=O)=C(O)[C@H]1Cc1c[nH]c2ccccc12 8655793 GFYLTEZAERBSRX-MRXNPFEDSA-N 338.407 3.287 30 40 EGEB O=S(=O)(/N=C(\O)[C@@H]1CCCC[C@H]1C(F)(F)F)N1CCCCC1 52794033 YAXCHNSTEQVJLO-GHMZBOCLSA-N 342.383 3.042 30 40 EGEB COc1ccc(CC(=O)[C@@H](C#N)C(=O)Nc2cccc(C)c2)cc1F 103504113 SDGTYBBZYBDPCP-OAHLLOKOSA-N 340.354 3.033 30 40 EGEB Cn1c(-c2ccc3c(c2)OCO3)cnc1NCc1ccc(C#N)cc1 819158 HXWQKPXWYFXONO-UHFFFAOYSA-N 332.363 3.300 30 40 EGEB N#Cc1ccc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 22804761 MWYPYULOMHRJCP-UHFFFAOYSA-N 330.435 3.138 30 40 EGEB CC(C)(C)OC(=O)[C@H](Cc1ccccc1)N/C=C/C(=O)C(F)(F)F 102936336 YWEDSNOKPDMASD-LXKVQUBZSA-N 343.345 3.174 30 40 EGEB Cc1ccc2nc(CN(Cc3ccc(C#N)cc3)C(C)C)cc(=O)n2c1 58289252 GIWSITPHLVFMEL-UHFFFAOYSA-N 346.434 3.285 30 40 EGEB N#Cc1ccccc1OCc1ccc(C(=O)NCc2cccnc2)o1 48189846 IUEDXAAPNWHTII-UHFFFAOYSA-N 333.347 3.055 30 40 EGEB Cc1ncc(/C=C/C(O)=N/S(=O)(=O)Cc2ccc(F)cc2)s1 79029110 JNYNLZIDHAOQGW-VOTSOKGWSA-N 340.401 3.090 30 40 EGEB CC(C)[C@](C)(C#N)NC(=O)CNc1ccccc1SC[C@H](C)C#N 69704055 RRZHBFJYTRZTOP-KDOFPFPSSA-N 344.484 3.405 30 40 EGEB COc1ccc(/C=C2\S/C(=N/c3ccc(O)cc3)NC2=O)cc1 16770041 ACYPWCBMXGKTQA-GDNBJRDFSA-N 326.377 3.292 30 40 EGEB C[C@](C#N)(NC(=O)CNc1cccc(CC(F)(F)F)c1)C1CC1 96427592 WLEDKAKZAWELOC-OAHLLOKOSA-N 325.334 3.012 30 40 EGEB CC[C@@H](CC#N)NC(=O)Nc1cc(N2CCCC2=O)ccc1Cl 97163252 INLFDIDBACLHJC-NSHDSACASA-N 334.807 3.281 30 40 EGEB CCC(CC)n1ncc(/C(O)=N/S(=O)(=O)c2ccsc2)c1C 95441504 OYRWKIJKFVGPOX-UHFFFAOYSA-N 341.458 3.308 30 40 EGEB COc1cc(/C=C2\S/C(=N/c3ccccc3F)NC2=O)ccc1O 33381688 NBLULSWUEHEEHR-DHDCSXOGSA-N 344.367 3.432 30 40 EGEB N#C[C@H](c1c(F)cccc1Cl)N1CCC[C@H](N2CCCC2=O)C1 96443341 OEOYPTGPOZSVPX-SWLSCSKDSA-N 335.810 3.131 30 40 EGEB N#CCCCS(=O)(=O)Nc1ccc(OC2CCCC2)c(F)c1 96426123 BTTVUCUABFMSRG-UHFFFAOYSA-N 326.393 3.193 30 40 EGEB CC1(C)[C@@H](NS(=O)(=O)CC2(C#N)CCCC2)[C@@H]1c1ccccc1 599374152 HHVQNBNFNQUSQO-HOTGVXAUSA-N 332.469 3.182 30 40 EGEB Cc1ccc(Sc2ccc(/C=N/NC(N)=S)cc2[N+](=O)[O-])cc1 8318531 IBVHMIDBQVIBGZ-RQZCQDPDSA-N 346.437 3.222 30 40 EGEB O=C(Nc1cccc(/C=N/N2CCOCC2)c1)c1ccc(Cl)cc1 8852000 RMDKBBXDVLMMOX-DEDYPNTBSA-N 343.814 3.258 30 40 EGEB N#Cc1c(NC(=O)[C@H]2COc3ccccc3O2)sc2c1CCCC2 138394 GPFCCUGOPORAEN-OAHLLOKOSA-N 340.404 3.277 30 40 EGEB COc1cc(C#N)ccc1O[C@@H](C)C(=O)NCCC1=CCCCC1 8488572 JIMUZPJOTLHGEJ-AWEZNQCLSA-N 328.412 3.341 30 40 EGEB COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccccc1C#N 569261 XQXUPPVPPHMDLJ-UHFFFAOYSA-N 345.811 3.347 30 40 EGEB C[C@H](Nc1ncccc1C#N)[C@@H](O)c1ccc(Br)cc1 58217686 NFGCPJSEPVYXRL-IINYFYTJSA-N 332.201 3.250 30 40 EGEB COc1ccc2c(COC(=O)c3cccc(C#N)c3)cc(=O)oc2c1 7395597 BCZQEZPHQRTAHA-UHFFFAOYSA-N 335.315 3.030 30 40 EGEB C=CCc1cc(OC)cc(CN2CCN(c3ccccc3)CC2)c1O 7314519 NROKEGOXESRDJX-UHFFFAOYSA-N 338.451 3.452 30 40 EGEB CC[C@H](C)n1nccc1NC(=O)[C@H](C)N(C)Cc1ccc(C#N)cc1 65590578 RKCJQVBPKKOHGY-GJZGRUSLSA-N 339.443 3.185 30 40 EGEB N#CC1(NC(=O)CSC[C@H](O)c2ccccc2)CCCCCC1 65588624 KPQJTMAQQPDRQQ-INIZCTEOSA-N 332.469 3.186 30 40 EGEB CCOc1ccc(-c2nnc(NC(=O)c3ccc(C#N)cc3)o2)cc1 6507376 LVWZLLXXDNXBLL-UHFFFAOYSA-N 334.335 3.259 30 40 EGEB CC(C)N(/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccc([N+](=O)[O-])cc1 408891675 AYBDZOIUMAJUNR-LICLKQGHSA-N 344.327 3.458 30 40 EGEB CCOc1cc(C#N)ccc1OCC(=O)N1CC[C@H]2CCCC[C@H]2C1 8945026 VEAWBNMLSUWCAM-SJORKVTESA-N 342.439 3.374 30 40 EGEB COc1cccc(S(=O)(=O)/N=C(\O)[C@@H]2C[C@@H]2c2cccc(C)c2)c1 71892430 FNDWWPXNWPZMKC-IAGOWNOFSA-N 345.420 3.453 30 40 EGEB CCN(Cc1ccccc1)S(=O)(=O)Cc1cc(C#N)ccc1F 89969276 VJDPZHMRDBVKIZ-UHFFFAOYSA-N 332.400 3.049 30 40 EGEB CC(C)n1cc(Br)cc1C(=O)N[C@@H](C#N)C(C)(C)C 85431137 FPOVTPSDFFEGKA-LBPRGKRZSA-N 326.238 3.500 30 40 EGEB C=CCN(c1cccc(OC)c1)S(=O)(=O)c1ccc(OC)cc1 224851462 YMAMWPUBZGVVPQ-UHFFFAOYSA-N 333.409 3.085 30 40 EGEB Clc1ccccc1-c1nc(/C=N/N2CCOCC2)c2ccccn12 71942 RWPBFBVLFPWQSO-DEDYPNTBSA-N 340.814 3.321 30 40 EGEB O=S(=O)(OC[C@H]1C[C@@H]2C=C[C@H]1C2)c1ccc(Br)cc1 1664395 NOONLCDBDJYHHW-GRYCIOLGSA-N 343.242 3.367 30 40 EGEB Cc1cc(/C=N/NCc2ccccn2)c(C)n1-c1cccc(C(=O)O)c1 6626376 YZLQJEKKRHJPPH-WSDLNYQXSA-N 348.406 3.311 30 40 EGEB N#Cc1ccc(N2CCC[C@H](NC(=O)Cc3cccs3)C2)c(F)c1 68532487 LVGDOJQHMZFQNO-AWEZNQCLSA-N 343.427 3.087 30 40 EGEB C#CCN1CCC(C(=O)N[C@H](C)c2ccc(-c3cccnc3)cc2)CC1 81000571 NPVCWVCIENSGHL-QGZVFWFLSA-N 347.462 3.271 30 40 EGEB CCc1nnsc1C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1 41553082 SXVAVCKKGSQHGN-MRVPVSSYSA-N 326.303 3.004 30 40 EGEB CCn1c(SCC#N)nnc1-c1cc(Br)cs1 2788887 XBMIKKQZXDVRJF-UHFFFAOYSA-N 329.248 3.405 30 40 EGEB N#Cc1ccc(CNC(=O)c2cccnc2SC(F)F)c(F)c1 105601184 RTAXINLDOZLQJZ-UHFFFAOYSA-N 337.326 3.337 30 40 EGEB C=C(Br)CNC(=O)c1cc(-c2csc(C)n2)c[nH]1 68952205 SJOFEAYJCSETSO-UHFFFAOYSA-N 326.219 3.085 30 40 EGEB CCCSCC(=O)[C@H](C#N)c1nc(O)c2ccc(Cl)cc2n1 58308545 FKMMSPOJYBOPGH-NSHDSACASA-N 335.816 3.308 30 40 EGEB N#C[C@@H](NC(=O)Cc1csc(-c2ccccn2)n1)c1ccsc1 69629050 FAYLQOFFNWTNPN-CQSZACIVSA-N 340.433 3.190 30 40 EGEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccncc1 19314776 RJYBOKZBEUQUPG-QGZVFWFLSA-N 340.423 3.249 30 40 EGEB C#CCOc1cc(F)ccc1NC(=O)N1CCCC[C@@H]1c1ncc[nH]1 83812702 HXAMCMNFIHEZBD-OAHLLOKOSA-N 342.374 3.320 30 40 EGEB COc1ccc([C@@H](C#N)NC(=O)c2ccc3cc[nH]c3c2)c(OC)c1 75583910 FSNOHAPUOAZKOM-QGZVFWFLSA-N 335.363 3.180 30 40 EGEB N=C(N)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 41224007 IMOYBTJTQDXXCM-DNTJNYDQSA-N 337.210 3.389 30 40 EGEB C=CCNC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1C 225567283 VQQZPCGHMFRCSF-VBKFSLOCSA-N 326.421 3.130 30 40 EGEB N#Cc1ccc(Nc2ccc(N3CCC(O)CC3)cc2)c([N+](=O)[O-])c1 57929469 CFSMETJPNAXODG-UHFFFAOYSA-N 338.367 3.171 30 40 EGEB COc1ccccc1CN(C)CC(=O)Nc1ccc(C#N)c(Cl)c1 3437320 UOUCJYNNBMDUKI-UHFFFAOYSA-N 343.814 3.291 30 40 EGEB C/C(=N\NC(=S)NC[C@H]1CCCO1)c1cccc2ccccc12 46192488 VEGQWCAUASDTBT-OOWUWCJESA-N 327.453 3.207 30 40 EGEB CCCCCCCCCNC(=O)c1c(C)oc2ncn(C)c(=O)c12 102935118 CXSINOPICSGOKF-UHFFFAOYSA-N 333.432 3.315 30 40 EGEB COc1ccc(OC)c(C[C@H](C#N)C(=O)Nc2ccccc2OC)c1 57524808 XKHOBXAWZLGADE-CQSZACIVSA-N 340.379 3.033 30 40 EGEB C=CCN(Cc1cccc(C#N)c1)Cc1cc(=O)n2cc(C)ccc2n1 63300871 MMHWBSHXJFOVJM-UHFFFAOYSA-N 344.418 3.063 30 40 EGEB C=CCN1C(=O)[C@](O)(CC(=O)c2ccc(C)o2)c2cc(Cl)ccc21 5324474 JMMWDLXQKDUUFU-SFHVURJKSA-N 345.782 3.235 30 40 EGEB Cc1cc(C)c(C#N)c(S[C@H](C)C(=O)NCc2ccccc2)n1 5642536 QQJSIWOZQCIGLX-CQSZACIVSA-N 325.437 3.367 30 40 EGEB N#Cc1ccc(CNC(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)cc1 78951706 TYMZPVCWAYYHJV-VQTJNVASSA-N 349.434 3.356 30 40 EGEB C=C(C)CN(CC)C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 189885923 GMTOMAPOINOKEV-UHFFFAOYSA-N 330.837 3.173 30 40 EGEB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3cccc(Cl)c3)[C@@H]2C=O)cc1 242543525 KDSOTXVWVURBCP-GVDBMIGSSA-N 334.824 3.403 30 40 EGEB N#CCCSCc1csc(Cn2ncc3ccccc3c2=O)n1 585132897 FECLHMUIGWKWJP-UHFFFAOYSA-N 342.449 3.048 30 40 EGEB Cc1cc(C/N=C(\N)N[C@@H](C)c2ccc(Cl)cc2Cl)no1 252489227 JLNDHZWGPSYUCB-VIFPVBQESA-N 327.215 3.455 30 40 EGEB COCCC(=O)N1CCC(Nc2c(C#N)sc3ccccc23)CC1 1615587409 LCOYRAWWYUJXBI-UHFFFAOYSA-N 343.452 3.212 30 40 EGEB O[C@H]1C2C[C@@H]3C[C@H](C2)CC1(C#CC1(O)C2CC4CC(C2)CC1C4)C3 18086566 TVZBFHNRMALGDJ-DUQLLAKWSA-N 326.480 3.364 30 40 EGEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccn1 100096766 AHCKWRHUVFWRDM-GOSISDBHSA-N 340.423 3.249 30 40 EGEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1cccc3ccccc13)[C@H]1C=C[C@H]2CC1 105651912 BEURJWSVPJQBHB-RWZZKNFCSA-N 330.387 3.371 30 40 EGEB Cc1ccc(CCCNS(=O)(=O)Cc2ccc(C#N)cc2)c(C)c1 12946110 IMHQJAQNIFDLFU-UHFFFAOYSA-N 342.464 3.227 30 40 EGEB CCN(CC)c1ccc([C@H]2C3=C(CCCC3=O)Nc3ncnn32)cc1 6721134 ODOAUDLJIGITJU-SFHVURJKSA-N 337.427 3.146 30 40 EGEB C[C@H](Nc1ccncc1NC(=O)c1cccc(C#N)c1)[C@@H]1CCCO1 72288607 GYJCOVJODHCIOA-UGSOOPFHSA-N 336.395 3.185 30 40 EGEB CC1(C)[C@@H](c2nc(C#N)c(N3CCOCC3)o2)[C@@H]1C=C(Cl)Cl 8915981 LJMPDXBGTWWXJV-JOYOIKCWSA-N 342.226 3.441 30 40 EGEB N#Cc1ccc(CN2CCC(c3nncn3C3CC3)CC2)c(F)c1 95398690 CTOSVPUCFZDZJK-UHFFFAOYSA-N 325.391 3.003 30 40 EGEB N#Cc1ccc(C2(NCc3n[nH]c4ccccc34)CCOCC2)cc1 527813004 VHEMTCHQXPEKAE-UHFFFAOYSA-N 332.407 3.230 30 40 EGEB C[C@@H](CCc1ccccc1F)/C(O)=N/S(=O)(=O)c1cccnc1 76761282 BABAGIJEVMEMPU-LBPRGKRZSA-N 336.388 3.135 30 40 EGEB C=CCN(c1cccc(C(=O)OC)c1C)S(=O)(=O)c1ccccc1 224672567 HXAKQBDMVYNPLH-UHFFFAOYSA-N 345.420 3.163 30 40 EGEB N#Cc1cncc(N2CCC3(CCN(Cc4ccccc4)CC3)CC2)n1 585137561 FRPFZIKYFABXLU-UHFFFAOYSA-N 347.466 3.231 30 40 EGEB CC1(C)CC(=O)C2=C(C1)Nc1nonc1N[C@H]2c1cccc(F)c1 12390990 DMEFGPRJZJXBGQ-AWEZNQCLSA-N 328.347 3.431 30 40 EGEB COc1cc(/C=N/O)ccc1OCC(=O)Nc1ccc(Cl)cc1 8113145 ASQSUYNILKEVHK-GIJQJNRQSA-N 334.759 3.174 30 40 EGEB Cc1nc(C2CC2)nc(N2CCN(Cc3cccc(C#N)c3)CC2)c1C 1888875726 RVVJHTICEVELRP-UHFFFAOYSA-N 347.466 3.165 30 40 EGEB C=CCn1cc(C(=O)c2ccc(OC)cc2)c(=O)c2cc(OC)ccc21 1889255074 WCLMPTUDWHJTIH-UHFFFAOYSA-N 349.386 3.436 30 40 EGEB COc1cc(C)c([C@H](C)Nc2nnc(C)c(C)c2C#N)cc1OC 52159119 LHGFJPAUEPQLNE-ZDUSSCGKSA-N 326.400 3.464 30 40 EGEB CC(C)(C)NC1=C(n2nnc3ccccc32)C(=O)c2ccccc2C1=O 91666 MJZJPQRNRBWJJP-UHFFFAOYSA-N 346.390 3.067 30 40 EGEB C[C@H]1C[C@@H](Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C(=O)O1 95395944 BROHFMBWPDHMGX-YVEFUNNKSA-N 340.354 3.392 30 40 EGEB C[C@@H](OC(=O)c1ccc(C#N)cc1)C(=O)N1CCCc2ccccc21 10807887 ALOQHKDZIZPWAE-CQSZACIVSA-N 334.375 3.083 30 40 EGEB N#CC1(C(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)CCCCC1 95955811 VKFHPWPUUPZTKZ-AWEZNQCLSA-N 347.409 3.381 30 40 EGEB CCn1c(=O)c(/C=N/c2ccc([N+](=O)[O-])cc2)c(O)c2ccccc21 103506725 XNJMRFICMVIRPE-YBFXNURJSA-N 337.335 3.386 30 40 EGEB CCN1C(=O)/C(=N/Nc2ccc(C(F)(F)F)cc2)SC1=S 103469241 BWOJHYATTSDXQE-MFOYZWKCSA-N 333.360 3.311 30 40 EGEB C[C@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1ccc(C#N)cc1 7848574 HSJUPHHJDMZYBT-AWEZNQCLSA-N 348.406 3.124 30 40 EGEB CCc1cnc(CN(C)C(=O)N[C@H](C)c2ccc(C#N)cc2)s1 75092108 WTBVIBHKXXZHKG-GFCCVEGCSA-N 328.441 3.480 30 40 EGEB Cc1c(CNC[C@H]2CCCn3cc(C(C)(C)C)nc32)cc(C#N)n1C 89536575 DWQICIAKUZCMGB-OAHLLOKOSA-N 339.487 3.366 30 40 EGEB C=CCc1cc(/C=C2/SC(=O)N(CC=C)C2=O)cc(OC)c1O 409095455 CPEHQKUXZHHTDB-GXDHUFHOSA-N 331.393 3.352 30 40 EGEB Cc1cc([N+](=O)[O-])ccc1/N=C\c1ccc(N2CCOCC2)cc1 409107620 SOXBITMZURXESV-UYRXBGFRSA-N 325.368 3.490 30 40 EGEB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)Nc1sc2c(c1C#N)CCCCC2 71286908 MBINNKZANNFZCF-CHWSQXEVSA-N 332.425 3.184 30 40 EGEB C=CCNC(=O)COc1ccccc1-c1noc(-c2cccs2)n1 33325175 NEJHFPNPCZKNFP-UHFFFAOYSA-N 341.392 3.146 30 40 EGEB O=C(/C=N/OCc1cccc([N+](=O)[O-])c1)Nc1ccc(F)cc1F 48272493 MKGKQDPKCNLGQX-QGMBQPNBSA-N 335.266 3.014 30 40 EGEB CCCCCCCCCCCNC(=O)[C@@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 225632455 ZTMVRTJMXOQSMD-HZMVEIRTSA-N 337.460 3.288 30 40 EGEB CCCCCCC[C@H](O)/C=C\[C@H](O)CC[C@@H](O)CCCC(=O)O 229769461 FITAKYVPWCVTII-WLVLWMLVSA-N 330.465 3.021 30 40 EGEB biogenic,in-vitro CCC(CC)/C(O)=N/S(=O)(=O)c1cnn(-c2ccccc2F)c1 96442740 IKGMEXKGXHAJTQ-UHFFFAOYSA-N 339.392 3.093 30 40 EGEB Cc1cc(C(=O)N2CCC(Nc3ccccc3C#N)CC2)ns1 585130951 GVYMEGPDXPYRAR-UHFFFAOYSA-N 326.425 3.040 30 40 EGEB Cc1cc(N2CCCC2)ccc1NC(=O)COc1ccccc1C#N 11771688 WLULEWWZBWHGPV-UHFFFAOYSA-N 335.407 3.484 30 40 EGEB N#CC1(C#N)[C@H]2CCCC[C@@]23OC(=N)[C@]1(C#N)[C@@H](c1ccccc1)O3 13766343 YDHPTFXGAJFNQY-VVWQDTPRSA-N 332.363 3.195 30 40 EGEB COc1ccc(/N=C2/NC(=O)/C(=C\c3ccc([N+](=O)[O-])o3)S2)cc1 13914626 KTOCURASCBIPKT-XYOKQWHBSA-N 345.336 3.088 30 40 EGEB C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)N1CCN(c3nccs3)CC1)C2 19460747 VGCUAMZVHIVMOY-KSSFIOAISA-N 331.485 3.174 30 40 EGEB C=CCn1/c(=N/C(=O)c2ccco2)sc2cc(OC)c(OC)cc21 101035630 ZWSXKNBFQSNZKM-ZCXUNETKSA-N 344.392 3.240 30 40 EGEB COc1cc2c(cc1OC)CN(Cc1ccc(C#N)cc1F)CC2 30676273 OGKBICOEAYJWID-UHFFFAOYSA-N 326.371 3.273 30 40 EGEB N#Cc1ccc(OCC(=O)N[C@H]2CCCC[C@@H]2C(F)(F)F)cc1 22498495 NYXBDALPFOZKLO-KBPBESRZSA-N 326.318 3.174 30 40 EGEB CCOC(=O)c1sc(NC(=O)c2cccc(F)c2)c(C#N)c1C 1929771 QJYDBXLAQUJMRI-UHFFFAOYSA-N 332.356 3.496 30 40 EGEB N#Cc1cc2c(nc1N1CCC(c3nncn3C3CC3)CC1)CCCC2 91483625 HGWJQKBSAZFAFG-UHFFFAOYSA-N 348.454 3.142 30 40 EGEB CC(C)c1nc(CN(c2ccc(C#N)cc2)S(C)(=O)=O)cs1 69707320 DAARFYQHXAYOLO-UHFFFAOYSA-N 335.454 3.104 30 40 EGEB C#CCNCc1cn(Cc2ccccc2)nc1-c1ccccc1OC 23819703 JLLTXBSXAVRTES-UHFFFAOYSA-N 331.419 3.330 30 40 EGEB CCN(CC(=O)Nc1ccc(OC)cc1)Cc1ccc(C#N)cc1F 12683012 DILVXQHPZZNLLI-UHFFFAOYSA-N 341.386 3.167 30 40 EGEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccncc1 13615872 IPTHYTCXYCDMOS-GOSISDBHSA-N 346.390 3.449 30 40 EGEB CCC[C@@H]1CC(=O)C2=C(C1)Nc1nnnn1[C@@H]2c1ccc(Cl)cc1 6558860 PEBWERFCBZPHEM-MGPLVRAMSA-N 343.818 3.375 30 40 EGEB N#Cc1cc([N+](=O)[O-])ccc1N1CCN(c2ccccc2Cl)CC1 4905623 PVVQKWXTNOZVGS-UHFFFAOYSA-N 342.786 3.446 30 40 EGEB COc1cccc([C@H]2CCCN2CC(=O)Nc2ccccc2C#N)c1 8727406 ZAKXHDWUHTYDHY-LJQANCHMSA-N 335.407 3.342 30 40 EGEB COc1cc(/C=N\O)ccc1OCC(=O)Nc1cccc(C)c1C 409268129 QDEYYEDEGDIQKZ-GRSHGNNSSA-N 328.368 3.138 30 40 EGEB CN1C(=O)/C(=C/c2ccco2)S/C1=N/c1ccc(C(=O)O)cc1 138304321 HNDSFJNLMLOQFT-WBCCSYDZSA-N 328.349 3.212 30 40 EGEB C=CCN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 224684835 DHWMGDCXIMVEOT-UHFFFAOYSA-N 347.436 3.394 30 40 EGEB C=CCN(C(=O)c1ccccc1Cl)c1ncc(C(=O)OC)s1 96462575 FBDFSMZGKNIRSN-UHFFFAOYSA-N 336.800 3.416 30 40 EGEB Cc1ccc(NC2=C(Cl)C(=O)c3c(O)ccc(O)c3C2=O)cc1 100251654 KOEJEZVJRDBRMI-UHFFFAOYSA-N 329.739 3.348 30 40 EGEB N#Cc1oc2ccccc2c1NC(=O)CSc1nc(C2CC2)n[nH]1 14805356 KKUGDSVTCIUDNI-UHFFFAOYSA-N 339.380 3.031 30 40 EGEB C=CCN(Cc1csc(C)n1)[C@H](C)c1cccc(-n2cnnn2)c1 95399078 QDQYCIAKYZZJIR-CYBMUJFWSA-N 340.456 3.176 30 40 EGEB COc1ccc(NC(=O)CSCc2ccc(C#N)cc2)c(OC)c1 3067256 VQDULKXWDOZYKK-UHFFFAOYSA-N 342.420 3.447 30 40 EGEB N#Cc1ccc(NC(=O)CNc2ccc(Cl)c([N+](=O)[O-])c2)cc1 9459867 KEVBKWOMKKZQRZ-UHFFFAOYSA-N 330.731 3.170 30 40 EGEB CCOC(=O)c1csc([C@H](C#N)C(=O)c2cccc(C)c2C)n1 67898263 JKGDLRVNMNESQN-CYBMUJFWSA-N 328.393 3.427 30 40 EGEB N#Cc1cc(Cl)ccc1N1CCC(C(=O)NCc2ccco2)CC1 69630889 CEDAPPWLRLMZCP-UHFFFAOYSA-N 343.814 3.337 30 40 EGEB COc1c([C@H]2CCCN2Cc2ccc(C#N)cc2F)c(C)nn1C 72253714 PDNUPFJAGLKUOX-MRXNPFEDSA-N 328.391 3.085 30 40 EGEB Cc1nn(C)c(Cl)c1[C@H]1CCCN1C(=O)c1cccc(C#N)c1 75602184 JIGUBGKYZVZFSC-CQSZACIVSA-N 328.803 3.231 30 40 EGEB N#C[C@@H](c1ccccc1)N1CCN(C(=O)/C=C/c2cccc(F)c2)CC1 16149176 MKPAVXRODAPQGF-XTXLJPNXSA-N 349.409 3.248 30 40 EGEB COc1ccc(Nc2c(C#N)c3c(c4nncn24)COC(C)(C)C3)cc1 15106156 SIUPYUICBPZPBF-UHFFFAOYSA-N 349.394 3.204 30 40 EGEB COC(=O)COc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O 5956727 XNVBXOGGXOAATM-WIXUPIFPSA-N 336.343 3.411 30 40 EGEB biogenic CCN([C@@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1cccc(F)c1 32932915 ZLWMWJHUGLNJAV-ZDUSSCGKSA-N 332.400 3.469 30 40 EGEB N#Cc1cccnc1N1CCO[C@@H](c2ccc(Br)cc2)C1 58434598 BWYBRGXFQKUVDF-OAHLLOKOSA-N 344.212 3.294 30 40 EGEB C=C(C)Cn1cnc2c(cnn2-c2cccc(C(F)(F)F)c2)c1=O 32789479 HIZACVTYNYKAKM-UHFFFAOYSA-N 334.301 3.177 30 40 EGEB CCc1c(C)sc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)c1C#N 102345998 MUAPAZVQVRZWTE-AZHAFVHUSA-N 344.436 3.342 30 40 EGEB C#Cc1cccc(N(C)C(=O)c2cccc(Nc3cnn(C)c3)c2)c1 90549585 ITPFJCHLCNCQLF-UHFFFAOYSA-N 330.391 3.422 30 40 EGEB COC(=O)c1ccc(/C=C2\SC(=N)[C@@H](c3nccs3)C2=O)cc1 107888160 COCITTBPDQACOD-GTGIWIMKSA-N 344.417 3.348 30 40 EGEB Cn1cccc1[C@H]1CCCN1CCC(=O)Nc1sccc1C#N 58068042 JNXCDSAUUSBARN-OAHLLOKOSA-N 328.441 3.124 30 40 EGEB C[C@@H](Oc1cc(F)ccc1[N+](=O)[O-])C(=O)Nc1ccccc1C#N 3431647 DBIHMPCSGHWQGP-SNVBAGLBSA-N 329.287 3.012 30 40 EGEB Cc1ccc(S(=O)(=O)/N=C(\O)Cc2cn(C)c3ccccc23)s1 62674590 NNUZTRZIOVXNLW-UHFFFAOYSA-N 348.449 3.436 30 40 EGEB O=C1CCCC2=C1[C@H](c1ccc(Cl)c(Cl)c1)n1nnnc1N2 18196057 FHVBLRRUURICFQ-ZDUSSCGKSA-N 336.182 3.002 30 40 EGEB Cc1c(C(=O)NC2(C#N)CC2)nnn1-c1ccc(-c2ccccc2)cc1 89556320 MHFJYYDDRLSPAN-UHFFFAOYSA-N 343.390 3.029 30 40 EGEB C=C(Br)CN(Cc1nc(C)cs1)C[C@H]1CCCO1 76006676 KTHJTDKRARUFEJ-GFCCVEGCSA-N 331.279 3.341 30 40 EGEB COc1cccc(N2CCN(c3nc4c(cc3C#N)CCCC4)CC2)c1 301099665 QPIJINOIACQWGP-UHFFFAOYSA-N 348.450 3.167 30 40 EGEB CCOC(=O)c1ccccc1N/C=C/C(=O)c1ccc2c(c1)OCO2 44842543 CDQHRLLJQFAXAD-MDZDMXLPSA-N 339.347 3.401 30 40 EGEB N#Cc1ccc2nc(N[C@H]3CCN(C(=O)C4CCCC4)C3)ccc2c1 92922428 CPMAGJXIMPKOBU-KRWDZBQOSA-N 334.423 3.309 30 40 EGEB Cc1ccc(CC(=O)Nc2cccc(C#Cc3ccccn3)c2)cn1 47624231 KLEYSYODTWBZNH-UHFFFAOYSA-N 327.387 3.366 30 40 EGEB COc1ccccc1/C=C/C(=O)c1ccc(S(C)(=O)=O)c(OC)c1 57809962 RTVMIHNDTLTRQA-CSKARUKUSA-N 346.404 3.003 30 40 EGEB COc1cccc(SCC(=O)N[C@@H](C#N)c2ccccc2F)c1 79046808 NKFOBSZQHXLPNT-INIZCTEOSA-N 330.384 3.307 30 40 EGEB C[C@@](O)(C#C[C@](O)(c1ccccc1)C(F)(F)F)c1ccc(F)cc1 2379405 DZVAPKOQXBBGKD-SJORKVTESA-N 338.300 3.487 30 40 EGEB CN1CC[C@@H](Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1=O 96437318 JVGSXCVBPYRHBV-OAHLLOKOSA-N 325.343 3.132 30 40 EGEB C[n+]1ccc(/C=N/Nc2nc(Cl)c(C#N)c(Cl)c2Cl)cc1 4719131 MSZFJVDESGWALH-UHFFFAOYSA-O 341.609 3.184 30 40 EGEB C=CCn1c(SCc2nnc(C3CC3)o2)nc2ccsc2c1=O 58159110 CZIOZMKQNSUKTO-UHFFFAOYSA-N 346.437 3.197 30 40 EGEB C=CCN(Cc1cccs1)C(=O)N[C@H]1CCCc2c1cnn2C 47003617 YCAIPKISCSXDBF-HNNXBMFYSA-N 330.457 3.257 30 40 EGEB Cc1cc([C@H](C#N)C(=O)[C@@H](C)Oc2ccc(F)c(F)c2)nc(C)n1 62675785 JDGMCNZPNMMMIR-MFKMUULPSA-N 331.322 3.015 30 40 EGEB C[C@@H]1CCCN(C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@@H]4C[C@H]23)C1 4028568 HCQODXJXLKLAFK-UJXCDSABSA-N 347.499 3.245 30 40 EGEB biogenic Cc1cc(SCC(=O)N[C@@](C)(C#N)C2CC2)nc2ccccc12 5934795 FSOKNERZRRBBHH-SFHVURJKSA-N 325.437 3.444 30 40 EGEB N#Cc1ccc(CN2CC[C@H]3OCCC[C@@H]3C2)c(Br)c1 97047160 DVZPGBHYTSMKJR-GDBMZVCRSA-N 335.245 3.322 30 40 EGEB C#CCn1cc(CN(C)C(=O)c2ccnc(SC(C)(C)C)c2)cn1 97048423 SKEGYGBLPYRDPB-UHFFFAOYSA-N 342.468 3.074 30 40 EGEB Cc1ccc(CN(C(=O)OC(C)(C)C)[C@H](CS)C(=O)O)cc1 64219691 HEUDASHHRIUXAH-CYBMUJFWSA-N 325.430 3.115 30 40 EGEB C[C@H]1CCCN(C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@@]45O[C@H]5[C@@H]32)C1 38550532 CSUXALKSMYDBAB-KXCZEBDGSA-N 347.499 3.244 30 40 EGEB biogenic Cc1n[nH]c(-c2ccc(C(=O)OC[C@H](C#N)Cc3ccccc3)cc2)n1 96470550 DKGKQEYBBRXAOK-INIZCTEOSA-N 346.390 3.319 30 40 EGEB CC(C)c1csc([C@H](C#N)C(=O)c2ccc3c(c2)OCC(=O)N3)n1 80456449 HNDMFAMXVYFSSM-LLVKDONJSA-N 341.392 3.087 30 40 EGEB CCCC[C@@H](CC)CN[C@@H](CC(=O)Nc1ccccc1C#N)C(=O)O 5258644 RSEBVPJDKDUCLR-PBHICJAKSA-N 345.443 3.146 30 40 EGEB COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(Cl)cn1 40130892 SYAJKJFCFYOPGW-UHFFFAOYSA-N 345.786 3.413 30 40 EGEB C#CCOc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2cccnc2)cc1 40287941 KLXUVTDPIUKRQH-QGZVFWFLSA-N 344.374 3.403 30 40 EGEB CC(C)[C@H](CNc1ncc([N+](=O)[O-])cc1C#N)N1CCCCCC1 32829328 YXBAZGQWNZJERB-INIZCTEOSA-N 331.420 3.174 30 40 EGEB CC(=O)N(CCC(=O)[C@H](C#N)C(=O)c1ccccc1)Cc1ccccc1 100684117 MEQLIODZFTVTDQ-IBGZPJMESA-N 348.402 3.017 30 40 EGEB N#Cc1ccc(N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)nc1 28743240 AOOWFRXYIGEVBQ-UHFFFAOYSA-N 346.356 3.294 30 40 EGEB Cc1noc2nc(-c3ccccc3)cc(C(=O)N[C@@H](C#N)C3CC3)c12 69896507 WLVCQGPWLSCSJK-INIZCTEOSA-N 332.363 3.230 30 40 EGEB CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(OC)cc1 103504671 JVDYSTAZGCMTOT-OAHLLOKOSA-N 338.363 3.055 30 40 EGEB CCOC(=O)Nc1cccc(C(=O)N(C)Cc2cccc(C#N)c2)c1 25102881 UHRGWBFVPRFARG-UHFFFAOYSA-N 337.379 3.399 30 40 EGEB N#Cc1ccc(CSc2nnnn2-c2ccc(Cl)cc2)cc1 3493182 YDQRHWPOSAKFQV-UHFFFAOYSA-N 327.800 3.480 30 40 EGEB C[C@H](Oc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1)C(=O)O 13361725 FSLXJRQCTBHXED-QNCMIEPLSA-N 341.319 3.343 30 40 EGEB CSc1nc(C)c(CCC(=O)Nc2cccc(C#N)c2)c(C)n1 8061198 OLRMRRUNMBWZKG-UHFFFAOYSA-N 326.425 3.258 30 40 EGEB CSc1nc2n(n1)[C@H](c1ccccc1F)C1=C(CCCC1=O)N2 6677823 KNBHCVQUCDMXNW-CQSZACIVSA-N 330.388 3.161 30 40 EGEB COc1csc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c1 96446292 YQESEENXKPWLQK-UHFFFAOYSA-N 342.420 3.312 30 40 EGEB C=CCN(Cc1ccccn1)C1CCN(C(=O)OC(C)(C)C)CC1 585089986 URAVPDYUNSCTRK-UHFFFAOYSA-N 331.460 3.469 30 40 EGEB O=[N+]([O-])c1ccccc1S(=O)(=O)/N=C(\O)CCCc1ccccc1 48423383 OLSXFCZWZPTBIT-UHFFFAOYSA-N 348.380 3.263 30 40 EGEB CSc1ccc(/C=[N+](\[O-])[C@H]2N(C)C(=S)SC2(C)C)cc1 13756117 JIQZZEFQTIJNID-DZZSIBQASA-N 326.512 3.406 30 40 EGEB CC/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1cccc(OC)c1 17109879 ZHBKXEXNMGPFRV-ISLYRVAYSA-N 332.425 3.096 30 40 EGEB C[C@@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccc(CC#N)cc2)CC1=O 72729527 WYSHCCLDNGAWMF-MAUKXSAKSA-N 347.418 3.301 30 40 EGEB Cc1ccc(S(=O)(=O)N/N=C2\[C@@H]3C=C/C=C/[C@H](C=C3)[C@H]2C)cc1 104280940 NJKAGWLHGKJNOV-BPSPIWJUSA-N 328.437 3.194 30 40 EGEB Cn1cccc1[C@H]1CCCN1CC(=O)Nc1ccc(C#N)c(Cl)c1 6543760 PHSDOAAWEVVCBG-QGZVFWFLSA-N 342.830 3.326 30 40 EGEB N/C(=N\OC(=O)/C=C/c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 6889370 UJMAGJMWYZSTTF-CMDGGOBGSA-N 345.742 3.125 30 40 EGEB N#Cc1ccc(S(=O)(=O)N[C@@H]2CCSc3ccccc32)cc1 15584287 WPBGJZYWVHNKNZ-OAHLLOKOSA-N 330.434 3.074 30 40 EGEB C[C@@H](CC(=O)NC1(C#N)CCOCC1)c1ccccc1C(F)(F)F 96423747 GXJHKDOUXOEIKS-LBPRGKRZSA-N 340.345 3.388 30 40 EGEB Cc1ccc(C#N)c(SCC(=O)N[C@@H](C)CCc2ccccc2)n1 72265544 YLTLLZDNPGIHFJ-AWEZNQCLSA-N 339.464 3.491 30 40 EGEB C#CCOc1ccc(N(C)C(=O)c2c(C)nn(CCC)c2C)cc1 95414095 XURXXPCAXFUGSX-UHFFFAOYSA-N 325.412 3.199 30 40 EGEB O=[N+]([O-])c1cc(Cl)cc(/C=N/C[C@@H]2COc3ccccc3O2)c1O 97931233 SWDVQFXOZBEUQK-CIPPFVMLSA-N 348.742 3.213 30 40 EGEB COC1=CC=C/C(=C/C=C2\N(CCO)c3ccccc3C2(C)C)C1=O 33567497 SQLVYYUCCFIXPO-HZCNULMQSA-N 337.419 3.256 30 40 EGEB N#Cc1cccnc1N1CCCN(c2ccnc3cc(F)ccc23)CC1 79096590 DWWRGWSIINGALO-UHFFFAOYSA-N 347.397 3.357 30 40 EGEB C=CCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)NC(C)C 44085707 LEVTZYZQASPJEA-UHFFFAOYSA-N 345.468 3.361 30 40 EGEB C=CCNC(=O)C1(Cc2cccc(-c3ccncc3)c2)CCOCC1 257257079 KOAPHOTZNHXGJI-UHFFFAOYSA-N 336.435 3.390 30 40 EGEB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC/C2=N\OCC(N)=O 1772768789 BRIUPFOIZXODON-OHXOXDMJSA-N 342.439 3.106 30 40 EGEB Cc1cccc(N2C[C@H](C(=O)Nc3ccc(C#N)cc3)CC2=O)c1C 12831836 XIOBTQAXXXBFJH-MRXNPFEDSA-N 333.391 3.167 30 40 EGEB C=CCNC(=S)N/N=C/c1cc(C)n(-c2ccc(C)cc2)c1C 6276053 UQLQUULYTPUZSO-UDWIEESQSA-N 326.469 3.387 30 40 EGEB O=C1CCCC(=O)C1=CNc1ccc(C(=O)NC2CCCCC2)cc1 90215 NXUNWYOBABAJSG-UHFFFAOYSA-N 340.423 3.367 30 40 EGEB N#Cc1cccc(NC(=O)CCSc2nc(C3CCCC3)n[nH]2)c1 32903477 MDUYWWPGCTYETI-UHFFFAOYSA-N 341.440 3.455 30 40 EGEB N#CCc1ccc(OC[C@@H](O)CN2CCC[C@H]2c2cccs2)cc1 40475832 HCZQTRLDYKKAFJ-WMZOPIPTSA-N 342.464 3.391 30 40 EGEB C#CCNC(=O)c1cc2ccccc2cc1OCc1c(C)noc1C 32678950 BXGBVZTZZISBMH-UHFFFAOYSA-N 334.375 3.387 30 40 EGEB C=CCN(C(=O)Cc1csc(NC(=O)C(C)C)n1)c1ccccc1 58173440 KQZATTFYKDBQQZ-UHFFFAOYSA-N 343.452 3.499 30 40 EGEB Cc1cc(C)cc(N(C)C(=O)C2CCN(c3ccc(C#N)cn3)CC2)c1 48366634 WDKPTLYSPMWBGA-UHFFFAOYSA-N 348.450 3.450 30 40 EGEB C[C@@H]1Sc2ccc(C(=O)NC3(C#N)CCCCC3)cc2NC1=O 71815525 BTMZGTQNTZKVQS-NSHDSACASA-N 329.425 3.076 30 40 EGEB N#Cc1cccnc1N1CCCN(Cc2ccc(Cl)cc2)CC1 72305682 APLAUBMAXVXVEN-UHFFFAOYSA-N 326.831 3.319 30 40 EGEB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N/c1cc([N+](=O)[O-])ccc1O 408741931 STLNRBDKWBWHQG-YFEUJDIGSA-N 338.323 3.042 30 40 EGEB C=CCOC[C@@]12CCCO[C@H]1CCN(C(=O)c1cc(C)oc1C)C2 96039661 PWQRROZWVPLXBA-HKUYNNGSSA-N 333.428 3.110 30 40 EGEB N#CCc1ccc(I)c(F)c1Br 98210860 IAMHVRJYQYLEJA-UHFFFAOYSA-N 339.933 3.259 30 40 EGEB CCCCCCOc1ccc(/C=N/Nc2nc(C)cc(=O)[nH]2)cc1 12562140 UZSXBMKRWUUXRU-CPNJWEJPSA-N 328.416 3.483 30 40 EGEB C=CCNC(=O)c1ccccc1NC(=O)CCc1ccc(OC)cc1 15373252 VAIZODFQDNYDMW-UHFFFAOYSA-N 338.407 3.182 30 40 EGEB N#Cc1ccccc1NC(=O)CSc1nc2c(cc1C#N)CCCC2 104893 GATJJHIKMOKSNO-UHFFFAOYSA-N 348.431 3.435 30 40 EGEB N#Cc1ccc(C(=O)Nc2cccc(C(=O)NCC(F)(F)F)c2)cc1 11447523 UCFAREFRQUHDKZ-UHFFFAOYSA-N 347.296 3.103 30 40 EGEB N#Cc1ccc(C(=O)NCCOc2cccc(C(F)(F)F)c2)cc1 46470221 ASUKPHDJXFJVOK-UHFFFAOYSA-N 334.297 3.386 30 40 EGEB CO/N=C/c1ccc(Oc2ccc(NC(C)=O)cc2)c([N+](=O)[O-])c1 4088050 WTVHIFHGSMIRTR-LICLKQGHSA-N 329.312 3.326 30 40 EGEB C=CCNC(=S)N1CCN(Cc2c(Cl)cccc2Cl)CC1 13768387 BDMROZNRXKXMFD-UHFFFAOYSA-N 344.311 3.172 30 40 EGEB Cc1ccc2nc(C3=C(N)N([C@H](C)c4ccccc4)CC3=O)[nH]c2c1 5182874 UJMANQWFJVPDLK-CYBMUJFWSA-N 332.407 3.145 30 40 EGEB C[C@H](OC(=O)Cc1ccccc1Cl)C(=O)Nc1ccc(C#N)cc1 7535270 PKFUCIXQITXXBG-LBPRGKRZSA-N 342.782 3.325 30 40 EGEB CC[C@H](OC1CCCC1)/C(O)=N/S(=O)(=O)c1sc(C)nc1C 83150732 KZMKQNTZHWVYNB-LBPRGKRZSA-N 346.474 3.143 30 40 EGEB CN1CCc2nc(SCC#N)c(C#N)c(-c3cccs3)c2C1 19889406 IWAXEOWTGUUAQT-UHFFFAOYSA-N 326.450 3.285 30 40 EGEB CC(=O)Nc1cccc(CN2CCN([C@H](C#N)c3ccccc3)CC2)c1 88524687 ROLNTUUOYHCPKD-OAQYLSRUSA-N 348.450 3.027 30 40 EGEB C=CCN1C(=O)N/C(=C/c2ccc(N3CCCCC3)cc2C)C1=O 409148015 OEIQPRDNWZMWKV-GHRIWEEISA-N 325.412 3.064 30 40 EGEB CC(=O)Nc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1 409035740 UAFPXQXJJXOORD-IOXNKQMXSA-N 345.218 3.359 30 40 EGEB N#Cc1ccc(C(=O)NCc2ccc(N3CCCCCC3)nc2)cc1 48324507 MDZSPJYVTOPZLH-UHFFFAOYSA-N 334.423 3.264 30 40 EGEB Cn1cc(C(=O)CSc2ccc(C#N)c(C(F)(F)F)c2)cn1 96501002 SYSYUFNGYSYDGN-UHFFFAOYSA-N 325.315 3.286 30 40 EGEB C[C@@H](C#N)CNC(=O)Nc1ccc(F)c(NC(=O)c2ccsc2)c1 95410846 ZSVQNEHHBVUAKQ-JTQLQIEISA-N 346.387 3.421 30 40 EGEB C=CCc1cc(CN2CCC(c3cc[nH]n3)CC2)cc(OC)c1O 92810782 IMQBDKPNOBCNCA-UHFFFAOYSA-N 327.428 3.232 30 40 EGEB CC(C)n1cnc(S(=O)(=O)N(c2ccccc2C#N)C2CCC2)c1 585129463 KLNPUTRMWSVTCQ-UHFFFAOYSA-N 344.440 3.083 30 40 EGEB Cc1cc(C)n2nc(SCc3cn4ccccc4c3C#N)nc2n1 14164046 PMNTXJITNMJZTO-UHFFFAOYSA-N 334.408 3.158 30 40 EGEB COc1cc(/C=C\C(=O)CC(=O)/C=C\c2ccc(O)cc2)ccc1O 31430198 HJTVQHVGMGKONQ-AVWDGMTFSA-N 338.359 3.361 30 40 EGEB CCCOC(=O)C[N+](C)(C)CCO[C@H]1C[C@H]2CC[C@]1(C)C2(C)C 2290245 YPXYMOSBZGQIMQ-GJYPPUQNSA-N 326.501 3.247 30 40 EGEB O=C(C[n+]1ccccc1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 4893567 TZZXJRNSAWTYDV-UHFFFAOYSA-N 333.367 3.356 30 40 EGEB CCc1noc(C)c1/C(O)=N/S(=O)(=O)c1ccc(Cl)cc1F 58379567 KURWSGXFWWVHJK-UHFFFAOYSA-N 346.767 3.031 30 40 EGEB O=C(O)c1ccc(/C=C/C(=O)c2cccc(N3CCOCC3)c2)cc1 11334586 JXSDKKRQWMXCOE-RMKNXTFCSA-N 337.375 3.118 30 40 EGEB N#Cc1cc([N+](=O)[O-])ccc1N1CCN(C/C=C/c2ccccc2)CC1 6250558 CPAWKMKDIIQLOB-QPJJXVBHSA-N 348.406 3.302 30 40 EGEB N#CC1(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)CCCC1 71910104 OCUFVDFELJPHRB-UHFFFAOYSA-N 328.256 3.414 30 40 EGEB C[C@H](SC[C@H](O)c1ccccc1)C(=O)NC1(C#N)CCCCC1 83966394 LBRZQGSKIHFCNA-HOCLYGCPSA-N 332.469 3.184 30 40 EGEB C=CCNC(=O)[C@@H](C)OC(=O)c1nc(-c2ccc(Cl)cc2)oc1C 25862677 PYQOGOAOCIKSJQ-LLVKDONJSA-N 348.786 3.151 30 40 EGEB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N/c1ccc([N+](=O)[O-])cc1O 408742676 XRMFDULNNWIEKX-YFEUJDIGSA-N 338.323 3.042 30 40 EGEB C[C@]1(N/C(O)=N/C2[C@H]3CC[C@H]2Cc2ccccc2C3)CCCOC1 329698083 FKWWAPGPUASPOI-ZWOKBUDYSA-N 328.456 3.253 30 40 EGEB N#Cc1ccccc1OCc1nnnn1-c1ccc(C(F)(F)F)cc1 48343169 QVMRLSWWMYECJR-UHFFFAOYSA-N 345.284 3.132 30 40 EGEB CC1(C)CC(=O)C2=C(C1)Nc1c(C#N)cnn1[C@@H]2c1ccc(O)cc1 40284446 WOZOWKOMNZFWMU-QGZVFWFLSA-N 334.379 3.118 30 40 EGEB Cc1ccc(/N=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 98086978 KCONNKQDXBXPKC-CPNJWEJPSA-N 325.368 3.490 30 40 EGEB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc(Cl)cc3)[C@@H]2C=O)cc1 242538756 JEMOGBHFOPSGNU-GVDBMIGSSA-N 334.824 3.403 30 40 EGEB C[S@@](=O)Cc1cc(NC(=O)C#Cc2ccccc2)ccc1Cl 81753460 XVGCAMLJHVEINK-QFIPXVFZSA-N 331.824 3.209 30 40 EGEB CC(C)(C)OC(=O)NC1CCN(c2c(F)cc(C#N)cc2F)CC1 77192183 XJBGFSGODYZDCF-UHFFFAOYSA-N 337.370 3.330 30 40 EGEB O=C1c2ccccc2C(=O)N1/N=C/c1ccc(N2CCCCC2)cc1 559010 SZPPUMSYBKHTAM-KGENOOAVSA-N 333.391 3.307 30 40 EGEB CC(C)(C)c1nnc(N/N=C/c2c(Cl)cccc2Cl)[nH]c1=O 16776929 MVSLTZMCQNYLBP-REZTVBANSA-N 340.214 3.215 30 40 EGEB Oc1ccccc1/C=N\NC(=S)NC12CC3CC(CC(C3)C1)C2 5030411 DPPAMQMIUHIPLO-ODLFYWEKSA-N 329.469 3.159 30 40 EGEB COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cn(C)c2ccccc12 102389306 WEYYIBQSVKOOTI-CQSZACIVSA-N 347.374 3.148 30 40 EGEB COc1ccc([C@H]2C3=C(CCCC3=O)Nc3onc(C)c32)cc1O 21660290 JRBFYGLYLRBYDF-MRXNPFEDSA-N 326.352 3.262 30 40 EGEB CC(C)(C)[C@@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(F)cc1 53644249 XKJTVDUDSUGVND-HKUYNNGSSA-N 331.435 3.311 30 40 EGEB COc1ccc(C2(Cc3ccccc3C#N)OCCO2)cc1OC 1578102 UFLDAQGAYLYHPO-UHFFFAOYSA-N 325.364 3.018 30 40 EGEB COC(=O)c1ccc(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)cc1 3084546 UIBUGZKLBZLRMT-CAOOACKPSA-N 334.715 3.491 30 40 EGEB CCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCCCCC1 3114386 FKSYERDFLNEXFX-CQSZACIVSA-N 338.411 3.180 30 40 EGEB N#CCN(C(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1)C1CC1 65894792 QZKQCVRVIKGWID-ZDUSSCGKSA-N 340.452 3.027 30 40 EGEB COc1ccccc1OCc1nc(SCC(C)C)nc(N)c1C#N 223690666 VMQYPNALFVVPNM-UHFFFAOYSA-N 344.440 3.266 30 40 EGEB CCOc1cccc(/C=N/c2ccc(N3CCOCC3)cc2)c1O 3136542 YEJDHTMMRRAJLM-XSFVSMFZSA-N 326.396 3.378 30 40 EGEB C#CCOC[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2Cl)C1 49031648 NQNKITFPHRMRPL-GFCCVEGCSA-N 326.223 3.495 30 40 EGEB C[C@](C#N)(NC(=O)CN(Cc1ccccc1)Cc1ccco1)C1CC1 42979150 GMQHZTCWDUWQJL-HXUWFJFHSA-N 337.423 3.090 30 40 EGEB C[C@H]1C[C@H](C(N)=O)c2ccccc2N1Cc1cn2ccccc2c1C#N 58432974 STAANLJKROINLA-YOEHRIQHSA-N 344.418 3.179 30 40 EGEB Cc1ccc2nc(C3=C(N)N([C@@H](C)c4ccccc4)CC3=O)[nH]c2c1 5182871 UJMANQWFJVPDLK-ZDUSSCGKSA-N 332.407 3.145 30 40 EGEB CC(C)[C@](C)(C#N)NC(=O)CN[C@H](c1cccnc1)C1CCCCC1 65591324 WTXRUXABQCYIFQ-PMACEKPBSA-N 342.487 3.347 30 40 EGEB Cc1nn(Cc2nc3ccccc3c3ccccc23)c(=O)c(C#N)c1C 69351971 AZYPSCOEUSCHAY-UHFFFAOYSA-N 340.386 3.482 30 40 EGEB CC(C)N(C(=O)CCS(=O)(=O)C1CCCC1)c1cccc(C#N)c1 69702644 GYPJFJGYAMUELR-UHFFFAOYSA-N 348.468 3.047 30 40 EGEB COc1ccc(C(=O)O[C@@H](C#N)Cc2ccc(F)cc2F)cc1OC 96013315 OFXGBAKYFOTORX-CQSZACIVSA-N 347.317 3.274 30 40 EGEB C#CCN(Cc1ccco1)C(=O)N[C@@H]1CCC[C@@H]1Oc1ccccc1 72281537 PLMJEBCNSFOWDC-MOPGFXCFSA-N 338.407 3.425 30 40 EGEB CS(=O)(=O)Cc1cc(NCc2cccc(C#N)c2)ccc1Cl 96453607 ABYFCXLXJDYLNG-UHFFFAOYSA-N 334.828 3.368 30 40 EGEB C[C@](C#N)(NC(=O)CSc1ncc(-c2ccc(F)cc2)[nH]1)C1CC1 39517325 TVSHZDPVKPZLMN-QGZVFWFLSA-N 344.415 3.116 30 40 EGEB CCOC(=O)/C(=N/Nc1ccc(Oc2ccccc2)cc1)C(C)=O 68771 HICINQYTJXGMQT-LVZFUZTISA-N 326.352 3.399 30 40 EGEB COc1ccccc1[C@@H]1CC(=O)OC2=C1C(=O)c1ccccc1C2=O 100790675 RCFWLGVUHKTXJB-AWEZNQCLSA-N 334.327 3.059 30 40 EGEB biogenic COc1cccc(SCc2nc3ccccc3c(=O)n2CC#N)c1 31817424 UKWBYKFGVGFSKU-UHFFFAOYSA-N 337.404 3.221 30 40 EGEB C=CCn1c(SCC(=O)OC(C)C)nnc1-c1ccc(F)cc1 2439266 XYRDIOBETBYBBG-UHFFFAOYSA-N 335.404 3.314 30 40 EGEB C=CCOc1ccccc1[C@@H]1S[C@@H](C)C(=O)Nc2[nH]nc(C)c21 6678649 GTSSDCFGWYKVNQ-NHYWBVRUSA-N 329.425 3.446 30 40 EGEB C[C@@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)NC(=O)[C@@H](C#N)C[C@H]12 104229114 PXJJMZRPGBMTIG-JZXMJLAOSA-N 326.440 3.137 30 40 EGEB CCCCCCCCCCCCN1C(=O)N[C@H]2CS(=O)(=O)C[C@H]21 59568668 UWYUNUUSSXMTPS-JKSUJKDBSA-N 344.521 3.098 30 40 EGEB CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1nnc(C2CC2)n1C1CC1 12931083 CVWUXSCFEZPZMG-GTNSWQLSSA-N 347.488 3.025 30 40 EGEB COc1cc(C#N)ccc1O[C@H](C)C(=O)Nc1ccc(F)c(F)c1 13004154 ISCVKUPTICDPMP-SNVBAGLBSA-N 332.306 3.251 30 40 EGEB CO/N=C1/C[C@H](C)Cc2c1c(-c1cccc(OC)c1OC)nn2C 5211522 TZLYNSLRPHUOOK-PYXNCVKXSA-N 329.400 3.037 30 40 EGEB C#CCn1c([C@@H]2CC(=O)N(c3cccc(C)c3)C2)nc2ccccc21 14095088 OAJJILXWGGLLHB-MRXNPFEDSA-N 329.403 3.498 30 40 EGEB C#Cc1cccc(NC(=O)N2CCC(CO)(Nc3ccccc3)CC2)c1 70040614 GCGPQNNRERKPMW-UHFFFAOYSA-N 349.434 3.139 30 40 EGEB C=CCn1c(=S)sc2c(=O)n(Cc3ccc(C#N)cc3)cnc21 6590115 SRZBLPHHUHNXSB-UHFFFAOYSA-N 340.433 3.095 30 40 EGEB COc1ccc(-c2noc(COc3ccc(C#N)cc3)n2)c(OC)c1 8536665 ZFCYJFQJUFMCEJ-UHFFFAOYSA-N 337.335 3.204 30 40 EGEB C=CC[C@@H](NC(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1)c1ccncc1 72285363 PIHDGFGZNRFZFP-DLBZAZTESA-N 343.471 3.100 30 40 EGEB CC[C@H]1CCCN(C(C)(C)CNC(=O)c2c(F)cc(C#N)cc2F)C1 95410145 XRXYSQQXQXWWRH-ZDUSSCGKSA-N 349.425 3.467 30 40 EGEB O=C1/C(=N\O)c2ccc(Cl)cc2N1CCCOc1ccccc1 46084721 INTKTTWNUGDDQM-MNDPQUGUSA-N 330.771 3.334 30 40 EGEB COCCN(Cc1ccco1)c1nc(C(F)(F)F)ccc1C#N 96469357 SDNWQSOBLKTTTJ-UHFFFAOYSA-N 325.290 3.218 30 40 EGEB O=C(NCC#Cc1ccccc1)N1CC=C(c2ccc(O)cc2)CC1 45611084 OSVCSMOLASMITA-UHFFFAOYSA-N 332.403 3.243 30 40 EGEB C=CCSc1nnc(NC(=O)COc2ccc(Cl)cc2)s1 2639531 WGYBVKHKDXNTTL-UHFFFAOYSA-N 341.845 3.487 30 40 EGEB N#Cc1ccc(N2CCCN(C(=O)CCc3ccccc3)CC2)cc1 46846740 IIWMWLYEORAXKZ-UHFFFAOYSA-N 333.435 3.230 30 40 EGEB CC(=O)N[C@@H](CC(=O)[C@@H](C#N)c1ccccn1)c1ccc(Cl)cc1 49457171 DUJFPXGHSQIBCV-RDJZCZTQSA-N 341.798 3.179 30 40 EGEB N#C[C@H](NC(=O)c1cccc(C(N)=O)c1)c1ccc(Cl)c(Cl)c1 68457615 NIPFNMOECIUQDG-AWEZNQCLSA-N 348.189 3.087 30 40 EGEB Cc1cccc2c(NCCc3nnc4ccccn34)c(C#N)cnc12 72297721 CFBMJKSXJIDMQC-UHFFFAOYSA-N 328.379 3.112 30 40 EGEB N#Cc1cccc(CS(=O)(=O)N(Cc2ccsc2)C2CC2)c1 69631987 QEPJMJRJZFYVIZ-UHFFFAOYSA-N 332.450 3.114 30 40 EGEB C#CCN1CCC(C(=O)N2CCCC[C@@H]2Cc2ccc(F)cc2)CC1 69923818 QHAMOTPMIILNDS-HXUWFJFHSA-N 342.458 3.095 30 40 EGEB CCOc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cn2)c(OCC)c1 408750663 QBCITZSETWEWEO-ZDLGFXPLSA-N 330.344 3.233 30 40 EGEB CC1=NN(c2ccc(C(=O)[C@H](C#N)c3cc(C)nc(C)n3)cc2)CC1 49407646 YJRPJONOXGMLOD-QGZVFWFLSA-N 333.395 3.170 30 40 EGEB CN(C)/C=N/c1scc[n+]1CC(=O)c1ccc(Cl)c(Cl)c1 4276872 CSQHWGHXEYVUAB-UHFFFAOYSA-N 343.259 3.447 30 40 EGEB Cc1ccc(-c2nn(CN(CCC#N)CCC#N)c(=S)[nH]2)cc1 14092753 YVNGMOOUMBOWTK-UHFFFAOYSA-N 326.429 3.003 30 40 EGEB CC(C)[C@](C)(C#N)NC(=O)CNc1ccccc1OC(F)(F)F 22811936 XJNDAQBTKGWOMW-AWEZNQCLSA-N 329.322 3.052 30 40 EGEB N#Cc1ccc(N2CCC[C@H](COc3ncccc3Cl)C2)nc1 2298187888 BAVGGMWSPFRHHB-AWEZNQCLSA-N 328.803 3.297 30 40 EGEB Cc1ccccc1OCc1nc(C#N)c(N2C[C@@H](C)O[C@H](C)C2)o1 108619 QXUHKKVFLBLWAA-ZIAGYGMSSA-N 327.384 3.047 30 40 EGEB C/C(=N/NS(=O)(=O)c1ccc(C)c(C)c1)c1c[nH]c2ccccc12 32578364 FDLLLIQNTOOYEU-ZHZULCJRSA-N 341.436 3.487 30 40 EGEB C=CCSc1nc(O)c2c(n1)NC(=O)C[C@@H]2c1cc(F)cc(F)c1 21784811 IQUCXWFRGXACDU-LLVKDONJSA-N 349.362 3.213 30 40 EGEB C#CCOc1ccc(C[C@H]2SC(=O)N(CCC)C2=O)cc1OCC 6879262 JYNJDRPNPRSYAK-MRXNPFEDSA-N 347.436 3.114 30 40 EGEB N#Cc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 7053718 YNWBTLPCUJWQIQ-UHFFFAOYSA-N 326.299 3.378 30 40 EGEB C=CCN1c2ccccc2NC(=O)[C@H]1CC(=O)Nc1ccccc1C 12608967 WKNUJMFTMRHQIR-GOSISDBHSA-N 335.407 3.337 30 40 EGEB Cc1cc(C(=O)O)ccc1/N=C/c1ccc(O[C@H](C)C(=O)O)cc1 59249471 FXMVXGYYEDERMN-AINDZBIGSA-N 327.336 3.296 30 40 EGEB CCCCCCCCCCCCNC(=O)C[n+]1cccc(C(N)=O)c1 104131204 JXNGAJPUQXXXOX-UHFFFAOYSA-O 348.511 3.110 30 40 EGEB Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N[C@@H](C#N)c1ccccc1Cl 95401898 VBWHWLXQXRVZEF-DIFFPNOSSA-N 344.846 3.250 30 40 EGEB N#Cc1ccc(Cl)cc1N1CCC(C(=O)Nc2ccccn2)CC1 71914500 CVXPLGYHVRVQKS-UHFFFAOYSA-N 340.814 3.462 30 40 EGEB N#Cc1ccccc1CN1CCC(OC(=O)CCc2ccco2)CC1 69633162 OVYBMPYFYUQYDE-UHFFFAOYSA-N 338.407 3.292 30 40 EGEB CC(C)n1ncc2c(C(=O)N[C@@H](C)C#N)cc(-c3cccs3)nc21 89894008 SWNVBKKYFMAOQP-NSHDSACASA-N 339.424 3.383 30 40 EGEB C[C@H]1CN([C@@H](CNCc2cccc(C#N)c2)c2cccs2)CCO1 75603939 OQMCZLKPTLMEML-YJBOKZPZSA-N 341.480 3.171 30 40 EGEB CC/N=C1/S/C(=C/c2cn(CC#N)c3ccccc23)C(=O)N1CC 408930423 WWPCXIPPWBVBKB-YYUDZJCFSA-N 338.436 3.477 30 40 EGEB COCCOc1c(N)cc(C#N)n1Cc1ccc(Cl)cc1Cl 225876109 JMTKMUNHCFYHDD-UHFFFAOYSA-N 340.210 3.322 30 40 EGEB C=CCn1c(C)cc(C(=O)COC(=O)c2c(F)ccc(C)c2N)c1C 64185082 DCDVAOTVKZDNCF-UHFFFAOYSA-N 344.386 3.360 30 40 EGEB N#CC1(C(=O)NCCC2CCN(CC(F)(F)F)CC2)CCCCC1 96451649 ONKPTCURAZEEOR-UHFFFAOYSA-N 345.409 3.241 30 40 EGEB Cc1nn(CC(C)C)c(C)c1S(=O)(=O)/N=C(\O)C[C@@H]1C=CCC1 96502372 MOOCKWKONRGHIQ-CQSZACIVSA-N 339.461 3.157 30 40 EGEB Cc1cc(C)n(/N=C/c2ccc(Br)s2)c(=O)c1C#N 31253 ZNJWAJQIMLKMSR-FRKPEAEDSA-N 336.214 3.043 30 40 EGEB CCOc1ccc(/C(C)=N/NS(=O)(=O)c2ccc(C)cc2)cc1 369583 WCMJHLSXDQGTOC-NBVRZTHBSA-N 332.425 3.096 30 40 EGEB Cc1ccc(C)c(S(=O)(=O)N/N=C/c2cc(C)n(C3CC3)c2C)c1 33044020 SEYZJVHMGZZJLG-YBFXNURJSA-N 345.468 3.369 30 40 EGEB CC1=C(C)C[C@@H](C(=O)Nc2sc3c(c2C#N)CCC3)[C@H](C(=O)O)C1 213893 GNXSJHRLGPQJHL-CHWSQXEVSA-N 344.436 3.494 30 40 EGEB Cc1cc(C)cc(NC(=O)COC(=O)c2ccc(C#N)cc2F)c1 8335674 BCPONCMXIPVOPH-UHFFFAOYSA-N 326.327 3.110 30 40 EGEB Cc1ccc(S(=O)(=O)OC[C@@]23CC[C@](C)([C@H](O)C2)C3(C)C)cc1 103612062 ZFXRPTRISLWUBJ-KBAYOESNSA-N 338.469 3.278 30 40 EGEB Cc1cc(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c(C)s1 32739324 DRGDMTTVGVBRTP-UHFFFAOYSA-N 339.464 3.195 30 40 EGEB CC(C)NC(=O)[C@H](C#N)C(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 102401458 MZUCKFFHRHGRJA-BXUZGUMPSA-N 340.345 3.432 30 40 EGEB N#C[C@@]1(Nc2ccc(Br)cc2)C(=O)Nc2ccccc21 548931 MCKQWTDZROCLAD-HNNXBMFYSA-N 328.169 3.232 30 40 EGEB N#Cc1ccc(NC(=O)COc2ccc(Br)cc2)cc1 512457 XSUIYNXNGKTNRV-UHFFFAOYSA-N 331.169 3.338 30 40 EGEB Cc1cccc(N2CCN([C@H](C)C(=O)Nc3cccc(C#N)c3)CC2)c1 57323140 ZQTKFMODIYFZCY-QGZVFWFLSA-N 348.450 3.016 30 40 EGEB N#Cc1cccc(NC(=O)CSc2nnc(-c3cccs3)o2)c1 3475090 FLBBIZISYCHWSF-UHFFFAOYSA-N 342.405 3.401 30 40 EGEB N#Cc1ccc(CSC/C(O)=N/S(=O)(=O)c2ccccc2)cc1 48406729 OSQZGXOCHGQATO-UHFFFAOYSA-N 346.433 3.137 30 40 EGEB CCN(CC)C(=O)[C@@H](OC(=O)c1ccc(C#N)cc1)c1ccccc1 13000855 NJOFWLHVYAZVNZ-SFHVURJKSA-N 336.391 3.325 30 40 EGEB Cc1cc(F)cc(S(=O)(=O)Nc2ncccc2OCCCC#N)c1 178183737 LANSLOCTNINBQY-UHFFFAOYSA-N 349.387 3.013 30 40 EGEB O=CN(/C=C1\Sc2ccccc2C1=O)c1ccccc1[N+](=O)[O-] 4691092 ZSUPOWBYLZVJHT-DHDCSXOGSA-N 326.333 3.388 30 40 EGEB N#Cc1c(F)cccc1N1CCC[C@@H](C(=O)Nc2nccs2)C1 69536647 CWUHGBNZFGWXEO-LLVKDONJSA-N 330.388 3.009 30 40 EGEB Cc1nccn1[C@@H]1CCCN(C(=O)c2cc3ccccc3n2CC#N)C1 69901405 XARWBGHLBGTDBM-QGZVFWFLSA-N 347.422 3.147 30 40 EGEB N#Cc1ccc(OCCSc2nncn2-c2ccccc2F)cc1 8706755 KOORFSJXAROZRB-UHFFFAOYSA-N 340.383 3.449 30 40 EGEB CC(C)(NCc1ccc(C#N)cc1F)c1ccc2c(c1)OCCO2 71853293 BGGFQDSJGJADDD-UHFFFAOYSA-N 326.371 3.493 30 40 EGEB CCCC[C@H](CC)C(=O)Nc1c(C#N)cnn1-c1nc(C)cc(C)n1 9698306 GKKLDLBIFYZVJW-AWEZNQCLSA-N 340.431 3.306 30 40 EGEB N#C[C@@H](C(=O)c1ccn2cncc2c1)c1nc(-c2ccncc2)cs1 97034285 UQXQQCLLIDIHCD-HNNXBMFYSA-N 345.387 3.343 30 40 EGEB C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(Cc2cccc(C#N)c2)C1=O 24980570 FEFSDIQZNDPBON-NRFANRHFSA-N 345.402 3.014 30 40 EGEB C=CCOCc1nn(C(C)C)c2c1CCN(Cc1ccccn1)C2 96085021 LKEXDLAZOKLQLB-UHFFFAOYSA-N 326.444 3.120 30 40 EGEB C=CCN1C(=O)CC[C@]12CCCN(C(=O)c1ccsc1)[C@H]2CC 96052463 WVSHONXUSPYVQE-YJBOKZPZSA-N 332.469 3.310 30 40 EGEB COc1nsc(CNc2snc(C)c2C#N)c1Br 603412514 LLVSDVTXXMKLJX-UHFFFAOYSA-N 345.247 3.163 30 40 EGEB C#Cc1cccc(NC(=O)N2CCC[C@H]2c2nnc3n2CCCCC3)c1 65591667 WAQSWNHYAXXJIW-KRWDZBQOSA-N 349.438 3.355 30 40 EGEB N#CCC(=O)c1cccc(I)c1Br 169799932 RBZUSOOOOFHAHB-UHFFFAOYSA-N 349.953 3.150 30 40 EGEB C=CCOc1ccc([C@@H]2NC(=O)c3ccccc3O2)cc1OCC 5001198 YVNDSURNXJRCIU-LJQANCHMSA-N 325.364 3.471 30 40 EGEB C=CCN1C(=O)c2ccc(C(=O)O[C@@H](C)c3ccccc3)cc2C1=O 5569412 ICVZRLORPWGJLG-ZDUSSCGKSA-N 335.359 3.387 30 40 EGEB N#Cc1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1 7056118 UONZHTCLSBHLNB-UHFFFAOYSA-N 343.227 3.183 30 40 EGEB N#Cc1cccc(CN2CCC(COc3cc(C#N)ccn3)CC2)c1 1850851538 UPOQNVPIRFIVPV-UHFFFAOYSA-N 332.407 3.116 30 40 EGEB COc1ccccc1/C=C/c1nc(C#N)c(NCCCN(C)C)o1 8373927 MGQLTVJYUIFKRR-MDZDMXLPSA-N 326.400 3.089 30 40 EGEB CCOC(=O)[C@H](C#N)[C@@H]1C=Cc2ccccc2N1C(=O)c1ccccc1 1621990 GADFRXVPCPNYRH-MJGOQNOKSA-N 346.386 3.432 30 40 EGEB N#Cc1cccc(NC(=O)[C@@H]2CCCN2c2ncnc3ccccc23)c1 11247850 BTYIMHAQRBKMST-SFHVURJKSA-N 343.390 3.109 30 40 EGEB C/C(O)=N/S(=O)(=O)c1cccnc1Nc1cccc(Cl)c1 480481 XLMPEARVHNAVTG-UHFFFAOYSA-N 325.777 3.144 30 40 EGEB COc1ccc(C(=O)/C=C/c2ccc3c(c2)OCCCO3)c(O)c1 4039016 DZTVNCZEBJIELH-XVNBXDOJSA-N 326.348 3.458 30 40 EGEB biogenic CN(Cc1c(F)cccc1Cl)C(=O)COc1cccc(C#N)c1 6602282 UYNJFNJLRSLCOR-UHFFFAOYSA-N 332.762 3.388 30 40 EGEB N#Cc1ccc(OC(F)F)c(NC(=O)Cn2ncc3ccccc32)c1 71884261 BWWZXGIOJILTTL-UHFFFAOYSA-N 342.305 3.148 30 40 EGEB Cc1nc(CCN/C(=N/Cc2ccccc2)NCC2CC2)cs1 80521607 GVOQGAOVAWLRMC-UHFFFAOYSA-N 328.485 3.139 30 40 EGEB Cc1c(Cl)cccc1OCC(=O)N(CCC#N)Cc1ccccn1 96412389 MWZFCWWJIBQKSB-UHFFFAOYSA-N 343.814 3.365 30 40 EGEB C[C@H](NC(=O)N1CCN(c2cccs2)CC1)c1ccc(C#N)cc1 96462860 XFEISGSHSBUKHT-AWEZNQCLSA-N 340.452 3.213 30 40 EGEB Cc1nc(N2CCC[C@@H]2c2ccc(N(C)C)nn2)c(Cl)cc1C#N 591613162 KRAZBNMOIPOBGN-OAHLLOKOSA-N 342.834 3.113 30 40 EGEB Cc1cc(C(=O)N2Cc3ccc(C#N)cc3C2)c(C)n1[C@@H]1CCOC1 600088262 OXPZGNIWRVFCNI-GOSISDBHSA-N 335.407 3.094 30 40 EGEB C=C(C)Cn1c([C@@H](C)c2cnn(C)c2)nnc1N1CCc2ccccc21 1122559886 OZZWGBAMIOPELU-HNNXBMFYSA-N 348.454 3.434 30 40 EGEB Cc1cccc(OCc2nc(C#N)c(N3C[C@@H](C)O[C@H](C)C3)o2)c1 108646 XSODRGURJJWSRS-ZIAGYGMSSA-N 327.384 3.047 30 40 EGEB CCCCCCCCc1nnc(NC(=O)c2nccnc2N)s1 102937452 FLBACQHTNJYNQY-UHFFFAOYSA-N 334.449 3.066 30 40 EGEB C=CCOc1ccccc1C=C1C(=O)OC2(CCCCC2)OC1=O 58865656 WGCPJUNLPCMDJX-UHFFFAOYSA-N 328.364 3.395 30 40 EGEB C=C(C)COC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 25403878 PZCGYQPZLXQKIR-UHFFFAOYSA-N 345.848 3.150 30 40 EGEB C[C@@H](Oc1cccc(C#N)c1)C(=O)Nc1ccc(-n2ccnc2)cc1 58440956 ZTELLUAEIGPDHR-CQSZACIVSA-N 332.363 3.150 30 40 EGEB O=C(CO/N=C/c1ccc(OC(F)F)cc1)N1CCc2ccccc21 3330004 WWKIBLZAKDSVIX-SRZZPIQSSA-N 346.333 3.228 30 40 EGEB Cc1cnc2c(S(=O)(=O)/N=C(\O)CC[C@H]3CCCO3)cccc2c1 48566040 FANLZXBBJBPLJN-CQSZACIVSA-N 348.424 3.148 30 40 EGEB N#Cc1ccc(NCC(=O)Nc2ccc(Oc3ncccn3)cc2)cc1 65488909 YJYCAHSIEXHQBJ-UHFFFAOYSA-N 345.362 3.191 30 40 EGEB CCCCN1C(=O)[C@](O)(CC(=O)/C=C/c2ccco2)c2ccccc21 4554895 IWEIAQWFMZBBRF-CFGKVWFZSA-N 339.391 3.287 30 40 EGEB C[C@H](NC(=O)c1ccc(NC(=O)CC#N)cc1)c1ccc(F)cc1 6560983 KJTIQJWQFQIRLN-LBPRGKRZSA-N 325.343 3.169 30 40 EGEB C=CCn1c(C)c(/C=N/n2c(S)nnc2CC)c2ccccc21 408848833 WIUAJHMVQHKWDN-WOJGMQOQSA-N 325.441 3.461 30 40 EGEB COCCNc1nnc(Sc2cccc(Cl)c2C#N)s1 8988083 UOWDPEVNHIKZCX-UHFFFAOYSA-N 326.834 3.273 30 40 EGEB C=CCOc1ccc(C2N3CC4(C)CN2CC(CCC)(C3)C4=O)cc1 19320861 FXWHBBIPAALMDU-UHFFFAOYSA-N 340.467 3.257 30 40 EGEB C[C@H](C[C@@H](O)c1ccccc1)NC(=O)NCc1cc(C#N)ccc1F 95412567 MOYIHZJUUQPZLJ-FZKQIMNGSA-N 341.386 3.009 30 40 EGEB N#Cc1cccc(N2C[C@@H](O)C[C@@H]2c2ccc(C(F)(F)F)cc2)n1 95973774 RJIGVWPTGKEXFQ-LSDHHAIUSA-N 333.313 3.284 30 40 EGEB CCCCCCCCCNC(=O)c1c(O)n2cccc(C)c2nc1=O 226822345 LHFYFFKTPVLCIU-UHFFFAOYSA-N 345.443 3.189 30 40 EGEB C=CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(-n2cncn2)cc1 28511166 CEHQRAGCIFYKKV-SFHVURJKSA-N 331.379 3.020 30 40 EGEB N#Cc1ccc(CCC(=O)NC[C@H]2CCCN2c2ccccc2)cc1 207989911 YXSMKUPIQHCWCS-HXUWFJFHSA-N 333.435 3.276 30 40 EGEB C[C@H](NC(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1cccs1 40481454 IPXUFIQRWLWGBI-ZDUSSCGKSA-N 340.452 3.109 30 40 EGEB Cc1n(C)c2ccccc2[n+]1CC(=O)c1ccccc1OC(F)F 3219188 LGJCGYSGLCRJDY-UHFFFAOYSA-N 331.342 3.259 30 40 EGEB CCOc1ccc(C#N)cc1NC(=O)c1cccc(NC(=O)OC)c1 69386132 RHZXEKILFWJOGN-UHFFFAOYSA-N 339.351 3.388 30 40 EGEB Cc1nn(-c2ccccc2)c(C)c1NC(=O)COc1ccccc1C#N 4959192 ZHRSPSBMLLQKMW-UHFFFAOYSA-N 346.390 3.378 30 40 EGEB N#Cc1cn(CC(=O)N2CCCCC2)c2ccc(Br)cc12 555392 UZJFLXRVJQNIQI-UHFFFAOYSA-N 346.228 3.288 30 40 EGEB COc1cccc(C/C(=N/O)c2cccc(OC)c2OC)c1OC 104338632 LQMGKQKPAAAPEY-RGEXLXHISA-N 331.368 3.142 30 40 EGEB O=[N+]([O-])[C@@H]1C=CC(O)=C(/C=N/N=C2\C[C@H](c3ccccc3)N=N2)C1 102980012 PEDGQLJLISSTJL-ZTQPLLOFSA-N 325.328 3.385 30 40 EGEB CCOc1c(OC)cc(C#N)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1 408581591 JGRLEQAVHRDKQT-UHFFFAOYSA-N 341.323 3.126 30 40 EGEB C=CCn1c(C)cc(C(=O)CSc2nnc3ccccn23)c1C 3318736 CJONQDFLPVCQMW-UHFFFAOYSA-N 326.425 3.309 30 40 EGEB N#Cc1ccc(OCc2nnnn2-c2ccc(C(F)(F)F)cc2)cc1 48344318 RNAIJDYZGZIEOZ-UHFFFAOYSA-N 345.284 3.132 30 40 EGEB C=CCO[C@@H](C)C(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1 69617111 AJCGGJXICFGKAY-LBPRGKRZSA-N 343.383 3.056 30 40 EGEB CCS(=O)(=O)Nc1ccc(C(=O)/C=C/c2ccc(C#N)cc2)cc1 65566358 YTUIUUZYGGSXBU-KPKJPENVSA-N 340.404 3.216 30 40 EGEB C=C(Cl)COC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 16250649 YQPNIABHEVDCJQ-UHFFFAOYSA-N 340.766 3.295 30 40 EGEB CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)Nc1cccc(C#N)c1 8156962 WNLIHGBZXWYEFI-QGZVFWFLSA-N 339.370 3.090 30 40 EGEB Cc1cc(N2CCN(Cc3ccc(C#N)cc3)CC2)nc(C(C)C)n1 9452388 CTSUNWJLZCZVQA-UHFFFAOYSA-N 335.455 3.102 30 40 EGEB O=C1CCc2cc(C(=O)/C=C/c3ccc(-n4cncn4)cc3)ccc2N1 71853613 ZHQIAEYDFSLJRF-YCRREMRBSA-N 344.374 3.048 30 40 EGEB Cn1cc(/C=C/C(=O)NCc2cccc(OCC#N)c2)c2ccccc21 84314227 LNYHLNORHBFNPJ-MDZDMXLPSA-N 345.402 3.410 30 40 EGEB C[C@H](C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1)n1cnc2ccccc21 95350003 FSEVVYIUJCCCAL-CHWSQXEVSA-N 329.363 3.350 30 40 EGEB N#Cc1cc(Br)ccc1N1CCN(c2ccccn2)CC1 95398704 OMFQQFGLUQOOAI-UHFFFAOYSA-N 343.228 3.042 30 40 EGEB COc1cc(/C(N)=N/OCc2ccccc2F)ccc1OC(F)F 71795025 BXMOIVVUBDPLPC-UHFFFAOYSA-N 340.301 3.273 30 40 EGEB N#Cc1ccc(N2CC[C@H](Sc3nnc(C4CC4)s3)C2=O)cc1 74796454 WNZHTSNJZOZAHU-ZDUSSCGKSA-N 342.449 3.185 30 40 EGEB C=CCN(c1cccc(OC)c1)S(=O)(=O)c1ccc(OC)c(C)c1 224637145 SPPYMGGNLNICDY-UHFFFAOYSA-N 347.436 3.394 30 40 EGEB COc1cccc(/C=C2\SC(=N)[C@H](c3nccs3)C2=O)c1O 136760091 MFIKZNOATLLBEJ-MBHPYPLHSA-N 332.406 3.275 30 40 EGEB Cc1ccn2c(/C=C/C(=O)c3cccc(N4CCOC4=O)c3)cnc2c1 78876724 UQWPQMZYBFTVBM-AATRIKPKSA-N 347.374 3.495 30 40 EGEB Nn1cnnc1N/N=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 4893864 RCOKFHBHAAWSRW-FMQZQXMHSA-N 337.170 3.005 30 40 EGEB C=CCOc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@]2(C)[C@H]1C[C@H](O)[C@@H]2O 8242746 GVKVGOGUDSJCLX-SJFWLOONSA-N 328.452 3.439 30 40 EGEB C[C@@](C#N)(NC(=O)CNc1ccc(OC(F)F)c(Cl)c1)C1CC1 21698726 IBLMONIWSWIVST-HNNXBMFYSA-N 343.761 3.162 30 40 EGEB C=C1C(C)(C)[C@@H]2CC[C@]1(C(=O)N1CCN(c3nccs3)CC1)C2 100773339 VGCUAMZVHIVMOY-KDOFPFPSSA-N 331.485 3.174 30 40 EGEB C=CCOc1ccc(/C=C2/C(=O)N(CC)C(=S)N2C)cc1Cl 409039126 WJYIEYJAGUDVLV-RAXLEYEMSA-N 336.844 3.325 30 40 EGEB C[C@H](CCc1ccc(Br)cc1)NC(=O)CSCC#N 48943090 VGKYPGHBYOXMBZ-LLVKDONJSA-N 341.274 3.143 30 40 EGEB COc1ccc(/N=C2/NC(=O)[C@@H](Cc3ccc(F)cc3)S2)cc1 16739809 JYWICGJGYDQQGN-OAHLLOKOSA-N 330.384 3.296 30 40 EGEB C[C@@H](Sc1ccccc1C(=O)O)C(=O)Nc1ccccc1C#N 15589872 GPPLXEAAGUJAFB-LLVKDONJSA-N 326.377 3.376 30 40 EGEB COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(C(C)C)cc1 409136265 YFOWBVLYGHSLBZ-INIZCTEOSA-N 341.407 3.274 30 40 EGEB C=CCOc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc1OCC 33723157 DUWVEGANHKDYLO-ODLFYWEKSA-N 342.355 3.399 30 40 EGEB Cc1ccc([C@@H]2[C@H](C=O)[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 218656579 QKGKLUQMQDJVJF-BBWFWOEESA-N 334.824 3.403 30 40 EGEB N#Cc1cc(CN[C@@H](CO)c2cccc(Br)c2)ccc1F 183912524 CNPPDVHNYGGYIG-INIZCTEOSA-N 349.203 3.283 30 40 EGEB N#CCCn1c2c(sc1=O)[C@@H]1c3ccccc3OC[C@H]1CS2 32594743 KWSCKUKCRVAFGH-GWCFXTLKSA-N 330.434 3.070 30 40 EGEB Cc1cc(N2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)c(C#N)cn1 579465628 VHDJBOQGVLXHOR-CQSZACIVSA-N 348.328 3.333 30 40 EGEB CCOC(=O)/C(=N/Nc1c(Cl)cc(Cl)cc1Cl)C(=O)C#N 1554503598 PSQWGXJAOUHSJP-WOJGMQOQSA-N 348.573 3.070 30 40 EGEB N#Cc1cccc(NC(=O)COc2ccccc2Br)c1 6000036 HPOVLXSZIGHXDA-UHFFFAOYSA-N 331.169 3.338 30 40 EGEB N#Cc1c(NC(=O)CSC2=NCCS2)sc2c1CCCC2 33221 FELKDIILSAVPNN-UHFFFAOYSA-N 337.495 3.273 30 40 EGEB aggregator CC1(C)OB(c2ccc(-c3noc(C(F)(F)F)n3)cc2)OC1(C)C 1857794611 CVTVQOBYVLHPMN-UHFFFAOYSA-N 340.110 3.055 30 40 EGEB Cc1ccc(Sc2ccc(/C=N/[C@H]3CCS(=O)(=O)C3)o2)cc1 32593345 JYWJRGHIKMAPON-VZWMTCDZSA-N 335.450 3.345 30 40 EGEB C[C@@H](Nc1ccc2c(c1)OCCCO2)C(=O)Nc1ccccc1C#N 33040060 FKYACKKUBWHYBV-CYBMUJFWSA-N 337.379 3.159 30 40 EGEB C#CCN(Cc1ccco1)C(=O)C1=Cc2cccc(OCC)c2OC1 58062246 DWFADCIUYLOGAL-UHFFFAOYSA-N 337.375 3.116 30 40 EGEB Cc1nc2ccccc2c(=O)n1/N=C/c1ccccc1OC(F)F 3276401 DPKTXZXLEYOYIF-KEBDBYFISA-N 329.306 3.189 30 40 EGEB C#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)c1 12922469 AWQFEKBRPWSPDH-SFHVURJKSA-N 334.375 3.038 30 40 EGEB N#Cc1ccc(C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)cc1 14125133 INLPORDPVLEVMX-UHFFFAOYSA-N 345.855 3.231 30 40 EGEB CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1Cc1cc(C#N)ccc1F 69668108 HVUCDJXROPRAQT-QZTJIDSGSA-N 329.419 3.063 30 40 EGEB Cc1ccc(C#N)cc1NC(=O)c1ncccc1OCc1ccncc1 75582630 LCJRMNQDVGPKLM-UHFFFAOYSA-N 344.374 3.488 30 40 EGEB CC(=O)NCc1ccc(C(=O)N(CCC#N)c2ccc(F)cc2)cc1 78913065 UAMAYZQVPFKEDP-UHFFFAOYSA-N 339.370 3.022 30 40 EGEB CC[C@H]1CN(/C(=N/C)NCc2ccnn2C)CC[C@H]1c1ccccc1 95975406 PMTABNOETBWAGF-QFBILLFUSA-N 339.487 3.011 30 40 EGEB CC(C)(C)c1cnc(CN2CC[C@H](CNc3ncccc3C#N)C2)o1 65512146 UVPXFJNSHWHBGC-CQSZACIVSA-N 339.443 3.173 30 40 EGEB C/C(=N/Nc1c(F)c(F)nc(F)c1F)c1ccc2c(c1)OCO2 38758287 QQXHNJWRMDSVBK-IOXNKQMXSA-N 327.237 3.203 30 40 EGEB C=CCO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1cc2ccccc2o1 96041542 YCCRHZIIOLJUEO-YXJHDRRASA-N 327.380 3.007 30 40 EGEB CC(C)c1ccsc1C(=O)N1CCN(c2cc(C#N)ccn2)CC1 53298330 CJYQOXWCDGPFGL-UHFFFAOYSA-N 340.452 3.101 30 40 EGEB N#CCN(CC#N)C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 58149480 AZXLYDXKENOKOJ-UHFFFAOYSA-N 333.269 3.455 30 40 EGEB Cc1cc([N+](=O)[O-])cc(/C=N/c2ccc(NC(N)=S)cc2)c1O 16269536 HLWGMLNASDAVQM-CAOOACKPSA-N 330.369 3.015 30 40 EGEB C/C(=N\c1ccccc1S(=O)(=O)O)c1cc2ccccc2oc1=O 5382300 CUPVNADPAIJAFV-WOJGMQOQSA-N 343.360 3.180 30 40 EGEB COc1ccc(CCCN(C)C(=O)c2cccc(C#N)c2)cc1OC 31496177 YBXZVWHHONEEIO-UHFFFAOYSA-N 338.407 3.280 30 40 EGEB O/N=C1/[C@H]2CC[C@H](C2)[C@H]1N1CCC(O)(c2ccc(Cl)cc2)CC1 100965306 JJFZNGPATRNWJU-AJNLPBSFSA-N 334.847 3.252 30 40 EGEB COC(=O)c1cc(-c2ccc(F)cc2)nc2c1c(C)nn2CCC#N 12396335 MGCJFDRGSKTEFZ-UHFFFAOYSA-N 338.342 3.246 30 40 EGEB O=C(O)COc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O 5305861 GPUPIEWPIYYXFJ-CHHVJCJISA-N 330.723 3.420 30 40 EGEB biogenic N#Cc1ccc(NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)cc1Cl 6471147 CUJGFXJTYBXTCU-CYBMUJFWSA-N 345.830 3.331 30 40 EGEB C=CCN(CC(=O)OCC)c1nc(C)nc2sc3c(c12)CCC3 95443199 SAZYFEYOMQRONB-UHFFFAOYSA-N 331.441 3.044 30 40 EGEB N#Cc1cccc(NC(=O)CCN2CCC(c3ccc(O)cc3)CC2)c1 32903216 MFMLHRFHCFZLMY-UHFFFAOYSA-N 349.434 3.472 30 40 EGEB N#C[C@@H]1CN(C(=O)NC[C@@H]2CCCC2(F)F)C[C@H]1c1ccccc1 333162964 HRTHCVFIDWTYAW-PMPSAXMXSA-N 333.382 3.371 30 40 EGEB N#Cc1ccccc1-c1ccc(CNC(=O)N2CCC[C@H](CO)C2)cc1 91247969 PAMHGEKQVLOSQH-KRWDZBQOSA-N 349.434 3.139 30 40 EGEB Cc1nc([C@H]2CCCN2Cc2cc(Cl)ccc2OCC#N)no1 76016945 ARSLWLFEMJFFNC-CQSZACIVSA-N 332.791 3.271 30 40 EGEB Cc1cccc(/C(O)=N/S(=O)(=O)Cc2ccc(C#N)cc2)c1C 48507793 KYBAYIVZHNFPEC-UHFFFAOYSA-N 328.393 3.010 30 40 EGEB CCc1nnc(S)n1/N=C/c1ccc(OCC(C)C)c(OC)c1 5486190 FPVMSYXPQFTGDT-RQZCQDPDSA-N 334.445 3.055 30 40 EGEB N#Cc1ccc(N2CCC[C@@H](C(=O)N3CCC(F)(F)CC3)C2)cc1 2298047645 LBZZOXDXJBGGGK-OAHLLOKOSA-N 333.382 3.032 30 40 EGEB CC/N=C(\NCc1ccco1)NC[C@H]1CCO[C@H]1c1ccccc1 104202029 VULPIPWCHYAHGN-AEFFLSMTSA-N 327.428 3.113 30 40 EGEB Cc1nc(-c2ncccn2)sc1C(=O)N[C@@H](C)c1ccc(C#N)cc1 55199444 RTWDFIJBHRVEMO-NSHDSACASA-N 349.419 3.271 30 40 EGEB C=CCNC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1 2151663 MWMJPRSMQMGBGZ-UHFFFAOYSA-N 335.359 3.141 30 40 EGEB biogenic CC(C)[C@@](C)(C#N)NC(=O)CN[C@H](c1cccnc1)C1CCCCC1 65591323 WTXRUXABQCYIFQ-VQTJNVASSA-N 342.487 3.347 30 40 EGEB C[C@@H]1C[C@@H](C)CN(CCCNC(=S)Nc2ccc(CC#N)cc2)C1 225728004 LWCGDSFJEXQZPG-HZPDHXFCSA-N 344.528 3.407 30 40 EGEB Cc1ccc(-c2nc(C#N)c(S(=O)(=O)c3ccc(F)cc3)o2)cc1 80344593 COGDAKLLJWHFFC-UHFFFAOYSA-N 342.351 3.494 30 40 EGEB COc1ccccc1[C@H]1Nc2nonc2NC2=C1C(=O)CC(C)(C)C2 12390456 GKRRZXYTXRUJIC-OAHLLOKOSA-N 340.383 3.300 30 40 EGEB C=CCNc1nnc(S[C@@H](C(=O)NC2CC2)c2ccccc2)s1 7504348 HZFZETJGSDNXRH-CYBMUJFWSA-N 346.481 3.248 30 40 EGEB CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N(C)Cc1c(F)cccc1Cl 32832201 PJWOTETWCKWPFW-SJCJKPOMSA-N 339.842 3.354 30 40 EGEB Cn1cc(CC(=O)[C@@H](C#N)C(=O)Nc2ccccc2F)c2ccccc21 103696791 FFURSBUIKLBFGV-OAHLLOKOSA-N 349.365 3.207 30 40 EGEB C/C(CC(=O)C(F)(F)F)=N\C[C@H](C)/N=C(\C)CC(=O)C(F)(F)F 104327360 VNLNAOXDCUNKIA-MMHHRTTBSA-N 346.271 3.340 30 40 EGEB CCOc1ccccc1-c1nc(C/C(O)=N/c2ncn[nH]2)cs1 23141133 FPRNMIPFQKHFJJ-UHFFFAOYSA-N 329.385 3.158 30 40 EGEB C=CCO[C@H](C)C(=O)N[C@@H](C)c1ccc(OC)c(Br)c1 58342994 XHQGLRKFTKANCD-WDEREUQCSA-N 342.233 3.226 30 40 EGEB C[C@H](Oc1cccc(C#N)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 12909329 PBICLQNIQNONEM-NSHDSACASA-N 325.755 3.489 30 40 EGEB C/C(=N\Nc1cccc(C(=O)O)c1)c1ccc(N2CCCC2=O)cc1 13337031 JEKUBEMIFAXTSV-DEDYPNTBSA-N 337.379 3.348 30 40 EGEB Cc1onc(C#N)c1C(=O)Nc1ncc(C(F)(F)F)cc1Cl 4041257 JJHFODFHTONIKM-UHFFFAOYSA-N 330.653 3.174 30 40 EGEB C=CCCCOC(=O)[C@@H](CC)N(Cc1ccco1)C(=O)n1ccnc1 5115030 WBTYBAGIHOISOQ-MRXNPFEDSA-N 345.399 3.234 30 40 EGEB in-vitro C=CCSc1nnc(CNC(=O)c2ccccc2C)n1C(C)C 6217964 WYXDCXULOLMUJU-UHFFFAOYSA-N 330.457 3.376 30 40 EGEB C=CCN1CCC(NC(=O)N2CCC[C@H]2c2ccc(F)cc2)CC1 65590293 FZZYPKQEQJTECR-SFHVURJKSA-N 331.435 3.323 30 40 EGEB Cn1cc(/C=C/C(=O)N(CCC#N)C2CCOCC2)c2ccccc21 80024755 LARGPZGJPUEWHJ-BQYQJAHWSA-N 337.423 3.113 30 40 EGEB C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)Cc1cc(C)no1 72275120 SLMCPQVBXKOSDD-UHFFFAOYSA-N 346.861 3.216 30 40 EGEB COc1ccc(C)cc1-n1ccc(C(=O)Nc2cc(C#N)ccc2O)n1 72311689 SOURHUVYFKKZJA-UHFFFAOYSA-N 348.362 3.019 30 40 EGEB N#Cc1cccc(CNC(=O)N2CC[C@H](COCc3ccccc3)C2)c1 78940426 VQRDSZGMRGFRRI-FQEVSTJZSA-N 349.434 3.307 30 40 EGEB COc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@H]2c2ccc(F)cc2)cc1 5686969 JDHJHRQXHXPOEL-INIZCTEOSA-N 341.338 3.042 30 40 EGEB COc1cccc([C@@H]2Nc3nonc3NC3=C2C(=O)CC(C)(C)C3)c1 12408605 RKMAUOBCBKBZPN-HNNXBMFYSA-N 340.383 3.300 30 40 EGEB C=C(C)CN1CCC(NC(=O)N(C)[C@H]2CC[C@@H](SCC)C2)CC1 96462918 QISPKAQQRGWRDI-DLBZAZTESA-N 339.549 3.343 30 40 EGEB Cc1nn(CCOc2c(Cl)cccc2Cl)c(=O)c(C#N)c1C 7780603 PVJGFBLCRASQLR-UHFFFAOYSA-N 338.194 3.118 30 40 EGEB O=C1CC(c2cccc(Cl)c2)CC(=O)C1=C1N[C@H]2CCCC[C@@H]2N1 9287880 YPKQQCKHIUJHRE-GJZGRUSLSA-N 344.842 3.071 30 40 EGEB N#Cc1c(C#N)c(-c2ccccc2)n(-c2ccc(C(=O)O)cc2)c1N 547501 RPQYUNPKWDJCMV-UHFFFAOYSA-N 328.331 3.168 30 40 EGEB C/N=c1\scc(-c2ccccc2)n1/N=C/c1ccc2c(c1)OCO2 12660963 KAKZXBBOCJKJEU-VZIMSOPNSA-N 337.404 3.358 30 40 EGEB CCSC1=N/C(=C\c2c(OC)cc(OC)cc2OC)C(=O)S1 5150873 UDVFMEHITGWNFT-FLIBITNWSA-N 339.438 3.436 30 40 EGEB Cc1cc(S[C@@H](C)C(=O)N(C)C)n2c(nc3ccccc32)c1C#N 6930432 GHRWCZKYGYIDSA-LBPRGKRZSA-N 338.436 3.236 30 40 EGEB N#Cc1ccc(OCC(=O)Nc2ccc3c(c2)OCCO3)c(Cl)c1 7856470 NWGOSHBRILCADE-UHFFFAOYSA-N 344.754 3.000 30 40 EGEB COc1ccc(C(=O)c2ccccc2C(=O)N2CCC(C#N)CC2)cc1 96004534 RGAZQCMCYGYQFL-UHFFFAOYSA-N 348.402 3.302 30 40 EGEB C=CCOc1ccc(C(=O)NCCOc2ccccc2OC)cc1 29979618 FGKGLJXYEASROW-UHFFFAOYSA-N 327.380 3.069 30 40 EGEB Cc1ccccc1COc1nn(Cc2ccc(F)cc2)c(N)c1C#N 225842803 PVXAWMKFIAWBRZ-UHFFFAOYSA-N 336.370 3.412 30 40 EGEB N#CCSc1ccccc1NC(=O)CN1CCC[C@H]1c1ccc[nH]1 96443278 DUDUDEXUFWQAOD-INIZCTEOSA-N 340.452 3.406 30 40 EGEB O=C1CCCC2=C1[C@H](c1cccs1)n1nc(C(F)(F)F)nc1N2 5240845 PHHYBAWQJWJJSY-NSHDSACASA-N 340.330 3.380 30 40 EGEB C=C(C)C(=O)Oc1cccc(N2C(=O)[C@H]3CC(C)=CC[C@H]3C2=O)c1 3056386 GRNRHXJUPQDZDB-CVEARBPZSA-N 325.364 3.014 30 40 EGEB C=CCOC(=O)c1cnc2nc(-c3ccccc3Cl)nn2c1C 10382283 WXSWSLXZTUBDSV-UHFFFAOYSA-N 328.759 3.096 30 40 EGEB C[C@@H]1C[C@@H]1c1ccc(CN(C)S(=O)(=O)c2cccc(C#N)c2)o1 22246386 BMIJJLTZVHOGOO-WBMJQRKESA-N 330.409 3.095 30 40 EGEB Cc1cccc([C@@H]2CC(=O)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)c1 1427537 IJDFBCUAQQBISO-HNNXBMFYSA-N 326.440 3.431 30 40 EGEB CCOc1cc(/C=N/n2cnnc2)ccc1OCc1ccc(C)cc1 1789205 YJBABAZUKWTACY-SSDVNMTOSA-N 336.395 3.446 30 40 EGEB C=CCO[C@H](C)C(=O)Nc1nnc(SCc2cccs2)s1 58363598 LILOWWVRHIWKIU-SECBINFHSA-N 341.483 3.422 30 40 EGEB COC[C@]1(C#N)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218045063 RUEZDNIUIFOANR-CEXWTWQISA-N 341.432 3.091 30 40 EGEB C=CCN(C)C(=O)Nc1ccc(C(=O)NCc2ccco2)cc1C 195571166 XZDUWUJBXJXVGP-UHFFFAOYSA-N 327.384 3.168 30 40 EGEB CCS[C@H]1CCC[C@H](NS(=O)(=O)Cc2cccc(C#N)c2)C1 96452719 XFFWSLKVFKACCJ-HOTGVXAUSA-N 338.498 3.042 30 40 EGEB CC[C@H](NS(=O)(=O)c1cc(Cl)ccc1C#N)c1ccncc1 96483545 HRYPVWHICYLABW-AWEZNQCLSA-N 335.816 3.036 30 40 EGEB CC(C)(C)OC(=O)c1cc(NC(=O)C2(C#N)CCCC2)ccc1O 600670914 GUBRWNRPODRHFJ-UHFFFAOYSA-N 330.384 3.370 30 40 EGEB COC(=O)c1ccc(/C=C/C(=O)c2cc(OC)ccc2OC)cc1 5129436 KGDRLXFEHIQGHY-UXBLZVDNSA-N 326.348 3.387 30 40 EGEB C=CCOc1ccc(/C=C2\SC(=O)NC2=O)cc1Br 12598675 UNJQCVCWDRPEJZ-XFFZJAGNSA-N 340.198 3.338 30 40 EGEB CCNC(=S)N/N=C/c1cc(C)n(-c2ccc(CC)cc2)c1C 6351085 HKKDUCGFGQBCFP-UDWIEESQSA-N 328.485 3.474 30 40 EGEB N#Cc1ccnc(O[C@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)c1 575605019 FUHCRYQZXVHLGC-INIZCTEOSA-N 341.798 3.290 30 40 EGEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc2c(c1)CCO2 31344057 YXQBXTBXDXHLIK-UHFFFAOYSA-N 333.347 3.438 30 40 EGEB CN(CCC#N)c1ccc(CNC[C@@H](c2ccccc2)N(C)C)cc1 22095919 HTDODXNVFUFIKL-NRFANRHFSA-N 336.483 3.429 30 40 EGEB C#CCOc1ccccc1CNC1CCN(Cc2ccccc2)CC1 58165454 YBCYFGYYSGVMLX-UHFFFAOYSA-N 334.463 3.453 30 40 EGEB C[C@H](c1nnc(SCCCC#N)n1-c1ccc(F)cc1)N(C)C 44865584 HLDAHGIILBYJEQ-GFCCVEGCSA-N 333.436 3.425 30 40 EGEB CNC(=S)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 8691964 CUXDVNJSDGYRNJ-UFFVCSGVSA-N 340.427 3.257 30 40 EGEB C/C(=N\Nc1ccc(Cl)c(C(=O)O)c1)c1ccc2c(c1)CC(=O)N2 96291475 UDUDGKKMTSTVKQ-AWQFTUOYSA-N 343.770 3.369 30 40 EGEB C#Cc1cccc(N(Cc2ccco2)C(=O)Cc2c(C)nn(C)c2C)c1 71795883 MDGDLNJIYMBFIY-UHFFFAOYSA-N 347.418 3.387 30 40 EGEB N#Cc1cc(F)ccc1NC[C@H]1CC(=O)N(CCc2ccccc2)C1 89832343 MWYBFYTVQXUCDY-MRXNPFEDSA-N 337.398 3.200 30 40 EGEB Cc1ccc([C@H](CNCc2cccc(C#N)c2)N2CCOCC2)s1 75603931 VTPXRPRTMJIYQN-SFHVURJKSA-N 341.480 3.091 30 40 EGEB CCOc1cc(C=C2C(=O)CC(C)(C)CC2=O)ccc1OCC#N 408994075 YIVDMZSRAWGXSP-UHFFFAOYSA-N 327.380 3.329 30 40 EGEB C[C@@H](Cc1cccs1)/C(O)=N/S(=O)(=O)Cc1ccc(C#N)cc1 76759540 NBTVCTLPBHXAMY-LBPRGKRZSA-N 348.449 3.285 30 40 EGEB O=c1c2ccccc2nc(N/N=C/c2ccccn2)n1-c1ccccc1 35167549 WBCGTEFVUJBIGE-HYARGMPZSA-N 341.374 3.227 30 40 EGEB C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC/C2=C\CO 33838940 SBMHTRUNPKWTLU-QMERZLORSA-N 330.468 3.408 30 40 EGEB COc1ccc(COc2nn(Cc3ccccc3C)c(N)c2C#N)cc1 225844696 YQNJVKPUHOXKIC-UHFFFAOYSA-N 348.406 3.281 30 40 EGEB N#C[C@H](c1c(F)cccc1Cl)N1CCC[C@@H](N2CCCC2=O)C1 195531726 OEOYPTGPOZSVPX-IUODEOHRSA-N 335.810 3.131 30 40 EGEB O=S(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl 4683033 UPLUJYOFSVMSOR-UHFFFAOYSA-N 344.858 3.339 30 40 EGEB CC1=NN(c2ccccc2)C(=O)[C@@]12[C@@H](c1ccccc1)C2(C#N)C#N 16957315 FHDQRKRZCSVIJW-PXNSSMCTSA-N 326.359 3.226 30 40 EGEB N#Cc1cccc(CN2CCC[C@@H](C(=O)N3CCC(F)(F)CC3)C2)c1 2298196411 MYKWGGPQXMYZMB-QGZVFWFLSA-N 347.409 3.028 30 40 EGEB CC1(C)CC(=O)C2=C(C1)N(C1CCCCC1)C(=O)[C@]2(O)C(F)(F)F 2399213 YSIKFBDMPKHKGN-INIZCTEOSA-N 345.361 3.098 30 40 EGEB Cc1nc(-c2cccc(C(=O)N[C@@H](C#N)c3ccccc3F)c2)no1 96423675 IKZJGZMXOUSWQG-INIZCTEOSA-N 336.326 3.179 30 40 EGEB COCC/N=c1/scc(-c2cc(C)[nH]c2C)n1N=C1CCCC1 102831364 YMXDOEKTFHBSRH-ISLYRVAYSA-N 332.473 3.487 30 40 EGEB C=C(C)C(=O)NC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)C1 3154511 BKTNHKCSXCCZBH-UHFFFAOYSA-N 346.601 3.389 30 40 EGEB C=CCn1c(SCC(=O)N2CCCCC2)nnc1-c1ccoc1C 3349030 RUCWDZNPBRQOHL-UHFFFAOYSA-N 346.456 3.137 30 40 EGEB C[C@H](OC(=O)c1ccc(Cl)s1)C(=O)Nc1ccccc1C#N 4242700 XTNANHZEJXXPMD-VIFPVBQESA-N 334.784 3.457 30 40 EGEB C/C(=N\Nc1cccc(C(=O)O)c1)c1ccc(N2CCOCC2)cc1 6368088 VVECALICEWMVAX-XSFVSMFZSA-N 339.395 3.058 30 40 EGEB COc1cc(C(=O)N[C@H](C#N)c2cnn(-c3ccccc3)c2)ccc1C 65554031 JGIFOMADPKKGAW-GOSISDBHSA-N 346.390 3.184 30 40 EGEB N#CC1(NC(=O)CSC[C@@H](O)c2ccccc2)CCCCCC1 65588621 KPQJTMAQQPDRQQ-MRXNPFEDSA-N 332.469 3.186 30 40 EGEB Cn1ccc(C(=O)N(Cc2ccccc2)c2ccccc2C#N)cc1=O 69809943 AQIFAHXGDLRCGP-UHFFFAOYSA-N 343.386 3.104 30 40 EGEB N#Cc1c(F)cccc1NCCNC(=O)c1sccc1C1CC1 67202714 BQCGJVWJBRBSEQ-UHFFFAOYSA-N 329.400 3.478 30 40 EGEB C[C@](C#N)(NC(=O)CNc1ccc(OC2CCCC2)c(F)c1)C1CC1 96427583 GXDXBGPYVPZJIG-LJQANCHMSA-N 345.418 3.367 30 40 EGEB CC(C)[C@](C)(C#N)NC(=O)CSc1nccn1Cc1ccccc1 9367272 CRNRXMMSXJTWFS-SFHVURJKSA-N 342.468 3.078 30 40 EGEB Cc1nn(C)c(Cl)c1[C@@H]1CCCN1C(=O)c1sccc1C#N 75602419 XYHMBBASFSJOAS-NSHDSACASA-N 334.832 3.292 30 40 EGEB CCCc1nn2c(N)c(C#N)nnc2c1-c1cccc2ccccc12 20636144 JXHBHCYGBYUAPQ-UHFFFAOYSA-N 328.379 3.351 30 40 EGEB O=C1/C(=N\Nc2ccccc2)c2cc(F)cc(F)c2N1C1CSC1 223748073 MOJYSLOFECMCOK-QNGOZBTKSA-N 345.374 3.243 30 40 EGEB C=CCN(Cc1ccc(C(F)(F)F)cc1C)[C@H]1CCS(=O)(=O)C1 191056577 OZRUIMCZSJFMFT-HNNXBMFYSA-N 347.402 3.189 30 40 EGEB COc1ccccc1COc1nn(Cc2cccc(C)c2)c(N)c1C#N 225845482 WEYSREDDICEANS-UHFFFAOYSA-N 348.406 3.281 30 40 EGEB CC[C@H](C#N)Oc1cccc(CNC(=O)N2C[C@H]3CC=CC[C@H]3C2)c1 96440294 APVUDXQJCQCWAD-FGTMMUONSA-N 339.439 3.475 30 40 EGEB C#CCSc1nnc(CNC(=O)c2ccc(C(C)(C)C)cc2)o1 5107349 VYWMNXUZFZKEEB-UHFFFAOYSA-N 329.425 3.022 30 40 EGEB CCOc1ccc([C@H]2C3=C(C[C@H](C)CC3=O)Nc3nc(C)nn32)cc1 14607486 XUEXNWVQZVZXDY-VOJFVSQTSA-N 338.411 3.253 30 40 EGEB CNc1ccccc(C(=O)/C=C/c2ccc(OC)c(OC)c2)c1=O 19909664 XRQPJPSHTLSDMV-CSKARUKUSA-N 325.364 3.002 30 40 EGEB Fc1ccc(N/N=C/Cc2nnnn2-c2ccccc2)cc1Cl 5604623 XCHNVQODZHGHMM-GIJQJNRQSA-N 330.754 3.095 30 40 EGEB CCc1c(C)sc(NC(=O)c2ccc(CNC(C)=O)cc2)c1C#N 68677814 FAENQZFCHWBQTR-UHFFFAOYSA-N 341.436 3.379 30 40 EGEB N#Cc1ccsc1NC(=O)COC(=O)CCCc1cccs1 11318204 IHGKZWVRMUSXRJ-UHFFFAOYSA-N 334.422 3.186 30 40 EGEB N#Cc1cccc(NC(=O)CCN2C(=O)CSc3ccccc32)c1 8135480 ULPISLREETWYEB-UHFFFAOYSA-N 337.404 3.026 30 40 EGEB Cn1cc(C#N)cc1C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 81664767 FNCIQDPWQWDMKK-AWEZNQCLSA-N 334.379 3.058 30 40 EGEB N#Cc1ccc(NC(=O)N(Cc2ccncc2)C[C@H]2CCCO2)cc1 58014561 JVSQMRFHMOHCSK-GOSISDBHSA-N 336.395 3.166 30 40 EGEB CCC(=O)N1CCC[C@H]1[C@H]1CCCN1Cc1cc(C#N)ccc1F 69668113 HVUCDJXROPRAQT-MSOLQXFVSA-N 329.419 3.063 30 40 EGEB COC(=O)[C@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccco1)C2=O 5397446 ULPFHLQSWSCNCQ-GPILYODUSA-N 328.320 3.145 30 40 EGEB Cc1cc(C)cc(/N=C(/N)SCc2cc(=O)n3ccsc3n2)c1 7665376 YVCHKEUTCDIDAB-UHFFFAOYSA-N 344.465 3.252 30 40 EGEB CN(CCC#N)C(=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1 96008724 NJDSWLNYPUOFMP-UHFFFAOYSA-N 337.305 3.268 30 40 EGEB Cc1cc(N2CC[C@@H](N3CCCC3)C2)n2c(nc3ccccc32)c1C#N 72089556 RCBLLXVYEOZCMK-MRXNPFEDSA-N 345.450 3.342 30 40 EGEB COc1cccc(/C=N\c2ccc([N+](=O)[O-])cc2)c1O[C@H](C)C(=O)O 409238829 NYFWGIWFLUGXEN-IPHDDYSGSA-N 344.323 3.206 30 40 EGEB COc1ccc(-n2nc(C#N)c(N3CC[C@H](c4ccccc4)C3)n2)cc1 256049308 ZHAFFARERDSGSX-INIZCTEOSA-N 345.406 3.141 30 40 EGEB C[C@H](C(=O)NO)[C@H](C)C=C1CCN(C(=O)OCc2ccccc2)CC1 257247157 IXSRXDKUAIYCID-CABCVRRESA-N 346.427 3.123 30 40 EGEB N#Cc1ccc(OC2CCN(C(=O)/C=C/c3ccccc3)CC2)nc1 90607625 ROYWMBWOHNIBEZ-VQHVLOKHSA-N 333.391 3.036 30 40 EGEB COc1ccc(/C=N/n2c(C)cc(C)c(C#N)c2=O)c2ccccc12 116552 OOCIYAGKGITJAH-WSDLNYQXSA-N 331.375 3.381 30 40 EGEB CCOC(=O)c1ccc(/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 222144 QDYPYSBMOVBGRL-GIJQJNRQSA-N 342.307 3.251 30 40 EGEB C#CCOC[C@H]1CCCN(C(=O)c2cc(Cl)ccc2Cl)C1 49031651 NQNKITFPHRMRPL-LBPRGKRZSA-N 326.223 3.495 30 40 EGEB C[C@H](O/N=C/c1cccc([N+](=O)[O-])c1)C(=O)NCC1CCCCC1 32958272 CBSWADJOXBXPNB-HCZVKUGISA-N 333.388 3.030 30 40 EGEB COC(=O)/C(=N/Nc1ccccc1OC)N1CCCc2ccccc21 553162 SXGARBWBMIPAGL-UZYVYHOESA-N 339.395 3.046 30 40 EGEB CN(C(=O)CN1CCCc2cccc(F)c21)C1(C#N)CCCCC1 22846436 KHARAAVERIFDIB-UHFFFAOYSA-N 329.419 3.263 30 40 EGEB COc1ccc(/C=N\CC(OC)OC)cc1OCc1ccccc1 100285594 LJOPWJLGPXUYFM-NDENLUEZSA-N 329.396 3.312 30 40 EGEB CN(Cc1cccc(C#N)c1)C(=O)Cc1coc(-c2ccccc2)n1 25103622 WSBKRTNHTJQAAF-UHFFFAOYSA-N 331.375 3.414 30 40 EGEB N#C[C@@H](NC(=O)c1cccc(C(N)=O)c1)c1ccc(Cl)c(Cl)c1 68457617 NIPFNMOECIUQDG-CQSZACIVSA-N 348.189 3.087 30 40 EGEB C=CCN(C(=O)c1ccc2c(c1)C(=O)N(C1CC1)C2=O)C1CCCC1 66025363 ZPDNLFLWFCSJCS-UHFFFAOYSA-N 338.407 3.016 30 40 EGEB C[C@H](C1CC1)N(CCC#N)S(=O)(=O)c1ccc(F)cc1Cl 69619856 SDLKECCGLFCHOC-SNVBAGLBSA-N 330.812 3.182 30 40 EGEB CC(C)Oc1cc(Br)cc(C(=O)NC(C)(C)C#N)c1 78971944 YZRLYQBRTJDESS-UHFFFAOYSA-N 325.206 3.268 30 40 EGEB N#Cc1cccc(CNC(=O)N2CC[C@@H](COCc3ccccc3)C2)c1 78940421 VQRDSZGMRGFRRI-HXUWFJFHSA-N 349.434 3.307 30 40 EGEB C=CCn1c(SCN2CCCCC2=O)nnc1-c1cccs1 97080624 CCBPMZDBWZUUKZ-UHFFFAOYSA-N 334.470 3.255 30 40 EGEB CCN([C@H](C)c1cc2ccccc2o1)S(=O)(=O)CC1(C#N)CC1 97379587 SXTQPKVBLCLBPH-CYBMUJFWSA-N 332.425 3.449 30 40 EGEB Cc1c(C#N)c(NC(=O)CNC(C)(C)C)n(-c2cccc(F)c2)c1C 32797135 AYXAARAXPBYAPI-UHFFFAOYSA-N 342.418 3.432 30 40 EGEB N#Cc1cc(NC(=O)N2CC[C@H](CO)C2)ccc1Oc1ccccc1 189477924 GZAPJBXEMGRBDI-AWEZNQCLSA-N 337.379 3.197 30 40 EGEB Cc1cccc(NC(=O)C2CCN(Cc3ccccc3C#N)CC2)n1 53162207 TYPIFCLIYNWVNJ-UHFFFAOYSA-N 334.423 3.112 30 40 EGEB N#Cc1cc([N+](=O)[O-])ccc1NCc1ccc(Cn2cccn2)cc1 12522994 CLOUAKMGIQPJNM-UHFFFAOYSA-N 333.351 3.323 30 40 EGEB Cc1ccc(-c2ccc(C#N)s2)cc1NC(=O)CCn1cncn1 56474955 PQMSCUQEOQUCEO-UHFFFAOYSA-N 337.408 3.216 30 40 EGEB Cc1nc(SCC(=O)N(CCC#N)c2ccccc2)nc(C)c1C 3341690 OJOJLPUENQDDDV-UHFFFAOYSA-N 340.452 3.441 30 40 EGEB Cc1cccc(/C(N)=N/OC(=O)[C@H](C)Oc2cccc(Cl)c2)c1 4723527 XMMGIRDREZNWKL-LBPRGKRZSA-N 332.787 3.279 30 40 EGEB CCCN(CC#N)C(=O)c1nc(C)n(-c2ccccc2C(C)C)n1 69393787 UTEAIOPPDBZSBQ-UHFFFAOYSA-N 325.416 3.075 30 40 EGEB Cc1ccc2nc(C3=C(N)N(c4cccc(Cl)c4)CC3=O)[nH]c2c1 8844109 PQBAFKVMNSVRJT-UHFFFAOYSA-N 338.798 3.241 30 40 EGEB CSc1nc(O)c(C(=O)N2CC[C@H](C)[C@H]3CCCC[C@H]32)cc1C#N 84697862 YIEJHRYILFGJAW-NJZAAPMLSA-N 345.468 3.422 30 40 EGEB C[C@@H]1CC[C@]2(C)[C@@H](C[C@@H](O)[C@H](O)[C@]23CO3)[C@@]1(C)CCc1ccoc1 31160074 DORFFLQTHPKFDY-LEGXYDGLSA-N 334.456 3.165 30 40 EGEB biogenic,in-vitro N#Cc1ccccc1COc1ccccc1C(=S)N1CCOCC1 33596475 OUZRCZMVQNDNLY-UHFFFAOYSA-N 338.432 3.145 30 40 EGEB COc1ccc(/C=N\OCC(=O)Nc2ccc(Cl)cc2)cc1OC 33605404 OQBWTABFXFCXMS-GRSHGNNSSA-N 348.786 3.346 30 40 EGEB N#CC1(C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2=O)CCCC1 96423130 KYRLLDWDHDXXPO-CQSZACIVSA-N 345.830 3.036 30 40 EGEB C=CCO[C@H]1CC[C@H]2[C@@H]1OCCN2C(=O)c1cc2ccccc2s1 96041360 VKOLKDAGYDZQQX-MPGHIAIKSA-N 343.448 3.476 30 40 EGEB C[C@@H](/N=C(\O)c1cccc(F)c1)c1cccc(NS(C)(=O)=O)c1 40090009 BXZAKRCMUKGUQI-LLVKDONJSA-N 336.388 3.263 30 40 EGEB CCC[C@H](C)C1(CC)C(=O)NC(=Nc2ccc(Cl)cc2)NC1=O 333826 OVXVZMLCPGYBPM-NSHDSACASA-N 335.835 3.406 30 40 EGEB C[C@@H]1CCc2c(C(=O)[C@@H](C#N)C(=O)Nc3ccccn3)csc2C1 102387398 VCPROIRKSMYFKZ-DGCLKSJQSA-N 339.420 3.229 30 40 EGEB C=CCn1c(SCc2nnnn2-c2ccccc2)nc2ccccc21 9514614 HAGLAPBRTWKXIU-UHFFFAOYSA-N 348.435 3.490 30 40 EGEB Cc1ccsc1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 55294216 MLRZBELZCSFAIE-UHFFFAOYSA-N 339.464 3.276 30 40 EGEB C#CCOc1ccc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)cc1 2128337 RTCRSTKYXZLZAP-LGMDPLHJSA-N 340.448 3.089 30 40 EGEB CCOc1ccc(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)cc1 14198318 GNCUVVSSEQCXSD-HXUWFJFHSA-N 349.434 3.108 30 40 EGEB COc1cc([C@@H](C#N)NC(=O)CC2=CCCCC2)cc(OC)c1OC 71883298 AHPCYVKXOKFMMG-OAHLLOKOSA-N 344.411 3.284 30 40 EGEB Cc1ccc(S(=O)(=O)OC[C@]23CC[C@@](C)([C@@H](O)C2)C3(C)C)cc1 216341866 ZFXRPTRISLWUBJ-SZMVWBNQSA-N 338.469 3.278 30 40 EGEB CCCCCn1c(C#N)cc(N)c1N1CCN(c2ccccc2)CC1 225870215 UHGNHDJPLKMANB-UHFFFAOYSA-N 337.471 3.459 30 40 EGEB CCCSc1nc(N)c(C#N)c(COc2ccccc2OC)n1 223690369 YGCJCWOURAOXSD-UHFFFAOYSA-N 330.413 3.020 30 40 EGEB N#CC1(C(=O)Nc2cc(Br)c3cc[nH]c3n2)CCCC1 585126030 LSKULAUNXZKWPF-UHFFFAOYSA-N 333.189 3.348 30 40 EGEB CNC(=O)Oc1ccc(/C=N/Sc2cccc([N+](=O)[O-])c2)cc1 17062372 DLYRMMZRGHRPIW-LICLKQGHSA-N 331.353 3.439 30 40 EGEB CN(Cc1noc(-c2ccsc2)n1)Cc1cc(C#N)ccc1F 30972842 DROSLPBVIUAUSV-UHFFFAOYSA-N 328.372 3.441 30 40 EGEB C[C@@H]1CCc2c(sc(NC(=O)CSc3ncccn3)c2C#N)C1 77244 WLAOQTKHMAJDDK-SNVBAGLBSA-N 344.465 3.265 30 40 EGEB CCOC(=O)[C@@H](C#N)[C@H](Cc1ccccc1)c1ccc2c(c1)OCO2 169030 SHOOUTRHZYZRBO-SJORKVTESA-N 337.375 3.444 30 40 EGEB COc1cc(/C=N\Nc2nccs2)cc(Br)c1O 31854305 HZZZMYNJCUUSPE-NSIKDUERSA-N 328.191 3.066 30 40 EGEB N#CC1(C#N)[C@H](c2ccccc2)O[C@@]23CCCC[C@@H]2[C@@]1(C#N)C(=N)O3 102714798 WZLSMMJVGMRTON-LVFSCSRESA-N 332.363 3.195 30 40 EGEB COc1cccc(N2CCN(Cc3cc(C#N)ccc3F)CC2)c1 53944544 ZSPHWMHJSKLTLQ-UHFFFAOYSA-N 325.387 3.028 30 40 EGEB Cc1c(NCC(=O)N[C@](C)(C#N)C(C)C)cccc1OC(F)F 69419696 MCQSFRVDPQUDKL-MRXNPFEDSA-N 325.359 3.063 30 40 EGEB N#Cc1ccc(NC(=O)CCN2CC=C(c3ccc(O)cc3)CC2)cc1 12821159 SXWZFINQIUBWBO-UHFFFAOYSA-N 347.418 3.382 30 40 EGEB C=CCN(Cc1cccs1)C(=O)c1sc(-c2nc[nH]n2)nc1C 69558005 XFSSPHKRCODLON-UHFFFAOYSA-N 345.453 3.127 30 40 EGEB CCOC(=O)c1sc(N)c(C#N)c1CN(C)Cc1cccc(F)c1 7791447 HJWCVCJBTWORII-UHFFFAOYSA-N 347.415 3.150 30 40 EGEB C#CCOc1ccc(NC(=O)N[C@@H](CCCO)c2ccccc2)cc1 72294244 QGIGYAHZOMVAFU-IBGZPJMESA-N 338.407 3.334 30 40 EGEB CSc1nc(O)c(C(=O)NCC2(CC(C)C)CCC2)cc1C#N 84510061 PPRVZRATKWHNCQ-UHFFFAOYSA-N 333.457 3.327 30 40 EGEB CCOC(=O)c1ccc(CNC(=O)C2(c3cccc(C#N)c3)CC2)cc1 95972190 IXCJZZMVSKKCHS-UHFFFAOYSA-N 348.402 3.083 30 40 EGEB N#CCCN(C(=O)CNc1ccc(F)c(C#N)c1)c1ccccc1F 95965861 RHAPOUNQFNRXSD-UHFFFAOYSA-N 340.333 3.195 30 40 EGEB O=C1C(=Cc2ccc(N3CCOCC3)c(F)c2)C(=O)c2ccccc21 66255670 RFIMVTILTFRQRY-UHFFFAOYSA-N 337.350 3.125 30 40 EGEB CCCCC1(CCCC)C(=O)NC(=Nc2ccc(OC)cc2)NC1=O 5764797 QMNAPMZQJWHXRZ-UHFFFAOYSA-N 345.443 3.296 30 40 EGEB biogenic N#Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 43739597 PUOLNYHVPQFJDK-ZDUSSCGKSA-N 339.782 3.203 30 40 EGEB Cc1ccc2c(c1)CC[C@H](C(=O)N1C[C@@H](C#N)[C@H](c3ccccc3)C1)O2 329489176 SATFCQZWDISWTO-SVFBPWRDSA-N 346.430 3.454 30 40 EGEB COc1ccc(/C=C2/Cc3cc(OC)c(OC)cc3C2=O)cc1O 85875077 CZANROICBWKETJ-MLPAPPSSSA-N 326.348 3.240 30 40 EGEB biogenic COCCN(C(=O)c1ccc(C)c(C(C)=O)c1)c1ccc(C#N)cc1 193159737 QIINDKIXHJQDHS-UHFFFAOYSA-N 336.391 3.363 30 40 EGEB C=CCSc1nnc(NS(=O)(=O)c2cc(C)ccc2C)s1 225863499 COKBIJKKZVJJSA-UHFFFAOYSA-N 341.483 3.234 30 40 EGEB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OC(C)=O)cc1C#N 225803126 OHESXUOZPFFHEV-GOSISDBHSA-N 332.400 3.407 30 40 EGEB C[C@H](C/C(O)=N/S(=O)(=O)c1cccc2cnccc12)n1cccc1 96409065 CIUMRNRLODWDER-CYBMUJFWSA-N 343.408 3.333 30 40 EGEB C=CCN/C(S)=C(/C(=O)c1ccc(Cl)cc1)[n+]1ccccc1 4390993 OXFDAZDBXAHWBY-UHFFFAOYSA-O 331.848 3.342 30 40 EGEB CC(C)(C)c1ccc(/C(=N\O)N[C@@H](O)C(Cl)(Cl)Cl)cc1 4280845 HDLUQWIUNMLYAN-NSHDSACASA-N 339.650 3.398 30 40 EGEB Cc1cc(C)c(C#N)c(N2CCC[C@@H](N(C)C(=O)C(C)(C)C)C2)n1 2087130856 OBCDAVCGXOURIF-OAHLLOKOSA-N 328.460 3.043 30 40 EGEB COc1cc(/C=C/C(=O)c2ccc(C(=O)O)s2)cc(OC)c1O 7333315 BXQFANQLAZKTQS-ONEGZZNKSA-N 334.349 3.065 30 40 EGEB CN(Cc1cccc(C#N)c1)C(=O)CCCc1ccc2c(c1)CC(=O)N2 69812440 INIFODUACKNHDP-UHFFFAOYSA-N 347.418 3.034 30 40 EGEB N#Cc1nc(Cc2ccccc2)oc1N1CCN(c2ccccc2)CC1 539685 DBZJZMNGDWRLGR-UHFFFAOYSA-N 344.418 3.464 30 40 EGEB COc1ccc(N2CCN(c3snc(Cl)c3C#N)CC2)cc1 47405331 STANCMFLVJQAMT-UHFFFAOYSA-N 334.832 3.003 30 40 EGEB N#CCN(C(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1)C1CC1 68230749 QZKQCVRVIKGWID-CYBMUJFWSA-N 340.452 3.027 30 40 EGEB C[C@H](c1nc2ccccc2s1)N1CCN(c2ncccc2C#N)CC1 26759108 MOVHVERATAQDLH-CQSZACIVSA-N 349.463 3.446 30 40 EGEB CN(C(=O)CCc1nc(-c2ccc(Cl)cc2)no1)C1(C#N)CCC1 58393925 YUNFIMUNCIKVKC-UHFFFAOYSA-N 344.802 3.227 30 40 EGEB COc1ccc(C(=O)/C=C/c2ccc3c(c2)OCCO3)cc1OC 4380777 UDJBNWRDAPTBBV-ZZXKWVIFSA-N 326.348 3.371 30 40 EGEB CCOc1ccc(OCCO/N=C/c2ccc(NC(C)=O)cc2)cc1 14355331 NJROFZCYCCHPOH-XSFVSMFZSA-N 342.395 3.473 30 40 EGEB C=CCO[C@H](C)C(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 69737998 MZPXWNGGGMQQAV-ZBFHGGJFSA-N 341.411 3.381 30 40 EGEB N#Cc1ccccc1/C=C/C(=O)NCc1ccc(-n2ccnc2)c(F)c1 67523418 MDNXSLDXJBERHY-SOFGYWHQSA-N 346.365 3.213 30 40 EGEB N#CC1(NC(=O)c2cc(C3CC3)nc3ccc(F)cc23)CCOCC1 76066287 SIWQUBFMRYUQLX-UHFFFAOYSA-N 339.370 3.054 30 40 EGEB Cc1nc([C@@H]2CCCCCN2C(=O)Nc2cccc(C#N)c2)no1 95999054 SROMVBKGWIEGLN-HNNXBMFYSA-N 325.372 3.399 30 40 EGEB O=C(COc1ccc(/C=N/O)cc1Br)Nc1ccccc1 409043540 RQTRKVBGZSCHME-RQZCQDPDSA-N 349.184 3.275 30 40 EGEB C/N=C(/O)CCCCC(=O)N=c1cc(-c2cc(C)ccc2F)[nH][nH]1 330031880 FJHUJINULLIIKV-UHFFFAOYSA-N 332.379 3.031 30 40 EGEB N#Cc1nccc(N2CCC3(CCN(Cc4ccccc4)CC3)CC2)n1 585137525 CVHZGPBZHXSONA-UHFFFAOYSA-N 347.466 3.231 30 40 EGEB CCn1c(CN(C)C(=O)NCC#Cc2ccccc2)nc2ccccc21 65988553 XBPRNIAGTFVREW-UHFFFAOYSA-N 346.434 3.249 30 40 EGEB C[C@@H](NC(=O)Nc1cccc([C@H]2CCC(=O)N2)c1)c1cccc(C#N)c1 591348740 PRZWAMHXWOCREB-FZKQIMNGSA-N 348.406 3.392 30 40 EGEB CCOc1ccc(-c2c(C#N)c(N)nc(SCC#N)c2C#N)cc1 20011033 YQEYVQLMNPZHIZ-UHFFFAOYSA-N 335.392 3.089 30 40 EGEB C[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)c1ccc(C#N)cc1 47051810 UFQURCAKKUALNR-MRXNPFEDSA-N 334.423 3.151 30 40 EGEB CC(C)(C)c1cc(NC(=O)c2ccc(C#N)cc2)n(-c2ncccn2)n1 65513607 RKXCHIHJFJBASM-UHFFFAOYSA-N 346.394 3.084 30 40 EGEB CO/N=C(\CSc1ccccc1OC)c1sc2ncnn2c1C 5721879 FPUYDHUZOKIZNU-WOJGMQOQSA-N 348.453 3.251 30 40 EGEB N#Cc1ccccc1Cn1nnc(-c2ccccc2Br)n1 15553085 ZKGKGTXKNGMLFA-UHFFFAOYSA-N 340.184 3.023 30 40 EGEB CCOc1ncccc1C(=O)NCCSCc1ccccc1C#N 9054601 BSLVYQKLBQQXJP-UHFFFAOYSA-N 341.436 3.015 30 40 EGEB O=C(O)COc1ccc(/C=N/c2cccc(C(=O)O)c2)cc1Cl 408845216 LONCCOKRVZGZPD-QGMBQPNBSA-N 333.727 3.252 30 40 EGEB C#CCOc1c(Cl)cc(/C=C2\SC(=O)N(C)C2=O)cc1OC 408812156 NWPBEFCXIGOBQA-WQLSENKSSA-N 337.784 3.027 30 40 EGEB Cc1cccc(N2CCO[C@@H]2c2cn(Cc3ccccc3C#N)nn2)c1 216759587 OSVKITUIFPQNHY-HXUWFJFHSA-N 345.406 3.042 30 40 EGEB COc1cccc(-c2nc(C#N)c(NCCN3CCCCC3)o2)c1 96346176 XIAAXLSQNWGJPS-UHFFFAOYSA-N 326.400 3.120 30 40 EGEB OC(C(F)(F)C(F)F)(C(F)(F)C(F)F)C(F)(F)C(F)F 97965992 AWYCUPHHPVVXAY-UHFFFAOYSA-N 332.084 3.419 30 40 EGEB C=CCNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCOCC1 257338459 YXMKMQWOOOZLCI-UHFFFAOYSA-N 336.435 3.390 30 40 EGEB CCn1cc(NC(=O)c2occc2COc2cccc(C#N)c2)cn1 69567344 VNJLGDFBELZENJ-UHFFFAOYSA-N 336.351 3.199 30 40 EGEB N#Cc1cccc(N2CCC[C@@H](COc3ncccc3Cl)C2)n1 2298188652 RMBXGHWXKXPGEO-CYBMUJFWSA-N 328.803 3.297 30 40 EGEB CC(=O)NCc1ccc(C(=O)[C@H](C#N)C(=O)c2cccc(C)c2C)cc1 100779564 FGUKZZVIVWKVLS-IBGZPJMESA-N 348.402 3.145 30 40 EGEB C=CCn1c(=O)n2nc(-c3ccco3)nc2c2c(CC)c(C)sc21 32100627 CRJWQYUCOSEPMR-UHFFFAOYSA-N 340.408 3.423 30 40 EGEB CC1=NN(c2ccccc2)C(=O)[C@]12[C@@H](c1ccccc1)C2(C#N)C#N 8653071 FHDQRKRZCSVIJW-FXAWDEMLSA-N 326.359 3.226 30 40 EGEB C/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1C(=O)O 12350393 LJCWUQULJLHRBQ-CXUHLZMHSA-N 344.283 3.037 30 40 EGEB CCOC(=O)/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(C)=O 3066863 GHRJGSOEZDGWOV-XNTDXEJSSA-N 329.308 3.390 30 40 EGEB CCN(CC)CC1CCN(C(=O)/C=C/c2ccc(C#N)cc2)CC1 58294589 ZAWUNILKAQOGAY-MDZDMXLPSA-N 325.456 3.152 30 40 EGEB N#Cc1cc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)ccc1Cl 58530938 WSXOGMKBRBKZJE-CYBMUJFWSA-N 325.755 3.276 30 40 EGEB Cc1c(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)oc2c1C(=O)CCC2 48813662 ULPVDJHQCUZNSF-NSHDSACASA-N 333.347 3.473 30 40 EGEB CN(C(=O)CCc1ccc(Br)cc1F)C1(C#N)CCC1 49464244 LPWPQPUXEWZRCZ-UHFFFAOYSA-N 339.208 3.425 30 40 EGEB O=C1/C(=N\O)c2ccccc2N1CCCOc1ccccc1Cl 39853898 IGTUTNOTXOYNNK-MNDPQUGUSA-N 330.771 3.334 30 40 EGEB COC(=O)C1=C(C)N(c2ccccc2)/C(=C/c2ccc(O)cc2)C1=O 4703148 OZUGUKPGQGIIOU-SFQUDFHCSA-N 335.359 3.269 30 40 EGEB CCOC(=O)CCC(=O)[C@H](C#N)c1nc(-c2ccc(F)cc2)cs1 6935531 DZDXXXUGNBYKLE-ZDUSSCGKSA-N 346.383 3.469 30 40 EGEB C#Cc1cccc(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)c1 71185879 OHKXDBDRUXFBOV-UHFFFAOYSA-N 345.402 3.333 30 40 EGEB C=CCOc1ccc(CN[C@@H]2CCN(C(C)=O)C[C@H]2C)cc1Cl 89937467 CFTRNCPSBWIOAV-CXAGYDPISA-N 336.863 3.251 30 40 EGEB CCCNc1ccc(C#N)cc1NC(=O)c1ccc(C(=O)OC)s1 76042076 NWCJEJASGDBOHB-UHFFFAOYSA-N 343.408 3.481 30 40 EGEB C=CCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccccc1 22614218 UQZYOTRKWBMWIP-GOSISDBHSA-N 338.407 3.399 30 40 EGEB CCOc1ncc(C(=O)[C@H](C#N)c2nc(C)cc(C)n2)cc1Cl 79029117 MSKSPQBXXZCLQX-LBPRGKRZSA-N 330.775 3.031 30 40 EGEB C[C@@]1(/C(O)=N/S(=O)(=O)c2cccnc2)CCCc2ccccc21 78979036 RNASDMMIPZEINN-QGZVFWFLSA-N 330.409 3.021 30 40 EGEB COc1ccccc1N1CCN([C@@H]2CCC=CCC/C2=N\O)CC1 18098909 QBYOEGFVMIBQSJ-VJDNICFLSA-N 329.444 3.146 30 40 EGEB Cc1cc(N/N=C/c2ccccc2OCC(=O)O)nc2ccccc12 19325945 KMJWDIXZHGEXGX-RGVLZGJSSA-N 335.363 3.453 30 40 EGEB CC(=O)n1nc2c(c1CC(C)C)C(=O)C(Nc1ccccc1)=CC2=O 1866246 CAWXBTPJXJMZFY-UHFFFAOYSA-N 337.379 3.117 30 40 EGEB N#CCc1ccc(OC[C@H](O)CN2CCC[C@@H]2c2ccsc2)cc1 46089060 NJIYNNWZBCJOOY-IEBWSBKVSA-N 342.464 3.391 30 40 EGEB O=[N+]([O-])c1cccnc1N/N=C(/C=C(\O)C(F)(F)F)C(F)(F)F 100912945 ZKBGZIMZOMTREY-IMSWQSDUSA-N 344.171 3.324 30 40 EGEB N/C(=N\OCC(=O)Nc1ccc2ccccc2c1)c1ccsc1 50516649 PJDJJDCPGMZMJX-UHFFFAOYSA-N 325.393 3.177 30 40 EGEB Cc1noc(-c2ccc(C(=O)OCc3cc(C#N)ccc3F)cc2)n1 22977935 SNTQNBJWDZFXAQ-UHFFFAOYSA-N 337.310 3.413 30 40 EGEB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N/Nc1ccc([N+](=O)[O-])cc1 408741816 SCCYAVDLHFKDIJ-YCPFAOKUSA-N 337.339 3.031 30 40 EGEB CCOc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)ccc1OCC#N 408909741 IIHKBZBINTZWMU-UNOMPAQXSA-N 340.339 3.342 30 40 EGEB C/N=C(/NC[C@@H](c1ccc(OC)cc1)N1CCCC1)c1ccco1 71843637 MSTMCMKANNHNLI-KRWDZBQOSA-N 327.428 3.091 30 40 EGEB Cc1ccc(S(=O)(=O)/N=C(\O)CCC(F)(F)F)cc1N(C)C 84185461 GWDSNHLNMLOJBE-UHFFFAOYSA-N 338.351 3.049 30 40 EGEB CC(C)c1ccc(Cc2nnc(/N=C(\O)C3=COCCO3)o2)cc1 36657671 IUUFLBNLDDCYTK-UHFFFAOYSA-N 329.356 3.260 30 40 EGEB N#Cc1cccc(N[C@H]2CO[C@@]3(CCN(Cc4cccs4)C3)C2)c1 96218893 YFDZYOXDQRGQLV-MJGOQNOKSA-N 339.464 3.465 30 40 EGEB Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1cc(C#N)oc1C 252483220 DXNYIEKPUQWIBQ-IEBWSBKVSA-N 335.407 3.216 30 40 EGEB N#Cc1ccc(N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)nc1 36798274 UDEDCJZDGYFINA-UHFFFAOYSA-N 347.344 3.084 30 40 EGEB CCc1cccc(CC)c1NC(=O)CO/N=C(\N)c1cccs1 50512788 GDDWTPAVKFMNKA-UHFFFAOYSA-N 331.441 3.149 30 40 EGEB C[C@]1([N+](=O)[O-])C(=O)[C@@]2(N3CCCCC3)CCC[C@H]2[C@@H]1c1ccccc1 1608390 VGFYHNWVCSUSBB-RAUXBKROSA-N 342.439 3.413 30 40 EGEB N#Cc1c(-c2ccccc2F)cc(C2CC2)nc1SCC(N)=O 495669 QMFNPNGWOTVACP-UHFFFAOYSA-N 327.384 3.214 30 40 EGEB C=C1[C@@H](C(=O)Nc2ccc(F)cc2)[C@@H]1C(=O)Nc1ccc(F)cc1 1012198 KGZKFWUCNXIMMX-HZPDHXFCSA-N 328.318 3.344 30 40 EGEB O=S(=O)(/N=C\c1cc(Br)ccc1O)c1cccs1 102962052 RLJPAGCXRRUBGH-QPEQYQDCSA-N 346.227 3.024 30 40 EGEB CN(C)c1ccc(/C=N/c2ccc(NC(=O)CCC(=O)O)cc2)cc1 1462751 URCSJCNMZIKBIG-DEDYPNTBSA-N 339.395 3.307 30 40 EGEB COc1cccc(NC(=O)[C@]2(C#N)Cc3ccccc3N3CCC[C@@H]32)c1 6320165 ZNKAYEUCVTXDGU-CTNGQTDRSA-N 347.418 3.369 30 40 EGEB Cc1ccccc1[C@@H]1CCCN1c1ncnc2c1cnn2CCC#N 65519852 UUHIFWZAPBGOLO-KRWDZBQOSA-N 332.411 3.390 30 40 EGEB C=C(Cl)CN(C(=O)[C@@H]1CCN(C)C(=O)C1)[C@H]1CCc2ccccc21 69900735 GCQPPKHHPZIFTF-WBVHZDCISA-N 346.858 3.123 30 40 EGEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@@H](C(F)(F)F)C1 18233217 AHTOAIRIWYTYDI-DGCLKSJQSA-N 326.318 3.126 30 40 EGEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N(CC(F)(F)F)c1ccccn1 71853679 JZALBFFNUZGKAX-LBPRGKRZSA-N 349.312 3.316 30 40 EGEB C[C@H](CCc1ccccc1F)/C(O)=N/S(=O)(=O)c1cccnc1 76761285 BABAGIJEVMEMPU-GFCCVEGCSA-N 336.388 3.135 30 40 EGEB CCCOC1(C(=O)Nc2ccc(OC(C)=O)cc2C#N)CCCC1 225850907 RKQQXSBNMFTYIJ-UHFFFAOYSA-N 330.384 3.161 30 40 EGEB CS(=O)(=O)OCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F 1083812599 WTULMDQSGGPUID-UHFFFAOYSA-N 342.179 3.026 30 40 EGEB Cc1ccc([C@@H]2CCCN2C[C@@H](O)CC2(C#N)CCOCC2)cc1 599247754 FLXRISYLCZDHIG-OALUTQOASA-N 328.456 3.203 30 40 EGEB N#CCN1/C(=C2/N=C(c3ccccc3)OC2=O)Sc2ccccc21 32508921 ZYNOHHLXJBLCDB-ICFOKQHNSA-N 333.372 3.295 30 40 EGEB CC(=O)/C(=N\Nc1cccc(C(F)(F)F)c1)C(=O)C(F)(F)F 4712282 MNMFLJKIVKXFIW-AWQFTUOYSA-N 326.196 3.194 30 40 EGEB Cc1nnc(NCc2ccc(N3CCCCCC3)nc2)c(C#N)c1C 52334440 LIXWVRPBQGWXGX-UHFFFAOYSA-N 336.443 3.353 30 40 EGEB COc1ccc(-c2[nH]c3nc4ccccc4n3c(=O)c2CCC#N)cc1 9926748 IPDKFQPSPRACDF-UHFFFAOYSA-N 344.374 3.308 30 40 EGEB O=[N+]([O-])c1ccc(N/N=C2\[C@H]3[C@H]4C[C@@H]5[C@H]6[C@H](C[C@H]53)[C@@H]2[C@@H]64)c([N+](=O)[O-])c1 103444410 KSEOYFBWVDHLNF-MQYKBYMBSA-N 340.339 3.049 30 40 EGEB COCCOc1ccc(C(=O)/C=C/c2ccc(C(=O)O)cc2)cc1 44027719 IROWXPBVJCKFGQ-NYYWCZLTSA-N 326.348 3.306 30 40 EGEB N#Cc1ccc(Cl)cc1NC(=O)COc1ncnc2ccccc12 3266193 XQTYTMLSTPASHF-UHFFFAOYSA-N 338.754 3.172 30 40 EGEB COc1ccc([C@H]2CCCN2C(=O)COc2ccc(C#N)cc2)cc1 9112991 HXCFGSSYUWEZHD-LJQANCHMSA-N 336.391 3.309 30 40 EGEB O=C(O)c1cc(N/N=C/c2ccc3c(c2)OCCO3)ccc1Cl 7141191 YRBRYHZSBAQCLX-GIJQJNRQSA-N 332.743 3.255 30 40 EGEB Cc1nn(C)c2nc(C3CC3)cc(C(=O)[C@H](C#N)c3ccc(F)cn3)c12 97039096 SPCWIXCJOOJYBY-CQSZACIVSA-N 349.369 3.178 30 40 EGEB NC(=O)Cc1cccc(OCC#Cc2ccc(C(F)(F)F)cc2)c1 85261618 OYBLSZFYPGFWKI-UHFFFAOYSA-N 333.309 3.164 30 40 EGEB CC[C@H](C)n1ncc(N=C(O)N2CCC(Cn3cccn3)CC2)c1C 330125386 LXXDJPYSPPMHNU-AWEZNQCLSA-N 344.463 3.317 30 40 EGEB Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)c3ccc(C#N)cn3)cc2)n1 96449744 XSKISQYVNFYVGJ-HNNXBMFYSA-N 345.406 3.247 30 40 EGEB CCc1cc(SCC(=O)N(C)C)n2c(nc3ccccc32)c1C#N 5312163 NKKZRUISBFVPCW-UHFFFAOYSA-N 338.436 3.102 30 40 EGEB N#C[C@H](C(=O)C(=O)Nc1nccs1)c1c(Cl)cccc1Cl 5713311 POWFWIZRYXMLTD-ZETCQYMHSA-N 340.191 3.265 30 40 EGEB CCOC(=O)c1ccc(N/C=C/C(=O)c2ccc3c(c2)OCO3)cc1 5796446 WCRNJFBMDPWTAY-MDZDMXLPSA-N 339.347 3.401 30 40 EGEB C[C@H](Oc1ccc(C#N)cc1)C(=O)NCCc1c[nH]c2ccccc12 17295347 HMBPIVUDAWWHIZ-AWEZNQCLSA-N 333.391 3.166 30 40 EGEB CCOC(=O)c1sc(NC(=O)c2ccccc2F)c(C#N)c1C 113646 BNFANLLLKREMQD-UHFFFAOYSA-N 332.356 3.496 30 40 EGEB CCCCCCCCCCCCNC(=O)C(=O)NC[C@@H]1CCCO1 100999140 GDBJWFIVPLAFFR-KRWDZBQOSA-N 340.508 3.319 30 40 EGEB C=CCN1C(=S)N(/N=C/c2ccccc2)C(=O)[C@@H]1c1ccccc1 35681858 XCHFOPZBCBBGGF-TYSUYXETSA-N 335.432 3.377 30 40 EGEB Cc1cc(C)cc(CN2C(=O)N[C@@](C)(c3ccc(C#N)cc3)C2=O)c1 12783033 HKEQFKXGYOCDNU-FQEVSTJZSA-N 333.391 3.142 30 40 EGEB CN(C(=O)COC(=O)c1c[nH]c2ccccc12)C1(C#N)CCCCC1 6115155 NRXLQJWFCJYNSW-UHFFFAOYSA-N 339.395 3.010 30 40 EGEB Cc1ccc(C)c(N/N=C2/C(=O)Nc3cc4c(cc32)OCCCO4)c1 17420140 LBMNXAOZCQFIMY-UHFFFAOYSA-N 337.379 3.233 30 40 EGEB CCCC(=O)Nc1ccc(C/N=C(/N)NCCc2cccs2)cc1 69808942 YNNXTKLUYQEBEF-UHFFFAOYSA-N 344.484 3.134 30 40 EGEB CC(C)OCCCn1c(N)c(C#N)c2c(c1=S)COC(C)(C)C2 9183854 SKUGOFVTSPFYDO-UHFFFAOYSA-N 335.473 3.338 30 40 EGEB O=[N+]([O-])c1ccc(N/N=C\c2cc(Cl)c(O)c(Cl)c2)nc1 408749827 JCYSAKVIHYCPTM-BNCCVWRVSA-N 327.127 3.448 30 40 EGEB N#Cc1cnn(-c2ccccc2)c1NC(=O)CSCc1ccco1 72292139 PBBXHSLAFWXDLI-UHFFFAOYSA-N 338.392 3.209 30 40 EGEB CC1(C)OB(c2cccc(C(=O)OCc3ccccc3)c2)OC1(C)C 170020124 NFOUTNGHWQTMQA-UHFFFAOYSA-N 338.212 3.343 30 40 EGEB CCS[C@@H]1CCC[C@@H](N/C(=N\C)NCCc2c(C)noc2C)C1 97227541 FPMJKXGGJZJTFI-HUUCEWRRSA-N 338.521 3.063 30 40 EGEB C=C(C)CN1CCC(NC(=O)N(C)[C@@H]2CC[C@H](SCC)C2)CC1 96462922 QISPKAQQRGWRDI-SJORKVTESA-N 339.549 3.343 30 40 EGEB Fc1ccc(N/N=C/Cc2nnnn2-c2ccc(Cl)cc2)cc1 5769611 UHVBXIXKNYVKRZ-VCHYOVAHSA-N 330.754 3.095 30 40 EGEB CC(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 35067 DUISCRIIYHFMHZ-INIZCTEOSA-N 329.302 3.454 30 40 EGEB C=CCOC[C@@]12CCCO[C@@H]1CCN(Cc1ccc(OC)cc1)C2 107751856 WSIXJTYGUKJGEB-UXHICEINSA-N 331.456 3.269 30 40 EGEB N#Cc1cccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 32819567 NCAICRXNVQTDSJ-KRWDZBQOSA-N 334.375 3.307 30 40 EGEB N#C[C@](CO)(Cc1ccc(OC(F)F)cc1)c1nc2ccccc2[nH]1 550208 NGTNZHVIXMUAJC-SFHVURJKSA-N 343.333 3.161 30 40 EGEB Cc1ccc(-c2cc(C(=O)OCCOc3ccc(C#N)cc3)[nH]n2)cc1 12110422 HFRFCGBHAUREGY-UHFFFAOYSA-N 347.374 3.493 30 40 EGEB N#CC1(C#N)[C@H](c2ccccc2)O[C@@]23CCCC[C@H]2[C@@]1(C#N)C(=N)O3 104002698 WZLSMMJVGMRTON-STEAMIEHSA-N 332.363 3.195 30 40 EGEB CC(C)n1cc(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)cn1 58244902 CRSTULRXQPAHEI-VMPITWQZSA-N 325.412 3.197 30 40 EGEB C[C@H](Nc1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1cccc(C#N)c1 10769459 BAKFPNCLNFLQNT-ZDUSSCGKSA-N 348.406 3.346 30 40 EGEB N#CCSCC(=O)NC1(c2cccc(Br)c2)CCC1 48809807 ZINJESFTMXMYGZ-UHFFFAOYSA-N 339.258 3.201 30 40 EGEB N#CC1(NC(=O)CN(Cc2ccccc2O)C2CCCC2)CCCC1 69745019 IZEHAMFKIHMXFW-UHFFFAOYSA-N 341.455 3.089 30 40 EGEB COc1cc(C(C)=O)ccc1OC(=O)[C@@H](C)Oc1ccc(C#N)cc1 14789128 WHAQKIODANWYML-CYBMUJFWSA-N 339.347 3.142 30 40 EGEB C[C@@H](Oc1cccc(C#N)c1)C(=O)N1CCC[C@H](C(F)(F)F)C1 71825459 CGYIVJMPTQKYGQ-YPMHNXCESA-N 326.318 3.126 30 40 EGEB CC(=O)Nc1cccc(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)c1 19677642 VTKJPBPCVZGMNX-UHFFFAOYSA-N 348.362 3.461 30 40 EGEB N#CCc1ccc(NC(=O)[C@H]2CC(c3c(F)cccc3F)=NO2)cc1 72288298 KGQUWRCOWRCLBA-MRXNPFEDSA-N 341.317 3.163 30 40 EGEB CC[C@H](CC#N)NC(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 97141417 XDCMZMSCHRAJOJ-SNVBAGLBSA-N 334.807 3.046 30 40 EGEB C=CCOc1ccc(N(C)S(=O)(=O)c2ccc(OCC)cc2)cc1 224607741 WGCWWBPWDPYTPA-UHFFFAOYSA-N 347.436 3.475 30 40 EGEB C#CCOC(=O)/C=C/c1ccc(-c2cc([N+](=O)[O-])ccc2OC)o1 226257239 PUILYIIYLWMCKU-RMKNXTFCSA-N 327.292 3.053 30 40 EGEB C=CCN1C(=O)CCC[C@@]12CCCN(C(=O)c1cc(C)cc(C)c1)C2 96229899 JKRFDHMAEBGZNP-NRFANRHFSA-N 340.467 3.477 30 40 EGEB CCCCS[C@@H](C)C(=O)Nc1c(C#N)nnn1Cc1ccccc1 585125429 RXGAHUWKCIVPLX-ZDUSSCGKSA-N 343.456 3.058 30 40 EGEB Oc1ccc(/C=N/c2ccc(I)cc2)c(O)c1 64984 IBLSHDLGWOTEMS-OVCLIPMQSA-N 339.132 3.453 30 40 EGEB O=C1Nc2ccccc2/C1=N\N=C/c1cc(Cl)cc(Cl)c1O 12366699 COMKYRMEPIKBDA-WSVATBPTSA-N 334.162 3.474 30 40 EGEB N#Cc1ccc(C(=O)NC[C@@H](c2ccsc2)N2CCCC2)cc1 8862585 UJDSKWFUEMWRRT-KRWDZBQOSA-N 325.437 3.187 30 40 EGEB C=CCOCc1ccc(C(=O)Nc2ccccc2C(=O)OC)cc1 18173731 GGNANKYTFSDUNB-UHFFFAOYSA-N 325.364 3.428 30 40 EGEB CC(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1F 82741 HVCJIYUJGLOKAU-INIZCTEOSA-N 329.302 3.454 30 40 EGEB Cc1cc(C)c(C#N)c(S[C@H](C)c2nnnn2-c2ccccc2)n1 40123077 NJOIWXNXCCFSNA-CYBMUJFWSA-N 336.424 3.399 30 40 EGEB Cc1ccc2nc(SCC(=O)NCc3ccco3)c(C#N)cc2c1 422242 DSWJAENLAWQJFP-UHFFFAOYSA-N 337.404 3.416 30 40 EGEB aggregator CC(C)c1n[nH]c(C(=O)Nc2cccc(C#N)c2)c1Br 69970651 QASKHACXPVNFTE-UHFFFAOYSA-N 333.189 3.420 30 40 EGEB COc1cc(C#N)ccc1O[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 12253012 NZESBWDSDIXKKD-GOSISDBHSA-N 340.354 3.105 30 40 EGEB C=C(C)[C@@H]1CC=C(COC(=O)c2ccc(CS(C)(=O)=O)o2)CC1 80408084 CEYZPVIXAIWWDG-CQSZACIVSA-N 338.425 3.284 30 40 EGEB C=CCCO[C@H](C)C(=O)NCCCc1cn(-c2ccccc2)nc1C 58316153 ZLVDRQZYEIRVCA-QGZVFWFLSA-N 341.455 3.211 30 40 EGEB CC(C)N(Cc1ccc(C#N)cc1)Cn1ncc2ccccc2c1=O 63729651 HQLBGCYPDOOWFN-UHFFFAOYSA-N 332.407 3.136 30 40 EGEB COc1ccc(/C=N/Nc2ncnc3sc(C)c(C)c23)cc1O 5166272 SEXOAUNDZIJSAT-FBCYGCLPSA-N 328.397 3.468 30 40 EGEB C#CCN(Cc1ccco1)C(=O)N[C@H]1CCCOc2ccc(F)cc21 72276940 GQJXJXRVGWMVNE-KRWDZBQOSA-N 342.370 3.477 30 40 EGEB C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@@H](C)n2cncn2)c1 79040477 DEZPXDPPFBIXAL-MRXNPFEDSA-N 330.391 3.054 30 40 EGEB Cc1ccccc1OCCN1C(=O)/C(=N\O)c2ccc(Cl)cc21 46084659 PFTCGSABXMHOBJ-MNDPQUGUSA-N 330.771 3.252 30 40 EGEB COc1ccc(CNC(=O)C2(C#N)CCC2)c(OC2CCCC2)c1 81403283 BGKXUJMQCWVOSZ-UHFFFAOYSA-N 328.412 3.327 30 40 EGEB Cc1cc(C)cc([C@H](O)C/N=C(/O)Nc2ccc([S@@](C)=O)cc2)c1 330032711 RKGZVBWMZPYAIH-MZNJEOGPSA-N 346.452 3.100 30 40 EGEB C=CCO[C@H]1CC[C@H]2[C@@H]1OCCN2C(=O)c1csc2ccccc12 96065703 LETBNJMSWMJEOC-BQFCYCMXSA-N 343.448 3.476 30 40 EGEB C=C(C)COc1ccc([C@H]2CC(=O)Oc3cc(C)[nH]c(=O)c32)cc1 96114655 JUQAPPIQTQKQII-OAHLLOKOSA-N 325.364 3.079 30 40 EGEB biogenic COc1cccc2ncnc(N3CCC[C@](C#N)(c4ccccn4)C3)c12 606444976 RSTDWHPPQXWERO-HXUWFJFHSA-N 345.406 3.095 30 40 EGEB C[C@H](NCC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(C#N)cc1 611381777 MMJZAOYSRVEDEG-OSONQDNFSA-N 337.467 3.294 30 40 EGEB CC1(C)OB(c2ccc3c(c2)CN(C2CCCCC2)C3=O)OC1(C)C 1083805640 FJIGMUNRDYRUIW-UHFFFAOYSA-N 341.260 3.274 30 40 EGEB COc1ccc(/C=N/N2CCN(c3ccc(Cl)cc3)CC2)cc1O 298505 ACWQHGALMWELFB-DEDYPNTBSA-N 345.830 3.210 30 40 EGEB C/C(=N/NC(=S)Nc1nccs1)c1nccc2ccccc12 5518517 AXEADIYGQILAQN-GRSHGNNSSA-N 327.438 3.402 30 40 EGEB Cc1ccc(/N=C2/C(=O)N(CN3CCOCC3)c3ccccc32)cc1C 103733853 JNVHBSWJEJVICB-LSDHQDQOSA-N 349.434 3.061 30 40 EGEB CC(C)(C)C1CCC(C(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)CC1 40040845 JAPOPCBXIKWOHE-MHVYXZCWSA-N 334.460 3.191 30 40 EGEB COc1ccc(CCNc2oc(CC(C)C)nc2C#N)cc1OC 28628013 WANWCBKVFSQWGJ-UHFFFAOYSA-N 329.400 3.417 30 40 EGEB COc1ccc(/C=C/C(=O)c2c(OC)cc(OC)c(OC)c2O)cc1 4691814 MAOWYEHMWILRMH-JXMROGBWSA-N 344.363 3.323 30 40 EGEB C[C@@H](NC(=O)CO/N=C(\N)C1CCCC1)C12CC3CC(CC(C3)C1)C2 32932707 LWVXJZHGWFUSFU-XXWNAHEMSA-N 347.503 3.187 30 40 EGEB Cc1ccc(-n2cnnc2SCC(=O)Nc2cccc(C#N)c2)cc1 24732619 YRYDLULOMLWQMB-UHFFFAOYSA-N 349.419 3.178 30 40 EGEB O=C1NC2(CCCCC2)C(=O)N1/N=C/c1c(O)ccc2ccccc12 3527377 HHZWYJLRBQPCBU-UDWIEESQSA-N 337.379 3.134 30 40 EGEB COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC 5129096 UDHVYWAGOFBWLU-GQCTYLIASA-N 342.347 3.337 30 40 EGEB N#Cc1ccc(/C=C/C(=O)c2c(F)cccc2N2CCOCC2)cc1 75146001 SNQKYZAXEMEDRT-CMDGGOBGSA-N 336.366 3.430 30 40 EGEB CC(C)c1cccc(CN(c2cccc(C#N)c2)S(C)(=O)=O)n1 95451600 UUMNTURCARLLEJ-UHFFFAOYSA-N 329.425 3.043 30 40 EGEB N#Cc1ccc(-c2cccc(CNC(=O)NCc3ccon3)c2)s1 78988093 JQCRQKXJMJYYEB-UHFFFAOYSA-N 338.392 3.274 30 40 EGEB C=CCN(Cc1cccs1)S(=O)(=O)c1sccc1OC 89484121 ZQARDRZHTMWZIB-UHFFFAOYSA-N 329.468 3.195 30 40 EGEB C=CCc1cc(C(=O)NCc2ccc3c(c2)OCO3)ccc1OC 408705236 AAKKHZKLGOPNCO-UHFFFAOYSA-N 325.364 3.082 30 40 EGEB CCOc1ccc(/N=C2/NC(=O)/C(=C\c3cccnc3)S2)cc1 35648046 FKTPWQYNXNWVMA-XNTDXEJSSA-N 325.393 3.372 30 40 EGEB N#Cc1ccc(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)cn1 130230391 GJPQVBQBJWIMMO-UHFFFAOYSA-N 332.329 3.299 30 40 EGEB C=CCN1C(=O)CCC[C@@]12CCCN(C(=O)Nc1ccccc1F)C2 96229946 WYOPBDSPZMTEOT-IBGZPJMESA-N 345.418 3.391 30 40 EGEB Cc1cc(C#N)nc(N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)n1 588008934 JRGSHSSOBYGTFY-LLVKDONJSA-N 331.782 3.140 30 40 EGEB CC1=NC(=N)S/C1=N\NC1=C(C)[C@@H](C)[C@H](c2ccccc2)C1=O 1554503366 GQOASFRDYQRXMK-YWYAJTCNSA-N 326.425 3.309 30 40 EGEB CC/N=C1/S[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1CC 5644874 WUDWLYOHHZXYBW-OPGVCCBYSA-N 339.848 3.008 30 40 EGEB CC(C)(C)c1cn(C2C[C@@H]3CC[C@H](C2)N3c2cccc(C#N)n2)nn1 1888834047 WBBVPZDPPIVCCY-XYPWUTKMSA-N 336.443 3.215 30 40 EGEB N#Cc1cccc(C(=O)N2CC[C@@H](Oc3cccc4cccnc34)C2)c1 245026705 NHSMQVSSKCIYHA-GOSISDBHSA-N 343.386 3.400 30 40 EGEB COc1ccc(N2CC(=O)C(c3nc4ccccc4s3)=C2N)cc1 132155 BJECUPMXYARYIK-UHFFFAOYSA-N 337.404 3.022 30 40 EGEB CC(C)(NCc1cc(C#N)ccc1F)c1ccc2c(c1)OCCO2 69442994 OPIKLPXYSSYGOG-UHFFFAOYSA-N 326.371 3.493 30 40 EGEB O=[N+]([O-])c1ccc2c(/C=N/Nc3ccccc3[N+](=O)[O-])c[nH]c2c1 6549779 QKERXDUKAKIMPR-RQZCQDPDSA-N 325.284 3.430 30 40 EGEB COc1cccc(/C=N/N2C(=O)c3ccccc3C2=O)c1OC(C)C 559069 INNRBXRJIOKGSL-RGVLZGJSSA-N 338.363 3.113 30 40 EGEB C=CCc1cc(C(=O)N[C@H](C)c2ccncc2)cc(OC)c1OC 22622149 SYZMPZVKQSBARG-CYBMUJFWSA-N 326.396 3.318 30 40 EGEB COc1cc2c(cc1OC)[C@@H]1C/C(=N\O)[C@H](CC(C)C)CN1CC2 12401410 APWMOWABPJKXTE-ASSFOTHBSA-N 332.444 3.499 30 40 EGEB CC1CCN(C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@H]4C[C@@H]32)CC1 12660033 CDNNTTNHJTXEIK-OVDOOKCHSA-N 347.499 3.245 30 40 EGEB biogenic CC(=O)c1ccc(OCC(=O)Nc2sc3c(c2C#N)CCC3)cc1 3328102 LGPJHEUPAPBSIG-UHFFFAOYSA-N 340.404 3.329 30 40 EGEB COC(=O)c1ccccc1N/C=C/C(=O)c1ccc2c(c1)OCO2 44842538 WZARQXXAFRDXPR-CMDGGOBGSA-N 325.320 3.010 30 40 EGEB Cc1ccc(C)c(S(=O)(=O)N/N=C/c2c(C)[nH]c3ccccc23)c1 3474329 UPMGAXGESOPYKE-YBFXNURJSA-N 341.436 3.406 30 40 EGEB N#CCN1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 69661861 FHCDTZVHTLXWAZ-ZDUSSCGKSA-N 347.216 3.083 30 40 EGEB C=CCCO[C@@H](C)C(=O)[C@H](C#N)c1nc(O)c2ccc(Cl)cc2n1 67786222 BUXDQFMVHVFSAX-GWCFXTLKSA-N 345.786 3.146 30 40 EGEB COc1cccc(NC2CCN(Cc3cc(C#N)n(C)c3C)CC2)c1 93358141 ZIASLEJMZAQTAS-UHFFFAOYSA-N 338.455 3.290 30 40 EGEB N#CCc1ccc(Oc2ccc(NC(=O)c3cc[nH]c(=O)c3)cc2)cc1 95414794 HTEYNQRRGNANLC-UHFFFAOYSA-N 345.358 3.486 30 40 EGEB C#CCN1C(=O)S/C(=C\c2ccc(N3CCCC3)c(F)c2)C1=O 409064885 ISARENZMEYKJRO-PTNGSMBKSA-N 330.384 3.095 30 40 EGEB Cc1ccc(CCN(CC(F)(F)F)C(=O)c2cc(C#N)cn2C)cc1 96459136 TVOJZMIDIHRKBV-UHFFFAOYSA-N 349.356 3.452 30 40 EGEB C=CCCCS(=O)(=O)Nc1ccc2oc(CN3CCCC3)nc2c1 585128496 CPGBPQCEWQLKTN-UHFFFAOYSA-N 349.456 3.132 30 40 EGEB N#Cc1c(NC(=O)C[C@@H](C(=O)O)c2ccccc2)sc2c1CCC2 16482405 NLFYKEVYSFEWCI-CYBMUJFWSA-N 340.404 3.305 30 40 EGEB C=CCSc1nnc(NC(=O)c2ccc(OC)c(F)c2)s1 18118568 XRSSTPNFIUCZCK-UHFFFAOYSA-N 325.390 3.216 30 40 EGEB Cc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(O)c(O)c2)S1 5589995 JUOGRXFSWNZIBL-DHDCSXOGSA-N 326.377 3.298 30 40 EGEB CC(C)(C)c1ccc(/C(=N\O)N[C@H](O)C(Cl)(Cl)Cl)cc1 4280844 HDLUQWIUNMLYAN-LLVKDONJSA-N 339.650 3.398 30 40 EGEB CCOC(=O)c1sc(NC(=O)c2ccccc2OC)c(C#N)c1C 359612 XUWKKVYMZXIASX-UHFFFAOYSA-N 344.392 3.366 30 40 EGEB C=CCn1c(SCC#N)nc2sc3c(c2c1=O)CC[C@H](C)C3 3531945 AERHVNYXJJPZJW-JTQLQIEISA-N 331.466 3.384 30 40 EGEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCc1nnsc1Cl 20979499 BBVYZUYIAPZVFI-UHFFFAOYSA-N 348.771 3.112 30 40 EGEB CN(C)c1cccc(C(=O)NCCSCc2ccccc2C#N)c1 32736778 OPPRJARUKWGTAO-UHFFFAOYSA-N 339.464 3.287 30 40 EGEB C/N=C(\NCc1ccoc1)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 177172230 FOJDBEWLYUFYCK-RDJZCZTQSA-N 346.500 3.089 30 40 EGEB N#Cc1ccccc1NC(=O)COC(=O)/C=C/c1cccc(Cl)c1 3232815 VWMRTJPYBYVHRP-CMDGGOBGSA-N 340.766 3.407 30 40 EGEB CC(C)c1nc(C#N)c(NC[C@H](c2ccc(N(C)C)cc2)N(C)C)o1 27991045 PGSVUYNLTFJKIO-QGZVFWFLSA-N 341.459 3.450 30 40 EGEB O=C1Nc2ccc(Cl)cc2/C1=N/N=c1\[nH]c2ccccc2s1 6078815 NDBFVBOTKFVIJE-UHFFFAOYSA-N 328.784 3.140 30 40 EGEB C=CCn1cnnc1S[C@@H](C)c1nc2sc(C)c(C)c2c(=O)[nH]1 14169021 IYGFAWDFSPUPJL-JTQLQIEISA-N 347.469 3.232 30 40 EGEB Oc1ccc(/C=N/Nc2nc3ccccc3[nH]2)cc1Br 5729142 GTZOZUXKJSSUGX-LZYBPNLTSA-N 331.173 3.477 30 40 EGEB CCOC(=O)c1ccc(-c2ccc(/C=N/n3c(C)nnc3C)o2)cc1 6942970 PUHVOPYOPONLTA-YBFXNURJSA-N 338.367 3.214 30 40 EGEB COc1ccc(N2C=C(C(C)=O)S(=O)(=O)c3ccccc32)cc1 67340753 FMFFHFRKYDZPGP-UHFFFAOYSA-N 329.377 3.051 30 40 EGEB C#CCOCCC(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 95439364 KJFOENYDDFVWNH-UHFFFAOYSA-N 340.354 3.056 30 40 EGEB C=CCOc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1 35299859 KALUDUFLRJNJBE-UHFFFAOYSA-N 336.435 3.209 30 40 EGEB C=CCOc1cccc(CN(C)S(=O)(=O)c2ccc(F)cc2)c1 223731280 QWCNVBCRLHRUOO-UHFFFAOYSA-N 335.400 3.211 30 40 EGEB COc1ccc(C)cc1S(=O)(=O)N[C@@H](CCC#N)c1ccccc1 195430033 NZXLELRYPZTCOE-INIZCTEOSA-N 344.436 3.327 30 40 EGEB CCOc1cccc2cc([C@H](C)N/C(=N/C)NCc3ccon3)oc12 95410744 KBJGMFWVSDXTEK-LBPRGKRZSA-N 342.399 3.246 30 40 EGEB N#Cc1ccc(CNCc2ccc(N3CCC(CO)CC3)cc2)cc1 71825311 AQARQMFDMQYPCF-UHFFFAOYSA-N 335.451 3.057 30 40 EGEB N#Cc1cc2c(nc1NC[C@@H]1CCCO[C@H]1c1cn[nH]c1)CCCC2 599177115 OZXZWOMFVMVCOQ-KBXCAEBGSA-N 337.427 3.135 30 40 EGEB CCOC(=O)/N=C(\NC(=O)OCC)c1cccc(Br)c1 5717053 JWAPJAKJGAMGCE-UHFFFAOYSA-N 343.177 3.098 30 40 EGEB C=CCC1(CC=C)CCN1C(=O)c1cc2c([nH]c1=O)CCCCC2 12325728 JUSVFDNSPCONFC-UHFFFAOYSA-N 326.440 3.381 30 40 EGEB C[C@](C#N)(NC(=O)CNC(c1ccccc1)c1ccccc1)C1CC1 58160659 ITXGBHQXKMPUCC-OAQYLSRUSA-N 333.435 3.174 30 40 EGEB CC(C)C/C(O)=N/S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 58282379 ONVXZLZYTSILMZ-UHFFFAOYSA-N 334.319 3.268 30 40 EGEB C[C@H]1CN(Cc2ccccc2CNCc2cccc(C#N)c2)C[C@@H](C)O1 48816755 QSLBYWONKSGKLV-HDICACEKSA-N 349.478 3.457 30 40 EGEB C=CCNC(=O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 65594313 GFONJBJHVMVUKA-ZDUSSCGKSA-N 346.818 3.465 30 40 EGEB N#Cc1ccc(C(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)cc1 66803064 VIPIPDGZJKHKIN-UHFFFAOYSA-N 343.390 3.405 30 40 EGEB CS/C(=N/S(=O)(=O)c1cccs1)NCc1ccc(F)cc1 4965902 MKFLQWLYVAICIP-UHFFFAOYSA-N 344.458 3.085 30 40 EGEB Cc1cccc(-n2ccnc2SCC(=O)NC2(C#N)CCCC2)c1 7061811 RQNNCNLSRMDZIY-UHFFFAOYSA-N 340.452 3.225 30 40 EGEB Cc1cc(N2CCOCC2)ccc1/C=N\c1ccc([N+](=O)[O-])cc1 409098671 ORHBOJHUKVBRTE-UYRXBGFRSA-N 325.368 3.490 30 40 EGEB C=CCSc1nnc(NC(=O)c2cc(=O)c3ccccc3o2)s1 9330796 CNGPYNXYMWEIKS-UHFFFAOYSA-N 345.405 3.175 30 40 EGEB Cc1cnn([C@@H]2CCCN(C(=O)c3cn(CC#N)c4ccccc34)C2)c1 72235786 YYRYSCFAEXGYRQ-MRXNPFEDSA-N 347.422 3.147 30 40 EGEB Cc1ccc2cc(C(=O)[C@@H](C#N)c3nnc4n3CCCCC4)ccc2n1 97022166 CIVUCECDINPCFH-MRXNPFEDSA-N 345.406 3.351 30 40 EGEB Cc1ccc(S(=O)(=O)Nc2ncccc2C#N)cc1C(F)(F)F 97164891 BGHQDBGTLCDOQG-UHFFFAOYSA-N 341.314 3.081 30 40 EGEB N#Cc1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)n2)cc1Cl 78032457 WJAYSGBDRPSCBK-UHFFFAOYSA-N 341.733 3.184 30 40 EGEB N#Cc1ccc(CNc2ccc(C(=O)NC3CCOCC3)cc2)cc1 79059689 ATGZHXXNJKXPII-UHFFFAOYSA-N 335.407 3.079 30 40 EGEB COc1cc(OC)c(OC)cc1/C=N/OCc1ccccc1C#N 408594539 IEERZACUDKUYLO-RGVLZGJSSA-N 326.352 3.135 30 40 EGEB CC/N=C1\S/C(=C\c2cc(Cl)c(O)c(OC)c2)C(=O)N1CC 408848793 UIKWOIOOGLXCEK-LVFICAAZSA-N 340.832 3.366 30 40 EGEB Nc1ccc2c(n1)NCC/C2=N/Nc1ccc(Br)cc1 35977694 ZMQKJKSULWHPTH-NDENLUEZSA-N 332.205 3.058 30 40 EGEB Cc1cc(S(=O)(=O)/N=C(\O)c2ncccc2C(F)(F)F)c(C)o1 97374896 XIZDOOAPPGDLLZ-UHFFFAOYSA-N 348.302 3.004 30 40 EGEB CN1CCC[C@@H](CNC(=O)CC#N)[C@@H]1c1ccc(C(F)(F)F)cc1 97097371 IUTFNYLRVBHGPW-BBRMVZONSA-N 339.361 3.118 30 40 EGEB C=CCNC(=O)C1(Cc2ccccc2-c2cccnc2)CCOCC1 12088961 RADSBIHSGFJHJH-UHFFFAOYSA-N 336.435 3.390 30 40 EGEB COc1ccc(NC(=O)[C@H](C)Oc2ccc(/C(C)=N\O)cc2)cc1 13115858 ZOHHXJQOQLECCJ-RQZLXBNYSA-N 328.368 3.299 30 40 EGEB N#Cc1ccccc1OCC(=O)Nc1ccccc1OC(F)(F)F 16724466 ZATMEPBLRSAHPA-UHFFFAOYSA-N 336.269 3.474 30 40 EGEB C/C(=N\Nc1nc(C)cc(=O)[nH]1)c1ccccc1OCc1ccccc1 7891689 RUWOIHZKEDYTSF-HZHRSRAPSA-N 348.406 3.493 30 40 EGEB C=CCNC(=O)CSc1nnc(-c2cc3c(s2)CC[C@H](C)C3)o1 12982333 SLPUHYCYLJIUFF-JTQLQIEISA-N 349.481 3.317 30 40 EGEB CN(C/C(O)=N/c1nncs1)Cc1ccc(Br)cc1 48552560 QAJPEGLOROYFIK-UHFFFAOYSA-N 341.234 3.021 30 40 EGEB CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccccc1OCC#N 4472235 DJIHRFZOJGRVRB-SSZFMOIBSA-N 349.415 3.193 30 40 EGEB COc1ccc(/N=C\c2cccc(OC)c2O[C@H](C)C(=O)O)cc1 409221649 UGUDVMSOWPELQL-ZDFPAGSVSA-N 329.352 3.306 30 40 EGEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)OCCCO2 6647282 BDCPNWMPJBFVKS-CYBMUJFWSA-N 338.363 3.126 30 40 EGEB C=CCN1C(=O)c2ccc(C(=O)Nc3cc(F)ccc3C)cc2C1=O 5688207 ORDVBXNNPBCRHM-UHFFFAOYSA-N 338.338 3.168 30 40 EGEB Cc1ccc(C(=O)NC2CCN(c3ccc(C#N)cc3F)CC2)s1 71186055 YLUXYCAQWHZSAP-UHFFFAOYSA-N 343.427 3.466 30 40 EGEB C#CCOc1ccccc1CNC(=O)N[C@H](C)c1cc(C)oc1C 72285319 ZTGGEYZNYZXSLR-CQSZACIVSA-N 326.396 3.469 30 40 EGEB CC1=C[C@@H](CO)[C@H](C(C)C)C[C@H]1CC(=O)NCc1ccc(C#N)cc1 30882735 ZNEDDJAULDXCCA-UFYCRDLUSA-N 340.467 3.411 30 40 EGEB biogenic,in-vitro C=CCOc1cccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)c1 42645546 WNUMWRQMRDMZKU-UHFFFAOYSA-N 349.408 3.069 30 40 EGEB N#C[C@H]1CCC[C@@H]1NC(=O)Cc1c[nH]c2ccc(Br)cc12 585122040 LHTXEDRKLRJKMT-YGRLFVJLSA-N 346.228 3.281 30 40 EGEB C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@H](c2ccc(OC)cc2)C1 281912389 YFQDIOSPNKRXGK-LNLFQRSKSA-N 344.455 3.175 30 40 EGEB N#Cc1cccc(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)c1 12789929 BIWLHXTZRIIGKF-UHFFFAOYSA-N 347.418 3.114 30 40 EGEB C=CCOC[C@@H]1c2nnn(CC3CC3)c2CCN1CC1CCCCC1 2055747492 BMPTZYLGYIICKC-LJQANCHMSA-N 344.503 3.370 30 40 EGEB O=C1N[C@@H](c2ccc(F)cc2)/C(=C(\O)c2ccc(Cl)cc2)C1=O 104126842 UQAIUOAHCGWEKC-MRPLLJTBSA-N 331.730 3.188 30 40 EGEB COc1ccc(C(=O)/C=C/c2ccc(F)c(F)c2)cc1CC(=O)O 7353295 YXFFBDQQMWNRRA-ZZXKWVIFSA-N 332.302 3.497 30 40 EGEB CN(CC(=O)Nc1ccc(Cl)cc1)c1ccc(C#N)cc1[N+](=O)[O-] 8777274 DEMASJSOBXNFIZ-UHFFFAOYSA-N 344.758 3.195 30 40 EGEB COC(=O)[C@H](C#N)c1nc2ccccc2nc1NCc1cccs1 9428770 LFUPFYOZIYCDEV-GFCCVEGCSA-N 338.392 3.084 30 40 EGEB CC[C@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1CC(=O)NC 10343851 HNASXRCHKGGYNZ-HNNXBMFYSA-N 341.455 3.086 30 40 EGEB Cc1c(Cl)cccc1N1CC(=O)C(c2nc3ccccc3[nH]2)=C1N 5009253 IGQLYNXQFQZZNT-UHFFFAOYSA-N 338.798 3.241 30 40 EGEB COc1ccccc1[C@@H](C#N)NC(=O)COc1ccc(F)cc1Cl 65552685 WKYWYESWWKLQEH-CQSZACIVSA-N 348.761 3.248 30 40 EGEB N#Cc1ccc(NC(=O)C(=O)OCc2cccc(F)c2)cc1Cl 69670025 JFUKIEMHTVQEQH-UHFFFAOYSA-N 332.718 3.033 30 40 EGEB COC(=O)Cc1cs/c(=N\N=C2CCCCC2)n1Cc1ccco1 26569975 YILXUAPHVLVJEK-ZPHPHTNESA-N 347.440 3.127 30 40 EGEB C#CCN(C(=O)c1cccc(C(=O)N(C)CC)c1)C1CCCCC1 69948669 QDVWWDDBGYKSPT-UHFFFAOYSA-N 326.440 3.187 30 40 EGEB C=CC[C@H](NC(=O)c1[nH]c(CC)c(C(=O)OC)c1C)c1ccncc1 72285357 XSLRIAVUUSSRLW-HNNXBMFYSA-N 341.411 3.114 30 40 EGEB COCCC1(CNC(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 95426827 ZCEMWTGMVZXJRZ-UHFFFAOYSA-N 349.434 3.420 30 40 EGEB C=C(Br)CN1CCC(NC(=O)C2CCCCC2)CC1 95431561 UKIKFJQGWHJXKQ-UHFFFAOYSA-N 329.282 3.056 30 40 EGEB C=C[C@@H](C)N1C(=O)S/C(=C\c2ccc(N3CCOCC3)cc2)C1=O 409083511 BFHDVEHUDVCDFC-OPCAMPFDSA-N 344.436 3.134 30 40 EGEB CCOc1cc(/C=N/Nc2nc(O)c3ccccc3n2)ccc1OC 408730729 HLKZDLCZFXZGFC-YBFXNURJSA-N 338.367 3.189 30 40 EGEB COc1cc2c(cc1OC)/C(=N/Nc1ccc(Cl)cc1C)C(=O)N2 223736744 LLELBDJPBSYXAN-UHFFFAOYSA-N 345.786 3.434 30 40 EGEB C[C@H](NS(=O)(=O)c1ccc(CC#N)cc1)c1csc(C2CC2)n1 80754133 WQZMZFAYDKZXNS-NSHDSACASA-N 347.465 3.126 30 40 EGEB Cc1nn(C)c(C)c1/C(O)=N/[C@@H](CO)c1c(Cl)cccc1Cl 330032292 LNHGHLAGZNXIJK-LBPRGKRZSA-N 342.226 3.382 30 40 EGEB C#CCn1cc(CN(C)C(=O)Nc2cccc(O[C@@H](C)CC)c2)cn1 96476177 QRQJPTHTQJDAEY-HNNXBMFYSA-N 340.427 3.358 30 40 EGEB CC1CCN(c2nn(-c3ccccc3C(F)(F)F)nc2C#N)CC1 256046447 FZEUZBYYXLBYCH-UHFFFAOYSA-N 335.333 3.394 30 40 EGEB CC(C)/C(O)=N/S(=O)(=O)c1cc(Cl)c(Br)s1 84370617 RAVKZICXQJLZQY-UHFFFAOYSA-N 346.655 3.465 30 40 EGEB O=C(CO/N=C/c1ccc(OC(F)F)cc1)NC1CCCCC1 3328855 RQQGYYQQLXHJFK-VXLYETTFSA-N 326.343 3.087 30 40 EGEB CCN(CC(=O)Nc1ccc(Br)cc1C)C[C@@H](C)C#N 40556360 KWDLBRDYAARSNW-NSHDSACASA-N 338.249 3.178 30 40 EGEB C=CCOc1cccc(/C=N/Nc2nc(C)cc(COC)c2C#N)c1 4750716 XRMFSCROXBNVKG-CIAFOILYSA-N 336.395 3.419 30 40 EGEB Brc1cc(/C=N/Cc2ccccc2)oc1N1CCOCC1 59303538 BQMDHEIHQJRWNL-LDADJPATSA-N 349.228 3.498 30 40 EGEB N#Cc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])o3)n2)cc1 3348634 VLNUJIZTODYWFG-UHFFFAOYSA-N 340.320 3.435 30 40 EGEB CCSc1nc2n(n1)[C@@H](c1ccccc1)C1=C(CCCC1=O)N2 4436128 JKAJNXZZXGYGAX-HNNXBMFYSA-N 326.425 3.412 30 40 EGEB CCCCN1C(=O)[C@@](O)(CC(=O)/C=C/c2ccco2)c2ccccc21 4554894 IWEIAQWFMZBBRF-CTDFXDFQSA-N 339.391 3.287 30 40 EGEB C=CCn1c(SCC(=O)OC(C)C)nnc1-c1ccc(C)cc1 5500173 ILZQKMIKBNNKOU-UHFFFAOYSA-N 331.441 3.483 30 40 EGEB CSc1nc2n(n1)[C@@H](c1ccccc1F)C1=C(CCCC1=O)N2 6677824 KNBHCVQUCDMXNW-AWEZNQCLSA-N 330.388 3.161 30 40 EGEB Cn1cc(C#N)cc1C(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 95409194 UHBBCONINRJVTR-UHFFFAOYSA-N 342.362 3.087 30 40 EGEB CN1C(=O)[C@@](Cl)(C#N)[C@H](c2ccccc2)N(C)[C@H]1c1ccccc1 31771623 XIJSAIBUDIFEMO-YQVWRLOYSA-N 339.826 3.331 30 40 EGEB COc1ccc(C2(C#N)CCN(C(=O)OC(C)(C)C)CC2)cc1OC 79033219 LAWWVLUAUGYBSD-UHFFFAOYSA-N 346.427 3.496 30 40 EGEB C=CCOc1ccc(NC(=O)C(C)(C)NC(=O)OC(C)(C)C)cc1 225924504 KGOAZMKTCZHARB-UHFFFAOYSA-N 334.416 3.493 30 40 EGEB COc1cc(C#N)cc(Br)c1OCC[C@H]1CCCO1 225533169 MWPBNRICPQTDEO-LLVKDONJSA-N 326.190 3.277 30 40 EGEB COc1ccccc1CC/C(C)=N\NS(=O)(=O)c1ccc(C)cc1 16929023 QZMXNQDKDHPSHH-CYVLTUHYSA-N 346.452 3.291 30 40 EGEB N#C[C@@H]1C(=O)NC(=O)[C@@H](C#N)C1c1c2ccccc2cc2ccccc12 1573073 QVKGRYRNPHFUSN-IRXDYDNUSA-N 339.354 3.013 30 40 EGEB C=CCn1c(CCNC(=O)c2c(F)cccc2F)nc2ccccc21 41146070 UJBJHDMVRGLJNK-UHFFFAOYSA-N 341.361 3.473 30 40 EGEB CCOc1ccc(C(=O)/C=C/Nc2ccc(S(C)(=O)=O)cc2)cc1 51318918 IBMGPXRFMXEQNW-OUKQBFOZSA-N 345.420 3.297 30 40 EGEB CNc1nc2ccc(C)cn2c(=O)c1/C=N/c1ccc(Cl)cc1 102937872 DPOYPLUQHAEGJH-AWQFTUOYSA-N 326.787 3.449 30 40 EGEB C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H](CC)c2ccccc2)c1 47194523 UNKJJFRIIJQCFT-IBGZPJMESA-N 334.419 3.259 30 40 EGEB CCOc1cccc([C@H]2[C@@H](C#N)C(=O)Nc3nc4ccccc4n32)c1 20637729 LFILRDPQTIOVOW-PBHICJAKSA-N 332.363 3.116 30 40 EGEB C=CCn1cc(C(=O)Nc2ccc(CC(N)=O)cc2)c2ccccc21 57432533 NOKZQTAOKKVJJI-UHFFFAOYSA-N 333.391 3.107 30 40 EGEB N#Cc1ccc(N2CCC(NC(=O)c3ccsc3)CC2)c(F)c1 58314296 OCBLENGAUDQLGC-UHFFFAOYSA-N 329.400 3.158 30 40 EGEB COc1cc(C#N)ccc1OCCCC(=O)Nc1sccc1C#N 48367182 VYGCDHXOZQNOFT-UHFFFAOYSA-N 341.392 3.298 30 40 EGEB C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Nc2sccc2C#N)CC1=O 13040849 YUPWMKYHAQJOTQ-WFASDCNBSA-N 339.420 3.168 30 40 EGEB COc1cccc([C@H]2C3=C(CCCC3=O)Nc3nc(SC)nn32)c1 4436105 AJKQWKOMCCNNHX-HNNXBMFYSA-N 342.424 3.031 30 40 EGEB COc1cc(NC(=O)CO/N=C/c2ccccc2C)cc(OC)c1 6930527 LTMUESUPTDRCSU-YBFXNURJSA-N 328.368 3.001 30 40 EGEB CO[C@H](C(=O)NC1CCN(c2ccccc2C#N)CC1)c1ccccc1 72298076 YGSJRVOEYHIOQY-FQEVSTJZSA-N 349.434 3.031 30 40 EGEB Cc1csc([C@@H](C#N)C(=O)c2cccc(Nc3cnccn3)c2)n1 97034274 SSPNCJSIJANOEA-AWEZNQCLSA-N 335.392 3.475 30 40 EGEB C#CCOc1ccc([N+](=O)[O-])cc1C=C1C(=O)c2ccccc2C1=O 409392794 RZBJUPUSZRKJKA-UHFFFAOYSA-N 333.299 3.069 30 40 EGEB Cc1cc(NC(=O)c2cc(C(C)C)n(C)n2)c(C#N)cc1N(C)C 576328974 OYJVYMXKUCLIFW-UHFFFAOYSA-N 325.416 3.042 30 40 EGEB C=CCNC(=O)c1ccccc1NC(=O)COc1ccc(C)c(C)c1 13995749 RKJKOSDYLCOXAM-UHFFFAOYSA-N 338.407 3.237 30 40 EGEB CCN(Cc1ccc2c(c1)OCCO2)C(=O)/C=C/c1ccc(C#N)cc1 7986960 KKAWELSUTHHJTJ-CSKARUKUSA-N 348.402 3.391 30 40 EGEB C[C@]12CN(/N=C/c3ccc(Cl)cc3)[C@]3(C(N)=O)C[C@@H]1CC[C@]23C 101023488 WYNOWNMBEJHPPD-FXDPIWDQSA-N 331.847 3.040 30 40 EGEB COc1ccccc1C[C@@H]1CCCN(C(=O)c2cc(C#N)cn2C)C1 81731882 XGHZGWCCPKZHLJ-HNNXBMFYSA-N 337.423 3.000 30 40 EGEB CCOc1cc(C#N)ccc1OCC(=O)Nc1ccc(Cl)cn1 26861225 KQANLTSNRZPNBQ-UHFFFAOYSA-N 331.759 3.023 30 40 EGEB Cc1nc2sc3c(c2c(=O)n1/N=C/c1ccc(C#N)cc1)CCC3 3339090 XHQJXVSRQBUQCJ-KEBDBYFISA-N 334.404 3.009 30 40 EGEB C[C@H](Nc1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccc(C#N)cc1 10770548 LNWIUFUNUWVTRA-ZDUSSCGKSA-N 348.406 3.346 30 40 EGEB C=CCOc1ccc(CN(C)C(=O)c2cc(=O)[nH]c3ccccc23)cc1 13004179 IOVDMKGPDNKKJC-UHFFFAOYSA-N 348.402 3.365 30 40 EGEB C[C@H]1CCCN(C[C@@H]2C(=O)O[C@@]34[C@@H](CC[C@@]5(C)O[C@H]53)[C@H](C)CC[C@@H]24)C1 4064895 UVGULDLZIGGMGP-JLYDJJJDSA-N 347.499 3.244 30 40 EGEB biogenic CCOC(=O)C1CCN(c2c(C#N)cnc3ccc(F)cc23)CC1 64438661 VIJNGLRKVKEFMC-UHFFFAOYSA-N 327.359 3.025 30 40 EGEB CC(C)(C)CN(CCC#N)C(=O)Nc1cccc(N2CCNC2=O)c1 69742973 VEYWDTDJIJRBRO-UHFFFAOYSA-N 343.431 3.010 30 40 EGEB C#CCC1(COC(=O)C2CCN(C(=O)c3ccccc3)CC2)CCC1 95454238 VMOSCERNVSPVPT-UHFFFAOYSA-N 339.435 3.276 30 40 EGEB O=[N+]([O-])c1ccc(O)c(/C=N\Nc2ccc(C(F)(F)F)cn2)c1 35596029 ARBZLCDHOMOMJK-FXBPXSCXSA-N 326.234 3.160 30 40 EGEB CCOc1ccc(S(=O)(=O)Nc2ccc(CC#N)cc2)cc1C 32591135 JCZINTPVECMVLW-UHFFFAOYSA-N 330.409 3.261 30 40 EGEB CC(=O)Nc1ccc(S[C@@H](C)C(=O)NC2(C#N)CCCCC2)cc1 7028196 YYLGXBJTZLJMFZ-ZDUSSCGKSA-N 345.468 3.468 30 40 EGEB CCN(C)C(=O)c1cccc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)c1 78445785 MQVNNADESSGCAG-OAHLLOKOSA-N 347.374 3.410 30 40 EGEB C[C@H](O/N=C/C(=O)Nc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 96967893 ZPXCWCQIPBQHEQ-HPAYWCODSA-N 331.303 3.436 30 40 EGEB C[C@H](c1ccc(Cl)cc1)N1CCN(C[C@@H](C#N)CCC#N)CC1 96435802 UASGDTMLBJVORM-HZPDHXFCSA-N 330.863 3.462 30 40 EGEB CCOc1cc(/C=N/n2cnnc2)ccc1OCc1ccccc1F 5953519 QEVQGJVUAWZCLF-LSHDLFTRSA-N 340.358 3.277 30 40 EGEB Cc1sc(NC(=O)CSc2nnc(C(C)C)n2C)c(C#N)c1C 410466 IKWKFZMCHJLITB-UHFFFAOYSA-N 349.485 3.219 30 40 EGEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1/N=C\c1cccc2ccccc12 100201110 KCWQNWPQOBZSRR-GSTCWSJOSA-N 342.398 3.227 30 40 EGEB COc1ccc(N2C(=O)C(O)=C(C(C)=O)[C@@H]2c2ccccc2F)cc1 549044 WPFMHFXJFBZQDV-KRWDZBQOSA-N 341.338 3.323 30 40 EGEB CC(C)c1nc(OCCCN(C)C)c(C#N)c2c1COC(C)(C)C2 12324555 PEBLWVQSOCWMMJ-UHFFFAOYSA-N 331.460 3.258 30 40 EGEB N#Cc1ccsc1NC(=O)Cc1cc(Cl)c2c(c1)OCCO2 10442102 UJYNFDUNCHBUQP-UHFFFAOYSA-N 334.784 3.226 30 40 EGEB O=C(Nc1cccc2nsnc12)C(F)(F)C(F)(F)C(F)(F)F 2276275 CUQUVABEZLLAKJ-UHFFFAOYSA-N 347.215 3.463 30 40 EGEB COc1cc(/C=N/Nc2nc3ccccc3s2)cc(OC)c1O 5512391 DAUUWQJFFMJEJH-RQZCQDPDSA-N 329.381 3.465 30 40 EGEB C=CCNC(=S)N(Cc1ccccc1O)c1ccc(OC)cc1 7582034 CZQCQCMJCKUMMK-UHFFFAOYSA-N 328.437 3.468 30 40 EGEB N#Cc1cccc(CS(=O)(=O)N2CCCC[C@@H]2c2ccco2)c1 71909496 XYMYBMMZBYFICO-MRXNPFEDSA-N 330.409 3.208 30 40 EGEB N#C[C@]1(NC(=O)CCCC(=O)c2ccc(Cl)cc2)CCSC1 72286813 WTYWWKQFBHECDW-MRXNPFEDSA-N 336.844 3.208 30 40 EGEB C=C(Br)CN1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 95432176 BZCLSJAYHMNEGP-PWSUYJOCSA-N 333.270 3.130 30 40 EGEB C=CCN(CC(=O)OCC)c1nc(-c2cccnc2)nc2ccccc12 95443198 INJUXEKNTDFLKK-UHFFFAOYSA-N 348.406 3.247 30 40 EGEB COc1ccccc1-c1noc(CN(C)Cc2ccc(C#N)cc2)n1 89351054 UGDTVSNEQPTJAF-UHFFFAOYSA-N 334.379 3.249 30 40 EGEB CC[C@@H](C)Oc1ccccc1C=NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 409404666 LQFSYJGBQLKPNB-ZCHQSPEWSA-N 338.407 3.005 30 40 EGEB C#CCn1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c2ccccc21 409010770 LCUNKCXXYRMTDH-QGOAFFKASA-N 341.370 3.372 30 40 EGEB CC(=O)Oc1ccc2c(c1)[C@H]1c3ccccc3[C@H]2[C@H]2C(=O)C=CC(=O)[C@@H]12 245231811 JSOZWJZOWBXDAX-YSFYHYPLSA-N 344.366 3.143 30 40 EGEB N#Cc1cc(Br)ccc1C(=O)N1CCCC(F)(F)C1 593235580 IKZKJLAVWXZOBT-UHFFFAOYSA-N 329.144 3.192 30 40 EGEB CC1=C2[C@@H]3OC(=O)[C@H](C)[C@H]3CC[C@]2(C)C=C(Br)C1=O 5080586 QRONGANYXMWLQI-CWBSHCDESA-N 325.202 3.142 30 40 EGEB COc1ccc(-c2nc(NCCc3ccccc3)nc(O)c2C#N)cc1 40129955 VZMYBXIVXHRIGA-UHFFFAOYSA-N 346.390 3.384 30 40 EGEB C=CCn1c(SCCO)nc2cc(-c3ccccc3)sc2c1=O 7038599 ZSJJCKYZBBDYLY-UHFFFAOYSA-N 344.461 3.395 30 40 EGEB CCCOC(=O)C[N+](C)(C)CCO[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C 101825309 YPXYMOSBZGQIMQ-FCEWJHQRSA-N 326.501 3.247 30 40 EGEB Cc1ccc(-c2c[n+](CC(=O)OCc3ccccc3)c3n2CCC3)cc1 16994490 OBSNFFYFHKZABQ-UHFFFAOYSA-N 347.438 3.441 30 40 EGEB CC(=O)c1c[nH]c(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)c1 24507574 LHNFBNPBKHOFPD-UHFFFAOYSA-N 334.297 3.018 30 40 EGEB C=C[C@@H](C)N1C(=O)S/C(=C/c2cc3c(cc2OCC)OCO3)C1=O 409101155 VZCAFEWGSSOQTC-MIJYTDESSA-N 347.392 3.425 30 40 EGEB N#Cc1ccc(CCC(=O)O[C@H](C(=O)NC2CC2)c2ccccc2)cc1 12958564 YUGCQTQWWMYZSK-FQEVSTJZSA-N 348.402 3.054 30 40 EGEB COc1cc(CCC(=O)N[C@@](C)(C#N)CC(C)C)cc(OC)c1OC 69415015 CTXDUSDZTROLSN-LJQANCHMSA-N 348.443 3.090 30 40 EGEB N#CCCN(Cc1cccnc1)C(=O)c1ccc(OCC2CC2)cc1 69595120 SWHSLBJJXTXUSU-UHFFFAOYSA-N 335.407 3.426 30 40 EGEB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4CCC[C@@]4(C)CC[C@@H]32)[C@@H]1O 118915208 LGMXWRFZIGLDKL-YVELSALRSA-N 346.467 3.421 30 40 EGEB Cc1cc(/C=N/NC(N)=S)c(C)n1-c1cccc(C(F)(F)F)c1 408995837 FECBEVNHVMCJLN-DNTJNYDQSA-N 340.374 3.280 30 40 EGEB O=S(=O)(/N=C(\O)CCc1cscn1)C1=Cc2ccccc2CC1 79101963 PMGVJXMPLYOFGU-UHFFFAOYSA-N 348.449 3.349 30 40 EGEB C=CCN(c1ccccc1F)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225003284 WZXLCVDYNKDQKE-UHFFFAOYSA-N 336.344 3.115 30 40 EGEB CCCCS[C@H](C)C(=O)Nc1c(C#N)nnn1Cc1ccccc1 585125428 RXGAHUWKCIVPLX-CYBMUJFWSA-N 343.456 3.058 30 40 EGEB CN(C)c1ccc([C@@H]2CCCN2Cc2ccc(C#N)cc2Cl)nn1 591625570 RNKQCIZRQJLBHZ-KRWDZBQOSA-N 341.846 3.405 30 40 EGEB C[C@@H](c1ccccc1F)N(CC(=O)N[C@@](C)(C#N)C1CC1)C1CC1 52837214 JEYZUGQDDMMNSW-DJJJIMSYSA-N 329.419 3.160 30 40 EGEB O=c1c2c(-c3ccccc3)csc2ncn1/N=C/c1cccnc1 1466058 QZVCLSPJXBGLBB-UFFVCSGVSA-N 332.388 3.402 30 40 EGEB COc1ccc(-n2c(SCC#N)nnc2-c2ccc(O)cc2)cc1 5007506 HBWICXIIZAFYQV-UHFFFAOYSA-N 338.392 3.264 30 40 EGEB Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(C#N)cc3)CC2=O)c1C 12831835 XIOBTQAXXXBFJH-INIZCTEOSA-N 333.391 3.167 30 40 EGEB CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(O)cc1 19315207 BQDWJUIBZHJYRR-KRWDZBQOSA-N 341.407 3.313 30 40 EGEB N#Cc1ccccc1OCC(=O)Nc1ccc(F)cc1Br 20430941 BKGSQRGCSJQDRO-UHFFFAOYSA-N 349.159 3.477 30 40 EGEB O=C(ONC(=O)c1cccs1)c1cccc(Br)c1 4949215 LDHRECPFYWIJFQ-UHFFFAOYSA-N 326.171 3.012 30 40 EGEB C=CCNC(=O)c1ccccc1NC(=O)CSc1ccccc1 58584584 CJPGZLIJZQQUPP-UHFFFAOYSA-N 326.421 3.333 30 40 EGEB Cc1cc(N2CCCC2)c(F)cc1/C=N/Nc1ccc([N+](=O)[O-])cn1 107810958 ILTPCUGJSMKRKY-KEBDBYFISA-N 343.362 3.484 30 40 EGEB Cc1cccc(C[C@@H]2S/C(=N/N=C\c3ccccc3F)NC2=O)c1 5010016 NXPZKOGKJUYCBP-VBNMEBLOSA-N 341.411 3.298 30 40 EGEB N#CCCN(Cc1ccccn1)C(=O)/C=C/c1c(F)cccc1F 69538874 MSTKJLLXGVWKOY-CMDGGOBGSA-N 327.334 3.315 30 40 EGEB N#Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1Cl 8216434 WQIOUJQYZIZPCN-CYBMUJFWSA-N 339.782 3.203 30 40 EGEB N#C[C@H](C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)c1ccc2ccccc2n1 89873127 RGTXGXKAEROICO-SJORKVTESA-N 347.418 3.060 30 40 EGEB COC(=O)[C@@H](N[C@@H](C)c1c(F)cccc1OC)c1cccc(C#N)c1 83032071 ZKMDLCGBCGKOFH-SGTLLEGYSA-N 342.370 3.271 30 40 EGEB N#Cc1cc(NCc2ccc(N3CCCC3=O)cc2)ccc1[N+](=O)[O-] 97144350 ZXQUYKPVKRUVHH-UHFFFAOYSA-N 336.351 3.205 30 40 EGEB N#Cc1ccc(OC2CCN([C@@H]3Cc4ccccc4[C@H]3O)CC2)cc1 95987239 RMHZTXMOSAFKLB-NHCUHLMSSA-N 334.419 3.060 30 40 EGEB C=CCn1cnc2c(sc3nc4c(cc32)CO[C@@](C)(CC)C4)c1=O 32104304 JOUYXZUCHRIJQV-SFHVURJKSA-N 341.436 3.434 30 40 EGEB N#Cc1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2)c(F)c1 409211521 NQYDUCXFKBQWMF-UHFFFAOYSA-N 332.718 3.146 30 40 EGEB Cc1cc(F)c(S(=O)(=O)/N=C(O)/C=C/c2cccnc2)cc1F 96485453 BDMDGUNJQPAGBU-SNAWJCMRSA-N 338.335 3.027 30 40 EGEB N#Cc1ccc(OC[C@@H](O)CN2CCC[C@@H]2c2cccs2)cc1 40475826 NSQNREJSIXMHHZ-DOTOQJQBSA-N 328.437 3.197 30 40 EGEB C=CCn1c(SCc2cccc(C(=O)N(C)C)c2)nnc1C1CC1 58202668 JBDWIVHDMRDYCZ-UHFFFAOYSA-N 342.468 3.336 30 40 EGEB CN(CC(=O)Nc1cccc2ccccc12)C(=O)c1cccc(C#N)c1 8485279 XYWOFNUFRIEPHU-UHFFFAOYSA-N 343.386 3.422 30 40 EGEB C[C@@]1(CCc2ccccc2)NC(=O)N(Cc2ccc(C#N)cc2)C1=O 4288721 NYPSQOPHVGSMER-FQEVSTJZSA-N 333.391 3.002 30 40 EGEB CC(C)n1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c2ccccc21 409409501 VTPFHPKYTJUVLB-KODHJQJWSA-N 347.418 3.363 30 40 EGEB CSc1ccc(/C=C/C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)cc1 6362708 AJKVMSQZMYHKFY-RUJXFNLJSA-N 346.452 3.019 30 40 EGEB Cc1nn(CC(=O)[C@H](C#N)c2nc3ccccc3o2)c(C)c1Cl 69697928 LICLIMQWHTWQME-NSHDSACASA-N 328.759 3.171 30 40 EGEB Cc1ccc(NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)c(Cl)c1 6653657 CZGJPTWHQPCLJD-UHFFFAOYSA-N 343.814 3.397 30 40 EGEB N#C[C@@H](NC(=O)[C@H]1CC(=O)Nc2ccccc21)c1cccc(Cl)c1 69892921 BPYYXSRIVFOOMN-GOEBONIOSA-N 339.782 3.147 30 40 EGEB C=CCN1C(=O)S/C(=C/c2ccc(N3CCOCC3)c(C)c2)C1=O 409094156 CKGIYUWARDHIQN-FOWTUZBSSA-N 344.436 3.054 30 40 EGEB COc1cc(CNc2nc(C)c([N+](=O)[O-])c(C)c2C#N)cc(OC)c1 19315315 VVYLNBVURALZET-UHFFFAOYSA-N 342.355 3.108 30 40 EGEB Cc1csc(-c2cccc(C(=O)N[C@@]3(C#N)CCSC3)c2)n1 72292331 GKTDIRWEXUCQFL-MRXNPFEDSA-N 329.450 3.248 30 40 EGEB C#CCC(C)(C)OC[C@@H](O)CN1CCC(Cc2ccccc2)CC1 28295199 ZGBRVVHTBITITD-FQEVSTJZSA-N 329.484 3.121 30 40 EGEB C=CCO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1csc2ccccc12 96041551 LETBNJMSWMJEOC-LZLYRXPVSA-N 343.448 3.476 30 40 EGEB OC[C@](F)([C@@H](F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F 95671206 PCGUNVYNJIFBQT-GBXIJSLDSA-N 332.084 3.420 30 40 EGEB C[C@](O)(C#C[C@](O)(c1ccccc1)C(F)(F)F)c1ccc(F)cc1 4334552 DZVAPKOQXBBGKD-IRXDYDNUSA-N 338.300 3.487 30 40 EGEB N#Cc1c(Br)nc(-c2ccccc2Cl)c(C#N)c1N 78549679 MGQYNLOLRRHCSW-UHFFFAOYSA-N 333.576 3.490 30 40 EGEB CC1=NN(Cc2ccccc2)C(=O)[C@@H]1[C@@H](c1ccccc1)C(C#N)C#N 271737 ZIGSJELRQGYINN-PMACEKPBSA-N 342.402 3.468 30 40 EGEB N#Cc1c(N)nc2c(c1N)[C@@H](c1ccc(F)cc1)c1ccc(O)cc1O2 22145699 DDHNWCFGUWXVKP-HNNXBMFYSA-N 348.337 3.248 30 40 EGEB CCCCCCCCCNC(=O)c1c(O)c2c([nH]c1=O)CCCC2 1835685 HSDGTOKKHLDBHL-UHFFFAOYSA-N 334.460 3.440 30 40 EGEB CCc1cc(C(=O)OCC(=O)Nc2sccc2C#N)sc1C 10238089 DIGAHZYIUPELKT-UHFFFAOYSA-N 334.422 3.348 30 40 EGEB COc1cc(C#N)ccc1O[C@@H](C)C(=O)Nc1ccc(C)c(F)c1 7858441 ZWCLCRPQECSQNC-LBPRGKRZSA-N 328.343 3.420 30 40 EGEB C#CCN1CCC(C(=O)Nc2cc(F)ccc2N2CCCCC2)CC1 69443264 WIPSHTDNQPNZKX-UHFFFAOYSA-N 343.446 3.100 30 40 EGEB Cc1ccc(C)c(NC(=O)Cn2c(C)nnc2-c2cccc(C#N)c2)c1 71916033 ZSHPQZSEWPEQPE-UHFFFAOYSA-N 345.406 3.381 30 40 EGEB N#CCOc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 18895556 BODFRGBUQQQYDU-UHFFFAOYSA-N 328.802 3.105 30 40 EGEB CCOc1ccc(/C=N\OCC(=O)Nc2cccc(C)c2)cc1OC 33540219 SOPJIEIFBKBOBB-NDENLUEZSA-N 342.395 3.392 30 40 EGEB CCN(CC)CCNC(=O)c1ccc(/N=C\c2ccccc2O)cc1 34240565 JIIOQUBMHDSXOQ-JCMHNJIXSA-N 339.439 3.214 30 40 EGEB COc1cc(F)c([C@H](C)NC(=O)c2cccc(CC#N)c2)cc1OC 74611016 WWEKYBMCQAHBLV-LBPRGKRZSA-N 342.370 3.400 30 40 EGEB Cc1nc(C)c(C#N)c(S[C@H](C)c2cn(-c3ccccc3)nn2)n1 96471945 LXTZMVWCLPQXIH-GFCCVEGCSA-N 336.424 3.399 30 40 EGEB N#Cc1ccc(N2CCO[C@H](c3cccc(F)c3)C2)c([N+](=O)[O-])c1 66815015 FCWQKBMFRYHBQA-KRWDZBQOSA-N 327.315 3.183 30 40 EGEB CCOC(=O)C[C@@H](/C=C1\C(=O)[C@@]2(C)CC[C@H]1C2(C)C)C(=O)OCC 245239527 KAUNDGKZMCLVBD-PKDJHWJBSA-N 336.428 3.071 30 40 EGEB CC(C)[C@](C)(C#N)NC(=O)CNc1ccc(SC(F)F)cc1 40460986 WHGIWBCIZDIHIY-HNNXBMFYSA-N 327.400 3.468 30 40 EGEB Cc1ccc(S(=O)(=O)OC[C@@]23CC[C@](C)(C(=O)C2)C3(C)C)cc1 100837554 FLGTYOMTXDOJJS-QZTJIDSGSA-N 336.453 3.486 30 40 EGEB CSc1ccc(/C=N/NS(=O)(=O)c2cc(C)ccc2C)cc1 2629581 OZIVWTAHOGMCLQ-GZTJUZNOSA-N 334.466 3.338 30 40 EGEB CC(C)OC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCCCC1 551975 NPRZORIXIHPTSB-CQSZACIVSA-N 338.411 3.179 30 40 EGEB COc1cccc(NC(=O)[C@H](C#N)Cc2ccc(OC)cc2OC)c1 57525133 HTGIXGVMKDRDLM-AWEZNQCLSA-N 340.379 3.033 30 40 EGEB COc1ccccc1/C=C/C=N/NC(=S)NCc1ccccc1 6299102 BQCBMUQUQSBUPQ-OYZPYISSSA-N 325.437 3.359 30 40 EGEB Cc1nn(C)cc1/C=N/NC(=S)Nc1ccc(Cl)cc1Cl 8829179 WXBJDZQMERTQSM-OMCISZLKSA-N 342.255 3.356 30 40 EGEB Cc1ccc(S(=O)(=O)c2oc(-c3cccs3)nc2C#N)cc1 27664182 BOWOECOKNYDOQJ-UHFFFAOYSA-N 330.390 3.416 30 40 EGEB C#CCOc1ccc(F)cc1NC(=O)N[C@@H](C)Cc1c(C)noc1C 76081691 VKWOEXOTNGERRO-NSHDSACASA-N 345.374 3.195 30 40 EGEB CN(C)C1CCN(CCNc2ccc(C(F)(F)F)c(C#N)c2)CC1 97145024 JVVQZNZZZCQGHI-UHFFFAOYSA-N 340.393 3.015 30 40 EGEB COc1ccc(NC(=O)COc2ccc(/C=N\O)cc2Cl)cc1 409376033 SLVXBBWVJMSJSU-NVMNQCDNSA-N 334.759 3.174 30 40 EGEB CC(C)[C@H](SCc1ccccc1)C(=O)Nc1nc(C#N)c(C#N)[nH]1 585125699 BZYDDZOHHOGSBC-HNNXBMFYSA-N 339.424 3.050 30 40 EGEB N#Cc1ccccc1NS(=O)(=O)c1cccc(Br)c1 7056944 SYGVVZCUYZYYDZ-UHFFFAOYSA-N 337.198 3.122 30 40 EGEB N#Cc1ccc(NCCc2cnn(-c3ccccc3)c2)c([N+](=O)[O-])c1 32899463 IDUYTELXUTUOAH-UHFFFAOYSA-N 333.351 3.307 30 40 EGEB COc1cccc(C(=O)NC(=S)Nc2sc(C)c(C)c2C#N)c1 9140941 RUZFIHIGLAFHAY-UHFFFAOYSA-N 345.449 3.372 30 40 EGEB N#Cc1cccc(NC(=O)/C=C/C(=O)N2CCCc3ccccc32)c1 33028293 DYYPEPHUSMVAEU-ZHACJKMWSA-N 331.375 3.032 30 40 EGEB Cc1c(CO/N=C/C(=O)Nc2ccc(F)cc2F)cccc1[N+](=O)[O-] 55047586 DQYCVZFBCINWOT-UFWORHAWSA-N 349.293 3.323 30 40 EGEB CCNc1oc(/C=C/c2cc(OC)c(OC)c(OC)c2)nc1C#N 8227387 YVKASMHMAXBGDJ-VOTSOKGWSA-N 329.356 3.174 30 40 EGEB C=CCCCOC(=O)[C@H](CC)N(Cc1ccco1)C(=O)n1ccnc1 5114932 WBTYBAGIHOISOQ-INIZCTEOSA-N 345.399 3.234 30 40 EGEB in-vitro CSc1nc2n(n1)[C@H](c1ccc(F)cc1)C1=C(CCCC1=O)N2 4436050 AYIOOYWUWUCYFS-CQSZACIVSA-N 330.388 3.161 30 40 EGEB CC(C)(CNC(=O)c1cccc(C#N)c1)N1CCc2ccccc2C1 25459728 AEIRUEWMIMPHAM-UHFFFAOYSA-N 333.435 3.125 30 40 EGEB COC(=O)c1ccccc1NC(=O)C(F)(F)C(F)(F)C(F)(F)F 4836826 OSASKXXYHKHJKT-UHFFFAOYSA-N 347.186 3.245 30 40 EGEB CCN(C[C@@H](C)C#N)C(=O)COc1ccc(Oc2ccccn2)cc1 71961992 NMZGQDWPVNILCN-HNNXBMFYSA-N 339.395 3.261 30 40 EGEB C[C@H]1C[C@H](NS(=O)(=O)Cc2cccc(C#N)c2)c2ccccc21 71888407 MKUUIFAYXCRXDA-UGSOOPFHSA-N 326.421 3.226 30 40 EGEB C#CCN(Cc1ccco1)C(=O)N[C@H]1CCC[C@H]1Oc1ccccc1 72281540 PLMJEBCNSFOWDC-RBUKOAKNSA-N 338.407 3.425 30 40 EGEB Cc1nn(C)c(Cl)c1[C@@H]1CCCN1C(=O)Cc1ccc(C#N)cc1 75602423 KVUPUGVTKBEAJU-HNNXBMFYSA-N 342.830 3.160 30 40 EGEB Cc1ccc(N2CCO[C@@H]2c2cn(Cc3cccc(C#N)c3)nn2)cc1 216761607 VJGSZTHETGIWSN-HXUWFJFHSA-N 345.406 3.042 30 40 EGEB Cc1nc(N2CCC[C@H]2c2ccc(N(C)C)nn2)c(Cl)cc1C#N 591613161 KRAZBNMOIPOBGN-HNNXBMFYSA-N 342.834 3.113 30 40 EGEB CC(C)(C)[C@@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1ccc(F)cc1 53644251 XKJTVDUDSUGVND-PKOBYXMFSA-N 331.435 3.311 30 40 EGEB Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(C#N)cc2)c(C)s1 5357082 OUJORUUMWLRVQF-LLVKDONJSA-N 328.393 3.421 30 40 EGEB C=CCNc1nnc(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)s1 5754122 YJPYNKIGPIQBCG-VIFPVBQESA-N 345.453 3.226 30 40 EGEB COc1ccc2c(c1)OC[C@@H](C(=O)[C@@H](C#N)c1nc3ccccc3o1)C2 50206473 NCOVBCUKAOHIPU-DZGCQCFKSA-N 348.358 3.264 30 40 EGEB Cc1cccc(NC(=O)[C@@H](C#N)C(=O)C2=Cc3ccccc3OC2)c1 103504115 JTXSJHKKGUUGOH-KRWDZBQOSA-N 332.359 3.118 30 40 EGEB CCOC(=O)CN1C(=S)N/C(=N\c2ccccc2)C12CCCCC2 12413322 DKPPRCDXEBVYOM-UHFFFAOYSA-N 345.468 3.173 30 40 EGEB C/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 100480864 DGDCJMBPLINRKY-DHDCSXOGSA-N 345.271 3.247 30 40 EGEB CCOP(=O)(OCC)/C(C#N)=N/OC(=O)Nc1ccccc1 2266461 OMBRUJADSCKGAU-FOWTUZBSSA-N 325.261 3.338 30 40 EGEB N#Cc1ccc(C(=O)c2cccc(I)c2)cc1 2392629 IFJKUYPPLVHWGX-UHFFFAOYSA-N 333.128 3.394 30 40 EGEB CCOc1cc(/C=N\c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)O 409053389 CFZRECOZCMXUCX-ZDLGFXPLSA-N 344.323 3.208 30 40 EGEB Cc1ccc(S(=O)(=O)/N=C(\O)[C@@H](C)OCc2ccccc2)cc1 48422574 MKQFGXWVDLUTMC-CQSZACIVSA-N 333.409 3.246 30 40 EGEB CC(=O)Nc1ccc(/C(C)=N/OCC(=O)N[C@H]2CCCC[C@@H]2C)cc1 14397333 MNHOSFMCNXYHBR-NVVVNXCCSA-N 345.443 3.081 30 40 EGEB CC(C)[C@H](C#N)N1CCN(C(=O)CC(C)(C)c2ccccc2)CC1 68327946 YLCFVEGLQWLUMO-SFHVURJKSA-N 327.472 3.047 30 40 EGEB C[C@@H](NCc1nnc2n1CCC[C@@H]2C(F)(F)F)c1ccc(C#N)cc1 89904754 UWJGBQLJVYPEKF-RISCZKNCSA-N 349.360 3.440 30 40 EGEB Cc1cc(S(=O)(=O)/N=C(\O)c2ccc(C(F)(F)F)nc2)c(C)o1 97035221 DXIJICHKGJYGHB-UHFFFAOYSA-N 348.302 3.004 30 40 EGEB Cc1cc(C)n(Cc2cccc(C(=O)OCc3ccnc(C#N)c3)c2)n1 72314152 XFBWWUSYLWBHCZ-UHFFFAOYSA-N 346.390 3.172 30 40 EGEB N#CCCN(CC(F)(F)F)C(=O)c1nc(Cl)ccc1Cl 76092218 RTFKKYRTSPABMO-UHFFFAOYSA-N 326.105 3.307 30 40 EGEB N#Cc1cccc(S(=O)(=O)Nc2cc(CC3CCCCC3)[nH]n2)c1 79106543 NEOHESTXVBCRJB-UHFFFAOYSA-N 344.440 3.205 30 40 EGEB N#CC1(COC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)CCOCC1 97380198 QOWCQPGCGXQVCL-UHFFFAOYSA-N 345.786 3.207 30 40 EGEB Cc1cnn(C)c1/C=C/C(=O)c1nc(Br)sc1C 585136118 RAOIRGBWVNRNGO-SNAWJCMRSA-N 326.219 3.152 30 40 EGEB Cc1noc(C)c1-c1ccc(=O)n(Cc2ccc([C@H]3CO3)c(F)c2)c1 1772768862 VQHDSZCBMWYGEK-QGZVFWFLSA-N 340.354 3.379 30 40 EGEB CC[C@@H](CC#N)NC(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1 157615063 HUDJWHMVDIYUIL-AUADJRAKSA-N 333.335 3.128 30 40 EGEB C=CCN1C(=O)CCC12CCC(NC(=O)/C=C/c1cccs1)CC2 2055819288 LGOUYRVSNFTIAB-AATRIKPKSA-N 344.480 3.367 30 40 EGEB Cn1cc(C#N)cc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1 81729248 OETJDGDSXYFLEJ-UHFFFAOYSA-N 325.387 3.131 30 40 EGEB CCCCCCCNC(=S)N/N=C/c1ccc(OC)c(OC)c1 1685872 YPNAKTMHXXFUDV-CPNJWEJPSA-N 337.489 3.472 30 40 EGEB COC(=O)[C@@H](C)[C@H](NC(=O)Nc1cccc(C#N)c1)c1ccccc1 75106688 NOZCKJNBTINBHW-GUYCJALGSA-N 337.379 3.230 30 40 EGEB CC1(C)CC(NC(=O)[C@@]23CC[C@](C)(/C(=N/O)C2)C3(C)C)CC(C)(C)N1 100867677 NWZQLOQRFLXCRT-CJAKRPKWSA-N 349.519 3.458 30 40 EGEB C[C@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1ccc(C#N)cc1 56752487 UZTFMHIPNBXWJN-NSHDSACASA-N 334.335 3.439 30 40 EGEB CC1=C2[C@H]3OC(=O)[C@H](CN4CCC(C)CC4)[C@@H]3CC[C@@]2(C)C=CC1=O 12658249 ZJROUBPRRNRLJU-MNDZRTMASA-N 343.467 3.132 30 40 EGEB biogenic C=CCNC(=O)c1ccccc1NC(=O)/C=C/c1ccccc1OC 3315019 ZPPBPDDBLCMPCN-OUKQBFOZSA-N 336.391 3.263 30 40 EGEB N#Cc1cccc(C(=O)Nc2cccc(Cl)c2N2CCOCC2)c1 14806894 DLYAEZQZQLEKHH-UHFFFAOYSA-N 341.798 3.301 30 40 EGEB COc1ccccc1/C=N\Nc1cc(C)nc(-n2nc(C)cc2C)n1 30725606 JKJLHGBOKWUCPK-ODLFYWEKSA-N 336.399 3.042 30 40 EGEB N#Cc1cccc(CN2CC[C@@]3(CCC[C@H]3C(=O)N3CCCC3)C2)c1 247634199 CMUWENPYCUBDHO-FPOVZHCZSA-N 337.467 3.173 30 40 EGEB CCn1c(N/N=C/c2ccc(F)s2)nc(=O)c2c(C)cc(C)nc21 252496716 PPQANUPEMIKZQV-QGMBQPNBSA-N 345.403 3.075 30 40 EGEB C[C@H](Nc1ncc(C#N)c2ccsc12)c1nc(C(F)(F)F)n[nH]1 1652273809 ZWUFUCWALGSNDD-LURJTMIESA-N 338.318 3.478 30 40 EGEB C=CCNc1nnc(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)s1 5754125 YJPYNKIGPIQBCG-SECBINFHSA-N 345.453 3.226 30 40 EGEB C=CCNC(=O)c1cccc(NS(=O)(=O)c2cc(C)ccc2C)c1 7131044 HJGYBWWGJRWDMZ-UHFFFAOYSA-N 344.436 3.020 30 40 EGEB O=S(=O)(OC[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccc(Br)cc1 104146198 NOONLCDBDJYHHW-SRVKXCTJSA-N 343.242 3.367 30 40 EGEB C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CCCN(C)C1 52591733 JCEZBAANQMIDED-LBPRGKRZSA-N 327.881 3.193 30 40 EGEB COc1cc(C(=O)/C=C/c2ccccc2C)ccc1S(C)(=O)=O 57809974 TXVBUPFWTMBHQO-CSKARUKUSA-N 330.405 3.303 30 40 EGEB O=C1C/C(=N\N=c2\[nH]c(-c3cccc(O)c3)cs2)c2ccccc21 4186863 IJUOIRMCCFIGCW-HMMYKYKNSA-N 335.388 3.340 30 40 EGEB C[C@H](C/C(O)=N/S(=O)(=O)c1c(Cl)nc2ccccn12)C1CC1 69978850 ZRHGDAIRMKUPFZ-SECBINFHSA-N 341.820 3.069 30 40 EGEB N#Cc1ccc(CN2CCCN(c3ncc(Cl)s3)CC2)cc1 95468690 MMBQUQUVLFMMDS-UHFFFAOYSA-N 332.860 3.380 30 40 EGEB COc1ccc(C(=O)[C@H](C)C=O)c(OCc2ccccc2)c1OC 31720503 GTXLPEQSPUVEGQ-CYBMUJFWSA-N 328.364 3.301 30 40 EGEB COCc1cc(C)nc(N/N=C\c2ccc(C)c([N+](=O)[O-])c2)c1C#N 31844623 UWSWZZLARFHVSY-OCKHKDLRSA-N 339.355 3.071 30 40 EGEB CCCSc1nc(N)c(C#N)c(COc2cccc(OC)c2)n1 223692244 MHVXDOVRRMOTMU-UHFFFAOYSA-N 330.413 3.020 30 40 EGEB N#Cc1cnc(N2CCCN(Cc3cccs3)CC2)c(Cl)c1 69484566 LYOBKPYTMDHKHX-UHFFFAOYSA-N 332.860 3.380 30 40 EGEB COC(=O)CCn1nc(C)c(/C=C/C(=O)c2ccc(F)cc2)c1C 69419586 ORBSWARQOUZXOD-CMDGGOBGSA-N 330.359 3.098 30 40 EGEB Cn1ncc(NC(=O)O/N=C/c2c(F)cccc2Cl)c1Cl 160128 UBVVEAXPUVPRHS-YAXRCOADSA-N 331.134 3.449 30 40 EGEB O=C(Nc1cccc(/C=N/N2CCOCC2)c1)c1ccccc1Cl 8084051 VPPHBSBHPXHXJB-DEDYPNTBSA-N 343.814 3.258 30 40 EGEB CC/N=C1\S[C@@H](CC(=O)Nc2ccccc2Cl)C(=O)N1CC 13427588 NWECZMAWDSRFGK-JTFSYWPOSA-N 339.848 3.008 30 40 EGEB CC1(C)CC(=O)C2=C(C1)OC(=O)C[C@H]2C(=O)Nc1cccc(Cl)c1 8559659 OAGCAEHIUCIZOG-GFCCVEGCSA-N 347.798 3.485 30 40 EGEB CN1CC[C@@H](CNc2nccnc2C#N)[C@H]1c1ccc(Cl)c(F)c1 108487698 NDCYBQIRXPAXDO-BLLLJJGKSA-N 345.809 3.246 30 40 EGEB CNC(=O)[C@@H](C#N)C(=O)COc1ccc(Cl)cc1C1CCCCC1 102389121 CJZFEKHZOSWIQH-HNNXBMFYSA-N 348.830 3.221 30 40 EGEB CC[C@H]1c2ccsc2CCN1CC(=O)NC1(C#N)CCCCC1 9726797 ULLBBUNCZFVLPM-HNNXBMFYSA-N 331.485 3.400 30 40 EGEB Cc1nc([C@H]2CCCN(C(=O)c3ccc(C#N)cn3)C2)sc1C 72297459 KNTJLOKGHYZRDB-AWEZNQCLSA-N 326.425 3.046 30 40 EGEB CC(C)c1nc([C@H]2CCCN(c3ncc(C#N)cc3Cl)C2)no1 72285217 RLQKGUBSVVKTPG-LBPRGKRZSA-N 331.807 3.497 30 40 EGEB Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N[C@H](C#N)c1ccccc1Cl 95401900 VBWHWLXQXRVZEF-PIGZYNQJSA-N 344.846 3.250 30 40 EGEB C=CCNC(=O)c1ccccc1NC(=O)COc1cccc(Cl)c1 137310706 PYLHFMLGTXZFLW-UHFFFAOYSA-N 344.798 3.273 30 40 EGEB CCOCc1ccc(N[C@@H]2CCN(c3sccc3C#N)C2=O)cc1 81160297 LEKLQQJEMDELHJ-MRXNPFEDSA-N 341.436 3.374 30 40 EGEB N#CCCCCS(=O)(=O)N1CCc2cc(Cl)cc(Cl)c2C1 96460013 PUAQYJXCQRIYBN-UHFFFAOYSA-N 347.267 3.375 30 40 EGEB C=CCOC[C@H]1CC[C@@H]2[C@@H]1OCCN2C(=O)Nc1ccc(C)cc1 96082487 QKSMSGFCTCALOK-KBAYOESNSA-N 330.428 3.209 30 40 EGEB Cc1[nH]ncc1CCCNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 96429138 ZXSNYZQAASTNQR-UHFFFAOYSA-N 336.355 3.091 30 40 EGEB CC1(C)OB(c2cc(N)cc(OCc3ccccc3)c2)OC1(C)C 584592584 NXFIDVUVPAXKCS-UHFFFAOYSA-N 325.217 3.147 30 40 EGEB Cc1cc(CC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 675081474 DLMTWSYJBHXDOF-UHFFFAOYSA-N 332.249 3.178 30 40 EGEB COc1cc(/C=N/n2cnnc2)ccc1OCc1ccc(Cl)cc1 3273821 RJZDSKYZCAMIAB-ZVBGSRNCSA-N 342.786 3.401 30 40 EGEB O=C1Nc2c(cccc2C(F)(F)F)/C1=N/Nc1ccc(C(=O)O)cc1 17643604 UMGHJJGGBYJCFJ-UHFFFAOYSA-N 349.268 3.172 30 40 EGEB C[C@@H]1CN(c2oc(COc3ccc(Cl)cc3)nc2C#N)C[C@@H](C)O1 108712 LDWGQSSRGZBPHO-VXGBXAGGSA-N 347.802 3.392 30 40 EGEB N#Cc1ccccc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 9064349 XTFDWXDBLUWSJG-UHFFFAOYSA-N 336.351 3.319 30 40 EGEB N#Cc1ccc(OCCOC(=O)c2cnc(Cl)c(Cl)c2)cc1 44507868 DIAIAPPKZXORHS-UHFFFAOYSA-N 337.162 3.496 30 40 EGEB C=CCOc1ccc(CN(C)CC(=O)Nc2cccc(C#N)c2)cc1 3398964 HXRRRLDDTGQRNP-UHFFFAOYSA-N 335.407 3.194 30 40 EGEB C=CCn1c(SCc2nnc(C)o2)nnc1-c1ccccc1OC 12860505 DKDRKOQKBUPWHI-UHFFFAOYSA-N 343.412 3.123 30 40 EGEB CCOc1ccccc1/C=N/NS(=O)(=O)c1ccc(Cl)cc1 5475981 FASGHMHVVGZEQB-GZTJUZNOSA-N 338.816 3.051 30 40 EGEB CCOc1ccc(C#N)cc1NC(=O)CC1(C(=O)O)CCCCC1 67456716 RGYWKGLXPHEFGZ-UHFFFAOYSA-N 330.384 3.321 30 40 EGEB CC(=O)Nc1ccc(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1 7666757 SEQBGIHFXPGKDM-UHFFFAOYSA-N 348.362 3.461 30 40 EGEB N#C[C@H](NC(=O)Cc1ccccc1Br)c1ccsc1 71847776 FADQCBXMCQUUNR-ZDUSSCGKSA-N 335.226 3.434 30 40 EGEB N#Cc1ccc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2)nc1 95393177 BCRHNKNPZUWRJG-UHFFFAOYSA-N 341.330 3.265 30 40 EGEB CC[C@@H](C)n1nccc1NC(=O)[C@@H](C)Sc1cc(C#N)ccn1 95401152 JKDIKALNVIENRU-VXGBXAGGSA-N 329.429 3.240 30 40 EGEB O=c1ccccn1C[C@H](/N=C(/O)Cc1ccccc1O)c1ccccc1 330032914 URQWDXWKNRZLNW-SFHVURJKSA-N 348.402 3.494 30 40 EGEB N#C[C@@H]1CCCC[C@H]1OC(=O)CCN1C(=O)CCc2cc(F)ccc21 96441996 ZJJNQXMLKNEZEG-WMLDXEAASA-N 344.386 3.121 30 40 EGEB CC(C)[C@@H]1N(S(=O)(=O)Cc2cccc(C#N)c2)CC12CCCC2 333060910 IHWNALFHPGGBGI-KRWDZBQOSA-N 332.469 3.289 30 40 EGEB COC(=O)c1sc2ncc(/C=C/C(=O)c3cnn(C)c3)cc2c1C 68723004 XXOITUSXBGXQCR-SNAWJCMRSA-N 341.392 3.021 30 40 EGEB C/C(=C\CC[C@H](C)C1=CC[C@]2(C)OC3=C(C[C@H]12)C(=O)[C@@H](O)CC3)CO 33955878 KOATXBNOVXBDJE-GMOSXKBTSA-N 346.467 3.445 30 40 EGEB biogenic,in-vitro Cc1cccc(NC(=O)C[C@@H]2S/C(=N/C3CCCCC3)NC2=O)c1 12462816 NKGLBDMKNKWKRR-HNNXBMFYSA-N 345.468 3.244 30 40 EGEB C=CCn1c(=O)c(C(=O)Nc2ccc(F)cc2)c(O)c2ccccc21 100513776 SWQCNTHRKYNEMM-UHFFFAOYSA-N 338.338 3.285 30 40 EGEB Cc1ccc(NC(=O)COC(=O)c2ccc(C#N)cc2F)c(C)c1 8369120 XORHOVMKFDDQEI-UHFFFAOYSA-N 326.327 3.110 30 40 EGEB CN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 102926730 DDIUOUKKDHJDBK-IDTYTIONSA-N 327.767 3.392 30 40 EGEB COc1ccc([C@H]2[C@@H](C(C)C)C(=O)CC(C#N)(C#N)C2(C#N)C#N)cc1 506981 ROFNYPZDFRHARM-ROUUACIJSA-N 346.390 3.091 30 40 EGEB Cc1cc(C[C@H](C)NC(=O)Nc2ccc(OC(C)C)c(C#N)c2)n[nH]1 119669585 BQANLAFSCNOBSS-LBPRGKRZSA-N 341.415 3.130 30 40 EGEB O=[N+]([O-])c1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1 409039396 WLGITDKLSNTBAE-DVZOWYKESA-N 333.163 3.309 30 40 EGEB C[C@H](Oc1ccc(C#N)cc1)/C(O)=N/c1ncn(Cc2ccccc2)n1 58159242 XENUASBJVIUSAL-AWEZNQCLSA-N 347.378 3.254 30 40 EGEB Cc1cc(C(=O)OCC(=O)Nc2cc(Cl)ccc2C#N)c(C)o1 3320036 DVLKKXXIBIXLRL-UHFFFAOYSA-N 332.743 3.217 30 40 EGEB Cc1nc(C)c(C#N)c(S[C@@H](C)C(=O)Nc2cccc(F)c2)n1 12778418 IOBGHQXNSRRVEQ-JTQLQIEISA-N 330.388 3.224 30 40 EGEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(C)o1 408793934 GRNJSFHGIGJUFB-MRXNPFEDSA-N 335.359 3.329 30 40 EGEB N#C[C@H](C(=O)COc1ccc(Cl)cc1)c1nc2ccccc2[nH]1 4312212 ZEXBXSOJOQEMSQ-CYBMUJFWSA-N 325.755 3.472 30 40 EGEB CC[C@H](C)[C@@H](C)N(C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)C1CC1 65593225 WVWYVFKCJFQLNW-SWLSCSKDSA-N 343.471 3.222 30 40 EGEB C#CCOc1ccc(N(C)C(=O)c2ccc(-c3nc(C)no3)cc2)cc1 69774209 FUWAEJGXSIEDAG-UHFFFAOYSA-N 347.374 3.334 30 40 EGEB N#Cc1ccc(Cl)cc1N1CCC(C(N)=O)(c2ccccc2)CC1 71914524 PIYKRNFDKZTVAK-UHFFFAOYSA-N 339.826 3.235 30 40 EGEB N#Cc1cc(C(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c[nH]1 97082336 MEWMMSUBVJHMHN-HNNXBMFYSA-N 349.312 3.119 30 40 EGEB Cc1cc(C)c(C#N)c(N2CCCN(C(=O)OC(C)(C)C)CC2)n1 22115441 DSLQUAJFYUPUJQ-UHFFFAOYSA-N 330.432 3.017 30 40 EGEB CN(C)c1ccc(Cl)cc1NC(=O)Nc1ccn(CCC#N)n1 186605564 VDRTZHBRMPFDJO-UHFFFAOYSA-N 332.795 3.160 30 40 EGEB N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccnc(C2CC2)n1 610598448 GFOIGOGCSVYMRU-AEFFLSMTSA-N 332.407 3.266 30 40 EGEB COc1cccc([C@@H]2CCCN2C(=O)COc2ccc(C#N)cc2)c1 11142655 JHYBULNVYUFWDG-IBGZPJMESA-N 336.391 3.309 30 40 EGEB COc1ccc(-c2nnc(CN(CC#N)Cc3ccccc3)o2)cc1 65565567 JGGUGDXHVRUBJV-UHFFFAOYSA-N 334.379 3.271 30 40 EGEB Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=C1C=CC(=O)C=C1 4866117 GVMBIQWEOBIDNP-UHFFFAOYSA-N 347.399 3.333 30 40 EGEB Cc1cc(NCC(=O)N[C@](C)(C#N)C(C)C)ccc1Br 15292978 SKCMQZHZWJCLEX-OAHLLOKOSA-N 338.249 3.224 30 40 EGEB CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1c1nc(C#N)c(N2CCOCC2)o1 8915987 LJMPDXBGTWWXJV-CABZTGNLSA-N 342.226 3.441 30 40 EGEB N#Cc1cc(C(=O)Nc2nc(-c3cccc4ccccc34)n[nH]2)c[nH]1 97234024 YCUMDLCXIIAEDL-UHFFFAOYSA-N 328.335 3.077 30 40 EGEB COc1ccc(C)cc1CCNC(=O)Nc1nn(C(C)C)cc1C#N 95434534 XKHSPQFRSWEMBI-UHFFFAOYSA-N 341.415 3.017 30 40 EGEB N#Cc1cccc(C(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 78814882 ZACMWMOGSHLPJQ-UHFFFAOYSA-N 349.302 3.478 30 40 EGEB CCOc1cccc([C@@H]2[C@@H](C#N)C(=O)Nc3nc4ccccc4n32)c1 20637725 LFILRDPQTIOVOW-RHSMWYFYSA-N 332.363 3.116 30 40 EGEB N#Cc1cc2c(nc1NC(=O)Cc1cc(F)c(F)cc1F)CCCC2 122044009 CEZPDXJFIRFDBS-UHFFFAOYSA-N 345.324 3.431 30 40 EGEB Cc1ccc(N2CCO[C@@H]2c2cn(Cc3ccc(C#N)cc3)nn2)cc1 216761717 SZORUMBDDGIABB-HXUWFJFHSA-N 345.406 3.042 30 40 EGEB C=CCO[C@@H]1CC2(CCN(C(=O)N(C)C)CC2)c2cc(F)ccc21 96241689 LKMUODSNHPBOCF-QGZVFWFLSA-N 332.419 3.488 30 40 EGEB Cc1ccc([C@H]2CCCN2C[C@H](O)CC2(C#N)CCOCC2)cc1 599247756 FLXRISYLCZDHIG-RTBURBONSA-N 328.456 3.203 30 40 EGEB C=CCn1c(SCc2ccccc2F)nnc1-c1cnccn1 524109 AGQKRGGQBIGXDH-UHFFFAOYSA-N 327.388 3.353 30 40 EGEB CCOc1ccccc1OCCCC(=O)O/N=C(\N)c1ccccc1 8429709 NTXWHODGMDJNAD-UHFFFAOYSA-N 342.395 3.108 30 40 EGEB Cc1cc(-c2csc(N=C(N)N)n2)c(C)n1Cc1cccs1 25043013 FIQOHJTVUDXQMD-UHFFFAOYSA-N 331.470 3.243 30 40 EGEB C[C@H](NC(=O)CO/N=C(\N)C1CCCC1)C12CC3CC(CC(C3)C1)C2 32932708 LWVXJZHGWFUSFU-IVKJLDKCSA-N 347.503 3.187 30 40 EGEB C=CCOc1ccccc1C(=O)Nc1nnc(C(F)(F)F)s1 29284892 MMQYVYNGGGOKQG-UHFFFAOYSA-N 329.303 3.374 30 40 EGEB CCCn1c(=O)n(CCC(=O)Nc2ccccc2C#N)c2ccccc21 57571219 DNGSYGBAISOUTP-UHFFFAOYSA-N 348.406 3.113 30 40 EGEB N#Cc1cccc(NC(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)c1 58244608 NOLXQOOMIYCPMF-HNNXBMFYSA-N 338.386 3.345 30 40 EGEB C#CCC(C)(C)OC[C@H](O)CN1CCC(Cc2ccccc2)CC1 28295200 ZGBRVVHTBITITD-HXUWFJFHSA-N 329.484 3.121 30 40 EGEB Cc1ccc(OCC(=O)Nc2ncccc2OCCCC#N)cc1C 69591954 BIDDXIJLHZGDFQ-UHFFFAOYSA-N 339.395 3.399 30 40 EGEB C[C@H](Sc1nc2ccccc2[nH]1)C(=O)NC1(C#N)CCCCC1 6908431 NLIDURCUYPABRA-LBPRGKRZSA-N 328.441 3.386 30 40 EGEB COCCn1c(SCCCC#N)nc2cc(Cl)ccc2c1=O 9354175 AVSWDWRSZYAQKR-UHFFFAOYSA-N 337.832 3.092 30 40 EGEB C[C@H]1C[C@@]2(C)C(=CC1=O)CC[C@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)C[C@H](O)[C@@H]12 118934954 QYTBFAIVLHMSQG-YEYOAGGMSA-N 332.484 3.486 30 40 EGEB CCOc1ccc(/C=N/c2cccc(-c3n[nH]c(=N)s3)c2)cc1O 408718351 LQYKDSNLWQNARA-VXLYETTFSA-N 340.408 3.473 30 40 EGEB CCOc1ccc(S(=O)(=O)Nc2cccc(C#N)c2)cc1Cl 74935404 BJTALCIBSRHYKG-UHFFFAOYSA-N 336.800 3.411 30 40 EGEB CN(C)C1(CNc2ccc(C(F)(F)F)cc2C#N)CCOCC1 96466610 WPMSBEKDTABNBB-UHFFFAOYSA-N 327.350 3.100 30 40 EGEB Cc1nnc(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)s1 96502790 NBLGDLDGLYBGOO-UHFFFAOYSA-N 340.433 3.377 30 40 EGEB N#Cc1nn(-c2ccccc2F)nc1N1CC[C@H](c2ccccc2)C1 256047530 MZIUZUCFFLBYPD-HNNXBMFYSA-N 333.370 3.272 30 40 EGEB N#CC1(C(=O)Nc2cccc(CN3CCSCC3)c2)CCCC1 58289953 NLEYGTPZIAEHNK-UHFFFAOYSA-N 329.469 3.258 30 40 EGEB O=C1[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C(=O)N1/N=C/c1c(O)ccc2ccccc12 3057249 FGSNUPZWVPHNII-WQZJSGDVSA-N 346.386 3.077 30 40 EGEB Oc1ccc(/C=N\n2c(S)nnc2-c2ccc(Cl)cc2)cc1 1305816 NENRBIJBQMFWHH-MFOYZWKCSA-N 330.800 3.475 30 40 EGEB C/C(=N\Nc1ccccc1[N+](=O)[O-])c1ccc(N2CCOCC2)cc1 5163143 NSWACQRWOQRBDV-XMHGGMMESA-N 340.383 3.268 30 40 EGEB C=CCn1c(S)nnc1-c1sc(NC(=O)C2CCCC2)nc1C 26297677 OBYDZQOAERUWFV-UHFFFAOYSA-N 349.485 3.313 30 40 EGEB COc1ccc(NC(=O)C[n+]2cc(-c3ccccc3)n3c2CCC3)cc1 17209507 NJPBUGRCPVGEMM-UHFFFAOYSA-O 348.426 3.036 30 40 EGEB COc1ccc2c(c1)CCN1C3=C(C(=O)CCC3)/C(=N/O)[C@H](C)[C@@H]21 100743962 XSIADMNIROSUHT-CUJAVGSNSA-N 326.396 3.081 30 40 EGEB biogenic C[C@@H]1S/C(=N/N=C/c2ccco2)N(Cc2ccc(F)cc2)C1=O 4939295 PUNDVMYMRBBBEF-JVGDJSOHSA-N 331.372 3.273 30 40 EGEB C=CCN(C(=O)CC)c1nc(C(F)(F)F)c(C(=O)OCC)s1 22637617 JJAUINWYEGKOAK-UHFFFAOYSA-N 336.335 3.268 30 40 EGEB N#C[C@@H]1C(=O)Nc2nc3ccccc3n2[C@H]1c1c[nH]c2ccccc12 20638135 NTFJNFIFVFWGLA-YVEFUNNKSA-N 327.347 3.199 30 40 EGEB CCOC(=O)[C@@](C#N)(CCN(C)C)c1csc2ccc(C)cc12 2049126 OITLBMGNMSSCEX-GOSISDBHSA-N 330.453 3.486 30 40 EGEB C=CCN(CCc1ccccc1)C(=O)c1ccc(Cn2cncn2)cc1 58183009 KWYAVIWCAOXTCW-UHFFFAOYSA-N 346.434 3.197 30 40 EGEB Cc1oc(-c2ccccc2)nc1CCNC(=O)c1cccc(C#N)c1 62576079 HYYWMYOLKZFANV-UHFFFAOYSA-N 331.375 3.494 30 40 EGEB N#Cc1ccccc1N1CCCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 65497263 PJYMLKCAVJJBQX-UXHICEINSA-N 345.446 3.401 30 40 EGEB CCc1c(C(=O)N(CCC#N)Cc2cccnc2)[nH]c(C)c1C(C)=O 69493842 VBNKXDFADVDJBT-UHFFFAOYSA-N 338.411 3.039 30 40 EGEB COc1ccc(C(C)=O)cc1CO/N=C/c1ccc(NC(C)=O)cc1 14355290 MMMOURYTDOCWHO-RGVLZGJSSA-N 340.379 3.407 30 40 EGEB COc1ccc(-c2c(C)sc(NC(=O)CCC(=O)O)c2C#N)cc1 5677801 BAVSOPFBLCRPJF-UHFFFAOYSA-N 344.392 3.407 30 40 EGEB C[C@H](OC[C@@H]1CCCO1)C(=O)[C@@H](C#N)c1nc2ccccc2s1 69740600 HGCCJUWXCFPTAZ-RWMBFGLXSA-N 330.409 3.057 30 40 EGEB CCOc1cc(Cl)ccc1NC(=O)Nc1ccn(CCC#N)n1 97014635 QYBAAYKZQIEIID-UHFFFAOYSA-N 333.779 3.493 30 40 EGEB Cc1ccc(C2(CNC(=O)c3cccc(C#N)c3)CCOCC2)cc1 68168601 CQUUGBMCLPMTIU-UHFFFAOYSA-N 334.419 3.345 30 40 EGEB Cc1ncsc1CN(C)C[C@@H]1CCN(c2ccc(F)cc2C#N)C1 225603408 GPPXODPCJHRTLI-AWEZNQCLSA-N 344.459 3.421 30 40 EGEB Cc1nc(CS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cs1 191727243 APVLKQCWVKAYNZ-UHFFFAOYSA-N 346.355 3.316 30 40 EGEB C=CCc1cc(C(=O)Nc2ccccc2C(=O)OC)ccc1OC 14400786 VHXBEXKHAFWGDF-UHFFFAOYSA-N 325.364 3.463 30 40 EGEB C=CCNC(=O)COc1ncnc2scc(-c3ccc(F)cc3)c12 2627279 VEWIVNMMJWOQJL-UHFFFAOYSA-N 343.383 3.178 30 40 EGEB N#C[C@@H]1Cn2c(nc3c(c2=O)C2(CCCC2)Cc2ccccc2-3)S1 187120 IFGXGQPWAMQGSM-CYBMUJFWSA-N 335.432 3.276 30 40 EGEB COc1ccc(-c2nc(NCc3ccc(C)cc3)[nH]c(=O)c2C#N)cc1 40544161 ARVLUCVFWOJJHU-UHFFFAOYSA-N 346.390 3.238 30 40 EGEB O=C(/C=C1\Nc2ccc([N+](=O)[O-])cc2OC1=O)/C=C/c1ccccc1 100476751 JTXVFZKNMFPVBU-JCBYOESDSA-N 336.303 3.092 30 40 EGEB COc1ccc(C(=O)/C=C/Nc2ccc3c(c2)OCCO3)cc1OC 44843600 UBPGQDXYZIYSHK-BQYQJAHWSA-N 341.363 3.284 30 40 EGEB Cc1cc(C)c(C#N)c(S[C@H](C(=O)N(C)C)c2ccccc2)n1 6980658 RIEQKGNLSHDZBX-INIZCTEOSA-N 325.437 3.492 30 40 EGEB N#Cc1csc(CN2CCC(NC(=O)CC3CCCC3)CC2)c1 93321470 OLGFSOUHYWBADT-UHFFFAOYSA-N 331.485 3.281 30 40 EGEB CC(=O)N[C@@H](CC(=O)Nc1sccc1C#N)c1c(F)cccc1F 72296325 UDEDLWREEAISLD-ZDUSSCGKSA-N 349.362 3.104 30 40 EGEB C#CCOc1ccccc1CN1CCC[C@@H](c2nnc3ccccn23)C1 97032577 KFWVFXYNOKYADW-GOSISDBHSA-N 346.434 3.121 30 40 EGEB Cc1noc2c1[C@@H](c1ccc([N+](=O)[O-])cc1)C1=C(CCCC1=O)N2 72332311 SYHWNYHBUODQOM-OAHLLOKOSA-N 325.324 3.456 30 40 EGEB Cc1cc(C)nc([C@H](C#N)C(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)n1 96408008 WTJDQNMJDFJAAR-YNEHKIRRSA-N 327.334 3.352 30 40 EGEB N#Cc1ccc(CCN2CCC(C(=O)NCc3ccccc3)CC2)cc1 595286571 IAEXOMAFVIMFMT-UHFFFAOYSA-N 347.462 3.129 30 40 EGEB C[C@@H]1CCC[C@@H](C)N1C[C@H](O)Cn1cc(/C=N/O)c2ccccc21 4247654 SGYVGMPHVDOWDO-XVDLLDDLSA-N 329.444 3.073 30 40 EGEB C=C(C)Cn1cnc2c(oc3nc(C)c4c(c32)CC(C)(C)OC4)c1=O 12664659 IIOJXBILVJCFLR-UHFFFAOYSA-N 339.395 3.274 30 40 EGEB biogenic CSc1ccc([C@H]2C3=C(C[C@H](C)CC3=O)Nc3ncnn32)cc1 14607478 IBIXZFKSCIDTFR-QFYYESIMSA-N 326.425 3.268 30 40 EGEB Cc1nn(Cc2ncc(-c3cccc(Cl)c3)o2)c(=O)c(C#N)c1C 28189561 DHBGEIDCRLAOHI-UHFFFAOYSA-N 340.770 3.089 30 40 EGEB N/C(=N/C1CCCC1)SCC(=O)N1CCC[C@@H]1c1cccs1 29474206 DPHHGVAULRCRAG-CYBMUJFWSA-N 337.514 3.402 30 40 EGEB COc1cc([C@@H]2NN=C(c3ccccc3)S2)ccc1OCC#N 6127071 CNGSZZPHEAXBPW-QGZVFWFLSA-N 325.393 3.294 30 40 EGEB CC(C)CCO[C@@H](C)/C(O)=N/S(=O)(=O)Cc1ccc(F)cc1 58282045 ICUHSIRSBKMELR-LBPRGKRZSA-N 331.409 3.063 30 40 EGEB N#C[C@H](C(=O)[C@H]1COc2ccccc2O1)c1nc2ccccc2s1 2649192 JJUWRDQJHCJIJZ-IAQYHMDHSA-N 336.372 3.313 30 40 EGEB C[C@H](NC(=O)c1cc(C#N)cs1)c1ccc2c(c1)OCCCO2 96460060 KRPOJMHYGGIWEV-NSHDSACASA-N 328.393 3.272 30 40 EGEB COc1ccccc1[C@H](C#N)NC(=O)CSc1ccc(F)c(F)c1 65552655 WYLDEKNXDLVORA-HNNXBMFYSA-N 348.374 3.447 30 40 EGEB CN(CC(=O)NC1(C#N)CCCCC1)Cc1c(F)cccc1Cl 14197558 CQCCZEJYPFNJJZ-UHFFFAOYSA-N 337.826 3.254 30 40 EGEB N#C[C@H](NC(=O)c1ccc2nncn2c1)c1cccc(Cl)c1Cl 66394538 NFNMLHVYKVTLCQ-LBPRGKRZSA-N 346.177 3.031 30 40 EGEB COc1ccc(CCNC(=O)N(C)Cc2ccc(C#N)cc2)cc1F 170876649 FGTXMGNUIXEVLP-UHFFFAOYSA-N 341.386 3.090 30 40 EGEB Cc1oc(C)c(C(=O)O[C@@H](C)C(=O)Nc2sccc2C#N)c1C 8420990 SDRPFXBLFXZHRP-NSHDSACASA-N 332.381 3.322 30 40 EGEB COc1ccccc1[C@@H](C#N)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] 97032541 OPIWJBXGSCBTEL-CYBMUJFWSA-N 345.742 3.251 30 40 EGEB CC(C)(C#N)c1ccccc1Cn1cc(Br)ccc1=O 89620912 BRRCZRZCZGIUFP-UHFFFAOYSA-N 331.213 3.460 30 40 EGEB FC(F)(F)C(F)(F)C(F)(F)N/N=C\c1ccc2c(c1)OCO2 409034797 ODWHNSVZQXYIPM-PVOVUMCXSA-N 332.175 3.129 30 40 EGEB Cc1csc(C(=O)N2CCC(COc3cc(C#N)ccn3)CC2)c1 1775995818 KJJVLVURQGRBTN-UHFFFAOYSA-N 341.436 3.254 30 40 EGEB O=C1C(Cl)=C/C(=N\S(=O)(=O)c2ccccc2)c2ccccc21 3124103 UZFYJDSIBAZRIC-OBGWFSINSA-N 331.780 3.184 30 40 EGEB CCOc1cccc(/C=N/CCc2ccc(OC)c(OC)c2)c1O 13119150 CCUKNOCAQYSSGM-DEDYPNTBSA-N 329.396 3.470 30 40 EGEB Cn1c(C(Cl)(Cl)Cl)ns/c1=N\Cc1ccccc1C#N 13402059 KWKSPSSACZVDCY-BOPFTXTBSA-N 347.658 3.281 30 40 EGEB CCCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(C)=O)cc1OCC 4560440 VJZJBAKQTCHYAX-KRWDZBQOSA-N 332.400 3.091 30 40 EGEB CN1C(=S)SC(C)(C)[C@H]1/[N+]([O-])=C/c1c(F)cccc1Cl 70477 YRYKSVAWKIVTBE-OWHAOFTHSA-N 332.853 3.477 30 40 EGEB CC(C)(C)OC(=O)[C@H]1CCCN1/C=C/C(=O)C(F)(F)C(F)(F)F 5383689 NEVCULJWYTWTDH-BNICOGTQSA-N 343.292 3.073 30 40 EGEB C#CCn1/c(=N/C(=O)c2ccccc2)sc2cc(NC(C)=O)ccc21 100875788 PSIJTCKFMAFESY-VZCXRCSSSA-N 349.415 3.036 30 40 EGEB C#CCN1C(=O)[C@](O)(CC(=O)c2c(C)cc(C)cc2C)c2ccccc21 316523 DKQPMVUUFUIDCP-QFIPXVFZSA-N 347.414 3.052 30 40 EGEB N#CC1(NC(=O)CNc2ccccc2OC2CCCC2)CCCC1 55874017 AVBVMGRCMNYBHV-UHFFFAOYSA-N 327.428 3.372 30 40 EGEB Cc1cc(C#N)ccc1OCC(=O)Nc1ccccc1OC(F)F 58172699 YUAYFNWOQFSHOM-UHFFFAOYSA-N 332.306 3.486 30 40 EGEB COc1ccc2[nH]c3c(=O)n(/N=C/c4ccc(C)cc4)cnc3c2c1 4837463 SOPSRXORRGGVNZ-UFFVCSGVSA-N 332.363 3.077 30 40 EGEB CCOc1ccc(C#N)cc1NC(=O)N[C@H](C)c1c(C)nn(C)c1C 67680215 FNNRUKNZMMWJLF-LLVKDONJSA-N 341.415 3.190 30 40 EGEB COc1ncccc1C(=O)N1CCCC[C@H]1[C@H](C#N)c1ccccc1 76042154 AGYYEDGFBMHWCW-MSOLQXFVSA-N 335.407 3.392 30 40 EGEB Cc1cccn2cc(CC(=O)Nc3cc(C#N)cn3C(C)(C)C)nc12 75607174 WLCRUFSPTXCVMZ-UHFFFAOYSA-N 335.411 3.252 30 40 EGEB C/C(=N\N=C/N(C)S(=O)(=O)c1ccc(C)cc1)c1ccccc1 5495861 YYILCYXIUSOBQQ-GCRHKQRVSA-N 329.425 3.068 30 40 EGEB Cc1cc(N2CCCC2)ccc1NC(=O)COc1ccc(C#N)cc1 11771649 LCPQNLNNXREAFZ-UHFFFAOYSA-N 335.407 3.484 30 40 EGEB O=C(c1ccc2c(c1)OCCO2)C(F)(F)C(F)(F)C(F)(F)F 575357085 XTMYUNCJTJRSOI-UHFFFAOYSA-N 332.171 3.473 30 40 EGEB N#C[C@H](C(=O)CCSc1ccccc1F)C(=O)Nc1ccccn1 104055630 HBMICVQOSFXYJU-GFCCVEGCSA-N 343.383 3.050 30 40 EGEB Cc1ccc(CN(C)CC(=O)NC2(C#N)CCCCCC2)c(C)c1 24814198 ILOAQNLFPUZORB-UHFFFAOYSA-N 327.472 3.468 30 40 EGEB CN(C)CCOc1ccc(C(=O)/C=C/c2ccc(C(=O)O)cc2)cc1 58229895 CWGPGNSAZHVADP-LFYBBSHMSA-N 339.391 3.221 30 40 EGEB N#Cc1ccc(NC(=O)CN2CCC(Cc3ccccc3)CC2)cc1 3284280 OLLYQCKFNSEUTG-UHFFFAOYSA-N 333.435 3.451 30 40 EGEB COc1cccc(NC(=O)CCCOc2ccc(C#N)cc2OC)c1 36398451 MYXNYYPLLUPOEK-UHFFFAOYSA-N 340.379 3.373 30 40 EGEB COc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)O)ccc3C2=O)cc1 12879423 YAMNWOFORSYRRO-PKSBALPTSA-N 340.331 3.163 30 40 EGEB biogenic CCCCCNC(=O)[C@H](C#N)c1nc2ccccc2nc1OC(C)C 5030708 HMFBJAUHRWHSFY-CQSZACIVSA-N 340.427 3.331 30 40 EGEB CC1(C)C[C@@]2(CCO1)/C(=N/c1ccccc1)N=C(S)N2CC#N 18067076 VFKUELPTCOWTMI-KRWDZBQOSA-N 328.441 3.169 30 40 EGEB N#CCOc1ccccc1/C=C1/S/C(=N/c2ccccc2)NC1=O 4694913 FOYBTEQJCDIYCP-FOWTUZBSSA-N 335.388 3.481 30 40 EGEB COc1cc(OC)c(/C=N/OCc2ccccc2C#N)c(OC)c1 408597150 XNFIPHDZOWLTOW-RGVLZGJSSA-N 326.352 3.135 30 40 EGEB CSc1nc(NCCO)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 7995294 RAEFFHIRLOZNRZ-UHFFFAOYSA-N 342.468 3.439 30 40 EGEB N#Cc1ccccc1-c1ccc(Cn2nc3ccccn3c2=O)cc1 71875441 WEKZDDVSJXRYKH-UHFFFAOYSA-N 326.359 3.083 30 40 EGEB COCC(=O)Nc1cccc(CNc2cc(Cl)ccc2C#N)c1 72290330 WWVYBTFKDISIBJ-UHFFFAOYSA-N 329.787 3.409 30 40 EGEB COc1cc(C(=O)O)ccc1N/N=C1/CCCc2cc(O)ccc21 95975428 BWYQAPWTQFJWCB-CYVLTUHYSA-N 326.352 3.252 30 40 EGEB CC1CCN(c2nn(-c3ccc(Br)cc3)nc2C#N)CC1 256049179 YPZOAWXNRMKLKA-UHFFFAOYSA-N 346.232 3.138 30 40 EGEB C#CCOc1cccc([C@@H](C)NC2CCN(Cc3ccccn3)CC2)c1 1616018995 BXVJIAXCAKUXCM-GOSISDBHSA-N 349.478 3.409 30 40 EGEB CC1(C)CC(NC2=C(Cl)C(=O)c3ccccc3C2=O)CC(C)(C)N1 102132318 JNAYGWXYPRJFMF-UHFFFAOYSA-N 346.858 3.415 30 40 EGEB CCOc1ccc(OCCC(=O)OCc2cccc(C#N)c2)cc1 25039285 JWRQEYVSJLRMLJ-UHFFFAOYSA-N 325.364 3.469 30 40 EGEB Cc1nc2ccc(C(=O)N(CCC#N)Cc3cccnc3)cc2nc1C 58311476 UVHIDJOLMXWJHI-UHFFFAOYSA-N 345.406 3.198 30 40 EGEB N#Cc1ccccc1CN1CCC(C(=O)NCc2ccccc2)CC1 12820825 ILGXDGNMPAUQFB-UHFFFAOYSA-N 333.435 3.087 30 40 EGEB COC(=O)c1ccc(N2CCCC2)c(NC(=O)c2cccc(C#N)c2)c1 12800100 XCSOXZSKHBRSDB-UHFFFAOYSA-N 349.390 3.197 30 40 EGEB Cc1nc2ccc(Nc3ncnc4c3cnn4CCC#N)cc2s1 65519922 HEBILHCFVKQZDA-UHFFFAOYSA-N 335.396 3.402 30 40 EGEB COC(=O)c1cc(C#N)c(NC(=O)[C@H](C)Oc2cccc(C)c2)s1 69744710 FDODLMFIFRKUQX-NSHDSACASA-N 344.392 3.121 30 40 EGEB Cc1ccccc1OCc1nc(C#N)c(N2C[C@H](C)O[C@H](C)C2)o1 18116258 QXUHKKVFLBLWAA-OKILXGFUSA-N 327.384 3.047 30 40 EGEB N#Cc1ccc2nc(N[C@@H]3CCN(C(=O)C4CCCC4)C3)ccc2c1 92922427 CPMAGJXIMPKOBU-QGZVFWFLSA-N 334.423 3.309 30 40 EGEB CC(C)n1cc(C#N)c(NC(=O)NCc2ncc(-c3ccccc3)[nH]2)n1 96008002 RHBIOEYTJGRKJV-UHFFFAOYSA-N 349.398 3.047 30 40 EGEB N#CCCN(Cc1cccnc1)C(=O)Nc1ccc2c(c1)CCCO2 84425045 ASJSRDKFYVXVAX-UHFFFAOYSA-N 336.395 3.354 30 40 EGEB C[C@H]1C[C@H](Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C(=O)O1 95395942 BROHFMBWPDHMGX-SJCJKPOMSA-N 340.354 3.392 30 40 EGEB CS(=O)(=O)Cc1nc(-c2cn(CCC#N)c3ccccc23)cs1 78869096 JSQRVNRTEUXJJZ-UHFFFAOYSA-N 345.449 3.223 30 40 EGEB C=C(C)CN1CCN(C(=O)CSc2nccc3ccccc23)CC1 36741142 UPMYBANCPZZITF-UHFFFAOYSA-N 341.480 3.047 30 40 EGEB C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1C(=O)NCC[C@H]1C 194161128 ICKJWWZIEWEVCK-CZUORRHYSA-N 329.444 3.185 30 40 EGEB COc1ccc(Cc2noc(C3CN(c4ccccc4C#N)C3)n2)cc1 585133429 HYIRADOFLNWEGV-UHFFFAOYSA-N 346.390 3.144 30 40 EGEB C=C(C)C[C@@H](C)C(=O)NCc1snc(OC)c1Br 585127599 FBDYAJUNRDWDQQ-MRVPVSSYSA-N 333.251 3.133 30 40 EGEB COc1ccc([C@@H]2NC(=S)NC(C)=C2C(C)=O)c2ccccc12 5950315 AGTJHYXKFCZKKL-KRWDZBQOSA-N 326.421 3.230 30 40 EGEB COc1ccc(/C(C)=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 13575490 LGQWOKSOBNUYCG-YBEGLDIGSA-N 330.300 3.348 30 40 EGEB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=N\Nc1ccccc1C 100005665 LAXHHVNLBQUZCR-MNDPQUGUSA-N 337.339 3.094 30 40 EGEB Cc1ccc(C(=O)[C@@H](C#N)C(=O)[C@H]2COc3ccccc3C2)s1 100871542 IZZWLDZUOFBECB-KGLIPLIRSA-N 325.389 3.199 30 40 EGEB C=CCc1cc(OC)ccc1OC[C@@H](O)CN1C[C@H](C)C[C@@H](C)C1 4263712 UQCLISNAFXATMP-NUJGCVRESA-N 333.472 3.141 30 40 EGEB C[C@@]12[C@H]3O[C@@H]4CC[C@@H]5[C@H]4[C@@H]1[C@@H]1[C@H]4[C@@H]2[C@@H]2CC[C@@H](O3)[C@@H]2[C@@H]4[C@@](C)(C=O)[C@H]51 104294675 GLLJQNVYACDGFA-JMRLKZISSA-N 340.463 3.126 30 40 EGEB N#Cc1ccc(F)c(CNC(=O)N2CCO[C@@H](c3ccsc3)C2)c1 89768260 GSQSNPZEBQKIBL-MRXNPFEDSA-N 345.399 3.042 30 40 EGEB N#Cc1cccc(OCC(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)c1 48829657 GZJCXZGCIWMUMP-CQSZACIVSA-N 345.280 3.227 30 40 EGEB C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)Nc1ccc(CC#N)cc1 72313550 CYOTWZMDVVVFJK-QGZVFWFLSA-N 348.450 3.491 30 40 EGEB N#Cc1cc(C(F)(F)F)ccc1N1CCN(Cc2ccncc2)CC1 78990358 QPGKRCGOGBNJAW-UHFFFAOYSA-N 346.356 3.294 30 40 EGEB Cc1nnc(/N=C(\O)CN2CCC(Cc3ccccc3)CC2)s1 20427216 FMCDZNIZTPMBIU-UHFFFAOYSA-N 330.457 3.389 30 40 EGEB COc1cc(/C=N/O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 409223777 HOHSZRWUHGTNQX-DJKKODMXSA-N 348.786 3.483 30 40 EGEB CC(=O)N1CCC(=NOC(=O)c2ccc(Cl)cc2Cl)CC1 408603271 BTRAATZECRQZBG-UHFFFAOYSA-N 329.183 3.149 30 40 EGEB COc1cc(C#N)ccc1OCCCC(=O)Oc1ccc(C#N)cc1 40543509 JWUVTQPPFAIIGC-UHFFFAOYSA-N 336.347 3.203 30 40 EGEB COc1ccccc1NC(=O)Cn1c(C#N)cc(N)c1CCC(C)C 225860922 SYZZPGRZGSBCEJ-UHFFFAOYSA-N 340.427 3.178 30 40 EGEB C=CCN1CC[C@H](Sc2nnc(CCC3CCCCC3)o2)C1=O 225571285 QBTRBDJOXADQRG-AWEZNQCLSA-N 335.473 3.462 30 40 EGEB C=CCN(c1ccccc1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 224996491 IEWCFYBSLTUZOZ-UHFFFAOYSA-N 332.381 3.285 30 40 EGEB N#Cc1cccc(N2C[C@H](O)C[C@@H]2c2ccc(C(F)(F)F)cc2)n1 95973773 RJIGVWPTGKEXFQ-HUUCEWRRSA-N 333.313 3.284 30 40 EGEB CN(C)[C@@H](CNC(=O)c1cccc(C#N)c1)c1cc2ccccc2o1 575620049 IEKJTKDTOPPULC-KRWDZBQOSA-N 333.391 3.337 30 40 EGEB COc1cc(/C=N/n2cnnc2SCc2ccccc2)ccc1O 147616 MZFPMUQFBPWVJQ-VXLYETTFSA-N 340.408 3.167 30 40 EGEB Cc1nn(CCC#N)c(C)c1CCC(=O)N(C)Cc1ccccc1F 36739177 LARZSFPXIFMRHX-UHFFFAOYSA-N 342.418 3.144 30 40 EGEB Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](C)c1cccc(F)c1 13007011 GJVKENQJIJXNLN-ZDUSSCGKSA-N 342.418 3.363 30 40 EGEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccncc1 19855480 GXEZDNIXNUPTLX-GOSISDBHSA-N 340.423 3.393 30 40 EGEB C[C@@H](Nc1ccncc1NC(=O)c1cccc(C#N)c1)[C@H]1CCCO1 72288610 GYJCOVJODHCIOA-FZKQIMNGSA-N 336.395 3.185 30 40 EGEB C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)[C@@H](c2ccco2)C1 127085649 PEVYMOJVJYXUER-XJKSGUPXSA-N 337.379 3.090 30 40 EGEB COc1ccc(/C=N\OCC(=O)Nc2cc(C)ccc2C)cc1OC 38203190 VUNWJJJPXOTCOP-JAIQZWGSSA-N 342.395 3.310 30 40 EGEB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OC(C)=O)cc1C#N 225803147 OHESXUOZPFFHEV-SFHVURJKSA-N 332.400 3.407 30 40 EGEB CC(C)(C)c1nn(Cc2ccc(Br)cc2)c(N)c1C#N 225843221 BVRNGBDKNUPBRM-UHFFFAOYSA-N 333.233 3.445 30 40 EGEB COCC1(C/N=C(/O)Nc2ccc(C(=O)NC(C)C)cc2C)CCC1 330031777 DCJASIIPGOECSQ-UHFFFAOYSA-N 347.459 3.276 30 40 EGEB N#Cc1ccc(S(=O)(=O)/N=C(\O)C2CCCCC2)cc1Cl 71883891 JGMICLMXPAUAQV-UHFFFAOYSA-N 326.805 3.437 30 40 EGEB CC(=O)c1ccc2cc(OCC(=O)N[C@](C)(C#N)C3CC3)ccc2c1 79014868 JOLFDISREDHVJC-HXUWFJFHSA-N 336.391 3.230 30 40 EGEB C=CCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc(C)c1 13995752 ALGRCOGXEYPRPU-HNNXBMFYSA-N 338.407 3.317 30 40 EGEB Cc1c(Cl)cccc1NC(=O)COC(=O)c1ccc(/C=N/O)cc1 5978380 LTSPCCBSILWQJY-DJKKODMXSA-N 346.770 3.252 30 40 EGEB C=CCc1cc(CN2CCc3ccccc3[C@H]2CO)cc(OC)c1O 93455364 NQPCDZZNLZYPGJ-LJQANCHMSA-N 339.435 3.221 30 40 EGEB N#CC1(NC(=O)c2cnc(-c3ccc4c(c3)OCO4)s2)CCCC1 84490406 BCQYKNDELHJAJQ-UHFFFAOYSA-N 341.392 3.105 30 40 EGEB C=CCOc1ccc([C@H]2S[C@@H](C)C(=O)Nc3[nH]nc(C)c32)cc1 6678661 PVXIVXAAEVZHPR-XHDPSFHLSA-N 329.425 3.446 30 40 EGEB COC(=O)c1ccc(/C=C2\Oc3cc(OCC#N)cc(C)c3C2=O)cc1 6764475 ODFWCUYTAVIFSY-YVLHZVERSA-N 349.342 3.300 30 40 EGEB C=CCc1cccc(/C=N/n2cnc3c([nH]c4ccccc43)c2=O)c1O 4828206 DMZCTXPOJFFNDW-SSDVNMTOSA-N 344.374 3.194 30 40 EGEB COc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc(OC)c1O 7745402 SHDYISOMRJZPEK-HWKANZROSA-N 342.347 3.077 30 40 EGEB CCC(=O)Nc1ccc(C(=O)CSc2cc(C#N)ccn2)cc1 71918302 FGCSSVZBIHIMNG-UHFFFAOYSA-N 325.393 3.277 30 40 EGEB N#C[C@@H](c1nc2ccccc2nc1Cl)S(=O)(=O)c1cccs1 8844420 BLXLDFQAYBOBOG-NSHDSACASA-N 349.824 3.383 30 40 EGEB N#CC1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 97107270 ODIDRNRQSGWBDP-UHFFFAOYSA-N 339.804 3.102 30 40 EGEB CN1CCN(/C(S)=N/C(=N/c2ccccc2)c2ccccc2)CC1 36293411 PLLGLNSGUMMCGG-UHFFFAOYSA-N 338.480 3.298 30 40 EGEB C=CCN(CC=C)C(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccc(C)cc1 72238273 JANLWFQDFHRCTP-MJGOQNOKSA-N 326.440 3.105 30 40 EGEB N#Cc1cnccc1N1CC[C@@]2(NC(=O)C3CCCCC3)CCC[C@H]12 1069231754 RYFUNNPTYRMBNQ-ICSRJNTNSA-N 338.455 3.151 30 40 EGEB CCOC(=O)C1=C(C)O/C(=C\c2cccc(C(F)(F)F)c2)C1=O 16941057 QQVANPFGWIPMBV-WQLSENKSSA-N 326.270 3.483 30 40 EGEB CCOc1ccccc1/N=C1/NC(=O)/C(=C\c2cccn2C)S1 5376790 VNHITEFTHYAAKX-RVDMUPIBSA-N 327.409 3.315 30 40 EGEB N#Cc1c(N)n(CCc2ccccc2F)c2nc3ccccc3nc12 541510 CXJWZXXFPGWGOF-UHFFFAOYSA-N 331.354 3.420 30 40 EGEB COc1ccc(Cl)cc1NC(=O)COc1ccc(CC#N)cc1 47208912 CWICCVCVKDZSPS-UHFFFAOYSA-N 330.771 3.432 30 40 EGEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1cccc2ccccc12 100201115 KCWQNWPQOBZSRR-IJAJJJNQSA-N 342.398 3.227 30 40 EGEB N#Cc1ccc(NC(=O)N(Cc2ccncc2)C[C@@H]2CCCO2)cc1 58014560 JVSQMRFHMOHCSK-SFHVURJKSA-N 336.395 3.166 30 40 EGEB COc1cc(C(=O)[C@H](C#N)c2nnc(-c3ccccc3)n2C)ccc1C 58178739 BHWXKZGXQBJRPO-INIZCTEOSA-N 346.390 3.289 30 40 EGEB Cc1cc(F)ccc1NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 58245025 VCJDUGKXKUXRRT-UHFFFAOYSA-N 335.342 3.026 30 40 EGEB CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)C12CC3CC(CC(C3)C1)C2 10800862 PYHNIYYQNYZNLR-BEJULCTNSA-N 346.471 3.189 30 40 EGEB CSc1ccc(CN(C)C(=O)COc2ccc(C#N)cc2)cc1 6309816 QLFBWEQRWOLCOK-UHFFFAOYSA-N 326.421 3.318 30 40 EGEB Cc1ccn2c(=O)cc(COc3ccc(C#N)cc3Cl)nc2c1 14643102 SRYYQQQZSUGKKM-UHFFFAOYSA-N 325.755 3.107 30 40 EGEB C=CCN1C(=O)S/C(=C/c2cc3c(cc2OCC)OCO3)C1=O 409096365 JYECVHHYCRKBLJ-VGOFMYFVSA-N 333.365 3.036 30 40 EGEB N#Cc1cc(F)ccc1CN1CCC[C@H](c2noc(C3CC3)n2)C1 72299930 AEABCFLHUDIMJZ-AWEZNQCLSA-N 326.375 3.337 30 40 EGEB C=CCN1C(=O)/C(=C\c2c(O)ccc3ccccc23)C(C(=O)OC)=C1C 408892856 KFKHJNCAMSDEHL-ATVHPVEESA-N 349.386 3.404 30 40 EGEB C=CCOc1ccc(/C=C2\C(=O)N(CCC)C(C)=C2C(=O)OC)cc1 409196012 MHOFUMHUBGNCKN-LGMDPLHJSA-N 341.407 3.334 30 40 EGEB C[C@H](OC[C@H]1CCCO1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 72499561 IXBWKEBYTBHDMF-GXFFZTMASA-N 342.317 3.100 30 40 EGEB Cc1n[nH]c(C)c1[C@@H]1COCCN1C/C(O)=N/[C@H](C)c1cccs1 329072909 ZSZAGIYMMVNUOV-RISCZKNCSA-N 348.472 3.179 30 40 EGEB COc1ccc(S(=O)(=O)/N=C(\O)CC2=CCCCC2)cc1OC 96404647 GHSUTFIURSSRPP-UHFFFAOYSA-N 339.413 3.240 30 40 EGEB N#Cc1ccc(OCc2nccs2)c(I)c1 252491016 LIKIBUPWNSTASF-UHFFFAOYSA-N 342.161 3.198 30 40 EGEB N#Cc1ccc(N2CCC[C@@H](NC(=O)Cc3cccs3)C2)c(F)c1 68532486 LVGDOJQHMZFQNO-CQSZACIVSA-N 343.427 3.087 30 40 EGEB C[C@H]1CC(=O)C2=C(C1)Nc1nc(C(F)(F)F)nn1[C@@H]2c1ccco1 19959796 VIKLVZCYIYKGLL-JMCQJSRRSA-N 338.289 3.158 30 40 EGEB CCOC(=O)C1=C(C)O/C(=C/c2cccc(C(F)(F)F)c2)C1=O 1585308 QQVANPFGWIPMBV-XYOKQWHBSA-N 326.270 3.483 30 40 EGEB COc1cccc(N2CCN(Cc3ccc(C#N)cc3F)CC2)c1 30964248 AVULXGAMZBGBAH-UHFFFAOYSA-N 325.387 3.028 30 40 EGEB C=CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccc(OC)cc1 101231795 UYKVDGJKCUICCP-SELCWUDQSA-N 349.386 3.303 30 40 EGEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@@H]2c1ccccc1F 12348632 VROWFWQGPKMLPZ-CYBMUJFWSA-N 327.359 3.455 30 40 EGEB C#CCN1CCC(C(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 48264936 HSQFYVHZKGCGPD-ZDUSSCGKSA-N 338.373 3.228 30 40 EGEB Cc1c(C(=O)OCCOc2ccc(C#N)cc2)cnn1-c1ccccc1 12821244 TWAJKIIXEPAJRB-UHFFFAOYSA-N 347.374 3.288 30 40 EGEB C=CCNC(=S)NCCn1c2ccccc2c2c(C)cc(C)nc21 3764144 OBIFGBGYRZQFRH-UHFFFAOYSA-N 338.480 3.456 30 40 EGEB Cc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2CCC#N)cc1 14284917 LRZMBDIWOWUZOJ-SFHVURJKSA-N 348.406 3.065 30 40 EGEB C[C@@H](O)CCN(C)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 96481508 QTXWZPFOLNEDMI-CYBMUJFWSA-N 343.452 3.199 30 40 EGEB C#Cc1cc(F)c(NS(=O)(=O)Cc2ccccc2F)c(F)c1 97140376 PFSZMGOXZBRKEF-UHFFFAOYSA-N 325.311 3.027 30 40 EGEB CC(C)N1CCC(NC2CCC(Oc3ccc(C#N)cn3)CC2)CC1 97238396 WGXLYYFOBWQAJQ-UHFFFAOYSA-N 342.487 3.106 30 40 EGEB CCOc1cn(-c2ccccc2)nc1C(=O)[C@H](C#N)c1ccccn1 78411047 BAOUQVMYPSTXQN-OAHLLOKOSA-N 332.363 3.156 30 40 EGEB CC(C)Oc1ccc(NC(=O)C(C)(C)Br)cc1C#N 225786699 PLDCZFIYUCTARV-UHFFFAOYSA-N 325.206 3.457 30 40 EGEB N#Cc1cccc(NC(=O)CCn2ccnc2C(=O)c2ccccc2)c1 195562213 WPIFWKQAEJWKKE-UHFFFAOYSA-N 344.374 3.015 30 40 EGEB Cc1csc([C@@H](NS(=O)(=O)c2cc(C#N)ccc2C)C2CC2)n1 96428402 LMAWCOWZERFWFF-HNNXBMFYSA-N 347.465 3.061 30 40 EGEB CN(CC(=O)N[C@@H]1CCC(C)(C)c2ccccc21)c1ccc(C#N)cn1 63712898 LUGMCKNKNGNCAL-GOSISDBHSA-N 348.450 3.318 30 40 EGEB N#C[C@@H](C(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccc([N+](=O)[O-])cc1 71893863 LFAPMNDMHDFUQH-QGZVFWFLSA-N 349.346 3.433 30 40 EGEB C=CCNc1nnc(SCc2nnc(-c3ccccc3)o2)s1 5783073 QTYHNYFJKDEDNH-UHFFFAOYSA-N 331.426 3.478 30 40 EGEB C=CCn1c(=S)[nH]c2cc(C(=O)NCCCCC)ccc2c1=O 17322379 JQJVFFQHYPPBDQ-UHFFFAOYSA-N 331.441 3.165 30 40 EGEB O=c1c(Cl)c(N/N=C/c2ccc(F)cc2)cnn1-c1ccccc1 4966299 OFJUVCALDGRITQ-KEBDBYFISA-N 342.761 3.471 30 40 EGEB Cc1ccc(N2C[C@H](C(=O)Nc3sccc3C#N)CC2=O)c(F)c1 31876656 YYZCRINFWWOEAV-GFCCVEGCSA-N 343.383 3.059 30 40 EGEB COc1ccc(Cl)cc1/C(N)=N/OC(=O)C[C@@H]1C[C@@H]2CC[C@@H]1C2 102441410 GRGFNMNUSPLRPH-UTUOFQBUSA-N 336.819 3.338 30 40 EGEB COc1ccc(Cl)cc1/C(N)=N/OC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 105543963 GRGFNMNUSPLRPH-SRVKXCTJSA-N 336.819 3.338 30 40 EGEB Cc1nnc(NC[C@H](c2cccs2)N2CCCC2)c(C#N)c1C 58295792 USPFWQBTECXEDJ-OAHLLOKOSA-N 327.457 3.276 30 40 EGEB N#Cc1cccc(NC(=O)CN2C(=O)c3cccc4cccc2c34)c1 6128133 VFLIJZFOMWWSMO-UHFFFAOYSA-N 327.343 3.310 30 40 EGEB CC(C)c1cnc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)o1 69770152 WWBOEOCZQBBUAR-UHFFFAOYSA-N 338.455 3.378 30 40 EGEB O=C1NC(=NC(=O)c2ccc(Cl)cc2)S/C1=C\c1ccco1 409141161 HRGYJLMXLHJVIF-WQLSENKSSA-N 332.768 3.333 30 40 EGEB N#Cc1ccccc1N1CCC(NC(=O)CCOc2ccccc2)CC1 72298074 IEULVQDLMJUSPR-UHFFFAOYSA-N 349.434 3.112 30 40 EGEB Cc1nn(CC(F)(F)F)c(C)c1C/C(O)=N/c1nc(C(C)C)n[nH]1 95449246 VYRBFCLXXZUMEX-UHFFFAOYSA-N 344.341 3.134 30 40 EGEB CC[C@H](C)N1C(=O)S/C(=C/c2ccc(OCC#N)c(OC)c2)C1=O 409013480 AEPCWYXISOVZHK-KBVGCWLLSA-N 346.408 3.432 30 40 EGEB C=CCOC[C@]12CCCO[C@H]1CCN(C(=O)c1cc(C)oc1C)C2 96039659 PWQRROZWVPLXBA-PKOBYXMFSA-N 333.428 3.110 30 40 EGEB N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@H]1Cc2ccccc2O1 363572661 HTASWPIVOJAXSE-WSTZPKSXSA-N 332.403 3.288 30 40 EGEB C=CCc1cccc2c1OC(=O)C1=C(C)NC(C)=C(C(=O)OCC)[C@@H]12 19418597 LHMPJLNIINFMCJ-KRWDZBQOSA-N 339.391 3.132 30 40 EGEB NC(=O)[C@@H](NN=C(c1ccccc1)c1ccccc1)c1ccccc1 16953646 UYYDFBVZCVBSLP-FQEVSTJZSA-N 329.403 3.255 30 40 EGEB C=CCNc1nc(C(=O)OCc2nc3ccccc3nc2C)cs1 32738673 WROIKWYALJCRHW-UHFFFAOYSA-N 340.408 3.350 30 40 EGEB C=CCNC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1 10364013 TXCHDCDDVREJON-UHFFFAOYSA-N 344.436 3.020 30 40 EGEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N[C@H]2c2ccc(Cl)cc2)cc1 102927786 PIHRJTYTXMMHQA-IDTYTIONSA-N 327.767 3.358 30 40 EGEB COc1ccc2c(ccn2C/C(O)=N/c2nc(-c3ccccn3)n[nH]2)c1 53527687 MDAZEPZNEFXWJA-UHFFFAOYSA-N 348.366 3.118 30 40 EGEB N#Cc1ccc(OC(F)F)c(NC(=O)N[C@H](CO)c2ccccc2)c1 105036578 WUXWVNHQUCEFAK-CQSZACIVSA-N 347.321 3.015 30 40 EGEB COc1ccccc1C[C@@H](C#N)C(=O)Nc1ccc(OC)c(OC)c1 57523415 NDKDGZUIJJLTCD-AWEZNQCLSA-N 340.379 3.033 30 40 EGEB Cc1c(Br)cccc1CS(=O)(=O)CCCCC#N 90092805 FVMPJFMVJNGZLA-UHFFFAOYSA-N 330.247 3.366 30 40 EGEB COc1ccc(-c2nnc(SC[C@H](C#N)CCC#N)n2C)cc1 7205792 NTYRWARTRBFXBO-LBPRGKRZSA-N 327.413 3.026 30 40 EGEB C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cnc(N)c(Cl)c1 89893964 QLOSEUGJGFGWKQ-UHFFFAOYSA-N 346.774 3.054 30 40 EGEB C/N=C1/S/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)C(=O)N1C 408929165 HWZHJXRAACRTHS-CFYUHYMKSA-N 342.376 3.177 30 40 EGEB N=C1S/C(=C\c2ccc3c(c2)OCO3)C(=O)[C@H]1c1nccs1 135811726 AGKNFJBRKKSKCB-WGXGNSBCSA-N 330.390 3.290 30 40 EGEB N#Cc1ccc(N2CC[C@@H](Sc3nnc(C4CC4)s3)C2=O)cc1 74796456 WNZHTSNJZOZAHU-CYBMUJFWSA-N 342.449 3.185 30 40 EGEB N#Cc1ccc(N2CCC[C@H](C(=O)N3CCC(F)(F)CC3)C2)cc1 2298047644 LBZZOXDXJBGGGK-HNNXBMFYSA-N 333.382 3.032 30 40 EGEB O=C1N[C@H](c2ccccc2F)/C(=C(\O)c2ccc(Cl)cc2)C1=O 102892612 UWAKJUGIMPJUSW-SXWSKBOKSA-N 331.730 3.188 30 40 EGEB CCOc1ccc(/C=C/C(=O)C(C(=O)O)=C2SCCS2)cc1 3342768 ZEUXBWRZDTXUAY-VMPITWQZSA-N 336.434 3.444 30 40 EGEB N#C[C@@H]1c2cnn(-c3ccccc3)c(=O)c2N2c3ccccc3S[C@@H]12 28114899 XILLCCQHSBRLRU-YJYMSZOUSA-N 344.399 3.423 30 40 EGEB N#CCc1cccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)c1 69458007 MDBQCSUTDSVFPJ-KRWDZBQOSA-N 334.375 3.459 30 40 EGEB CO/N=C/c1ccc(OCc2ccc(C(=O)OC)cc2)c(OC)c1 17696406 RTOJXDGMFAZWEZ-YBFXNURJSA-N 329.352 3.041 30 40 EGEB C[C@H](C#N)CSc1ccccc1NCC(=O)NC1(C#N)CCCC1 69736974 SXXQKIFPTGYUHI-CQSZACIVSA-N 342.468 3.303 30 40 EGEB Cc1nc(SCC(=O)NCCc2cccs2)c(C#N)c(C)c1C 5702503 ULAWAQGMLHTEEO-UHFFFAOYSA-N 345.493 3.391 30 40 EGEB C=CCc1ccc(OCc2cc(=O)n3ccc(C)cc3n2)c(OC)c1 9502899 WLEHHBINAGHYFD-UHFFFAOYSA-N 336.391 3.319 30 40 EGEB CSc1nc2ncn(CC#Cc3ccc(Cl)cc3)c(=O)c2s1 85251051 SGYLGHUQEBSSNP-UHFFFAOYSA-N 347.852 3.280 30 40 EGEB C[C@@H](CC#N)N(C)C(=O)CSc1cccc(Br)c1 96487541 WAPVATRETXXHMN-JTQLQIEISA-N 327.247 3.302 30 40 EGEB CC1(C)CC(=O)C2=C(C1)N(CC(=O)O)C1=C(C2)C(=O)CC(C)(C)C1 5415049 XQCNSRFVAQIFSH-UHFFFAOYSA-N 331.412 3.063 30 40 EGEB O=[N+]([O-])c1ccc(/N=C(\Cl)c2cc(N3CCOCC3)ccn2)cc1 17424472 SASAHXVPGHGQHJ-MNDPQUGUSA-N 346.774 3.144 30 40 EGEB CC(C)(C)OC(=O)[C@@H]1C[C@H]1c1cccc(B2OC(C)(C)C(C)(C)O2)c1 202762040 GDOYCUWVGOONDT-JKSUJKDBSA-N 344.260 3.431 30 40 EGEB C#CCn1c([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc2ccccc21 7544895 VEYYGWMAENCBNB-AWEZNQCLSA-N 333.366 3.329 30 40 EGEB Cc1ccc(-n2c(N)c(C#N)c(-c3ccccc3)c(C#N)c2=O)cc1 343710 DWDWEGGEKMILES-UHFFFAOYSA-N 326.359 3.138 30 40 EGEB C[C@@H](CNC(=O)c1ccccc1-c1ccccc1C#N)Cn1cccn1 53544987 WTJPKQNQABDUKD-INIZCTEOSA-N 344.418 3.488 30 40 EGEB CC1CCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)CC1 58315519 YHERVZUAUQGPLZ-UHFFFAOYSA-N 329.419 3.172 30 40 EGEB COc1ccc(CN2C(=O)CS/C2=N\N=C\c2ccccc2)cc1 13598981 PTVSIGLSUZUGMF-IVUIJMHVSA-N 339.420 3.161 30 40 EGEB C=CCN1C(=O)[C@@](O)(CC(=O)c2ccc(C)o2)c2cc(Cl)ccc21 5324476 JMMWDLXQKDUUFU-GOSISDBHSA-N 345.782 3.235 30 40 EGEB N#Cc1ccc(NCCC(=O)NCc2ccncc2)cc1C(F)(F)F 67371116 XEWSCCGGAOFZBS-UHFFFAOYSA-N 348.328 3.090 30 40 EGEB O=C1CSC(=S)N1/N=C/C(Cl)=C/c1ccc([N+](=O)[O-])cc1 8775310 YTRNRQYDRKBIJX-XPYUXOTHSA-N 341.801 3.021 30 40 EGEB COC(=O)[C@H](N[C@@H](C)c1c(F)cccc1OC)c1cccc(C#N)c1 83032074 ZKMDLCGBCGKOFH-KPZWWZAWSA-N 342.370 3.271 30 40 EGEB CN(Cc1cccc(C#N)c1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 25293181 RZXPNTKSCVMXFX-UHFFFAOYSA-N 329.743 3.392 30 40 EGEB C=CCN(Cc1ccc(C#N)cc1)C(=O)CNc1ccccc1OC 72281804 QLQWZJPVOSVXJC-UHFFFAOYSA-N 335.407 3.194 30 40 EGEB O=S(=O)(Cc1ccccc1Cl)/N=C(\O)CCc1cccnc1 95443347 MBEMFUPRDRZJPU-UHFFFAOYSA-N 338.816 3.154 30 40 EGEB CCc1nnc(Nc2cccc(CN(C)C(C)=O)c2)c(C#N)c1CC 95411917 DEIGAQFMYVJGBC-UHFFFAOYSA-N 337.427 3.195 30 40 EGEB C=CCNc1nnc(SCc2nc(N)c3c(C)c(C)oc3n2)s1 89558695 GWTMXJAKIRJVBA-UHFFFAOYSA-N 348.457 3.164 30 40 EGEB Cn1nc(CN(C(=O)c2cccc(C#N)c2)C2CCCC2)c2c1CCC2 217911327 KGRJOSVTPNLALT-UHFFFAOYSA-N 348.450 3.365 30 40 EGEB COc1cc(OC)c(OC)cc1/C=C1/Oc2cc(O)ccc2C1=O 33318777 DQTMJIUNXVVYJR-REZTVBANSA-N 328.320 3.034 30 40 EGEB COc1ccc(-n2c(SCC#N)nc3ccsc3c2=O)cc1 32105207 VEGOAYFIBQEJCO-UHFFFAOYSA-N 329.406 3.071 30 40 EGEB N#Cc1cccc(C(=O)N2CCC(Oc3ccncc3Cl)CC2)c1 245015174 LOYBBOXDCYZRSS-UHFFFAOYSA-N 341.798 3.290 30 40 EGEB COc1cc(/N=N/c2ccccc2)cc(/C=N\N=C(/N)S)c1O 17885557 FCDHQZSWFCHEOA-QVSDVYIPSA-N 329.385 3.395 30 40 EGEB Cc1c(/N=C/c2nc3ccccc3[nH]2)c(=O)n(-c2ccccc2)n1C 100026873 DGPISMKSVMXLQS-UDWIEESQSA-N 331.379 3.111 30 40 EGEB N=C(N)N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 6882691 JHZKWRAHAGSAAA-DNTJNYDQSA-N 337.210 3.389 30 40 EGEB Cc1cccc(/N=C(\N)SCc2cc(=O)n3c(C)csc3n2)c1 29491328 AEDWUBKMUCEFFV-UHFFFAOYSA-N 344.465 3.252 30 40 EGEB C=CCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)CC 12322587 RFOVZSCVEMBVOU-UHFFFAOYSA-N 346.452 3.472 30 40 EGEB COCCN(C(=O)c1ccc(C#N)cc1)c1ccc(C(F)(F)F)cn1 10045220 WHRLUAPMTUECPK-UHFFFAOYSA-N 349.312 3.265 30 40 EGEB Cc1nc(-c2ccccc2)sc1Cn1nc(C)c(C)c(C#N)c1=O 58294785 LYJMEOMCTVKVIM-UHFFFAOYSA-N 336.420 3.212 30 40 EGEB N#CCCn1ncc2c(N[C@@H]3CCSc4ccccc43)ncnc21 65520136 QVOUPJIYPMZLKT-CQSZACIVSA-N 336.424 3.389 30 40 EGEB Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nccn2C)c1 5358674 JIVHIJZLHJSVPU-UHFFFAOYSA-N 328.441 3.076 30 40 EGEB Cc1ccc(NC(=O)[C@H](C)O/N=C/c2cccc([N+](=O)[O-])c2)cc1F 15332465 CXQGQYHDCLPDSN-NJDFMEINSA-N 345.330 3.420 30 40 EGEB C/C(=N\Nc1cccc(C(=O)O)c1)c1cccc(N2CCOC2=O)c1 96291692 ZAXZUIOEGVYFQI-XDHOZWIPSA-N 339.351 3.178 30 40 EGEB N#C[C@@]1(NC(=O)CCCC(=O)c2ccc(Cl)cc2)CCSC1 72286812 WTYWWKQFBHECDW-INIZCTEOSA-N 336.844 3.208 30 40 EGEB CN(CCOc1cccc(C#N)c1)C(=O)c1occc1Br 81535563 UICNIGAEJQLPRD-UHFFFAOYSA-N 349.184 3.065 30 40 EGEB COc1cc(/C=C2\SC(=N)[C@H](c3nccs3)C2=O)ccc1O 136054419 UPSVLOBIOCFVKV-ZPZDAZKLSA-N 332.406 3.275 30 40 EGEB CCC(CC)CN(CCC#N)C(=O)c1nnc2ccccc2c1O 96411229 SLFLDKNIBOCAKY-UHFFFAOYSA-N 326.400 3.127 30 40 EGEB N#Cc1ccccc1COc1cccc(C(=O)NCC(F)(F)F)c1 55193054 VKNHVNCVMUIFPW-UHFFFAOYSA-N 334.297 3.429 30 40 EGEB Cc1nccn1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 30696780 MRGQFBCBUUYRNU-UHFFFAOYSA-N 328.441 3.422 30 40 EGEB N#Cc1ccc(Nc2ccc3nc(N4CCOCC4)sc3c2)nc1 40489121 NBESVUHNQAGURB-UHFFFAOYSA-N 337.408 3.143 30 40 EGEB Cc1nn(Cc2coc(-c3ccc(Cl)cc3)n2)c(=O)c(C#N)c1C 31756636 JFVWKHDCHSRKAO-UHFFFAOYSA-N 340.770 3.089 30 40 EGEB N#Cc1cc([N+](=O)[O-])ccc1Nc1ccc(N2CCC(O)CC2)cc1 57929627 BMMGMOZJSDQMSI-UHFFFAOYSA-N 338.367 3.171 30 40 EGEB C[C@]1(c2ccccc2Cl)NC(=O)N(Cc2ccccc2C#N)C1=O 3363452 NBERISICVIVTSG-GOSISDBHSA-N 339.782 3.179 30 40 EGEB Cc1ccc(/C=C/c2nn(CN(CCC#N)CCC#N)c(=S)[nH]2)o1 14198139 GYNSSYJMIDVCGP-VOTSOKGWSA-N 342.428 3.099 30 40 EGEB Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1CNC(=O)OC(C)(C)C 575444432 GTIJGINYQCLVRQ-UHFFFAOYSA-N 347.264 3.319 30 40 EGEB O=C(NCC#CCN1CCc2ccccc2C1)c1ccc(Cl)s1 75165044 MDGAOOSQKBYTMW-UHFFFAOYSA-N 344.867 3.193 30 40 EGEB C=CCN(c1ccccc1F)S(=O)(=O)c1ccc(NC(C)=O)cc1 224894544 BFHSNCSBQMLVQH-UHFFFAOYSA-N 348.399 3.165 30 40 EGEB CC[C@H](c1ccc(F)cc1F)N1CCN(C[C@H](C#N)CCC#N)CC1 96435787 XEGLUJJNSZJOGY-HNAYVOBHSA-N 346.425 3.477 30 40 EGEB C[C@@H](N[C@H]1CCN(c2sccc2C#N)C1=O)c1ccc(F)c(F)c1 84647922 LVXVZYNVRXQSFR-BMIGLBTASA-N 347.390 3.354 30 40 EGEB COc1ccc(/C=C/C(=O)c2ccc(O[C@H](C)C(=O)O)cc2)cc1O 13361815 POGJTFSKEGKJDQ-AHAUYKDXSA-N 342.347 3.149 30 40 EGEB COc1ccccc1CN1CCC[C@H](COc2cc(C#N)ccn2)C1 1776009295 ZXLCMKXUYJGQRJ-KRWDZBQOSA-N 337.423 3.253 30 40 EGEB N#Cc1c(SCC(N)=O)nc2c(c1-c1ccc(Cl)cc1)CCC2 6615328 FWTRMMXLYYVARE-UHFFFAOYSA-N 343.839 3.340 30 40 EGEB CCOc1cccc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1O 7893735 GUBAKONWDVWQGL-CXUHLZMHSA-N 346.299 3.053 30 40 EGEB CNC(=O)[C@H](C#N)C(=O)COc1ccc(Cl)cc1C1CCCCC1 102389126 CJZFEKHZOSWIQH-OAHLLOKOSA-N 348.830 3.221 30 40 EGEB N#Cc1ccc(NC(=O)c2cc3c(=O)n4ccccc4nc3s2)cc1 426889 NDMISFFZAZNWMP-UHFFFAOYSA-N 346.371 3.033 30 40 EGEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1/N=C\c1cccc2ccccc12 100201117 KCWQNWPQOBZSRR-OUSVQVLXSA-N 342.398 3.227 30 40 EGEB C[C@@H]1CN([C@H](CNCc2cccc(C#N)c2)c2cccs2)CCO1 106907883 OQMCZLKPTLMEML-CRAIPNDOSA-N 341.480 3.171 30 40 EGEB C[C@H](NC(=O)COc1ccc(C#N)cc1)c1ccc(-n2ccnc2)cc1 12550955 YRIHVTZTNBKBIN-HNNXBMFYSA-N 346.390 3.000 30 40 EGEB C[C@H](N(C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C(C)(C)C 58195792 BUBPCLIMXDZFDA-AWEZNQCLSA-N 339.443 3.049 30 40 EGEB O=C(/C(=C(/S)NCc1ccco1)[n+]1ccccc1)c1cccs1 3377570 OSGWCDQLHWOEKO-UHFFFAOYSA-O 343.453 3.357 30 40 EGEB Cc1cc(C)n(C[C@@H](C)CNC(=O)c2ccccc2SCC#N)n1 48273106 BHFDEUIILFZPJZ-ZDUSSCGKSA-N 342.468 3.182 30 40 EGEB COc1cc(Cl)c(C)cc1NS(=O)(=O)c1cccc(C#N)c1 6328383 TUOIXUCGQMNVHA-UHFFFAOYSA-N 336.800 3.330 30 40 EGEB COc1ccc(/C=C/C(=O)c2ccc(OCC(=O)O)c(OC)c2)cc1 6433269 DPDZAVVTEJJCCY-WEVVVXLNSA-N 342.347 3.063 30 40 EGEB Cc1nnc(SCc2noc(-c3ccsc3)n2)c(C#N)c1C 97080573 YUMDCWAGYDTZAH-UHFFFAOYSA-N 329.410 3.369 30 40 EGEB Cc1nc(CN(C)C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)no1 95465083 PBGHKEOMGOYZTL-UHFFFAOYSA-N 348.362 3.314 30 40 EGEB CC(C)(C)n1cc(C#N)cc1NC(=O)COc1ccccc1[N+](=O)[O-] 77380256 JAZJSDHDMKHMRR-UHFFFAOYSA-N 342.355 3.040 30 40 EGEB C=CCOc1cccc(NS(=O)(=O)c2ccc(OCC)cc2)c1 302764701 AQCQEVWLKDHSPK-UHFFFAOYSA-N 333.409 3.451 30 40 EGEB CC(C)(C)Oc1ccc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 409405181 NACCTGXAVSFCRE-NXNVCVFFSA-N 338.407 3.005 30 40 EGEB O=[N+]([O-])c1cc(/N=C/c2ccc(N3CCOCC3)o2)ccc1Cl 409009701 BLVZSZMIQAUYNG-LICLKQGHSA-N 335.747 3.428 30 40 EGEB CCCCCCCCCCCNC(=O)[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 225632488 ZTMVRTJMXOQSMD-YVSFHVDLSA-N 337.460 3.288 30 40 EGEB C[C@@H](Nc1cnn(-c2ccccc2)c1)C(=O)Nc1ccccc1C#N 97377902 ARGCYKROKLYZCQ-CQSZACIVSA-N 331.379 3.183 30 40 EGEB COc1cccc(/C=N/c2nnc[nH]2)c1OCc1ccccc1F 16228286 ISZPVEUFTFAARG-DJKKODMXSA-N 326.331 3.282 30 40 EGEB Cc1cc(NC(=O)CSc2nc3c(C)cccc3cc2C#N)no1 410786 TYPYMKANCJARFQ-UHFFFAOYSA-N 338.392 3.442 30 40 EGEB COCc1nc(C(=O)[C@@H](C#N)C(=O)c2ccc(C)cc2C)cs1 102707542 RJGUTEVVALBBNZ-ZDUSSCGKSA-N 328.393 3.112 30 40 EGEB C/N=c1/scc(-c2cc(OC)ccc2OC)n1/N=C/c1ccco1 103458285 VASVYCQELJFUOP-AMTOVTBASA-N 343.408 3.240 30 40 EGEB CCN1CCOC1=C1C(=O)CC(c2ccc(C(C)C)cc2)CC1=O 20800865 LNARVNRDBTYPRD-UHFFFAOYSA-N 327.424 3.389 30 40 EGEB CCn1cc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)c2ccccc21 112264858 PKUUGGVDVJWHNX-FYHYWYESSA-N 347.418 3.192 30 40 EGEB O=[N+]([O-])c1ccc(/C=[N+](\[O-])Cc2ccccc2Br)cc1 12959137 UUPNCSBTLQGEQY-SXGWCWSVSA-N 335.157 3.487 30 40 EGEB C=CCNC(=O)c1ccccc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 14093846 GYACFFQDHHWJFW-UHFFFAOYSA-N 339.351 3.071 30 40 EGEB N#Cc1ccc(NC(=O)NCCc2ncc(-c3ccccc3)[nH]2)cc1 65562750 XHZBUNXSIYKCSN-UHFFFAOYSA-N 331.379 3.313 30 40 EGEB C=CCn1c(SC[C@H](O)COc2ccc(C)cc2)nnc1C1CC1 14200897 TWWDZVIIGUWPCC-OAHLLOKOSA-N 345.468 3.182 30 40 EGEB CCS/C(=N\c1ncn2cc(C)[nH]c(=O)c12)Nc1ccccc1 4817784 OTMIBWFYIVBCKS-UHFFFAOYSA-N 327.413 3.184 30 40 EGEB N#Cc1ccc(/C=C(/C(=O)Nc2cccnc2)C(=O)c2ccccc2)o1 78931690 BEFQBFWTWZGPCN-WOJGMQOQSA-N 343.342 3.451 30 40 EGEB N#Cc1cccc(CNc2cccc(C(=O)N3CCSCC3)c2)c1 79016918 BYGOCRIQAGXTPR-UHFFFAOYSA-N 337.448 3.359 30 40 EGEB COc1ccc(NC(=O)N(C)[C@@H](C)CC#N)c(Br)c1 86285420 QXEDPZDUHIQACD-VIFPVBQESA-N 326.194 3.224 30 40 EGEB C=CCc1cc(/C=N\NC(=S)Nc2ccccc2)cc(OC)c1O 409200775 JIFIYGVAXDAYFF-UNOMPAQXSA-N 341.436 3.450 30 40 EGEB CCOc1cc(/C=N/Cc2ccccc2)cc(Cl)c1OCC(N)=O 36611765 MRYPBVKJOPWXLL-SRZZPIQSSA-N 346.814 3.222 30 40 EGEB N#CCCN(Cc1ccco1)C(=O)c1ccc(Br)c(O)c1 97235354 YKFJXVVPCBNQNM-UHFFFAOYSA-N 349.184 3.304 30 40 EGEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(O)c(O)c3)S2)cc1 5798839 PFNZYNCDIHYOAZ-DHDCSXOGSA-N 326.377 3.298 30 40 EGEB CSc1nc2n(n1)[C@@H](c1ccccc1)C1=C(C[C@H](C)CC1=O)N2 14164827 XSIVVLIVQSVRMM-BONVTDFDSA-N 326.425 3.268 30 40 EGEB C=CCN1C(=O)/C(=C\c2ccc(OCC)c(OC)c2)SC1=S 15011415 MSMJUONHWZRYNP-GXDHUFHOSA-N 335.450 3.481 30 40 EGEB C=CCn1c(SCc2cccc(OC)c2)nnc1-c1cnccn1 16755588 CCNZNCHIXUJHJV-UHFFFAOYSA-N 339.424 3.222 30 40 EGEB N#Cc1ccc(C(=O)Nc2nc3cc4c(cc3s2)OCCO4)cc1 4348383 VAGUWQIOQUUKMO-UHFFFAOYSA-N 337.360 3.191 30 40 EGEB Cc1ccc(O)c([C@H]2C3=C(Nc4[nH]nc(O)c42)c2ccccc2C3=O)c1 18196216 GHFONLVPGTTXLS-AWEZNQCLSA-N 345.358 3.294 30 40 EGEB CCn1ncc([C@H](C#N)c2nc3ccccc3s2)c(Cl)c1=O 3268587 PSTOJSJIPDIVRN-VIFPVBQESA-N 330.800 3.182 30 40 EGEB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1ccc(C#N)cc1 8388171 MKMFGEAAQSGUSJ-UHFFFAOYSA-N 330.391 3.291 30 40 EGEB COC(=O)COc1cccc(/C=N/NCc2ccc(Cl)cc2)c1 10119030 DOGSQVAYBIRGGY-RGVLZGJSSA-N 332.787 3.016 30 40 EGEB Cc1ccc(-c2n[nH]c(=S)n2/N=C\c2ccc(O)c(O)c2)cc1 54382144 NQUFBRIRAYWMLK-MFOYZWKCSA-N 326.381 3.210 30 40 EGEB C[C@@H](c1ccccc1F)N(CC(=O)NC1(C#N)CCCC1)C1CC1 54396174 HSKXRKQOSXZZCU-AWEZNQCLSA-N 329.419 3.304 30 40 EGEB C=CCNC(=O)c1oc2ccccc2c1CSc1ncccn1 58213775 LJFWDMSTLOVEMB-UHFFFAOYSA-N 325.393 3.431 30 40 EGEB Cc1nnc(N2CCC(OCCc3ccccc3)CC2)c(C#N)c1C 71836868 XQFTVXOXJAEVOF-UHFFFAOYSA-N 336.439 3.193 30 40 EGEB CCc1ccc([C@H]2COCCN2C(=O)Nc2ccc(C#N)cc2)o1 76018029 QJGAUHWTJMTQQV-MRXNPFEDSA-N 325.368 3.319 30 40 EGEB C=CCN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 224665881 KNYWRCPYRRFNTP-UHFFFAOYSA-N 333.409 3.085 30 40 EGEB C/C(=C\c1csc(-c2ccccn2)n1)c1nc(C)c(C#N)c(=O)[nH]1 193609246 HEKJFECXKFRYEP-JXMROGBWSA-N 335.392 3.029 30 40 EGEB N#Cc1cccc(CN2CC[C@@]3(CCCN(c4ccccn4)C3)C2)c1 96216669 RDWLVYRULNZMBJ-NRFANRHFSA-N 332.451 3.446 30 40 EGEB CC1=NN(c2ccccc2)C(=O)[C@@]12[C@H](c1ccccc1)C2(C#N)C#N 5721890 FHDQRKRZCSVIJW-XLIONFOSSA-N 326.359 3.226 30 40 EGEB CCOC(=O)c1nc(/C(C)=N/OC(=O)Nc2ccccc2)cs1 16687934 QVOMYDOBVSDGFU-VCHYOVAHSA-N 333.369 3.293 30 40 EGEB CC[C@@H](CC#N)NC(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1 157615340 HUDJWHMVDIYUIL-GTUYJWLHSA-N 333.335 3.128 30 40 EGEB N#Cc1c(CN(CCO)[C@H]2CCc3ccccc32)cn2ccccc12 74311829 FLJKHXYUBZDYMX-NRFANRHFSA-N 331.419 3.293 30 40 EGEB C=C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)NCc1ccc(Cl)cc1 2332241387 LUAJGOSNAKBHJD-YQQAZPJKSA-N 349.931 3.201 30 40 EGEB COc1cc(/C=C/C(=O)c2ccc(N(C)C)cc2)cc([N+](=O)[O-])c1O 36329701 DBIREDFMOABIKU-RUDMXATFSA-N 342.351 3.271 30 40 EGEB N#Cc1ccccc1COC(=O)Cc1cc(Cl)c2c(c1)OCCO2 10738130 CTCNWLRJQQADIZ-UHFFFAOYSA-N 343.766 3.269 30 40 EGEB C=CCNC(=O)COc1ccccc1-c1nc(-c2ccc(C)cc2)no1 64579656 UEYYAFGZWUTLPM-UHFFFAOYSA-N 349.390 3.393 30 40 EGEB CCN(C[C@H](C)C#N)C(=O)c1csc(-c2ccc3c(c2)OCO3)n1 69529439 YEEZMEQLIOPKPS-LLVKDONJSA-N 343.408 3.161 30 40 EGEB N#C[C@]1(NC(=O)c2csc(Cc3ccccc3F)n2)CCSC1 96410071 HHJBWYVZKYSCMY-MRXNPFEDSA-N 347.440 3.002 30 40 EGEB C[C@H]1c2ccsc2CCN1CC(=O)Nc1ccc(CC#N)cc1 9503683 XUIDRCQWQQDJOA-ZDUSSCGKSA-N 325.437 3.372 30 40 EGEB C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1sc2c(c1C#N)CCC2 78273159 AKFFRONOAKEOGA-QLJPJBMISA-N 340.404 3.275 30 40 EGEB COc1ccc([C@H](O)CNc2ccc(C#N)c(Cl)c2)cc1OC 95399243 CBIXSZBMMNZVPD-OAHLLOKOSA-N 332.787 3.374 30 40 EGEB C#CCOc1ccc2ccccc2c1/C=C1\SC(=S)NC1=O 408809108 HYHHQTNGPCQXTI-GDNBJRDFSA-N 325.414 3.341 30 40 EGEB O=C(O)Cc1sc(N/N=C\c2ccco2)nc1-c1ccccc1 36092142 DDKMYJKBCWLTKF-YVLHZVERSA-N 327.365 3.476 30 40 EGEB N#Cc1cccc(N[C@@H]2CO[C@@]3(CCN(Cc4cccs4)C3)C2)c1 96218896 YFDZYOXDQRGQLV-HKUYNNGSSA-N 339.464 3.465 30 40 EGEB Cc1cccc([C@H](C)NC(=O)C(=O)Nc2ccc(F)c(C#N)c2)c1C 96407051 OUSZLUQTTMWKCM-ZDUSSCGKSA-N 339.370 3.130 30 40 EGEB Cc1[nH]c(C(=O)N(CCC#N)[C@H](C)C2CC2)c(C)c1C(=O)OC(C)C 65515923 OXPYQXCQUIZREV-CQSZACIVSA-N 345.443 3.351 30 40 EGEB CCOc1c(Br)cc(/C=C2\C(=O)ON=C2C)cc1OC 4200152 JWMMOLOOYYTZCK-YHYXMXQVSA-N 340.173 3.173 30 40 EGEB O=c1[nH]c2ccc(/N=C\c3c(O)ccc4cc([N+](=O)[O-])ccc34)cc2[nH]1 5670454 PYPAOZFNJXCCMU-OCKHKDLRSA-N 348.318 3.374 30 40 EGEB CCOC(=O)c1ccc(N/N=C/C(Cl)=C(\Cl)C(=O)O)cc1 165609 GEJRADINWGBABR-XVCWLYTKSA-N 331.155 3.035 30 40 EGEB Cc1ccc(NC(=O)[C@H]2CCCN2/C=C/C(=O)C(F)(F)F)cc1 4119678 WYHGSJAGUHQGAZ-AORWBKJGSA-N 326.318 3.043 30 40 EGEB C/N=c1\scc(-c2ccc(C)cc2)n1/N=C/c1ccc(O)c(O)c1 15911318 CGIGGKHLNBWBGY-VZIMSOPNSA-N 339.420 3.349 30 40 EGEB COc1cc(C#N)ccc1O[C@H](C(=O)NC1CC1)c1ccc(F)cc1 12253018 NZESBWDSDIXKKD-SFHVURJKSA-N 340.354 3.105 30 40 EGEB N#Cc1cccnc1NC[C@H](c1ccccc1Cl)N1CCOCC1 25495217 DAXHGAPWPXINOE-QGZVFWFLSA-N 342.830 3.092 30 40 EGEB O=C1/C(=C/c2csnn2)CCOc2cc(Br)ccc21 58357669 HAXTYIGIWAMBOZ-VMPITWQZSA-N 337.198 3.349 30 40 EGEB N#Cc1ccc(OC(F)F)c(NC(=O)N[C@@H](CO)c2ccccc2)c1 116497836 WUXWVNHQUCEFAK-AWEZNQCLSA-N 347.321 3.015 30 40 EGEB Cc1cc(C)n(C[C@H]2CCCCN2C(=O)c2cccc(CC#N)c2)n1 71865536 GPYLSMDAXMIGSH-LJQANCHMSA-N 336.439 3.261 30 40 EGEB CCn1cc(/C(O)=N/S(=O)(=O)/C=C/c2ccccc2)c(C(C)C)n1 77940424 LXGLXTZXEMGHSG-ZHACJKMWSA-N 347.440 3.332 30 40 EGEB Cc1cnn([C@H]2CCCN(C(=O)c3cn(CC#N)c4ccccc34)C2)c1 72235787 YYRYSCFAEXGYRQ-INIZCTEOSA-N 347.422 3.147 30 40 EGEB N#Cc1ccc(N2CCC[C@H](Sc3cc(C#N)ccn3)C2=O)cc1 97047701 RWEXNAAZJHXCAO-INIZCTEOSA-N 334.404 3.113 30 40 EGEB COc1ccc(C[S@](=O)Cc2cc(F)ccc2OC)cc1C#N 95431231 MTQBBYQPHUQGRB-HSZRJFAPSA-N 333.384 3.163 30 40 EGEB CC/C(=N\Nc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CC(=O)N2C 98055013 GOTYBLBFZCVXNX-CAPFRKAQSA-N 338.367 3.340 30 40 EGEB NC(=O)c1ccccc1N/C=C/C(=O)c1cccc(Br)c1 409061974 KTRNOROADALMLA-CMDGGOBGSA-N 345.196 3.357 30 40 EGEB C=CCOC[C@]12CCCO[C@H]1CCN(C(=O)c1sccc1C)C2 96039663 CXBABLGHEGYBNP-MAUKXSAKSA-N 335.469 3.270 30 40 EGEB COC(=O)c1coc(C(=O)N(CCC#N)c2ccc(C)c(C)c2)c1 97376433 FBWIASNNOJKION-UHFFFAOYSA-N 326.352 3.244 30 40 EGEB CC1=NOC(=O)/C1=C\c1ccc(OCc2ccc(C(=O)O)cc2)cc1 12630418 LUJRJNMDBUGJPA-YVLHZVERSA-N 337.331 3.280 30 40 EGEB C[C@@H]1CS/C(=C(\C(=O)O)C(=O)/C=C/c2ccc(N(C)C)cc2)S1 5394024 NCBHWBQVDZKAJJ-MUCLKJQQSA-N 349.477 3.500 30 40 EGEB N#Cc1c(N)cc(N)nc1SCc1ccc(Br)cc1 24574206 AZCHOEWKTFVLRA-UHFFFAOYSA-N 335.230 3.172 30 40 EGEB COc1ccc(C(=O)/C=C/c2ccc(/C=N/N(C)C)cc2)cc1OC 4306867 ZGTLPLHJYYRYSO-QGEPNLJWSA-N 338.407 3.495 30 40 EGEB C[C@@H](NC(=O)c1cccnc1N1CCCCC1)c1ccc(C#N)cc1 40132972 CLCARKFYPALMRB-OAHLLOKOSA-N 334.423 3.435 30 40 EGEB Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)[C@@H](C)C(C)(C)C 40511029 DFGASDYJXYTIOO-AWEZNQCLSA-N 341.459 3.043 30 40 EGEB Oc1nncc(N/N=C\c2cccc(Br)c2)c1Cl 31854573 PBODWNIXSPSJRH-RZNTYIFUSA-N 327.569 3.044 30 40 EGEB O=C1Nc2ccccc2[C@@]1(O)C/C(=N/O)c1ccc2ccccc2c1 6576593 JZWCJJYBAYUZIP-XLIXHQMESA-N 332.359 3.248 30 40 EGEB N#Cc1cccc(NC(=O)COC(=O)CCSc2ccccc2)c1 7738960 UDTIGOHCKOXGOL-UHFFFAOYSA-N 340.404 3.222 30 40 EGEB C=CCNc1nc(-c2ccc3c(c2)CCCN3S(C)(=O)=O)cs1 8209005 QBAJBGBEBRFCAD-UHFFFAOYSA-N 349.481 3.120 30 40 EGEB COC(=O)[C@H](C)[C@@H](NC(=O)Nc1cccc(C#N)c1)c1ccccc1 75106692 NOZCKJNBTINBHW-CXAGYDPISA-N 337.379 3.230 30 40 EGEB Cc1ccc(-c2cnc(CCC(=O)N(CCC#N)CCC#N)o2)cc1 58282668 KGCOQSUXABIGCI-UHFFFAOYSA-N 336.395 3.239 30 40 EGEB CC(C)c1nc(C#N)c(NC[C@H](c2cccs2)N2CCOCC2)o1 27794100 CFZNNSLJDNRSMH-CQSZACIVSA-N 346.456 3.217 30 40 EGEB COc1ccc(C(=O)NCC#Cc2ccccc2)cc1Br 12808128 LDPDITNIJILTKC-UHFFFAOYSA-N 344.208 3.239 30 40 EGEB Cc1ccc(NC(=O)CSCC(=O)Nc2sccc2C#N)cc1 13006387 UQLSIRSJDDADCB-UHFFFAOYSA-N 345.449 3.239 30 40 EGEB CCOc1ccc(CN(C)[C@H](C)C(=O)Nc2cccc(C#N)c2)cc1 6602121 ZRPVJUKEOHFSGP-OAHLLOKOSA-N 337.423 3.416 30 40 EGEB C=CCn1c(C)cc(C(=O)CN2CCC[C@H](c3nc(C)no3)C2)c1C 69388472 SBGURTWUYTUSPV-INIZCTEOSA-N 342.443 3.045 30 40 EGEB N#Cc1c(Cl)nsc1N1CCC[C@H]1c1nnc2n1CCCCC2 69768935 CIHRHKCKDUNCGL-NSHDSACASA-N 348.863 3.328 30 40 EGEB C[C@@H]1CCC[C@@H](CC(=O)N2CCCN(c3ncccc3C#N)CC2)C1 69872435 QNKOTXBUHUAVOY-IAGOWNOFSA-N 340.471 3.208 30 40 EGEB O=C1/C(=C\NCc2ccccc2)[C@](O)(C(F)(F)F)Oc2ccccc21 9059653 IBGVCTQRJMPTJJ-GWKQRERASA-N 349.308 3.186 30 40 EGEB C#CCOc1ccc(NC(=O)N[C@H](c2nccs2)C2CC2)cc1 96434763 NWPFQDNFFKUTHJ-HNNXBMFYSA-N 327.409 3.428 30 40 EGEB CC(=O)N[C@H](C(=O)Nc1ccccc1SC[C@H](C)C#N)C(C)C 71888209 XMEXYYXVBVZVHW-WBMJQRKESA-N 333.457 3.038 30 40 EGEB Cc1cc(C)c2ncc(C#N)c(NCC3(CCO)CCOCC3)c2c1 74771738 FHVPCMGOBGGOEZ-UHFFFAOYSA-N 339.439 3.314 30 40 EGEB CC(C)(C)Oc1ccc(C(=O)N(CCC#N)C2CCOCC2)cc1 79545968 ZVYYHRZENNPDEU-UHFFFAOYSA-N 330.428 3.399 30 40 EGEB CC[C@H](C)Oc1ccc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 409408207 WWGVWMDHWYSXDJ-GIVGJKMXSA-N 338.407 3.005 30 40 EGEB Cc1csc([C@H](C#N)C(=O)CCc2ccc3c(c2)OCCCO3)n1 79101918 PJOALGPZUHHXFB-CQSZACIVSA-N 342.420 3.422 30 40 EGEB N#C[C@H](C(=O)C1CCC(NC(=O)C2CCCC2)CC1)c1ccccn1 78979048 MMUSLBVCAJLBCV-PREGVCBESA-N 339.439 3.123 30 40 EGEB Cc1cc(C)cc([C@H](O)C/N=C(/O)Nc2ccc([S@](C)=O)cc2)c1 330032712 RKGZVBWMZPYAIH-OSPHWJPCSA-N 346.452 3.100 30 40 EGEB Cc1csc([C@H]2CN(Cc3cn4ccccc4c3C#N)CCO2)n1 97199339 PVDGJNUXQXCEIU-QGZVFWFLSA-N 338.436 3.149 30 40 EGEB N#CC1(COC(=O)c2c[nH]nc2-c2ccccc2Cl)CCOCC1 97147622 SIIXJSOEKHPSQN-UHFFFAOYSA-N 345.786 3.207 30 40 EGEB CN(C)C1CCN(CCNc2cc(C#N)ccc2C(F)(F)F)CC1 97163604 LKVXJGVYKWKRKM-UHFFFAOYSA-N 340.393 3.015 30 40 EGEB Cc1cc(C2=[N+]([O-])[C@@]3(CCCC/C3=N\O)N(O)C2(C)C)ccc1F 13098307 BVXSBUUODABCCC-WFVLPUPGSA-N 335.379 3.017 30 40 EGEB C=CCSc1nnc(NC(=O)c2cccc([N+](=O)[O-])c2C)s1 16008440 DEAFKOFIDGUJTL-UHFFFAOYSA-N 336.398 3.285 30 40 EGEB Cc1ccc(-c2nnc(S)n2/N=C\c2ccccc2[N+](=O)[O-])cc1 6032907 GTXLFGIBVIAIFZ-YVLHZVERSA-N 339.380 3.333 30 40 EGEB C[C@@H]1CN(c2oc(/C=C/c3ccc(F)cc3)nc2C#N)C[C@@H](C)O1 20446576 GPFDELKVSAPDOX-IURQOMBCSA-N 327.359 3.469 30 40 EGEB O=C(C[n+]1cccc(-c2ccccc2)c1)Nc1ccc2c(c1)OCO2 7761283 MGKKTYGEEPVNDM-UHFFFAOYSA-O 333.367 3.009 30 40 EGEB CCOC(=O)c1ccc(/N=C/c2ccc(O[C@@H](C)C(=O)O)cc2)cc1 59248513 CBYRFKNVLYUZOT-DZUMZMOTSA-N 341.363 3.466 30 40 EGEB COc1ccc(C(C)=O)cc1CO/N=C(\N)c1ccc(Cl)cc1 29465265 XAPJWKCOHMQLRM-UHFFFAOYSA-N 332.787 3.388 30 40 EGEB C/C(=N\c1ccccc1C(=O)O)c1c(O)c2ccccc2n(C)c1=O 101161200 BHEQJXOVDQQKFC-RGVLZGJSSA-N 336.347 3.083 30 40 EGEB CC(C)Oc1ccccc1/C=N/N1C(=O)NC2(CCCCC2)C1=O 3308341 ZNPVDILWJYTTLU-XDHOZWIPSA-N 329.400 3.062 30 40 EGEB COCCOc1ccc(C(=O)/C=C/c2cn(-c3ccccc3)nn2)cc1 58316789 UQGHYPDSDUPWRK-FMIVXFBMSA-N 349.390 3.189 30 40 EGEB CCOc1ccc(C(=O)/C(C)=[N+](\[O-])C/C(=N/O)c2ccccc2)cc1 13098342 BVXNEYCYILIVME-VBTWLQNOSA-N 340.379 3.118 30 40 EGEB CCS(=O)(=O)Nc1ccc(C(=O)/C=C/c2cccc(O)c2)cc1 65566657 NBNYYWGIRCUTRO-IZZDOVSWSA-N 331.393 3.050 30 40 EGEB N#Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@H](C(F)(F)F)C1 14116090 YLQGQUFKZHOZRA-NSHDSACASA-N 345.752 3.424 30 40 EGEB N#CCCCS(=O)(=O)/N=C(\O)CC1CCC(C(F)(F)F)CC1 97084326 JICDJOZDZXZIEB-UHFFFAOYSA-N 340.367 3.335 30 40 EGEB Cc1c(CNc2cccc(-c3nc(C4CC4)n[nH]3)c2)cc(C#N)n1C 97021715 XBZNIYSFKBAKOG-UHFFFAOYSA-N 332.411 3.480 30 40 EGEB CC(C)(CCC#N)CNCc1nnc2n1CCC[C@H]2C(F)(F)F 95402042 XTGOQXVQNDRJID-LLVKDONJSA-N 329.370 3.137 30 40 EGEB Cc1cc(/C=N\N2C(=O)CSC2=S)c(C)n1-c1ccccc1 409338192 FNRBGIQUSDATEX-MFOYZWKCSA-N 329.450 3.288 30 40 EGEB N#Cc1ccc(Nc2ccc(I)cc2)c(N)c1 35674548 WXXLGCYEHPIDCL-UHFFFAOYSA-N 335.148 3.489 30 40 EGEB C#CCOC(=O)c1cc([N+](=O)[O-])cc2nc(-c3ccccc3F)oc12 73641843 BIIHHJGEYUNJHB-UHFFFAOYSA-N 340.266 3.332 30 40 EGEB C=CCOc1ccc(NS(=O)(=O)c2cc(F)ccc2OC)cc1 223693244 LMBGGQANSOILPJ-UHFFFAOYSA-N 337.372 3.200 30 40 EGEB COc1cccc2c(C[C@@H](C#N)C(=O)NCCc3ccccc3)c[nH]c12 40288038 RJNPKQSBAMPCHW-INIZCTEOSA-N 347.418 3.218 30 40 EGEB CN(C)c1ccc(/C=N/N=C(/Nc2ccccn2)c2ccccn2)cc1 8548328 PKLGWZPOGWJVIP-HZHRSRAPSA-N 344.422 3.435 30 40 EGEB COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1Cl 19315001 WUFDQBHZZWKXNM-MRXNPFEDSA-N 331.799 3.481 30 40 EGEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(C)[C@@H]2c2ccc(C)cc2)cc1 102587326 QITQWYAYVUVQKZ-GROYHEBESA-N 337.375 3.055 30 40 EGEB CC(C)[C@@H](C)NC(=O)CNc1ccc(OCC(F)(F)F)c(C#N)c1 55849668 SKPNKTXYCNKSJV-LLVKDONJSA-N 343.349 3.072 30 40 EGEB COc1ccc(/C=N/OCCOc2ccc(C#N)cc2)cc1OC 23658438 AMEGWBDNAYJYJW-DEDYPNTBSA-N 326.352 3.005 30 40 EGEB CN(c1nc(C(F)(F)F)ccc1C#N)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C 71920857 ZZCNVBFMPJUGIU-RTXFEEFZSA-N 325.334 3.222 30 40 EGEB C#CCNC(=O)c1oc2ccccc2c1CSc1nnc(C)s1 58217518 PIPJJCJFADSURJ-UHFFFAOYSA-N 343.433 3.248 30 40 EGEB N#Cc1ccc(C(=O)c2ccccc2I)cc1 2392628 JYBKPLFUGQMVNQ-UHFFFAOYSA-N 333.128 3.394 30 40 EGEB N#Cc1cccc(NC(=O)NCc2nc(-c3ccncc3)cs2)c1 69777405 CUZMLGTUSCSARM-UHFFFAOYSA-N 335.392 3.398 30 40 EGEB COc1ccc(OC)c(/C=N/O[C@@H](C)C(=O)N(C)c2ccccc2)c1 14368423 YDUQIILNMGTINB-ZXOFLVKFSA-N 342.395 3.106 30 40 EGEB CCCn1nc(C(=O)OCc2ccc(C#N)cc2)c2ccccc2c1=O 9219377 HEWPGDXDMGPFGB-UHFFFAOYSA-N 347.374 3.035 30 40 EGEB C/C(=N\OCC(=O)Nc1c(C)cc(C)cc1Cl)c1cnn(C)c1 96313936 ARAMULHKABNPBG-UDWIEESQSA-N 334.807 3.070 30 40 EGEB N#Cc1cc(NCC[S@@](=O)Cc2ccccc2)nc2ccccc12 72290385 SIJFLLVWRVAYKB-DEOSSOPVSA-N 335.432 3.467 30 40 EGEB COCCNc1ccccc1CNc1ccc(C#N)cc1[N+](=O)[O-] 95417588 OWGUJSSKOIAWDV-UHFFFAOYSA-N 326.356 3.137 30 40 EGEB Cn1c(CCCNC(=O)Nc2ccc(C#N)cc2)nc2ccccc21 79015880 PXMADQJYZHLDAL-UHFFFAOYSA-N 333.395 3.199 30 40 EGEB CN(CCC#N)c1ccc(CNC[C@H](c2ccccc2)N(C)C)cc1 22095921 HTDODXNVFUFIKL-OAQYLSRUSA-N 336.483 3.429 30 40 EGEB C=CCN1C(=O)S/C(=C/c2cccn2-c2ccc(O)cc2)C1=O 32109843 KHVJDGGBMGWJSD-RVDMUPIBSA-N 326.377 3.405 30 40 EGEB CCc1ccc([C@@H]2[C@@H](C=O)[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1 218648544 JKOZAAVSJCUHMX-QRVBRYPASA-N 328.433 3.312 30 40 EGEB N#C[C@@H](C(=O)C1CCC(NC(=O)C2CCCC2)CC1)c1ccccn1 78979044 MMUSLBVCAJLBCV-BDVYOWHSSA-N 339.439 3.123 30 40 EGEB COc1cc2c(cc1OC)/C(=N/Nc1ccc(C)c(Cl)c1)C(=O)N2 43909464 BSWBMEITCGTVQD-UHFFFAOYSA-N 345.786 3.434 30 40 EGEB CCOCc1ccc(N[C@H]2CCN(c3sccc3C#N)C2=O)cc1 81160300 LEKLQQJEMDELHJ-INIZCTEOSA-N 341.436 3.374 30 40 EGEB O/C(=N\c1nncn1-c1ccccc1)c1csc([C@H]2CCCO2)n1 96493773 YBKBQSDNIGRPIT-CYBMUJFWSA-N 341.396 3.212 30 40 EGEB C#CCCCCNC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 96496992 PTOJPEAJZVDTSJ-UHFFFAOYSA-N 342.365 3.052 30 40 EGEB N#Cc1ccc(OS(=O)(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 585115923 ZTUQWSAFZAQXST-AAEUAGOBSA-N 333.331 3.388 30 40 EGEB COc1cc2c(cc1OC)CN(c1nc3c(cc1C#N)CCC3)CC2 298726141 URKXTOHEGLNSRT-UHFFFAOYSA-N 335.407 3.022 30 40 EGEB C/C(=N/N=C\N(C)S(=O)(=O)c1ccc(C)cc1)c1ccccc1 17131206 YYILCYXIUSOBQQ-ONPJFLAQSA-N 329.425 3.068 30 40 EGEB C/C(=C\CC[C@H](C)C1=CC[C@]2(C)OC3=C(C[C@@H]12)C(=O)[C@H](O)CC3)CO 252505316 KOATXBNOVXBDJE-YYRWIUDTSA-N 346.467 3.445 30 40 EGEB biogenic,in-vitro N#Cc1ccccc1NC(=O)c1cccn(Cc2cccc(F)c2)c1=O 5268781 PLOGOSJEVOAXQP-UHFFFAOYSA-N 347.349 3.160 30 40 EGEB N#Cc1ccnc(O[C@H]2CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)c1 575612729 LWIPLAPIFHOTND-KRWDZBQOSA-N 346.390 3.118 30 40 EGEB Cc1cccc(NC(=O)CN(C)c2snc(Cl)c2C#N)c1C 47405314 BQIIPCXQJAZMFY-UHFFFAOYSA-N 334.832 3.360 30 40 EGEB Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1CC(=O)N(C)C1 56470159 JXDGCJYXSFMWMH-OAHLLOKOSA-N 349.390 3.076 30 40 EGEB O=c1c2ccccc2nc(O)n1N=Cc1ccc(-c2cccc(F)c2)o1 409354034 WYZIZXPMRLSFCY-UHFFFAOYSA-N 349.321 3.383 30 40 EGEB O=C(COc1ccccc1)Nc1cccc(C#Cc2ccccn2)c1 58598123 JSBBWDGERFWLIO-UHFFFAOYSA-N 328.371 3.499 30 40 EGEB C=CCN1C(=O)[C@@](O)(CC(=O)c2ccc(CC)cc2)c2ccccc21 4164450 JKQSOEXJJMOKKR-OAQYLSRUSA-N 335.403 3.242 30 40 EGEB COc1cc(OC)c(OC)cc1/C=N\N=C(/S)Nc1ccccc1 5237165 FUYKCLPJJPJJTN-WQRHYEAKSA-N 345.424 3.444 30 40 EGEB C=CCNc1nc(C(=O)OCc2cn3ccccc3c2C#N)cs1 14851563 YXQHKIMBNSZOBP-UHFFFAOYSA-N 338.392 3.222 30 40 EGEB C=CCc1cc(/C=N\c2ccccc2O)cc(OC)c1OCC(=O)O 408858010 RAYMPNUOHZJJNP-JAIQZWGSSA-N 341.363 3.343 30 40 EGEB O=C1CCCC2=C1[C@H](c1ccccc1C(F)(F)F)n1ncnc1N2 18195926 OSMSOPRNZXMHBC-AWEZNQCLSA-N 334.301 3.319 30 40 EGEB C[C@@H](CCc1cccn1C)NC(=O)c1ccccc1SCC#N 72297629 MESSOXALIPGWOR-AWEZNQCLSA-N 327.453 3.392 30 40 EGEB CC(C)(C)n1cc(C#N)cc1NC(=O)NCCCc1nccs1 72285585 FIQMXYCTNUNUGP-UHFFFAOYSA-N 331.445 3.326 30 40 EGEB N#Cc1ccc([C@@H](O)Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)cc1 97085577 FHIOSYMNNPYUSP-SFHVURJKSA-N 334.335 3.064 30 40 EGEB CC(C)(C#N)C(=O)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 97081830 JWWHNDNOWOZPDA-CYBMUJFWSA-N 326.318 3.155 30 40 EGEB C[C@@H]1C[C@@H](Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C(=O)O1 95395943 BROHFMBWPDHMGX-SJKOYZFVSA-N 340.354 3.392 30 40 EGEB Cc1csc(CS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)n1 191727945 SVFKXTZFTWLVFQ-UHFFFAOYSA-N 346.355 3.316 30 40 EGEB CN(Cc1cccc(C#N)c1)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 65564959 AKSUFEJJSNLVDE-UHFFFAOYSA-N 348.362 3.080 30 40 EGEB COc1cc(/C=N\O)ccc1OCC(=O)Nc1ccc(C)cc1C 8369218 OUGWJKKDUURJGJ-GRSHGNNSSA-N 328.368 3.138 30 40 EGEB C=CCO/N=C(\CCC)C1=C(OC)CC(C)(C)[C@H](C(=O)OC)C1=O 5417223 RMIGVJASGYIICQ-UZUMKDMXSA-N 337.416 3.034 30 40 EGEB C[C@@H](NC(=O)[C@@](F)(NC(F)(F)F)C(F)(F)F)c1ccccc1 25425907 WGNUDVQAHOGFJX-GMSGAONNSA-N 332.219 3.201 30 40 EGEB N#C[C@@H](NC(=O)Cc1cc(-c2ccccc2)on1)c1ccccc1F 81342673 SLCGHBSFXRDZEB-QGZVFWFLSA-N 335.338 3.404 30 40 EGEB C=C(C)CN1CCN([C@@H](C(=O)O)c2c[nH]c3ccc(Cl)cc23)CC1 20722700 MQELSRLRYAERLT-QGZVFWFLSA-N 347.846 3.141 30 40 EGEB CC(C)[C@@H]1O[C@]2(C)OC(=N)[C@]1(C#N)C(C#N)(C#N)[C@H]2c1ccccc1 100800284 LDYURYAXCISGAL-MFWIUYSUSA-N 334.379 3.092 30 40 EGEB C/C(=C\C(=O)[C@H](C#N)c1nnc2n1CCCCC2)c1ccccc1F 103276697 RBFGZUTULMLCFP-FQNOHDAGSA-N 338.386 3.423 30 40 EGEB N#Cc1ccc(OCC(=O)N[C@@H]2CCCC[C@H]2C(F)(F)F)cc1 22498498 NYXBDALPFOZKLO-ZIAGYGMSSA-N 326.318 3.174 30 40 EGEB Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnn(C)c1C 57089249 IPAAMOINYFPBPH-UHFFFAOYSA-N 347.378 3.348 30 40 EGEB CCOc1ccccc1/C=N/NS(=O)(=O)c1cc(C)ccc1C 3270522 YHZPAXNMVIFEHN-LDADJPATSA-N 332.425 3.015 30 40 EGEB N#Cc1ccccc1COC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 5229105 ZBKVMBGQCCYSNW-IBGZPJMESA-N 337.375 3.473 30 40 EGEB CC1CCN(c2nnc(SCCCC#N)n2C[C@@H]2CCCO2)CC1 65491979 QSOKMWMANJRPBP-HNNXBMFYSA-N 349.504 3.089 30 40 EGEB CC(=O)/C(=N/Nc1ccc(Br)cc1)NNc1ccccc1 4520449 FRDBUTMZDOXXHY-UHFFFAOYSA-N 347.216 3.380 30 40 EGEB COc1cccc([C@H]2CCCN2CC(=O)Nc2cccc(C#N)c2)c1 8748302 VOFGGCLPBGHPGU-LJQANCHMSA-N 335.407 3.342 30 40 EGEB O=[N+]([O-])c1cccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c1 409033635 FYKNVAMHKLFPJY-DVZOWYKESA-N 333.163 3.309 30 40 EGEB N#CCN(C(=O)c1ccc(Br)c(F)c1)C1CCCC1 78003177 VGWWWBODKPXOOZ-UHFFFAOYSA-N 325.181 3.497 30 40 EGEB N#Cc1cc(F)ccc1NCc1ccc(CN2CCC(O)CC2)cc1 95403212 DGSOSCRSMFSUDB-UHFFFAOYSA-N 339.414 3.266 30 40 EGEB C/N=C(/NCc1ncccc1C)N[C@@H](C)c1cccc(-n2cccn2)c1 86125578 ZDFPAJXVHFRXCW-INIZCTEOSA-N 348.454 3.002 30 40 EGEB CCOc1cc(C=C2C(=O)c3ccccc3C2=O)cc([N+](=O)[O-])c1O 409393187 VHOVHTCRIZGFAH-UHFFFAOYSA-N 339.303 3.162 30 40 EGEB C=CCN(c1cccc(C)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224742116 YKKCUIDQEUMTKM-UHFFFAOYSA-N 332.381 3.285 30 40 EGEB C=C(C)C[C@H](C)C(=O)N[C@H](Cc1ccncc1)C(=O)OC(C)(C)C 585090864 SVBKWYCYNFDANG-GOEBONIOSA-N 332.444 3.053 30 40 EGEB N#CCn1c(C(=O)N2CCCC[C@H]2Cn2cccn2)cc2ccccc21 71865436 OOQGVRIVDVCLDJ-KRWDZBQOSA-N 347.422 3.056 30 40 EGEB C=CCOc1c(Cl)cc(/C=C2\SC(=S)NC2=O)cc1OC 16195407 JZSIFBYUZQXUKN-XFFZJAGNSA-N 341.841 3.402 30 40 EGEB Cc1cc(C)c2cc(C#N)c(SCC(=O)N3CCCC3)nc2c1 412222 TYBTUWXHSOGZSY-UHFFFAOYSA-N 325.437 3.438 30 40 EGEB CC(C)COC(=O)C[N+](C)(C)CCO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 100750560 ZCGXPPMGQSXPBJ-FUHIMQAGSA-N 340.528 3.493 30 40 EGEB biogenic C[C@H](Nc1ccc2c(c1)OCCCO2)C(=O)Nc1cccc(C#N)c1 8404523 OHMZOHQSNXHSKG-ZDUSSCGKSA-N 337.379 3.159 30 40 EGEB CCOc1ccccc1[C@H]1C2=C(CC(C)(C)CC2=O)Nc2ncnn21 222546 IYSJXYJCMTXCBA-KRWDZBQOSA-N 338.411 3.335 30 40 EGEB CCc1n[nH]c(S[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)n1 11717314 DVPYONRBSWQLEO-MRVPVSSYSA-N 335.820 3.011 30 40 EGEB Cc1sc2ncnc(-n3ncc(C#N)c3N)c2c1-c1ccccc1 390123 TWRUTHJTXHWYTO-UHFFFAOYSA-N 332.392 3.306 30 40 EGEB O=C1c2ccccc2N[C@H](c2cc(Br)ccc2O)N1O 1012019 CBLZDSSYVRALLE-ZDUSSCGKSA-N 335.157 3.110 30 40 EGEB Cc1nnc(N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c(C#N)c1C 43534073 HLJSCRLNVUGMHF-AWEZNQCLSA-N 332.411 3.225 30 40 EGEB CCOC(=O)[C@@H](C#N)c1c(F)c(F)c(Br)c(F)c1F 3179278 ZOLWINDTHUGQIM-BYPYZUCNSA-N 340.070 3.176 30 40 EGEB O=S(=O)(/N=C(\O)CCc1ccco1)c1ccc(Cl)cc1F 58426449 ZMQBKZBEKYESIA-UHFFFAOYSA-N 331.752 3.350 30 40 EGEB Fc1ccc(/C=N/Nc2nnnn2-c2cccc3ccccc23)cc1 4188403 WKVBTFJOJWETFR-UDWIEESQSA-N 332.342 3.401 30 40 EGEB CC(=O)Nc1cccc2c1CCN(Cc1cn3ccccc3c1C#N)C2 70040172 DQWUIYOCIXTQTR-UHFFFAOYSA-N 344.418 3.328 30 40 EGEB C=CCn1c(SCN2CCCCC2=O)nnc1-c1ccc(F)cc1 96004620 JQJTYQZCYLAMBX-UHFFFAOYSA-N 346.431 3.332 30 40 EGEB Cc1nc(N2CCC(Oc3ccc(C#N)cc3)CC2)ccc1[N+](=O)[O-] 95414914 DVXSRICFILLFRF-UHFFFAOYSA-N 338.367 3.218 30 40 EGEB Cc1ccc(C(=O)O)cc1/N=C\c1ccc(O[C@H](C)C(=O)O)cc1 408854162 YVVBDNHQSDXPPR-FGHSJCFPSA-N 327.336 3.296 30 40 EGEB O=[N+]([O-])c1cccc(/C=N\Nc2nc3cc(Cl)ccc3[nH]2)c1O 36022211 HOSCAHUORQTKJZ-APSNUPSMSA-N 331.719 3.276 30 40 EGEB Cc1cccc2c(N[C@H]3CCC[C@H](S(C)(=O)=O)C3)c(C#N)cnc12 78301286 PGMPLVFZWFDNBS-GJZGRUSLSA-N 343.452 3.183 30 40 EGEB C=CCc1cc(C(=O)NCc2ccc(OC)c(OC)c2)ccc1OC 44904450 RKCDHYFMMSMEJB-UHFFFAOYSA-N 341.407 3.371 30 40 EGEB C[C@@H](/N=C(/O)c1c(F)ccc(O)c1F)c1nc(C(C)(C)C)no1 330881688 ZNEMVGCLLKAJDB-SSDOTTSWSA-N 325.315 3.417 30 40 EGEB O=[N+]([O-])c1ccc(O)c(/C=N/Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 36028928 XRJAYLPCEVJENL-VIZOYTHASA-N 336.691 3.308 30 40 EGEB COc1ccc(C/N=C2\Nc3ccccc3NC23CCNCC3)cc1 32918741 YGXIIONGCSLISJ-UHFFFAOYSA-N 336.439 3.254 30 40 EGEB COc1ccc(/C=C/C(=O)c2ccc(S(C)(=O)=O)c(OC)c2)cc1 57810055 YHZCLQFHBCOKHB-UXBLZVDNSA-N 346.404 3.003 30 40 EGEB N#CCCNC(=O)CSc1nc(-c2ccco2)nc2ccccc12 12767754 SQODSBKAXPIDNB-UHFFFAOYSA-N 338.392 3.012 30 40 EGEB C=CCN1C(=O)S/C(=C\c2ccc(N3CCOCC3)cc2C)C1=O 13470924 QFMUFJOLPSGADN-VBKFSLOCSA-N 344.436 3.054 30 40 EGEB C=CC[C@]1(OC)C=C2C(=CC1=O)O[C@H](c1ccc3c(c1)OCO3)[C@H]2C 13460498 HCKMSYACKQLOPY-OUWQEXSBSA-N 340.375 3.477 30 40 EGEB biogenic,in-vitro C[C@@H](Oc1ccc2ccc(=O)oc2c1)C(=O)Nc1cccc(C#N)c1 4435088 DQKIWAXPVZEFHH-GFCCVEGCSA-N 334.331 3.071 30 40 EGEB CCOC(=O)/C(O)=N/c1nnc(SCc2ccc(F)cc2)s1 7037094 ZUJWBLBMPCEVBJ-UHFFFAOYSA-N 341.389 3.121 30 40 EGEB N#C[C@H]1CCCC[C@@H]1OC(=O)c1ccc(Cn2cc(Cl)cn2)o1 71905068 NOTABXJACCDBJM-RISCZKNCSA-N 333.775 3.417 30 40 EGEB O/C(=N\c1nncn1-c1ccccc1)c1csc([C@@H]2CCCO2)n1 96493771 YBKBQSDNIGRPIT-ZDUSSCGKSA-N 341.396 3.212 30 40 EGEB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1cc(C#N)cn1C(C)(C)C 95360964 VCMFRBGNCXYXRX-SJCJKPOMSA-N 339.395 3.282 30 40 EGEB N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2ccc(-c3ncc[nH]3)cc2)cc1 390834283 VTDVFCDTJQGCQE-KRWDZBQOSA-N 341.374 3.269 30 40 EGEB N#C[C@H](C(=O)c1cccc(Nc2cnccn2)c1)c1ccc(F)cn1 97034334 FLWNRVVQCQUOCP-HNNXBMFYSA-N 333.326 3.244 30 40 EGEB COc1cc(/C=C2\SC(=N)[C@@H](c3nccs3)C2=O)ccc1O 35352602 UPSVLOBIOCFVKV-ZRFBOOQPSA-N 332.406 3.275 30 40 EGEB N#Cc1cccc(NC(=O)CNc2cccc(Br)c2)c1 7953215 ZRNVCPFAUZNQIR-UHFFFAOYSA-N 330.185 3.371 30 40 EGEB N#Cc1nc(C2CC2)oc1N1CCN(Cc2ccc(Cl)cc2)CC1 29225124 ADPZIEBKCWDFDJ-UHFFFAOYSA-N 342.830 3.399 30 40 EGEB COc1ccc(/N=C(\C)c2c(O)c3ccccc3n(C)c2=O)cc1O 101161078 NNYLQFMZQRTGLP-RGVLZGJSSA-N 338.363 3.099 30 40 EGEB O=C(CNc1cccc(C#Cc2cccs2)c1)NCC(F)(F)F 29941132 DMPUZEKPEUBUFF-UHFFFAOYSA-N 338.354 3.238 30 40 EGEB C[C@H]1C[C@@H](C)CN(CCCCNC(=O)CCc2ccc(C#N)cc2)C1 47037825 OHKGJRKWSGFLAI-HDICACEKSA-N 341.499 3.365 30 40 EGEB O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1cccc(N2CCOC2=O)c1 48324563 OGYHGZPKANWCGS-BQYQJAHWSA-N 338.319 3.448 30 40 EGEB C#CCN(Cc1ccc(C)cc1)C(=O)c1cn(C)nc1-c1cccnc1 65897721 UAXLYMLVVUROFE-UHFFFAOYSA-N 344.418 3.066 30 40 EGEB COc1ccc(/C=C2\Oc3cc(O)cc(C)c3C2=O)c(OC)c1OC 6623988 UOZJLOKDDFHIDR-NVNXTCNLSA-N 342.347 3.343 30 40 EGEB biogenic Cc1c(Cl)cccc1NC(=O)CNc1ccc(C#N)cc1[N+](=O)[O-] 8777282 JCELPWKDNCTAFE-UHFFFAOYSA-N 344.758 3.479 30 40 EGEB CCCS(=O)(=O)/N=C(\O)c1cccc(Br)c1Cl 97056060 LWRTYRHZGAFIHN-UHFFFAOYSA-N 340.626 3.147 30 40 EGEB C=CCCS(=O)(=O)Nc1cnn(-c2ccccc2)c1C(F)(F)F 97139607 WPGJVEURRKPGKT-UHFFFAOYSA-N 345.346 3.209 30 40 EGEB CC[C@H](Oc1ccccc1C(C)C)C(=O)NC1(C#N)CCOCC1 95441860 FTWRNMQYOXGWHW-INIZCTEOSA-N 330.428 3.156 30 40 EGEB CCCCCCCc1nnc(SCC(=O)NC(C)(C)C)n1C 408560384 HHIAVFZCBCNIFL-UHFFFAOYSA-N 326.510 3.335 30 40 EGEB COc1nc(N)c2c3c([nH]c2c1C#N)C(C)(C)c1ccccc1N3C 31761008 PNOAPISGSJTERD-UHFFFAOYSA-N 333.395 3.433 30 40 EGEB CC[C@@H](C(=O)OC)N(C(=O)c1cc(C#N)cs1)c1ccccc1 84110292 WIKSSADLGWHXGE-AWEZNQCLSA-N 328.393 3.218 30 40 EGEB C=CCN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1cccs1 225136868 PWYQTEAKFIHFJI-UHFFFAOYSA-N 338.410 3.346 30 40 EGEB C=CCN(c1ccc(CC#N)cc1)S(=O)(=O)c1ccc(OC)cc1 224860152 PDHXDADJWDOJJH-UHFFFAOYSA-N 342.420 3.143 30 40 EGEB Cc1ccc([C@@H]2CCCN2C[C@H](O)CC2(C#N)CCOCC2)cc1 599247753 FLXRISYLCZDHIG-MOPGFXCFSA-N 328.456 3.203 30 40 EGEB CC(C)(C)OC(=O)N1CCc2ncc(N[C@H]3CC[C@H](C#N)C3)cc2C1 1615585257 QNVSDGDSICISJS-ZFWWWQNUSA-N 342.443 3.479 30 40 EGEB Cc1nc2nc(N3CCCCC3)nc(N)c2c(-c2ccccc2)c1C#N 13637621 DJKOQUIKFLUALX-UHFFFAOYSA-N 344.422 3.444 30 40 EGEB C[C@@](O)(C#C[C@@](O)(c1ccccc1)C(F)(F)F)c1ccccc1F 4334542 YZRQUFKFGIXVJU-IAGOWNOFSA-N 338.300 3.487 30 40 EGEB Cc1cc(C)cc(NC(=O)[C@@H]2CCCN2/C=C/C(=O)C(F)(F)F)c1 4119710 SMPFSTYFGAMXRA-DYLGSBMWSA-N 340.345 3.351 30 40 EGEB Cc1ccccc1NC(=O)C[C@@H]1S/C(=N/C2CCCCC2)NC1=O 12463110 MDXVLNWNJQBXFM-HNNXBMFYSA-N 345.468 3.244 30 40 EGEB C[C@H]1CN(CN2C(=O)/C(=N/c3ccccc3)c3ccccc32)C[C@H](C)O1 104164425 LBEGJLYBEASKPC-WIBYCNNDSA-N 349.434 3.221 30 40 EGEB CCOC(=O)c1c(NC=C2C(=O)CCCC2=O)sc2c1CCCC2 101012658 XMVOYKOXAMVGDR-UHFFFAOYSA-N 347.436 3.422 30 40 EGEB C=C1C(=O)[C@]23CC[C@H]4[C@@](C)(C(=O)OC)CCC[C@@]4(C)[C@H]2CC[C@@]1(O)C3 8655529 CAZYNLSCRWNLPJ-HZOSVIRRSA-N 346.467 3.422 30 40 EGEB Cc1ccc(S(=O)(=O)O[C@H]2[C@H]3[C@H]4S[C@H]5[C@H]2[C@@H]2[C@H]3CC[C@H]4[C@H]52)cc1 104055748 BNRVSUWIRICMPT-LZQHGNCDSA-N 348.489 3.085 30 40 EGEB N#C[C@H](C(=O)CCn1c(=O)oc2ccccc21)c1nc2ccccc2o1 41544138 ZHJKRADNICVTLA-GFCCVEGCSA-N 347.330 3.002 30 40 EGEB CSc1nc(C2CC2)cc(C(=O)Nc2cccc(CO)c2)c1C#N 53757778 GHSNOMPTAYSZHH-UHFFFAOYSA-N 339.420 3.297 30 40 EGEB C[C@@H]1C[C@H](C(N)=O)c2ccccc2N1Cc1cn2ccccc2c1C#N 58432969 STAANLJKROINLA-PBHICJAKSA-N 344.418 3.179 30 40 EGEB CC(=O)c1ccc(N2CCN(c3ncc(C#N)cc3Cl)CC2)cc1 69327814 CMKTZTBAABFHDS-UHFFFAOYSA-N 340.814 3.136 30 40 EGEB COc1ccc(OC)c(/C=N/O[C@H](C)C(=O)N(C)c2ccccc2)c1 14368424 YDUQIILNMGTINB-GNUZOCDUSA-N 342.395 3.106 30 40 EGEB Cc1ccc(N2C(=O)N(CCOc3ccc(C#N)cc3)C(=O)[C@H]2C)cc1 8638205 AYSNHMPARIVTSZ-OAHLLOKOSA-N 349.390 3.103 30 40 EGEB N#C[C@H](NC(=O)CCCOc1cccnc1)c1ccccc1Cl 80276901 RZKZRVRRCXHXAH-INIZCTEOSA-N 329.787 3.275 30 40 EGEB CCCNc1ccc(C#N)cc1NC(=O)[C@@H](C)NC(=O)C1CCCC1 95412981 JTBFTROEKNFTRB-CYBMUJFWSA-N 342.443 3.014 30 40 EGEB CC(C)(C)c1ccc([C@@H](C#N)NC(=O)[C@H]2CC23CCOCC3)cc1 98018636 YVTZZHUHDNNJAU-IAGOWNOFSA-N 326.440 3.482 30 40 EGEB N#Cc1ccc(N2CCN(c3nccs3)CC2)cc1C(F)(F)F 73831212 PLDCKFYUAMKPSF-UHFFFAOYSA-N 338.358 3.360 30 40 EGEB COc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)ccc1O 409035240 RQSJLTUCDYVSFO-IPKBDRFQSA-N 334.191 3.115 30 40 EGEB CCCCCCCCCNC(=O)c1c(O)n2cc(C)ccc2nc1=O 226821614 JJEYIJCPQUWCIQ-UHFFFAOYSA-N 345.443 3.189 30 40 EGEB COc1cccc([C@@H]2CCCN2c2ncnc3c2cnn3CCC#N)c1 97199991 XEMKDNBVEQIMMF-KRWDZBQOSA-N 348.410 3.090 30 40 EGEB N#CCCn1c(CC(=O)Nc2ccccc2[N+](=O)[O-])nc2ccccc21 4785971 ODHVLMTZNPXWNL-UHFFFAOYSA-N 349.350 3.039 30 40 EGEB COC(=O)[C@H](Cc1c[nH]c2ccccc12)/N=C/c1ccc(OC)cc1 19878514 PABBTEGCPNDYHY-CIPMJJFUSA-N 336.391 3.380 30 40 EGEB C[C@]12CN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@]3(C#N)C[C@@H]1CC[C@]23C 101023507 KDABRWTZSUITBK-RUGDWHBFSA-N 325.368 3.139 30 40 EGEB COc1cc(N2CCOCC2)ccc1/C=N\c1ccc([N+](=O)[O-])cc1 409239709 DGNWQLQXSXPMLL-UYRXBGFRSA-N 341.367 3.191 30 40 EGEB COc1cc(C#N)ccc1OCC(=O)N[C@H](C)c1cc(C)oc1C 58202878 FODXHTXEQHKJEX-GFCCVEGCSA-N 328.368 3.033 30 40 EGEB Cc1cc(C)cc(OCC(=O)O/N=C(\N)c2ccccc2Cl)c1 13635642 KRHNITUNFLTWJN-UHFFFAOYSA-N 332.787 3.199 30 40 EGEB C=CCC(CC=C)(CNC(=O)CCC(=O)O)c1ccc(OC)cc1 4689896 DLHRGLCAMIVMNI-UHFFFAOYSA-N 331.412 3.066 30 40 EGEB C=CC[C@@H](NC(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1)c1ccncc1 72285364 PIHDGFGZNRFZFP-IAGOWNOFSA-N 343.471 3.100 30 40 EGEB N#CCCN(CCC(F)(F)F)C(=O)[C@H]1CCOc2ccccc21 88219859 MNNXZCLQVQEOMX-ZDUSSCGKSA-N 326.318 3.247 30 40 EGEB Cc1ccc(CN(C(=O)OC(C)(C)C)[C@@H](CS)C(=O)O)cc1 64219690 HEUDASHHRIUXAH-ZDUSSCGKSA-N 325.430 3.115 30 40 EGEB N#Cc1cccc(NS(=O)(=O)c2cccc(Br)c2)c1 5126949 WJBCLJCQDYIAFE-UHFFFAOYSA-N 337.198 3.122 30 40 EGEB Cc1ccc(S(=O)(=O)N[C@]2(C=O)CCC[C@@H]3CCCC[C@@H]32)cc1 5809812 MNWXOSNCJLKFNN-SZMVWBNQSA-N 335.469 3.201 30 40 EGEB N#CCCn1cc(C(=O)N2CCCCC2)c(-c2ccc(F)cc2)n1 4516904 DXUJVUFZOCLQJC-UHFFFAOYSA-N 326.375 3.229 30 40 EGEB O=C(NCC#Cc1ccccc1)c1cc(Br)ccc1F 22509443 NTDKIYYPGDMPIK-UHFFFAOYSA-N 332.172 3.370 30 40 EGEB COc1cc2nc(NC(=O)c3ccc(C#N)cc3)sc2cc1OC 5187317 OCPFPNBHSMXEGY-UHFFFAOYSA-N 339.376 3.437 30 40 EGEB CC1(C)C[C@@H](NCc2nnc(-c3ccc(C#N)cc3)o2)C(C)(C)O1 97100443 ZMHUFZDEAWBROG-CQSZACIVSA-N 326.400 3.044 30 40 EGEB CC(C)COC(=O)CSc1nc(O)c(C#N)c(-c2ccccc2)n1 21658749 ZIEBWPDKKMSURT-UHFFFAOYSA-N 343.408 3.012 30 40 EGEB CCCCS(=O)(=O)/N=C(O)/C=C/c1cc(Cl)c2c(c1)OCO2 42343449 IXYBNOGPCHEBJU-SNAWJCMRSA-N 345.804 3.168 30 40 EGEB COc1ccc(/C(O)=N/S(=O)(=O)/C=C/c2ccccc2)cc1OC 42320741 LVMXWLWBALQPKH-ZHACJKMWSA-N 347.392 3.009 30 40 EGEB C[C@H](CCCO)NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 89895409 HLKMMPIKGAQEGU-CYBMUJFWSA-N 343.452 3.247 30 40 EGEB CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc2ccccc2[nH]1 47011633 ZLGQFGRJGHTFSE-UHFFFAOYSA-N 346.434 3.244 30 40 EGEB N#Cc1ccc(N2CCC(C(=O)Nc3ccc4c(c3)CCC4)CC2)nc1 24207306 LLUOVMPRDTWKGZ-UHFFFAOYSA-N 346.434 3.297 30 40 EGEB Cc1nn(C)c(Cl)c1[C@H]1CCCN1C(=O)Cc1ccc(C#N)cc1 75602428 KVUPUGVTKBEAJU-OAHLLOKOSA-N 342.830 3.160 30 40 EGEB N#CC1(C(=O)NCc2cccc(C(=O)N3CCCCC3)c2)CCCC1 58224368 LRWIILOUYPVKNI-UHFFFAOYSA-N 339.439 3.013 30 40 EGEB CCn1ccc2cc(NC(=O)CN(C)c3ccc(C#N)cn3)ccc21 58323663 HTVPNHGTBFKGJN-UHFFFAOYSA-N 333.395 3.003 30 40 EGEB COc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)O)ccc3C2=O)cc1 12879428 YAMNWOFORSYRRO-JWHLFPLYSA-N 340.331 3.163 30 40 EGEB biogenic C=CCNC(=O)CSc1nnc(Nc2cccc(C)c2C)s1 3463283 XIQABZCVBMEIPN-UHFFFAOYSA-N 334.470 3.293 30 40 EGEB Cc1ccc(N(CCC#N)C(=O)CCCNC(=O)C(C)(C)C)cc1C 69419291 XBXHQGXCMADFIH-UHFFFAOYSA-N 343.471 3.493 30 40 EGEB CN(Cc1cccc(C#N)c1)C(=O)NCCc1ccc(N(C)C)cc1 65521858 UDHVLDVOTDQBBL-UHFFFAOYSA-N 336.439 3.008 30 40 EGEB CNc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 5693185 KJUUKZMDZUMUHG-YCRREMRBSA-N 327.296 3.441 30 40 EGEB O=C(/C=C/c1ccc(N2CCOCC2)cc1)c1ccc2c(c1)OCO2 7586969 ZKVDTYOIXAIWMM-XVNBXDOJSA-N 337.375 3.148 30 40 EGEB N#Cc1ccc(C(=O)Nc2nccn2Cc2ccccc2Cl)nc1 72286065 XPYDWOYDUOTJKW-UHFFFAOYSA-N 337.770 3.104 30 40 EGEB Cc1cn2c(CCC(=O)N[C@@H](C#N)c3ccccc3F)csc2n1 95418455 IVNZGUTVMJFNKE-HNNXBMFYSA-N 342.399 3.157 30 40 EGEB N#Cc1c(-c2ccc(O)c([N+](=O)[O-])c2)c(-c2ccccc2)c[nH]c1=N 408976240 ACAWDXPBZINVII-UHFFFAOYSA-N 332.319 3.314 30 40 EGEB CC(=O)N[C@H](CC(=O)[C@H](C#N)c1ccccn1)c1ccc(Cl)cc1 49457174 DUJFPXGHSQIBCV-NVXWUHKLSA-N 341.798 3.179 30 40 EGEB C=CCN1C(=O)/C(=C/c2ccc(N(CC)CC)cc2)C(O)=NC1=S 208533 CLHOMIRRHFTDEW-NTCAYCPXSA-N 343.452 3.186 30 40 EGEB Cc1cc(C)c(C#N)c(N2CCC(COc3cc(C#N)ccn3)CC2)n1 1889108549 KLPDEMVTBLYYED-UHFFFAOYSA-N 347.422 3.132 30 40 EGEB C[C@@H]1CC(=O)c2sc(NC=C3C(=O)c4ccccc4C3=O)nc2C1 100936697 LIRHFOYHPNGJHI-VIFPVBQESA-N 338.388 3.283 30 40 EGEB C=CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1Cl 6022266 GIEAXPBAUVVJTB-KRWDZBQOSA-N 343.810 3.410 30 40 EGEB CSC(/N=C\N(C)C)=N/N=C(\C)c1ccc(Br)cc1 104244918 ZVFBGKJLSGQLKE-WEFBBSAYSA-N 341.278 3.482 30 40 EGEB CCN1CCN(c2ccc(NC(=O)c3cccc(C#N)c3)cc2C)CC1 21759542 RJHDKIXHGIDCLA-UHFFFAOYSA-N 348.450 3.261 30 40 EGEB C[C@H](C#N)CN(C)C(=O)c1cccc(OCc2ccccc2C#N)c1 58061107 BQUNKTFWLMHFKZ-OAHLLOKOSA-N 333.391 3.369 30 40 EGEB C=CCN1C(=O)c2ccccc2N[C@H]1c1ccc(-n2cncn2)cc1 28511172 CEHQRAGCIFYKKV-GOSISDBHSA-N 331.379 3.020 30 40 EGEB N#Cc1ccc(CNC(=O)Nc2ccn(-c3ccccc3)n2)c(F)c1 69698664 MRWIYEDOZTZERS-UHFFFAOYSA-N 335.342 3.205 30 40 EGEB CO/N=C/c1c(Sc2ccc(Cl)cc2)nc2ccccn2c1=O 4892225 MJHGLXPPWIIUNN-VCHYOVAHSA-N 345.811 3.479 30 40 EGEB Cn1cc(C[C@H]2CCN(c3ccc(C#N)c(C(F)(F)F)c3)C2)cn1 80672972 WYHHPHQTNQTHSZ-GFCCVEGCSA-N 334.345 3.380 30 40 EGEB CC[C@@H]1c2ccsc2CCN1CC(=O)NC1(C#N)CCCCC1 9726790 ULLBBUNCZFVLPM-OAHLLOKOSA-N 331.485 3.400 30 40 EGEB Cc1nn(Cc2ncc(-c3ccc(Cl)cc3)o2)c(=O)c(C#N)c1C 24962903 YSNOYNFEJQHQDG-UHFFFAOYSA-N 340.770 3.089 30 40 EGEB C#CCOc1cccc([C@@H](C)NC(=O)Cc2ccc(Cl)nc2)c1 95394722 KIWMNQUENLHNEQ-CYBMUJFWSA-N 328.799 3.167 30 40 EGEB COc1ccc2[nH]cc(C[C@H](C#N)C(=O)Nc3ccc(O)cc3)c2c1 61717868 BDDIEKFZLRMQLB-GFCCVEGCSA-N 335.363 3.203 30 40 EGEB CC1(C)CC(=O)C2=C(C1)Nc1nonc1N[C@@H]2c1cccc(F)c1 12390989 DMEFGPRJZJXBGQ-CQSZACIVSA-N 328.347 3.431 30 40 EGEB COc1cc(/C=C/c2nc(C(=O)O)ccc2C#N)cc(Cl)c1O 32815039 IJJGMGVYFVLQII-DUXPYHPUSA-N 330.727 3.189 30 40 EGEB CC(=O)CCc1ccc(O[C@@H](C)C(=O)Nc2ccc(C#N)cc2)cc1 32957755 PXNIYZOGWGFSCK-HNNXBMFYSA-N 336.391 3.486 30 40 EGEB N#CCCSc1nc2ccccc2c2nc(-c3ccncc3)nn12 9938018 ONPKXRZRHZEDDN-UHFFFAOYSA-N 332.392 3.345 30 40 EGEB O=C1OC(c2ccccc2)=N/C1=N/Nc1cccc(C(F)(F)F)c1 12376073 GLUUAQNCPYUWHN-LPYMAVHISA-N 333.269 3.434 30 40 EGEB COc1cccc(/C=N/OCCOc2ccccc2C(C)=O)c1OC 23714661 JAKHZBBEOGGRJT-DEDYPNTBSA-N 343.379 3.336 30 40 EGEB COc1cc(C(=O)/C=C/NCc2ccccc2)cc(OC)c1OC 6187470 BNGVVTJLQHVWSM-MDZDMXLPSA-N 327.380 3.199 30 40 EGEB COc1ccc(NC(=O)c2ccc[n+](CC(=O)c3ccccc3)c2)cc1 28114332 XODXAQLECXGFGK-UHFFFAOYSA-O 347.394 3.118 30 40 EGEB NC(=O)COc1ccc(/C=N\c2cccc(Br)c2)cc1 408809047 HDCPCNCHAMTYGP-NVMNQCDNSA-N 333.185 3.064 30 40 EGEB CCOC(=O)[C@H]1CCCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C1 40103395 MAEXENYONSVULJ-LBPRGKRZSA-N 335.791 3.019 30 40 EGEB N#C[C@H]1CCC[C@@H](Nc2cccc(OCC(=O)N3CCCC3)c2)C1 193094118 VJJAXONNJDYULS-JKSUJKDBSA-N 327.428 3.182 30 40 EGEB COc1ccc(Br)cc1NC(=O)N(CCC#N)C1CC1 96434265 JMWCIRPOJWMACK-UHFFFAOYSA-N 338.205 3.368 30 40 EGEB COc1cc(/C=N/NC(N)=S)cc(Cl)c1OCc1ccccc1 13747288 HCVQJPCQQSHEON-DJKKODMXSA-N 349.843 3.095 30 40 EGEB N#Cc1nccnc1O[C@H]1CC[C@H](NC(=O)CCC2CCCC2)CC1 252570389 WPTRFUWLVSZDAL-WKILWMFISA-N 342.443 3.125 30 40 EGEB N#Cc1cccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1 32819566 NCAICRXNVQTDSJ-QGZVFWFLSA-N 334.375 3.307 30 40 EGEB CC1(C)[C@H]2CC[C@@]1(C)/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2=O 103722986 MUGWRNJDZWKRAM-SKRZHSQVSA-N 346.343 3.296 30 40 EGEB CCC[C@]1(c2ccccc2)NC(=O)N(Cc2ccc(C#N)cc2)C1=O 12569119 VPEYERASCJJSGU-HXUWFJFHSA-N 333.391 3.306 30 40 EGEB CC(C)[C@H](NC(=O)COc1ccccc1C#N)c1nc2ccccc2[nH]1 12632320 RMKYWLNVBATWOC-IBGZPJMESA-N 348.406 3.327 30 40 EGEB COc1ccc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1[N+](=O)[O-] 409069531 VXJIDTANWYRCOU-FBCYGCLPSA-N 340.261 3.463 30 40 EGEB C#CCOc1c(CC=C)cc(/C=C2\SC(=O)N(C)C2=O)cc1OC 408814163 RTAQDOQJLLUSJI-PTNGSMBKSA-N 343.404 3.102 30 40 EGEB CCOC(=O)c1cccc(/N=C/c2cc3c(cc2OC)OCO3)c1 409069431 XRASOFFZKBVBKQ-VXLYETTFSA-N 327.336 3.351 30 40 EGEB N#Cc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2)c(F)c1 409210672 JZXWVHMGKDCRMQ-UHFFFAOYSA-N 332.718 3.146 30 40 EGEB N=C1N=C(c2ccccc2)/C(=N/Nc2ccc3c(c2)OCCO3)S1 6923388 VHHDCHLQFTUEPV-AFNOBKQPSA-N 338.392 3.354 30 40 EGEB COc1cccc(/C=N/O[C@H](C)C(=O)N(C(C)C)C(C)C)c1OC 15392744 OSKZEDCEBHEKQI-HIPSJFSSSA-N 336.432 3.088 30 40 EGEB CC(=O)c1ccc(-c2ccc(/C=N\N3C(=O)CSC3=S)o2)cc1 409329418 FMMFBEIDCNUAJG-IUXPMGMMSA-N 344.417 3.343 30 40 EGEB N#Cc1cccc(C(=O)NCCCn2ncc3c(Cl)cccc32)c1 71196092 AESHRYKPQRKKDO-UHFFFAOYSA-N 338.798 3.381 30 40 EGEB C#CCN1CCCC[C@@H]1C(=O)N[C@@H]1CCSc2ccc(C)cc21 72270368 RJEHKAOAKJWPDO-IAGOWNOFSA-N 328.481 3.136 30 40 EGEB COc1c([C@@H]2CCCN2Cc2cc(C#N)ccc2F)c(C)nn1C 72253715 QQCIJNSPWQPDSC-INIZCTEOSA-N 328.391 3.085 30 40 EGEB N#Cc1nc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)[nH]c1C#N 95393140 BIYSYZAPOCSBBP-NXEZZACHSA-N 346.177 3.202 30 40 EGEB COc1ccc([C@H](C#N)NC(=O)c2cc(F)ccc2C)c(OC)c1 95453847 MNVITHHIPYOURJ-INIZCTEOSA-N 328.343 3.146 30 40 EGEB C=CCN(C(=O)NCC[S@](=O)Cc1ccccc1)c1ccccc1 95960362 GPXOWBNXAKGYPP-XMMPIXPASA-N 342.464 3.338 30 40 EGEB Cc1c(CN2CCC[C@H](C(=O)Nc3ccccc3)C2)cc(C#N)n1C 96489519 GSRYPSJGOQQJAQ-INIZCTEOSA-N 336.439 3.056 30 40 EGEB N#C[C@H](C(=O)c1cccc(-n2cccn2)n1)c1nc2ccccc2s1 390833793 NEJFAOPUEXTXQU-GFCCVEGCSA-N 345.387 3.367 30 40 EGEB N#Cc1ccc(COC(=O)COc2ccc(Br)cc2)cc1 5989977 QPDVJRFPULPIRL-UHFFFAOYSA-N 346.180 3.443 30 40 EGEB N#CC1(C#N)[C@@H](c2cccs2)O[C@@]23CCCC[C@H]2[C@]1(C#N)C(=N)O3 5055101 PADCIVFBXXREEE-NSNWQYSKSA-N 338.392 3.257 30 40 EGEB C[C@@](O)(C#C[C@](O)(c1ccccc1)C(F)(F)F)c1ccccc1F 2379374 YZRQUFKFGIXVJU-SJORKVTESA-N 338.300 3.487 30 40 EGEB C=CCN1c2ccccc2N[C@@H]2[C@@H]1[C@@H](C(C)=O)C(=O)N2c1ccccc1 4624366 DDDSBDPXUPSYNO-AABGKKOBSA-N 347.418 3.051 30 40 EGEB COc1ccc(/C=C/C(=O)c2cccc(N3CCOCC3)c2)cc1O 11334653 AXIJIGCFZCMMQJ-FNORWQNLSA-N 339.391 3.134 30 40 EGEB N#CCc1ccc(OC[C@H](O)CN(Cc2cccs2)C2CC2)cc1 51407820 DPMYLMZPEJNJEC-QGZVFWFLSA-N 342.464 3.218 30 40 EGEB C=CCOC(=O)c1cnc2nc(-c3ccc(Cl)cc3)nn2c1C 9926682 DZRQHAXTRKVQQH-UHFFFAOYSA-N 328.759 3.096 30 40 EGEB CC(=O)N1CCc2cc(C(=O)[C@H](C#N)c3nc4ccccc4o3)ccc21 41542985 XEUVSTZQRDSCIR-HNNXBMFYSA-N 345.358 3.227 30 40 EGEB N#Cc1cc([N+](=O)[O-])ccc1NC[C@H](O)c1ccc(OC(F)F)cc1 71910173 SIEKBKLAUVXFPA-HNNXBMFYSA-N 349.293 3.213 30 40 EGEB N#Cc1ccc(CN2CCCN(C(=O)c3ccsc3)CC2)c(F)c1 54363338 SIXKPODMOUEWJY-UHFFFAOYSA-N 343.427 3.107 30 40 EGEB N#CCCCN1CCN(Cc2csc(-c3ccccc3)n2)CC1 54993157 HRDXJXSSYBDHNB-UHFFFAOYSA-N 326.469 3.231 30 40 EGEB CCCC1=[N+](CC(=O)c2ccc(OCC)cc2)CCn2cccc21 1857531 BHGUJWCBGOCWJZ-UHFFFAOYSA-N 325.432 3.385 30 40 EGEB Cc1c(/C=N/n2cnnc2)c2ccccn2c1C(=O)c1ccc(F)cc1 3255084 WFXPRHQFNJQOJB-AUEPDCJTSA-N 347.353 3.092 30 40 EGEB O=C(C[n+]1cc(-c2ccc(F)cc2)n2c1CCC2)c1cccs1 16956572 WZTXAZAKDIDZQN-UHFFFAOYSA-N 327.404 3.472 30 40 EGEB N#Cc1c(NC(=S)NC(=O)c2ccccc2F)sc2c1CCC2 4699732 LRPAQNNWGQIVMV-UHFFFAOYSA-N 345.424 3.374 30 40 EGEB CCCOc1ccc([C@H]2CC(=O)NC3=C2C(=O)CCC3)cc1OC 4912982 YWDGVCNFZJNHQE-CYBMUJFWSA-N 329.396 3.095 30 40 EGEB N#Cc1ccc(CN(Cn2cc(Cl)cn2)CC(F)(F)F)cc1 67710660 FZUWBSRJAXVMNX-UHFFFAOYSA-N 328.725 3.430 30 40 EGEB Cc1ccc([C@H](CNCc2ccc(C#N)cc2)N2CCOCC2)s1 75603928 SVNOKAMFVJQOLJ-SFHVURJKSA-N 341.480 3.091 30 40 EGEB C[C@@H]1CCN(CCOc2ccc(NC(=O)C3(C#N)CCC3)cc2)C1 73303113 DOZSBEYFIFITJF-OAHLLOKOSA-N 327.428 3.040 30 40 EGEB Cc1nc(-c2ccccc2)nc(SCC(=O)N2CCCC2)c1C#N 27789334 WBVHPVZLWXYJSG-UHFFFAOYSA-N 338.436 3.038 30 40 EGEB N#Cc1c(N)nc(SCc2cccc(F)c2)nc1C(F)(F)F 225894535 SCKLVFABIWOWFX-UHFFFAOYSA-N 328.294 3.381 30 40 EGEB CCn1c([C@H](C)NC(=O)COc2ccccc2C#N)nc2ccccc21 68174286 VKBFGQBUXBUXRJ-AWEZNQCLSA-N 348.406 3.184 30 40 EGEB O=C(c1ccccc1)[C@H]1O[C@@]12C(=O)Nc1c(Cl)cc(Cl)cc12 1624362 FTUTYMVOKVWCIV-GDBMZVCRSA-N 334.158 3.423 30 40 EGEB CCOc1cc(Cl)c(/C=C2\S/C(=N/C)N(C)C2=O)cc1OC 59104874 DUWVVACZUSNAKR-LFFFLEMFSA-N 340.832 3.279 30 40 EGEB CN1C(=O)CS/C1=N\c1cnn(Cc2cccc3ccccc23)c1 101647511 KQKWQICMBDGLKC-ZZEZOPTASA-N 336.420 3.277 30 40 EGEB Oc1ccc(/C=N/n2c(S)nnc2-c2ccccc2)cc1Cl 409059540 RZJHPESUJVLRGG-RQZCQDPDSA-N 330.800 3.475 30 40 EGEB CCCCS(=O)(=O)/N=C(\O)Cc1c[nH]c2ccc(Cl)cc12 95399979 JBIXQZWDRCNMMP-UHFFFAOYSA-N 328.821 3.450 30 40 EGEB COc1cc2c(cc1OC)C(=O)/C(=C\c1ccc3c(c1)OCCO3)C2 85875322 OZCYRGJGENFECA-AUWJEWJLSA-N 338.359 3.297 30 40 EGEB biogenic C=CCN(CC=C)S(=O)(=O)c1cc(Cl)c(OC)cc1Cl 517963765 VVQFJDBDCHZRMU-UHFFFAOYSA-N 336.240 3.365 30 40 EGEB COc1ccc(F)cc1S(=O)(=O)Nc1ccc(C2(C#N)CC2)cc1 223023812 ZYWZYKLXEFVLFK-UHFFFAOYSA-N 346.383 3.190 30 40 EGEB COc1cccc(-c2noc([C@H](C)NC(=O)C3(C#N)CCCC3)n2)c1 96432734 NBCKDIDUAQHJFM-LBPRGKRZSA-N 340.383 3.006 30 40 EGEB COc1ccc(C(=O)O/N=C2\C=C(C(C)C)C(=O)C=C2C)cc1OC 5042807 HEKONKZCVCLEDL-HMMYKYKNSA-N 343.379 3.328 30 40 EGEB N#Cc1cccc(NC(=O)CCCC(=O)Nc2cccc(C#N)c2)c1 142595 IQEMAWULKVFTRG-UHFFFAOYSA-N 332.363 3.177 30 40 EGEB CCOc1cc(C#N)c(Br)c(Br)c1OC 296151 BXSCLRPCJWDQOV-UHFFFAOYSA-N 334.995 3.491 30 40 EGEB C=CCn1nnnc1NCc1cccc(OCc2ccccc2F)c1 6856471 OGFSRVYTZFZYAZ-UHFFFAOYSA-N 339.374 3.189 30 40 EGEB Cc1nn(C)c2nc(C(C)C)cc(C(=O)[C@@H](C#N)c3ccccn3)c12 41482299 NNSASTBUGRQKPO-AWEZNQCLSA-N 333.395 3.285 30 40 EGEB O=C1/C(=C/c2ccccc2)CCC[C@@H]1[C@@]1(O)C(=O)Nc2ccccc21 55175154 KUCATJLZZZMPTP-LXHXQKEUSA-N 333.387 3.279 30 40 EGEB O=C1COc2ccc(C(=O)/C=C/c3ccc(-n4cccn4)cc3)cc2N1 24257960 RALFJKYSGIBYBQ-XBXARRHUSA-N 345.358 3.099 30 40 EGEB C=CCN(CC(F)(F)F)C(=O)CCc1cc(OC)cc(OC)c1 58377523 RJBUEDQGODRJHW-UHFFFAOYSA-N 331.334 3.213 30 40 EGEB Cc1cc(CN(C)C(=O)Nc2cccc(OCCCC#N)c2)no1 47736677 RHRGXEZSWSTMOE-UHFFFAOYSA-N 328.372 3.330 30 40 EGEB CCN1C/C(=C/c2ccc(O)cc2)C(=O)/C(=C/c2ccc(O)cc2)C1 12604479 LWANLXZMWJRMCG-MJZABRMRSA-N 335.403 3.469 30 40 EGEB C[C@@H]1CCCC[C@@H]1NC(=O)CO/N=C/c1ccc(OC(F)F)cc1 3332579 KFKWDBQLYKECIZ-VDBYYVMVSA-N 340.370 3.333 30 40 EGEB CCCCN(CC)c1nc2ccccc2nc1[C@H](C#N)C(=O)OC 13007033 RWCIDLNMQZJTBJ-ZDUSSCGKSA-N 326.400 3.036 30 40 EGEB COc1ccc(Br)cc1/C=N/Nc1oc(C)nc1C#N 4276494 SRKNUFBHOITDKK-FRKPEAEDSA-N 335.161 3.072 30 40 EGEB C=CCN1C(=O)S/C(=C\c2cc(Cl)cc(OC)c2O)C1=O 13881378 HBSWTWXEPSMTIP-WDZFZDKYSA-N 325.773 3.277 30 40 EGEB CN1CCc2nc(N)c(C#N)c(-c3ccc(Cl)cc3Cl)c2C1 18222907 QPZLCHJCJNSNEM-UHFFFAOYSA-N 333.222 3.497 30 40 EGEB N#Cc1ccccc1Oc1ccccc1C(=O)NC1CCC(O)CC1 96496409 LJFSNXBCHGBHFH-UHFFFAOYSA-N 336.391 3.384 30 40 EGEB N#C[C@@H](NC(=O)c1cnn(-c2ccccc2)c1)c1ccc(F)cc1F 71890193 WPVRJFWWGCYLHD-QGZVFWFLSA-N 338.317 3.145 30 40 EGEB Cc1cc([N+](=O)[O-])ccc1/N=C/c1cn(CC(N)=O)c2ccccc12 409384864 GBGPYLCJHPXYOQ-AWQFTUOYSA-N 336.351 3.094 30 40 EGEB O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1cccc2ccccc12 239125211 KCWQNWPQOBZSRR-IPJCAIGPSA-N 342.398 3.227 30 40 EGEB CCOc1cc(C=Nn2c(S)nnc2-c2ccccc2)ccc1O 253617002 SACZZWMQWVSXID-UHFFFAOYSA-N 340.408 3.220 30 40 EGEB Cc1ccc([C@](O)(C#CI)c2cccnc2)cc1 255189654 RGJGZCUJUQKJMD-OAHLLOKOSA-N 349.171 3.022 30 40 EGEB O=S(=O)(Nc1ccccn1)c1ccc(/N=C/c2cccnc2)cc1 6057163 DZOBLEUSUJXLSP-DEDYPNTBSA-N 338.392 3.028 30 40 EGEB COC(=O)c1cccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)c1 118929 YXFXJSDMAFOQHZ-UHFFFAOYSA-N 341.750 3.415 30 40 EGEB C=CCNS(=O)(=O)c1ccc(Br)c(OCCCC)c1 36638840 KWQRGCHELYJQKC-UHFFFAOYSA-N 348.262 3.092 30 40 EGEB Cc1cc(C(=O)OCC(=O)N(CCC#N)c2ccccc2)c(C)o1 3256175 YMJNFCWEDOTJAL-UHFFFAOYSA-N 326.352 3.000 30 40 EGEB N#Cc1cccnc1NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 52162864 RDMMLISQQHXKOH-UHFFFAOYSA-N 347.344 3.448 30 40 EGEB CCOc1cc(/C=N\NC(=S)Nc2ccc(F)cc2)ccc1O 56689524 TXENADAVLFYPIM-ZDLGFXPLSA-N 333.388 3.251 30 40 EGEB C[C@@H](Oc1ccccc1Br)C(=O)N(CCC#N)C1CC1 71916125 HIXPHZLVMLTIGG-LLVKDONJSA-N 337.217 3.121 30 40 EGEB C[C@]12CN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@]3(C#N)C[C@@H]1CC[C@@]23C 101023510 KDABRWTZSUITBK-MGHWNKPDSA-N 325.368 3.139 30 40 EGEB C#CCN1CCC(C(=O)N2CCC[C@H]2Cc2ccccc2Cl)CC1 58290511 SIBHTXZZAZRHDN-SFHVURJKSA-N 344.886 3.219 30 40 EGEB O=C(/C(Cl)=C/Nc1ccc(Br)cn1)C(F)(F)F 37868916 AFYLTZKQGSVMBB-XQRVVYSFSA-N 329.503 3.468 30 40 EGEB Cc1ccccc1[C@H]1CN(C(=O)Cc2ccc(C#N)cc2)[C@@H](C)CO1 174389104 WPARXJDAJFNLLQ-OXJNMPFZSA-N 334.419 3.398 30 40 EGEB CC[C@@H]1c2ccsc2CCN1S(=O)(=O)c1cccc(C#N)c1 14121112 HRGVBEFDZPFXEH-OAHLLOKOSA-N 332.450 3.318 30 40 EGEB O=C1CCCC2=C1[C@@H](c1ccc(Cl)c(Cl)c1)n1nnnc1N2 18196055 FHVBLRRUURICFQ-CYBMUJFWSA-N 336.182 3.002 30 40 EGEB N#Cc1ccc(NC(=O)COC(=O)Cc2ccc(F)cc2)cc1Cl 6887277 NLDOTHREUXAKOG-UHFFFAOYSA-N 346.745 3.075 30 40 EGEB COc1ccc([C@@H](C#N)NC(=O)c2cc(F)ccc2C)c(OC)c1 95453848 MNVITHHIPYOURJ-MRXNPFEDSA-N 328.343 3.146 30 40 EGEB CC[C@@H](NC[C@H](O)c1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 95984561 LNMLDUQBCZYEMI-MSOLQXFVSA-N 338.407 3.104 30 40 EGEB N#CCCCS(=O)(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl 79097926 XGRIOHPICTWIQY-GFCCVEGCSA-N 333.240 3.204 30 40 EGEB Cc1ccc(S(=O)(=O)N/N=C/c2cccn2-c2ccccc2)cc1 33935259 ZUZMQGZKNJBYBY-XMHGGMMESA-N 339.420 3.098 30 40 EGEB N#Cc1ccc(N2CCC(c3ccc(Br)cc3)CC2)nn1 225698621 CAGGVEGRCDZOMR-UHFFFAOYSA-N 343.228 3.495 30 40 EGEB C=CCN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(OC)cc1 224866380 QSCFBSHIKOYZAA-UHFFFAOYSA-N 339.363 3.355 30 40 EGEB CCO[C@]1(C(=O)Nc2ccc(OC(C)=O)c(C#N)c2)CCC[C@@H](C)C1 225833483 PXAWPTMDGQGUAO-BFUOFWGJSA-N 344.411 3.407 30 40 EGEB N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccnc(C2CC2)n1 610598450 GFOIGOGCSVYMRU-SJLPKXTDSA-N 332.407 3.266 30 40 EGEB N#Cc1c(Cn2cnc3cc(Cl)ccc3c2=O)cn2ccccc12 14903113 FMCMSYRPKSZXJW-UHFFFAOYSA-N 334.766 3.223 30 40 EGEB O=C(O)c1ccc(/C=N/n2cnnc2SCc2ccccc2)cc1 5486732 XEYVDBMBLAJAHG-VXLYETTFSA-N 338.392 3.151 30 40 EGEB C=C1[C@H]2CC[C@@]3(CC[C@H]4[C@@]5(CCC[C@@]4(C)CN(CC)C5)[C@@H]3[C@H]2O)[C@@H]1O 253596090 MZIQVPAVAJXVOK-ZACPWLRCSA-N 345.527 3.213 30 40 EGEB biogenic CC(C)[C@@](C)(C#N)NC(=O)CNc1ccc(OC(F)(F)F)cc1 40473208 GHAXBURTPJKBKC-CQSZACIVSA-N 329.322 3.052 30 40 EGEB N#Cc1ccc(CN2CCC(NC(=O)CCc3ccccc3)CC2)cc1 40540491 ZHBNXHAWCNRUPR-UHFFFAOYSA-N 347.462 3.272 30 40 EGEB C[C@H]1S/C(=N\c2ccccc2)N(S(=O)(=O)c2ccccc2)C1=O 100842609 XJVYTMOFCZTFCV-WGKGOADCSA-N 346.433 3.027 30 40 EGEB C[C@H]1CN(c2ccccc2NC(=O)N(CCC#N)C2CC2)C[C@H](C)O1 71920216 TWWNFJLDEVKGQN-GJZGRUSLSA-N 342.443 3.210 30 40 EGEB N#Cc1ccccc1NC(=O)c1cccc(I)c1 569263 PNCFYVUVSOKAGE-UHFFFAOYSA-N 348.143 3.415 30 40 EGEB COC(=O)CCn1nc(C)c(/C=C/C(=O)c2ccc(F)cc2F)c1C 58344367 USENSGKWZVOSOJ-VOTSOKGWSA-N 348.349 3.237 30 40 EGEB Cc1nccc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)n1 58356230 VCSWANLDHMQSEX-UHFFFAOYSA-N 345.362 3.405 30 40 EGEB N#Cc1cccc(NC(=O)COC(=O)c2ccc(C(F)(F)F)cc2)c1 5111683 XJAWLABWGWHUIY-UHFFFAOYSA-N 348.280 3.373 30 40 EGEB N#Cc1ccc2c(ccn2CC(=O)Nc2ccnn2-c2ccccc2)c1 19300810 NBQVEPYIUJVRAU-UHFFFAOYSA-N 341.374 3.337 30 40 EGEB COCCOc1ccc(/C=C/C(=O)c2ccc3c(c2)CC(=O)N3)cc1 72270490 GLQDWCDSJKNZOS-RUDMXATFSA-N 337.375 3.103 30 40 EGEB N#Cc1c(CN2CCC[C@H]2c2noc(C3CC3)n2)cn2ccccc12 76047610 HFGGIRCTHADKSD-KRWDZBQOSA-N 333.395 3.408 30 40 EGEB COc1cc(OC)c([N+](=O)[O-])cc1/C=N/c1oc(C)c(C)c1C#N 408723285 PZDZJHDIWBRGFL-QGMBQPNBSA-N 329.312 3.444 30 40 EGEB O=C1/C(=N\Nc2ccccn2)c2cc(Cl)ccc2N1C1CSC1 223740324 XKZLKQDHVHFXQX-HKWRFOASSA-N 344.827 3.013 30 40 EGEB CC(C)(C)n1ncc(C(=O)N2CCC[C@](C)(C#N)C2)c1C(F)(F)F 612368941 OWFSGUXWPOMVHO-OAHLLOKOSA-N 342.365 3.423 30 40 EGEB Cc1ccc(S(=O)(=O)N/N=C/c2ccc(OC(C)C)cc2)cc1 5746331 NUAXILQTEBFTEN-LDADJPATSA-N 332.425 3.095 30 40 EGEB CC1(C)CC(=O)C([C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2=O)=C(O)C1 101264913 XEYATQLRVGDXES-JTQLQIEISA-N 349.333 3.046 30 40 EGEB Cc1cccc(NC(=O)[C@@H]2CCCN(Cc3cc(C#N)cs3)C2)n1 91686516 ARAJZHZMNOOBPM-OAHLLOKOSA-N 340.452 3.174 30 40 EGEB O=C1CC(c2cccc(Cl)c2)CC(=O)C1=C1N[C@H]2CCCC[C@H]2N1 9287875 YPKQQCKHIUJHRE-LQDVMPOASA-N 344.842 3.071 30 40 EGEB C=CCNC(=O)N[C@@H](C)c1ccc(OCc2ccncc2)c(OC)c1 57441237 QADIMPMQTQOOTB-AWEZNQCLSA-N 341.411 3.215 30 40 EGEB C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC/C2=C/CO 118913140 FIMYJWIQTVIDQB-PKJGFKEFSA-N 328.452 3.184 30 40 EGEB in-vitro Cc1oc(C)c(C(=O)Nc2ccc(-n3ncc(C#N)c3N)cc2)c1C 58227398 ZDNRMPMTPZFTCB-UHFFFAOYSA-N 335.367 3.097 30 40 EGEB C=CCO[C@@H](C)C(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1 58316200 PETAIJHXTXXCEW-NSHDSACASA-N 348.424 3.357 30 40 EGEB COc1ccccc1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 12904559 MUWXROOMMOEFCJ-UHFFFAOYSA-N 333.309 3.496 30 40 EGEB COc1cc(/C=N/Nc2ccccc2[N+](=O)[O-])cc(OC)c1OC 3896813 IKRRFUFCPFSPDI-LICLKQGHSA-N 331.328 3.067 30 40 EGEB C=CCCO[C@@H](C)/C(O)=N/S(=O)(=O)c1ccc(Cl)cc1F 65655514 HNKIRSPSANUEJK-VIFPVBQESA-N 335.784 3.106 30 40 EGEB C=CCN1C(=O)S/C(=C/c2ccc(O)c(Br)c2)C1=O 4679669 NSLFPTGBNDVPHQ-YRNVUSSQSA-N 340.198 3.377 30 40 EGEB C[C@H](OC(=O)c1cc2c(s1)CCC2)C(=O)Nc1sccc1C#N 7258068 FSOJEALIWHNQHI-VIFPVBQESA-N 346.433 3.354 30 40 EGEB CS[C@H](C)/C(O)=N/S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 78612399 CRPOGJQQDRJFNZ-ZCFIWIBFSA-N 345.339 3.241 30 40 EGEB N#C[C@H]1CCCC[C@@H]1OC(=O)C1CCN(C(=O)c2ccccc2)CC1 96441999 COUKHNMYSLETNC-MSOLQXFVSA-N 340.423 3.164 30 40 EGEB C[C@H](N[C@H]1CCN(c2sccc2C#N)C1=O)c1ccc(F)c(F)c1 84647919 LVXVZYNVRXQSFR-BONVTDFDSA-N 347.390 3.354 30 40 EGEB C[C@H](CC#N)N(C)C(=O)Nc1ccc(I)cc1 86280109 JUFHDYZRBGXIKR-SECBINFHSA-N 343.168 3.057 30 40 EGEB O=C(/C=C1\NCCc2cc3c(cc21)OCO3)C[C@H]1C[C@H]2CC[C@@H]1C2 4090184 CBAXMSGGEBAKNN-HPRLFCLLSA-N 325.408 3.297 30 40 EGEB O=C1CCCC2=C1[C@@H](c1cccc(Br)c1)n1ncnc1N2 67001 CPPMKZOWANCDIU-CQSZACIVSA-N 345.200 3.063 30 40 EGEB CCN(C[C@H](C)C#N)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 40539798 DVONUKVXAZXNSG-CYBMUJFWSA-N 340.402 3.122 30 40 EGEB O=C(O)COc1ccccc1/C=N/Nc1ncc(Cl)cc1Cl 7860021 UEOHQAMCZZNUGD-NGYBGAFCSA-N 340.166 3.298 30 40 EGEB CCOc1ccc(C#N)cc1NC(=O)Cc1cn2cccc(C)c2n1 69566980 OHYROMJLMWHNCD-UHFFFAOYSA-N 334.379 3.094 30 40 EGEB COc1c2c(cc3c1[C@@H](CC(=O)C=C(C)C)[N+](C)(C)CC3)OCO2 526449 RCGNQIQZSCIAIH-OAHLLOKOSA-N 332.420 3.023 30 40 EGEB biogenic O=C(/C=C/c1nccn1CC(F)(F)F)c1csc(C(=O)O)c1 106586797 QDAQAXTUVAZEDP-OWOJBTEDSA-N 330.287 3.101 30 40 EGEB Cc1ccc(-n2c(C)cc(/C=N/Nc3nc(C)cc(=O)[nH]3)c2C)cc1 12534004 BRRPYGHUZUUCHA-RGVLZGJSSA-N 335.411 3.240 30 40 EGEB C[C@@H]1CCc2c(sc(NC(=O)COC(=O)c3ccco3)c2C#N)C1 3244041 HMQSSTFPDGHXFZ-SNVBAGLBSA-N 344.392 3.133 30 40 EGEB CCCCn1cc(C(=O)c2cc(Cl)ccc2O)cc(C#N)c1=O 5861965 DCMYNOURQZBYHK-UHFFFAOYSA-N 330.771 3.110 30 40 EGEB N#Cc1ccc(N2CC[C@H](SC[C@H](O)c3ccccc3)C2=O)cc1 69308255 OBKVDALEOMNNSU-ROUUACIJSA-N 338.432 3.130 30 40 EGEB Cc1nc(C(=O)N2CCO[C@H](c3ccccc3Cl)C2)ccc1C#N 69847302 TURZYGUWTRPNOP-KRWDZBQOSA-N 341.798 3.129 30 40 EGEB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cc(C#N)cn1C(C)(C)C 95360960 VCMFRBGNCXYXRX-YVEFUNNKSA-N 339.395 3.282 30 40 EGEB N#Cc1cc(N[C@H](CCO)C2CCOCC2)nc2ccc(Cl)cc12 95943012 QQZLIOZLWVVHHE-MRXNPFEDSA-N 345.830 3.349 30 40 EGEB COc1cccc(C)c1N=C(O)N1CCO[C@H](c2nc(C)cs2)C1 330032178 JGZVOIXGCRYMEV-AWEZNQCLSA-N 347.440 3.388 30 40 EGEB COc1ccc(C=Nn2c(S)nnc2-c2ccccc2)cc1OC 252429333 DQZNQMXVSLTZME-UHFFFAOYSA-N 340.408 3.133 30 40 EGEB Cc1nc(NS(=O)(=O)c2ccc(F)cc2)sc1SCC#N 66253615 ARWXZSFHLDAYKF-UHFFFAOYSA-N 343.430 3.007 30 40 EGEB COC(=O)[C@](C)(NCc1ccc(C#N)cc1)c1cc(F)ccc1F 65530760 ZGSOFMDKVUYEPQ-GOSISDBHSA-N 330.334 3.014 30 40 EGEB CCOC(=O)/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(C)=O 5005426 OWKYPYCDUDGLHY-UVTDQMKNSA-N 329.308 3.390 30 40 EGEB CC1=C/C(=N\OC(=O)c2ccc([N+](=O)[O-])cc2)C(C(C)C)=CC1=O 5950339 NSXFKZCGZKFIEV-OBGWFSINSA-N 328.324 3.219 30 40 EGEB CCn1nc(C)c(/N=C2\SCC(=O)N2CCc2ccccc2)c1C 17071585 WXJXAURSCSBYJY-HNENSFHCSA-N 342.468 3.325 30 40 EGEB Cc1nc(N/N=C/c2cccc([N+](=O)[O-])c2)cc(N2CCCCC2)n1 4474822 XJBSBLKTDJJPKC-LDADJPATSA-N 340.387 3.130 30 40 EGEB Cn1c(=O)n(C)c2cc(/N=C/c3c(O)ccc4ccccc34)ccc21 61773 JTRGNNFQKZEFOJ-CIAFOILYSA-N 331.375 3.486 30 40 EGEB CCOc1ccccc1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2ncnn21 222547 IYSJXYJCMTXCBA-QGZVFWFLSA-N 338.411 3.335 30 40 EGEB CCc1sc(C(=O)[C@H](C#N)C(=O)NCc2ccccc2)cc1C 103503587 JOJSRMURGDFJSN-AWEZNQCLSA-N 326.421 3.258 30 40 EGEB CCSCc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccn2)cc1 104055597 VXWMYSIXRGURHM-HNNXBMFYSA-N 339.420 3.296 30 40 EGEB O[C@H]1C2C[C@H]3C[C@H](C2)CC1(C#CC1(O)C2CC4CC(C2)CC1C4)C3 104203296 TVZBFHNRMALGDJ-UZPLCISHSA-N 326.480 3.364 30 40 EGEB COc1ccccc1CN/N=C/c1cc(OC)c(OC)cc1Cl 20762408 CWBJSSDTURPAPB-RGVLZGJSSA-N 334.803 3.490 30 40 EGEB CCOc1ccccc1[C@H]1[C@H](C#N)C(=O)Nc2nc3ccccc3n21 20637876 DAQGIFKBTRWXRD-GUYCJALGSA-N 332.363 3.116 30 40 EGEB N#Cc1ccc(N2CCO[C@H](c3ccc(Br)cc3)C2)nc1 58141987 ZGDMPEFRLPLCBV-HNNXBMFYSA-N 344.212 3.294 30 40 EGEB C[C@@H](CCc1ccccc1)NC(=O)c1ccc(NC(=O)CC#N)cc1 8727266 FEXXVQRAGHHLBA-HNNXBMFYSA-N 335.407 3.290 30 40 EGEB N#Cc1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1 7052577 TVYXFOQBAJDYRE-UHFFFAOYSA-N 337.198 3.122 30 40 EGEB C#CCn1cc(CN(C)C(=O)c2ccc(-c3ccc(C)o3)s2)cn1 97081410 ZJLRRBCRFGJAQF-UHFFFAOYSA-N 339.420 3.418 30 40 EGEB N#Cc1cc(N[C@@H]2CCN(C(=O)C3CCCCC3)C2)ccc1[N+](=O)[O-] 97145119 ZFEYPEQPVYUKAT-MRXNPFEDSA-N 342.399 3.060 30 40 EGEB C=C[C@@H]1C[N@+]2(C)CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12 503933240 SJTSZVLGFLZBFK-WFMXHKTDSA-N 339.459 3.318 30 40 EGEB O=[N+]([O-])c1cccnc1N/N=C/c1cc(Cl)c(O)c(Cl)c1 409097452 NFZIZSPUFGLXBU-OMCISZLKSA-N 327.127 3.448 30 40 EGEB COc1ccc(/C=N/OCc2ccccc2C#N)c(OC)c1OC 408596782 UTGFRPGMIMWXAT-RGVLZGJSSA-N 326.352 3.135 30 40 EGEB C=CCCO[C@H](C)C(=O)[C@H](C#N)c1nc(O)c2ccc(Cl)cc2n1 67786224 BUXDQFMVHVFSAX-MFKMUULPSA-N 345.786 3.146 30 40 EGEB C[C@H](CC#N)NC(=O)c1ccc(Br)cc1C(F)(F)F 96494139 OKLFXSHHFXYBEY-SSDOTTSWSA-N 335.123 3.500 30 40 EGEB Cc1n(C)c2ccccc2[n+]1CC(=O)c1ccc(Br)cc1 3125023 ATWQDNXFNRBSSL-UHFFFAOYSA-N 344.232 3.420 30 40 EGEB C#CCn1/c(=N/C(=O)c2cccs2)sc2cc(OC)ccc21 100875891 WZBFBJMMDAERQS-MSUUIHNZSA-N 328.418 3.147 30 40 EGEB Cc1nnc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)c(C#N)c1C 52489762 IZAMTZIOFAYGHQ-MRXNPFEDSA-N 328.803 3.196 30 40 EGEB N#C[C@@H](C(=O)c1cccc2cn[nH]c12)c1ccc(C(F)(F)F)cn1 41552965 ONHIBVUCGAZGFQ-GFCCVEGCSA-N 330.269 3.467 30 40 EGEB C[C@H]1CN(C(=O)/C=C/c2cn(CCC#N)c3ccccc23)C[C@H](C)O1 44866183 VEWUTSPDUSQQFH-FHQWLQQXSA-N 337.423 3.204 30 40 EGEB Cc1c(C#N)c(SCC(=O)N2CCCC[C@H]2C)nc2c1CCC2 9154633 FVJDXTXEPYIBBN-GFCCVEGCSA-N 329.469 3.244 30 40 EGEB O=C(/C=C1\NCCc2cc3c(cc21)OCCCO3)c1cccs1 5422450 MGCQVZDZJYBPOR-KAMYIIQDSA-N 327.405 3.279 30 40 EGEB CCc1ccc(C[C@H]2S/C(=N/N=C/c3ccccc3)NC2=O)cc1 6604270 HVPUXTSFDKHTLY-UOBPLZBXSA-N 337.448 3.413 30 40 EGEB CO/N=C(\CSc1cccc(OC)c1)c1sc2ncnn2c1C 5721875 HTWIWDIISAOMNE-QGOAFFKASA-N 348.453 3.251 30 40 EGEB Cc1cccc(NC(=S)N/N=C/c2cc(C#N)n(C)c2C)c1C 7008064 UPLSHAQMDSQXFT-VXLYETTFSA-N 325.441 3.143 30 40 EGEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)Oc1ccc2c(c1)OCO2 7667169 IYJDJWSLEICIBS-UHFFFAOYSA-N 336.303 3.198 30 40 EGEB C#CCOc1cc(F)ccc1NC(=O)c1[nH]c2c(c1C)C(=O)CCC2 75146400 HDLWFNJMHPEZEN-UHFFFAOYSA-N 340.354 3.246 30 40 EGEB Cc1ccc(S(=O)(=O)N/N=C2/CC(C)(C)CC(=O)C2(C)C)cc1 31720609 SDDNDZSHMKXSMT-JXAWBTAJSA-N 336.457 3.045 30 40 EGEB CSc1nn(-c2ccccc2)c(NC(=O)c2ccnc(C)c2)c1C#N 225733191 YCIBETOKILYFHP-UHFFFAOYSA-N 349.419 3.422 30 40 EGEB CC(C)(C)[C@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(F)cc1 53644248 XKJTVDUDSUGVND-MJGOQNOKSA-N 331.435 3.311 30 40 EGEB CC(C)N(C(=O)CCNC(=O)Cc1ccccc1)c1cccc(C#N)c1 69777137 BAMCEBZDSQSZJV-UHFFFAOYSA-N 349.434 3.049 30 40 EGEB CC1=C/C(=N\OC(=O)c2ccccc2Br)C(C)=CC1=O 5191689 FOKMLJDHDQEUHA-GHRIWEEISA-N 334.169 3.437 30 40 EGEB COc1cccc(/C=C/C(=O)c2ccc(OCC(=O)O)c(OC)c2)c1 8322846 NIGRSRSBKPFZHH-SOFGYWHQSA-N 342.347 3.063 30 40 EGEB N#Cc1cccnc1N1CC[C@@H](COc2cccc(C(F)(F)F)n2)C1 1889099105 PTOYMLCJABEHEJ-GFCCVEGCSA-N 348.328 3.272 30 40 EGEB COc1ccc2nc(SCC(=O)Nc3ccc(C#N)cc3)[nH]c2c1 8745157 KODURZQSKRNERU-UHFFFAOYSA-N 338.392 3.174 30 40 EGEB Cc1cc(N(C)NC(=S)Nc2ccccc2)nc(Cl)c1C#N 12446175 UFBKEBDWLDTONJ-UHFFFAOYSA-N 331.832 3.253 30 40 EGEB O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1Cl)n1nnnc1N2 7778514 KVANEPFIBXAYNS-ZDUSSCGKSA-N 336.182 3.002 30 40 EGEB N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)c1 11371042 WGBMPNPUPOGRKI-UHFFFAOYSA-N 348.406 3.441 30 40 EGEB COc1ccc([C@H]2CCc3cc4c(cc3/C2=N/O)OCO4)cc1OC 103041125 JQEHLDMXRJMVNO-ZIPFOMIPSA-N 341.363 3.341 30 40 EGEB C[C@@H]1CCCCN1C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@H]12 4028475 IHANHCGTYJEQAK-UJXCDSABSA-N 347.499 3.388 30 40 EGEB biogenic CC(=O)C1=C(O)C(=O)N(c2ccccc2F)[C@@H]1c1ccc(F)cc1 4606960 UCWZSTNKLJPSCA-MRXNPFEDSA-N 329.302 3.454 30 40 EGEB Cc1nc(C(=O)N2CCC[C@H](n3ccnc3C(C)C)C2)ccc1C#N 69946964 VVSGEEJROUKCHZ-INIZCTEOSA-N 337.427 3.059 30 40 EGEB Cc1ccc(/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)cc1[N+](=O)[O-] 7333685 UGOQFVRDKSDIQJ-GQCTYLIASA-N 338.319 3.130 30 40 EGEB O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1/N=C/c1cccc2ccccc12)[C@@H]1C[C@@H]31 239125210 KCWQNWPQOBZSRR-RPZLJYRGSA-N 342.398 3.227 30 40 EGEB COCCOc1ccc(C(=O)/C=C/c2cncn2C(C)C)cc1OC 585135838 FIGXNLVWJCPXJD-VOTSOKGWSA-N 344.411 3.394 30 40 EGEB C=C(C)CN(CC)C(=O)Nc1cc(F)ccc1N1CCN(C)CC1 69665948 IWUDSLAQBUQHRP-UHFFFAOYSA-N 334.439 3.007 30 40 EGEB O=C1ON=C(c2ccccc2[N+](=O)[O-])/C1=C/c1c[nH]c2ccccc12 12360149 GRJJLIMRBMSJSI-ZROIWOOFSA-N 333.303 3.421 30 40 EGEB Cc1cnccc1OCC1CCN(C(=O)c2cccc(C#N)c2)CC1 1889141329 QOHMWUQVDUDEFL-UHFFFAOYSA-N 335.407 3.193 30 40 EGEB COC(=O)c1ccc2nc(NC(=O)c3ccc(C#N)cc3)sc2c1 6145391 IXDRSSLUFZPDIC-UHFFFAOYSA-N 337.360 3.207 30 40 EGEB CC1(C)C[C@H]2C[C@@](C)(CN2C[C@H](O)COc2ccc(CC#N)cc2)C1 103272687 GPFWIZCRVPDJLU-BBTUJRGHSA-N 342.483 3.393 30 40 EGEB CC(C)(C)c1cnc(CN2CCN(Cc3ccc(C#N)cc3)CC2)o1 45958359 WXIQQJGYTCCHRQ-UHFFFAOYSA-N 338.455 3.162 30 40 EGEB N#Cc1cccc(NC(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)c1 46459235 WWDNFCCXLVLCCE-SFHVURJKSA-N 348.406 3.043 30 40 EGEB CC(C)(C)NC(=O)c1ccc(C(=O)[C@@H](C#N)C(=O)c2ccco2)cc1 103664561 ATRNKUGRGIPPAL-CQSZACIVSA-N 338.363 3.013 30 40 EGEB Cc1cc(C)nc(N/N=C/C2=C(O)C[C@@H](c3ccco3)CC2=O)n1 16956792 YFANJFAASISXFL-KBSHCFNASA-N 326.356 3.043 30 40 EGEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(CC(F)(F)F)c1ccccn1 71853680 JZALBFFNUZGKAX-GFCCVEGCSA-N 349.312 3.316 30 40 EGEB N#Cc1ccccc1-c1ccccc1C(=O)N[C@H]1CCc2nccn2C1 97197437 FQVHMWSWRDMMFO-INIZCTEOSA-N 342.402 3.167 30 40 EGEB C=CCNC(=O)CCc1ncc(-c2ccc(Br)cc2)o1 224874241 UJZOOAKIPVNAND-UHFFFAOYSA-N 335.201 3.339 30 40 EGEB CCOc1ccc(C#N)cc1NC(=O)Nc1c(C)nn(CC)c1C 95403862 QVWGRYUXPWFQFD-UHFFFAOYSA-N 327.388 3.434 30 40 EGEB C=CCN1C(=O)/C(=C/c2ccc(N(C)CCC#N)cc2)SC1=S 7156091 ZSAQOTSWQWBZCA-QINSGFPZSA-N 343.477 3.424 30 40 EGEB CC1=C/C(=N\S(=O)(=O)c2ccccc2)C(C(C)C)=C(Cl)C1=O 16779920 QOPXSKCRJOXUJJ-QGOAFFKASA-N 337.828 3.494 30 40 EGEB Oc1ccc(Br)cc1/C=N/Nc1nc2ccccc2[nH]1 3902926 QVZBZEXZDHJZAW-LZYBPNLTSA-N 331.173 3.477 30 40 EGEB Cc1ccc(NC(=O)[C@H]2CCCN2/C=C/C(=O)C(F)(F)F)c(C)c1 4119707 HOHCGXPTTVVPDD-RCQQVGEISA-N 340.345 3.351 30 40 EGEB COCC[C@H](C)NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 69531530 KGJATSROPPEMHD-JTQLQIEISA-N 345.321 3.046 30 40 EGEB CCCOc1ccc([C@@H]2C3=C(C[C@@H](C)CC3=O)Nc3ncnn32)cc1 10339488 ZIXYNAJDZIKLIF-KZULUSFZSA-N 338.411 3.335 30 40 EGEB N#Cc1c[nH]c(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c1 175494098 UOCAEOVKUMMAKB-UHFFFAOYSA-N 336.376 3.452 30 40 EGEB N#C[C@@H]1CN(Cc2cn(-c3ccccc3)nc2-c2ccccc2)CCO1 106309440 TTXYBGIKERMOLF-HXUWFJFHSA-N 344.418 3.264 30 40 EGEB CC(C)(C)C(=O)Nc1cccc(NCC(=O)NC2(C#N)CCCC2)c1 43566478 DYLQBJVPZZLROP-UHFFFAOYSA-N 342.443 3.036 30 40 EGEB N#Cc1ccccc1COC(=O)C[C@@H]1Sc2ccccc2NC1=O 5228804 HTYDSMXQYMNWES-INIZCTEOSA-N 338.388 3.105 30 40 EGEB N#C/C(=N/Nc1ccccc1[N+](=O)[O-])C(=O)c1ccc(Cl)cc1 15219709 FQUQHLLOPSTMLR-UYRXBGFRSA-N 328.715 3.423 30 40 EGEB COc1cc(C(=O)/C=C/c2ccc3c(c2)OCO3)cc(OC)c1OC 8867320 JGVTZQYRMQWZQO-GQCTYLIASA-N 342.347 3.337 30 40 EGEB CCc1nnc(Sc2nc(-c3cccs3)n[nH]2)c(C#N)c1CC 95411902 UQPRSWJPVDQXBQ-UHFFFAOYSA-N 342.453 3.471 30 40 EGEB N#CCOc1ccccc1/C=N/n1c(S)nnc1-c1ccccc1 409061506 DRYALZPSOOPNRT-XDHOZWIPSA-N 335.392 3.018 30 40 EGEB C#CCOc1c(CC=C)cc(/C=C2\C(=O)ON=C2C)cc1OCC 409090207 LDDACWFGNSAVAW-WJDWOHSUSA-N 325.364 3.142 30 40 EGEB Cc1cccc2c(N[C@H]3CCC[C@@H](S(C)(=O)=O)C3)c(C#N)cnc12 78301293 PGMPLVFZWFDNBS-LSDHHAIUSA-N 343.452 3.183 30 40 EGEB Cc1ccc(C)c(S(=O)(=O)N/N=C2/CCCc3ccccc32)c1 33044025 GDUJROCFFIBJAY-ZPHPHTNESA-N 328.437 3.322 30 40 EGEB Cc1ccccc1C/C(O)=N/S(=O)(=O)c1ccc(C#N)c(Cl)c1 78612390 JOIDINPVDJZIMV-UHFFFAOYSA-N 348.811 3.408 30 40 EGEB C=CCN1CC[C@H](Sc2nc(Cc3ccccc3)c(C)[nH]2)C1=O 225568426 ALKWWNWWRVRJCU-INIZCTEOSA-N 327.453 3.188 30 40 EGEB N#C[C@@H](NC(=O)CCSc1ccccn1)c1ccc(F)cc1F 96461578 MYVUPKQAEUYTSP-CQSZACIVSA-N 333.363 3.223 30 40 EGEB CC[C@@H](N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1cnn(C)c1 97016869 PRNBPWOIAQJXHT-FUHWJXTLSA-N 341.434 3.141 30 40 EGEB Cc1cc(C)c(C#N)c(NCC2(N3CCCCC3)CCOCC2)n1 89599252 KWPGXQUJQVYFRL-UHFFFAOYSA-N 328.460 3.017 30 40 EGEB CCCCCCCC[C@H]1Cc2cc(O)c(C(=O)O)c(O)c2[C@@H](O)O1 102997335 SKYDJPNCOZADBB-SGTLLEGYSA-N 338.400 3.479 30 40 EGEB biogenic,in-vitro C#C[C@@](C)(CC)NC(=O)c1cc2cc(Br)ccc2oc1=O 99822 CGOOIZIIJMLJDB-INIZCTEOSA-N 348.196 3.087 30 40 EGEB CCc1csc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)n1 69630630 BTMPIIRGRKWTCM-UHFFFAOYSA-N 327.818 3.031 30 40 EGEB CCc1nnc(SCC(=O)Nc2cc(Cl)ccc2C#N)n1CC 20034296 CJSMPTUGQYDFFA-UHFFFAOYSA-N 349.847 3.116 30 40 EGEB C=CCN(CCc1ccccc1)C(=O)Nc1ccc(C(=O)NC)cc1 62378460 ATEWBFWYDGMJRR-UHFFFAOYSA-N 337.423 3.309 30 40 EGEB COC(=O)c1cc(C#N)c(NC(=O)[C@@H](C)Oc2cccc(C)c2)s1 69744712 FDODLMFIFRKUQX-LLVKDONJSA-N 344.392 3.121 30 40 EGEB CN1CCN(C(=O)Nc2ccc(F)cc2C#N)[C@H](c2ccccc2)C1 12927622 GCFOQGMMPHDJEB-SFHVURJKSA-N 338.386 3.218 30 40 EGEB CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)Nc1cccc(C#N)c1 5293707 WNLIHGBZXWYEFI-KRWDZBQOSA-N 339.370 3.090 30 40 EGEB CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)Nc2ccc(C#N)cc2)C1 65605134 NDTLIFLMEFIATH-GOEBONIOSA-N 342.443 3.107 30 40 EGEB Cc1ccccc1/C(N)=N/OC(=O)COc1cccc2ccccc12 4685148 FQWBGPOYEIQXMT-UHFFFAOYSA-N 334.375 3.391 30 40 EGEB N=C(N/N=C/c1cccc(Cl)c1)N/N=C/c1cccc(Cl)c1 67350964 SAVZRZOWEOKYQF-LQGKIZFRSA-N 334.210 3.475 30 40 EGEB CC(C)N(CCC#N)C(=O)c1cnc(-c2ccc3c(c2)OCO3)s1 71796431 ICQPDHMOKXZRMC-UHFFFAOYSA-N 343.408 3.303 30 40 EGEB CC(C)CN1C(=O)/C(=C/c2ccccc2OCC#N)SC1=S 409030680 DYVKUYRPLKLOOM-ZROIWOOFSA-N 332.450 3.446 30 40 EGEB N#CC1(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1 225992713 DQUGOCYDJJEDGP-UHFFFAOYSA-N 345.446 3.224 30 40 EGEB CC(C)[C@@H](SCc1ccccc1)C(=O)Nc1nc(C#N)c(C#N)[nH]1 585125700 BZYDDZOHHOGSBC-OAHLLOKOSA-N 339.424 3.050 30 40 EGEB COc1c(Br)cc(C)cc1B1OC(C)(C)C(C)(C)O1 675082412 ZZZZZSAQBYBFTL-UHFFFAOYSA-N 327.027 3.065 30 40 EGEB N#Cc1cccnc1N1CCCN(C(=O)CCCc2ccccc2)CC1 55740639 FKUUTLMJRYQZDQ-UHFFFAOYSA-N 348.450 3.015 30 40 EGEB CC1=C2[C@@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@]2(C)C=C(Br)C1=O 5080585 QRONGANYXMWLQI-LFRAMAKYSA-N 325.202 3.142 30 40 EGEB COc1cc(Cl)cc(/C=N/CCNc2ccc([N+](=O)[O-])cc2)c1O 6247756 QCURPEMOGHUYDN-VCHYOVAHSA-N 349.774 3.493 30 40 EGEB CCCCOc1ccc(/C=C/c2n[nH]c(=O)c(C#N)c2C)cc1OC 7324891 UKSHCAYBUBEHTE-SOFGYWHQSA-N 339.395 3.308 30 40 EGEB COc1cccc(CC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)c1 103504450 IIBRDUVJLJIDEO-CQSZACIVSA-N 342.782 3.239 30 40 EGEB N#C[C@H](C(=O)C[C@@H](c1ccccc1)C(F)(F)F)C(=O)N1CCCC1 102766129 PYPUQLLKWOYTKB-KGLIPLIRSA-N 338.329 3.054 30 40 EGEB C#CCNC(=O)[C@@H](C)Nc1ccc(Oc2ccccc2OC)c(F)c1 58182934 XWWNKDHQNZNOOL-CYBMUJFWSA-N 342.370 3.176 30 40 EGEB N#Cc1cccnc1NC[C@@H]1CCN(Cc2nc3ccccc3o2)C1 65512078 KKCMHPBTOCOHHC-AWEZNQCLSA-N 333.395 3.028 30 40 EGEB COc1cc(/C=C/C(=O)c2ccc(OCC(=O)O)cc2)cc(OC)c1 6654395 GKDHGHJSMQGLTN-FPYGCLRLSA-N 342.347 3.063 30 40 EGEB COc1ccccc1-n1c(S[C@@H](C)C#N)nnc1N1CCCCC1 6994189 PDUILSDBVSKOCE-ZDUSSCGKSA-N 343.456 3.270 30 40 EGEB COc1cc(C)c(N[C@H](C)C(=O)Nc2ccccc2C#N)cc1OC 7057788 OUTPATAYVWTBFK-CYBMUJFWSA-N 339.395 3.323 30 40 EGEB COC(=O)[C@@H](N[C@H](C)c1c(F)cccc1OC)c1cccc(C#N)c1 83032072 ZKMDLCGBCGKOFH-XIKOKIGWSA-N 342.370 3.271 30 40 EGEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCCC2=O)cc1 7641669 LRUBMEQPVQNSPK-CQSZACIVSA-N 349.390 3.091 30 40 EGEB O=C1/C(=C/c2cc(Cl)c3c(c2)OCCO3)Oc2cc(O)ccc21 96930468 VSKYJZMZLVQLMN-NSIKDUERSA-N 330.723 3.433 30 40 EGEB Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1cc(C#N)cn1C(C)(C)C 72271670 ZRWCQJRLZRFKSN-NSHDSACASA-N 327.432 3.207 30 40 EGEB Cc1ccn(Cc2ncc(-c3ccc(Cl)cc3)o2)c(=O)c1C#N 97114951 ANJVTEIUNGFRKI-UHFFFAOYSA-N 325.755 3.385 30 40 EGEB C=CCNc1cnn(CCOc2ccc(Cl)cc2)c(=O)c1Cl 32837484 MIPOAVUQBFYMJS-UHFFFAOYSA-N 340.210 3.227 30 40 EGEB N#CC1(C#N)[C@H]2CCCC[C@]23OC(=N)[C@@]1(C#N)[C@@H](c1ccccc1)O3 4572926 YDHPTFXGAJFNQY-RGCFKVTRSA-N 332.363 3.195 30 40 EGEB C=CCN1CCC(Nc2nc(CCC)nc3c(C)nn(CC)c23)CC1 226743779 IMIDRDUZKBPLQY-UHFFFAOYSA-N 342.491 3.169 30 40 EGEB O/C(Cn1ccc2ccc(F)cc21)=N\c1nc([C@@H]2CCCO2)n[nH]1 95480903 DPRDTHJSGGRBLI-ZDUSSCGKSA-N 329.335 3.038 30 40 EGEB C=CCCC(=O)N1CCCC[C@@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 585113645 DFDAXEAXVWIOQJ-ZIAGYGMSSA-N 346.393 3.135 30 40 EGEB CC[C@](C)(C#N)C(=O)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 590914733 XRNLBTVSEYPHQT-TZMCWYRMSA-N 332.366 3.134 30 40 EGEB N#Cc1cccnc1N1CCC(COc2ccncc2Cl)CC1 1889096852 VBIJNBMHQCHUAK-UHFFFAOYSA-N 328.803 3.297 30 40 EGEB N#Cc1ccnc(O[C@H]2CCCN(C(=O)Nc3ccc(F)cc3)C2)c1 575613476 RCNTWNWOQCWLSP-INIZCTEOSA-N 340.358 3.168 30 40 EGEB C[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H](C(F)(F)F)C1 29784969 PZGXMAQPUILAKC-WCQYABFASA-N 326.318 3.126 30 40 EGEB CN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 102800238 OTGCTXBZFBAIFO-IDTYTIONSA-N 327.767 3.392 30 40 EGEB CC/N=C(\NCc1ccco1)NC[C@@H]1CCO[C@@H]1c1ccccc1 104202018 VULPIPWCHYAHGN-FUHWJXTLSA-N 327.428 3.113 30 40 EGEB Cc1cccc(C)c1NC(=S)N/N=C/c1ccccc1C(=O)O 3328511 LBHLPIILGWKPLK-VCHYOVAHSA-N 327.409 3.322 30 40 EGEB CC[C@H](C)Oc1ccc(C=Nn2c(O)nc3ccccc3c2=O)cc1 409363512 WVXARWAVFGPLCD-ZDUSSCGKSA-N 337.379 3.162 30 40 EGEB N#Cc1ccc(COC(=O)c2cc(Br)ccc2O)cc1 5743391 SNPTXARKJXMTOV-UHFFFAOYSA-N 332.153 3.383 30 40 EGEB COc1ccc(/N=C\c2ccc(N3CCOCC3)cc2OC)cc1 409221680 URNQOKOZYIFBQU-ZHZULCJRSA-N 326.396 3.291 30 40 EGEB N#Cc1ccc(NC(=O)c2cccc3c2OCO3)c(Br)c1 72280987 UEOBLWDESNHHEM-UHFFFAOYSA-N 345.152 3.302 30 40 EGEB Cc1ccc(N(CCC#N)S(=O)(=O)c2cnn(C(C)C)c2)cc1C 96423543 MNPQLOFHNLZYEV-UHFFFAOYSA-N 346.456 3.190 30 40 EGEB C=C(C)CN1CCC(N=c2c(C(=O)O)c[nH]c3ccc(C)cc23)CC1 582124826 VHRJTHBEAKDRPF-UHFFFAOYSA-N 339.439 3.116 30 40 EGEB N#Cc1cncnc1N1CCC2(CCN(Cc3ccccc3)CC2)CC1 585137492 BGZAIJLCTHHLQZ-UHFFFAOYSA-N 347.466 3.231 30 40 EGEB COc1cccc(CCC(=O)Nc2ccc(OCC#N)cc2)c1OC 19600214 OKCCXCFHBPFAMZ-UHFFFAOYSA-N 340.379 3.177 30 40 EGEB Cc1cccc([C@@H](CNCc2cccc(C#N)c2)N2CCOCC2)c1 30915605 FGIOYTKADGINMG-OAQYLSRUSA-N 335.451 3.030 30 40 EGEB C=CCSc1nnc(NC(=O)COc2ccccc2Cl)s1 7594536 DKIQEYWMJXNULX-UHFFFAOYSA-N 341.845 3.487 30 40 EGEB C=CCN(Cc1nc(O)c2ccc(C(=O)OC)cc2n1)C1CCCC1 53316635 RLOCFRCARLVSBU-UHFFFAOYSA-N 341.411 3.053 30 40 EGEB CCCCN1C(=O)/C(=N\Nc2ccc(Cl)nn2)c2ccccc21 20930100 NLAIRARSXSWLQR-QNGOZBTKSA-N 329.791 3.093 30 40 EGEB C=CCN(Cc1ccccc1)C(=O)Nc1ccc(C)c(-n2cnnn2)c1 44245990 AELGLVCKVOTTTD-UHFFFAOYSA-N 348.410 3.191 30 40 EGEB C=CCNC(=O)c1ccccc1NC(=O)c1ccc(Br)o1 8554505 FWDGVRANBQVOTL-UHFFFAOYSA-N 349.184 3.210 30 40 EGEB N#CCc1cccc(/C(O)=N/S(=O)(=O)Cc2ccccc2Cl)c1 83791709 TUBHEERYNVQLOC-UHFFFAOYSA-N 348.811 3.241 30 40 EGEB C=CCCO[C@@H](C)C(=O)O[C@@H](CSc1ncn[nH]1)c1ccccc1 89914140 BGUSDHHVSIFMGK-ZFWWWQNUSA-N 347.440 3.163 30 40 EGEB COc1ccc2[nH]cc(CCNC(=O)NCc3cccc(C#N)c3)c2c1 75611591 RRWMIQQCGBCZMD-UHFFFAOYSA-N 348.406 3.090 30 40 EGEB COc1ccc(/N=C\c2cccc(OC)c2O[C@@H](C)C(=O)O)cc1 409221648 UGUDVMSOWPELQL-XHEYCZLTSA-N 329.352 3.306 30 40 EGEB COC(=O)[C@H](N[C@H](C)c1cc(C)ccc1OC)c1ccc(C#N)cc1 95960804 XECXVSIQNVDQFG-AUUYWEPGSA-N 338.407 3.440 30 40 EGEB CCOc1ccccc1[C@@H]1[C@H](C#N)C(=O)Nc2nc3ccccc3n21 20637873 DAQGIFKBTRWXRD-SUMWQHHRSA-N 332.363 3.116 30 40 EGEB C=CCN1C(=O)N/C(=C/c2cc(C)n(-c3cccc(F)c3)c2C)C1=O 409134665 STFTWOKLPKWBHI-LICLKQGHSA-N 339.370 3.312 30 40 EGEB C[C@H](Oc1ccccc1Br)C(=O)[C@@H](C#N)c1ccccn1 79029120 OYAAOFWNPGIAHJ-RYUDHWBXSA-N 345.196 3.488 30 40 EGEB C[C@@H](Oc1ccccc1Br)C(=O)NCCCCC#N 78996432 SRRDPWKQTRJOKO-LLVKDONJSA-N 325.206 3.026 30 40 EGEB CCCCCCCCOC(=O)Nc1ccc(S(=O)(=O)O)c(N)c1 255187844 HCRLBCMNLJAZPW-UHFFFAOYSA-N 344.433 3.425 30 40 EGEB N#Cc1cccc([C@@H]2[C@H](C(=O)O)CCC(=O)N2CCc2ccccc2)c1 69370715 QVLPFSBTEZUXGZ-UYAOXDASSA-N 348.402 3.165 30 40 EGEB Cc1nc(-c2cccc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3)c2)no1 101372505 DEFQPZNRYWLZME-INIZCTEOSA-N 346.346 3.006 30 40 EGEB COc1cccc(NC(=O)C[n+]2cc(-c3ccccc3)n3c2CCC3)c1 17198218 WKQJQCFKDDREHY-UHFFFAOYSA-O 348.426 3.036 30 40 EGEB N#Cc1c(N/C(=C\C(=O)c2ccccc2)C(=O)O)sc2c1CCC2 3618992 JLRPVPGGZVADJX-ZROIWOOFSA-N 338.388 3.372 30 40 EGEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(C)[C@@H]2c2ccc(F)cc2)cc1 100259441 VFGUOAHFLBNCIA-IBOXJLQUSA-N 325.339 3.186 30 40 EGEB COc1ccc(Cl)cc1/C(N)=N/OC(=O)C[C@H]1C[C@H]2CC[C@@H]1C2 6846747 GRGFNMNUSPLRPH-QJPTWQEYSA-N 336.819 3.338 30 40 EGEB COc1ccc(C(=O)/C=C2\C(=O)Nc3ccc(F)cc32)cc1OC 32646548 CXLWUEIJLNYTPG-LCYFTJDESA-N 327.311 3.061 30 40 EGEB CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(F)cc1 103504653 LXAALJMFOKJKPX-AWEZNQCLSA-N 326.327 3.186 30 40 EGEB CCCCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCCC1 2195672 FROQFDHYSKHDRN-CQSZACIVSA-N 338.411 3.180 30 40 EGEB CC(C)[C@H](NCc1cccc(C#N)c1)c1nc(-c2ccncc2)no1 69169696 ZDERZGIPYZUQMB-KRWDZBQOSA-N 333.395 3.490 30 40 EGEB COCCCOc1cccc(/C=C2\CCc3c(cnn3C)C2=O)c1 58419422 ZXCZUZRAYQSNQT-RVDMUPIBSA-N 326.396 3.048 30 40 EGEB C[C@H](Oc1cccc(C#N)c1)C(=O)Nc1ccc(Cn2ccnc2)cc1 69653460 FWEHXEKDZMGWQP-HNNXBMFYSA-N 346.390 3.209 30 40 EGEB CCOc1cc(C#N)ccc1OCC(=O)Nc1cc(F)ccc1F 6540450 ALFMWAOXNDWASL-UHFFFAOYSA-N 332.306 3.253 30 40 EGEB CCCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)CCC3)cc1OC 4912981 YWDGVCNFZJNHQE-ZDUSSCGKSA-N 329.396 3.095 30 40 EGEB CCc1ccc(C[C@H]2S/C(=N/N=C/c3ccco3)NC2=O)cc1 5961709 QLSRNIDZECFFQB-CLXYIWAZSA-N 327.409 3.006 30 40 EGEB N#Cc1ccc(N2C[C@@H](CCN3CCCC3=O)c3ccccc32)nc1 79047918 JIWCWVUTHURSLF-MRXNPFEDSA-N 332.407 3.201 30 40 EGEB CCCOC/C(O)=N/S(=O)(=O)c1ccc(-c2ccccc2)cc1 78989169 OYNXYNJZQLUFPL-UHFFFAOYSA-N 333.409 3.425 30 40 EGEB C=CCN1C(=O)C[C@H](c2ccncc2)C12CCN(c1ccccn1)CC2 96199999 TVLGHZOXTUODSV-GOSISDBHSA-N 348.450 3.018 30 40 EGEB C#CCN1CCC(C(=O)N(C)[C@H](CC)Cc2ccc(C)cc2)CC1 78228148 CVRZYCYQPUFEFH-HXUWFJFHSA-N 326.484 3.120 30 40 EGEB N#CC1(C#N)[C@H](c2cccs2)O[C@@]23CCCC[C@H]2[C@]1(C#N)C(=N)O3 5055102 PADCIVFBXXREEE-WRFANHODSA-N 338.392 3.257 30 40 EGEB COc1ccc([C@H]2CCc3cc4c(cc3/C2=N\O)OCO4)cc1OC 16999829 JQEHLDMXRJMVNO-YSGBTYPNSA-N 341.363 3.341 30 40 EGEB C=CCNC(=O)c1ccccc1NC(=O)/C=C/c1ccc(OC)cc1 7246550 VBCPDDICIIKLIM-JLHYYAGUSA-N 336.391 3.263 30 40 EGEB COC(=O)Cn1/c(=N/N=C/c2ccc(C)cc2)sc2ccccc21 1609872 OOFDZNIJQXUNBK-IVUIJMHVSA-N 339.420 3.119 30 40 EGEB COCCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(C(C)(C)C)cc1 4540485 UYCCXOVPLRVEOR-QGZVFWFLSA-N 345.439 3.305 30 40 EGEB CC(C)OC(=O)C[N+](C)(C)CCO[C@H]1C[C@@H]2CC[C@]1(C)C2(C)C 102349985 IOGAHPAXONVGAW-BXWFABGCSA-N 326.501 3.246 30 40 EGEB N#Cc1ccc(C(=O)N(Cc2cccs2)C[C@H]2CCCO2)cc1 14018185 NZSIYCGHTAWDEN-MRXNPFEDSA-N 326.421 3.441 30 40 EGEB CC[C@@H](C)[C@@H](C)N(C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)C1CC1 65593223 WVWYVFKCJFQLNW-IUODEOHRSA-N 343.471 3.222 30 40 EGEB CCCn1c(-c2ccncc2)nn(CN(CCC#N)C2CC2)c1=S 70039340 KGRPKXXTMKZIFO-UHFFFAOYSA-N 342.472 3.222 30 40 EGEB N#CC1CCN(C(=O)N[C@@H](CC2CCOCC2)c2ccccc2)CC1 96004720 XEHUQFDIXUSRNO-IBGZPJMESA-N 341.455 3.490 30 40 EGEB C=CC[C@H](NC(=O)c1cc(OC)c(OC)c(OC)c1)c1ccncc1 72285365 CWMKKBSMNNSYGT-HNNXBMFYSA-N 342.395 3.155 30 40 EGEB CN(Cc1ccc(SC(F)F)cc1)S(=O)(=O)CC1(C#N)CC1 97144321 HLJBLZJMMPUYJA-UHFFFAOYSA-N 346.424 3.067 30 40 EGEB Cc1c(CN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc(C#N)n1C 79924124 DEFLSRIVXHKGMF-HXUWFJFHSA-N 337.423 3.217 30 40 EGEB CN(Cc1cc(C#N)ccc1F)C(=O)CNc1c(F)cccc1F 86191663 MHLQCBNUOGJGAP-UHFFFAOYSA-N 333.313 3.046 30 40 EGEB Cc1nc2ccccc2nc1S[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C 29282542 CAZRFGAMOJBONU-ACJLOTCBSA-N 342.468 3.473 30 40 EGEB N#Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)c3ccccc3)CC1)O2 225823609 RSKRYROLXZZTNX-UHFFFAOYSA-N 346.386 3.198 30 40 EGEB CC(=O)C1=CC[C@@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@]12C 97978681 BEFKCCRWGFBCTD-VPDPSNNJSA-N 342.410 3.499 30 40 EGEB in-vitro C=C(C)COC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1 16207721 FQOLKACTAQLZTQ-UHFFFAOYSA-N 325.364 3.328 30 40 EGEB N#C[C@@H]1CCC[C@@H]1NC(=O)Cc1c[nH]c2ccc(Br)cc12 585122037 LHTXEDRKLRJKMT-HZMBPMFUSA-N 346.228 3.281 30 40 EGEB C#CCn1/c(=N/C(=O)c2cccc(C)c2)sc2cccc(OC)c21 100909833 MFBONNBNAKLECR-VXPUYCOJSA-N 336.416 3.394 30 40 EGEB C=C(C)Cn1c(SC)nc2ccc(Br)cc2c1=O 537691 DBAOIABEHYHRLC-UHFFFAOYSA-N 325.231 3.457 30 40 EGEB Cc1c(Cl)cccc1NC(=O)COC(=O)c1ccc(C#N)cc1F 8278347 YVJGWKMWIZGXHA-UHFFFAOYSA-N 346.745 3.455 30 40 EGEB Cc1ccc(C(=O)N2CCN(Cc3cc(C#N)ccc3F)CC2)s1 55929607 ZJTXGTWTIAWYFV-UHFFFAOYSA-N 343.427 3.025 30 40 EGEB COc1ccc(NC(C)=O)c(/N=C/c2cc([N+](=O)[O-])ccc2O)c1 3136158 UUTVRIPCNUBBIH-RQZCQDPDSA-N 329.312 3.018 30 40 EGEB Cc1nc(S[C@H](C)C(=O)NC2(C#N)CCCCC2)nc(C)c1C 10224542 PDJPWNYJAMWXRZ-CQSZACIVSA-N 332.473 3.225 30 40 EGEB C=CCNC(=O)c1ccccc1NC(=O)c1ccc(-n2ccnc2)cc1 58229249 JEVYKIIKPANGHF-UHFFFAOYSA-N 346.390 3.040 30 40 EGEB O=S(=O)(NN=C1c2ccccc2-c2ccccc21)c1ccccc1 3252955 YHCUUNXMORSJGN-UHFFFAOYSA-N 334.400 3.398 30 40 EGEB O=C(O)[C@H](Cc1c[nH]c2ccccc12)/N=C(\O)c1ccccc1F 82095047 NKWCTBQGEYIWFO-INIZCTEOSA-N 326.327 3.308 30 40 EGEB CC(C)Sc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)OC2 18276105 UAAFHBDDENWPDS-UHFFFAOYSA-N 347.484 3.142 30 40 EGEB C=CCSc1nnc(NC(=O)Cc2noc3ccccc23)s1 19201184 BIQWIRAVIFAHJN-UHFFFAOYSA-N 332.410 3.139 30 40 EGEB N#CCCn1ncc2c(N3CCC[C@H]3c3cccc(F)c3)ncnc21 97200008 GWKPGCWNWPDWMF-INIZCTEOSA-N 336.374 3.221 30 40 EGEB CCCCCCC[C@@H](O)/C=C\[C@H](O)CC[C@H](O)CCCC(=O)O 38139746 FITAKYVPWCVTII-UKHAXTBBSA-N 330.465 3.021 30 40 EGEB biogenic,in-vitro N#Cc1ccc(-c2nc([C@@H]3CC(=O)N(c4cccc(F)c4)C3)no2)cc1 44213948 QJPIXDXTGCTYDK-CQSZACIVSA-N 348.337 3.268 30 40 EGEB C=CCN(c1cccc(C)c1)S(=O)(=O)c1ccc2c(c1)OCCO2 224819096 VGXKFCWHWSGLOH-UHFFFAOYSA-N 345.420 3.148 30 40 EGEB C[C@@H](Cc1ccsc1)N(C)S(=O)(=O)c1cccc(F)c1C#N 96483574 RBDAWUDPQQHURQ-NSHDSACASA-N 338.429 3.011 30 40 EGEB Cc1nccc(CNC(=O)c2ccccc2Oc2ccccc2C#N)n1 97232564 GHBVAKPHWOKCQF-UHFFFAOYSA-N 344.374 3.379 30 40 EGEB C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@H](c2ccc(OC)cc2)C1 281912379 YFQDIOSPNKRXGK-AOIWGVFYSA-N 344.455 3.175 30 40 EGEB C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 12905276 VHSJKFJOMJSRAA-JTQLQIEISA-N 346.289 3.286 30 40 EGEB CCCCCC#C[C@@](O)(C(=O)OC1CCN(C)CC1)c1ccccc1 2009180 HVEHNJGVGBWQOO-NRFANRHFSA-N 343.467 3.095 30 40 EGEB COc1ccccc1CC(=O)N[C@H](C#N)c1c(F)cccc1Cl 69697274 DOSUXYXITQXBQO-CQSZACIVSA-N 332.762 3.411 30 40 EGEB N#CC1(NC(=O)CNc2ccc(OC(F)(F)F)cc2)CCCCC1 23901283 KEESXSPAVRNXGM-UHFFFAOYSA-N 341.333 3.340 30 40 EGEB CN(CC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccccc1 7785865 JPJFDGYGWLYHRE-UHFFFAOYSA-N 325.437 3.179 30 40 EGEB N#Cc1cccc(CN2C(=O)N[C@]3(CCCCc4ccccc43)C2=O)c1 12947808 YPCXDJSCFNNBJC-NRFANRHFSA-N 345.402 3.232 30 40 EGEB CC/N=C1/S/C(=C/C(=O)Nc2ccc(Cl)cc2)C(=O)N1CC 4704091 HGAOVHNKNIYFEA-VAOWDNLSSA-N 337.832 3.134 30 40 EGEB C=C(C)CNC1=NN=C(c2cc(C)n(C[C@H]3CCCO3)c2C)CS1 6862726 OHQDBRXRPZNKPI-OAHLLOKOSA-N 346.500 3.257 30 40 EGEB C=CCOc1ccc(/C=C2/NC(=S)N(CCCC)C2=O)cc1OC 5825119 QWNWCRXQNLAASF-SDNWHVSQSA-N 346.452 3.118 30 40 EGEB C[C@@]1(c2ccccc2)CN(C(=O)NCc2cccc(C#N)c2)CCO1 89919539 DRZZOANSINBWCL-FQEVSTJZSA-N 335.407 3.015 30 40 EGEB N#Cc1ccc(Oc2cccc(NC(=O)NCCn3cccc3)c2)nc1 95409461 IJORPAGCVLASCV-UHFFFAOYSA-N 347.378 3.369 30 40 EGEB C=CC[C@@H](CO)CNC(=O)c1cc2c(s1)-c1ccccc1CC2 95986117 ZGAUOUNWXWONBU-CYBMUJFWSA-N 327.449 3.428 30 40 EGEB O=[N+]([O-])c1cccnc1N/N=C/c1ccc(N2CCCC2)c(F)c1 409067494 QZUOUXCBZFMOPX-YBFXNURJSA-N 329.335 3.175 30 40 EGEB COc1ccccc1/N=C\c1ccc(OCC(=O)NC(C)C)cc1 408806435 DWWZNMJXJPRXIW-NDENLUEZSA-N 326.396 3.349 30 40 EGEB N#Cc1ccnc(N2CCC(COc3cc(C4CCC4)ncn3)CC2)c1 1565522706 XFXDBALFHOQWQE-UHFFFAOYSA-N 349.438 3.306 30 40 EGEB N#C[C@H](C(=O)/C=C/c1cc(Cl)c2c(c1)OCCO2)c1ccccn1 49456596 INICJPTZVWOPMN-IHVVCDCBSA-N 340.766 3.396 30 40 EGEB O=C(O)c1csc(N/N=C/c2ccc(Br)cc2)n1 3921219 LODFMBWTHJXJNB-WLRTZDKTSA-N 326.175 3.050 30 40 EGEB C=CCn1c(SCc2ccc(F)cc2)nnc1-c1cnccn1 526175 PNRXIMNEJIATJJ-UHFFFAOYSA-N 327.388 3.353 30 40 EGEB N#C[C@H](C(=O)c1ccc2c(c1)NC(=O)CS2)c1nc2ccccc2o1 41548145 VFIXPLGTAAYVNG-LLVKDONJSA-N 349.371 3.362 30 40 EGEB N#Cc1nc(-c2ccco2)oc1N1CCN(Cc2ccccc2)CC1 57334278 HAMNLVCHMBVYCU-UHFFFAOYSA-N 334.379 3.128 30 40 EGEB N#Cc1ccc(NC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)cc1 12939503 HYCLGCZFZLCEJY-HNNXBMFYSA-N 339.420 3.253 30 40 EGEB NC(=S)N/N=C/c1ccc(-c2ccc(SC(F)F)cc2)o1 13635489 NQVIVKASMXXLDN-REZTVBANSA-N 327.381 3.428 30 40 EGEB CC(C)(C(=O)Nc1ccc(CC#N)cc1)n1cc(Br)cn1 69489063 DIOUUVKSBPVFEV-UHFFFAOYSA-N 347.216 3.085 30 40 EGEB CC1(C)CC(=O)C=C(N2CCN(C3=CC(=O)CC(C)(C)C3)CC2)C1 4410752 UBEOVSSSYNJKOA-UHFFFAOYSA-N 330.472 3.150 30 40 EGEB COc1cc(/C=N/Nc2ccccn2)cc(Br)c1OC 5637065 OMZWLKZWEVYSOF-RQZCQDPDSA-N 336.189 3.307 30 40 EGEB N#Cc1ccsc1NC(=O)CCc1nc(-c2ccsc2)no1 9455579 SPOQSPGSKZWDKW-UHFFFAOYSA-N 330.394 3.303 30 40 EGEB O=S(=O)(/N=C(\O)Cc1cc(-c2ccccc2)on1)c1ccccc1 97055572 NMWYQNHCXWNQCZ-UHFFFAOYSA-N 342.376 3.230 30 40 EGEB COC(=O)c1ccc(Cl)c(/N=C/c2ccc(O)c([N+](=O)[O-])c2)c1 408904448 JPAHCDUFDRCAPM-CAOOACKPSA-N 334.715 3.491 30 40 EGEB CC(C)c1ccc(CNC(=O)CSc2ncccc2C#N)cc1 71326963 OBOSLIXGJAVKDK-UHFFFAOYSA-N 325.437 3.485 30 40 EGEB Cc1c(CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc(C#N)n1C 96489521 GSRYPSJGOQQJAQ-MRXNPFEDSA-N 336.439 3.056 30 40 EGEB N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCOCC2)c1 96408368 HCXVFJBORIPVQN-UHFFFAOYSA-N 342.782 3.476 30 40 EGEB O=S(=O)(/N=C(\O)Cc1ccc(-n2cccc2)cc1)c1ccccc1 48406599 CBNPRMUEBDVPAW-UHFFFAOYSA-N 340.404 3.365 30 40 EGEB C#CCn1/c(=N/C(=O)c2ccc(C#N)cc2)sc2cccc(F)c21 100877836 JUNLQCGVORCGDC-UZYVYHOESA-N 335.363 3.088 30 40 EGEB CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(CC)s1 108087 CBQDUZVNQZKOOB-HNNXBMFYSA-N 347.436 3.165 30 40 EGEB C=CCN(c1ccc(C(=O)Nc2ccccc2C)cc1)S(C)(=O)=O 581842 VKCDXRDOHGVKJX-UHFFFAOYSA-N 344.436 3.199 30 40 EGEB CCOC(=O)c1sc(NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)c(C#N)c1C 4155386 IXHJDQFQQLWVEX-TUAOUCFPSA-N 332.425 3.480 30 40 EGEB COc1cccc([C@H]2NC(=O)N(C)C3=C2C(=O)CC(C)(C)C3)c1OC 28628076 UPTWIMWBEVTUCL-MRXNPFEDSA-N 344.411 3.043 30 40 EGEB C=CCCO[C@@H](C)C(=O)Nc1nc(C(C)C)c(C(=O)OCC)s1 89984815 HUGLSSGMOVIDOU-NSHDSACASA-N 340.445 3.363 30 40 EGEB C[C@@H](CNC(=O)c1cccc(C#N)c1)c1nc(-c2ccccc2)no1 89953127 NRBZHQZMGKOFIM-ZDUSSCGKSA-N 332.363 3.142 30 40 EGEB N#Cc1ncn(Cc2cn(-c3ccccc3)nc2-c2ccccc2)n1 12923811 JHVFVJXXFCADFA-UHFFFAOYSA-N 326.363 3.051 30 40 EGEB CC(=O)N[C@H](CC(=O)[C@@H](C#N)c1ccccn1)c1ccc(Cl)cc1 49457172 DUJFPXGHSQIBCV-DOTOQJQBSA-N 341.798 3.179 30 40 EGEB Cc1cn2ccccc2[n+]1CC(=O)c1cccc(Br)c1 18191546 YQNRGLJVCHZMPC-UHFFFAOYSA-N 330.205 3.181 30 40 EGEB N#Cc1cc(Br)ccc1NCCc1nnc2ccccn12 96008393 BJFWEBNGIPJTKG-UHFFFAOYSA-N 342.200 3.018 30 40 EGEB N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnsn3)n2)cc1 78724159 BRNOTMGNCMVVFZ-LLVKDONJSA-N 337.389 3.023 30 40 EGEB CC/N=C(/NCCCc1c[nH]c2ccccc12)NCc1ccccn1 95405745 FZODZCSKJLHCAO-UHFFFAOYSA-N 335.455 3.251 30 40 EGEB CC/N=C(/NCc1nc(C)c(C)s1)N[C@@H]1CCOc2ccccc21 89015597 LCSDUNUCTFEQNE-OAHLLOKOSA-N 344.484 3.339 30 40 EGEB C=CCN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224749330 MVLTWXTZRWORJP-UHFFFAOYSA-N 336.344 3.115 30 40 EGEB C=CCNC(=S)Nc1nc(Cl)cc(N2C[C@@H](C)C[C@H](C)C2)n1 225926442 LFBGLJQYTUKHGT-QWRGUYRKSA-N 339.896 3.085 30 40 EGEB C=C(Br)CN1CCC(C(=O)Nc2cccc(F)c2)CC1 95431809 QRNQIIPHCYHDEK-UHFFFAOYSA-N 341.224 3.385 30 40 EGEB O=[N+]([O-])c1cccc(/C=N\N=c2\[nH]nc(Cl)c3ccccc23)c1 4471576 UXNBRNASCNCLGL-MFOYZWKCSA-N 327.731 3.059 30 40 EGEB COc1ccc(/C=N/OCC(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)cc1 4546271 KHBNNPYVSGEVEI-RJJSUGEPSA-N 344.455 3.473 30 40 EGEB COc1cccc([C@H]2CCCN2C(=O)COc2ccc(C#N)cc2)c1 11142657 JHYBULNVYUFWDG-LJQANCHMSA-N 336.391 3.309 30 40 EGEB C#CCOc1ccc(/C=N/NCc2ccccc2Cl)cc1OC 8811847 ZAIVPXNBBDWJQO-UDWIEESQSA-N 328.799 3.484 30 40 EGEB COc1cccc([C@@H]2CC(=O)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)c1 1427541 SCSUNDHWZPQLIK-HNNXBMFYSA-N 342.439 3.131 30 40 EGEB Cc1c(C(=O)/C=C/c2c[nH]nc2C(C)(C)C)nnn1-c1ccccc1 58406479 BBVOVJAZYRDDGR-ZHACJKMWSA-N 335.411 3.492 30 40 EGEB COc1cc(/C=N/O)c(Br)c(Br)c1OC 16194713 KQWPFWQJDPHKBD-UUILKARUSA-N 338.983 3.037 30 40 EGEB COc1cc(/C=N/c2nnc[nH]2)ccc1OCCOc1ccccc1 4182131 LYEVHIJZOMQUJU-XDHOZWIPSA-N 338.367 3.022 30 40 EGEB Cn1c(SCC(=O)Nc2ccc(C#N)cc2)nnc1-c1ccccc1 15009365 DUJYDWKQEIBQOY-UHFFFAOYSA-N 349.419 3.085 30 40 EGEB N#C[C@@H](C(=O)c1cc2cc(F)ccc2o1)c1nnc2n1CCCCC2 97103747 SACQLBUNXMCGGC-ZDUSSCGKSA-N 338.342 3.380 30 40 EGEB C#CCCCS(=O)(=O)Nc1ccc2oc(C(F)(F)F)nc2c1 585136376 CTPLEGKFVCMICB-UHFFFAOYSA-N 332.303 3.002 30 40 EGEB CC(=O)Nc1ccc(/C=N/NC(=S)Nc2ccc(F)cc2)cc1 5431602 CIBOFAUSKNPKPQ-VCHYOVAHSA-N 330.388 3.105 30 40 EGEB O=C1C(=C2C=CN(CCN3CCCCC3)C=C2)C(=O)c2ccccc21 2024833 PJDWXYUHJJXSKQ-UHFFFAOYSA-N 334.419 3.191 30 40 EGEB Cc1ccc(-n2nnnc2[C@H](C#N)C(=O)c2cccc(Cl)c2)cc1 16311447 JGBFUYXKTKKEHD-OAHLLOKOSA-N 337.770 3.114 30 40 EGEB COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]nc(O)c32)cc1 12347458 BBBBQAZJXCCLDV-CQSZACIVSA-N 339.395 3.325 30 40 EGEB Cc1nnc(N2CCN(Cc3ccc(Cl)s3)CC2)c(C#N)c1C 24054087 UJYIHXVOHYMKQF-UHFFFAOYSA-N 347.875 3.002 30 40 EGEB C#CCNC(=O)[C@H](C)Nc1ccc(Oc2ccccc2OC)c(F)c1 58182933 XWWNKDHQNZNOOL-ZDUSSCGKSA-N 342.370 3.176 30 40 EGEB N#Cc1ccc(CN2CCN(CCc3cccs3)CC2)c(F)c1 58424184 OLVLJBNUDSBKCA-UHFFFAOYSA-N 329.444 3.119 30 40 EGEB N#Cc1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2Cl)cc1 3474540 CJRCSSUJBVANPD-UHFFFAOYSA-N 332.718 3.146 30 40 EGEB CC(C)[C@@H](NC(=O)Nc1cccc(C#N)c1)c1nnc2ccccn12 65552320 WRNIRNCBKFDZKI-MRXNPFEDSA-N 334.383 3.120 30 40 EGEB N#Cc1ccccc1COc1ccc(/C=C2/SC(=O)NC2=O)cc1 113833911 QRHCDZTXJWPXOH-CXUHLZMHSA-N 336.372 3.461 30 40 EGEB Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1ccc2[nH]ccc2c1 71753787 VCSIRYSGILHOBG-UHFFFAOYSA-N 328.379 3.393 30 40 EGEB CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc(C#N)cs1 84116326 XLTFLMCXRPMORA-INIZCTEOSA-N 339.464 3.214 30 40 EGEB CC[C@@H](CC#N)NC(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 97141415 XDCMZMSCHRAJOJ-JTQLQIEISA-N 334.807 3.046 30 40 EGEB C=CCn1c(SC[C@H](C)N(C)C)nc2cc(Cl)ccc2c1=O 95941638 NPXBDNFJDRHPAT-NSHDSACASA-N 337.876 3.278 30 40 EGEB COc1ccc(C(=O)[C@@H](C)C=O)c(OCc2ccccc2)c1OC 31720501 GTXLPEQSPUVEGQ-ZDUSSCGKSA-N 328.364 3.301 30 40 EGEB C=C(C)Cn1c(=O)n(Cc2ccccc2)c(=O)c2cc(C)sc21 32087513 BSYNSHPOEASFEL-UHFFFAOYSA-N 326.421 3.158 30 40 EGEB CC(C)C[C@H](C)S(=O)(=O)/N=C(\O)c1c(C(C)C)nn(C)c1Cl 95404984 QERSJFBKSWDGER-JTQLQIEISA-N 349.884 3.266 30 40 EGEB CC[C@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)[C@@H]1CCCO1 96493482 HUWBNPBSIJZTMR-PMACEKPBSA-N 327.472 3.070 30 40 EGEB C#CCN([C@@H]1CCc2ccccc21)S(=O)(=O)Cc1ccc(F)cc1 69532971 HVOUZAHPYZTFAE-LJQANCHMSA-N 343.423 3.278 30 40 EGEB C[C@H](OC(=O)c1csc(-c2cnccn2)n1)c1cccc(C#N)c1 77942729 VLQQKZQJKMRIFV-NSHDSACASA-N 336.376 3.390 30 40 EGEB C/N=C1\S/C(=C/c2cccn2-c2ccc(N(C)C)cc2)C(=O)N1C 15225240 YWPMJNTXXLSVGH-BOXNHUFISA-N 340.452 3.075 30 40 EGEB C[C@H](c1nc2ccccc2s1)N1CCN(c2ccc(C#N)cn2)CC1 28742990 KWZJERSMKRFMSV-CQSZACIVSA-N 349.463 3.446 30 40 EGEB CC(C)(C)c1nc(CN2CCN(c3cc(C#N)ccn3)CC2)cs1 29714269 MXKFGIMFPBYMMN-UHFFFAOYSA-N 341.484 3.029 30 40 EGEB C/C(=N\C1CCCC1)c1c(C)[nH]n(-c2ccc([N+](=O)[O-])cc2)c1=O 105370214 BXOVVGSGFYSJNW-WOJGMQOQSA-N 328.372 3.134 30 40 EGEB C[C@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2[C@@H](O)C[C@@]3(C)[C@@H](CC[C@@]3(C)O)[C@H]12 118935721 SUKMOMANEUHOTO-JVUUNRTDSA-N 332.484 3.486 30 40 EGEB N#C[C@@H](C(=O)c1ccc(Cl)c(Cl)c1)C(=O)N1CCCCC1 103502423 DERKZZYPPIFAGW-NSHDSACASA-N 325.195 3.328 30 40 EGEB COc1ccc(CN(C)C(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc1F 23734524 QEPVAHFAOBPLDK-CYBMUJFWSA-N 342.370 3.132 30 40 EGEB Cc1c(C(=O)Nc2ccc(OCC#N)cc2)cnn1-c1ccccc1 24698770 KMJUGGAARVJLKL-UHFFFAOYSA-N 332.363 3.335 30 40 EGEB Fc1ccc(NC(=S)N/N=C/c2ccc3c(c2)OCO3)c(F)c1 17070581 MVGVZNCQQWNGBK-CNHKJKLMSA-N 335.335 3.014 30 40 EGEB CSc1nc2n(n1)[C@@H](c1cccc(F)c1)C1=C(CCCC1=O)N2 4436095 LNQKGHAKWLJCMY-AWEZNQCLSA-N 330.388 3.161 30 40 EGEB COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cccc2ccccc12 409138944 KHCHRZUDQRDRGT-KRWDZBQOSA-N 349.386 3.304 30 40 EGEB CCOc1cc(/C=N\OCC(=O)Nc2ccccc2C)ccc1OC 33409110 VOLKXVPNIUVTGD-NDENLUEZSA-N 342.395 3.392 30 40 EGEB N#Cc1ccc(CCC(=O)N[C@H](c2cccnc2)C2CCOCC2)cc1 225620163 QWYPKMKFAKHIMI-NRFANRHFSA-N 349.434 3.170 30 40 EGEB N#C[C@H](C(=O)c1cnc2c(cnn2C2CCCC2)c1)c1ccccn1 96402617 KCFBDZQIJMTERO-INIZCTEOSA-N 331.379 3.431 30 40 EGEB CC(C)OC(=O)C[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C#N)c2)C1 274219670 NIDAWTBIPNFKCW-ZDUSSCGKSA-N 331.372 3.025 30 40 EGEB O=C1C(Cl)=C(NCCc2ccc(F)cc2)C(=O)c2ccccc21 100738767 HMGFDJBXYCYBGR-UHFFFAOYSA-N 329.758 3.487 30 40 EGEB CCOc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])c1O 6959004 GQELEAPIEBTLOK-CXUHLZMHSA-N 331.284 3.358 30 40 EGEB C=CCc1cc(C(=O)NCCCN2CCC(C)CC2)ccc1OC 10540993 NMLFVKOTWAGZKL-UHFFFAOYSA-N 330.472 3.276 30 40 EGEB C=CCOc1ccc2c(c1)CC[C@@H]1[C@@H]3C[C@H](O)[C@H](O)[C@]3(C)CC[C@@H]21 8242865 GVKVGOGUDSJCLX-HXIANDDZSA-N 328.452 3.439 30 40 EGEB Cc1cccc(NC(=O)C[C@H]2S/C(=N/C3CCCCC3)NC2=O)c1 12462815 NKGLBDMKNKWKRR-OAHLLOKOSA-N 345.468 3.244 30 40 EGEB N#Cc1ccccc1S(=O)(=O)N(Cc1ccc(F)cc1)C1CC1 12749969 ZWGUPHKBQOHAMU-UHFFFAOYSA-N 330.384 3.051 30 40 EGEB CC/N=C1\S[C@H](CC(=O)Nc2ccccc2Cl)C(=O)N1CC 13427590 NWECZMAWDSRFGK-UWENYHRYSA-N 339.848 3.008 30 40 EGEB CCOc1nc2ccccc2nc1[C@@H](C#N)C(=O)NC1CCCCC1 5451406 AECHQNPMIBMUCP-CQSZACIVSA-N 338.411 3.085 30 40 EGEB COc1cccc(-n2c(SCC#N)nc3ccsc3c2=O)c1 71768734 AZURLCLFSMHTQR-UHFFFAOYSA-N 329.406 3.071 30 40 EGEB CSc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)SC2 20263191 VFQKQBRAQFOGSO-UHFFFAOYSA-N 335.498 3.080 30 40 EGEB C#CCOc1ccc(NC(=O)NCCCc2c(C)noc2C)cc1 84023207 QYURIJNJPNUBDD-UHFFFAOYSA-N 327.384 3.058 30 40 EGEB C=C(C)Cn1c(S[C@H](C)C(=O)OCC)nc2ccccc2c1=O 27298541 YOCPMIHNTSQNMG-GFCCVEGCSA-N 332.425 3.016 30 40 EGEB CC(C)(C)OC(=O)N1CC[C@H](CN(CCC#N)Cc2cccnc2)C1 85826793 QMSQCKZCGSSVQP-QGZVFWFLSA-N 344.459 3.054 30 40 EGEB CN(C)CCC[C@@]1(c2ccc(F)cc2)O[C@H](O)c2cc(C#N)ccc21 34433138 LJPQJFHBFOOIHE-PMACEKPBSA-N 340.398 3.304 30 40 EGEB in-vitro C#CCOC(=O)c1ccc(OC)c(-c2cc3ccccc3oc2=O)c1 216936933 VVKATDNHGFKUFR-UHFFFAOYSA-N 334.327 3.259 30 40 EGEB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3cccc(F)c3)C2(C#N)C#N)cc1 218370695 QXDFQTHLGIDIAJ-SJORKVTESA-N 340.379 3.107 30 40 EGEB C#CCOC(=O)/C=C/c1ccc(-c2ccc(OC)c([N+](=O)[O-])c2)o1 226257418 MFYSCASFUDAXGI-RMKNXTFCSA-N 327.292 3.053 30 40 EGEB C=CCO[C@H](C)C(=O)Nc1sc(-c2ccccc2)cc1C(N)=O 69665679 LSQCGKNBLSYEKG-LLVKDONJSA-N 330.409 3.044 30 40 EGEB CCOC(=O)[C@@H](C#N)c1c(F)c(F)c(C(F)(F)F)c(F)c1F 5575242 BEHZAAUZNUYAIK-BYPYZUCNSA-N 329.171 3.432 30 40 EGEB N#Cc1c(Cn2cnc3sc4c(c3c2=O)CCC4)cn2ccccc12 14901481 GEQXWFZCJGCYIQ-UHFFFAOYSA-N 346.415 3.119 30 40 EGEB CCC(=O)OC1(C#CCOc2ccc(Cl)cc2)CCN(C)CC1 2200150 JESCTWPXTVDQCK-UHFFFAOYSA-N 335.831 3.140 30 40 EGEB CN(C)c1ccc(/C=C2/C(=O)ON=C2c2cccc([N+](=O)[O-])c2)cc1 32204 ZLGAVCDOBWWZJO-MHWRWJLKSA-N 337.335 3.005 30 40 EGEB COc1ccc([C@H]2/C(=C(/C)O)C(=O)C(=O)N2c2ccc(F)cc2)cc1 102431589 GMPNMVHBJCPPJS-YTBHAWNYSA-N 341.338 3.323 30 40 EGEB COc1cc(/C=C2\Sc3ccccc3C2=O)ccc1OCC(=O)O 9235543 HZSKYUARSLCKST-SXGWCWSVSA-N 342.372 3.488 30 40 EGEB C=CCOc1cccc(/C=C2\C(=O)N(C(C)C)C(C)=C2C(=O)OC)c1 59959416 SNKIRQSJWKLIDI-ATVHPVEESA-N 341.407 3.332 30 40 EGEB C=CCCO[C@H](C)C(=O)Nc1ccc(NC[C@H]2CCCO2)c(F)c1 71916157 LFNPBSLSPLIXSC-UKRRQHHQSA-N 336.407 3.336 30 40 EGEB COc1cc(/C=N/Nc2ccccc2)cc(Cl)c1OCC(=O)O 409264158 PKIFIEFCVYZARJ-GIJQJNRQSA-N 334.759 3.258 30 40 EGEB Cc1[nH]c2ccccc2c1[C@]1(O)C(=O)N(CCCC#N)c2ccccc21 2212093 IGKTZNVYTSFDOC-NRFANRHFSA-N 345.402 3.363 30 40 EGEB CCOc1cc(/C=N/Nc2cc(=O)n(C)c3ccccc23)ccc1O 4806992 CJVLFWCDHXWMON-UDWIEESQSA-N 337.379 3.089 30 40 EGEB COc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c(OC)c1 4822680 AINRFKCOQWNUCA-UHFFFAOYSA-N 349.202 3.475 30 40 EGEB Cc1c(C(=O)/C=C/c2ccc(-n3cncn3)cc2)c(C#N)c2n1CCC2 71186331 RQORQQCETQXNLI-RMKNXTFCSA-N 343.390 3.091 30 40 EGEB C[S@](=O)c1ccc(CNc2nc3c(cc2C#N)CCCC3)cc1 95452076 TUURFCZMJBUVFC-HSZRJFAPSA-N 325.437 3.182 30 40 EGEB COc1cc(C(=O)N[C@@H](C#N)c2cnn(-c3ccccc3)c2)ccc1C 65554029 JGIFOMADPKKGAW-SFHVURJKSA-N 346.390 3.184 30 40 EGEB COc1cccc(N/C(C)=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 13286588 RIXIJUQGXYSFGS-UHFFFAOYSA-N 345.315 3.369 30 40 EGEB CCOC(=O)[C@@H](C#N)[C@]1(Cc2ccccc2)C[C@H](C)N(C)C[C@@H]1C 4696769 ISTLFIQBNBWVQL-YTXYEVPYSA-N 328.456 3.278 30 40 EGEB C=CCOc1ccc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc1 58865647 MRMIODZHIMFCJI-UHFFFAOYSA-N 328.364 3.395 30 40 EGEB CCOC(=O)c1ccc(/N=C/c2ccc(OC)c(C(=O)O)c2)cc1 100216176 DJRWBDJRWDHGQM-YBFXNURJSA-N 327.336 3.321 30 40 EGEB C[C@H]1CN(Cc2ccc(CNCc3cccc(C#N)c3)cc2)C[C@@H](C)O1 47609582 RKQJVHURAMXVPA-HDICACEKSA-N 349.478 3.457 30 40 EGEB C=CCN(CC(F)(F)F)C(=O)C[C@@H]1Sc2ccccc2NC1=O 58331015 ZOJFHTWWTMUFOW-LBPRGKRZSA-N 344.358 3.066 30 40 EGEB Cc1nc(C(=O)Nc2cccc(C#N)c2)nn1-c1ccc(Cl)cc1 15191563 BYBSYMOSPWELPG-UHFFFAOYSA-N 337.770 3.353 30 40 EGEB Cc1c([C@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)cc(C#N)n1C 7113462 UONKTQLSHAUTGL-HNNXBMFYSA-N 348.328 3.334 30 40 EGEB COc1cc(Cl)c(/C=N/Nc2ccc([N+](=O)[O-])cn2)cc1OC 408880456 HWHCRVHPLMKCEQ-REZTVBANSA-N 336.735 3.106 30 40 EGEB CC[C@@H](CC#N)NC(=O)Nc1ccc(C)cc1OC[C@H]1CCCO1 95942650 DXLKFWFYQJXPHY-LSDHHAIUSA-N 331.416 3.367 30 40 EGEB CSc1nc(O)c(C(=O)N[C@@H]2c3ccccc3C[C@@H]2C)cc1C#N 77009820 KBAKZJWNAYVRJV-BONVTDFDSA-N 339.420 3.044 30 40 EGEB Cn1cc(C#N)cc1C(=O)N1CCC(Oc2ccccc2Cl)CC1 95435943 SSFUOTZBJNJYEO-UHFFFAOYSA-N 343.814 3.234 30 40 EGEB C[C@]12CC[C@@H]3[C@H](C[C@@H]4O[C@@]45CC4(CC[C@]35C)OCCO4)[C@H]1CCC2=O 252695369 YXFMREIBQXTTRD-BUNFECEISA-N 346.467 3.473 30 40 EGEB biogenic CCCN1C(=O)CCc2cc(NC(=O)c3ccc(C#N)cc3)ccc21 9107203 QOXMIVHHIAFUOQ-UHFFFAOYSA-N 333.391 3.500 30 40 EGEB N#Cc1ccc(NCc2cccc(NC(=O)[C@H]3CCCO3)c2)c(F)c1 60355868 KQSVDCRTCQXPSU-GOSISDBHSA-N 339.370 3.427 30 40 EGEB COc1cc(CNc2ncccc2C#N)ccc1OC[C@@H]1CCCO1 44976068 BOBCNRPMOYNLQF-INIZCTEOSA-N 339.395 3.132 30 40 EGEB CCCc1nnc(S)n1/N=C/c1ccccc1Br 6075965 KWCCLXOVHBOCHD-RIYZIHGNSA-N 325.235 3.164 30 40 EGEB CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(C#N)cc1 65987091 ZOMGYQOSJORKCR-UHFFFAOYSA-N 347.422 3.026 30 40 EGEB CCC/C(=N/Nc1ccc([N+](=O)[O-])cc1)c1cnnc(SC)n1 4649442 VIGAGTAIGGASOR-PDGQHHTCSA-N 332.389 3.118 30 40 EGEB N#Cc1c(CN2CCC[C@@H]2c2noc(C3CC3)n2)cn2ccccc12 76047605 HFGGIRCTHADKSD-QGZVFWFLSA-N 333.395 3.408 30 40 EGEB COc1cc(Cl)c(C)cc1NC(=O)CCNc1ncccc1C#N 75092153 WSIUINQFGRPSPY-UHFFFAOYSA-N 344.802 3.364 30 40 EGEB CCCCCCCNC(=O)C(=O)Nc1ccc(Br)cc1 408707063 JAPGRAHXSKINAS-UHFFFAOYSA-N 341.249 3.474 30 40 EGEB C=CCN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1cccs1 225127491 HKNJRBPUWMMIHB-UHFFFAOYSA-N 339.438 3.147 30 40 EGEB C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(CC)[nH]c(=O)c1 96496422 QFJLMYIGJBGCFW-UHFFFAOYSA-N 336.844 3.481 30 40 EGEB N#CC1(C(=O)N[C@@H]2CCN(c3ccccc3OC(F)F)C2)CCCC1 96408170 KGSRKQZTCZEGMF-CYBMUJFWSA-N 349.381 3.067 30 40 EGEB Cc1c(NC(=O)OC(C)C)nn(-c2ccc(Cl)cc2)c(=O)c1C#N 5724107 VDPTWUAIYKWPGM-UHFFFAOYSA-N 346.774 3.023 30 40 EGEB N#Cc1cccc(NC(=O)CNc2ccccc2Br)c1 11621121 GNHQIPPHEQFMFW-UHFFFAOYSA-N 330.185 3.371 30 40 EGEB O=C(c1ccccc1)[C@@H]1O[C@]12C(=O)Nc1c(Cl)cc(Cl)cc12 1624359 FTUTYMVOKVWCIV-HOCLYGCPSA-N 334.158 3.423 30 40 EGEB C[C@@H](OC(=O)/C=C/c1cccc(F)c1)C(=O)Nc1cccc(C#N)c1 6642802 PYAHTJVNBCKFJJ-MMQHEFTJSA-N 338.338 3.281 30 40 EGEB CCOc1cccc(NC(=O)O[C@@H]2C[C@H]3C[C@@H]2[C@H]2C[C@H]4O[C@@H]4[C@H]32)c1 101019082 TTWBJLXTVXWETO-OPZLCJORSA-N 329.396 3.446 30 40 EGEB C=CCSCC(=O)NCc1cccc(Cn2nc(C)cc2C)c1 54031939 JTAZWFPQXZWXCC-UHFFFAOYSA-N 329.469 3.084 30 40 EGEB COc1cc(C#N)ccc1OC(=O)c1cc(OC)c(C)c(OC)c1 22368714 LJONMEYFMCIZBE-UHFFFAOYSA-N 327.336 3.112 30 40 EGEB N#Cc1ccccc1OCc1ccc(C(=O)NCc2ccncc2)o1 48189662 GNFKHHPZQXRGHX-UHFFFAOYSA-N 333.347 3.055 30 40 EGEB C[C@H](Oc1ccc(C#N)cc1)C(=O)NCCCCOc1ccccc1 11079195 QQNIOCZCUXKEAN-INIZCTEOSA-N 338.407 3.301 30 40 EGEB C=CCN1C(=O)c2ccccc2N[C@@H]1c1c[nH]nc1-c1cccnc1 11034583 XWRQCXMDSVCHCW-SFHVURJKSA-N 331.379 3.224 30 40 EGEB C[C@H](O)CCN(C)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 96481506 QTXWZPFOLNEDMI-ZDUSSCGKSA-N 343.452 3.199 30 40 EGEB N#C[C@]1(NC(=O)/C=C/c2cc(Br)cs2)CCSC1 79860950 PWYFRCRTKSRREA-YYRQZUAOSA-N 343.271 3.039 30 40 EGEB N#Cc1cc2c(cc1C#N)OC(c1cccc(Br)c1)=NN2 24522885 JSPICYBASJAITE-UHFFFAOYSA-N 339.152 3.359 30 40 EGEB Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1 409296625 ULRPZOLCGMDBRF-UHFFFAOYSA-N 342.196 3.350 30 40 EGEB Cc1ncsc1C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 330032551 PEJDZUHJXCEXDO-UHFFFAOYSA-N 327.287 3.474 30 40 EGEB O=S(=O)(/N=C(O)/C=C/c1cncc(F)c1)c1ccc2c(c1)CCC2 96485408 VXTHTINEZJJRIH-QPJJXVBHSA-N 346.383 3.068 30 40 EGEB CCCCS[C@@H](C)C(=O)Nc1c(C)c(C#N)nn1-c1cccnc1 585124803 SKGIUTAHPAJOSG-ZDUSSCGKSA-N 343.456 3.308 30 40 EGEB CC1=C(C)/C(=N\OC(=O)c2ccccc2)C=C(Br)C1=O 3669098 OTYHDLWDLDAAIR-LGMDPLHJSA-N 334.169 3.397 30 40 EGEB CC(C)NS(=O)(=O)c1ccc(NN=C2CCCCCCC2)nc1 46101709 BJACCRPJUVWQII-UHFFFAOYSA-N 338.477 3.281 30 40 EGEB N#Cc1ccc(NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)c(F)c1 60355867 KQSVDCRTCQXPSU-SFHVURJKSA-N 339.370 3.427 30 40 EGEB Cc1ccc(NC(=O)C[C@@H]2S/C(=N\C(C)C)N(C(C)C)C2=O)cc1 12447816 SPYSRFPNYGKKJX-IJYGLTAASA-N 347.484 3.440 30 40 EGEB CCOC(=O)/C(=N/C(C)(C)C)NNc1cccc(C(F)(F)F)c1 3188875 HVNDCJATPGXNHS-UHFFFAOYSA-N 331.338 3.382 30 40 EGEB Cc1ccc(C)c(S(=O)(=O)N/N=C/c2ccc3ncccc3c2)c1 7785957 UNQXTGCKCIVOEN-UDWIEESQSA-N 339.420 3.164 30 40 EGEB C#CCOc1ccc(CNCCc2ccc(OC)cc2)cc1OCC 6558948 GMSWSAMVIMNEFQ-UHFFFAOYSA-N 339.435 3.438 30 40 EGEB N#Cc1cccnc1SCC(=O)Nc1ccccc1OC(F)F 7051663 IKFWXBRCDHCGJI-UHFFFAOYSA-N 335.335 3.285 30 40 EGEB O=C(COc1ccccc1)NCC#Cc1ccc(C(F)(F)F)cc1 72311337 CBSSJLAINOGOLM-UHFFFAOYSA-N 333.309 3.252 30 40 EGEB C[C@H](C/C(O)=N/S(=O)(=O)c1ccc(F)c(F)c1)n1cccc1 95398094 MWDVTHJKVNUMAT-SNVBAGLBSA-N 328.340 3.063 30 40 EGEB C[C@@H](NCc1ccc(CN2CCC(O)CC2)cc1)c1cccc(C#N)c1 95987886 ZZKGGGXHANOBGJ-QGZVFWFLSA-N 349.478 3.366 30 40 EGEB CC[C@@H](C)/C(O)=N/S(=O)(=O)c1cc(Cl)c(N)c(Cl)c1 75145016 YOGYHRGPAYNZKZ-ZCFIWIBFSA-N 325.217 3.267 30 40 EGEB CCO[C@H](C)/C(O)=N/S(=O)(=O)c1ccc(-c2ccccc2)cc1 78989154 RLZKRBNWYAQFAI-CYBMUJFWSA-N 333.409 3.424 30 40 EGEB N#Cc1cc(F)c(Br)cc1I 575687542 CVSBHCCHEVBALZ-UHFFFAOYSA-N 325.906 3.064 30 40 EGEB C#CCn1cc(CN(C)C(=O)Nc2cccc(O[C@H](C)CC)c2)cn1 96476176 QRQJPTHTQJDAEY-OAHLLOKOSA-N 340.427 3.358 30 40 EGEB CC(C)(C)OC(=O)Nc1nc(-c2ccccc2)c(/C(N)=N/O)s1 98071648 LNWPHJVTAKPDFA-UHFFFAOYSA-N 334.401 3.252 30 40 EGEB N#Cc1ccc(NC[C@@]2(Cc3ccc(F)cc3)CCC[C@H]2O)cn1 584387291 LYNZCAHOQSSUFX-MOPGFXCFSA-N 325.387 3.278 30 40 EGEB CCN(Cc1ccccc1)c1nn(-c2cccc(OC)c2)nc1C#N 256048203 RJHBAKLVCCNIHZ-UHFFFAOYSA-N 333.395 3.174 30 40 EGEB N#Cc1ccc(C(=O)NCC2(c3ccsc3)CCOCC2)cc1 952986243 JTRYELOLQPZTFF-UHFFFAOYSA-N 326.421 3.098 30 40 EGEB COc1ccc(CN2C(=O)[C@@H](C)S/C2=N\N=C\c2ccco2)cc1 2357220 PIDCDZDAANTFJH-BYOFMXEESA-N 343.408 3.142 30 40 EGEB N#Cc1cccc(N2CCC(COc3ccncc3Cl)CC2)n1 1889098170 OGEZQQQXERYALW-UHFFFAOYSA-N 328.803 3.297 30 40 EGEB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCC[C@@H](C)C4)[C@H]3[C@@H]3O[C@@]132 4028551 CSUXALKSMYDBAB-LOMAFBIMSA-N 347.499 3.244 30 40 EGEB biogenic C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1/C=COC1=O 59586751 YIIRVUDGRKEWBV-ORTKAQMXSA-N 332.440 3.115 30 40 EGEB biogenic,in-vitro C=CCNC(=O)c1ccc(=O)n(Cc2c(Cl)cccc2Cl)c1 3041286 GVZJSFPSSOBTQN-UHFFFAOYSA-N 337.206 3.119 30 40 EGEB CN(Cc1cnn(C)c1)C(=O)c1ccccc1-c1ccccc1C#N 24477856 BKXJHJZZOLJMKV-UHFFFAOYSA-N 330.391 3.231 30 40 EGEB COc1ccccc1[C@@H](CNc1oc(C(C)C)nc1C#N)N(C)C 27664460 IUYIVMGGCXCNGW-OAHLLOKOSA-N 328.416 3.393 30 40 EGEB CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cc(=O)c2ccccc2[nH]1 63667682 DKMKBTZTUBDNFE-UHFFFAOYSA-N 345.402 3.451 30 40 EGEB C[C@H]1C[C@@H]1c1ccc(/C=C2\C(=O)c3ccccc3S(=O)(=O)N2C)o1 13655847 WTSMIYHHQIFZKW-LHNWDAFHSA-N 343.404 3.261 30 40 EGEB C[C@@H](C#N)OC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 5894764 FSHIWSCZASHRMZ-LBPRGKRZSA-N 325.324 3.276 30 40 EGEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(O)cc1 19804866 HMCLRBHPZLXNEX-KRWDZBQOSA-N 347.370 3.134 30 40 EGEB COc1cccc(OC)c1OC1CCN(c2ncccc2C#N)CC1 71811150 BYQCBHYWJDXZFV-UHFFFAOYSA-N 339.395 3.018 30 40 EGEB C#CCN1CCCC[C@H]1C(=O)N[C@@H]1CCSc2ccc(C)cc21 72270366 RJEHKAOAKJWPDO-SJORKVTESA-N 328.481 3.136 30 40 EGEB C=CCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(C)=O 223471237 BBNXNSSBSBMQQD-IBGZPJMESA-N 340.398 3.218 30 40 EGEB C=CCC1(C(=O)Nc2ccc3oc(C(=O)O)cc3c2)CCOCC1 567720195 MEQHINJUODJFQS-UHFFFAOYSA-N 329.352 3.442 30 40 EGEB C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CCCC[C@@H]1OC 80485489 AQDIVDZXLJVOIV-ROUUACIJSA-N 327.428 3.213 30 40 EGEB Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(=O)CC#N)C(F)(F)F 195567593 OWTAGXFYXYAUHG-OAHLLOKOSA-N 336.317 3.122 30 40 EGEB C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)c(C)c1 224642634 ZSDXEXCKOQGXQC-UHFFFAOYSA-N 347.436 3.394 30 40 EGEB C=CCN1C(=O)CCC[C@]12CCCN(C(=O)Cc1ccc(C)cc1)C2 96077081 JGSNQJMSPGMTOF-OAQYLSRUSA-N 340.467 3.097 30 40 EGEB Cc1nc(-c2ccco2)cc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1 1615585589 JKWIYORSKNHFQV-IBGZPJMESA-N 346.390 3.495 30 40 EGEB Cc1cc(Br)c(NC(=O)CC#N)c(Br)c1 12650234 HYWJAQZORGFDHA-UHFFFAOYSA-N 331.995 3.372 30 40 EGEB Cc1cccc(-c2n[nH]c(SCC(=O)Nc3ccccc3C#N)n2)c1 19927524 FJSMNYHREJARBR-UHFFFAOYSA-N 349.419 3.383 30 40 EGEB C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1nccc(Br)c1C 565882318 WUGQCSQDMOVUIJ-ZYHUDNBSSA-N 325.206 3.072 30 40 EGEB N#Cc1cc(F)c(I)cc1Br 258833850 MNZGJBCWWSKZQD-UHFFFAOYSA-N 325.906 3.064 30 40 EGEB COc1cc(/C=C/C(=O)N(C)c2nc(C)cs2)ccc1OCC#N 40548933 RTADWUNAXSUKKW-FNORWQNLSA-N 343.408 3.039 30 40 EGEB COc1ccc(OCc2nc(C#N)c(NCc3ccco3)o2)cc1 200327 GVYYUNITSMBCKI-UHFFFAOYSA-N 325.324 3.339 30 40 EGEB N#Cc1ccc(CCC(=O)N2CCCN(Cc3ccccc3)CC2)cc1 46642450 UWIMATWWYDLWLE-UHFFFAOYSA-N 347.462 3.225 30 40 EGEB N#Cc1cccnc1NCc1cccc(NC(=O)c2ccncc2)c1 54836858 UWXLBQTUDFBFOE-UHFFFAOYSA-N 329.363 3.213 30 40 EGEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCCCCOc1ccccc1 11079200 QQNIOCZCUXKEAN-MRXNPFEDSA-N 338.407 3.301 30 40 EGEB C=CCOc1ccc(NC(=O)COc2cc(OC)cc(OC)c2)cc1 218891702 LLYLCNLXJXSHAR-UHFFFAOYSA-N 343.379 3.286 30 40 EGEB CC1=NOC(=O)[C@@]12C(=O)N(Cc1ccccc1Cl)c1ccccc12 96191580 BVAFCJCRSLGPJE-SFHVURJKSA-N 340.766 3.057 30 40 EGEB C=CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1cccc(F)c1 101231805 SWFGLWAEXFMDND-GROYHEBESA-N 337.350 3.433 30 40 EGEB Cc1csc([C@H](C#N)C(=O)COC(=O)Cc2ccc(Cl)cc2)n1 7987261 GMQBAHBYDYIPQT-CYBMUJFWSA-N 348.811 3.067 30 40 EGEB CC(=O)Nc1cc[n+]([C@@H](C)C(=O)c2ccc(Br)cc2)cc1 4950126 RLJXMBCBFKLFOA-NSHDSACASA-O 348.220 3.139 30 40 EGEB C=CCn1nnnc1NCc1ccccc1OCc1ccccc1F 6856493 ICYPGWBDKIYGBM-UHFFFAOYSA-N 339.374 3.189 30 40 EGEB N#CCCN(C(=O)COC(=O)c1cccc(Cl)c1)c1ccccc1 2636531 LMLWJSDAGRMVMT-UHFFFAOYSA-N 342.782 3.444 30 40 EGEB Cc1cccc2c1N(CCOc1ccccc1Cl)C(=O)/C2=N\O 101101761 UBIAKLULIZXRGQ-CYVLTUHYSA-N 330.771 3.252 30 40 EGEB CC[C@]1(C)NC(=O)N(/N=C/C=C2/N(C)c3ccccc3C2(C)C)C1=O 21841913 PCJMXPICVCLJLG-BPOJCWDOSA-N 340.427 3.004 30 40 EGEB N#Cc1cccc(CN2CCC(C(=O)N3CCCCCC3)CC2)c1 26267303 TUQXRUWODCEUJF-UHFFFAOYSA-N 325.456 3.173 30 40 EGEB C[C@H]1CO[C@H](C)CN1CC(=O)Nc1ccccc1S[C@H](C)CC#N 108348644 JQCNPJBXLSNPAA-RRFJBIMHSA-N 347.484 3.129 30 40 EGEB Cc1nnc(SCC(=O)Nc2ccccc2C#N)n1-c1ccccc1 3409891 DUVHFDCPDIRZBU-UHFFFAOYSA-N 349.419 3.178 30 40 EGEB C=CCNC(=S)N/N=C/c1cccc(OCc2ccccc2F)c1 4510922 QOTCRJSPOBEFLF-CIAFOILYSA-N 343.427 3.389 30 40 EGEB C=CCOc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 6558224 MRLWQDWNOXCCJQ-UHFFFAOYSA-N 326.352 3.432 30 40 EGEB N#Cc1ccc(CCC(=O)NCCc2ccc(-n3cccn3)cc2)cc1 14417440 MAQVBQMRKXKQHD-UHFFFAOYSA-N 344.418 3.035 30 40 EGEB CCc1c(C)sc(NC(=O)c2ccccc2S(C)(=O)=O)c1C#N 68678077 LGQMIMKTTMLZNV-UHFFFAOYSA-N 348.449 3.146 30 40 EGEB Oc1ccc2ccccc2c1/C=N/n1c(S)nnc1-c1cccnc1 9319149 WZSUPWOWOUQTDL-RGVLZGJSSA-N 347.403 3.370 30 40 EGEB C=C(C)CN(CC)C(=O)Nc1ccc2c(ccn2CC(=O)N(C)C)c1 71883750 ORNPRAHRXYRIEW-UHFFFAOYSA-N 342.443 3.159 30 40 EGEB Cc1c(CS(C)(=O)=O)cccc1NCc1ccc(C#N)cc1F 75140308 KIYLPQTTXIWTIN-UHFFFAOYSA-N 332.400 3.163 30 40 EGEB Cc1sc(NC(=O)CN2CCN(C)c3ccccc32)c(C#N)c1C 177161003 XPLNWQCJPFNYCX-UHFFFAOYSA-N 340.452 3.132 30 40 EGEB Cc1cccc(S(=O)(=O)/N=C(\O)CCCc2csc(C)n2)c1 96456362 KSKNYNPAQIGVCW-UHFFFAOYSA-N 338.454 3.428 30 40 EGEB N#CC1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 96499973 NWQYGSSPZHLEER-UHFFFAOYSA-N 333.240 3.059 30 40 EGEB CCOc1ccc(-n2nc(C#N)c(N(C)Cc3ccccc3)n2)cc1 256048098 QSRBDLYVVVDNJL-UHFFFAOYSA-N 333.395 3.174 30 40 EGEB N#Cc1c(N)nc2c(c1N)[C@@H](c1ccc(F)cc1)c1ccc(N)cc1O2 36559231 SLJJXBMBXHJBKK-HNNXBMFYSA-N 347.353 3.125 30 40 EGEB O=C1CCCC2=C1C(c1ccc([N+](=O)[O-])o1)C1=C(CCCC1=O)O2 3203600 LERPRDXDXDIKLN-UHFFFAOYSA-N 329.308 3.316 30 40 EGEB N#CCCN(Cc1cccnc1)C(=O)c1cc(-c2ccccc2)[nH]n1 68924551 YYMQQCAFQLWKAJ-UHFFFAOYSA-N 331.379 3.028 30 40 EGEB CSc1ccc(/C=[N+](\[O-])[C@@H]2N(C)C(=S)SC2(C)C)cc1 13756115 JIQZZEFQTIJNID-PFSWGADMSA-N 326.512 3.406 30 40 EGEB COc1ccc(F)cc1[C@H](C)Nc1ncnc2c1cnn2CCC#N 65519806 SNCXXDVWJGVRKK-NSHDSACASA-N 340.362 3.061 30 40 EGEB N#Cc1nc(-c2ccccc2)oc1S(=O)(=O)c1ccc(F)cc1 80344590 DEOJOBZAYATVFX-UHFFFAOYSA-N 328.324 3.185 30 40 EGEB Cc1csc([C@@H](C#N)C(=O)CSc2ncc3ccccn23)n1 23327906 ANQKZBVMAATJML-LBPRGKRZSA-N 328.422 3.068 30 40 EGEB CS(=O)(=O)Nc1cccc(C(=O)/C=C/c2ccc(Cl)nc2)c1 95407403 PXLAOJYDELVCCI-FNORWQNLSA-N 336.800 3.003 30 40 EGEB C=CCn1c(SCc2ccc(Cl)cn2)nnc1-c1cnccn1 95993796 SRYLKCABAVUQAT-UHFFFAOYSA-N 344.831 3.262 30 40 EGEB COC(=O)c1ccccc1/N=C\c1ccc(OCC(=O)O)c(Cl)c1 408845476 NIJJMASEEFAHJB-OCKHKDLRSA-N 347.754 3.341 30 40 EGEB N#C[C@H]1CCCC[C@@H]1OC(=O)CCC(=O)c1ccc2c(c1)OCCO2 78612125 KLZPWYKFUJOOPO-ZBFHGGJFSA-N 343.379 3.046 30 40 EGEB COC(C)(C)CCOc1c(N)cc(C#N)n1Cc1ccc(F)cc1 225878365 HYWWXTUXUVTPMM-UHFFFAOYSA-N 331.391 3.323 30 40 EGEB C=CCOC[C@]12CCCO[C@@H]1CCN(C(=O)c1sccc1C)C2 96039662 CXBABLGHEGYBNP-CRAIPNDOSA-N 335.469 3.270 30 40 EGEB COc1ccccc1/N=N/Nc1ccc(S(=O)(=O)/N=C(/C)O)cc1 18167436 VOCJIECKEWOVOE-UHFFFAOYSA-N 348.384 3.471 30 40 EGEB C[C@H]1CN(CN2C(=O)/C(=N/c3ccccc3)c3ccccc32)C[C@@H](C)O1 100153734 LBEGJLYBEASKPC-HWGJHUBPSA-N 349.434 3.221 30 40 EGEB O=[N+]([O-])c1ccc(N/N=C/C=C/c2ccc([N+](=O)[O-])o2)c([N+](=O)[O-])c1 103441244 RRPPKMMLIQUJTH-KGYSUWQBSA-N 347.243 3.115 30 40 EGEB N#Cc1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)cn1 96501487 HAWMSHHEJCIFBY-UHFFFAOYSA-N 328.180 3.061 30 40 EGEB CCN(CC)c1nc(Nc2ccc(Cl)cc2)nc(OCC#N)n1 2271275 VOAUQLPXJRAWTL-UHFFFAOYSA-N 332.795 3.017 30 40 EGEB C[C@]12CCC[C@]3(CO3)[C@H]1C[C@@H]1[C@@H](CN3CCCCCC3)C(=O)O[C@@H]1C2 4028422 ZSUPEDHHNCWLCU-ZPMOIGASSA-N 347.499 3.389 30 40 EGEB biogenic C=CCOc1ccc(C(=S)NCc2ccc3c(c2)OCO3)cc1 408572446 HBFRRXXGHGYRTC-UHFFFAOYSA-N 327.405 3.445 30 40 EGEB CN1C(=O)[C@](O)(CC(=O)/C=C/c2ccccc2)c2cc(Cl)ccc21 4555362 WRWHPSLNOWZFCR-XSBJJCPUSA-N 341.794 3.177 30 40 EGEB COc1cc([C@@H](C#N)NC(=O)c2ccc(C)cc2)cc(OC)c1OC 67701495 OTRZYUCRROBRHC-OAHLLOKOSA-N 340.379 3.016 30 40 EGEB C[C@@H](N[C@@H]1CCN(c2sccc2C#N)C1=O)c1ccc(F)c(F)c1 84647917 LVXVZYNVRXQSFR-MEBBXXQBSA-N 347.390 3.354 30 40 EGEB C/N=C1\S/C(=C\c2cc(C)n(-c3cccnc3)c2C)C(=O)N1C 408774613 PXZPQZJLNMXXMV-SJPQCXBQSA-N 326.425 3.021 30 40 EGEB O=[N+]([O-])c1ccc(N/N=C\c2ccc(Br)s2)nc1 36145103 OQIXPEYPPBHHHU-MLPAPPSSSA-N 327.163 3.260 30 40 EGEB Cc1ccc(S(=O)(=O)OC[C@@]23CC[C@](C)([C@@H](O)C2)C3(C)C)cc1 216341907 ZFXRPTRISLWUBJ-CGTJXYLNSA-N 338.469 3.278 30 40 EGEB Cc1ccc(N2C[C@H](c3noc(-c4ccc(C#N)cc4)n3)CC2=O)cc1 49060457 SFJVJBQMIRIRBM-MRXNPFEDSA-N 344.374 3.437 30 40 EGEB CCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O 5177375 BNWGBZCFYUGYCP-RCEBRVLHSA-N 328.320 3.226 30 40 EGEB COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)NC(=S)[C@H]2C#N)cc1 5231380 NMOREFXOAWLKJQ-BBRMVZONSA-N 340.448 3.492 30 40 EGEB CNc1ccccc(C(=O)/C=C/c2cccc(OC)c2OC)c1=O 19909667 IYEWJOGCVSYGBW-VAWYXSNFSA-N 325.364 3.002 30 40 EGEB CCOc1ccc(CN(C)CCC(=O)Nc2sccc2C#N)cc1 32654907 LPANUFCVMOEUFS-UHFFFAOYSA-N 343.452 3.479 30 40 EGEB C=CCCCN(C)C(=O)CCCc1nc(-c2ccc(OC)cc2)no1 71914815 SAGSSIRHDGHYPD-UHFFFAOYSA-N 343.427 3.493 30 40 EGEB CCC[C@H]1CCCN(C(=O)c2cc(C#N)c(SC)nc2O)CC1 61637367 ZCRONHKZRWHIFE-LBPRGKRZSA-N 333.457 3.423 30 40 EGEB CC(C)C1=CC(=O)C2=C(CC[C@@H]3C4=C(CC[C@@]23C)C(=O)OC4)C1=O 1572128 SZTABFBXCBBJRR-FOIQADDNSA-N 326.392 3.081 30 40 EGEB biogenic CN(C)[C@H](CNC(=O)Nc1cccc(C#N)c1)c1ccc(F)cc1 48052644 KQTUNAPHDZQTSC-QGZVFWFLSA-N 326.375 3.122 30 40 EGEB C=CCN(CCc1ccccc1)C(=O)Nc1ccc(F)c(C(N)=O)c1 62389247 CNTZDXUFHVMQPX-UHFFFAOYSA-N 341.386 3.187 30 40 EGEB O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1/N=C/c1ccccc1 3427652 DCNLSHBRTRVACE-RGVLZGJSSA-N 345.314 3.378 30 40 EGEB N#Cc1ccccc1OCC(=O)Nc1ccccc1Br 3445558 VWTHYUICSCYGFX-UHFFFAOYSA-N 331.169 3.338 30 40 EGEB N#Cc1cnc(SCc2ccc(F)c(Br)c2)nc1N 48620484 BMPAABDWVQGAGX-UHFFFAOYSA-N 339.193 3.124 30 40 EGEB CCOC(=O)c1[nH]c(C)c(C(=O)/C=C/c2ccc(C(=O)O)cc2)c1C 8394780 PEJLZBUDRIZFLX-JXMROGBWSA-N 341.363 3.403 30 40 EGEB COc1cc(C#N)ccc1O[C@H](C)C(=O)N1CCCc2ccccc21 9156014 DMMHZAHOSCLLID-CQSZACIVSA-N 336.391 3.314 30 40 EGEB CC(C)=C/C(O)=N/S(=O)(=O)c1ccc(F)cc1C(F)(F)F 71883912 ZCGQVPIHKPURNR-UHFFFAOYSA-N 325.283 3.456 30 40 EGEB CN(C)c1cccc(C(=O)NC2CCN(c3ccccc3C#N)CC2)c1 72277253 XHDAAQIYFSRREC-UHFFFAOYSA-N 348.450 3.023 30 40 EGEB O=S(=O)(/N=C(O)/C=C/c1cncc(F)c1)c1ccccc1Cl 95443025 CEKWQZQLJCXENW-AATRIKPKSA-N 340.763 3.233 30 40 EGEB COc1ccc(/C=N/c2nnc(/N=C/c3ccc(OC)cc3)[nH]2)cc1 28294678 UKOYKKFIZAPOOG-AYKLPDECSA-N 335.367 3.323 30 40 EGEB CCO[C@@]1(C(=O)Nc2ccc(OC(C)=O)c(C#N)c2)CCC[C@H](C)C1 225833501 PXAWPTMDGQGUAO-DJJJIMSYSA-N 344.411 3.407 30 40 EGEB N#C[C@@H](c1ccccc1)N1CCN(Cc2ccncc2Cl)CC1 88524114 GREBLNPFXGQRRZ-SFHVURJKSA-N 326.831 3.117 30 40 EGEB N#Cc1ccc(N2CCN(c3cccc(Br)c3)CC2)nc1 286674072 IFKQUQCFSSKPDT-UHFFFAOYSA-N 343.228 3.042 30 40 EGEB C=CC[C@@H](C(=O)NCCc1nc2c(s1)COCC2)c1ccccc1 1616031835 CHMPGSKRKSVMLS-OAHLLOKOSA-N 342.464 3.234 30 40 EGEB COc1ccc(O)c(/C=N/NC(=S)Nc2c(C)cccc2C)c1 3271603 MFMGEEKMXZWJQH-VCHYOVAHSA-N 329.425 3.338 30 40 EGEB N#CCCN(C(=O)COC(=O)/C=C/c1cccs1)c1ccccc1 3224117 ULFYZOXPTBJQSI-MDZDMXLPSA-N 340.404 3.251 30 40 EGEB O=C1Nc2ccccc2/C1=N\Nc1ncnc2c1oc1ccccc12 100707439 WZHRWDGZEVDWLS-UHFFFAOYSA-N 329.319 3.144 30 40 EGEB C[C@@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)Nc1ccccc1C#N 7472155 YCZXSLYCDQHIHE-GFCCVEGCSA-N 349.419 3.463 30 40 EGEB COc1ccc([C@@H]2Nc3nonc3NC3=C2C(=O)CC(C)(C)C3)cc1 12408711 IMJBNIWEJHIGLE-HNNXBMFYSA-N 340.383 3.300 30 40 EGEB O=[N+]([O-])c1ccc(/N=C(/Cl)c2cc(N3CCOCC3)ccn2)cc1 104087253 SASAHXVPGHGQHJ-KNTRCKAVSA-N 346.774 3.144 30 40 EGEB Cc1cnc2c(S(=O)(=O)Oc3ccc(CC#N)cc3)cccc2c1 12588892 IGGYNYPYXSSQFO-UHFFFAOYSA-N 338.388 3.377 30 40 EGEB COc1cccc(/C=N/N=c2/scc(-c3cccc(O)c3)n2C)c1 4475494 ZKYNWXPZPITZCX-DSTXHIGZSA-N 339.420 3.403 30 40 EGEB C[C@H]1CN(C(=O)COc2cccc(F)c2)/C(=N/c2cccnc2)S1 65587755 QRRDLHIXDMNPLO-SJKAGUJJSA-N 345.399 3.251 30 40 EGEB N#Cc1ccc(C(=O)Nc2nc(CN3CCCCC3)cs2)cc1 14136925 SPLHMNVQTDLRPX-UHFFFAOYSA-N 326.425 3.253 30 40 EGEB C#CCNC(=O)CSc1ncc(-c2ccccc2)n1CC(C)C 19241406 PAKAZXHIIVURJX-UHFFFAOYSA-N 327.453 3.048 30 40 EGEB CC(C)N1/C(=C\c2cccc(O)c2)C(=O)c2ccccc2S1(=O)=O 9486052 HJAVVRMSRLANAL-WJDWOHSUSA-N 343.404 3.029 30 40 EGEB N#CCN1CCC2(CC1)Nc1ccccc1C(=O)N2c1ccccc1 72275143 AJIGYOZRKGKJCV-UHFFFAOYSA-N 332.407 3.075 30 40 EGEB COC(=O)N(C)c1ccc(Nc2c(C#N)nnc3ccccc23)cc1 77193230 CUNYVCHNRHEPHZ-UHFFFAOYSA-N 333.351 3.448 30 40 EGEB N#C[C@H](NC(=O)C[C@@](O)(c1ccccc1)C1CC1)c1ccccc1F 95442809 CPANQALHQYNYCW-AZUAARDMSA-N 338.382 3.194 30 40 EGEB CCC(CC)[C@H]1C[C@H](NC(=O)NCc2ccc(C#N)cc2F)CCO1 181908094 FSMITZSYFPQUNS-SJLPKXTDSA-N 347.434 3.480 30 40 EGEB N#Cc1c(F)cccc1-n1ccc(=NC(=O)NCC2CCCCC2)[nH]1 513102785 NVIDQZCZKAWWSY-UHFFFAOYSA-N 341.390 3.007 30 40 EGEB Cc1cccc2c(NCC(C)(C)CCS(C)(=O)=O)c(C#N)cnc12 96429544 BDKTVLMVPQFUQC-UHFFFAOYSA-N 345.468 3.288 30 40 EGEB C[C@H](/C(O)=N/S(=O)(=O)Cc1cc(-c2ccccc2)no1)C1CC1 95407450 XUJRYZOVZREOPJ-NSHDSACASA-N 334.397 3.174 30 40 EGEB CCc1cccc(NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)c1 66239660 XZGYGHKMFVOUTL-UHFFFAOYSA-N 331.379 3.141 30 40 EGEB Oc1ccccc1/C=N\N1CCN(Cc2ccccc2Cl)CC1 13897275 ARDWODGNHLSJCV-MOSHPQCFSA-N 329.831 3.197 30 40 EGEB N#Cc1ccc(N2CCC(COc3ccncc3Cl)CC2)nc1 1889096822 CHRPHHLXAJVWQS-UHFFFAOYSA-N 328.803 3.297 30 40 EGEB CCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1cc(C#N)ccc1F 69668098 HVUCDJXROPRAQT-ZWKOTPCHSA-N 329.419 3.063 30 40 EGEB Cn1c(N)c(C#N)s/c1=N/C(=N/c1ccccc1)c1ccccc1 102478892 VXIWLZMQNOEGQR-KSTNYAOJSA-N 333.420 3.220 30 40 EGEB N#Cc1ccc(COC(=O)CC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)cc1 104176033 DUUKOCSIVGOGDM-NXMBOHNASA-N 325.408 3.323 30 40 EGEB Cn1c([C@@H](C#N)C(=O)COc2ccc(Cl)cc2)nc2ccccc21 12575623 JOTIMNYSOZQGJW-AWEZNQCLSA-N 339.782 3.482 30 40 EGEB C=C(C)Cn1c2c(c(=O)[nH]c1=S)CN([C@@H](C)c1ccccc1)CN2 20567558 HHADENGWRXKHNL-ZDUSSCGKSA-N 342.468 3.428 30 40 EGEB CCCN(CC#N)C(=O)CCc1ncc(-c2ccc(OC)cc2)o1 58258623 NWLJWYYBGDSGQM-UHFFFAOYSA-N 327.384 3.045 30 40 EGEB N#Cc1ccsc1NC(=O)CSc1nnc(-c2ccccc2)o1 3274997 BIYVBNPOPVSCAJ-UHFFFAOYSA-N 342.405 3.401 30 40 EGEB N#CCN(Cc1nc(-c2cc(Br)cs2)no1)C1CC1 58431764 WWAQCGGJGGEKKT-UHFFFAOYSA-N 339.218 3.049 30 40 EGEB N#Cc1cccc(C(=O)c2ccccc2I)c1 2392632 GKGKJRXNVLJUFP-UHFFFAOYSA-N 333.128 3.394 30 40 EGEB COc1cc(/C=C/C(=O)N[C@H](C)c2ccccc2)ccc1OCC#N 3361504 VHTPMJZXZRZYDJ-SLZMIMFISA-N 336.391 3.488 30 40 EGEB C[C@@H](Sc1ccc2c(c1)OCCO2)C(=O)Nc1ccccc1C#N 3489504 OMFHDJQUAOABLC-GFCCVEGCSA-N 340.404 3.449 30 40 EGEB Cc1ccc(O)c([C@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]nc(O)c32)c1 18195587 MVADLTRLYGCRIR-AWEZNQCLSA-N 339.395 3.330 30 40 EGEB N#Cc1ccc(C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)cc1 7652103 PBUKAHLPPIGNAO-UHFFFAOYSA-N 348.280 3.373 30 40 EGEB CCOc1c(OC)cc(/C=C2/CCc3c(cnn3C)C2=O)cc1OC 96189827 CLAWQLBXUVGMOG-JYRVWZFOSA-N 342.395 3.049 30 40 EGEB CC(C)(C)OC(=O)N[C@@H]1CCCN(c2ncc(C#N)cc2Cl)C1 95959765 LGSQEVCEAXTFOO-GFCCVEGCSA-N 336.823 3.100 30 40 EGEB CCCCCCCCCCNC(=O)C(=O)NCCCOC(C)C 408707986 UMJCYAOFQDNNNP-UHFFFAOYSA-N 328.497 3.175 30 40 EGEB Fc1cc(/C=N\c2ccc3c(c2)OCO3)ccc1N1CCOCC1 409125470 ALHVLEQJNWGHOB-JAIQZWGSSA-N 328.343 3.142 30 40 EGEB N#Cc1nn(-c2ccccc2F)nc1N1CC[C@@H](c2ccccc2)C1 256047531 MZIUZUCFFLBYPD-OAHLLOKOSA-N 333.370 3.272 30 40 EGEB Cc1cc(N2CCC(C(=O)Nc3ccc(F)cc3)CC2)ncc1C#N 1611912610 UYWDLKNNOSPMTR-UHFFFAOYSA-N 338.386 3.256 30 40 EGEB CC(=O)NC1=C(c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O 5378192 MAANRNHLLALSKJ-UHFFFAOYSA-N 325.751 3.266 30 40 EGEB Cc1sc(NC(=S)NC(=O)Cc2ccccc2)c(C#N)c1C 14257831 MQVDZNOCIZCIST-UHFFFAOYSA-N 329.450 3.292 30 40 EGEB C[C@@H](Sc1ncc(C#N)c(N)n1)C(=O)Nc1cccc2ccccc12 421743 BDTFKHPSXXQCKD-LLVKDONJSA-N 349.419 3.203 30 40 EGEB C=CCn1c(SCCC)nc2sc3c(c2c1=O)CCN(C)C3 20813793 WIONVPMPVVPQDT-UHFFFAOYSA-N 335.498 3.134 30 40 EGEB N#Cc1ccc(NCc2cccc(NC(=O)c3ccncc3)c2)nc1 54836897 PSURFPZROCIPMR-UHFFFAOYSA-N 329.363 3.213 30 40 EGEB N#Cc1ccccc1NC(=O)COC(=O)Cc1cccc2ccccc12 3226800 FRYAEPUUTOTJER-UHFFFAOYSA-N 344.370 3.436 30 40 EGEB CN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C1(C#N)CCC1 96009659 KVVZJFZKWJAZSC-UHFFFAOYSA-N 339.804 3.245 30 40 EGEB C=C(C)CN1CCC(NC(=O)[C@H](C)Oc2ccc(SC)cc2)CC1 76994661 NSPSCUFMSIEVIX-HNNXBMFYSA-N 348.512 3.333 30 40 EGEB N#CCN(C(=O)c1cc(Br)ccc1F)C1CCCC1 78003025 OQXZEJMTVFOSGL-UHFFFAOYSA-N 325.181 3.497 30 40 EGEB N#CCC[C@@H](C#N)CN1CCC[C@H](c2cc(C(F)(F)F)[nH]n2)C1 78901044 OJAREHRCAZBJIS-RYUDHWBXSA-N 325.338 3.051 30 40 EGEB N#Cc1ccc(NC(=O)N2CCC(COc3ccccn3)CC2)cc1 85357859 VYCHWEHKJLUFTG-UHFFFAOYSA-N 336.395 3.276 30 40 EGEB C=CCOc1ccc(CNC[C@H](O)c2ccccc2)cc1OCC 22075895 DYWAXIKWPJXWNH-SFHVURJKSA-N 327.424 3.473 30 40 EGEB COC(=O)c1ccc(C(=O)OC)c(/N=C/c2cc(Cl)ccc2O)c1 44835779 MTKVAILQTQDNQB-DJKKODMXSA-N 347.754 3.369 30 40 EGEB CCO[C@H]1Oc2ccccc2C(=O)/C1=C/Nc1ccc(C(=O)O)cc1 19144713 YBJQSGSYCDFEEH-HVEPWOEZSA-N 339.347 3.319 30 40 EGEB C=C(C)CNC(=O)Nc1cc(OC)c(Br)c(OC)c1 157733564 WAPQSORWKAAXGT-UHFFFAOYSA-N 329.194 3.164 30 40 EGEB C=C(C)CNC(=O)Nc1cc(OC)c(OC)cc1Br 156845832 JCUBQNWEGMPRHJ-UHFFFAOYSA-N 329.194 3.164 30 40 EGEB O[C@H](CNCc1ccco1)CON=C1c2ccccc2-c2ccccc21 2707493 ZXWOIOGJZLOLLO-OAHLLOKOSA-N 348.402 3.180 30 40 EGEB C[C@H](Sc1nc(C2CC2)n[nH]1)C(=O)Nc1ccc(C#N)c(Cl)c1 11571871 QCPOEGHVIRGVRU-QMMMGPOBSA-N 347.831 3.326 30 40 EGEB C=CCNC(=S)Nc1c(C(=O)OCC)[nH]c2ccc(Cl)cc12 2322114 DUORBEKBTZCILA-UHFFFAOYSA-N 337.832 3.470 30 40 EGEB COc1cc(/C=N/c2nc3ccccc3n2C)cc(OC)c1OC 4741698 FEQTYGXNRMWZJP-YBFXNURJSA-N 325.368 3.350 30 40 EGEB CC(C)c1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nnnn32)cc1 9260907 QKVKYDYLBMCZMJ-KRWDZBQOSA-N 337.427 3.455 30 40 EGEB O=C1COc2ccc(C(=O)/C=C/C3=Cc4ccccc4OC3)cc2N1 71855201 TVHARVOXUGXEHX-FNORWQNLSA-N 333.343 3.232 30 40 EGEB C[C@@H](OC[C@@H]1CCCCO1)C(=O)Nc1cc(C#N)cn1C(C)(C)C 78665240 JMFDTJMRJNEBPK-HIFRSBDPSA-N 333.432 3.027 30 40 EGEB CCCSCC(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1 72292289 BPHRMHCSXRPYQA-UHFFFAOYSA-N 328.441 3.443 30 40 EGEB N#CCn1cc(/C=N\NC(=S)Nc2ccccc2)c2ccccc21 409379768 ZHOKFRSKHCAEOD-NDENLUEZSA-N 333.420 3.485 30 40 EGEB CC(C)c1cc(C(=O)Nc2ccc(C#N)cc2)nc(N2CCCC2)n1 96192602 DUMUZDALAPXHSM-UHFFFAOYSA-N 335.411 3.324 30 40 EGEB N#C[C@@H](NC(=O)CCCn1ccnc1)c1ccc(Cl)c(Cl)c1 609460808 QTLHCDISUCEYDA-CQSZACIVSA-N 337.210 3.351 30 40 EGEB O=C1N/C(=N/c2ccccc2)S/C1=C\c1cccc([N+](=O)[O-])c1 1508680 HRVYDXQFNJHPGV-UVTDQMKNSA-N 325.349 3.486 30 40 EGEB COc1ccc(/C=N/c2cccc3c(=O)[nH][nH]c(=O)c23)c2ccccc12 100006801 RWHSKYOYQJWJBT-SRZZPIQSSA-N 345.358 3.129 30 40 EGEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc2c(c1)OCCO2 7666784 MZVJYIUXKPSOOD-UHFFFAOYSA-N 349.346 3.274 30 40 EGEB C=C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)c1ccc(C(F)(F)F)cc1 8299991 OOHPTNLYNSKWCG-DUVNUKRYSA-N 338.373 3.332 30 40 EGEB biogenic,in-vitro C[C@H](Nc1ncc(C#N)cc1Cl)c1ccc(S(C)(=O)=O)cc1 58342332 PESBSLJNCOMIPU-JTQLQIEISA-N 335.816 3.183 30 40 EGEB N#Cc1c(Cn2nnc(-c3ccc(Cl)cc3)n2)cn2ccccc12 12897546 RASGQWBRGPCRPB-UHFFFAOYSA-N 334.770 3.166 30 40 EGEB N#Cc1ccccc1S(=O)(=O)Nc1cccc(Br)c1 3452009 ZWAHCMKODZBRPY-UHFFFAOYSA-N 337.198 3.122 30 40 EGEB C=CCOc1ccc(/C=C2\SC(=S)N(CC)C2=O)cc1OC 3765771 CHKMLALALLFCAR-UVTDQMKNSA-N 335.450 3.481 30 40 EGEB O=C(/C=C/c1ccc(C(=O)N2CCOCC2)cc1)c1ccc(F)cc1 4107332 WPTVYLJSFUQEDK-XCVCLJGOSA-N 339.366 3.194 30 40 EGEB COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H]2CCCO2)cc1 69421232 IVWUSQUCODOIKF-QGZVFWFLSA-N 338.363 3.477 30 40 EGEB C[C@@]1(/N=C(\S)Nc2ccc3ccccc3c2)CCS(=O)(=O)C1 13865090 PBYDVOJPMHDHHT-MRXNPFEDSA-N 334.466 3.115 30 40 EGEB C=CCSc1nnc2n(Cc3ccccc3)c(=O)c3ccccc3n12 5230915 QRGBMNADIWFLAI-UHFFFAOYSA-N 348.431 3.371 30 40 EGEB CCCC[C@H](Oc1ccc(C#N)cc1OC)C(=O)Nc1cc(C)on1 14086367 XMSGCAXOIZKTLV-HNNXBMFYSA-N 343.383 3.440 30 40 EGEB N#Cc1ccc(CNC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccccc2)cc1 78951720 TYMZPVCWAYYHJV-WOJBJXKFSA-N 349.434 3.356 30 40 EGEB CC(C)(C)CS(=O)(=O)/N=C(\O)[C@H]1C[C@@H]1c1cc(F)ccc1F 96442095 WHBSLVNZGRXAHZ-PWSUYJOCSA-N 331.384 3.401 30 40 EGEB Cc1cc(S(=O)(=O)/N=C(\O)CCC(F)(F)F)c(F)cc1F 96461321 RECJVBIFPPCBMB-UHFFFAOYSA-N 331.262 3.261 30 40 EGEB COc1cccc(CN2CCC(COc3cc(C#N)ccn3)CC2)c1 1849128550 LTRZFBCFJRABKM-UHFFFAOYSA-N 337.423 3.253 30 40 EGEB CCCCC[C@@H](CC)N1CC(=O)C(c2nc3ccccc3[nH]2)=C1N 11692125 ZATDHOHBRREYOW-CYBMUJFWSA-N 326.444 3.434 30 40 EGEB N#Cc1ccccc1N1CCCN(c2snc(Cl)c2C#N)CC1 52189487 VNGGLWICVAAISM-UHFFFAOYSA-N 343.843 3.257 30 40 EGEB C[C@H](Nc1cccc(F)c1C#N)c1ccc(S(=O)(=O)N(C)C)cc1 58245575 CAAKRYIZCKDQBV-LBPRGKRZSA-N 347.415 3.121 30 40 EGEB CC(C)OCCCNCc1cn(CCC#N)nc1-c1ccccc1 8235691 QENDOPCRBVRFOA-UHFFFAOYSA-N 326.444 3.368 30 40 EGEB C[C@H]1CN(Cc2ccccc2CNCc2cccc(C#N)c2)C[C@H](C)O1 48816757 QSLBYWONKSGKLV-ROUUACIJSA-N 349.478 3.457 30 40 EGEB CCc1nc(SCC(=O)N(CC)CC)c(C#N)c2c1CCCC2 4372121 RQIUCRHTOSEXSW-UHFFFAOYSA-N 331.485 3.355 30 40 EGEB C=CCN(C(=O)Cc1c(C)noc1C)c1nc2c(s1)CCCC2 14228883 BITBKOBZYPOLAO-UHFFFAOYSA-N 331.441 3.388 30 40 EGEB CN(CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccc(Cl)cc1Cl 6609932 WRONFDJUAWBUDN-MRXNPFEDSA-N 340.254 3.234 30 40 EGEB C=CCn1c(NC(=O)c2ccco2)c(C#N)c2nc3ccccc3nc21 4822109 LFXSVQMEYVWZHW-UHFFFAOYSA-N 343.346 3.487 30 40 EGEB Cc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(-c3ccccc3F)c2)c1 5862039 GGXWPRYBDDFEHT-UHFFFAOYSA-N 348.333 3.093 30 40 EGEB N#Cc1ccsc1NC(=O)CNc1ccc(Br)cc1 8720685 VFHRPVRVHXZESM-UHFFFAOYSA-N 336.214 3.433 30 40 EGEB C=CCOc1ccc(CN[C@@H]2CCN(C(C)=O)C[C@@H]2C)cc1Cl 89937469 CFTRNCPSBWIOAV-SUMWQHHRSA-N 336.863 3.251 30 40 EGEB N#Cc1cc(N2CCC[C@@H]3C[C@@H]32)cc(N2CCC[C@H]3C[C@@H]32)c1[N+](=O)[O-] 588066544 RIVVVJXJTNKDDO-OQUILHJVSA-N 338.411 3.444 30 40 EGEB N#Cc1cc(N2CC[C@@H]3C[C@@H]3C2)cc(N2CC[C@H]3C[C@@H]3C2)c1[N+](=O)[O-] 596509236 HLKVREIFYFQFAT-OCVGTWLNSA-N 338.411 3.159 30 40 EGEB CC(C)=NO[C@@H]1CCCC[C@@H]1OS(=O)(=O)c1ccc(C)cc1 5395421 OMUVFWCYEFCHGJ-CVEARBPZSA-N 325.430 3.424 30 40 EGEB Cc1ccc(OS(=O)(=O)c2ccccc2C#N)c2c1[C@H](C)CC2=O 10664333 LIKCZZQOCYQUOO-GFCCVEGCSA-N 341.388 3.324 30 40 EGEB C/C(=N\Nc1ncccn1)c1ccc(S(=O)(=O)C2CCCC2)cc1 46096833 CFYJYYWBCGEACR-DEDYPNTBSA-N 344.440 3.029 30 40 EGEB COc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)cc1 103504390 BHDPERDZAFOXOR-CYBMUJFWSA-N 328.755 3.310 30 40 EGEB CCOc1cccc(NC(=O)O[C@@H]2C[C@@H]3C[C@@H]2[C@H]2C[C@H]4O[C@@H]4[C@H]32)c1 101019078 TTWBJLXTVXWETO-HNNIUTJOSA-N 329.396 3.446 30 40 EGEB Cc1csc(N2CCCN(c3snc(Cl)c3C#N)CC2)n1 57148507 LYIVYCYQVBBYJI-UHFFFAOYSA-N 339.877 3.150 30 40 EGEB COc1cc(OC)c(NC(=O)COc2ccccc2C#N)cc1Cl 14716906 KQCGZWICPAKKFW-UHFFFAOYSA-N 346.770 3.246 30 40 EGEB CC(C)n1nnnc1CSc1ccc(C#N)c(C(F)(F)F)c1 96007250 CHPGPJWPVZXDRD-UHFFFAOYSA-N 327.335 3.437 30 40 EGEB COc1ccc(OC)c(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c1 409039112 WILKULHIKJUHCX-CGOBSMCZSA-N 348.218 3.418 30 40 EGEB Cc1cccc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)n1 97378641 IYHIVCOTEKOJFF-UHFFFAOYSA-N 336.395 3.337 30 40 EGEB C[C@H](CC1CCCC1)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 95939185 MUZKANIISIPJEJ-KBMXLJTQSA-N 349.475 3.078 30 40 EGEB C=CCNC(=O)c1ccccc1NC(=O)CCc1ccc(F)cc1 137311469 BANATFIQDROBFQ-UHFFFAOYSA-N 326.371 3.313 30 40 EGEB CCc1ccc([C@@H]2[C@@H](C=O)[C@H]2S(=O)(=O)c2ccc(C)cc2)cc1 242538982 JKOZAAVSJCUHMX-GUDVDZBRSA-N 328.433 3.312 30 40 EGEB N#Cc1ccnc(OC[C@@H]2CCCN(c3cc(C4CCC4)ncn3)C2)c1 1776007884 JXBSFGLEXXKIJP-MRXNPFEDSA-N 349.438 3.306 30 40 EGEB COc1ccc(C(=O)COc2ccc(C#N)cc2Cl)c(OC)c1 7856782 KCKKIDXDBKEWKE-UHFFFAOYSA-N 331.755 3.491 30 40 EGEB COc1cccc(N2CCN(c3snc(Cl)c3C#N)CC2)c1 51226768 ULKPHFIONHLBHR-UHFFFAOYSA-N 334.832 3.003 30 40 EGEB Cc1ccc2nc(C)cc(C(=O)[C@H](C#N)C(=O)Nc3ccccn3)c2c1 102051205 SBAOERMWQKDNFG-INIZCTEOSA-N 344.374 3.208 30 40 EGEB O=C(C[n+]1ccc(Cc2ccccc2)cc1)Nc1cccc([N+](=O)[O-])c1 2063946 NQNKRHIGFMVCEI-UHFFFAOYSA-O 348.382 3.112 30 40 EGEB COc1ccc(-c2nc(C#N)c(S(=O)(=O)c3ccccc3)o2)cc1 27663260 YITFSYAZAHMXCJ-UHFFFAOYSA-N 340.360 3.055 30 40 EGEB CN(C(=O)CCc1ncc(-c2ccc(F)cc2F)o1)C1(C#N)CCC1 58294461 RJRVTKPTRJUCRI-UHFFFAOYSA-N 345.349 3.457 30 40 EGEB COc1ccc(/C=C2\Oc3cc(OCC#N)ccc3C2=O)cc1OC 13759609 YGUYEXCHVRCDMZ-ZDLGFXPLSA-N 337.331 3.222 30 40 EGEB biogenic Cc1ccc(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)cc1C 14183654 QFLBTFXPZUFHCS-FQEVSTJZSA-N 333.435 3.326 30 40 EGEB Cc1nc2c(cnn2C(C)C)cc1C(=O)[C@H](C#N)c1ccc(F)cn1 97047366 UEHIHZVFOJZPJG-OAHLLOKOSA-N 337.358 3.345 30 40 EGEB Cc1ccc(N(CCC#N)C(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 97374747 ACKXCHDOBIUQGB-UHFFFAOYSA-N 325.324 3.169 30 40 EGEB CN(Cc1ccc2c(c1)OCCO2)Cc1cn2ccccc2c1C#N 73342414 KDSNWOYYAFSVEY-UHFFFAOYSA-N 333.391 3.214 30 40 EGEB CC(C)c1noc(CCCC(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)n1 48813603 VTFCQZDWPZEBCO-GFCCVEGCSA-N 337.383 3.268 30 40 EGEB CCc1c(C)sc(NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)c1C#N 68677547 AAGGINKCWSWPOO-CYBMUJFWSA-N 345.468 3.078 30 40 EGEB CS(=O)(=O)c1ccc2nc(/N=C(\O)Oc3ccccc3)sc2c1 145456 OUTIPPMKDARHOO-UHFFFAOYSA-N 348.405 3.324 30 40 EGEB Cc1cc(C)n(-c2ccccc2NC(=O)COc2ccccc2C#N)n1 31543687 IGASYWSGOSXISC-UHFFFAOYSA-N 346.390 3.378 30 40 EGEB Cc1ccc(C(=O)[C@H](C#N)C(=O)[C@@H]2COc3ccccc3C2)s1 100871547 IZZWLDZUOFBECB-UONOGXRCSA-N 325.389 3.199 30 40 EGEB COc1ccc([C@@H]2[C@@H](C(C)C)C(=O)CC(C#N)(C#N)C2(C#N)C#N)cc1 506979 ROFNYPZDFRHARM-ZWKOTPCHSA-N 346.390 3.091 30 40 EGEB CCCCCCCCCCCCN1C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]21 59568671 UWYUNUUSSXMTPS-CVEARBPZSA-N 344.521 3.098 30 40 EGEB C[C@@H](Sc1nc(C2CCCC2)n[nH]1)C(=O)Nc1ccc(C#N)cc1 12103933 INKRWFKUXNATGF-LLVKDONJSA-N 341.440 3.453 30 40 EGEB Cc1ccccc1OCCN1C(=O)/C(=N\O)c2cc(Cl)ccc21 101102010 ITORLMYTSMXSOQ-MNDPQUGUSA-N 330.771 3.252 30 40 EGEB CC(C)[C@@](C)(C#N)NC(=O)CNc1ccccc1SC[C@@H](C)C#N 69704050 RRZHBFJYTRZTOP-KBXCAEBGSA-N 344.484 3.405 30 40 EGEB COc1ccc(/C=C2\S/C(=N/c3ccccc3)NC2=O)cc1O 12630141 SQXSMLLCDWJNAC-GDNBJRDFSA-N 326.377 3.292 30 40 EGEB Cc1ccc(NC(=O)COC(=O)c2ccc(C#N)cc2F)cc1Cl 409210568 LMUKVINSKHNLDJ-UHFFFAOYSA-N 346.745 3.455 30 40 EGEB CC(C)c1noc([C@H](C)N2CCN(c3ccc(C#N)cc3F)CC2)n1 58328403 ICTSCUQKNXMZIS-ZDUSSCGKSA-N 343.406 3.087 30 40 EGEB O=C(CO/N=C/c1ccccc1OC(F)F)NC1CCCCC1 3319804 ZHLUAUXQGOXSGC-VXLYETTFSA-N 326.343 3.087 30 40 EGEB CC(C)(C)OC(=O)NC[C@@H]1CCCCN1Cc1ccccc1C#N 63515924 WROGARAQZAMZSX-KRWDZBQOSA-N 329.444 3.437 30 40 EGEB CCOc1cccc(C(=O)Nc2ncccc2OCCCC#N)c1 70011956 KQSAIYHMGGCMSY-UHFFFAOYSA-N 325.368 3.415 30 40 EGEB N#Cc1ccc(N2CC[C@@H](SC[C@H](O)c3ccccc3)C2=O)cc1 69308251 OBKVDALEOMNNSU-ZWKOTPCHSA-N 338.432 3.130 30 40 EGEB N#Cc1ccc(C(=O)N2CCN(c3ccccc3Cl)CC2)cc1 5392454 GLWKKWJKHFBKJR-UHFFFAOYSA-N 325.799 3.174 30 40 EGEB N#Cc1ccc(CN2CCC(C(=O)N3CCCCCC3)CC2)cc1 15033286 ZPQATCLPGJTPJO-UHFFFAOYSA-N 325.456 3.173 30 40 EGEB CCOc1cc2c(cc1/C=N\Nc1ccc([N+](=O)[O-])cc1)OCO2 409098438 LOUIMYWRPFEQFW-MFOYZWKCSA-N 329.312 3.168 30 40 EGEB C#CCN(Cc1ccco1)C(=O)N[C@H]1CCC[C@@H]1Oc1ccccc1 72281538 PLMJEBCNSFOWDC-OALUTQOASA-N 338.407 3.425 30 40 EGEB Cc1c(CN[C@H]2CCCc3c2cnn3C(C)(C)C)cc(C#N)n1C 72274477 PYFUVOMWCJIBQA-KRWDZBQOSA-N 325.460 3.324 30 40 EGEB N#Cc1nc(Cc2cccc3ccccc23)oc1N1CCC[C@@H](O)C1 72427580 DTOIYCUNKWUFJS-MRXNPFEDSA-N 333.391 3.251 30 40 EGEB N#CC1CN(C(=O)c2ccccc2SCc2cn3ccccc3n2)C1 590490605 KJFCYUATPLJOJC-UHFFFAOYSA-N 348.431 3.222 30 40 EGEB C=CCO[C@@H]1CCN(C(=O)CCc2ccc[nH]2)[C@H]1Cc1ccccc1 1565551064 JBBMHELNOQPNDI-VQTJNVASSA-N 338.451 3.362 30 40 EGEB COc1cc(/C=N/c2ccc(N(C)C(C)=O)cc2)cc(OC)c1OC 27600 QVGNDCBTEWXEDZ-UDWIEESQSA-N 342.395 3.446 30 40 EGEB C#CCn1/c(=N/C(=O)c2ccccc2OC)sc2cc(F)ccc21 100875408 LJSSSQBTPZTMMF-ZZEZOPTASA-N 340.379 3.225 30 40 EGEB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C(N)=S)[C@@H]2c1ccc(F)cc1 3073425 YGBCWPKQLADBBP-CYBMUJFWSA-N 346.427 3.039 30 40 EGEB N#Cc1ccc(NC(=O)COc2ncnc3ccccc23)cc1Cl 2636271 XZAQQHKMAZTPLI-UHFFFAOYSA-N 338.754 3.172 30 40 EGEB CCCc1ccc(NS(=O)(=O)c2cccc(C#N)c2)c(C(=O)O)c1 71977190 OHAPRZUAUSQDTP-UHFFFAOYSA-N 344.392 3.010 30 40 EGEB COc1ccc(/C=N/n2cnnc2)cc1COc1cccc(C)c1C 520788 SDDFHPKWQMHCMF-LSHDLFTRSA-N 336.395 3.365 30 40 EGEB C#Cc1cccc(NC(=O)C2=NN(c3cccc(C)c3)C(=O)CC2)c1 23009848 UBVQDVHFDAJEPA-UHFFFAOYSA-N 331.375 3.098 30 40 EGEB C=CCNc1nnc(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)s1 23938973 MGDNSQWOXWFRCZ-QWRGUYRKSA-N 326.491 3.018 30 40 EGEB N#Cc1ccccc1CN(CCCn1ccnc1)Cc1cccnc1 55036780 KESBGLGDWFSRAR-UHFFFAOYSA-N 331.423 3.242 30 40 EGEB COc1ccc([C@H]2CC(=O)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)cc1 1432861 OIMDJDUMMGVEJC-OAHLLOKOSA-N 342.439 3.131 30 40 EGEB CCOC(=O)C1=C(C)Nc2ccccc2N=C1/N=C(\O)[C@@H]1CCCO1 69341499 SCBMCAFINFCVDK-AWEZNQCLSA-N 343.383 3.115 30 40 EGEB CCN(CC)c1ccc(/C=N/Nc2ccc([N+](=O)[O-])cn2)c(OC)c1 4047976 LFTSCURAEKHGAB-YBFXNURJSA-N 343.387 3.291 30 40 EGEB C[C@H](OC(=O)c1cc2c(s1)CCC2)C(=O)Nc1cccc(C#N)c1 5308395 JQIRFPMJBCLVMN-NSHDSACASA-N 340.404 3.292 30 40 EGEB N#Cc1ccccc1N1CCC(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 72293137 LGIPDFBRHGJMGN-WOJBJXKFSA-N 345.446 3.447 30 40 EGEB N#Cc1ccc(S(=O)(=O)N(CC2CC2)c2cccnc2)c(Cl)c1 97054199 ZMESIPPRBOMPRJ-UHFFFAOYSA-N 347.827 3.212 30 40 EGEB CC/N=C(/NCCc1ccc(NC(C)=O)cc1)NCc1cccs1 73657587 YNCJTMHNMFBMPU-UHFFFAOYSA-N 344.484 3.004 30 40 EGEB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1ccc(Cl)cc1Cl 408719465 MOXSPELNDHURPV-XMERDZJFSA-N 335.190 3.134 30 40 EGEB C[C@H]1CCc2c(C(=O)N=c3[nH][nH]c(C4CC4)c3C#N)csc2C1 516504508 CYSYFKCQBZYIRQ-VIFPVBQESA-N 326.425 3.019 30 40 EGEB N#Cc1ccc(NCCc2nc(-c3cccc(Cl)c3)no2)nc1 79353970 SJJRCEOMGGUUAE-UHFFFAOYSA-N 325.759 3.311 30 40 EGEB CCN(c1ccc(CC#N)cc1)S(=O)(=O)c1ccc(OC)c(C)c1 224647638 IXIXSMNAMDZRJB-UHFFFAOYSA-N 344.436 3.285 30 40 EGEB Cc1csc(=O)n1CCSc1nc2c(cc1C#N)CCCC2 96995058 ZRPVTSFMAMLDMB-UHFFFAOYSA-N 331.466 3.156 30 40 EGEB CC(C)N(C)Cc1cnc2n1CCN(Cc1cccc(C#N)c1)[C@H]2C 96201209 SVIQJRUIOUKZLX-INIZCTEOSA-N 337.471 3.172 30 40 EGEB COC(=O)c1oc2cc(C#N)c(C#N)cc2c1C(=O)c1cccs1 66089281 JQGALIXMJJSQJJ-UHFFFAOYSA-N 336.328 3.255 30 40 EGEB Cc1nc(CN2CCC[C@@H](COc3cc(C#N)ccn3)C2)cs1 1776001290 JSTFDLQTVCOMCR-OAHLLOKOSA-N 328.441 3.009 30 40 EGEB Cc1[nH]c(NC(=O)CSc2nc3ccccc3[nH]2)c(C#N)c1C 12372031 IHNLSCOVOMWSSH-UHFFFAOYSA-N 325.397 3.110 30 40 EGEB C=CCOc1ccc(/C=C/C(=O)N2CCC[C@@H](C(=O)OCC)C2)cc1 40160566 HLLXTXPJJTVUPK-XLNAKTSKSA-N 343.423 3.066 30 40 EGEB Cc1cc[n+](CC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 1882108 QRHYLEVWFHPBLF-UHFFFAOYSA-O 331.395 3.418 30 40 EGEB CNc1ccc(/C=C2/S/C(=N\C3CCCC3)NC2=O)cc1[N+](=O)[O-] 6621459 VHRFXGTUBCWAMW-NTEUORMPSA-N 346.412 3.139 30 40 EGEB O=C(/C=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccccc1 113853927 GYORFCUJPOGBPL-VQHVLOKHSA-N 338.363 3.328 30 40 EGEB COc1ccc(S[C@H](C)C(=O)Nc2cc(C)nn2CCC#N)cc1 58289213 CSZRWASPJWTDGW-CYBMUJFWSA-N 344.440 3.233 30 40 EGEB COCCN(Cc1ccccc1)C(=O)[C@@H](C)Oc1ccc(C#N)cc1 36185143 JSOHBHZWVRZSOJ-MRXNPFEDSA-N 338.407 3.001 30 40 EGEB N#Cc1ccc(NC(=O)N(Cc2cccnc2)C[C@H]2CCCO2)cc1 48051700 QDKQSHLESQNKDM-GOSISDBHSA-N 336.395 3.166 30 40 EGEB CC(C)(C)Nc1nc(N/N=C/c2cccnc2)nc(NC(C)(C)C)n1 4592265 IIYBFDYZYZDTPY-YBFXNURJSA-N 342.451 3.133 30 40 EGEB N#Cc1ccc(CN(c2ccncc2)S(=O)(=O)c2ccccc2)cc1 6831681 RRGJHMKPFZHLRO-UHFFFAOYSA-N 349.415 3.349 30 40 EGEB N#CCCN(C(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1F 7169086 KSXDMEDTGQAMPH-UHFFFAOYSA-N 343.314 3.060 30 40 EGEB N#Cc1ccc(CN2CCC[C@@H](c3noc(C4CC4)n3)C2)c(F)c1 72299968 BEKBVSVYQKRJQE-OAHLLOKOSA-N 326.375 3.337 30 40 EGEB Cc1ccc(-c2n[nH]c(/N=C(\O)c3cc(-c4cccnc4)on3)n2)o1 95418909 DDKVSILCDGBFQI-UHFFFAOYSA-N 336.311 3.059 30 40 EGEB CN(C)Cc1cc(C(=O)/C=C\c2ccccc2)cc(CN(C)C)c1O 31870591 CCNAPNBLWBUEDH-KHPPLWFESA-N 338.451 3.412 30 40 EGEB N#Cc1cc(N)c(N2CCN(c3ccccc3)CC2)n1C1CCCC1 225870234 BTJFPLJYDLSERV-UHFFFAOYSA-N 335.455 3.384 30 40 EGEB C[C@H](COc1ccccc1C(F)(F)F)/N=C(/O)N1CCCCO1 328720625 WHFUDWVHPMWQAB-LLVKDONJSA-N 332.322 3.414 30 40 EGEB Cc1cc(C)n2nc(C)c(C(=O)Nc3ccc(C#N)c(Cl)c3)c2n1 68647144 GMYIRKSZTKYBBL-UHFFFAOYSA-N 339.786 3.432 30 40 EGEB COC(=O)c1ccc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)cc1 100280359 YUVWUDYOCLALBQ-FYJGNVAPSA-N 349.390 3.022 30 40 EGEB CC(=O)Nc1cccc(/N=C2\NN=C(c3cc(C)[nH]c3C)CS2)c1 26144057 ZBTOWYUEEDKXRC-UHFFFAOYSA-N 341.440 3.318 30 40 EGEB N#Cc1ccc(S(=O)(=O)N2CCc3sc(Cl)cc3C2)cc1 618256883 YEDHQOUHAPWDIC-UHFFFAOYSA-N 338.841 3.020 30 40 EGEB CC(=O)Oc1ccc2c(c1)[C@H]1c3ccccc3[C@@H]2[C@H]2C(=O)C=CC(=O)[C@H]12 4697447 JSOZWJZOWBXDAX-DXBBTUNJSA-N 344.366 3.143 30 40 EGEB C#CC[C@@H](OC(=O)c1cccc(NC(=O)NC2CC2)c1)c1ccccn1 68594098 LPCRBIOPUIBQTR-GOSISDBHSA-N 349.390 3.287 30 40 EGEB Cc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C#N)c1C 3087676 HXEAXLLWMGATOL-UHFFFAOYSA-N 346.324 3.305 30 40 EGEB N#Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 1098614 BQUARQVQBYSCGT-CYBMUJFWSA-N 339.782 3.203 30 40 EGEB N#Cc1ccc(OCC(=O)Nc2cccc3nsnc23)c(Cl)c1 19106657 QOEPUGVRIKQREF-UHFFFAOYSA-N 344.783 3.234 30 40 EGEB N#Cc1cccc(-c2nc([C@@H]3CC(=O)N(Cc4ccccc4)C3)no2)c1 44425230 RRYXKLXNVHXMIT-QGZVFWFLSA-N 344.374 3.124 30 40 EGEB Cc1ccc(S(=O)(=O)Nc2nc(C)c(SCC#N)s2)cc1 66253613 IMJKNMXUEGDUJQ-UHFFFAOYSA-N 339.467 3.176 30 40 EGEB N#Cc1ccc(C(=O)Nc2ccc(I)cc2)cc1 5637568 ZQWZIKUJYGJPGR-UHFFFAOYSA-N 348.143 3.415 30 40 EGEB Cn1c(-c2ccccc2)c(/N=C2\C(O)=Nc3ccccc32)c(=O)n1C 5730868 QQMZXWPXEOLBIN-UHFFFAOYSA-N 332.363 3.113 30 40 EGEB Cc1c([C@@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)cc(C#N)n1C 7113460 UONKTQLSHAUTGL-OAHLLOKOSA-N 348.328 3.334 30 40 EGEB Cc1nnc(SCC(=O)N(C)[C@H]2CCCC[C@H]2C)c(C#N)c1C 97080562 VYLGSWZIHXMOJV-ABAIWWIYSA-N 332.473 3.094 30 40 EGEB CCc1nnc(S)n1/N=C/c1ccc(COc2ccccc2)o1 36611478 PJQBBJLQGJLDGC-LICLKQGHSA-N 328.397 3.183 30 40 EGEB C=C(Br)CNC(=O)Nc1cccc(NC(=O)CC)c1 49300364 BQZQVKQMBRIPKA-UHFFFAOYSA-N 326.194 3.065 30 40 EGEB N#Cc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)C2CC2)cc1 12614720 UOSKOQPBCSSURP-UHFFFAOYSA-N 330.384 3.051 30 40 EGEB Cc1cc(N2CCC[C@@H](COc3cc(C#N)ccn3)C2)nc(C2CC2)n1 1776007704 AGTGGQSWVVDZSL-MRXNPFEDSA-N 349.438 3.225 30 40 EGEB C#Cc1cccc(NC(=O)c2ccc(CNC(=O)NC(C)C)cc2)c1 40488662 XUYWLGUOPUHKOL-UHFFFAOYSA-N 335.407 3.128 30 40 EGEB COC(=O)c1ccccc1Sc1nc2sccn2c1/C=N\O 100926005 KFTJKVYLDYQBGJ-NVNXTCNLSA-N 333.394 3.142 30 40 EGEB CCOC(=O)COc1cccc(/C=N/NCc2ccc(Cl)cc2)c1 10119031 DHICGMDRJNXERJ-CIAFOILYSA-N 346.814 3.406 30 40 EGEB C[C@H]1CCC[C@H](N2CNC(=Nc3nc4ccccc4o3)NC2)[C@@H]1C 9015937 LQXFYMSTKVYQHS-GUTXKFCHSA-N 327.432 3.050 30 40 EGEB CCCN(CCC)c1nc2ccccc2nc1[C@H](C#N)C(=O)OC 548270 CGHAQWBHLAFCHN-ZDUSSCGKSA-N 326.400 3.036 30 40 EGEB CCO[C@H](CC)C(=O)[C@H](C#N)C(=O)Nc1ccccc1C(F)(F)F 103633282 CIMAQCRPKRHOJQ-GXFFZTMASA-N 342.317 3.168 30 40 EGEB CCc1cc2c(N3CCc4c(sc(N)c4C#N)C3)ncnc2s1 24059938 JHQKJDSXBJXOPS-UHFFFAOYSA-N 341.465 3.332 30 40 EGEB CN(CCOc1cccc(Cl)c1)C(=O)COc1ccc(C#N)cc1 14197811 LHJNGXFEZQZURQ-UHFFFAOYSA-N 344.798 3.128 30 40 EGEB N#C[C@@H](C1=NS(=O)(=O)c2ccccc21)c1ccc2ccccc2n1 5572523 FFYQVUYTJFSVCA-CQSZACIVSA-N 333.372 3.034 30 40 EGEB CCN(C(=O)c1sccc1C#N)c1ccccc1S(=O)(=O)CC 89977061 UVLYRYMCTGZPAN-UHFFFAOYSA-N 348.449 3.080 30 40 EGEB CNC(=O)Nc1ccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)cc1 95991753 CSSGNYGZNLOVIN-UHFFFAOYSA-N 334.379 3.245 30 40 EGEB COc1ccc(COc2nn(Cc3cccc(C)c3)c(N)c2C#N)cc1 225845531 RYJTVJVTYJHZAR-UHFFFAOYSA-N 348.406 3.281 30 40 EGEB C=CCOc1ccc(N(C)S(=O)(=O)c2ccc(OC)c(C)c2)cc1 224659843 RICFSXCGHBMUKO-UHFFFAOYSA-N 347.436 3.394 30 40 EGEB COc1ccccc1C[C@@H](/C(O)=N/c1ccccc1C)c1nnn[nH]1 82095030 HHMZUKNPWKNGPA-CQSZACIVSA-N 337.383 3.131 30 40 EGEB CN(c1cccc2ncccc12)S(=O)(=O)Cc1ccc(C#N)cc1 95988779 TVWMHZKFJHLHOY-UHFFFAOYSA-N 337.404 3.073 30 40 EGEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCO[C@H]2CCCC[C@H]21 40553898 VLWCUMZUKGLFLP-CVEARBPZSA-N 339.395 3.034 30 40 EGEB C=CCc1cc(OC)ccc1OC[C@@H](O)CN(C)C1CCCCC1 6001485 FNLNXWNQBHTRON-SFHVURJKSA-N 333.472 3.428 30 40 EGEB C[C@H](CC(=O)[C@H](C#N)C(=O)Nc1ccccn1)c1ccc(F)cc1 103717471 PNMKKOHWQDTUTQ-DOMZBBRYSA-N 325.343 3.062 30 40 EGEB O/N=C1/CCC[C@@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 100977213 UEFYMYUOLITXNW-CPOQMQJTSA-N 327.350 3.210 30 40 EGEB C=CCn1c(SCc2nc(-c3ccco3)no2)nnc1C1CC1 44092795 XTQAUKRWFSBBSQ-UHFFFAOYSA-N 329.385 3.277 30 40 EGEB N#Cc1cnc2ccccc2c1N1CCC(c2nncn2C2CC2)CC1 91483693 KYFKRYJGUYYIBC-UHFFFAOYSA-N 344.422 3.417 30 40 EGEB Cc1ccc([C@H](NCC(=O)NCC#N)c2ccc(F)cc2Cl)cc1 84148706 RWJYKASGGYLFGC-SFHVURJKSA-N 345.805 3.106 30 40 EGEB COc1cccc(F)c1[C@H](C)NC(=O)NCc1ccc(C#N)cc1F 76088675 ZOYYUCBDNNIEHO-NSHDSACASA-N 345.349 3.405 30 40 EGEB Cc1n[nH]c(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)n1 95953381 QDINVTLGNMXMPW-SNVBAGLBSA-N 347.469 3.238 30 40 EGEB N#Cc1cc(Br)cnc1N1CCC[C@@H]1[C@H]1CCCOC1 567768428 NFUVRRJQBQOWHD-SMDDNHRTSA-N 336.233 3.111 30 40 EGEB C=CCCCS(=O)(=O)Nc1ccc(N=S2(=O)CCCC2)cc1 585129729 UCWRAQMKKCWDQN-UHFFFAOYSA-N 342.486 3.288 30 40 EGEB C/C(=N\C[C@@H](C)/N=C(\C)c1ccc(O)cc1O)c1ccc(O)cc1O 255188294 JHVSXISINWTVMO-MJWTYTAWSA-N 342.395 3.216 30 40 EGEB N#Cc1cc(N2CCO[C@@H](c3ccc(Br)cc3)C2)ccn1 252484450 FWOLLZKPJNKYBY-MRXNPFEDSA-N 344.212 3.294 30 40 EGEB N#Cc1cn(CC(=O)NCCc2c[nH]c3ccccc23)c2ccccc12 29027 PZRZOAZHORPBAJ-UHFFFAOYSA-N 342.402 3.353 30 40 EGEB biogenic,in-vitro CC(C)[C@](C)(C#N)NC(=O)Cn1c(C(F)(F)F)nc2ccccc21 29299972 HWNIODJCJZVKOH-HNNXBMFYSA-N 338.333 3.110 30 40 EGEB Cc1ccc(Nc2nnc(SCC(=O)N(C)CCC#N)s2)cc1 6821489 NSHQYWMZEODZFP-UHFFFAOYSA-N 347.469 3.054 30 40 EGEB CCOC(=O)N1CCC(=NNC(=S)Nc2c(C)cccc2C)CC1 7008005 NKGJDZFSMPHOPU-UHFFFAOYSA-N 348.472 3.198 30 40 EGEB N#C[C@@H](C(=O)NC1CCCCC1)C(=O)c1ccc(-c2cnco2)cc1 103691386 BNURKHWOPWYKKV-MRXNPFEDSA-N 337.379 3.113 30 40 EGEB C/N=C1/S/C(=C\c2cccn2-c2ccc(N(C)C)cc2)C(=O)N1C 1053774 YWPMJNTXXLSVGH-MPOVVXLQSA-N 340.452 3.075 30 40 EGEB N#Cc1cc(Cl)ccc1NCc1ccnc(N2CCOCC2)c1 58332219 KYHXTWMKARKDBO-UHFFFAOYSA-N 328.803 3.055 30 40 EGEB Cc1ccccc1/C=C/C(=O)c1ccc(S(=O)(=O)N(C)C)cc1 5155977 DYXNVCQBYFHOCA-JLHYYAGUSA-N 329.421 3.141 30 40 EGEB N#C[C@]1(NC(=O)/C=C(/c2ccccc2)C(F)(F)F)CCSC1 96294982 PDGXNFVDNKRSGH-ICDLMJIXSA-N 326.343 3.148 30 40 EGEB COc1ccccc1C1(CNCc2ccc(C#N)cc2)CCOCC1 71825392 ZUQGQPKVHWRNEO-UHFFFAOYSA-N 336.435 3.405 30 40 EGEB Cc1nnc(NC[C@H](O)c2ccccc2C(F)(F)F)c(C#N)c1C 71832794 QOHZMVNIOJILLD-AWEZNQCLSA-N 336.317 3.129 30 40 EGEB N#C[C@@H](C(=O)Nc1ccccc1)C(=O)c1coc(Br)c1 128203310 QJVZVMXHFLNXNX-LLVKDONJSA-N 333.141 3.003 30 40 EGEB CC(C)S(=O)(=O)/N=C(\O)[C@@H](C)Oc1ccccc1C(F)(F)F 96403597 PYJHLEFPGQNLGX-SECBINFHSA-N 339.335 3.167 30 40 EGEB COc1ccc2c(c1)C(=O)/C(=C/c1cnc(-c3cnccn3)s1)O2 584907880 YKRIXDRKBQWPSW-CHHVJCJISA-N 337.360 3.225 30 40 EGEB Cc1cccc(-n2nc(C#N)c(N3CC[C@@H](c4ccccc4)C3)n2)c1 256047111 KKKMCFTWTCRRCZ-QGZVFWFLSA-N 329.407 3.441 30 40 EGEB CC(=O)O/N=C\c1cccc(OCc2nc3ccccc3nc2C)c1 16265441 BMGDAICOTKJFMW-JAIQZWGSSA-N 335.363 3.414 30 40 EGEB C/C(=N\N=C\N(C)S(=O)(=O)c1ccc(C)cc1)c1ccccc1 16940067 YYILCYXIUSOBQQ-HQSZAHFGSA-N 329.425 3.068 30 40 EGEB N#Cc1ccc(C(=O)NCC2CCN(Cc3ccccc3)CC2)cc1 23127991 AOCFPSAIDQJHHG-UHFFFAOYSA-N 333.435 3.200 30 40 EGEB CCOC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1 4829437 UUMNFCINEMNNGB-FOWTUZBSSA-N 325.320 3.424 30 40 EGEB Cc1sc2ncn(/N=C/C3=Cc4ccccc4OC3)c(=O)c2c1C 54280017 CZWWXCGAKTWBGL-DNTJNYDQSA-N 337.404 3.385 30 40 EGEB CCCSc1nnc(SCC(=O)NC2(C#N)CCCC2)s1 7397696 BZTPPQBNFFJJFF-UHFFFAOYSA-N 342.515 3.085 30 40 EGEB N#CCCN(Cc1ccccn1)C(=O)Nc1cccc(-c2nnco2)c1 72314433 IVSIRCCTVOPTRT-UHFFFAOYSA-N 348.366 3.079 30 40 EGEB CN1CCC[C@H](C/N=C(/N)NC2CCCCC2)[C@@H]1c1cccs1 95963352 JYOLFIDLWONDII-RHSMWYFYSA-N 334.533 3.368 30 40 EGEB COc1cccc(/C=N\c2cccc([N+](=O)[O-])c2)c1O[C@H](C)C(=O)O 409231512 JNRXRUFCWVRQKT-IPHDDYSGSA-N 344.323 3.206 30 40 EGEB C=CCN1CCC(NC(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)CC1 188691913 ZWJIQEZVMFXLRZ-CQSZACIVSA-N 347.425 3.257 30 40 EGEB N#CCc1ccc(NC(=O)c2cn3c4c(cccc4c2=O)CCC3)cc1 226093572 PLOJJGAFPNPBEL-UHFFFAOYSA-N 343.386 3.266 30 40 EGEB CC(C)CCc1c(N)cc(C#N)n1CC(=O)Nc1ccccc1F 225860073 BRHGWKYERGDBHV-UHFFFAOYSA-N 328.391 3.308 30 40 EGEB Cc1cccc2c(N(C)Cc3nnc4ccccn34)c(C#N)cnc12 96429340 GJXBBPFRNYUCMN-UHFFFAOYSA-N 328.379 3.094 30 40 EGEB COC(=O)CC(C)(C)CC(=O)Nc1nc2ccccc2cc1C#N 1615587606 NRSHTRWMOHJNKT-UHFFFAOYSA-N 325.368 3.024 30 40 EGEB C=CCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cccc(C)c1 13995755 ALGRCOGXEYPRPU-OAHLLOKOSA-N 338.407 3.317 30 40 EGEB C=CCn1c(=O)c(C(=O)Nc2ccccc2C)c(O)c2ccccc21 100498428 DBCRYXNHAAOSIN-UHFFFAOYSA-N 334.375 3.454 30 40 EGEB N=C(N/N=C\c1ccccc1Cl)N/N=C\c1ccccc1Cl 104392341 BFWGTYQTOSUAMS-QJUDHZBZSA-N 334.210 3.475 30 40 EGEB CCC[C@H]1CC(=O)C2=C(C1)Nc1nnnn1[C@@H]2c1ccc(Cl)cc1 6558856 PEBWERFCBZPHEM-QLJPJBMISA-N 343.818 3.375 30 40 EGEB C[C@@H]1CN(c2ccccc2NC(=O)N(CCC#N)C2CC2)C[C@@H](C)O1 71920217 TWWNFJLDEVKGQN-HUUCEWRRSA-N 342.443 3.210 30 40 EGEB COc1ccc([C@H](C#N)NC(=O)[C@@H](C)c2ccsc2)c(OC)c1 95399363 DUVURSUWJXNLTC-NHYWBVRUSA-N 330.409 3.250 30 40 EGEB Cc1ccc(S(=O)(=O)c2ccc(N/N=C/[C@@H]3CCOC3)cc2)cc1 95347467 GIGSHKJWTHWFAF-UZUMKDMXSA-N 344.436 3.262 30 40 EGEB N#C[C@H](NC(=O)CC1CCSCC1)c1cnn(-c2ccccc2)c1 95416910 PIHKQJJFSLYCNP-KRWDZBQOSA-N 340.452 3.086 30 40 EGEB C#Cc1cccc(NS(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)c1 75093583 YHGBNERKQGJADC-UHFFFAOYSA-N 348.811 3.081 30 40 EGEB CC[C@@H](C)Sc1nc(N)c(C#N)c(COc2cccc(OC)c2)n1 223692392 RGLSNNIMAWNSKS-LLVKDONJSA-N 344.440 3.409 30 40 EGEB N#C[C@H](NC(=O)CCCn1ccnc1)c1ccc(Cl)c(Cl)c1 609460807 QTLHCDISUCEYDA-AWEZNQCLSA-N 337.210 3.351 30 40 EGEB N#CC1(Cn2cc(Sc3ccc(CO)cc3)nn2)CCCCC1 600969994 QGXUSCBWUUNKDT-UHFFFAOYSA-N 328.441 3.396 30 40 EGEB Cc1nc(C/C(N)=N/OCc2coc(-c3ccc(F)cc3)n2)cs1 54390986 FZDFJKOXMPRLCE-UHFFFAOYSA-N 346.387 3.277 30 40 EGEB C=CCN(CC(F)(F)F)C(=O)[C@@H](C)c1ccc2c(c1)OCCO2 68672935 NYIFSLHHRVFCJZ-NSHDSACASA-N 329.318 3.138 30 40 EGEB N#Cc1cccc(NC(=O)[C@H]2CCCCN2C(=O)c2cccs2)c1 12864969 UGEJITXXRMGCAN-OAHLLOKOSA-N 339.420 3.253 30 40 EGEB C=CCc1c(C)[nH]c2c(-c3ccc(OC)c(OC)c3)c(C)nn2c1=O 9575955 XEDHPZAMACIOIO-UHFFFAOYSA-N 339.395 3.052 30 40 EGEB Cc1occc1C(=O)[C@H](C#N)C(=O)[C@@H](C)Oc1ccc(F)c(F)c1 103696771 PMOIMSMFUCVTBZ-ZWNOBZJWSA-N 333.290 3.225 30 40 EGEB C[C@@H](Sc1nc2ccccc2n1CCC#N)C(=O)NC1CCCC1 25044484 QRQXZCZSOJIBRD-CYBMUJFWSA-N 342.468 3.489 30 40 EGEB CCOc1ccc(N(CCC#N)C(=O)COc2ccc(C#N)cc2)cc1 65491302 OGAIHZDTLRLWRE-UHFFFAOYSA-N 349.390 3.283 30 40 EGEB C/N=C(/NC[C@H](c1ccc(OC)cc1)N1CCCC1)c1ccco1 71843638 MSTMCMKANNHNLI-QGZVFWFLSA-N 327.428 3.091 30 40 EGEB N#Cc1cccc(OCCNC2(c3ccc(F)cc3)CCOCC2)c1 71886842 NFHVDMQECJBUAV-UHFFFAOYSA-N 340.398 3.372 30 40 EGEB C=CCNC(=O)c1ccn(COc2cccc(Cl)c2Cl)n1 28236235 TUYFBFZBZNDEMI-UHFFFAOYSA-N 326.183 3.142 30 40 EGEB C=CCc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])cc(OCC)c1O 409100759 SBGOGWJFDLTILQ-YBFXNURJSA-N 342.355 3.269 30 40 EGEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1cccc2ccccc12 226346212 KCWQNWPQOBZSRR-SOVMNZCWSA-N 342.398 3.227 30 40 EGEB N#Cc1ccc(NCc2ccccc2CN2CCC(O)CC2)c(F)c1 96483043 RPKXJHFUXDUODN-UHFFFAOYSA-N 339.414 3.266 30 40 EGEB C=CCO[C@H]1CCN(C(=O)Cc2ccsc2)[C@H]1Cc1ccncc1 96200779 MMLXSPBRRKQNID-ROUUACIJSA-N 342.464 3.100 30 40 EGEB C=C(C)CN(CC)C(=O)[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 97230200 IMWRSYJNQZBBAC-HNNXBMFYSA-N 336.476 3.448 30 40 EGEB N#C[C@@H](NC(=O)c1cc(F)ccc1F)c1cnn(-c2ccccc2)c1 68399918 WDSFANRXIKLXIT-QGZVFWFLSA-N 338.317 3.145 30 40 EGEB N#Cc1cccc(C(=O)N2CCC(CSC3=NCCS3)CC2)c1 85472377 BEURHCXTPLKRJR-UHFFFAOYSA-N 345.493 3.246 30 40 EGEB N#Cc1cccc(C(=O)N(Cc2cccs2)C2CCOCC2)c1 207961833 RNJSTMIDCXDQGF-UHFFFAOYSA-N 326.421 3.441 30 40 EGEB N#Cc1cccc(-c2nc([C@@H]3CC(=O)N(c4cccc(F)c4)C3)no2)c1 44213957 JKEFWHNRFAUVSU-CQSZACIVSA-N 348.337 3.268 30 40 EGEB Cc1ccc2cc(C#N)c(SCC(=O)N3CCCC3)nc2c1C 411029 DAVWHNRWJJIYSQ-UHFFFAOYSA-N 325.437 3.438 30 40 EGEB CSc1nncn1/N=C/c1ccc(COc2ccccc2C)o1 36611325 MATFYGZENLGCCT-GIJQJNRQSA-N 328.397 3.363 30 40 EGEB CCOC(=O)C[C@@]1(C#N)c2ccccc2C=CN1C(=O)c1ccccc1 386964 XCJUFEURDNOFPM-OAQYLSRUSA-N 346.386 3.485 30 40 EGEB Cc1ccc([C@@H]2C3=C(CCCC3=O)NN2c2nc(C)cc(C)n2)cc1 8558900 AUOLNJRSDFGWEE-LJQANCHMSA-N 334.423 3.475 30 40 EGEB COc1cccc(/C=N\N=c2\sc3ccccc3n2C)c1OC 100538300 WIGKUUPSWDQBPZ-WXVVLOHXSA-N 327.409 3.192 30 40 EGEB COc1cccc(/C(O)=N/S(=O)(=O)/C=C/c2ccccc2)c1OC 48529423 MFNORHWRLXDVMY-VAWYXSNFSA-N 347.392 3.009 30 40 EGEB N#Cc1ccccc1-c1ccc(/C=N\N2C(=O)CSC2=S)o1 4698740 ZRXCBNVYOSYKST-IUXPMGMMSA-N 327.390 3.012 30 40 EGEB C(=N/Nc1nc2ccccc2o1)\c1ccc(N2CCOCC2)s1 4980045 IIWLJPLYARDFRS-GZTJUZNOSA-N 328.397 3.172 30 40 EGEB COc1cccc(S(=O)(=O)/N=C(\O)[C@H]2C[C@H]2c2cccc(C)c2)c1 71892425 FNDWWPXNWPZMKC-IRXDYDNUSA-N 345.420 3.453 30 40 EGEB N#Cc1ccc(S(=O)(=O)N2CCCC[C@H]2Cc2ccccc2)s1 619548433 LNCINWZXFMRLAH-HNNXBMFYSA-N 346.477 3.406 30 40 EGEB N#Cc1cccc(CN2CCC(C(=O)N3CCC(F)(F)CC3)CC2)c1 1889118452 XCGBZUVANJCIFI-UHFFFAOYSA-N 347.409 3.028 30 40 EGEB N#Cc1ccc(NC(=O)c2sc3nc4c(cc3c2N)CCC4)cc1 367219 SGVXCHYKXNIURP-UHFFFAOYSA-N 334.404 3.491 30 40 EGEB C[C@@]12CCC(=O)C=C1CC[C@H]1[C@@H]2CC[C@@]2(C)NC(=O)[C@@H](C#N)C[C@H]12 8656034 PXJJMZRPGBMTIG-AWJRKYLQSA-N 326.440 3.137 30 40 EGEB N#CCc1ccc(OC[C@@H](O)CN2CCC[C@H]2c2ccsc2)cc1 58581563 NJIYNNWZBCJOOY-HKUYNNGSSA-N 342.464 3.391 30 40 EGEB COc1cc(/C=C/C(=O)N2CCc3ccccc3C2)ccc1OCC#N 3354568 RGNFVFNPHKEJJW-VQHVLOKHSA-N 348.402 3.196 30 40 EGEB Cc1ccc(C)c(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)c1 12857882 ILHMGHBQVISCPZ-HXUWFJFHSA-N 333.435 3.326 30 40 EGEB N#CCCN(Cc1cccnc1)C(=O)/C=C/c1c(F)cccc1F 69519731 RWJMRBICMBTTMC-BQYQJAHWSA-N 327.334 3.315 30 40 EGEB Cc1cc(C)c(C#N)c(SCC(=O)N2CCc3ccccc3C2)n1 5643283 PETBOJLGLRKXKA-UHFFFAOYSA-N 337.448 3.247 30 40 EGEB N#Cc1ccccc1OCCn1nc(C2CC2)cc(C(F)(F)F)c1=O 71821669 UCMHPGRUYUABBS-UHFFFAOYSA-N 349.312 3.090 30 40 EGEB COC(=O)[C@H](N[C@@H](C)c1cc(C)ccc1OC)c1ccc(C#N)cc1 95960805 XECXVSIQNVDQFG-IFXJQAMLSA-N 338.407 3.440 30 40 EGEB C#CCOc1ccc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)cc1 409036135 KWRRCFWHOISVPM-JXAWBTAJSA-N 348.427 3.303 30 40 EGEB C=CCOc1ccc(CNCCc2nncn2C(C)C)cc1Cl 75092243 BMBGICUSYUNCBT-UHFFFAOYSA-N 334.851 3.410 30 40 EGEB N#CCOc1ccc(/C=C2\SC(=N)[C@@H](c3nccs3)C2=O)cc1 34879690 JOAWWOPHDQWNGU-GMZUGRGDSA-N 341.417 3.463 30 40 EGEB N#Cc1cc(Br)cnc1N1CCC[C@H]1[C@H]1CCCOC1 567768426 NFUVRRJQBQOWHD-FZMZJTMJSA-N 336.233 3.111 30 40 EGEB CC[C@H](C)Sc1nc(N)c(C#N)c(COc2ccccc2OC)n1 223690587 JPQMVJGTINZHIN-NSHDSACASA-N 344.440 3.409 30 40 EGEB Cc1nc(C)c(C#N)c(S[C@@H](C)c2cn(-c3ccccc3)nn2)n1 96471943 LXTZMVWCLPQXIH-LBPRGKRZSA-N 336.424 3.399 30 40 EGEB Cc1cccc(/N=C2/C(=O)N(CN3CCOCC3)c3ccccc32)c1C 3067864 OGQRQAFKITXZAA-LSDHQDQOSA-N 349.434 3.061 30 40 EGEB CCNC(=S)N/N=C/c1ccc(OCc2cccc(F)c2)cc1 17648405 JHJYSXXMYMCQHY-RGVLZGJSSA-N 331.416 3.223 30 40 EGEB O=c1c2ccccc2ncn1/N=C/c1ccc(Br)cc1 21361415 VCYMBZOIFYKWKG-GIJQJNRQSA-N 328.169 3.041 30 40 EGEB COc1ccc(CC(=O)n2c(CC#N)nc3ccccc32)cc1OC 506802 JIXQXSHYCUQIOW-UHFFFAOYSA-N 335.363 3.002 30 40 EGEB CCOc1cccc([C@@H]2[C@H](C#N)C(=O)Nc3nc4ccccc4n32)c1 20637733 LFILRDPQTIOVOW-WMLDXEAASA-N 332.363 3.116 30 40 EGEB CCOc1cc(/C=N\O)ccc1OCC(=O)Nc1ccc(F)cc1 106340834 RSKDQGUYDLBITH-GRSHGNNSSA-N 332.331 3.050 30 40 EGEB Cc1cccc(N2CCN([C@H](C)C(=O)Nc3ccccc3C#N)CC2)c1 27383002 APRDLTBRBJFGPT-QGZVFWFLSA-N 348.450 3.016 30 40 EGEB N#CCCCOc1cccnc1NC(=O)COc1ccc(F)cc1F 69779265 NKCVLUBARIEBGE-UHFFFAOYSA-N 347.321 3.060 30 40 EGEB COc1cc(Br)c(CNc2ncccc2C#N)cc1OC 69461261 WYHCVMWODAHSDU-UHFFFAOYSA-N 348.200 3.345 30 40 EGEB N#CCOc1ccc(Cn2cnc3c(oc4ccccc43)c2=O)cc1 65563009 MFPPHBYGZSKWJR-UHFFFAOYSA-N 331.331 3.093 30 40 EGEB COc1cc(N/N=C/c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 4705040 BTHVAOMQGOMXNU-LICLKQGHSA-N 331.328 3.067 30 40 EGEB Cc1ccc(N/N=C2\Oc3ccc4c(C)cc(=O)oc4c3C2=O)cc1 5730475 QEBSPTWXVMIZHB-VZCXRCSSSA-N 334.331 3.411 30 40 EGEB CC[C@@]12OC(=N)[C@@](C#N)([C@H]1C)C(C#N)(C#N)[C@H](c1ccc(C)cc1)O2 5908363 PSEFZTALOJAXRE-ALQDCCJHSA-N 334.379 3.360 30 40 EGEB C[C@@H](OC(=O)c1ccc(Cl)c(N)c1)C(=O)Nc1sccc1C#N 9885008 ACRKTAUJXVWYEB-MRVPVSSYSA-N 349.799 3.039 30 40 EGEB N#Cc1c(NC(=O)Cn2cc(-c3ccccc3)nn2)sc2c1CCC2 84562937 IWEVVHIHCUCIOB-UHFFFAOYSA-N 349.419 3.006 30 40 EGEB C=CCN(Cc1sc(C)nc1C)S(=O)(=O)c1cccs1 76062294 XNFAWFHHCCYOEH-UHFFFAOYSA-N 328.484 3.198 30 40 EGEB CCOc1ccc(/C=N\OCC(=O)Nc2ccccc2)cc1OC 35393976 WZIUOIFEZDIEIE-UNOMPAQXSA-N 328.368 3.083 30 40 EGEB C#CCOC(=O)CCCCCN1C(=O)c2cccc3cccc(c23)C1=O 36644138 RHMWZHPHBDPJSZ-UHFFFAOYSA-N 349.386 3.173 30 40 EGEB C=CCc1cc(C(=O)NCCOc2ccc(OC)cc2)ccc1OC 224126627 LKOHHLNPEZUOEM-UHFFFAOYSA-N 341.407 3.241 30 40 EGEB Cc1cc(S(=O)(=O)/N=C(\O)c2cncc3ccccc23)c(C)o1 97370774 GGBIWCZNHJGHNX-UHFFFAOYSA-N 330.365 3.138 30 40 EGEB CCN([C@@H](C)c1cccnc1)S(=O)(=O)c1ccc(Cl)cc1C#N 96428049 RANZEOCIBIHROT-LBPRGKRZSA-N 349.843 3.378 30 40 EGEB C=CCCO[C@@H](C)C(=O)[C@@H](C#N)c1nc(O)c2ccc(Cl)cc2n1 67786220 BUXDQFMVHVFSAX-GXFFZTMASA-N 345.786 3.146 30 40 EGEB CCS(=O)(=O)c1ccc(/C=N/Nc2nc3ccccc3o2)cc1 5863871 YZHSECYIDNWEPD-GZTJUZNOSA-N 329.381 3.067 30 40 EGEB O=C(Nc1ccccc1Cl)C1=C(O)C(=O)c2ccccc2C1=O 26330565 SFNBZQYRWSJFAQ-UHFFFAOYSA-N 327.723 3.170 30 40 EGEB C[C@@H](NC(=O)C(=O)Nc1cccc(C#N)c1)c1ccc(F)cc1Cl 96413534 WJZIGVUABVMPIC-SNVBAGLBSA-N 345.761 3.167 30 40 EGEB Cc1cc(C(=O)[C@@H](C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)nn1C 101253455 SDGDZPDYZJBIFZ-LBPRGKRZSA-N 340.770 3.069 30 40 EGEB CC(C)NC(=O)[C@H](C#N)C(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 102401461 MZUCKFFHRHGRJA-SMDDNHRTSA-N 340.345 3.432 30 40 EGEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCCN(CC)CC)[C@H]3C[C@H]12 22920496 OZLBETOWSCJFKV-TWHPPBISSA-N 348.531 3.232 30 40 EGEB biogenic COc1ccc(OC)c(/C=N/N2CCN(c3ccc(C)cc3)CC2)c1 3172210 CTXPVMZLKNFXNK-RCCKNPSSSA-N 339.439 3.168 30 40 EGEB O=C(Nc1nonc1/N=C\c1ccccc1O)c1ccccc1Cl 100457884 MNZIWLMGWZVQLO-NVMNQCDNSA-N 342.742 3.432 30 40 EGEB COc1ccc(OC)c(C[C@@H](C#N)C(=O)Nc2ccccc2OC)c1 57524804 XKHOBXAWZLGADE-AWEZNQCLSA-N 340.379 3.033 30 40 EGEB CCOc1cccc([C@H]2[C@H](C#N)C(=O)Nc3nc4ccccc4n32)c1 20637737 LFILRDPQTIOVOW-YOEHRIQHSA-N 332.363 3.116 30 40 EGEB Cc1cccc(NC(=S)N/N=C/c2ccc(C(=O)O)cc2)c1C 6288445 OSPXSMVUERWMMF-VCHYOVAHSA-N 327.409 3.322 30 40 EGEB N#Cc1cccnc1N1CCN(Cc2c(F)cccc2Cl)CC1 14053821 AJQJXKJCRBNHNV-UHFFFAOYSA-N 330.794 3.068 30 40 EGEB CCOC(=O)c1ccc(N/N=C(/C#N)c2nc3ccccc3[nH]2)cc1 6419973 WXJJXYRDSVQPLM-KQWNVCNZSA-N 333.351 3.079 30 40 EGEB COc1cc(/C=N/Nc2ccc(C(=O)O)cc2)ccc1OC(F)F 7890758 ZYGAAQQGJKWEMW-DJKKODMXSA-N 336.294 3.441 30 40 EGEB CN(Cc1ccc(C#N)cc1)C(=O)Nc1cnn(Cc2ccccc2)c1 71921413 QFMGWZQEDOJVRI-UHFFFAOYSA-N 345.406 3.467 30 40 EGEB CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(C#N)cn2)C12CCCCC2 78874900 OGILDBZXZYVWPH-SJORKVTESA-N 327.428 3.153 30 40 EGEB CCOc1ccc(CN2C(=O)/C(=N/O)c3cc(C)ccc32)cc1OC 95946628 FAGZWTKGEAWFHQ-CZIZESTLSA-N 340.379 3.127 30 40 EGEB C/C(=N\Nc1ccc2ccccc2n1)c1ccc2c(c1)NC(=O)CO2 61101086 XEYDMCLRTSVCFJ-WSDLNYQXSA-N 332.363 3.402 30 40 EGEB C=C(C)CN1CCC(NC(=O)N(C)CC2(c3ccccc3)CC2)CC1 188565722 WUUQEYTXBZPAKC-UHFFFAOYSA-N 341.499 3.400 30 40 EGEB Cc1c([C@@H](C)NC[C@@H](O)c2ccco2)cnn1-c1ccc(C#N)cc1 195553447 JKEJZKBTKWTWTI-FZKQIMNGSA-N 336.395 3.030 30 40 EGEB COC(=O)C1CCN(c2cc(C#N)c3cc(Cl)ccc3n2)CC1 96412837 DIVBHPDZYBALKK-UHFFFAOYSA-N 329.787 3.149 30 40 EGEB CCc1ncnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)c1F 618172965 JSEDRRZRNWWBIU-UHFFFAOYSA-N 345.809 3.030 30 40 EGEB COc1cc(/C=C/C(=O)OCc2ccc(C#N)cc2)ccc1OCC#N 3359984 AURMOSNCMLTMKA-VQHVLOKHSA-N 348.358 3.226 30 40 EGEB Cc1cc(=O)[nH]c(N/N=C/c2ccc(OCc3ccccc3)cc2)n1 5612004 NRVYORBMWHVAIV-UDWIEESQSA-N 334.379 3.103 30 40 EGEB NC(=O)c1c(/N=C/c2cc([N+](=O)[O-])ccc2O)sc2c1CCCC2 12403731 YNQPAMAERKALIN-QGMBQPNBSA-N 345.380 3.090 30 40 EGEB N#Cc1cnc(N2CCC(c3nnc(C4CC4)o3)CC2)c(Cl)c1 1888854223 MAXSCDZIOHFTOD-UHFFFAOYSA-N 329.791 3.251 30 40 EGEB O=S(=O)(Nc1ccccn1)c1ccc(/N=C/c2ccco2)cc1 3668398 WVFRTBXRRQMFRY-LDADJPATSA-N 327.365 3.226 30 40 EGEB O=S(=O)(/N=C(\O)CCc1cscn1)c1ccc(Cl)s1 73086859 ZUIXXMZTVUQYHB-UHFFFAOYSA-N 336.847 3.136 30 40 EGEB CC1CCN([C@@H](CNC(=O)CCc2ccc(C#N)cc2)C(C)C)CC1 40089274 RTWPMDRBRYDATL-FQEVSTJZSA-N 341.499 3.364 30 40 EGEB Cc1c(/N=C/c2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 100064431 NSSULSLBESMEON-OVCLIPMQSA-N 330.256 3.470 30 40 EGEB Cc1ccc(/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cc1[N+](=O)[O-] 100558375 YRHRHESMGGLOQF-FRKPEAEDSA-N 329.268 3.291 30 40 EGEB Cc1ccc(C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)s1 21710170 IDLKXXCFTGBCIN-MRXNPFEDSA-N 343.427 3.218 30 40 EGEB CN(CC(=O)NC12CC3CC(CC(C3)C1)C2)Cc1ccc(C#N)cc1 46518910 RPABQOMOCNYALR-UHFFFAOYSA-N 337.467 3.075 30 40 EGEB O=S(=O)(N/N=C1/CCCc2ccccc21)c1ccc(Cl)cc1 102236107 MZORZWRKMZSKAU-VLGSPTGOSA-N 334.828 3.359 30 40 EGEB COc1ccc(Cl)cc1N/C=C1\C(=O)Oc2ccccc2C1=O 100642450 NKVPAJRTIXMFJT-XFXZXTDPSA-N 329.739 3.446 30 40 EGEB COc1ccc2c(c1)/C(=N/N=C1\C[C@@H](c3ccccc3)N=N1)C(=O)N2C 13895665 VFGSCKHICGHOHU-TZUSUJKQSA-N 347.378 3.371 30 40 EGEB C[C@@H](CC#N)N(C)C(=O)c1cnc(OCC(F)(F)F)c(Cl)c1 65591453 PWMZOHQVBKGYBR-QMMMGPOBSA-N 335.713 3.050 30 40 EGEB CCCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)Nc2ccc(C#N)cc2)C1 65605138 NDTLIFLMEFIATH-HOCLYGCPSA-N 342.443 3.107 30 40 EGEB Cc1cc(C)c2c(c1)/C(=N/NS(=O)(=O)c1ccccc1)CCC2 6638762 NMIJDWGTSNPCJX-VHEBQXMUSA-N 328.437 3.322 30 40 EGEB C/C(=N\OCC(=O)/N=c1\[nH]c2ccccc2s1)c1ccccc1 9350686 LWDBDDIDGSLJDR-UDWIEESQSA-N 325.393 3.098 30 40 EGEB N#Cc1cccc(OCC(=O)Nc2c(F)cccc2N2CCCC2)c1 67167579 SVLYGQVSCKXHAH-UHFFFAOYSA-N 339.370 3.315 30 40 EGEB COc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc(C#N)cc2)cc1F 8193514 UCXAQIIYTZRSIC-ZDUSSCGKSA-N 341.386 3.165 30 40 EGEB N#Cc1cccc(COc2ccc(NC(=O)NCc3ccon3)cc2)c1 84363882 RJZQKPVCSSGFBP-UHFFFAOYSA-N 348.362 3.447 30 40 EGEB CN(Cc1cccs1)S(=O)(=O)c1cccc(Cl)c1C#N 89363747 LRGKKTXMJACFGL-UHFFFAOYSA-N 326.830 3.094 30 40 EGEB Cc1ccc(Nc2nnc([C@@H](C#N)NC(=O)CC(C)C)s2)cc1 35681773 ALVGSGHACYAIDC-CYBMUJFWSA-N 329.429 3.317 30 40 EGEB CC(=O)/C(=N/Nc1ccccc1)[C@H](c1ccccc1)N1CCOCC1 96319115 AEFBZVQDUUIDJG-UUZBPDLYSA-N 337.423 3.117 30 40 EGEB CCOc1ccccc1C(=O)N[C@H](C#N)c1cnn(-c2ccccc2)c1 95444462 OPHQOGZWTVXBTC-GOSISDBHSA-N 346.390 3.266 30 40 EGEB CC1=C(C(=O)c2ccccc2)[C@@H](c2c(F)cccc2F)NC(=O)N1 5517391 UALULKAIMJYLAN-INIZCTEOSA-N 328.318 3.476 30 40 EGEB C#CCn1/c(=N/C(=O)c2ccc([N+](=O)[O-])s2)sc2ccccc21 100875180 IZYUBPMPDXKVDB-NXVVXOECSA-N 343.389 3.047 30 40 EGEB C[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(C#N)c1 56197437 TVGHPVMUCWZIMV-OLZOCXBDSA-N 338.367 3.144 30 40 EGEB COc1ccc(CN(C(=O)c2ccc(C#N)cc2)C2CC2)c(OC)c1 25291996 SQDFBOJXWPMAMJ-UHFFFAOYSA-N 336.391 3.380 30 40 EGEB C#CCOc1c(Cl)cc([C@@H]2NC(=O)c3ccccc3N2)cc1OC 12533728 UAASAWAIUKOPJR-KRWDZBQOSA-N 342.782 3.215 30 40 EGEB N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccncc3)cn2)cc1 48324978 FSPJVRFOXWAMLW-UHFFFAOYSA-N 345.362 3.462 30 40 EGEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCCC[C@@H]4CO)[C@H]3C[C@H]12 4046982 WNVZVCLBASTOLF-WGVHSKNFSA-N 347.499 3.147 30 40 EGEB biogenic COc1cc(/C(C)=N/Nc2nc3ccccc3[nH]2)cc(OC)c1OC 4864194 DGJLDFGCJPSBTN-SRZZPIQSSA-N 340.383 3.425 30 40 EGEB CCC(CC)c1cc[n+](CC(=O)c2ccc3c(c2)NC(=O)CO3)cc1 7982441 PHBNACJNWRKVCF-UHFFFAOYSA-O 339.415 3.092 30 40 EGEB C#CCOc1ccc(F)cc1NC(=O)N(C)Cc1csc(C)n1 96435294 BEKQGYABEFYECQ-UHFFFAOYSA-N 333.388 3.267 30 40 EGEB N#C[C@@H]1CN(C(=O)c2ccc3[nH]ccc3c2)CCN1Cc1ccccc1 96406140 DSHUNAAGYAWECG-LJQANCHMSA-N 344.418 3.018 30 40 EGEB CC(C)c1nccn1CCC(=O)N[C@H](C#N)c1ccc(F)cc1F 73426106 STNFICGPIKOFLO-OAHLLOKOSA-N 332.354 3.056 30 40 EGEB O/C(COc1ccc(F)cc1Cl)=N\c1nc(C(F)(F)F)n[nH]1 36714226 IDAPHGROEVJQSY-UHFFFAOYSA-N 338.648 3.283 30 40 EGEB C=CCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(C)cc1 224690298 VFWNSAQYUFLUJJ-UHFFFAOYSA-N 345.420 3.148 30 40 EGEB N#Cc1ccc(OC2CCN(C(=O)c3cc(F)ccc3O)CC2)cc1 80024393 PGRJSCCHVVGRNM-UHFFFAOYSA-N 340.354 3.087 30 40 EGEB N#Cc1ccc(N2CCC(C(=O)c3cc(F)ccc3F)CC2)nc1 52325787 HEMIJHJBKZMBRG-UHFFFAOYSA-N 327.334 3.331 30 40 EGEB N#C[C@@H](C(=O)C(=O)Nc1nccs1)c1c(Cl)cccc1Cl 5713301 POWFWIZRYXMLTD-SSDOTTSWSA-N 340.191 3.265 30 40 EGEB COc1ccc2c(c1OC)O/C(=C\c1ccc3c(c1)OCO3)C2=O 17300276 DHGTVUHIUVKPPI-NVNXTCNLSA-N 326.304 3.049 30 40 EGEB CCn1c(=O)c(/C=N/c2ccccc2C(=O)O)c(O)c2ccccc21 19418368 LNIYGPGUCKUDHI-RGVLZGJSSA-N 336.347 3.176 30 40 EGEB O=C1CCCC2=C1[C@H](c1ccc3ncccc3c1)Nc1nonc1N2 12324640 ZYQKYTHYQPANGM-INIZCTEOSA-N 333.351 3.204 30 40 EGEB CCOC(=O)CC(=O)CSc1nc2ccc(C)cc2cc1C#N 4092627 QHSVAMOVYVHWMB-UHFFFAOYSA-N 328.393 3.029 30 40 EGEB O=C1Nc2ccccc2[C@]1(O)C/C(=N/O)c1ccc2ccccc2c1 6576594 JZWCJJYBAYUZIP-AFHODHPKSA-N 332.359 3.248 30 40 EGEB CC(C)(C#N)C(=O)NCc1ccc(Cn2cnc3ccccc32)cc1 58363945 DVTGWQAMXJRUCO-UHFFFAOYSA-N 332.407 3.251 30 40 EGEB C#Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 3997419 GUOUQZZIUSOCTE-UHFFFAOYSA-N 336.210 3.231 30 40 EGEB C=C(Br)CNC(=O)c1cc2sc(N(C)C)nc2s1 49296806 UNTWCHWKGSRTIV-UHFFFAOYSA-N 346.275 3.062 30 40 EGEB COc1ccc2[nH]cc(C[C@@H](C#N)C(=O)NCCc3ccccc3)c2c1 49547453 ISDZXIHXINBWTH-INIZCTEOSA-N 347.418 3.218 30 40 EGEB biogenic COc1ccc(OC)c(/C=C2\Oc3cc(OCC#N)ccc3C2=O)c1 5215528 IMCLSMGJIHMFJV-ZDLGFXPLSA-N 337.331 3.222 30 40 EGEB biogenic CCOc1cccc(C(=O)Nc2sc(C(=O)OC)c(C)c2C#N)c1 4537763 ZEWMFUABIJMVSH-UHFFFAOYSA-N 344.392 3.366 30 40 EGEB CC[C@]1(c2ccc(F)cc2)NC(=O)N(Cc2ccc(C#N)cc2)C1=O 4514153 FOBKQOYKKRGANS-LJQANCHMSA-N 337.354 3.055 30 40 EGEB CCCCc1nc(-c2cc(-c3c(C)n[nH]c3C)nc(N)c2C#N)c[nH]1 71479690 LQKLTJTZQQANQX-UHFFFAOYSA-N 335.415 3.275 30 40 EGEB N#Cc1cc(N2CCC[C@@H](CCC(N)=O)C2)nc2ccc(Cl)cc12 72290372 PKKQWTBDKJWLHM-LBPRGKRZSA-N 342.830 3.242 30 40 EGEB Cc1ocnc1C(=O)OC[C@@H](C#N)Cc1ccc(Br)cc1 97039140 OJULMCJFMZVKIM-GFCCVEGCSA-N 349.184 3.285 30 40 EGEB Cc1[nH]ncc1C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 75137388 AKVYTRNEINRQDX-IBGZPJMESA-N 346.390 3.292 30 40 EGEB COc1ccc2[nH]c([C@H]3CCN(Cc4cccc(C#N)c4)C3)nc2c1 35446741 NOVKQCMPPSTATN-INIZCTEOSA-N 332.407 3.433 30 40 EGEB biogenic,in-vitro C[C@@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(Cl)c(Cl)c1 6606863 KDVHMJXEJIHLMJ-HWPZZCPQSA-N 340.254 3.452 30 40 EGEB Cc1ccc(N/N=C2\C(=O)N(C3CSC3)c3c(F)cccc32)cc1 223756176 DZYRPXOWKIEUOU-PGMHBOJBSA-N 341.411 3.412 30 40 EGEB CCCO[C@@](C)(C(=O)Nc1ccc(OC(C)=O)c(C#N)c1)C1CC1 225858820 RVCZRWPUOKJVQI-GOSISDBHSA-N 330.384 3.017 30 40 EGEB C[C@@H](CC#N)NC(=O)c1ccc(Br)cc1C(F)(F)F 96494138 OKLFXSHHFXYBEY-ZETCQYMHSA-N 335.123 3.500 30 40 EGEB Cc1cc(N(CCC#N)C(=O)COC(=O)c2ccoc2)ccc1Cl 11537900 HGENNBDVLXLJTG-UHFFFAOYSA-N 346.770 3.345 30 40 EGEB N#C[C@H](C(=O)NC1CCCCC1)C(=O)c1ccc(-c2cnco2)cc1 103691389 BNURKHWOPWYKKV-INIZCTEOSA-N 337.379 3.113 30 40 EGEB C[C@]12CN(NC(=O)c3ccccc3Cl)[C@]3(C#N)C[C@H]1CC[C@@]23C 100920470 XBCBLBTZXMRLHC-IEGACIPQSA-N 329.831 3.389 30 40 EGEB COc1cccc([C@H]2CC(=O)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)c1 1427540 SCSUNDHWZPQLIK-OAHLLOKOSA-N 342.439 3.131 30 40 EGEB CC(=O)Nc1ccc(/N=C/[C@@H]2C(=O)N(c3ccccc3)N=C2C)cc1 100070299 VDTLKQBTGGNDMW-TYJAPOHBSA-N 334.379 3.386 30 40 EGEB COc1ccc(C[C@H](C#N)C(=O)Nc2ccccc2OC)c(OC)c1 57524889 VJPUCIFLSDDLGR-CQSZACIVSA-N 340.379 3.033 30 40 EGEB CCCOc1cccc(/C(O)=N/S(=O)(=O)c2ccc(C#N)cc2)c1 48503540 DZVPZZIEYDVJNU-UHFFFAOYSA-N 344.392 3.041 30 40 EGEB O=C(O)COc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O 5303267 OYDZKTMZWUZJMO-CHHVJCJISA-N 330.723 3.420 30 40 EGEB COC(=O)CCn1nc(C)c(/C=C/C(=O)c2ccc(F)c(F)c2)c1C 65608300 FOJONFCCCPELKA-FNORWQNLSA-N 348.349 3.237 30 40 EGEB Cc1nc(SCC(=O)N[C@@](C)(C#N)C(C)C)n(CC(C)C)c1C 6610016 JXTQXWBOLRFPAS-KRWDZBQOSA-N 336.505 3.303 30 40 EGEB C=CCn1c(=N)n(C[C@H](O)c2ccc(Cl)cc2)c2ccccc21 19854806 XYQHBZYXGYAYDS-KRWDZBQOSA-N 327.815 3.495 30 40 EGEB CCN(C(=O)c1cccc(CC#N)c1)[C@H]1CCN(c2ccccc2)C1=O 71896590 IZQHXGSDYIRKSG-IBGZPJMESA-N 347.418 3.020 30 40 EGEB CCCOc1ccc(CN2CCN(c3ncccc3C#N)CC2)cc1 89960313 MDHRHZVDTFFQDT-UHFFFAOYSA-N 336.439 3.064 30 40 EGEB Cc1nc(-c2ccc(NC(=O)c3[nH]c4ccccc4c3C#N)cc2)n[nH]1 1598299798 JMCKMIRGSIMPCV-UHFFFAOYSA-N 342.362 3.385 30 40 EGEB CCOc1nc(NCc2ccc(C#N)cc2)ncc1Br 1616022354 YRGWAGUMBVKDLR-UHFFFAOYSA-N 333.189 3.122 30 40 EGEB COc1ccccc1/C=C1\C(=O)ON=C1c1ccc(C)c([N+](=O)[O-])c1 5815023 YEZZWHXNVADDED-ZROIWOOFSA-N 338.319 3.256 30 40 EGEB CCOc1cc(/C=N/Nc2oc(CC(C)C)nc2C#N)ccc1O 15227234 XWXBHHWQJFAGKU-VXLYETTFSA-N 328.372 3.295 30 40 EGEB CCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O 9547918 SQIIZMUJFPZCHW-MFOYZWKCSA-N 342.322 3.384 30 40 EGEB N#Cc1ccc(NC(=O)NC[C@@H](O)c2ccccc2F)cc1Cl 40103379 RTKVFNUUSQHAKS-OAHLLOKOSA-N 333.750 3.206 30 40 EGEB C=C1[C@H](C(=O)Nc2ccccc2F)[C@H]1C(=O)Nc1ccccc1F 350431 MGKPWIQRHNFDDV-HOTGVXAUSA-N 328.318 3.344 30 40 EGEB Cc1ccc2cc(C(=O)[C@@H](C#N)C(=O)Nc3ccccn3)c(C)nc2c1 102017695 UZNBXTWZMDGLIT-MRXNPFEDSA-N 344.374 3.208 30 40 EGEB COC(=O)c1ccc(/C=C2/CCc3oc(C(=O)O)c(C)c3C2=O)cc1 41574981 AXTXSLNUJGHVNB-LCYFTJDESA-N 340.331 3.285 30 40 EGEB N#CCC(=O)Nc1ccc(C(=O)NCc2ccccc2Cl)cc1 2624464 FDLBHBMWKYWDCJ-UHFFFAOYSA-N 327.771 3.122 30 40 EGEB COCCOc1ccc(/C=C/C(=O)c2ccc(C#N)cc2)cc1OC 44012802 CIVFBPNMVFLXDY-WEVVVXLNSA-N 337.375 3.488 30 40 EGEB C#CCOc1ccc([C@@H]2CC(O)=Nc3nc(NC)sc32)cc1OC 61720652 PULVSAAUXITGIF-NSHDSACASA-N 343.408 3.329 30 40 EGEB COc1cccc([C@H]2CCCN2S(=O)(=O)c2cccc(C#N)c2)c1 12768201 TUNWZJYDGPGDKJ-GOSISDBHSA-N 342.420 3.093 30 40 EGEB COc1cc(/C=C/C(=O)c2cc(F)ccc2O)cc(OC)c1OC 5023813 CVSVZUJZPUHVQG-GQCTYLIASA-N 332.327 3.453 30 40 EGEB C#CCN1CCC(C(=O)Nc2cccc3c2CN(CCCC)C3)CC1 66513173 HVBGAUHKWJOXLQ-UHFFFAOYSA-N 339.483 3.086 30 40 EGEB N#Cc1ccc(NC(=O)CN(Cc2ccco2)Cc2ccco2)cc1 7726069 HEVGDRJDDXUVAX-UHFFFAOYSA-N 335.363 3.385 30 40 EGEB CC(C)(C)c1nc(CN2CCN(c3ncccc3C#N)CC2)cs1 71841989 ZPTIHRGIEIJEQX-UHFFFAOYSA-N 341.484 3.029 30 40 EGEB C#CCOc1cccc(NC(=O)c2ccc(F)c(NC(C)=O)c2)c1 71888133 KECJLTKAEAUUOO-UHFFFAOYSA-N 326.327 3.048 30 40 EGEB COc1ccc([C@H](C#N)NC(=O)c2ccc3[nH]ccc3c2)c(OC)c1 95393268 SIVOIHRMDBRSNN-KRWDZBQOSA-N 335.363 3.180 30 40 EGEB Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1CC(=O)OC(C)(C)C 675082408 ZVQFVTOQRRGBFA-UHFFFAOYSA-N 332.249 3.178 30 40 EGEB Cc1ccc(C(=O)/C=C/N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)cc1 19593833 QNSHGNWWBTUHJO-VYENPZKTSA-N 348.402 3.458 30 40 EGEB COc1ccc2c(c1)OC1=C(C(=O)CCC1)[C@H]2C1C(=O)CCCC1=O 90456 DKYAFQJXUWWMQI-GOSISDBHSA-N 340.375 3.117 30 40 EGEB CCCCCC#C[C@](O)(C(=O)OC1CCN(C)CC1)c1ccccc1 1702255 HVEHNJGVGBWQOO-OAQYLSRUSA-N 343.467 3.095 30 40 EGEB C=CCO[C@@H](C)C(=O)Nc1sc(-c2ccccc2)cc1C(N)=O 69665677 LSQCGKNBLSYEKG-NSHDSACASA-N 330.409 3.044 30 40 EGEB C#CCN1C(=O)[C@@](O)(CC(=O)c2ccc(C(C)C)cc2)c2ccccc21 339894 XSJKIKMHTGGNOE-JOCHJYFZSA-N 347.414 3.250 30 40 EGEB COc1cc(N[C@H]2CCCN(c3ncccc3C#N)C2)cc(OC)c1 83920173 ZKISDQFBECFUBJ-HNNXBMFYSA-N 338.411 3.051 30 40 EGEB C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(-n2cccn2)nc1 55891600 KRLJLGJKCQXTAU-UHFFFAOYSA-N 348.406 3.104 30 40 EGEB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)Cc1ccc(C#N)cc1F 25435259 MIKACPDVRIBQOX-AWEZNQCLSA-N 335.386 3.471 30 40 EGEB CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(F)c1 58331154 BNGQNDFFHBVFNA-UHFFFAOYSA-N 340.402 3.293 30 40 EGEB O=C(CON=C1c2ccccc2-c2ccccc21)NCC(F)(F)F 3312380 CVJKVWVDJYAWQU-UHFFFAOYSA-N 334.297 3.115 30 40 EGEB C[C@]1(/N=C(\S)Nc2ccc3ccccc3c2)CCS(=O)(=O)C1 13865092 PBYDVOJPMHDHHT-INIZCTEOSA-N 334.466 3.115 30 40 EGEB N#Cc1cc(C(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c[nH]1 97082337 MEWMMSUBVJHMHN-OAHLLOKOSA-N 349.312 3.119 30 40 EGEB C[C@H](Oc1cccc(C#N)c1)C(=O)N(CC(F)(F)F)c1ccccn1 60350788 VFZIKDWWMHJDIF-LBPRGKRZSA-N 349.312 3.316 30 40 EGEB Cc1cc(/C=N/NC(N)=S)cc(C)c1OCc1ccc(F)cc1 408848110 PEEIWJSVIUOWHZ-AWQFTUOYSA-N 331.416 3.189 30 40 EGEB O=c1c2[nH]c3ccc(Cl)cc3c2ncn1/N=C/c1cccc(O)c1 522484 INMJJNDTEAILRS-DNTJNYDQSA-N 338.754 3.119 30 40 EGEB CCN(CC)C(=O)CSc1nc2cc(OC)ccc2cc1C#N 419931 ZJWFACPESZIBPY-UHFFFAOYSA-N 329.425 3.076 30 40 EGEB C/C(=N\OC(=O)COc1cccc(Br)c1)c1ccncc1 6780551 UCTHWEWQANKCGY-WOJGMQOQSA-N 349.184 3.190 30 40 EGEB C[C@@H]1CCc2c(C(=O)[C@H](C#N)C(=O)Nc3ccccn3)csc2C1 102387405 VCPROIRKSMYFKZ-YPMHNXCESA-N 339.420 3.229 30 40 EGEB CN(CC(=O)N1CCC[C@H]1c1ccsc1)Cc1cccc(C#N)c1 52580448 CDUKBJOBOMMUHK-SFHVURJKSA-N 339.464 3.415 30 40 EGEB Cc1ccc(-c2nc(SCC(N)=O)c(C#N)c3c2CCCC3)cc1 520983 HRFTVDVJYCOLES-UHFFFAOYSA-N 337.448 3.385 30 40 EGEB C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)N1C[C@H]2CC[C@H]1C2 108087969 SEHGNNJJQVKDNG-RYUDHWBXSA-N 346.905 3.119 30 40 EGEB Cc1nnc(N2CCO[C@H](c3ccccc3Cl)C2)c(C#N)c1C 69570712 YVRXFMWRHQRJNV-INIZCTEOSA-N 328.803 3.196 30 40 EGEB CC(=O)/C(=C\Nc1ccc(C)cc1)S(=O)(=O)c1ccccc1F 67340823 NDYHPXFILVVELJ-GZTJUZNOSA-N 333.384 3.450 30 40 EGEB C=CCc1cc(C=O)cc(OCC)c1OS(=O)(=O)c1ccccc1 409085481 ZBSCRAYXMDXRTK-UHFFFAOYSA-N 346.404 3.394 30 40 EGEB N#Cc1cccnc1OC1CCN(C(=O)c2cccc(Cl)c2)CC1 96102854 WAUCIIJYSQLCBM-UHFFFAOYSA-N 341.798 3.290 30 40 EGEB CCC[C@H](C)c1cc(NS(=O)(=O)c2cccc(CC#N)c2)n[nH]1 619463334 KBNXKKRWDRLJEO-LBPRGKRZSA-N 332.429 3.180 30 40 EGEB COc1ccc(C(=O)C2=C(O)C(=O)N[C@H]2c2ccccc2Cl)cc1 5687012 XMFPHHMHZVVRDF-HNNXBMFYSA-N 343.766 3.215 30 40 EGEB COc1ccc(N[C@@H](C)C(=O)Nc2sccc2C#N)c(OC)c1 28806118 DKOQQFJWCIBUPF-JTQLQIEISA-N 331.397 3.076 30 40 EGEB N#Cc1ccc(-c2csc(CN3C(=O)c4ccccc4C3=O)n2)cc1 30448441 SYMWKRIQHZMLNA-UHFFFAOYSA-N 345.383 3.478 30 40 EGEB COc1ccc(-c2noc(CNc3ccc(C#N)cc3)n2)cc1OC 40466052 DDOHTTDGZDJIHD-UHFFFAOYSA-N 336.351 3.238 30 40 EGEB NC(=O)COc1ccccc1/C=N/c1ccc(Br)cc1 361065 ZCJFHQLKTZJMGJ-GIJQJNRQSA-N 333.185 3.064 30 40 EGEB C=CCSc1nnc(NC(=O)COc2cc(C)ccc2C)s1 2627698 IOBFPUFFMCRVSC-UHFFFAOYSA-N 335.454 3.451 30 40 EGEB N#CC1(C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)CCCC1 21563084 FRBCUKSMKLRZKI-UHFFFAOYSA-N 331.803 3.489 30 40 EGEB N#Cc1ccccc1OCc1nc(COc2ccc(F)cc2)no1 58279920 OWFBJZWKGKAXMO-UHFFFAOYSA-N 325.299 3.238 30 40 EGEB CN(C)C(=O)[C@@H]1CCCN1Cc1ccc(-c2ccccc2C#N)cc1 12747630 CWKUYGCFKRZUNM-FQEVSTJZSA-N 333.435 3.278 30 40 EGEB Cc1cc(/N=C2\SCC(=O)N2C2CC2)nn1Cc1ccccc1F 17071842 HHOFBISLSALKIJ-ZPHPHTNESA-N 344.415 3.104 30 40 EGEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1ccc([C@@H](C)O)cc1 65515690 KENWYBAJZVGBPK-CYBMUJFWSA-N 349.390 3.234 30 40 EGEB C[C@@H]1CCC[C@H](CC(=O)N2CCCN(c3ncccc3C#N)CC2)C1 69872428 QNKOTXBUHUAVOY-SJORKVTESA-N 340.471 3.208 30 40 EGEB COC(=O)c1ccc(/C=N/Nc2ccc(Cl)c(C(=O)O)c2)cc1 4920917 FYQIEVYFUNPNGF-GIJQJNRQSA-N 332.743 3.271 30 40 EGEB C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)Cc1ccc(N(C)C)cc1 7361349 VLPOLBLCHIINEX-OAHLLOKOSA-N 336.439 3.083 30 40 EGEB N#C[C@@H](NC(=O)Cc1coc(-c2cccs2)n1)c1ccsc1 71879499 NMCFDMZXQSQIDB-GFCCVEGCSA-N 329.406 3.388 30 40 EGEB C[C@H]1CN(Cc2cccc(CNCc3ccc(C#N)cc3)c2)CCO1 71828160 AYHMQROVLVLXLH-KRWDZBQOSA-N 335.451 3.069 30 40 EGEB Cc1cc(NC(=O)c2ccccc2-c2ccccc2C#N)nc(O)n1 95462359 KQZXXKUXSKAALV-UHFFFAOYSA-N 330.347 3.282 30 40 EGEB CCCC[C@@H](ON=C(C)C)C(=O)N1CCC[C@@H](n2cc(C)cn2)C1 95468849 IJYYCFMQNGQBRJ-IAGOWNOFSA-N 334.464 3.326 30 40 EGEB CC(=O)c1ccc2cc(OCC(=O)N[C@@](C)(C#N)C3CC3)ccc2c1 79014864 JOLFDISREDHVJC-FQEVSTJZSA-N 336.391 3.230 30 40 EGEB N#Cc1ccc(NCc2ccc(N3CCC(O)CC3)c(F)c2)c(F)c1 78393951 NHOPNFNSRQPAAJ-UHFFFAOYSA-N 343.377 3.410 30 40 EGEB COc1ccccc1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2c(C#N)cnn21 44893698 ORGZUBNQOZYOEN-GOSISDBHSA-N 348.406 3.421 30 40 EGEB Cc1ccc(Cn2nc(OCc3ccc(F)cc3)c(C#N)c2N)cc1 225846212 VYMWYSCSOJWFHA-UHFFFAOYSA-N 336.370 3.412 30 40 EGEB CCc1ocnc1/C(O)=N/S(=O)(=O)c1c(Cl)cccc1Cl 95399980 JVLCTUFCFHDHHZ-UHFFFAOYSA-N 349.195 3.237 30 40 EGEB C=CCN(CC=C)C[C@](C)(O)CNc1cc(OC)cc2cccnc12 5929806 QNPVIFHDOPEWTR-HXUWFJFHSA-N 341.455 3.080 30 40 EGEB C#CCOc1ccc2ccccc2c1/C=N/n1c(S)nnc1CC 8182935 PMGBGCPZTRHGSJ-XDHOZWIPSA-N 336.420 3.177 30 40 EGEB C=C(Cl)CN(C(=O)c1ccn(C)c(=O)c1)[C@@H]1CCc2ccccc21 69664538 MZMALDUOVCDWPC-QGZVFWFLSA-N 342.826 3.268 30 40 EGEB COC1=C[C@]23C[C@H](C[C@H](c4ccc5c(c4)OCO5)[C@H]2C)OC3=CC1=O 29395822 SXHVHWXETMBKPP-KXXATPMCSA-N 340.375 3.311 30 40 EGEB biogenic,in-vivo O=C(/C=C/c1csc([N+](=O)[O-])c1)c1ccc(N2CCOCC2)cc1 53101977 ORTDUNFFTOYMJD-LZCJLJQNSA-N 344.392 3.389 30 40 EGEB COC(=O)C1=C(C)N(CCC(C)C)C(=O)N[C@H]1c1cccc(C#N)c1 10354005 KTRQBSYYKXAZLB-KRWDZBQOSA-N 341.411 3.118 30 40 EGEB Cc1sc(NC(=O)Cc2ccc3c(c2)OCCO3)c(C#N)c1C 48287365 SDBYUCCGLWBAKB-UHFFFAOYSA-N 328.393 3.189 30 40 EGEB N#CCCN(Cc1ccco1)C(=O)CN1CCC[C@@H]1c1cccs1 48287122 FBRRRNDJZBCQSQ-MRXNPFEDSA-N 343.452 3.420 30 40 EGEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCc4cccnc4)[C@H]3C[C@@H]12 3999499 POMCUIZHMHCWOJ-GQUPQBGVSA-N 340.467 3.485 30 40 EGEB biogenic CCCCCCCCCC(=O)N[C@@H](C(=O)O)[C@@H](O)c1ccccc1 70665807 HKUCLNWSOJJBSV-MSOLQXFVSA-N 335.444 3.430 30 40 EGEB biogenic N#Cc1cccc(Cn2cnc3ccc(Br)cc3c2=O)c1 7392309 YKMGOCUROYOULR-UHFFFAOYSA-N 340.180 3.079 30 40 EGEB COCCN/C(=N\C1CCCCC1)NCc1cc2ccccc2o1 72271806 UDKMDKSLTKLNOJ-UHFFFAOYSA-N 329.444 3.447 30 40 EGEB C=CCN(c1cccc(C(=O)OCC)c1)S(=O)(=O)c1ccccc1 224677355 WAVWBYKLPZGGNL-UHFFFAOYSA-N 345.420 3.245 30 40 EGEB C[C@@H](C/C(O)=N/S(=O)(=O)c1cccc2cnccc12)n1cccc1 96409064 CIUMRNRLODWDER-ZDUSSCGKSA-N 343.408 3.333 30 40 EGEB C=C(Br)CNC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 49280397 SXIOMFDKMIXGIH-JTQLQIEISA-N 332.625 3.441 30 40 EGEB CNC(=S)N/N=C/c1ccc(-c2ccccc2C(F)(F)F)o1 8091923 FPLFXNQXERWRNA-UFWORHAWSA-N 327.331 3.393 30 40 EGEB N#Cc1ccncc1N1CCC(COc2ccncc2Cl)CC1 1889101425 USUHAPHXARVYMA-UHFFFAOYSA-N 328.803 3.297 30 40 EGEB COc1ccc(/C(O)=C2\C(=O)C(=O)N[C@@H]2c2ccc(Cl)cc2)cc1 104086414 ABGGTNMUHGQYRI-DPEHCCBOSA-N 343.766 3.058 30 40 EGEB O=[N+]([O-])c1ccc(Cl)c(/C=N\NC(=S)NCc2ccccc2)c1 30871434 FZRAPNOIKHQFLF-ZDLGFXPLSA-N 348.815 3.246 30 40 EGEB C[C@H]1CN(c2oc(/C=C/c3ccc(F)cc3)nc2C#N)C[C@H](C)O1 20446585 GPFDELKVSAPDOX-BVAIOKDQSA-N 327.359 3.469 30 40 EGEB O=C(/C=C/N1CCN(/C=C/C(=O)c2ccccc2)CC1)c1ccccc1 6529101 WVBHGEFYSWEHEB-PHEQNACWSA-N 346.430 3.397 30 40 EGEB Cc1ccc(CC(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)cn1 58368505 CKVDATMIKAQRBQ-UHFFFAOYSA-N 347.340 3.395 30 40 EGEB C=CCCO[C@H](C)C(=O)NCc1ccnc(OCc2ccccc2)c1 58405120 HRCQBTGXHPZBKY-MRXNPFEDSA-N 340.423 3.258 30 40 EGEB CN(Cc1ccccc1N1CCCC1)C(=O)COc1cccc(C#N)c1 48277041 LACAJGNLYNJRGA-UHFFFAOYSA-N 349.434 3.196 30 40 EGEB Cc1cc(C(=O)C[n+]2ccc(N(C)C)cc2)c(C)n1Cc1ccccc1 3423395 GLSYPLQMPOBMLM-UHFFFAOYSA-N 348.470 3.390 30 40 EGEB N/C(=N/OC/C=C/c1ccccc1)c1cccnc1N1CCCCC1 64430302 JWLFUDPHMYXITB-DHZHZOJOSA-N 336.439 3.422 30 40 EGEB CCN(C(=O)CO/N=C(/N)c1ccccc1Cl)c1ccccc1 6401023 NCVAWFQAODZTSV-UHFFFAOYSA-N 331.803 3.030 30 40 EGEB CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)Nc2cccc(C#N)c2)C1 65610672 KBIZBIVGZAWPHK-ZBFHGGJFSA-N 342.443 3.107 30 40 EGEB C=C(C)CNC(=S)NC1(c2ccc(Br)cc2)CC1 66010928 WOGHJZZMPKWPBQ-UHFFFAOYSA-N 325.275 3.478 30 40 EGEB C=CCn1c(SCc2nccn2C(F)F)nc2ccccc2c1=O 9366954 DNQRWYPCZPRYHT-UHFFFAOYSA-N 348.378 3.466 30 40 EGEB C[C@@H](NC(=O)C1(C#N)CCCC1)c1nc(-c2cccnc2)cs1 71903946 DXKKTVZKPHVOMV-GFCCVEGCSA-N 326.425 3.466 30 40 EGEB Cc1cccc(N2C(=O)NC(=O)[C@@H](C=Nc3ccc(C)c(C)c3)C2=O)c1 408537493 VRXXROFESXCQMZ-QGZVFWFLSA-N 349.390 3.213 30 40 EGEB CC(C)(C)CC(=O)N1CCC(=NNc2ccccc2C(=O)O)CC1 60420194 GEJHZWCITAPXBM-UHFFFAOYSA-N 331.416 3.211 30 40 EGEB CS[C@@H](C)/C(O)=N/S(=O)(=O)c1ccc(F)cc1C(F)(F)F 78612407 UDWCOMCGBTWJJJ-LURJTMIESA-N 345.339 3.241 30 40 EGEB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)c1ccc(C#N)cn1 96483069 XWOKPZBGIBWQIB-UHFFFAOYSA-N 348.328 3.226 30 40 EGEB N#Cc1ccc(N2CCC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)cc1 96073657 ROVXEESMRNJKED-PMACEKPBSA-N 335.407 3.160 30 40 EGEB CC(C)OC(=O)C[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C#N)c2)C1 274219668 NIDAWTBIPNFKCW-CYBMUJFWSA-N 331.372 3.025 30 40 EGEB C=CCCC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 69452668 LTVWXSMPUMNSFK-ZDUSSCGKSA-N 337.261 3.358 30 40 EGEB COc1ccc(/C=N/Nc2cccc([N+](=O)[O-])c2)c(OC)c1OC 5754052 AHAZBHIPNVHPFJ-LICLKQGHSA-N 331.328 3.067 30 40 EGEB Cc1ccc(N2CC(=O)C(c3nc4ccccc4s3)=C2N)cc1O 5182924 OEKQQXQCRLBXEW-UHFFFAOYSA-N 337.404 3.027 30 40 EGEB Cc1cc(C)c(/C=C/C(=O)NCCNc2ncccc2C#N)cc1C 58275675 QIORCHVIYYBHRL-VOTSOKGWSA-N 334.423 3.120 30 40 EGEB COc1ccc(/C=C/C(=O)c2ccc(O[C@H](C)C(=O)O)cc2)cc1 13361740 BMABFOISCVTURH-YQJFHSMKSA-N 326.348 3.443 30 40 EGEB CSc1nc(C)c(CCC(=O)OCc2ccc(C#N)cc2)c(C)n1 8490543 OWOAIEOVMPGHTG-UHFFFAOYSA-N 341.436 3.363 30 40 EGEB NC(=O)CCn1cc(/C=C2\Cc3ccccc3C2=O)c2ccccc21 4459019 QZSFIWYLSSIBAV-NTCAYCPXSA-N 330.387 3.339 30 40 EGEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 5938349 WFUJTBFPKFDYRJ-SNVBAGLBSA-N 329.287 3.012 30 40 EGEB COc1cc(/C=N/OC(C)=O)ccc1OC(=O)c1ccc(Cl)cc1 67319101 UTFKEQYDEXSAIS-VXLYETTFSA-N 347.754 3.465 30 40 EGEB CCN1CCN(C[C@H](S)CO[C@H]2C[C@H](C)CC(C)(C)C2)CC1 22872259 MHXZIESENXBTBB-ULQDDVLXSA-N 328.566 3.154 30 40 EGEB C=CCNc1nnc(SCc2nc3cc([N+](=O)[O-])ccc3o2)s1 83090361 UAGMJBXVLSKKJB-UHFFFAOYSA-N 349.397 3.478 30 40 EGEB COC(=O)[C@@H](N[C@H](C)c1ccc(OC)c(F)c1)c1cccc(C#N)c1 83029652 FALJZFXQTYKQEZ-XIKOKIGWSA-N 342.370 3.271 30 40 EGEB COc1ccc(C2CC(=O)C(=C3Nc4ccccc4N3)C(=O)C2)cc1 9287715 RTNBXSXCWIALLN-UHFFFAOYSA-N 334.375 3.460 30 40 EGEB N#CCc1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)C2CCC2)cc1 71857630 XZEXJTCSPNVEDB-IBGZPJMESA-N 347.418 3.349 30 40 EGEB Cc1nn(C)c(C)c1C[C@H](C)C(=O)N[C@@H](C#N)c1ccccc1Cl 95401899 VBWHWLXQXRVZEF-GTNSWQLSSA-N 344.846 3.250 30 40 EGEB CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OC(C)=O)c(C#N)c1 225820829 LDUGAEVLYUXVKT-GOSISDBHSA-N 332.400 3.263 30 40 EGEB O=C(/C=C/N1CCN(c2ccccc2F)CC1)c1ccccc1O 96137230 HTVRDURQPFUIHT-MDZDMXLPSA-N 326.371 3.050 30 40 EGEB C=C(C)C[C@@H](C)C(=O)N[C@H](Cc1ccncc1)C(=O)OC(C)(C)C 585090863 SVBKWYCYNFDANG-GDBMZVCRSA-N 332.444 3.053 30 40 EGEB CN(C(=O)Cc1cscc1Br)[C@H]1CCC[C@H]1C#N 601819839 QPNXEQHOFVNGQN-CABZTGNLSA-N 327.247 3.204 30 40 EGEB O=C(C[C@H]1S/C(=N/N=C2CCCCC2)NC1=O)c1ccc(F)cc1 16739646 ORWYQUABVSWBLJ-OAHLLOKOSA-N 347.415 3.306 30 40 EGEB Cc1ccc(NC(=O)C[C@H]2S/C(=N/C(C)C)N(C(C)C)C2=O)cc1 101127923 SPYSRFPNYGKKJX-AMGRQBIBSA-N 347.484 3.440 30 40 EGEB CC(=O)O/N=c1\oc2cc3c(cc2c2c1CCC2)CCC(C)(C)O3 11865530 SMWYPSIELXVPNG-ZZEZOPTASA-N 327.380 3.404 30 40 EGEB N#Cc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 7056128 RIVAGNKMNJCAAJ-UHFFFAOYSA-N 326.299 3.378 30 40 EGEB CC(=O)Nc1nc(CSc2nc3c(c(C)c2C#N)CCC3)cs1 24851693 FKXBTXHNSUAXBX-UHFFFAOYSA-N 344.465 3.458 30 40 EGEB C[C@@H](Nc1ncccc1C#N)c1ccc(N2CCN(C)CC2)c(F)c1 57140166 KNCUOOSSBXWBFA-CQSZACIVSA-N 339.418 3.017 30 40 EGEB C=CCN(Cc1ccccc1F)C(=O)c1cccc(S(C)(=O)=O)c1 58192708 YCUDDRAFDBRVTR-UHFFFAOYSA-N 347.411 3.058 30 40 EGEB O=[N+]([O-])c1cccc(/C=N/N=c2\[nH]c(-c3cccc(O)c3)cs2)c1 8513417 YLRSQMHQRWJMAJ-RQZCQDPDSA-N 340.364 3.292 30 40 EGEB N#CC1(NC(=O)COC(=O)c2cc3ccccc3s2)CCCCC1 6113403 AKWMCKWCWILLFG-UHFFFAOYSA-N 342.420 3.401 30 40 EGEB C=CCNc1nnc(S[C@H](C)C(=O)Nc2ccc(F)cc2)s1 5784326 RFVCBXJSSPEUCL-SECBINFHSA-N 338.433 3.394 30 40 EGEB C#CCOc1cccc([C@H](C)NC(=O)Cc2ccc(Cl)nc2)c1 95394721 KIWMNQUENLHNEQ-ZDUSSCGKSA-N 328.799 3.167 30 40 EGEB CC1(C)CC(=O)C2=C(C1)OC(=O)C[C@H]2c1coc2ccccc2c1=O 524731028 HNEMUVMXEQXOSU-LBPRGKRZSA-N 338.359 3.467 30 40 EGEB biogenic CCCC[C@](C)(OCC)C(=O)Nc1ccc(OC(C)=O)cc1C#N 225825844 QPIDXIBIPVIOCR-SFHVURJKSA-N 332.400 3.407 30 40 EGEB Cc1ccccc1C[C@@H](C)NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 279397041 UVYSXLJYBJXVCW-UZLBHIALSA-N 331.419 3.296 30 40 EGEB CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc(NC(C)=O)cc2)c1O 359368 YZMMHYVSEJCGCJ-VCHYOVAHSA-N 343.339 3.408 30 40 EGEB C=CCNC(=O)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1C 18233125 PNZLTLATVCOJPS-UHFFFAOYSA-N 339.351 3.071 30 40 EGEB CCN(CC)S(=O)(=O)c1cccc(NCc2ccccc2C#N)c1 40047157 AJHCCIMHLQYNSI-UHFFFAOYSA-N 343.452 3.201 30 40 EGEB C[C@H]1CN(c2oc(COc3ccc(Cl)cc3)nc2C#N)C[C@H](C)O1 108716 LDWGQSSRGZBPHO-RYUDHWBXSA-N 347.802 3.392 30 40 EGEB O=C(C#Cc1ccccc1)Nc1cccc(NC(=O)c2ccncc2)c1 80543888 LBMRMNFPVKCRCA-UHFFFAOYSA-N 341.370 3.324 30 40 EGEB C/C(O)=C1\C(=O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1F 102623794 PYHMPACXQITRJK-AAGJOFLKSA-N 329.302 3.454 30 40 EGEB CCO[C@@H](CC)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1C(F)(F)F 103633270 CIMAQCRPKRHOJQ-MFKMUULPSA-N 342.317 3.168 30 40 EGEB N#Cc1c(NC(=O)CNCc2ccccc2Cl)sc2c1CCC2 58127826 ODCCFJSEMGJAPB-UHFFFAOYSA-N 345.855 3.490 30 40 EGEB COc1ccc2nc(C(=O)N(C)Cc3cccc(C#N)c3)ccc2c1 25103987 VUIOHACXTJEAPF-UHFFFAOYSA-N 331.375 3.387 30 40 EGEB N#Cc1cccnc1N1CCCN(c2ncccc2C(F)(F)F)CC1 57147831 JBTDMZAMHLSFKA-UHFFFAOYSA-N 347.344 3.084 30 40 EGEB C=CCCO[C@H](C)C(=O)Nc1cccc(I)c1 58029609 LWLXMNUMXCSISK-SNVBAGLBSA-N 345.180 3.211 30 40 EGEB N#Cc1ccccc1S(=O)(=O)N[C@@H]1CCSc2c(F)cccc21 12738135 IYVKPOPCHVBKPI-CQSZACIVSA-N 348.424 3.213 30 40 EGEB N#Cc1ccccc1OCCn1nc(-c2ccccc2F)ccc1=O 66264603 PCUWMCZZJMDIBV-UHFFFAOYSA-N 335.338 3.000 30 40 EGEB N#Cc1ccc(CN2CCCN(c3ncnc4ccsc34)CC2)cc1 8726147 HXJHGKVZTLMEIH-UHFFFAOYSA-N 349.463 3.275 30 40 EGEB N#C[C@H](C(=O)c1ccc(Cn2cc(Cl)cn2)o1)c1ccccn1 72283223 IXOPBGOQHCKVHW-ZDUSSCGKSA-N 326.743 3.063 30 40 EGEB C[C@H](CN(C)C(=O)NCc1cc(C#N)ccc1F)c1nccs1 97086306 GZDYBYXTRDMJOS-LLVKDONJSA-N 332.404 3.099 30 40 EGEB COc1ccccc1[C@@H](NS(=O)(=O)CC1(C#N)CC1)C(C)(C)C 96503196 CWSXQTFVJYFSQF-OAHLLOKOSA-N 336.457 3.006 30 40 EGEB COc1cc(CNc2ccc(C#N)nc2)cc(Br)c1OC 79021789 WHSQOMAWSFLANT-UHFFFAOYSA-N 348.200 3.345 30 40 EGEB N#CC1(C#N)[C@H]2CCCC[C@]23OC(=N)[C@@]1(C#N)[C@H](c1ccccc1)O3 4572928 YDHPTFXGAJFNQY-OHQAAIJDSA-N 332.363 3.195 30 40 EGEB C=CCn1c(C)c(CN2CCc3c(O)nc(C)nc3C2)c2ccccc21 72347441 DIDQLAKBNHKJAL-UHFFFAOYSA-N 348.450 3.498 30 40 EGEB Cn1cc(C#N)cc1C(=O)OCc1nc2cc(C(F)(F)F)ccc2o1 95425618 POZIAPIIVDIDRK-UHFFFAOYSA-N 349.268 3.414 30 40 EGEB CCc1nc2ccccc2n1CC(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 41496365 VOPAZLMPSLWEOC-CYBMUJFWSA-N 343.390 3.351 30 40 EGEB N#CCCN(Cc1cccnc1)C(=O)CCCOc1ccccc1F 69629588 LGOWIUYHDSKOAE-UHFFFAOYSA-N 341.386 3.322 30 40 EGEB Cc1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccccc3)NC2=O)cc1 6245190 HBUIQCCWSMTCGW-HNNXBMFYSA-N 339.420 3.243 30 40 EGEB COc1ccc2c(c1)O[C@@H](C)C/C2=N/OC(=O)c1ccccc1OC 8298118 DHERVFYJSUDILZ-ZNASEZLDSA-N 341.363 3.436 30 40 EGEB CCCCCCC[C@H](O)/C=C\[C@H](O)CC[C@H](O)CCCC(=O)O 38139745 FITAKYVPWCVTII-XPVQVTDFSA-N 330.465 3.021 30 40 EGEB biogenic,in-vitro O=C(O)CCCC(=O)Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F 6854831 GNKPTLNYBYVYMO-UHFFFAOYSA-N 347.186 3.455 30 40 EGEB O=C1Nc2cc(Cl)ccc2N/C1=C/C(=O)c1cccc([N+](=O)[O-])c1 104238093 VCTRGXZBKDGEMB-RIYZIHGNSA-N 343.726 3.379 30 40 EGEB C[C@@H](C#N)CN(C)Cc1nc(-c2cc(Br)cs2)no1 49001357 ATCDXHXMKCAWGL-QMMMGPOBSA-N 341.234 3.152 30 40 EGEB O=S(=O)(/N=C(\O)C1CCCCC1)c1cncc(Br)c1 49135790 WMYIAFVMINVMRK-UHFFFAOYSA-N 347.234 3.070 30 40 EGEB Cc1ccccc1/N=C1\N=C(S)N(CC#N)[C@]12CCOC(C)(C)C2 18056516 CWZBLBUWNZTYOW-SFHVURJKSA-N 342.468 3.478 30 40 EGEB CC(C)N1C(=O)[C@](O)(CC(=O)/C=C/c2ccccc2)c2ccccc21 4554694 PZNFMZNHUXXDHA-IWGBCORSSA-N 335.403 3.302 30 40 EGEB C[C@H]1CCCCN1C(=O)CSc1nc2ccccc2n1CCC#N 8710127 SGSJWINCMBRYDK-AWEZNQCLSA-N 342.468 3.443 30 40 EGEB Cc1cc(C)c(C#N)c(S[C@H](C)C(=O)Nc2c(C)nn(C)c2C)n1 7371392 LCIFHJGRABXQIA-CYBMUJFWSA-N 343.456 3.040 30 40 EGEB COc1cc2c(C#N)c(OC)nc3c2c(n1)NC1(CCCCC1)N3 19791574 KFTRRQIGMKNVFM-UHFFFAOYSA-N 325.372 3.016 30 40 EGEB C=CCN(Cc1cccs1)C(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C 71803215 OFUFIWHNYXSHCO-GJZGRUSLSA-N 349.500 3.235 30 40 EGEB COCCOC1CCN(c2cc(C#N)ccc2C(F)(F)F)CC1 97163587 MQZOEAHONZYPIZ-UHFFFAOYSA-N 328.334 3.209 30 40 EGEB O=C1ON=C(c2ccccc2)/C1=C/c1ccc(O)c(Br)c1 409079559 KYETWTKFKTXXDL-WQLSENKSSA-N 344.164 3.499 30 40 EGEB COc1cc(/C=N\c2ccc([N+](=O)[O-])cc2)ccc1O[C@H](C)C(=O)O 409016495 CUMPSRIHCHOQME-IPHDDYSGSA-N 344.323 3.206 30 40 EGEB C=C(C)COc1ccccc1[C@@H]1CC(=O)Oc2cc(C)n(C)c(=O)c21 524734108 XNKKHUGREGWVQW-HNNXBMFYSA-N 339.391 3.090 30 40 EGEB CC(C)Cn1nc(Cc2ccc(Br)cc2)c(C#N)c1N 225834516 FGMSGQFEOXTXDU-UHFFFAOYSA-N 333.233 3.346 30 40 EGEB Cc1cc(C(F)(F)F)c(C#N)c(SCc2cc(=O)c(O)co2)n1 96471911 IDBCJSRZXCIGON-UHFFFAOYSA-N 342.298 3.232 30 40 EGEB N#Cc1ccc(I)c(OCc2ccccn2)c1 252478290 AIROUHGCLWYIAX-UHFFFAOYSA-N 336.132 3.137 30 40 EGEB N#Cc1cc(NC2(Cc3ccccc3Br)CC2)ncn1 569992960 MEKSCKDFOGEBQH-UHFFFAOYSA-N 329.201 3.298 30 40 EGEB COc1cccc2c1ncc1c(=O)n3c([nH]c4ccccc43)c(C#N)c12 4745261 GLRPSLWEENXSMD-UHFFFAOYSA-N 340.342 3.362 30 40 EGEB COc1c2c(cc3c1OCO3)CCN(C)C(C(=O)c1ccccc1)=C2 40312856 CADHDSJLIFIMFV-UHFFFAOYSA-N 337.375 3.136 30 40 EGEB biogenic C=CCN1C(=O)N/C(=C/c2cc(Cl)c(OC)c(Cl)c2)C1=O 479404 FBXSYLBVXVETOO-YRNVUSSQSA-N 327.167 3.081 30 40 EGEB C[C@@H]1CN([C@H](CNCc2ccc(C#N)cc2)c2cccs2)CCO1 106907880 JPFGQWPRABLDFA-CRAIPNDOSA-N 341.480 3.171 30 40 EGEB CC1(C)CC(Nc2oc(-c3cccnc3)nc2C#N)CC(C)(C)N1 35672216 FLYKZVXRRWKUFY-UHFFFAOYSA-N 325.416 3.329 30 40 EGEB CCCCCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccccc1[N+](=O)[O-] 2060966 XZGPEEJTXHVZCV-INIZCTEOSA-N 346.383 3.460 30 40 EGEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@H](C)c1ccccc1 12600237 BTXKLTNFPVFURK-OAHLLOKOSA-N 337.423 3.016 30 40 EGEB C=CCOc1ccc(CN(C)C(=O)c2ccnc(-n3ccnc3)c2)cc1 48244866 MRULIHDKOGPXPP-UHFFFAOYSA-N 348.406 3.104 30 40 EGEB C=CCn1c(=O)n2nc(-c3ccccc3)nc2c2c3c(sc21)CCC3 13687365 MWYNGYFXDKAQKK-UHFFFAOYSA-N 348.431 3.447 30 40 EGEB C[C@H](C(=O)Nc1ccc(C#N)cc1)N1CCC[C@@H](C(F)(F)F)C1 14013968 OWGAMMJDMVFECU-DGCLKSJQSA-N 325.334 3.160 30 40 EGEB Cc1c(C(=O)OCC(=O)NC2(C#N)CCCCC2)oc2ccccc12 4581867 RLNHUPIBYUQWPV-UHFFFAOYSA-N 340.379 3.241 30 40 EGEB N#Cc1ccccc1OCC(=O)NCc1cccc(C(F)(F)F)c1 6879752 UNIYLWAMDLDGLO-UHFFFAOYSA-N 334.297 3.272 30 40 EGEB Cc1cc(C)n(/N=C/c2ccc(CSC(F)F)o2)c(=O)c1C#N 7281847 RVXGOSWJKFKTNR-FBCYGCLPSA-N 337.351 3.268 30 40 EGEB CCOC(=O)[C@@H](C)Sc1nc(O)c(C#N)c(-c2ccc(C)cc2)n1 15831966 DUVDSOJPYDKTSD-LLVKDONJSA-N 343.408 3.073 30 40 EGEB C=CCn1cc(C(=O)N2CCC[C@H]2Cn2cccn2)c2ccccc21 71866663 IUAICHHWCUVMEV-INIZCTEOSA-N 334.423 3.329 30 40 EGEB CC(C)NC(=O)Nc1ccc(C(=O)N(CCC#N)[C@H](C)C2CC2)cc1 71800007 IOXUJSGUUAQGTO-CQSZACIVSA-N 342.443 3.371 30 40 EGEB C=C(C)CN1CCC(NC(=O)[C@@H](C)Oc2ccc(SC)cc2)CC1 76994663 NSPSCUFMSIEVIX-OAHLLOKOSA-N 348.512 3.333 30 40 EGEB CSc1ncccc1/C(O)=N/S(=O)(=O)c1ccccc1Cl 75092217 DPDYXSBHTYKARW-UHFFFAOYSA-N 342.829 3.150 30 40 EGEB C#CCOc1ccc(NC(=O)N2CCO[C@@H](c3ccc(C)o3)C2)cc1 89652664 HJZZLGDRFKLBNS-GOSISDBHSA-N 340.379 3.205 30 40 EGEB Cc1ccc(COc2nn(Cc3cccc(F)c3)c(N)c2C#N)cc1 225842080 DLSZSELYRFZHLI-UHFFFAOYSA-N 336.370 3.412 30 40 EGEB N#CC1(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CCOCC1 390835269 IQAHOEHQVLUZKO-GXTWGEPZSA-N 339.222 3.286 30 40 EGEB C/C(=N/NC(=S)NC12CC3CC(CC(C3)C1)C2)c1ccccn1 17108758 ZYVLAEATQIUMQN-MTJSOVHGSA-N 328.485 3.239 30 40 EGEB COc1ccc(/C=C2\CNC/C(=C\c3ccc(OC)cc3)C2=O)cc1 17195930 KLQHUUOZRTVODQ-JYFOCSDGSA-N 335.403 3.343 30 40 EGEB CCc1ccccc1NC(=O)[C@@H]1CCCN1/C=C/C(=O)C(F)(F)F 4119679 NEDJFOBCPUYDIZ-MARXPDLDSA-N 340.345 3.297 30 40 EGEB Cc1cc(NC(=O)c2sc(Nc3ccccc3)c(C#N)c2N)no1 4574977 NSFKFMWLEJZXFU-UHFFFAOYSA-N 339.380 3.494 30 40 EGEB COc1ccc(OCCSCC(=O)Nc2sccc2C#N)cc1 50250136 NVHDMKFUTNWKEG-UHFFFAOYSA-N 348.449 3.379 30 40 EGEB CCOC(=O)[C@H](C#N)[C@H](Cc1ccccc1)c1ccc2c(c1)OCO2 169035 SHOOUTRHZYZRBO-IAGOWNOFSA-N 337.375 3.444 30 40 EGEB Cc1ccc(-c2ccc(/C=N/NC(N)=S)o2)cc1Br 6846133 SUHFZEZHFONDBJ-FRKPEAEDSA-N 338.230 3.185 30 40 EGEB CCN1CCN(C[C@H](S)CO[C@H]2C[C@@H](C)CC(C)(C)C2)CC1 26781462 MHXZIESENXBTBB-IKGGRYGDSA-N 328.566 3.154 30 40 EGEB CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)c1cccc(C#N)c1 58290440 HDEBMOLTTUBLMF-MRXNPFEDSA-N 343.427 3.078 30 40 EGEB N#Cc1cc(F)c(NCc2cccc(Cn3cncn3)c2)c(F)c1 65589703 STFAZWGTJMSCCW-UHFFFAOYSA-N 325.322 3.088 30 40 EGEB C=C(C)CN(CC)C(=O)Nc1ccc(OC)c(N2CCCC2=O)c1 69529520 SNMXVQFHIGDIDI-UHFFFAOYSA-N 331.416 3.252 30 40 EGEB C=CCNc1nc(-c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)cs1 7274105 RDHYWRGFXVBOOV-LLVKDONJSA-N 349.481 3.119 30 40 EGEB C=CCn1cnnc1S[C@@H](C)C(=O)Nc1ccc(F)c(Cl)c1 7634136 AGXYWWQZPCILED-VIFPVBQESA-N 340.811 3.376 30 40 EGEB COC(=O)CN(Cc1ccccc1Cl)C(=O)c1cc(C#N)cs1 83891278 WABQIYFLUKLMFH-UHFFFAOYSA-N 348.811 3.089 30 40 EGEB CCn1c(-c2ccco2)nn(CNC2(C#N)CCCCC2)c1=S 89300478 CHWYUWISUCLYDV-UHFFFAOYSA-N 331.445 3.468 30 40 EGEB Cc1cc(Cl)c2ncc(C#N)c(N3CC[S@@](=O)C[C@H](C)C3)c2c1 225778452 UXTBSJQBBVKRFQ-SFDCACGMSA-N 347.871 3.273 30 40 EGEB C=CCOC[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(=O)Nc1ccc(C)cc1 96082488 QKSMSGFCTCALOK-CGTJXYLNSA-N 330.428 3.209 30 40 EGEB C#CCCCC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1 585089400 KOBYIYMLGIRRJN-SFHVURJKSA-N 327.815 3.341 30 40 EGEB COc1ccc(/C=C2\Oc3c(CN(C)C)c(O)cc(C)c3C2=O)cc1 20573311 ROZIVAFMDKWBTF-YVLHZVERSA-N 339.391 3.387 30 40 EGEB COC(=O)c1ccc2c(c1)C(=O)/C(=C\c1ccc(OC)cc1OC)O2 429860 ACQNDKXMOBGYKN-RQZCQDPDSA-N 340.331 3.107 30 40 EGEB CCO[C@@H](CC)C(=O)[C@H](C#N)C(=O)Nc1ccccc1C(F)(F)F 103633277 CIMAQCRPKRHOJQ-GWCFXTLKSA-N 342.317 3.168 30 40 EGEB COC(=O)[C@@]12CC(C)(C)C[C@@](C)(CC3=C1C(=O)/C(=N/N)C(C)(C)C3)C2 103750340 FEZZIAMQVRGBHX-ZMQDARQRSA-N 346.471 3.376 30 40 EGEB N#C[C@@H](C(=O)Nc1ccccn1)C(=O)c1cc(Cl)sc1Cl 103717563 IAKNIWSNHVBKQB-MRVPVSSYSA-N 340.191 3.411 30 40 EGEB C=C(C)Cn1c(C)cc(C)c(S(=O)(=O)c2cccc(C)c2)c1=O 1397530 LGIXJMUHEJXWQK-UHFFFAOYSA-N 331.437 3.182 30 40 EGEB CCOc1ccc(CCNC(=O)c2ccc(C#N)cc2)cc1OCC 3221369 JYXXMBHBRYCPRS-UHFFFAOYSA-N 338.407 3.328 30 40 EGEB CC(=O)NCc1ccc(C(=O)COc2ccc(C#N)cc2Cl)cc1 28141724 DISXYQOTAYYTJE-UHFFFAOYSA-N 342.782 3.109 30 40 EGEB C=CCNc1ccc(C(=O)c2ccccc2C(=O)OC)cc1[N+](=O)[O-] 12728192 FKARIEZTLBPJKQ-UHFFFAOYSA-N 340.335 3.210 30 40 EGEB N#C/C(=N\Nc1ccc2c(c1)OCCO2)c1nc2ccccc2s1 4387635 LBKVCGXORWYEJZ-FYJGNVAPSA-N 336.376 3.407 30 40 EGEB CCCCn1nc(C(=O)Nc2cccc(C#N)c2)c2ccccc2c1=O 6430013 VZXRTBJVBIPRTF-UHFFFAOYSA-N 346.390 3.321 30 40 EGEB Cc1nn(-c2ccccc2Cl)c(Cl)c1/C=N/N1CCOCC1 6684019 LVMOXJLXIJUWFE-VCHYOVAHSA-N 339.226 3.154 30 40 EGEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@H]2c1ccccc1O 18195178 YKANEOCZZGTQLO-ZDUSSCGKSA-N 325.368 3.022 30 40 EGEB C=CCOc1cccc(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1 20110685 UAHFXJRDUZJFGK-UHFFFAOYSA-N 348.380 3.102 30 40 EGEB C=CCNC(=O)CCc1ncc(-c2cccc(Br)c2)o1 224883109 MTKWJPFBSNRFGE-UHFFFAOYSA-N 335.201 3.339 30 40 EGEB Cc1c([C@H](C)NCC2CCN(C)CC2)cnn1-c1ccc(C#N)cc1 97233919 QPKTYHTYTHHEMM-HNNXBMFYSA-N 337.471 3.045 30 40 EGEB Cc1ccc(C(=O)N2CCC(Oc3ncccc3C#N)CC2)cc1C 96102852 MQRVHRPQMNPABO-UHFFFAOYSA-N 335.407 3.254 30 40 EGEB C=C(Cl)CN(Cc1ncnn1CCF)[C@@H]1CCc2ccccc21 390835563 QUZLEELVPWHVEB-MRXNPFEDSA-N 334.826 3.490 30 40 EGEB C[C@H]1CC2(CCOCC2)CN1CC(=O)Nc1cc(Cl)ccc1C#N 592181029 AELFYESYQOSWIV-ZDUSSCGKSA-N 347.846 3.041 30 40 EGEB N#Cc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 8263543 VDFFOCMUTCRXGD-ZDUSSCGKSA-N 339.782 3.203 30 40 EGEB N#Cc1cnc2ccccc2c1NCc1nncn1-c1ccccc1 91430051 TWRVPQVODJNXFI-UHFFFAOYSA-N 326.363 3.299 30 40 EGEB CC(C)Oc1ccc(C#N)cc1NCc1cc(=O)n2ccsc2n1 58156906 XSXRIRDEHWEYHF-UHFFFAOYSA-N 340.408 3.027 30 40 EGEB COCCNc1oc(COc2ccc(Cl)cc2Cl)nc1C#N 2421831 JFHRGLAFTVPERV-UHFFFAOYSA-N 342.182 3.490 30 40 EGEB C=CCn1c(=O)n2nc(-c3ccco3)nc2c2c3c(sc21)CCC3 13736559 QNKNTFUOEMRRLH-UHFFFAOYSA-N 338.392 3.040 30 40 EGEB C=CCn1cnnc1S[C@H](C)c1nc2sc(C)c(C)c2c(=O)[nH]1 14169019 IYGFAWDFSPUPJL-SNVBAGLBSA-N 347.469 3.232 30 40 EGEB CC(C)n1cnnc1SCC(=O)Nc1c(C#N)oc2ccccc12 7737939 XUYILHPWWJEIHG-UHFFFAOYSA-N 341.396 3.208 30 40 EGEB C=CCn1c(SCc2ccc(F)cc2)nc2onc(C)c2c1=N 19897664 CNFBRLZYTHEJGB-UHFFFAOYSA-N 330.388 3.430 30 40 EGEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccncc1 19855482 GXEZDNIXNUPTLX-SFHVURJKSA-N 340.423 3.393 30 40 EGEB N#Cc1cccc(COc2cccc(CNCCn3cccn3)c2)c1 71819648 BLWZZJXTNOAQGG-UHFFFAOYSA-N 332.407 3.124 30 40 EGEB N#CCCCOc1cccnc1NCc1ccc2c(c1)OCCO2 97147945 FZLCSGSYRQKRQT-UHFFFAOYSA-N 325.368 3.147 30 40 EGEB CC(C)(NC(=O)NCc1cccc(C#N)c1)c1ccc([N+](=O)[O-])cc1 95409029 NHGJFGKOIMLGPK-UHFFFAOYSA-N 338.367 3.201 30 40 EGEB Cc1cccc(N2CCO[C@H]2c2cn(Cc3ccccc3C#N)nn2)c1 216759630 OSVKITUIFPQNHY-FQEVSTJZSA-N 345.406 3.042 30 40 EGEB C=CCN1Cc2ccccc2C2(CCN(c3ccc(C)nn3)CC2)C1 96079538 OAZCZZQOWOIUMI-UHFFFAOYSA-N 334.467 3.325 30 40 EGEB CC(C)n1cnc(S(=O)(=O)N(c2cccc(C#N)c2)C2CCC2)c1 585129209 BMHNMCVBDKFRIC-UHFFFAOYSA-N 344.440 3.083 30 40 EGEB C=C1[C@H]2CC[C@@]3(CC[C@H]4[C@@]5(CCC[C@@]4(C)CN(CCO)C5)[C@@H]3C2)[C@@H]1O 4104811 KNYGXNFGZONVKK-BZDFKLGJSA-N 345.527 3.214 30 40 EGEB biogenic,in-vitro Cc1c(C(=O)N2CCCC2)sc(NC(=O)c2ccco2)c1C#N 350676 XWJFKHNOSVVXLB-UHFFFAOYSA-N 329.381 3.010 30 40 EGEB N#Cc1ccc(OCC(=O)N[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1 22498501 NYXBDALPFOZKLO-UONOGXRCSA-N 326.318 3.174 30 40 EGEB Cc1ccc(C(=O)[C@@H](C#N)C(=O)c2cccc([N+](=O)[O-])c2C)s1 102763759 LKZDSZBOIUIQFN-LBPRGKRZSA-N 328.349 3.479 30 40 EGEB N#Cc1ccc(CCC(=O)OCc2nnc(-c3cccs3)o2)cc1 12956597 AKYDXCLMKKKWDU-UHFFFAOYSA-N 339.376 3.346 30 40 EGEB N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CCOC2)cc1F 96433132 VXIOUFWAUOUFJJ-CYBMUJFWSA-N 326.327 3.465 30 40 EGEB O=C(/C=C/c1cnc2ccccn12)c1ccc(N2CCOCC2)cc1 71916332 WHKYXOIFCOSQNU-CMDGGOBGSA-N 333.391 3.067 30 40 EGEB C=CCCO[C@@H](C)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 71909307 MXFZCFWSIZCTPK-IRXDYDNUSA-N 330.472 3.309 30 40 EGEB Cc1cccc(OCC(=O)NC2CCN(c3ccccc3C#N)CC2)c1 72277252 GIUZAIVIYQFRFV-UHFFFAOYSA-N 349.434 3.031 30 40 EGEB N#Cc1cc(NCC[S@](=O)Cc2ccccc2)nc2ccccc12 72290384 SIJFLLVWRVAYKB-XMMPIXPASA-N 335.432 3.467 30 40 EGEB Cc1csc([C@@H](C#N)C(=O)c2cc(N3CCCC3=O)ccc2F)n1 76089966 JBNPAMJSHYDADL-ZDUSSCGKSA-N 343.383 3.208 30 40 EGEB N#Cc1c(-c2ccc(O)c(Br)c2)c2c([nH]c1=N)CCCC2 408977653 FBSNIRAQYOWCNM-UHFFFAOYSA-N 344.212 3.380 30 40 EGEB C[C@]1(/C(O)=N/S(=O)(=O)c2cccnc2)CCCc2ccccc21 78979032 RNASDMMIPZEINN-KRWDZBQOSA-N 330.409 3.021 30 40 EGEB C=CCN(c1ccc(F)cc1F)S(=O)(=O)c1ccc(OC)cc1 224862558 DCZYZIABEZKOIK-UHFFFAOYSA-N 339.363 3.355 30 40 EGEB COc1cccc(CCCNC(=O)NCC2CCC(C#N)CC2)c1 225652830 BTYCLTSUCDYMCN-UHFFFAOYSA-N 329.444 3.257 30 40 EGEB C=CCN(c1ccc(F)cc1F)S(=O)(=O)c1ccc(F)cc1 224916491 WXRDKNDKTODLFZ-UHFFFAOYSA-N 327.327 3.485 30 40 EGEB COc1ccc(C)cc1S(=O)(=O)N[C@H](CCC#N)c1ccccc1 195430039 NZXLELRYPZTCOE-MRXNPFEDSA-N 344.436 3.327 30 40 EGEB COc1ccc(C)cc1/C=C/C(O)=N/c1nc(C(F)(F)F)n[nH]1 57991664 WVXOOOSLNRHZQO-GQCTYLIASA-N 326.278 3.442 30 40 EGEB N#Cc1c[nH]c(C(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)c1 89878976 DXTFFPYFAJMYRA-KRWDZBQOSA-N 336.782 3.454 30 40 EGEB CN1/C(=N/c2ccccc2)SC[C@]1(O)c1ccc([N+](=O)[O-])cc1 1462292 HJGBRCFEUHMIBI-SCDSTIRESA-N 329.381 3.106 30 40 EGEB CSc1nc(NCCN(C)C)c(C#N)c(-c2ccc(C)cc2)n1 19820647 UCUFHMAAJOSSHT-UHFFFAOYSA-N 327.457 3.019 30 40 EGEB O=C1CCCC2=C1[C@H](c1ccc(Br)cc1)n1ncnc1N2 66991 UPWBPVRNDNEUDK-AWEZNQCLSA-N 345.200 3.063 30 40 EGEB O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)C(F)(F)F 59727581 KFYNBNPHBSDOAM-UHFFFAOYSA-N 328.077 3.263 30 40 EGEB C/C(CC(=O)C(F)(F)F)=N/[C@@H](C)C/N=C(\C)CC(=O)C(F)(F)F 104327369 VNLNAOXDCUNKIA-DXWGCBNGSA-N 346.271 3.340 30 40 EGEB CC/N=C1\S[C@@H](C(=O)Nc2ccc(Cl)cc2)CC(=O)N1CC 12628405 OCRFLCKUTVWREO-UWENYHRYSA-N 339.848 3.008 30 40 EGEB C=CCNc1nnc(SCCC(=O)N[C@@H](C)c2ccccc2)s1 12775172 PWRFNWZFSLCOFR-LBPRGKRZSA-N 348.497 3.496 30 40 EGEB O=S(=O)(/N=C(\O)CC1CCCCC1)c1cccc2nsnc12 48637739 ZUHSWNPBTGWJJJ-UHFFFAOYSA-N 339.442 3.307 30 40 EGEB N#CCSCC(=O)[C@@H](C#N)c1ncc(C(F)(F)F)cc1Cl 49396689 HGJCWKSRDTVZKC-MRVPVSSYSA-N 333.722 3.187 30 40 EGEB C[C@@H](NC(=O)c1occc1COc1cccc(C#N)c1)[C@@H]1CCCO1 65564418 DXVHQTIZPBGDSZ-DYVFJYSZSA-N 340.379 3.028 30 40 EGEB C=CCN1C(=O)/C(=C\c2ccccc2)C(=O)N(c2ccccc2)C1=S 408730679 TWRFWIDIYHZHHZ-SAPNQHFASA-N 348.427 3.416 30 40 EGEB N#C[C@H](NC(=O)COCC(F)(F)F)c1cccc(Cl)c1Cl 66393803 AMBCVRMOPCHJIR-VIFPVBQESA-N 341.116 3.253 30 40 EGEB O=C1Nc2ccc(Br)cc2/C1=N\c1cccc([N+](=O)[O-])c1 18243715 VCHLKAUWEIZAIQ-UHFFFAOYSA-N 346.140 3.430 30 40 EGEB CC1CCN([C@@H](CNC(=O)C#CC2CCC2)c2cccs2)CC1 96007085 ZPYOXXKWILJWEG-KRWDZBQOSA-N 330.497 3.441 30 40 EGEB C=CCCCN(C)C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 71914819 DXTUNKLCMMBINB-VAWYXSNFSA-N 340.467 3.363 30 40 EGEB Cc1ccc(OCCN2C(=O)/C(=N\O)c3cc(Cl)ccc32)cc1 39854131 FKHMQHTUIBQXNX-MNDPQUGUSA-N 330.771 3.252 30 40 EGEB CCOC(=O)C1=C[C@H](C2CC2)c2cc([N+](=O)[O-])c(Cl)cc2C1=O 255190034 UNRVHLFHMUFHHC-SECBINFHSA-N 335.743 3.428 30 40 EGEB O=C(O)Cc1s/c(=N/N=C\c2ccccc2)[nH]c1-c1ccccc1 31903803 QEUYKMZLRJUCKC-UNOMPAQXSA-N 337.404 3.305 30 40 EGEB C=CCOc1ccc(/C=N/Nc2nc(C)cc(COC)c2C#N)cc1 59433714 HKHJDBRKRVQKTD-CIAFOILYSA-N 336.395 3.419 30 40 EGEB CO[C@@H](C)C(=O)Nc1cccc(NC(=O)Nc2cccc(C#N)c2)c1 58014557 XFBYOLDEIDOZTK-LBPRGKRZSA-N 338.367 3.176 30 40 EGEB CCOc1ccc2cc(C(=O)Nc3cc(C)nn3CCC#N)[nH]c2c1 58330171 QESVWAZDNFIBSB-UHFFFAOYSA-N 337.383 3.238 30 40 EGEB COc1cc(C(=O)/C=C/c2ccccc2C)ccc1OCC(=O)O 8322853 SEASOGMYVOCPQM-VQHVLOKHSA-N 326.348 3.363 30 40 EGEB N#CC1(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)CCC1 60193566 SIEFZZOCLJNPOE-SFHVURJKSA-N 347.418 3.110 30 40 EGEB Cc1csc(C2=C(N)N([C@@H]3CCCc4ccccc43)CC2=O)n1 13684551 MAXUSTVSANLGCS-CQSZACIVSA-N 325.437 3.041 30 40 EGEB C=CCn1c(C)nnc1SCC(=O)N[C@H](C)c1ccc(C)c(C)c1 14110742 MBXOQIMDBCWMMJ-CQSZACIVSA-N 344.484 3.359 30 40 EGEB O=C(O)COc1ccccc1/C=N/Nc1nc2ccccc2s1 6551479 FZVXHVXXVOSJIZ-RQZCQDPDSA-N 327.365 3.206 30 40 EGEB C=CCSc1ncc(Cl)c(C(=O)Nc2nnc(CC)s2)n1 6748090 VZGYNRQMFNHYCM-UHFFFAOYSA-N 341.849 3.074 30 40 EGEB COc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N\O)cc1 409377226 FWSKVVJDRQKTSW-NVMNQCDNSA-N 334.759 3.174 30 40 EGEB CN(C)CCC[C@]1(c2ccc(F)cc2)O[C@@H](O)c2cc(C#N)ccc21 34433136 LJPQJFHBFOOIHE-WOJBJXKFSA-N 340.398 3.304 30 40 EGEB in-vitro CC[C@H](C(=O)OC)N(C(=O)c1cc(C#N)cs1)c1ccccc1 84110293 WIKSSADLGWHXGE-CQSZACIVSA-N 328.393 3.218 30 40 EGEB N#Cc1ccc(N2CCN(c3ccc(Br)cc3)CC2)nc1 596456359 POXODLUGPYLBHR-UHFFFAOYSA-N 343.228 3.042 30 40 EGEB CCOc1cccc(/C=N/CCNc2ccc([N+](=O)[O-])cc2)c1O 5261812 XRIOJBTXLVQIPN-LDADJPATSA-N 329.356 3.230 30 40 EGEB CN(C)/C=N/c1nc(-c2ccc(Cl)cc2)c(C#N)c(C#N)c1C#N 100921556 JNWYISOZCLFFRU-LSHDLFTRSA-N 334.770 3.238 30 40 EGEB C=CCn1c(CNC(=O)c2ccc(Cl)cc2Cl)n[nH]c1=S 6073555 MTRXHLUUAXRLGL-UHFFFAOYSA-N 343.239 3.363 30 40 EGEB COc1ccc(C(=O)/C=C/c2c(F)cccc2F)cc1CC(=O)O 32890838 BAEZCWGAZGAQCW-VOTSOKGWSA-N 332.302 3.497 30 40 EGEB O=C1/C(=N/O)c2ccccc2N1CCOc1cccc2ccccc12 102888889 CCYDPLRVNJJTTP-XUTLUUPISA-N 332.359 3.444 30 40 EGEB CCN1CCN(c2oc(Cc3cccc4ccccc34)nc2C#N)CC1 533638 DDVHZOOQYRQACF-UHFFFAOYSA-N 346.434 3.432 30 40 EGEB CCn1c(=O)c(/C=N/c2ccccc2[N+](=O)[O-])c(O)c2ccccc21 103506728 SJUSSFUTIHBLJT-YBFXNURJSA-N 337.335 3.386 30 40 EGEB COc1ccc(N/C=C/C(=O)c2ccc3c(c2)OCO3)c(OC)c1 44842420 IRPOTLFRXRYGMV-BQYQJAHWSA-N 327.336 3.241 30 40 EGEB CC1=C(C)/C(=N/OC(=O)c2ccccc2Br)C=CC1=O 5340548 FRWODXDBRNXPNF-GHRIWEEISA-N 334.169 3.437 30 40 EGEB Cc1nc2c(c(=O)[nH]1)[C@H](c1ccc(Cl)cc1)C1=C(CCCC1=O)O2 15082930 ZVZAGDIUZJLHNZ-CQSZACIVSA-N 342.782 3.263 30 40 EGEB COC(=O)c1ccc(/N=C/c2ccc(N3CCOCC3)cc2)c(C)c1 409100204 VNDQYUGRHZLTLY-KGENOOAVSA-N 338.407 3.369 30 40 EGEB C[C@@H](NCc1ccc(C#N)cc1)c1ccc(N2CCN(C)CC2)cc1 71825374 IDCQMBWWRYJUOP-QGZVFWFLSA-N 334.467 3.161 30 40 EGEB Cc1ccc(C)c(S(=O)(=O)/N=C(\O)Cc2ccc(F)c(F)c2)c1 84147527 WNGHJLWSZQYKQU-UHFFFAOYSA-N 339.363 3.470 30 40 EGEB N#Cc1ccc([S@](=O)Cc2nc(-c3ccco3)no2)c(Cl)c1 97166270 FKUOPJVNORCDMF-QFIPXVFZSA-N 333.756 3.162 30 40 EGEB C=C(C)CN(C)C(=O)c1ncc(Br)cc1Br 97115718 KMVLJJWXTDFCTQ-UHFFFAOYSA-N 348.038 3.255 30 40 EGEB N#CC1(C#N)[C@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccccc1 218338858 ODLSSQLBJPWCRF-HZPDHXFCSA-N 342.807 3.313 30 40 EGEB O=C1Nc2ccc(F)cc2/C1=N/Nc1ccc(Br)cc1 223755101 RIEXRTFNMBTJBE-UHFFFAOYSA-N 334.148 3.357 30 40 EGEB COc1ccc(C(=O)/C=C2\NCCN2Cc2ccccc2Cl)cc1 98211206 QWJVMYHFYOTYKR-XDHOZWIPSA-N 342.826 3.478 30 40 EGEB CCN(CCC(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1C#N 96427850 BCDVAFAEYQNPON-UHFFFAOYSA-N 340.754 3.175 30 40 EGEB O=C(/C=C\N[C@H](Cc1ccccc1)C(=O)O)c1ccc(Cl)cc1 16478673 PTVUZSPMAUGIIX-BLIJAFNYSA-N 329.783 3.322 30 40 EGEB COc1ccc(/C=C2/CCS(=O)(=O)c3ccccc3C2=O)cc1 1652801 BPGXKOQZRFBKOR-OWBHPGMISA-N 328.389 3.139 30 40 EGEB COc1cc(/C=N/N=C/c2cc(OC)cc(OC)c2)cc(OC)c1 1738866 JIZDVSMSMPJBHE-AYKLPDECSA-N 328.368 3.174 30 40 EGEB Cc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCC3)cc1 2184378 WYBPGEUMHAQHPP-UHFFFAOYSA-N 340.404 3.212 30 40 EGEB Cc1ccccc1Cn1cccc(C(=O)Nc2ccccc2C#N)c1=O 5269154 MXKIKQHWUUDXSS-UHFFFAOYSA-N 343.386 3.329 30 40 EGEB N#Cc1c(NC(=O)CSc2nccn2C2CC2)sc2c1CCC2 11892336 NPZMIHVYRBFDNQ-UHFFFAOYSA-N 344.465 3.371 30 40 EGEB O=S(=O)(/N=C(\O)[C@H]1CCCC[C@H]1C(F)(F)F)N1CCCCC1 52794034 YAXCHNSTEQVJLO-WDEREUQCSA-N 342.383 3.042 30 40 EGEB CSC(/N=C\N(C)C)=N/N=C(/C)c1ccc(Br)cc1 104244924 ZVFBGKJLSGQLKE-NMLCRSTLSA-N 341.278 3.482 30 40 EGEB CCCOc1ccc(/C=N/Nc2nc(C)cc(=O)[nH]2)c(OCCC)c1 12564079 LHSFSYWUKRYZOO-XDHOZWIPSA-N 344.415 3.102 30 40 EGEB N#Cc1ccc(CNC(=O)NCc2ccc(OC(F)F)cc2)c(F)c1 75584459 RCPOSHKGYKOQJW-UHFFFAOYSA-N 349.312 3.298 30 40 EGEB N#Cc1ccc(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)cc1 58267185 XQAFFXBCGYBXKL-INIZCTEOSA-N 339.464 3.262 30 40 EGEB N#Cc1cccc(NCC(=O)Nc2ccccc2Br)c1 3304976 BFCOKZTWKMYOKJ-UHFFFAOYSA-N 330.185 3.371 30 40 EGEB C=CCO[C@@H](C)C(=O)Nc1cc(C(=O)N(C)C(C)C)ccc1Cl 69456307 PDEPPPXGZSKGHA-LBPRGKRZSA-N 338.835 3.350 30 40 EGEB COc1cc(OC)c(/C=N/OCc2cccc([N+](=O)[O-])c2)c(OC)c1 408594071 RXISEJSYIXQWSB-VCHYOVAHSA-N 346.339 3.171 30 40 EGEB COC(=O)c1ccc(OCc2cn3ccccc3c2C#N)c(OC)c1 14902653 SWKMGNORBCXKCC-UHFFFAOYSA-N 336.347 3.185 30 40 EGEB CC(=O)N[C@H](C(=O)Nc1ccccc1SC[C@@H](C)C#N)C(C)C 71888207 XMEXYYXVBVZVHW-LRDDRELGSA-N 333.457 3.038 30 40 EGEB C=CCN(C(=O)c1c(C)noc1C)[C@H]1CCN(Cc2ccccc2)C1 72275024 QZWQJRYHLIYTRK-SFHVURJKSA-N 339.439 3.194 30 40 EGEB Cc1nn(C)c(C)c1-c1cc(C(=O)O[C@H](C)c2ccc(C#N)cc2)[nH]n1 79014817 XTHIIICSGWWZKZ-CYBMUJFWSA-N 349.394 3.217 30 40 EGEB C/N=C(\NCc1coc(-c2ccccc2)n1)NCC(C)(C)SC 85033183 IXACRCHELNEBHE-UHFFFAOYSA-N 332.473 3.148 30 40 EGEB COc1ccc(S(=O)(=O)/N=C(\O)C=C(C)C)cc1Br 66741705 CMHRXKTUWUQXSU-UHFFFAOYSA-N 348.218 3.069 30 40 EGEB O/N=C(/CN1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1 31667153 KLDWIXPULQEEPN-ZZEZOPTASA-N 329.831 3.341 30 40 EGEB Cc1ccc(C(=O)NCCCc2cn[nH]c2)cc1C#Cc1ccccc1 257316828 VHENDVIQBNDTOO-UHFFFAOYSA-N 343.430 3.481 30 40 EGEB O=C(CO/N=C/c1ccc(Cl)cc1)Nc1ccccc1C(=O)O 3147816 ZWJIQVQGYUDYJX-GIJQJNRQSA-N 332.743 3.027 30 40 EGEB N#Cc1ccc(/C=N/c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 358287 CAMALQVKZUHAEK-XSFVSMFZSA-N 339.420 3.093 30 40 EGEB CC1=NN(c2ccccc2)C(=O)/C1=N/Nc1ccc2ncsc2c1 100844073 NYGFUDLHHAQFOU-CAPFRKAQSA-N 335.392 3.487 30 40 EGEB COc1ccc(OC/C(O)=N/S(=O)(=O)c2cc(C)ccc2C)cc1 46929283 GADYOKFXIFTUFR-UHFFFAOYSA-N 349.408 3.036 30 40 EGEB CCOC(=O)c1ccc(/N=C\c2ccc(OCC(=O)OC)cc2)cc1 100216251 HQHKWPWVBNDKRG-NDENLUEZSA-N 341.363 3.166 30 40 EGEB C=CCCO[C@@H](C)C(=O)NCc1ccnc(OCc2ccccc2)c1 58405107 HRCQBTGXHPZBKY-INIZCTEOSA-N 340.423 3.258 30 40 EGEB Cc1c(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)oc2c1C(=O)CCC2 48813661 ULPVDJHQCUZNSF-LLVKDONJSA-N 333.347 3.473 30 40 EGEB Cc1c(CCC#N)c(NCCN(C)C)n2c(nc3ccccc32)c1C#N 4115347 JVNCOIPDPSVSPJ-UHFFFAOYSA-N 346.438 3.097 30 40 EGEB CCSC1=N/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)S1 5151560 WFPJOZUHIGEYJT-BAQGIRSFSA-N 338.366 3.047 30 40 EGEB CN(C)c1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 4357596 MOEVHZJSIWNQEL-MHWRWJLKSA-N 329.316 3.015 30 40 EGEB COc1ccc([C@@H]2CCCN2c2ncnc3c2cnn3CCC#N)cc1 65519863 ZOELHXLBGSOBAY-KRWDZBQOSA-N 348.410 3.090 30 40 EGEB C=CCO[C@@H](C)C(=O)N1CCC(c2c[nH]c3ccc(OC)cc23)CC1 65576081 YZIMETJXUIDYBJ-AWEZNQCLSA-N 342.439 3.474 30 40 EGEB N#Cc1cccc(C(=O)Nc2ccccc2C(=O)NC2CCCC2)c1 14232466 KDHOIDUKLARQKU-UHFFFAOYSA-N 333.391 3.483 30 40 EGEB Oc1ccc(/C=N/Nc2ccnc3cc(Cl)ccc23)c(O)c1O 4965504 KXRREBPUFAMIRF-UFWORHAWSA-N 329.743 3.451 30 40 EGEB N#CCOc1ccc(Cl)cc1CN1CCC[C@@H](c2ccn[nH]2)C1 72287162 HKBOBJBIJVOCJP-CYBMUJFWSA-N 330.819 3.345 30 40 EGEB C=CCc1cc(C(=O)NCc2nc(-c3ccccc3)no2)ccc1OC 78579433 PHMCJWPQJABEHM-UHFFFAOYSA-N 349.390 3.404 30 40 EGEB Cc1cc(N2CCOCC2)ccc1/C=N/Nc1ccc([N+](=O)[O-])cc1 409066973 MZLNPQCGUJECHZ-CPNJWEJPSA-N 340.383 3.186 30 40 EGEB C=CCc1cc(/C=C2/SC(=S)N(C)C2=O)cc(OC)c1OC 409345285 KVUFWFMWULTMAR-UKTHLTGXSA-N 335.450 3.263 30 40 EGEB Cc1cc(/C=N/c2ccccc2N2CCOCC2)c(O)c([N+](=O)[O-])c1 32115116 KEZIXHILGHRPJW-XDHOZWIPSA-N 341.367 3.196 30 40 EGEB C[C@@H](Nc1cnn(Cc2ccccc2)c1)C(=O)Nc1ccccc1C#N 97377330 WCZFHSNVWQCSMW-OAHLLOKOSA-N 345.406 3.242 30 40 EGEB N#Cc1ccc(C(=O)/N=c2\[nH]c3ccccc3n2C2CCCC2)nc1 96419187 OJAGWIBQMPFBII-UHFFFAOYSA-N 331.379 3.092 30 40 EGEB C/N=C(/O)Nc1cccc(N=C(O)c2ccc([N+](=O)[O-])c(OC)c2)c1 330033348 ZMPBLVVANLTPRA-UHFFFAOYSA-N 344.327 3.195 30 40 EGEB COc1ccc(C(=O)/C=C/c2cc(OC)c(OC)cc2OC)c(O)c1 29054433 AXUGKAPKSQUOCO-VMPITWQZSA-N 344.363 3.323 30 40 EGEB N#Cc1ccc(NC(=O)CCCC(=O)Nc2ccc(C#N)cc2)cc1 143509 WHTXRTNDGWNFGV-UHFFFAOYSA-N 332.363 3.177 30 40 EGEB Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)no1 100871159 ZXXLBWWVGFILAS-SECBINFHSA-N 338.150 3.251 30 40 EGEB COc1cccc(Cn2cc(NC(=O)c3cccc(C#N)c3)cn2)c1 28220754 PUMGBRFADNBRBN-UHFFFAOYSA-N 332.363 3.064 30 40 EGEB CCN(CC)c1ccc(/N=C/c2ccccc2OCC(N)=O)cc1 100384118 WXEXKEUVSLEVRT-FYJGNVAPSA-N 325.412 3.148 30 40 EGEB CCCCCCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl 102629099 MVYIHCHDVKKQJZ-UHFFFAOYSA-N 334.825 3.497 30 40 EGEB COc1ccc([C@H]2CCCN2S(=O)(=O)c2cccc(C#N)c2)cc1 12910688 ZFCLUIHHDFJANW-GOSISDBHSA-N 342.420 3.093 30 40 EGEB CCNC(=O)COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1 65594868 SMQMPGNWQXWAMV-BJMVGYQFSA-N 345.345 3.376 30 40 EGEB N#Cc1cccc(S(=O)(=O)Nc2cc(Cl)c(N)c(Cl)c2)c1 5336176 GVBGYWJZRCMDPL-UHFFFAOYSA-N 342.207 3.248 30 40 EGEB C[C@](C#N)(NC(=O)CSc1ccc(Br)cc1)C1CC1 5738347 YEEAUZMVHRNKFU-CQSZACIVSA-N 339.258 3.350 30 40 EGEB C=CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1C1CC1 9390061 OZOFBSSIWHCAOY-UHFFFAOYSA-N 332.404 3.211 30 40 EGEB COc1cccc(Cc2nnc(NC(=O)C3(C#N)CCCC3)s2)c1 71884484 XTBZUJSNMAEZBH-UHFFFAOYSA-N 342.424 3.160 30 40 EGEB N#Cc1ccc(N2CCC[C@H](N3CCCC3=O)C2)c(C(F)(F)F)c1 77966346 VUFZTEGMQIOQAL-ZDUSSCGKSA-N 337.345 3.168 30 40 EGEB COc1ccc(Cl)cc1-c1cc(NC(=O)c2cc(C#N)c[nH]2)[nH]n1 78997086 PZWIPPGIGQJJKK-UHFFFAOYSA-N 341.758 3.191 30 40 EGEB CSc1ccc(/C=[N+](\[O-])[C@H]2SC(=S)N(C)C2(C)C)cc1 13756849 RVFFJJITOVMDLG-PFSWGADMSA-N 326.512 3.406 30 40 EGEB N#Cc1c(Br)cccc1NCC(=O)NC1CCCCC1 615278399 RGKFFQGJKQMDKD-UHFFFAOYSA-N 336.233 3.182 30 40 EGEB CCN(Cc1cn2ccccc2c1C#N)C[C@@H]1COc2ccccc2O1 32888211 ILZNQNKDMWWZFE-QGZVFWFLSA-N 347.418 3.473 30 40 EGEB N#Cc1ccc(F)c(CN2CCC(C(=O)N3CCCCCC3)CC2)c1 22516223 UZWQFPRTOPMNNQ-UHFFFAOYSA-N 343.446 3.312 30 40 EGEB N#Cc1csc(CN2CCC(C(=O)NCc3ccccc3)CC2)c1 96489504 CFSOZMZJEMWFQB-UHFFFAOYSA-N 339.464 3.148 30 40 EGEB C[C@@H](Oc1ccc(Cl)cc1Br)/C(O)=N/c1ncn[nH]1 23140759 CPLFOFZEKLIWCC-ZCFIWIBFSA-N 345.584 3.276 30 40 EGEB Cc1cccc(/N=C2\NN=C(c3ccc4c(c3)OCCO4)CS2)c1 5861169 VQXINDZZIBHENY-UHFFFAOYSA-N 339.420 3.494 30 40 EGEB C=CCNC(=O)c1ccn(COc2c(Cl)cccc2Cl)n1 28236104 YYGGOGTYRSFAMA-UHFFFAOYSA-N 326.183 3.142 30 40 EGEB Cc1cccc(OCCC(=O)N(CCC#N)Cc2cccnc2)c1C 69589011 WEVZFTKVFMCHIP-UHFFFAOYSA-N 337.423 3.410 30 40 EGEB COc1cc(C#N)ccc1OCCn1c([C@H](C)O)nc2ccccc21 97082414 IRGNAGDJUOWASE-ZDUSSCGKSA-N 337.379 3.049 30 40 EGEB C/N=C(/NCCc1ccc(C(F)(F)F)cc1)NCc1ccccn1 95948123 SVMNCXAKGKJQHP-UHFFFAOYSA-N 336.361 3.008 30 40 EGEB Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)C2(C#N)C#N)cc1 218333587 HYTCXPSEGUVVFU-MSOLQXFVSA-N 336.416 3.277 30 40 EGEB CC[C@@H](C(=O)NCC#CCN1CCc2ccccc2C1)c1ccccc1 75165012 XUDQWKXUYXOFSD-JOCHJYFZSA-N 346.474 3.358 30 40 EGEB COc1ccc(-n2nc(C#N)c(N3CC[C@@H](c4ccccc4)C3)n2)cc1 256049309 ZHAFFARERDSGSX-MRXNPFEDSA-N 345.406 3.141 30 40 EGEB C=CC[C@H]1N(C(=O)c2ccc(OCC(=O)O)cc2)CCCC1(C)C 621540477 ZTKNTERJFDKFQA-MRXNPFEDSA-N 331.412 3.357 30 40 EGEB C=CCNC(=S)N/N=C/c1cc(C)n(-c2ccc(OC)cc2)c1C 15012183 DXQKNBHIKGFTDH-UDWIEESQSA-N 342.468 3.087 30 40 EGEB Cc1nn(-c2ccccc2)cc1C(=O)[C@H](C#N)C(=O)c1ccoc1C 100700553 SGOADARXSOSQKH-MRXNPFEDSA-N 333.347 3.288 30 40 EGEB N#Cc1ccnc(S[C@@H](C(N)=O)c2ccc(Br)cc2)c1 69621682 DLFLNCRSLPTNBK-CYBMUJFWSA-N 348.225 3.034 30 40 EGEB COc1ccc(C(=O)/C=C/c2cc(OC)c(O)c(OC)c2)c(OC)c1 7717933 DDOJUXVSITTXLC-VMPITWQZSA-N 344.363 3.323 30 40 EGEB C[C@H]1C[C@H]1c1ccc(CN(C)S(=O)(=O)c2ccc(C#N)cc2)o1 22246411 JWPAPAPCJDVGQK-BLLLJJGKSA-N 330.409 3.095 30 40 EGEB N#CCCN(C(=O)COC(=O)CCC1CCCC1)c1ccccc1 3219497 ICMDOEIOIIDFKU-UHFFFAOYSA-N 328.412 3.447 30 40 EGEB N#CCC[C@H](C#N)Cn1nc(-c2ccccc2)cc(C(F)(F)F)c1=O 25239924 JMYOVTQPVUWPTM-GFCCVEGCSA-N 346.312 3.373 30 40 EGEB C[C@H](NCc1cccc(OCCCC#N)c1)c1nnc2n1CCCC2 89913865 KORPASAVQMRJBN-HNNXBMFYSA-N 339.443 3.148 30 40 EGEB N#Cc1ccccc1N1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 65497273 PJYMLKCAVJJBQX-WOJBJXKFSA-N 345.446 3.401 30 40 EGEB N#Cc1cnn(-c2ccc(C(=O)N(C3CCCCC3)C3CC3)cc2)c1N 66241057 KYNZAHSXZBHEJB-UHFFFAOYSA-N 349.438 3.263 30 40 EGEB C#CCOc1ccc(/C=C2/SC(=S)N(CCC)C2=O)cc1OC 409329362 FAKMOPVMHFIIOW-RVDMUPIBSA-N 347.461 3.318 30 40 EGEB CS(=O)(=O)c1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1F 78876748 JELMBNHBIFYBCT-XBXARRHUSA-N 349.339 3.034 30 40 EGEB CC(C)c1cc(N(C)CC(=O)N(CCC#N)c2ccccc2F)n[nH]1 72296446 VJIVMSNEFMFKAS-UHFFFAOYSA-N 343.406 3.055 30 40 EGEB Cc1ccc(-c2ccc(C(=O)NCC3CCN(CC#N)CC3)s2)o1 97081725 AHHRLHPTHHNYPW-UHFFFAOYSA-N 343.452 3.282 30 40 EGEB N#CC1(C#N)[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccccc1 218341398 PQLQJQAZOTUGKG-JKSUJKDBSA-N 342.807 3.313 30 40 EGEB C=CCc1cc(C(=O)NCCOc2cccc(OC)c2)ccc1OC 224126571 RORGDHXYVMOCSY-UHFFFAOYSA-N 341.407 3.241 30 40 EGEB N#Cc1cccnc1N1CCCN(c2cccc(C(F)(F)F)n2)CC1 96402620 VULIFHDKBDADHT-UHFFFAOYSA-N 347.344 3.084 30 40 EGEB N#Cc1cccc(C(=O)NCCc2nc(C(F)(F)F)cs2)c1 96432847 LJUIYPAELZUERZ-UHFFFAOYSA-N 325.315 3.006 30 40 EGEB CCOc1ccccc1-n1nc(C#N)c(N(C)Cc2ccccc2)n1 256046024 CGAUWDLYBGRCFH-UHFFFAOYSA-N 333.395 3.174 30 40 EGEB CC1(C)Oc2ccc(NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)cc2O1 280855694 QFJZKRRNYZQAJY-OAHLLOKOSA-N 347.374 3.387 30 40 EGEB CC(C)N(c1cccc(C#N)c1)S(=O)(=O)c1cccc(F)c1F 68918923 RZKBIRFUCSISEN-UHFFFAOYSA-N 336.363 3.440 30 40 EGEB Cc1cc(C)c2c(c1)OC/C(=C\c1cnc(N3CCCC3)nc1)C2=O 63411750 AELRQNGPQLXBFK-CXUHLZMHSA-N 335.407 3.352 30 40 EGEB COc1ccc2c(CC(=O)Oc3ccc(C#N)cc3OC)coc2c1 5511455 NXPHSNJTMRFAAA-UHFFFAOYSA-N 337.331 3.470 30 40 EGEB Cc1s/c(=N\N=C2/C(=O)Nc3ccccc32)[nH]c1-c1ccccc1 17221905 USXOITDPJWYMAG-UHFFFAOYSA-N 334.404 3.309 30 40 EGEB N#Cc1cc(F)ccc1NC(=O)[C@H]1CC(O)=Nc2nc3ccccc3n21 85556114 CTDNDAFASHHEAQ-OAHLLOKOSA-N 349.325 3.219 30 40 EGEB N#C[C@H](NC(=O)Cc1cc(-c2ccccc2)on1)c1ccccc1F 81342670 SLCGHBSFXRDZEB-KRWDZBQOSA-N 335.338 3.404 30 40 EGEB C=CCOc1c(Cl)cc(C(=S)N2CCOCC2)cc1OCC 6844742 RKTCVXRLKLOAEP-UHFFFAOYSA-N 341.860 3.311 30 40 EGEB N#Cc1ccc(CN2CCCN(C(=O)c3cccc(F)c3)CC2)cc1 23450950 YQXIXLMLTSMVPM-UHFFFAOYSA-N 337.398 3.045 30 40 EGEB N#CCc1ccc(OC[C@@H](O)CN2CCC[C@@H]2c2cccs2)cc1 25229122 HCZQTRLDYKKAFJ-FUHWJXTLSA-N 342.464 3.391 30 40 EGEB N#Cc1ccccc1N1CCCN(CCC(=O)Nc2ccccc2)CC1 52801290 CJMWZGWPNHVMKT-UHFFFAOYSA-N 348.450 3.099 30 40 EGEB Cc1cccc(N(CCC#N)S(=O)(=O)c2ccc3c(c2)COC3)c1 70038318 KINSZONNVQZVDG-UHFFFAOYSA-N 342.420 3.134 30 40 EGEB CN(C(=O)c1cnn(Cc2ccccc2Cl)c1)C1(C#N)CCC1 66322653 RVULWWYQJALGTR-UHFFFAOYSA-N 328.803 3.103 30 40 EGEB C=CCNC(=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1 71795657 KCYKXDHFBRAARH-UHFFFAOYSA-N 327.359 3.314 30 40 EGEB N#Cc1ccc(OCCNc2ncnc3cc(F)c(F)cc23)cc1 78403718 DWVWLVPBGFJMGJ-UHFFFAOYSA-N 326.306 3.271 30 40 EGEB Cc1nc(C(=O)O[C@H](C)COc2cccc(C#N)c2)c2n1CCCC2 95416859 UXZTVIIUMISEFG-CYBMUJFWSA-N 339.395 3.024 30 40 EGEB Cc1cc(N[C@@H]2CCCn3ncnc32)n2c(nc3ccccc32)c1C#N 75108463 WONKLGHTNYTQFT-OAHLLOKOSA-N 343.394 3.206 30 40 EGEB CO[C@@H](C)c1cccc(N[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)c1 79354972 SFMJWYZHWXKJOG-IFXJQAMLSA-N 335.407 3.483 30 40 EGEB COCc1c([N+](=O)[O-])c(/C=C/c2ccc(Cl)cc2)[nH]c(=O)c1C#N 96234365 NMULVVPGGIAKDZ-QPJJXVBHSA-N 345.742 3.125 30 40 EGEB C=CCO[C@H]1CC2(CCN(C(=O)N(C)C)CC2)c2cc(F)ccc21 96241688 LKMUODSNHPBOCF-KRWDZBQOSA-N 332.419 3.488 30 40 EGEB C=CCN1C(=O)CCC[C@]12CCCN(C(=O)Nc1ccccc1)C2 96229937 FDCRLMTUOZWABE-LJQANCHMSA-N 327.428 3.252 30 40 EGEB CN(C)c1cccc(/C=C/C(=O)C(C(=O)O)=C2SCCS2)c1 96794 QVQCUAVWENGVCU-VOTSOKGWSA-N 335.450 3.111 30 40 EGEB C[C@]12CN(C(=O)c3cccc([N+](=O)[O-])c3)[C@]3(C#N)C[C@H]1CC[C@]23C 5050579 VVPWYMMLGFSQBL-RNJTYBCJSA-N 325.368 3.139 30 40 EGEB Oc1cccc(/C=N\n2c(S)nnc2-c2ccc(Cl)cc2)c1 1241420 PIIYOZQJGPXARV-MFOYZWKCSA-N 330.800 3.475 30 40 EGEB Cc1cccc(OC[C@@H]2CCCN(C(=O)c3cccc(C#N)c3)C2)n1 1775969596 ZPZYSJTYTFAJMO-QGZVFWFLSA-N 335.407 3.193 30 40 EGEB CN1CCC[C@H](CNC(=O)CC#N)[C@@H]1c1ccc(C(F)(F)F)cc1 97097370 IUTFNYLRVBHGPW-CJNGLKHVSA-N 339.361 3.118 30 40 EGEB CCOc1ccc(N/C(O)=N/S(=O)(=O)c2ccc(C)cc2)cc1 213786 SJUUIIOLCKBGFU-UHFFFAOYSA-N 334.397 3.109 30 40 EGEB COc1ccc2c(c1)CC/C(=C\c1ccc(OCC(=O)O)cc1)C2=O 96792355 OTTAFARUUFERHR-XNTDXEJSSA-N 338.359 3.371 30 40 EGEB N#Cc1nc(C2CC2)oc1N1CCN(Cc2cc(F)ccc2F)CC1 52638249 VLPYFUZXRBKNLJ-UHFFFAOYSA-N 344.365 3.024 30 40 EGEB N#C[C@H](NC(=O)c1n[nH]c2c1CCC2)c1cccc(Cl)c1Cl 108818841 SIGBZGMLADNCTJ-LBPRGKRZSA-N 335.194 3.200 30 40 EGEB Cc1ccc(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)nc1 58433865 CLCRFBUVNAVDTE-UHFFFAOYSA-N 336.395 3.056 30 40 EGEB Sc1nncn1/N=C/c1ccc(COc2ccc3c(c2)CCC3)o1 36611069 ORMCBFNQTUKJEJ-DJKKODMXSA-N 340.408 3.110 30 40 EGEB Cc1cc(NC(=O)c2ccc(-n3cccc3)c(F)c2)n(CCC#N)n1 69807655 BCDRNAMGYAQDAO-UHFFFAOYSA-N 337.358 3.287 30 40 EGEB C#CCN1CCC(C(=O)Nc2ccc(Oc3ccc(C)cn3)cc2)CC1 72282029 CCUKMCLRFJXYQD-UHFFFAOYSA-N 349.434 3.466 30 40 EGEB C#CCCN1CCC(NC(=O)c2cc(C3CC3)nc3ccccc23)CC1 72293045 IWIGSQUKWIMMER-UHFFFAOYSA-N 347.462 3.330 30 40 EGEB N#C[C@@H](NC(=O)C[C@@H]1CSCCS1)c1cccc(Cl)c1 95433626 XJFLDLQBTPBVHY-CHWSQXEVSA-N 326.874 3.260 30 40 EGEB Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccc(C#N)cc3)c12 27984880 CFCFKLQUUJKFLA-UHFFFAOYSA-N 331.379 3.278 30 40 EGEB CCN1C(=O)/C(=C/c2ccc(OCC#N)c(Cl)c2)SC1=S 409004977 CPAXUGWRABAYGU-WQLSENKSSA-N 338.841 3.463 30 40 EGEB CC[C@H](C(=O)NCC#CCN1CCc2ccccc2C1)c1ccccc1 75165010 XUDQWKXUYXOFSD-QFIPXVFZSA-N 346.474 3.358 30 40 EGEB NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1C1CCCC1 96551388 OPNCZUOFOZOAEU-UHFFFAOYSA-N 325.437 3.265 30 40 EGEB Cc1cnn(-c2cc(N/N=C/c3c(O)ccc4ccccc34)ncn2)c1 4595716 BJADXTCJMUVHLL-LSHDLFTRSA-N 344.378 3.276 30 40 EGEB C#CCN1CCC(C(=O)Nc2ccc(Br)c(C)c2)CC1 50027112 AATZBNIKQDBAPE-UHFFFAOYSA-N 335.245 3.041 30 40 EGEB CN1C(=S)S[C@H](/[N+]([O-])=C/c2c(F)cccc2Cl)C1(C)C 70509 FNQWFDOWZAVOAG-XAXWUXFESA-N 332.853 3.477 30 40 EGEB C=CCn1/c(=N/C(=O)c2ccco2)sc2cc(C(=O)OC)ccc21 100874203 KLLWPVIDHMACGB-ZCXUNETKSA-N 342.376 3.010 30 40 EGEB N#C[C@@H](Cc1cccnc1)C(=O)Nc1ccccc1Br 419714 LRYAVBUNBYKZQI-GFCCVEGCSA-N 330.185 3.165 30 40 EGEB CC(C)(C)OC(=O)N1CCC[C@H](CCNC(=O)C2(C#N)CCCC2)C1 69665625 DHMAOPKBCRDFJL-OAHLLOKOSA-N 349.475 3.224 30 40 EGEB CCOc1ccccc1OCC(=O)Nc1ccc(OCC#N)cc1 23150963 NIYUSLIMOLKIDV-UHFFFAOYSA-N 326.352 3.005 30 40 EGEB C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1cccs1 2358017 BHVBNDGKICISCK-AWEZNQCLSA-N 348.449 3.128 30 40 EGEB Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NC1(C#N)CCC1 63476974 VGTDQTVRQJIXPK-UHFFFAOYSA-N 329.400 3.358 30 40 EGEB COc1cc(OC)c(/C=N/Nc2nc3ccccc3[nH]2)c(OC)c1 5070928 GWYHAIRZTZGGGL-VCHYOVAHSA-N 326.356 3.035 30 40 EGEB O=C(O)c1ccccc1/C=N/n1cnnc1SCc1ccccc1 5486735 HAPLPGRRTZPILX-VXLYETTFSA-N 338.392 3.151 30 40 EGEB Cc1cc(-c2nnc(S)n2/N=C/c2cccc3ccccc23)[nH]n1 5625935 ZFNHUWDGUYGHMM-VCHYOVAHSA-N 334.408 3.301 30 40 EGEB C=CCN(c1ccccc1)S(=O)(=O)c1cccc2nsnc12 19079079 NQQARSLPAGXCTH-UHFFFAOYSA-N 331.422 3.073 30 40 EGEB CC(C)(C)n1cc(C#N)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 71887967 IVHJYOJRFXTTMS-UHFFFAOYSA-N 326.356 3.204 30 40 EGEB COCc1cc(C)nc(SCc2ccc(C(=O)OC)cc2)c1C#N 409181196 YWGSBZAWAJNRSV-UHFFFAOYSA-N 342.420 3.487 30 40 EGEB C=CCNC(=O)Nc1cccc(COc2ccc3c(c2)OCO3)c1 42925321 LHZGBGRGHFWQMM-UHFFFAOYSA-N 326.352 3.302 30 40 EGEB C=CCN(c1ccccc1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225016243 JMCOFQXEEYBVBY-UHFFFAOYSA-N 332.381 3.285 30 40 EGEB N#C[C@H](C(=O)NC1CCCCC1)C(=O)c1ccn(Cc2ccccc2)c1 390833219 DVRUWMRZEABMIR-IBGZPJMESA-N 349.434 3.308 30 40 EGEB C=CCc1cc(OC)ccc1OC[C@@H](O)CN1C[C@@H](C)C[C@@H](C)C1 4263710 UQCLISNAFXATMP-JZXOWHBKSA-N 333.472 3.141 30 40 EGEB C=CCOc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@H](O)[C@@H]2O 8299177 GVKVGOGUDSJCLX-CEGNMAFCSA-N 328.452 3.439 30 40 EGEB Nc1cccc(C(=O)OC/C(=N/O)c2ccc(Br)cc2)c1 102519869 HWGCNYNSAKJKQV-JXAWBTAJSA-N 349.184 3.067 30 40 EGEB CCCc1noc([C@@H](C)N2CCCN(c3ccccc3C#N)CC2)n1 52801460 CWGJADQZYZWQIO-OAHLLOKOSA-N 339.443 3.167 30 40 EGEB COC(=O)c1ccc(C)c(/N=C/c2ccc(O[C@H](C)C(=O)O)cc2)c1 59303011 FUNSEFJHFQXTNH-AYPRBGQRSA-N 341.363 3.384 30 40 EGEB C[C@@H]1C[C@@H]1c1ccc(CN(C)C[C@H](O)COc2ccc(C#N)cc2)o1 34872538 DBVMUYJRUCBCAP-ALKREAHSSA-N 340.423 3.146 30 40 EGEB N#Cc1cccc(C(=O)NC[C@@H](O)c2ccccc2C(F)(F)F)c1 58293248 BCLAEBKZLCHJJJ-OAHLLOKOSA-N 334.297 3.040 30 40 EGEB C=C(C)CN(CC)C(=O)COC(=O)c1ccc2ccccc2c1O 10491680 DLADQMPRKPIZIU-UHFFFAOYSA-N 327.380 3.127 30 40 EGEB CC(C)N(CC#CCC(O)(c1ccccc1)c1ccccc1)CCO 2279956 ZQRCXNHLRBVBKW-UHFFFAOYSA-N 337.463 3.019 30 40 EGEB CC(=O)Nc1ccc(/C=C/C(=O)c2ccc3c(c2)CCC(=O)N3)cc1 69567792 WNVPEDMPPDOIBI-ONNFQVAWSA-N 334.375 3.426 30 40 EGEB C=CCOc1ccccc1/C=c1\sc2nc3ccccc3n2c1=O 5517729 FXLBTISCWWOWEM-ATVHPVEESA-N 334.400 3.022 30 40 EGEB C=CCN1C(=O)S[C@@H](CC(=O)Nc2cccc3ccccc23)C1=O 4785177 DMTDWSVAZWBGRH-HNNXBMFYSA-N 340.404 3.418 30 40 EGEB C[C@H](CCc1cccn1C)NC(=O)c1ccccc1SCC#N 72297630 MESSOXALIPGWOR-CQSZACIVSA-N 327.453 3.392 30 40 EGEB C=CCc1cc(CO)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 409110285 AXHNTVOVXCYJDK-UHFFFAOYSA-N 329.352 3.403 30 40 EGEB Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(O)c(O)c3)S2)cc1 35644327 PFNZYNCDIHYOAZ-OQLLNIDSSA-N 326.377 3.298 30 40 EGEB C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nc3c(cc2C#N)CCC3)C1 215682598 VINHSZBNEYTQEN-CHWSQXEVSA-N 329.469 3.039 30 40 EGEB CSc1ccc([C@@H]2C3=C(CCCC3=O)Nc3c(C#N)cnn32)cc1 44918469 BUFGNJUJIAUHRX-QGZVFWFLSA-N 336.420 3.499 30 40 EGEB COc1cc(C#N)ccc1OCC(=O)N1CCc2sccc2[C@@H]1C 53373575 JFTWEMQGZHNFEP-LBPRGKRZSA-N 342.420 3.153 30 40 EGEB O=C1CN(/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)N1 8217176 MMPQMLRCSHSIGZ-UBKPWBPPSA-N 338.150 3.139 30 40 EGEB N#C[C@@]1(c2ccccn2)Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]21 5896641 MISRPTAWNSSWEW-RTBURBONSA-N 334.379 3.366 30 40 EGEB N#Cc1cc(-n2nnc3cc4ccccc4cc32)c([N+](=O)[O-])cc1C#N 4577511 YXDCJJZWLBMEPV-UHFFFAOYSA-N 340.302 3.225 30 40 EGEB CC(C)(C)NC(=O)[C@H](OC(=O)c1cccs1)c1ccc(C#N)cc1 4982340 SHWXRNGVINVCDI-OAHLLOKOSA-N 342.420 3.433 30 40 EGEB CCn1c(=O)c(/C=N/c2cccc([N+](=O)[O-])c2)c(O)c2ccccc21 103506716 KUJNOCXZFBQABC-YBFXNURJSA-N 337.335 3.386 30 40 EGEB CC(C)N(Cc1ccc(C#N)cc1)S(=O)(=O)c1cccc(C#N)c1 58278905 UNTVCBWNGPUCLX-UHFFFAOYSA-N 339.420 3.029 30 40 EGEB CCS(=O)(=O)Nc1ccc(C(=O)/C=C/c2ccc(OC)cc2)cc1 58370933 SPJBUNVJTZMGRO-AWNIVKPZSA-N 345.420 3.353 30 40 EGEB C#CCOc1ccc(/C=C2/S/C(=N/CC)N(CC)C2=O)cc1OC 408929811 OJDUPFFKCQQFEH-IRYZSLSISA-N 344.436 3.019 30 40 EGEB Cc1ccc(O)c([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]nc(O)c32)c1 18195585 MVADLTRLYGCRIR-CQSZACIVSA-N 339.395 3.330 30 40 EGEB COc1cc(/C=C/C(=O)c2ccc(N3CCOCC3)cc2)ccc1O 7587004 HJIIPHBNHWFLRK-KRXBUXKQSA-N 339.391 3.134 30 40 EGEB CC[C@@H](C)c1cc(C(=O)N[C@@H](C#N)c2cnn(-c3ccccc3)c2)on1 96423685 ZEAAQRSNTYUSNB-DYVFJYSZSA-N 349.394 3.368 30 40 EGEB Cc1nc(C)c(S(=O)(=O)/N=C(\O)[C@H](C)c2cccs2)s1 83150408 JNXFOSLZHVBCFT-SSDOTTSWSA-N 330.456 3.270 30 40 EGEB N#Cc1cccc(C#N)c1N1CCC(NCCOc2ccccc2)CC1 225512435 BGVRXMHCLZCQIJ-UHFFFAOYSA-N 346.434 3.067 30 40 EGEB CCOc1ccc(S(=O)(=O)N(CC)c2ccc(CC#N)cc2)cc1 224594770 MKMUITJUZIJCGY-UHFFFAOYSA-N 344.436 3.367 30 40 EGEB CC(C)(C)c1cc(NC(=O)CCn2ccccc2=O)c(C#N)s1 91208011 QUUKBMJYEBTCJX-UHFFFAOYSA-N 329.425 3.108 30 40 EGEB Cc1cccc(C/C(O)=N/S(=O)(=O)c2ccc(F)c(F)c2)c1 96403327 YIFBAVZPIGFFKS-UHFFFAOYSA-N 325.336 3.161 30 40 EGEB CCCc1nnc(S)n1/N=C/c1ccc(OC(C)C)c(OC)c1 5686293 BETBCCCNKMVZLF-LICLKQGHSA-N 334.445 3.197 30 40 EGEB C/C(=N\NS(=O)(=O)c1ccc(C)cc1)[C@H]1C[C@@H]1c1ccccc1 13655878 CYTXZSSGRJWZNE-IWBCJCCCSA-N 328.437 3.453 30 40 EGEB CC(=O)Nc1cc[n+]([C@H](C)C(=O)c2ccc(Br)cc2)cc1 4950127 RLJXMBCBFKLFOA-LLVKDONJSA-O 348.220 3.139 30 40 EGEB C=CCO[C@H]1[C@H]2CC[C@H]1N(C(=O)c1oc3ccccc3c1C)CCO2 107720929 LHRCDJWEVVJYEU-SZVBFZGTSA-N 341.407 3.316 30 40 EGEB N#Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)c1 32755116 CGQUXAROZWCGFK-AWEZNQCLSA-N 339.420 3.111 30 40 EGEB N#C[C@@H](Cc1ccccc1)NC(=O)Cc1ccccc1C(F)(F)F 89829938 UAVMTAYXHYWKQL-OAHLLOKOSA-N 332.325 3.499 30 40 EGEB N#Cc1cc(N)ccc1N1CCN(c2nsc3ccccc23)CC1 20135232 VUTFAWRUQSTJPK-UHFFFAOYSA-N 335.436 3.077 30 40 EGEB CC(=O)c1cccc2c1N/C(=C1/Nc3c(C(C)=O)cccc3C1=O)C2=O 102347655 NGHFBPAFTMSWPC-ISLYRVAYSA-N 346.342 3.220 30 40 EGEB COc1cccc(-c2nc(C(=O)[C@@H](C#N)c3ccccn3)c(C)[nH]2)c1 91438959 HGRHWKWCRVYJFE-HNNXBMFYSA-N 332.363 3.279 30 40 EGEB CS(=O)(=O)Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O 13477976 LLKOIOPUDUDOFR-FJGPGAONSA-N 342.372 3.197 30 40 EGEB Cc1c(/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)cccc1[N+](=O)[O-] 8427293 ODSIGHLYGOEUIO-VIZOYTHASA-N 346.255 3.176 30 40 EGEB Cc1ccc(N2C(=O)N(CCOc3ccc(C#N)cc3)C(=O)[C@@H]2C)cc1 8638207 AYSNHMPARIVTSZ-HNNXBMFYSA-N 349.390 3.103 30 40 EGEB O=S(=O)(/N=C/c1cc(Br)ccc1O)c1cccs1 18041725 RLJPAGCXRRUBGH-NTUHNPAUSA-N 346.227 3.024 30 40 EGEB CN(C)c1ccc(/C(N)=N/OCc2cc(-c3ccccc3)on2)cc1 71819409 FQULPOKEXOQUMV-UHFFFAOYSA-N 336.395 3.245 30 40 EGEB CN(C(=O)[C@H]1COc2ccccc2C1)c1cc(C#N)c2ccccc2n1 75141141 FCRVNMZVFOGHRB-MRXNPFEDSA-N 343.386 3.321 30 40 EGEB COc1ccsc1S(=O)(=O)N(CCC#N)c1ccc(C)cc1 95414623 XSNYCOMQGONTQV-UHFFFAOYSA-N 336.438 3.174 30 40 EGEB O=S(=O)(/N=C(\O)[C@@H]1CCCC[C@@H]1C(F)(F)F)N1CCCCC1 52794031 YAXCHNSTEQVJLO-MNOVXSKESA-N 342.383 3.042 30 40 EGEB N#CCOc1ccccc1/C=C1\S/C(=N/c2ccccc2)NC1=O 15229896 FOYBTEQJCDIYCP-VBKFSLOCSA-N 335.388 3.481 30 40 EGEB N#C[C@@H]1CCC[C@H]1NC(=O)Cc1c[nH]c2ccc(Br)cc12 585122038 LHTXEDRKLRJKMT-IINYFYTJSA-N 346.228 3.281 30 40 EGEB C=CCn1c(CCCNC(=O)COc2ccccc2)nc2ccccc21 2721549 JYHSYHYQZFGFBL-UHFFFAOYSA-N 349.434 3.350 30 40 EGEB CC(=O)O/N=c1\oc2ccccc2cc1C(=O)Nc1cccc(F)c1 20849194 ZCEROSFTJOPMNK-UZYVYHOESA-N 340.310 3.203 30 40 EGEB CC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)(c2ccccc2)CC1 32658921 SZVXNGVZOQQCPO-UHFFFAOYSA-N 347.418 3.077 30 40 EGEB C=CCOc1c(I)cc(/C=N\O)cc1OCC 100250391 KLKMXKOZSAKDFH-ZSOIEALJSA-N 347.152 3.063 30 40 EGEB Cc1nc(C(C)(C)C)sc1C(=O)[C@H](C#N)C(=O)N1CCCCC1 103718643 WZKWRRURAIXHGJ-LBPRGKRZSA-N 333.457 3.084 30 40 EGEB C=CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 23199923 JUJMHXMGUGXASJ-UHFFFAOYSA-N 330.409 3.026 30 40 EGEB CC(C)N1CC[C@H](NC(=O)C(C)(C)C#N)[C@H]1c1ccc(F)c(F)c1 108382000 NUYNQKPYNSNZRU-JKSUJKDBSA-N 335.398 3.155 30 40 EGEB COCc1cc(C)nc(SCC(=O)N(C)C2CCCCC2)c1C#N 10231430 HLJDIKRTVINQDN-UHFFFAOYSA-N 347.484 3.291 30 40 EGEB N#Cc1cc(F)c(NC2CCN(Cc3ccncc3)CC2)c(F)c1 58281412 JEWUSBSNRMGGJQ-UHFFFAOYSA-N 328.366 3.308 30 40 EGEB COc1ccccc1S(=O)(=O)N(CCC#N)c1cccc(C)c1 69967539 YYKAVLGXMVQPBS-UHFFFAOYSA-N 330.409 3.113 30 40 EGEB COc1ccccc1OCCC(=O)[C@H](C#N)c1nc2ccccc2[nH]1 6650446 DQGSXTYJHIGCGS-ZDUSSCGKSA-N 335.363 3.217 30 40 EGEB COc1cc(/C=C2\Oc3cc(O)cc(C)c3C2=O)cc(OC)c1OC 6624204 ZMWJTBGYWPWPFS-NSIKDUERSA-N 342.347 3.343 30 40 EGEB biogenic N#Cc1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc2c1CCCCC2 5631052 FUDLCZYASOUKOC-QWHCGFSZSA-N 344.436 3.494 30 40 EGEB CCCC/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)S1 5868251 CYGFGYXNJZTYIC-GFCCVEGCSA-N 339.848 3.056 30 40 EGEB C#CCN(CC#C)C(=O)c1sc(-c2ccc(OCC)cc2)nc1C 89991204 AKCMMCPOHDHPBC-UHFFFAOYSA-N 338.432 3.226 30 40 EGEB C=CCN(Cc1cccs1)C(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C 71803210 OFUFIWHNYXSHCO-HUUCEWRRSA-N 349.500 3.235 30 40 EGEB C[C@H](C[C@H](O)c1ccccc1)NC(=O)NCc1cc(C#N)ccc1F 95412565 MOYIHZJUUQPZLJ-ACJLOTCBSA-N 341.386 3.009 30 40 EGEB N#Cc1c(/C=C/c2cccs2)c(C(=O)O)nn(-c2ccccc2)c1=O 409197768 ONNKFOQWAVTWLW-CMDGGOBGSA-N 349.371 3.034 30 40 EGEB CCCCCOCC(=O)N1CCC(Nc2ccccc2C#N)CC1 585128705 LJGUCBRFMCHWQT-UHFFFAOYSA-N 329.444 3.168 30 40 EGEB CN1CCC[C@@H](CNC(=O)CC#N)[C@H]1c1ccc(C(F)(F)F)cc1 253369850 IUTFNYLRVBHGPW-XJKSGUPXSA-N 339.361 3.118 30 40 EGEB Cc1cc(C/N=C(\N)N[C@H](C)c2ccc(Cl)cc2Cl)no1 252489226 JLNDHZWGPSYUCB-SECBINFHSA-N 327.215 3.455 30 40 EGEB O=C1N/C(=N/c2ccccc2)S[C@@H]1Cc1ccccc1[N+](=O)[O-] 9058630 OFUSUYFICBTORD-CQSZACIVSA-N 327.365 3.057 30 40 EGEB CSc1nc2n(n1)[C@@H](c1cccnc1)C1=C(CC(C)(C)CC1=O)N2 9015927 HMXCOESTUYXCFL-AWEZNQCLSA-N 341.440 3.053 30 40 EGEB COc1cc2cc(C#N)c(SCC(=O)OC(C)C)nc2cc1OC 1355242 CBYMUVAYYUBWKV-UHFFFAOYSA-N 346.408 3.167 30 40 EGEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCCN(CC)CC)[C@H]3C[C@H]12 20612049 OZLBETOWSCJFKV-DRJBRKBZSA-N 348.531 3.232 30 40 EGEB biogenic C=CCc1cc(C(=O)Nc2ccc(OC)nc2)cc(OC)c1OC 16206386 AAJAZRPRHPDJCO-UHFFFAOYSA-N 328.368 3.088 30 40 EGEB Cc1c(CNC2CCN(CCc3ccccc3)CC2)cc(C#N)n1C 48363585 RSOULPNCTWPAKJ-UHFFFAOYSA-N 336.483 3.002 30 40 EGEB CC(C)c1ccc(/C=N/Nc2nnc(-c3ccccc3)c(=O)[nH]2)cc1 4338128 OXNRKLGCYIGYRH-UDWIEESQSA-N 333.395 3.401 30 40 EGEB COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCCCC#N 6440462 ZNHCGCUGCHOGGO-GXDHUFHOSA-N 348.449 3.209 30 40 EGEB COC(=O)c1ccc(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1 7667128 FMRJNPSBUGCLPB-UHFFFAOYSA-N 349.346 3.289 30 40 EGEB Cc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])c(C)n1-c1ccccn1 409095268 AKVGTYBNRYURJW-RGVLZGJSSA-N 336.355 3.238 30 40 EGEB COc1cc(/C=N/N2C(=O)C[C@H]2c2ccccc2)cc(OC)c1OC 71281872 HFNMDEWOVJANIC-SLDJAQPHSA-N 340.379 3.020 30 40 EGEB N#Cc1cccc(S(=O)(=O)N(Cc2ccc(F)cc2)C2CC2)c1 9365614 AANFSUSMWTYPGQ-UHFFFAOYSA-N 330.384 3.051 30 40 EGEB CSc1nc2n(n1)[C@@H](c1cccc(F)c1)C1=C(C[C@H](C)CC1=O)N2 22608399 VRQFHMCAQHQYJX-VFZGTOFNSA-N 344.415 3.407 30 40 EGEB CCO[C@]1(C(=O)Nc2ccc(OC(C)=O)cc2C#N)CCC[C@@H](C)C1 225833383 GGXFUKJTEMEVLY-BFUOFWGJSA-N 344.411 3.407 30 40 EGEB N#Cc1c(OCc2ccc(F)cc2)nn(Cc2ccc(F)cc2)c1N 225842928 WHEVUSKSWNMMCC-UHFFFAOYSA-N 340.333 3.242 30 40 EGEB C=C(C)C[C@@H](C)C(=O)N[C@@H](Cc1ccncc1)C(=O)OC(C)(C)C 585090866 SVBKWYCYNFDANG-ZBFHGGJFSA-N 332.444 3.053 30 40 EGEB N#Cc1cnc(SCc2ccccc2Oc2cccnc2)nc1N 50247239 JXYXVYZXHSBURV-UHFFFAOYSA-N 335.392 3.410 30 40 EGEB Cc1ccc(/C=C/C(=O)OCC(=O)Nc2cc(Cl)ccc2C#N)o1 6887200 LSHBMIYBBMJPDH-VOTSOKGWSA-N 344.754 3.308 30 40 EGEB COc1ccc(C(=O)[C@H](C#N)c2cc(OC)c(OC)c(OC)c2)cc1 96336535 ZROVILKKXRSBII-OAHLLOKOSA-N 341.363 3.211 30 40 EGEB CCCOc1ccccc1CCCCC/C(O)=N/S(C)(=O)=O 27644226 UDNMZEUQFKDINL-UHFFFAOYSA-N 327.446 3.494 30 40 EGEB Cc1nnsc1C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 36643815 KQFMVRIGBBJQJS-UHFFFAOYSA-N 327.394 3.094 30 40 EGEB N#Cc1ccc(CCC(=O)N2CCC([C@@H](O)c3ccccc3)CC2)cc1 31269446 PAVOWESQOSWJDG-QFIPXVFZSA-N 348.446 3.463 30 40 EGEB Cc1ccc([C@H]2C(C(N)=S)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 100684230 CJKSMIXGEGEQGJ-CQSZACIVSA-N 342.464 3.208 30 40 EGEB C[C@]1([N+](=O)[O-])C(=O)[C@@]2(N3CCCC3)CCC[C@H]2[C@H]1c1ccccc1 6482273 KSSSPCFEKYTAQE-QFHJOOASSA-N 328.412 3.023 30 40 EGEB N#CCc1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 8126802 RZUKORWLOJKJJC-UHFFFAOYSA-N 333.391 3.127 30 40 EGEB C=CCNC(=O)c1cc(Cl)c(=O)n(Cc2ccc(Cl)cc2)c1 3041774 PWGQDRJCRLGCMB-UHFFFAOYSA-N 337.206 3.119 30 40 EGEB C[C@H](C[C@H](O)c1ccco1)NC(=O)N[C@H](C)c1cccc(C#N)c1 107519111 KSMFDXYKMMYYLQ-IOASZLSFSA-N 327.384 3.024 30 40 EGEB Cc1nc(CSc2ccccc2/C(O)=N/S(C)(=O)=O)cs1 48480536 XMPPSQRYDOGQCJ-UHFFFAOYSA-N 342.467 3.008 30 40 EGEB COc1cc(/C=C/C(O)=N/S(C)(=O)=O)cc(Cl)c1OC(C)C 48479796 PETDVUSWTVUFSV-AATRIKPKSA-N 347.820 3.065 30 40 EGEB COc1ccc([C@@H](NS(=O)(=O)c2cccc(C#N)c2)C(C)C)cc1 12917091 SFWYTBVXWNVWRA-SFHVURJKSA-N 344.436 3.242 30 40 EGEB O=C(Oc1ccc2c(c1)O/C(=C\c1cccnc1)C2=O)c1ccncc1 13685307 UTFKBFSDEBWOGN-ZDLGFXPLSA-N 344.326 3.312 30 40 EGEB N#Cc1ccccc1NC(=O)COC(=O)C12CC3CC(CC(C3)C1)C2 5127249 CFPYPHMXMMXXRP-UHFFFAOYSA-N 338.407 3.256 30 40 EGEB O=C(/C=C/c1ccc(-n2cncn2)cc1)c1ccc(-n2ccnc2)cc1 72302510 VEFZIWZIMCIIDR-XCVCLJGOSA-N 341.374 3.349 30 40 EGEB CCn1c(SCC(=O)NC2(C#N)CCCC2)nc2ccccc21 4289600 ZGMRBTAQLJFHKW-UHFFFAOYSA-N 328.441 3.101 30 40 EGEB C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(OC)c(C)c1 224637534 RETVVTXRIMZLDA-UHFFFAOYSA-N 347.436 3.394 30 40 EGEB Cn1ccnc1Cn1c(C#N)cc(N)c1Oc1cccc(Cl)c1 225881796 FSFDYVXXBOTRLE-UHFFFAOYSA-N 327.775 3.169 30 40 EGEB C/N=C(\NCc1ccco1)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 195530942 QAWYGQLLILAITG-YOEHRIQHSA-N 346.500 3.089 30 40 EGEB C=CCN(C[C@H](C)c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 249195416 QGVDISCPZDGJIP-BBRMVZONSA-N 327.877 3.119 30 40 EGEB COc1ccc(/C=N/NS(=O)(=O)c2ccc3ccccc3c2)cc1 248146 DBODRWHQXQJUNM-CPNJWEJPSA-N 340.404 3.161 30 40 EGEB Cc1ccc(N(C)C(=O)C2CCN(c3ccc(C#N)cn3)CC2)c(C)c1 55851340 GHKWLEUCOQQPQZ-UHFFFAOYSA-N 348.450 3.450 30 40 EGEB COc1cc(/C=N\c2ccc3c(c2)OCO3)ccc1O[C@H](C)C(=O)O 409013134 MPKXOXYOOXMHBK-CZPFXKHOSA-N 343.335 3.026 30 40 EGEB Cc1ccc(NC(=O)C[n+]2cc(-c3ccccc3)n3c2CCC3)cc1 13768531 CQKUJPBQXMGIDK-UHFFFAOYSA-O 332.427 3.336 30 40 EGEB COc1cc(/C=N/O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 409044262 VAYGGCDMBNLAMZ-DJKKODMXSA-N 348.786 3.483 30 40 EGEB C=CCn1c(CNC(=O)c2ccc(Cl)c(Cl)c2)n[nH]c1=S 5444025 OYHMJPRNNBYDAJ-UHFFFAOYSA-N 343.239 3.363 30 40 EGEB C=CCc1nnc(NC(=O)Cc2coc3ccc(OC)cc23)s1 8915758 OPGRYSIYYGFPCM-UHFFFAOYSA-N 329.381 3.203 30 40 EGEB N#CCc1ccc(NC(=O)[C@@H]2CC(c3c(F)cccc3F)=NO2)cc1 72288297 KGQUWRCOWRCLBA-INIZCTEOSA-N 341.317 3.163 30 40 EGEB N#CC1(NC(=O)c2ccc(NC(=O)Nc3ccccc3)s2)CC1 75091964 SGHVNLSIRXWFJT-UHFFFAOYSA-N 326.381 3.178 30 40 EGEB CCOc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc1OCC 31342691 XHLRPBBIWPYPKS-ZDLGFXPLSA-N 330.344 3.233 30 40 EGEB C=C(C)CN(C)C(=O)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 96496815 KPOYTSUONUNJDZ-IRXDYDNUSA-N 345.487 3.013 30 40 EGEB C=CCOC(=O)c1c2c(n3ccc(C)cc13)C(=O)c1ccccc1C2=O 3635756 ZPZXQSGYQXSCTR-UHFFFAOYSA-N 345.354 3.366 30 40 EGEB C[C@@H]1Cc2ccccc2N1C(=O)C1CCN(c2ccc(C#N)cn2)CC1 40030851 GKADMKQYAGXWHY-OAHLLOKOSA-N 346.434 3.147 30 40 EGEB C=CCOc1ccccc1[C@H]1S[C@H](C)C(=O)Nc2[nH]nc(C)c21 6678647 GTSSDCFGWYKVNQ-IAQYHMDHSA-N 329.425 3.446 30 40 EGEB Cc1cc(C(=O)COc2ccc(C#N)cc2)c(C)n1C[C@@H]1CCCO1 2658569 CCIFKXOJXSWGTC-SFHVURJKSA-N 338.407 3.417 30 40 EGEB Cc1nc(C)c2c(N)c(C(=O)NC3(C#N)CCCCCC3)sc2n1 32929451 IDSRERNSXLLJPT-UHFFFAOYSA-N 343.456 3.237 30 40 EGEB O=C(/N=C1\c2ccccc2CN1c1ncccn1)c1ccccc1F 104778973 FLLMVQDYZUEWHG-HAVVHWLPSA-N 332.338 3.223 30 40 EGEB CCc1ccc(C[C@@H]2S/C(=N/N=C/c3ccccc3)NC2=O)cc1 16688907 HVPUXTSFDKHTLY-NNIWKIFQSA-N 337.448 3.413 30 40 EGEB N#Cc1cnc2ccccc2c1NCc1ccc(-n2cncn2)cc1 91432193 SVVUKUQCLCEZQA-UHFFFAOYSA-N 326.363 3.299 30 40 EGEB CCOc1ccc(C#N)cc1NC(=O)N[C@@H](C)c1c(C)nn(C)c1C 65417091 FNNRUKNZMMWJLF-NSHDSACASA-N 341.415 3.190 30 40 EGEB C=CCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccc(O)cc1 6744567 ZIJFYUMOHSBXJL-IBGZPJMESA-N 347.374 3.219 30 40 EGEB N#Cc1c(CN2CCC[C@H](c3noc(C4CC4)n3)C2)cn2ccccc12 72299937 QQWKFEXVRXSLLP-HNNXBMFYSA-N 347.422 3.451 30 40 EGEB N#Cc1cc(NCc2cccc(Cn3cncn3)c2)nc2ccccc12 72290337 DGRDJDHUVGUCPH-UHFFFAOYSA-N 340.390 3.358 30 40 EGEB C=CCN(C(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)c1ccccc1 22993974 MDMIZZJSLJAZTE-OAHLLOKOSA-N 338.382 3.398 30 40 EGEB O=C[C@H]1[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 225670666 URYHGLJASKDYSV-OWCLPIDISA-N 338.787 3.234 30 40 EGEB CCC(=O)N1CCCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 70040167 DSZVTFKWEMUIBJ-UHFFFAOYSA-N 325.334 3.026 30 40 EGEB N#Cc1ccc(C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)cc1 55553164 SIMJBCXPFMQTSI-UHFFFAOYSA-N 328.375 3.364 30 40 EGEB Cc1nnc(NCc2ccc(N3CCSCC3)cc2)c(C#N)c1C 44976737 PUITVOBPJZXWOU-UHFFFAOYSA-N 339.468 3.130 30 40 EGEB N#Cc1cccc(NC(=O)Nc2ccn(CCc3ccncc3)n2)c1 58329047 ORIYWDKLEKQURQ-UHFFFAOYSA-N 332.367 3.036 30 40 EGEB Cc1oc(-c2ccsc2)nc1CSc1ncc(C#N)c(N)n1 69434942 QBRVAMOGRFPWHI-UHFFFAOYSA-N 329.410 3.248 30 40 EGEB CCOc1ccc(N(CCC#N)C(=O)Cc2cn3ccccc3n2)cc1 69771478 WRRSOVZJWKCRNU-UHFFFAOYSA-N 348.406 3.222 30 40 EGEB C[C@H](CCc1ccccc1)NC(=O)CSc1ncccc1C#N 7051475 AREZINUIDFEROL-CQSZACIVSA-N 325.437 3.183 30 40 EGEB O=C(COc1ccccc1F)N1CCS/C1=N\Cc1ccccc1 7166549 MPQQBQJCOBMKPX-ZZEZOPTASA-N 344.411 3.336 30 40 EGEB C[C@H]1CN(C(=O)NCC#Cc2ccccc2)C[C@H](c2ccccc2)O1 67591315 FFSWFECADFKSLP-FXAWDEMLSA-N 334.419 3.210 30 40 EGEB CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1cc2ccccc2o1 9534981 YESLDYJUECJRDW-KPZWWZAWSA-N 328.368 3.033 30 40 EGEB C[C@H]1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1 71847887 MSYBVTOGNMKTJY-GOEBONIOSA-N 348.468 3.073 30 40 EGEB Cc1cccc2c(N3CCN(Cc4cccnc4)CC3)c(C#N)cnc12 75147154 IOEYIIYUCSTAHU-UHFFFAOYSA-N 343.434 3.132 30 40 EGEB CC(C)=CC(=O)NCc1ccc(C(=O)NCc2cccc(C#N)c2)cc1 96430574 MVUWTBTUKGOKKN-UHFFFAOYSA-N 347.418 3.071 30 40 EGEB CN1CCC[C@H](CNC(=O)CC#N)[C@H]1c1ccc(C(F)(F)F)cc1 253369849 IUTFNYLRVBHGPW-CZUORRHYSA-N 339.361 3.118 30 40 EGEB CCOC(=O)c1csc([C@@H](C#N)C(=O)/C=C/c2ccccc2)n1 67895684 PFVDWFYEAGGMIO-XEHSLEBBSA-N 326.377 3.209 30 40 EGEB O=c1c(Cl)c(N/N=C/c2ccc(O)cc2)cnn1-c1ccccc1 5776060 USKPOCXBSIPBQJ-VXLYETTFSA-N 340.770 3.038 30 40 EGEB C=CCSc1nnc(NC(=O)COc2cccc(Cl)c2)s1 16008207 WZXOBHRCPCCGFU-UHFFFAOYSA-N 341.845 3.487 30 40 EGEB Cc1nc(C2CC2)nc(N2CCN(Cc3ccc(C#N)cc3)CC2)c1C 1888854211 KFOFLJCRJCFKOG-UHFFFAOYSA-N 347.466 3.165 30 40 EGEB CC(=O)N1CCc2c(sc(NC(=O)C3CCCCC3)c2C#N)C1 6304732 NCMSUZBRGAPGNE-UHFFFAOYSA-N 331.441 3.043 30 40 EGEB Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)c2cccc(CC#N)c2)n1 71865534 GPYLSMDAXMIGSH-IBGZPJMESA-N 336.439 3.261 30 40 EGEB COc1cc(/C=C/C(=O)c2ccccc2C(=O)O)cc(OC)c1OC 12249736 IUNUCGJZOJONHZ-CMDGGOBGSA-N 342.347 3.307 30 40 EGEB CCOc1ccc(OCC)c(N/C(N)=N/Cc2ccc(Cl)nc2)c1 69702276 LSGJVCNHSVUWRX-UHFFFAOYSA-N 348.834 3.459 30 40 EGEB COC(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F 103546435 WATSXFGMAUAPDM-UHFFFAOYSA-N 340.088 3.058 30 40 EGEB N#CCCN(Cc1cccnc1)C(=O)CCn1ccc2ccccc21 58290762 ALHLREFDPWQGMB-UHFFFAOYSA-N 332.407 3.369 30 40 EGEB C=C(Cl)COC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 12790736 LLYHXBSLOVISRV-UHFFFAOYSA-N 346.814 3.422 30 40 EGEB COc1cc(/C=C/C(=O)c2cccc(N3CCOC3=O)c2)ccc1O 63556723 JBPZZKBWUOWNON-FNORWQNLSA-N 339.347 3.254 30 40 EGEB CC[C@H](C)n1nccc1NC(=O)[C@@H](C)N(C)Cc1cccc(C#N)c1 65590556 XKDHQIHYQHXENK-LSDHHAIUSA-N 339.443 3.185 30 40 EGEB CC(=O)c1ccc(C#N)cc1N1CCC(NC(=O)c2ccccc2)CC1 97081875 BBZHZUPDSUFGGT-UHFFFAOYSA-N 347.418 3.160 30 40 EGEB CC[C@@H](C)n1nccc1NC(=O)[C@H](C)Sc1cc(C#N)ccn1 95401154 JKDIKALNVIENRU-NEPJUHHUSA-N 329.429 3.240 30 40 EGEB C=CCNC(=O)c1ccccc1NC(=O)c1ccc(OC)c(F)c1 137311696 ZBIFHPFONVSSHF-UHFFFAOYSA-N 328.343 3.002 30 40 EGEB CCOc1ccc(S(=O)(=O)Nc2ccc(C3(C#N)CC3)cc2)cc1 223002302 YRWIKBSVZWKMOT-UHFFFAOYSA-N 342.420 3.441 30 40 EGEB CC/N=C(\NCc1cc(C)on1)NC[C@@H](C)c1ccc(F)c(F)c1 95407073 DPTGOPSDOWWCNY-LLVKDONJSA-N 336.386 3.120 30 40 EGEB Cc1cc(Sc2nnc(Cc3csc(C)n3)o2)c(C#N)c(C)n1 95430781 AZJGQPLKXPLHMF-UHFFFAOYSA-N 343.437 3.460 30 40 EGEB Nc1ncnc(N/N=C/c2ccc(C3=CCCC3)s2)c1[N+](=O)[O-] 5571830 WHCPVRGBXRQWQQ-CNHKJKLMSA-N 330.373 3.042 30 40 EGEB Cc1ccccc1NC(=O)C[C@H]1S/C(=N/C(C)C)N(C(C)C)C1=O 4553187 HHWYQWLXCLDFJL-AMGRQBIBSA-N 347.484 3.440 30 40 EGEB COc1cccc(Nc2c(C#N)c3c(c4nncn24)COC(C)(C)C3)c1 15106159 APXTVPLCANXYAP-UHFFFAOYSA-N 349.394 3.204 30 40 EGEB O=C1CCCC2=C1[C@H](c1cccc(Br)c1)n1ncnc1N2 67000 CPPMKZOWANCDIU-AWEZNQCLSA-N 345.200 3.063 30 40 EGEB CC(C)[C@](C)(C#N)NC(=O)CNc1ccccc1OCC(F)(F)F 40487702 PWZGFZZZYQWRCM-HNNXBMFYSA-N 343.349 3.094 30 40 EGEB C=CCOC(=O)[C@H](Cc1ccccc1)NC(=S)Nc1ccccc1 6361771 YPHMJBLVPUSTDV-KRWDZBQOSA-N 340.448 3.314 30 40 EGEB COc1ccc(C(=O)/C=C2\Nc3ccc(C)cc3OC2=O)cc1OC 102883777 SQAAZZNXBQPNPJ-UVTDQMKNSA-N 339.347 3.110 30 40 EGEB O/C(Cc1ccc(-n2cccc2)cc1)=N\c1nc(-c2ccccn2)n[nH]1 48290619 GWXOFZHUAXYBPF-UHFFFAOYSA-N 344.378 3.488 30 40 EGEB N#CCCN(Cc1ccco1)C(=O)[C@H]1Cc2cc(Cl)ccc2O1 69433087 UGXJQCSAEOWFPE-MRXNPFEDSA-N 330.771 3.179 30 40 EGEB Cc1ccc(Cn2nc(C)c(/C=C/C(=O)NC3(C#N)CCC3)c2C)cc1 63477044 NWNFQJCTDGSVBX-MDZDMXLPSA-N 348.450 3.432 30 40 EGEB O=[N+]([O-])c1cc2c(cc1/C=N/Nc1nc3ccccc3s1)OCO2 5605072 ILJFGBKSVRUHQJ-FRKPEAEDSA-N 342.336 3.379 30 40 EGEB C=C(OC(=O)c1ccccc1/C(C)=N\O)c1ccccc1C(=O)O 71415978 FOSPFEZMVKPOGC-ODLFYWEKSA-N 325.320 3.411 30 40 EGEB C[C@@H](/N=C(\NCc1ccccn1)NC[C@@H]1CCCO1)c1cccs1 84661297 JURRRJOGJJOLFG-ZBFHGGJFSA-N 344.484 3.119 30 40 EGEB COc1ccc([C@H](C#N)NC(=O)c2coc3ccccc23)c(OC)c1 95396710 CVLUUZVYJVTOSN-INIZCTEOSA-N 336.347 3.445 30 40 EGEB CCCC[C@H](ON=C(C)C)C(=O)N1CCC[C@H](n2cc(C)cn2)C1 95468846 IJYYCFMQNGQBRJ-IRXDYDNUSA-N 334.464 3.326 30 40 EGEB N#Cc1ccccc1CSCCNC(=O)c1ccc[nH]c1=S 45849509 VTVVTVYXPKXPFC-UHFFFAOYSA-N 329.450 3.279 30 40 EGEB O=C(O)COc1ccc(C(=O)/C=C/c2cc3ccccc3o2)c(O)c1 5669469 BBEZUHJQOQCINV-SOFGYWHQSA-N 338.315 3.498 30 40 EGEB COc1ccc(N2CCN(Cc3ccc(C#N)cc3F)CC2)cc1 139924403 IPSZCGYJCOPPHU-UHFFFAOYSA-N 325.387 3.028 30 40 EGEB COc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2c2ccc(F)cc2)cc1 273540 KAHAVDPIYHSQCH-KRWDZBQOSA-N 341.338 3.323 30 40 EGEB COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc2[nH]ccc2c1 32073175 CROYPWBRXLWGEJ-GOSISDBHSA-N 336.391 3.309 30 40 EGEB C[C@]12CN(/N=C/c3ccc(Cl)cc3)[C@]3(C(N)=O)C[C@H]1CC[C@@]23C 101023493 WYNOWNMBEJHPPD-NKRJKMJESA-N 331.847 3.040 30 40 EGEB CCn1c(C(=O)[C@H](C#N)C(=O)Nc2ccccn2)cc2ccccc21 103717453 RBKGAQWMVWUBDE-AWEZNQCLSA-N 332.363 3.017 30 40 EGEB CC[C@H](C)Oc1ccc(/C=N/N2C(=O)CSC2=S)cc1OC 409334958 YEULSBAAICWBDP-MDKXCRPYSA-N 338.454 3.067 30 40 EGEB Cc1ccc(-c2ccc(=O)n(CCOc3cccc(C#N)c3)n2)s1 58420462 AMTRDOONBJJZSU-UHFFFAOYSA-N 337.404 3.231 30 40 EGEB O=C(c1ccc([N+](=O)[O-])cc1)N1CCS/C1=N\Cc1ccccc1 3430475 CSCSOYLPPJTEOD-ZCXUNETKSA-N 341.392 3.340 30 40 EGEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCc4ccncc4)[C@H]3C[C@@H]12 4000002 WOKZYNDYKZBGGS-GQUPQBGVSA-N 340.467 3.485 30 40 EGEB biogenic COc1ccc(-c2nc(C#N)c(N3CCC(C)CC3)o2)cc1OC 39841443 MSHGMFLPMAIFQC-UHFFFAOYSA-N 327.384 3.467 30 40 EGEB CCOc1ccc(C(=O)N[C@@H](C#N)c2cnn(-c3ccccc3)c2)cc1 69484903 COYJNAXBQORLJQ-IBGZPJMESA-N 346.390 3.266 30 40 EGEB COc1cccc(/C=C2\S/C(=N\c3ccccc3)NC2=O)c1O 15009406 ADFMLBJWRQPWAY-UVTDQMKNSA-N 326.377 3.292 30 40 EGEB CC(=O)Nc1ccc(CCNC(=O)Nc2cc(C#N)ccc2C)cc1 75582847 JZIKOLDSQGZEGT-UHFFFAOYSA-N 336.395 3.189 30 40 EGEB CC(C)c1ccc(C(=O)N2CCN(c3ccc(N)cc3C#N)CC2)cc1 70462099 IFVJOLSNSCUNCO-UHFFFAOYSA-N 348.450 3.226 30 40 EGEB CC(C)C[C@H](NC(=O)C(=O)Nc1cccc(C#N)c1)c1ccccc1 48976047 GWQPJFWWRWMPMA-SFHVURJKSA-N 335.407 3.400 30 40 EGEB C=C(Br)CNC(=O)N1CCC[C@H]1c1ccc(COC)o1 97148036 WHOARPXNNMKZIC-LBPRGKRZSA-N 343.221 3.181 30 40 EGEB CCOC(=O)c1sc(NC(=O)c2ccc(F)cc2)c(C#N)c1C 3554819 DTUPDGVTUIQETI-UHFFFAOYSA-N 332.356 3.496 30 40 EGEB Cc1ccccc1OCc1nc(C#N)c(N2C[C@H](C)O[C@@H](C)C2)o1 108624 QXUHKKVFLBLWAA-KBPBESRZSA-N 327.384 3.047 30 40 EGEB COc1ccc([C@H](NS(=O)(=O)c2cccc(C#N)c2)C(C)C)cc1 12917094 SFWYTBVXWNVWRA-GOSISDBHSA-N 344.436 3.242 30 40 EGEB Cc1c(O)ccc2c(CN(CCC#N)[C@@H](C)C3CC3)cc(=O)oc12 69809419 SFYBNDISYZJCEC-ZDUSSCGKSA-N 326.396 3.321 30 40 EGEB CCS(=O)(=O)Nc1ccc(C(=O)/C=C/c2cccc(C#N)c2)cc1 65565279 MRPAJHJRICZQJO-IZZDOVSWSA-N 340.404 3.216 30 40 EGEB Cc1cc(C(=O)Cn2cnc(C#N)n2)c(C)n1[C@H](C)c1ccccc1 14143853 WPNJJMRDXFXFTM-CQSZACIVSA-N 333.395 3.060 30 40 EGEB COc1cc(C(C)=O)ccc1O[C@H](C)C(=O)NC1(C#N)CCCCC1 7293941 BUWHSQQEXWQPML-CQSZACIVSA-N 344.411 3.008 30 40 EGEB CC(=O)Nc1ccc(/C=C2/COc3cc4c(cc3C2=O)OCO4)cc1 96313906 LKOJRVJTXVJWIG-MLPAPPSSSA-N 337.331 3.032 30 40 EGEB Cc1nn(C)c(Cl)c1[C@H]1CCCN1C(=O)c1cccc(CC#N)c1 72234212 FXXIZXXXAWDTIP-OAHLLOKOSA-N 342.830 3.425 30 40 EGEB Cc1cccc([C@@H]2CCCN2c2ncnc3c2cnn3CCC#N)c1 97199741 RORRWAPYLUJUIO-KRWDZBQOSA-N 332.411 3.390 30 40 EGEB C#CCNC(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 78441079 FJIRMAZHBDCCRB-UHFFFAOYSA-N 344.418 3.031 30 40 EGEB C#CCOc1c(Br)cc(/C=C/[N+](=O)[O-])cc1OCC 213991655 HUWJTJYITVSJPW-AATRIKPKSA-N 326.146 3.107 30 40 EGEB C#CCOc1cccc(CN2C[C@@H]3ON=C(c4ccc(C)cc4)[C@H]3C2)c1 72343269 MYEGPJTXVIVWPW-SFTDATJTSA-N 346.430 3.242 30 40 EGEB CCc1cc(S(=O)(=O)Nc2ccc(CC#N)cc2)ccc1OC 223680006 WSEHPIXKDVLZRH-UHFFFAOYSA-N 330.409 3.124 30 40 EGEB COc1ccc(C2=NO[C@](C)(C(=O)Nc3ccc(C#N)cc3)C2)cc1 96192778 SLAZVDRGZSAKCE-IBGZPJMESA-N 335.363 3.089 30 40 EGEB C[C@@H](N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)C1CCOCC1 96477417 KBTIGMFQWMSQNV-PBHICJAKSA-N 331.435 3.071 30 40 EGEB CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1nnc2ccccc2c1O 96411214 NYYGVPFVDNBHSD-UHFFFAOYSA-N 346.390 3.258 30 40 EGEB N#CCSCC(=O)Nc1cc(F)c(Br)cc1Cl 252506885 WCLLPXMLSYSNPI-UHFFFAOYSA-N 337.601 3.437 30 40 EGEB COc1ccc(C(=O)/C=C2/Nc3cc(C)ccc3OC2=O)cc1OC 100820625 VKKOGEVBWXWVJU-GXDHUFHOSA-N 339.347 3.110 30 40 EGEB COc1ccc(C(=O)N2C[C@@]3(C)[C@@H]4CC[C@]3(C)[C@@]2(C#N)C4)cc1OC 100920517 LPPVWMDNFLZLBE-DPZWOIPNSA-N 340.423 3.248 30 40 EGEB Cc1ccccc1OCc1nc(C#N)c(NCCCn2ccnc2)o1 2203352 KYXXDVMQELOODJ-UHFFFAOYSA-N 337.383 3.132 30 40 EGEB N#Cc1ncn(Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)n1 12736399 AYGQZWPFRYQXEB-UHFFFAOYSA-N 335.314 3.340 30 40 EGEB CC(=O)Nc1ccc(/C=C/C(=O)N(CCC#N)CC(C)(C)C)cc1 69452427 LAZOAMWKOWLMSZ-DHZHZOJOSA-N 327.428 3.447 30 40 EGEB COc1ccccc1-c1n[nH]c(/N=C(O)/C=C/c2nccs2)n1 64490086 MFBMSCGQGQHJOE-VOTSOKGWSA-N 327.369 3.238 30 40 EGEB CN(C(=O)COC(=O)c1cc2c(s1)CCC2)C1(C#N)CCCCC1 4581603 XFLADXCZWPRHMG-UHFFFAOYSA-N 346.452 3.078 30 40 EGEB N#CCCCOc1cccc(/C=C2/C(=O)NC(=O)c3ccccc32)c1 96189872 FLQKPNRRIGDKFY-QGOAFFKASA-N 332.359 3.180 30 40 EGEB CCCC[C@@H](CC)C(=O)Nc1c(C#N)cnn1-c1nc(C)cc(C)n1 9698304 GKKLDLBIFYZVJW-CQSZACIVSA-N 340.431 3.306 30 40 EGEB COc1ccc([C@@H](O)CNc2ccc(C#N)c(Cl)c2)cc1OC 95399244 CBIXSZBMMNZVPD-HNNXBMFYSA-N 332.787 3.374 30 40 EGEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]1c1ccccc1 9958360 WRPWYUDTFCIJLK-IBGZPJMESA-N 349.434 3.160 30 40 EGEB COC(=O)c1cc(/N=C/c2ccc(O)c([N+](=O)[O-])c2)ccc1Cl 408965318 VQLQDUFAFJWLCR-CAOOACKPSA-N 334.715 3.491 30 40 EGEB CN(C)c1ccc([C@H]2CCCN2Cc2cn3ccccc3c2C#N)nn1 591626104 MJWMGJUTKJRFTB-LJQANCHMSA-N 346.438 3.004 30 40 EGEB Cc1nc(SCc2cc(=O)n3ccsc3n2)c(C#N)c(C)c1C 5089198 MOBBPASCQBKMEY-UHFFFAOYSA-N 342.449 3.240 30 40 EGEB N#CC1(C#N)[C@H]2CCCC[C@@]23OC(=N)[C@@]1(C#N)[C@@H](c1ccccc1)O3 101040241 YDHPTFXGAJFNQY-OHDICMOHSA-N 332.363 3.195 30 40 EGEB O=C(O)CCOc1cccc(/C=C2\CCc3cc(O)ccc3C2=O)c1 60364424 UYRHMMURJCKQIU-XNTDXEJSSA-N 338.359 3.458 30 40 EGEB N#C[C@@H](C(=O)/C=C/c1c(F)cccc1F)c1nnc2n1CCCCC2 54726935 YVEWBLBZXLUAOH-XEHSLEBBSA-N 342.349 3.172 30 40 EGEB CN(C(=O)C1CCN(c2ccc(C#N)cn2)CC1)C1CCCCCC1 54723756 ZZDWHMIUSVREHV-UHFFFAOYSA-N 340.471 3.351 30 40 EGEB N#C[C@H](C(=O)C[C@H](c1ccccc1)C(F)(F)F)C(=O)N1CCCC1 102766126 PYPUQLLKWOYTKB-ZIAGYGMSSA-N 338.329 3.054 30 40 EGEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCSCC4)[C@H]3C[C@@H]12 61992884 ZCCNWNMIFSQHGL-DIKXUDHVSA-N 335.513 3.349 30 40 EGEB biogenic CCc1ccccc1N=C[C@@H]1C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 408534491 MEDTUAZJZMHKAK-MRXNPFEDSA-N 349.390 3.159 30 40 EGEB N#C[C@H](C(=O)[C@@H]1CC(c2cccc(F)c2)=NO1)c1nc2ccccc2[nH]1 48813584 PHNGRQBCPQHXRA-DYVFJYSZSA-N 348.337 3.071 30 40 EGEB C#CCNC(=O)c1ccccc1NC(=O)C1CCC(n2cccc2)CC1 69530631 SHMLCYOHZCSZTB-UHFFFAOYSA-N 349.434 3.221 30 40 EGEB O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1cccnc1)n1ncnc1N2 18197305 JMLDQNCADHTWMO-SJKOYZFVSA-N 349.419 3.150 30 40 EGEB COc1ccc2c(c1)CCCN2CC(=O)Nc1sccc1C#N 27579216 BYHFYWJWOGDYNU-UHFFFAOYSA-N 327.409 3.020 30 40 EGEB CC(C)N(CC#N)C(=O)c1cn(-c2ccc(Br)cc2)cn1 95439870 DRKVSICNDTXWBX-UHFFFAOYSA-N 347.216 3.009 30 40 EGEB N#Cc1c[nH]c(C(=O)Nc2ccc(-c3ncc4n3CCCC4)cc2)c1 95407079 RPWFWVUXHBCCPK-UHFFFAOYSA-N 331.379 3.338 30 40 EGEB CC(=O)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C 1670859 PUKLDDOGISCFCP-OYDVVICCSA-N 344.451 3.017 30 40 EGEB biogenic CN(Cc1nc(-c2ccsc2)no1)Cc1cc(C#N)ccc1F 30972564 CJPSFORDJDIGGQ-UHFFFAOYSA-N 328.372 3.441 30 40 EGEB COc1cc(C#N)ccc1OCC(=O)N(C)[C@@H](C)c1ccc(F)cc1 10902962 IWXBXIODNHCLLT-ZDUSSCGKSA-N 342.370 3.304 30 40 EGEB N#Cc1ccccc1NC(=O)CCN1CCC[C@H](C(F)(F)F)C1 28852717 ZLHPBLFAXPJSHM-ZDUSSCGKSA-N 325.334 3.161 30 40 EGEB COc1cc(/C=C/C(=O)OCc2ccccc2F)ccc1OCC#N 3471086 FBRPUPBASGQBKA-VQHVLOKHSA-N 341.338 3.493 30 40 EGEB C=CCn1c(SC[C@@H](O)COc2ccc(C)cc2)nnc1C1CC1 14200898 TWWDZVIIGUWPCC-HNNXBMFYSA-N 345.468 3.182 30 40 EGEB CC12CN3CC(C)(CN(C1)C3[C@@]1(CCC#N)CCOC(C)(C)C1)C2 19331582 HQKNMQSCTTUDNB-GXVYMARFSA-N 331.504 3.239 30 40 EGEB biogenic N#Cc1cccc(C(=O)/N=c2\sccn2Cc2ccccc2F)c1 8062332 FOIDLADFHDYMFV-UZYVYHOESA-N 337.379 3.350 30 40 EGEB Cc1ccc(C(=O)O)cc1/N=C\c1ccc(O[C@@H](C)C(=O)O)cc1 408854163 YVVBDNHQSDXPPR-ZTPSMGMTSA-N 327.336 3.296 30 40 EGEB N#Cc1ccc(CN2CCN(c3nc4ccccc4s3)CC2)cc1 60846956 APKHCYKPPZAWTC-UHFFFAOYSA-N 334.448 3.490 30 40 EGEB N#C[C@@H](C(=O)c1cnc2c(cnn2C2CCCC2)c1)c1ccccn1 79333272 KCFBDZQIJMTERO-MRXNPFEDSA-N 331.379 3.431 30 40 EGEB C=CCOc1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 223723583 AERHXGUQCQKEES-UHFFFAOYSA-N 331.437 3.381 30 40 EGEB CCCO[C@](C)(C(=O)Nc1ccc(OC(C)=O)cc1C#N)C1CC1 225858794 AWNNRDARRRSRGM-SFHVURJKSA-N 330.384 3.017 30 40 EGEB C=CCOc1cccc(NS(=O)(=O)c2ccc(F)c(OC)c2)c1 192670458 SKIKWMXHNASFSA-UHFFFAOYSA-N 337.372 3.200 30 40 EGEB O=C1/C(=N\O)c2c(Cl)cccc2N1CCCOc1ccccc1 46085221 VLSPQKUFDRSKSH-MNDPQUGUSA-N 330.771 3.334 30 40 EGEB CC/N=C1\S/C(=C/c2ccc(Br)o2)C(=O)N1CC 5552158 KKLCGKXCXZXIRJ-YYKRUEADSA-N 329.219 3.354 30 40 EGEB Cc1cnc(OC[C@@H]2CCCN(Cc3ccc(C#N)cc3F)C2)nc1 1776000730 HKZRFUWPRIQYOH-MRXNPFEDSA-N 340.402 3.087 30 40 EGEB Cc1cnc(C)c(OC2CCN(Cc3ccc(C#N)cc3F)CC2)n1 2087131791 GZNSECMMYAIQOJ-UHFFFAOYSA-N 340.402 3.148 30 40 EGEB CN1C(=O)/C(=C/c2cccnc2)S/C1=N/c1cccc(C(=O)O)c1 8642771 LUYRKZQQVYTULD-ZOBMXMCISA-N 339.376 3.014 30 40 EGEB N#Cc1ccccc1OCC(=O)N[C@H]1CCCC[C@H]1C(F)(F)F 22912733 UMRSOCCZEXSEGU-OLZOCXBDSA-N 326.318 3.174 30 40 EGEB N#Cc1cccc(NC(=O)N(Cc2cccnc2)C[C@H]2CCCO2)c1 44973424 ZTHUXCFRYVCILP-GOSISDBHSA-N 336.395 3.166 30 40 EGEB CCOc1ccccc1/C=N/n1cnc2sc(C)c(C)c2c1=O 3325999 RMQNEMWOXKQPSE-DJKKODMXSA-N 327.409 3.356 30 40 EGEB COc1cc(/C=C/C(=O)Nc2cccc(F)c2)ccc1OCC#N 3548385 LYCXZWDQLFWTAZ-SOFGYWHQSA-N 326.327 3.389 30 40 EGEB CC(C)(C)n1cc(C#N)cc1NC(=O)c1ccc(Cn2cncn2)cc1 72271663 YCYBZWKLSFEPNC-UHFFFAOYSA-N 348.410 3.007 30 40 EGEB C#Cc1cc(F)c(NS(=O)(=O)c2cccc3cccnc23)c(F)c1 95466267 FGTJHQQSITTWPD-UHFFFAOYSA-N 344.342 3.295 30 40 EGEB CC(=O)c1cn(C/C(O)=N/c2nc(C(C)C)n[nH]2)c2ccccc12 95474333 JZLYEKHIMNTPFH-UHFFFAOYSA-N 325.372 3.374 30 40 EGEB N#Cc1ccc(N[C@H](CCO)C2CCOCC2)cc1C(F)(F)F 95943016 VFPWLJXZUXIXJX-OAHLLOKOSA-N 328.334 3.167 30 40 EGEB COCc1c(C#N)c(O)nc(/C=C/c2ccc(C)cc2)c1[N+](=O)[O-] 409207301 RMFQOADMIJRVIZ-BQYQJAHWSA-N 325.324 3.192 30 40 EGEB N#CCCN(C(=O)COc1ccc(F)cc1F)c1ccc(F)cc1 31712744 WYEIWVKYVBYCLB-UHFFFAOYSA-N 334.297 3.430 30 40 EGEB C=CCNC(=O)[C@@H]1[C@@H]2CC[C@]3(CC(=O)c4cc(Cl)ccc4O3)[C@H]21 248022850 VBHRUMJEJJKFRF-PLDPNSPWSA-N 331.799 3.002 30 40 EGEB Cn1c(N/N=C/c2cc3c(cc2Cl)OCO3)nc2ccccc21 7343416 KYPZVLRRNLNLJU-QGMBQPNBSA-N 328.759 3.401 30 40 EGEB CC(=O)C1=C(O)C(=O)N(c2ccccc2F)[C@H]1c1ccc(F)cc1 4606963 UCWZSTNKLJPSCA-INIZCTEOSA-N 329.302 3.454 30 40 EGEB O=[N+]([O-])c1ccccc1N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O 38167734 JXCCDHVFOHEVTJ-VIZOYTHASA-N 336.691 3.308 30 40 EGEB COC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O 9575780 YUSBAAYEVJTEMA-JWHLFPLYSA-N 342.322 3.382 30 40 EGEB COc1ccc(C)cc1-n1c(SCC#N)nc2ccccc2c1=O 2618907 XVEHPJZSDOTZHR-UHFFFAOYSA-N 337.404 3.318 30 40 EGEB O=c1c(/C=N/c2cc(O)[nH]c(=S)n2)coc2cc(Cl)ccc12 553553 GMXUZRGREKETOJ-FZSIALSZSA-N 333.756 3.355 30 40 EGEB Cc1nc2c([nH]c3ccc(F)cc32)c(=O)n1/N=C/c1ccccc1F 546722 ZRZIIKWEOYRAEW-ZVBGSRNCSA-N 338.317 3.347 30 40 EGEB Cc1ccc(C(=O)[C@H](C#N)c2nc3sc(C)c(C)c3c(=O)[nH]2)s1 35360151 MPODYYXYSQISDL-JTQLQIEISA-N 343.433 3.461 30 40 EGEB CO[C@H](C)C(=O)Nc1cccc(NC(=O)Nc2cccc(C#N)c2)c1 58014558 XFBYOLDEIDOZTK-GFCCVEGCSA-N 338.367 3.176 30 40 EGEB CCOc1ccc(C(=O)N[C@H](C#N)c2cnn(-c3ccccc3)c2)cc1 69484905 COYJNAXBQORLJQ-LJQANCHMSA-N 346.390 3.266 30 40 EGEB O=C(O)COc1ccc(/C=N\c2cccc([N+](=O)[O-])c2)cc1Cl 408846316 MSFLKQMUELSQIB-IUXPMGMMSA-N 334.715 3.462 30 40 EGEB CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1nc(-c2cccs2)n[nH]1 9155155 PTGLAVMBRKPGTG-MEBBXXQBSA-N 349.485 3.068 30 40 EGEB CN(Cc1ccc(C#N)cc1)C(=O)CCC(=O)c1ccc(F)c(F)c1 87068512 GZIZECQKHXHRII-UHFFFAOYSA-N 342.345 3.458 30 40 EGEB Cc1ccc(S(=O)(=O)c2ccc(N/N=C/[C@H]3CCOC3)cc2)cc1 95347468 GIGSHKJWTHWFAF-IYSPOMMRSA-N 344.436 3.262 30 40 EGEB Cc1cscc1NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 269605587 MDQIFZJBHNTVQT-UHFFFAOYSA-N 340.452 3.278 30 40 EGEB Cc1c(Cl)cnc(N[C@H]2CCCN(CC(F)(F)F)C2)c1C#N 590702753 HTHGTFJDKCXHES-JTQLQIEISA-N 332.757 3.354 30 40 EGEB Cc1nnc(N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c(C#N)c1C 43534075 HLJSCRLNVUGMHF-CQSZACIVSA-N 332.411 3.225 30 40 EGEB CC[C@@H](CC#N)NC(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1 155856477 OIRZXQKACCJTEQ-INIZCTEOSA-N 342.443 3.372 30 40 EGEB COc1cc(/C=C2\Cc3c(O)cccc3C2=O)cc(OC)c1OC 11335866 RPFMQZHHPMSFSN-KPKJPENVSA-N 326.348 3.240 30 40 EGEB N#Cc1ccccc1-c1ccc(CSCc2nc(N)nc(N)n2)cc1 89809563 SMVYPOAEGVPMRO-UHFFFAOYSA-N 348.435 3.008 30 40 EGEB N#CC1(C#N)[C@@H](c2cccs2)O[C@]23CCCC[C@@H]2[C@]1(C#N)C(=N)O3 102716368 PADCIVFBXXREEE-KFZJALRRSA-N 338.392 3.257 30 40 EGEB CCC(C)(C)NCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 12764085 ZZFFJTFVHHBYPT-UHFFFAOYSA-N 342.443 3.335 30 40 EGEB Cc1cc(/N=C/c2c(CO)cnc(C)c2O)ccc1Br 5110616 PDRNWJWKTHAPFP-CNHKJKLMSA-N 335.201 3.409 30 40 EGEB CN1C(=O)[C@@](O)(CC(=O)/C=C/c2ccccc2)c2cc(Cl)ccc21 4555361 WRWHPSLNOWZFCR-QRBZPYHOSA-N 341.794 3.177 30 40 EGEB O=C(O)CCCC/C(=N\Nc1ccccc1[N+](=O)[O-])c1ccccn1 33549240 ULGBXRZMAHARRA-XMHGGMMESA-N 342.355 3.451 30 40 EGEB C=CCOc1ccc(NC(=O)C2(C)COC3(CCCCC3)OC2)cn1 225915827 HBSWLSMEYDBWBH-UHFFFAOYSA-N 346.427 3.298 30 40 EGEB N#Cc1ccc(NC(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)cc1 67014151 NLOAUHIITBXSNC-QGZVFWFLSA-N 343.333 3.442 30 40 EGEB CCCCCCCCN1CC(=O)C(c2nc3ccccc3[nH]2)=C1N 97993326 XPZIUKNGTGECCJ-UHFFFAOYSA-N 326.444 3.435 30 40 EGEB COc1cccc(-c2nnc3sc4cc(C#N)c(C#N)cc4n23)c1 94495 NORGXKISAHUDRG-UHFFFAOYSA-N 331.360 3.363 30 40 EGEB C#C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)Nc1cccc2ccccc12 8254600 VJRSPJGLKGDSJB-RYQLBKOJSA-N 349.503 3.470 30 40 EGEB biogenic,in-vitro N#Cc1cccc(NC(=O)CSCc2cc3ccccc3[nH]c2=O)c1 75610377 OOEASMJHIIYSGR-UHFFFAOYSA-N 349.415 3.272 30 40 EGEB N#Cc1ccc(-c2nc([C@H]3CC(=O)N(c4ccc(F)cc4)C3)no2)cc1 44420163 AGSQJIBLFUWXKZ-AWEZNQCLSA-N 348.337 3.268 30 40 EGEB Cc1cc(=O)[nH]c(-c2ccc(NC(=O)c3cccc(CC#N)c3)cc2)n1 69485427 RJBUTGXXQIDFEO-UHFFFAOYSA-N 344.374 3.064 30 40 EGEB Cc1cc(C)nc(SCC(CSc2nc(C)cc(C)n2)=NO)n1 4401900 WOUIJKDWAGWKQK-UHFFFAOYSA-N 349.485 3.215 30 40 EGEB N#Cc1c(NC(=O)CSc2nnc(C3CC3)o2)sc2c1CCC2 7288670 CVJWGQGJRAHILD-UHFFFAOYSA-N 346.437 3.100 30 40 EGEB CCCN/C(=N/Cc1ccccc1)NCC1(SC)CCOCC1 78949465 VCKBAQVIKZERHT-UHFFFAOYSA-N 335.517 3.044 30 40 EGEB CC(C)C[C@H](C)S(=O)(=O)/N=C(\O)[C@H]1C[C@@H]1c1cccc(C#N)c1 83147747 ZQYXUZBTWHNSMK-MAZHCROVSA-N 334.441 3.383 30 40 EGEB CN(C)CCC(=O)Nc1ccc(NCc2cc(C#N)cs2)cc1 95428849 YPXFWHFASOPDEU-UHFFFAOYSA-N 328.441 3.122 30 40 EGEB C[C@H](/N=C(/O)[C@H]1CCCCN1C(=O)c1cccs1)c1cn[nH]c1 328877476 UBCIJCWFKRSKSJ-WCQYABFASA-N 332.429 3.184 30 40 EGEB C[C@@]1(C/N=C(/O)N2Cc3ccccc3CO2)OCCc2sccc21 329623215 NROVLHMRUPMHEP-SFHVURJKSA-N 344.436 3.397 30 40 EGEB COc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1C#N 225769629 BKEJSGVQUQLZNH-UHFFFAOYSA-N 336.391 3.254 30 40 EGEB N#CCCN(CCC(F)(F)F)C(=O)[C@@H]1COc2ccc(F)cc2C1 95445447 IDGDOBUTCMNBDA-LBPRGKRZSA-N 344.308 3.071 30 40 EGEB O/C(=N/[C@@H]1CCCC2(C1)OCCO2)c1cc(O)ccc1C(F)(F)F 330031597 ATFWGMHTSLLADJ-SNVBAGLBSA-N 345.317 3.401 30 40 EGEB CCCc1ccc(Cl)c(S(=O)(=O)N[C@@H]2CCC[C@H]2C#N)c1 585737369 RYNCGFBRBKDFIG-GXTWGEPZSA-N 326.849 3.263 30 40 EGEB CCOC(=O)/C(=C/c1ccc(-c2ccsc2C(=O)OC)o1)C(C)=O 3028884 SXOCNDNSYKTLRM-UKTHLTGXSA-N 348.376 3.330 30 40 EGEB COc1ccc([C@@H](NC(=O)N2CCC(C#N)CC2)C(F)(F)F)cc1 155074215 ODVIACKFVTYZNP-CQSZACIVSA-N 341.333 3.244 30 40 EGEB N#Cc1ccccc1NC(=O)[C@H]1CCCN(c2ccc(C3CC3)nn2)C1 826797309 UHAYHNYTGCEUNX-INIZCTEOSA-N 347.422 3.081 30 40 EGEB N#Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)o2)cc1 2619313 LDLWAPOGLJXEOA-UHFFFAOYSA-N 336.376 3.339 30 40 EGEB COc1ccc(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)cn1 12606122 ATOCYPDYKCCPCT-UHFFFAOYSA-N 342.424 3.013 30 40 EGEB C=CCn1nnc(NC(=O)c2ccc(-c3ccc(C)c(Cl)c3)o2)n1 10148869 NFQHXQCHOOKREC-UHFFFAOYSA-N 343.774 3.333 30 40 EGEB O=C(ON1C(=O)c2cccc3cccc(c23)C1=O)c1ccccc1F 3646876 GUAPTMHWYIOJQI-UHFFFAOYSA-N 335.290 3.347 30 40 EGEB CC(=O)NCCCCCC(=O)N(CCC#N)c1cccc(C)c1C 69807910 KKCXNTXNTADDGV-UHFFFAOYSA-N 329.444 3.247 30 40 EGEB C=CCn1c(SCC(=O)N[C@@](C)(C#N)C(C)C)nc2ccccc21 5618964 IYEFWTWAFASSEL-SFHVURJKSA-N 342.468 3.369 30 40 EGEB C=CCn1c(SCC(=O)Nc2ccon2)nnc1C1CCCCC1 8987395 VAJOWNJTGOMSAW-UHFFFAOYSA-N 347.444 3.231 30 40 EGEB N#C[C@@H](NC(=O)c1ccnnc1)c1ccc(OCc2ccccc2)cc1 90521323 STTYPUAEOFTFRO-LJQANCHMSA-N 344.374 3.050 30 40 EGEB C#CCOc1ccc(OC)cc1/C=N/Nc1nc2ccccc2n1C 408647141 BEAYNBOWFLNFLH-DEDYPNTBSA-N 334.379 3.040 30 40 EGEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccncc1 19314779 RJYBOKZBEUQUPG-KRWDZBQOSA-N 340.423 3.249 30 40 EGEB COc1ccc(OCCC(=O)N[C@H](C#N)c2ccc(F)cc2F)cc1 68419426 IXTSYERVMNVTAI-QGZVFWFLSA-N 346.333 3.123 30 40 EGEB C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cc(C#N)cn1C(C)(C)C 95360958 VCMFRBGNCXYXRX-SJKOYZFVSA-N 339.395 3.282 30 40 EGEB COC(=O)c1sccc1Cn1c(C)nnc1-c1cccc(C#N)c1 89736172 BOTCQRIUGDOWDP-UHFFFAOYSA-N 338.392 3.022 30 40 EGEB Cc1cccc(N2CCO[C@H]2c2cn(Cc3cccc(C#N)c3)nn2)c1 216759744 FTBQBBFGMRSCBY-FQEVSTJZSA-N 345.406 3.042 30 40 EGEB N#C[C@@H](C(=O)CCn1c(=O)oc2ccccc21)c1nc2ccccc2o1 41544135 ZHJKRADNICVTLA-LBPRGKRZSA-N 347.330 3.002 30 40 EGEB CCOCCOCc1cccc(CNC(=O)c2ccc(C#N)cc2)c1 32375524 QAXQPLCLTWOMCH-UHFFFAOYSA-N 338.407 3.041 30 40 EGEB C=CCO[C@@H]1CCN(C(=O)C2CC(F)(F)C2)[C@H]1Cc1ccccc1 1565550904 HOCILSDFCDEISS-DLBZAZTESA-N 335.394 3.447 30 40 EGEB N#Cc1c2c(c(N3CCOCC3)n3c1nc1ccccc13)CCCC2 45604 UWKMGBPWOMPPFO-UHFFFAOYSA-N 332.407 3.075 30 40 EGEB CC(C)[C@](C)(C#N)NC(=O)CNc1ccc(OC(F)(F)F)cc1 40473210 GHAXBURTPJKBKC-AWEZNQCLSA-N 329.322 3.052 30 40 EGEB COc1ccc(/C=C\C(=O)c2c(OC)cc(OC)c(OC)c2O)cc1 8612909 MAOWYEHMWILRMH-YFHOEESVSA-N 344.363 3.323 30 40 EGEB COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CSC)cc1 47895779 WOOHGGYXLONBGN-UHFFFAOYSA-N 329.425 3.276 30 40 EGEB N#Cc1c(F)cccc1N1CCC[C@@H]1c1nnc2n1CCCCC2 58406664 DHQLWZRSHKKFNK-MRXNPFEDSA-N 325.391 3.357 30 40 EGEB CN(Cc1cccc(C#N)c1)S(=O)(=O)Cc1ccccc1Cl 69561024 QGISZDOEIZPGOR-UHFFFAOYSA-N 334.828 3.173 30 40 EGEB Cc1ccccc1C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 14200142 YUVPUBZEVIPTEB-IBGZPJMESA-N 337.398 3.157 30 40 EGEB N#Cc1ccccc1CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O 8502019 JKWOBMJFZALJFO-OAQYLSRUSA-N 345.402 3.232 30 40 EGEB O=[N+]([O-])c1cccnc1N/N=C/c1ccc(Br)s1 409098841 MGCFURXMIPSTPB-AWNIVKPZSA-N 327.163 3.260 30 40 EGEB COc1ccc(/C=N\OCC(=O)Nc2ccc(C)cc2C)cc1OC 35225819 HJXXMBYVCLEOLN-JAIQZWGSSA-N 342.395 3.310 30 40 EGEB CCCCc1nn(Cc2ccc(Br)cc2)c(N)c1C#N 225843182 RCKHGSNGLFCUNI-UHFFFAOYSA-N 333.233 3.490 30 40 EGEB CN(C)CCCN(CCC#N)C(=O)c1cc2ccc(Cl)cc2[nH]1 69841627 BNOFFAMYEBMQFV-UHFFFAOYSA-N 332.835 3.129 30 40 EGEB N#Cc1ccccc1CN1CCC(C(=O)Nc2ccccc2O)CC1 15044241 OBHMURDEUULUQT-UHFFFAOYSA-N 335.407 3.115 30 40 EGEB N#Cc1cc([N+](=O)[O-])ccc1Sc1ccc([N+](=O)[O-])cc1C#N 1654678 KECFVFYQNDZHKT-UHFFFAOYSA-N 326.293 3.398 30 40 EGEB Cc1ccc(-c2nc(CS/C(N)=N/C[C@H]3CCCO3)cs2)o1 30515975 KYANSBREJWOOJP-GFCCVEGCSA-N 337.470 3.438 30 40 EGEB CC(=O)NCc1ccc(C(=O)[C@@H](C#N)C(=O)c2cccc(C)c2C)cc1 100779569 FGUKZZVIVWKVLS-LJQANCHMSA-N 348.402 3.145 30 40 EGEB C=CCn1nnnc1SCC(=O)c1ccc2c(c1)-c1ccccc1C2 52894542 ULYKXQRCAUSGCG-UHFFFAOYSA-N 348.431 3.405 30 40 EGEB CSc1nnc(C(F)F)n1/N=C/c1ccccc1OC(F)F 2789981 UJXAQEYGMNLBAJ-UBKPWBPPSA-N 334.298 3.421 30 40 EGEB N#Cc1cccnc1NC[C@@H](c1ccccc1Cl)N1CCOCC1 25495221 DAXHGAPWPXINOE-KRWDZBQOSA-N 342.830 3.092 30 40 EGEB CCC[C@H]1C(C#N)(C#N)[C@]2(C#N)C(=N)O[C@@]1(C)O[C@H]2c1ccccc1 102676478 SBKVXNYVGBVMGA-GFIVTLFCSA-N 334.379 3.441 30 40 EGEB N#Cc1ccc(COC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1 6550976 GEACFZJGRQGBOU-UHFFFAOYSA-N 339.351 3.402 30 40 EGEB CC/N=c1\scc(-c2ccc(O)cc2O)n1/N=C/c1ccco1 14528243 XYIWVKPSHMKGHJ-USUQQFSKSA-N 329.381 3.024 30 40 EGEB Cc1cc(/C(O)=N/S(=O)(=O)CCCC(F)(F)F)c(F)cc1F 96487603 GLUGZUSTNOTNLL-UHFFFAOYSA-N 345.289 3.250 30 40 EGEB CCCCCS(=O)(=O)/N=C(\O)Cc1csc([C@H](C)OCC)n1 71910314 ZZZNMVAXDOGVSA-NSHDSACASA-N 348.490 3.260 30 40 EGEB COCCC1(NCC(=O)Nc2ccc(C#N)c(Cl)c2)CCCC1 95454714 YZZOABZRXKNLED-UHFFFAOYSA-N 335.835 3.089 30 40 EGEB Cc1cnn(CCCNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)c1 76062893 PCGJKUIZSGRJEY-UHFFFAOYSA-N 336.355 3.022 30 40 EGEB Cc1c(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3CC2)c2ccccc2n1C 409178193 HAZKJHZBYYHBGL-ASSVNYGOSA-N 347.418 3.018 30 40 EGEB CCOc1cc(/C=N/n2cnnc2SCC)ccc1OC(F)F 36611435 GFRLVRVNQZWQGK-QGMBQPNBSA-N 342.371 3.272 30 40 EGEB COc1cccc(C(=O)c2ccc(C(=O)N3CCC(C#N)CC3)cc2)c1 189148833 ASJDUFXJAQKWBF-UHFFFAOYSA-N 348.402 3.302 30 40 EGEB C=CCSc1nnc(NS(=O)(=O)c2ccc(Cl)cc2)s1 225755659 YUBMVUAPOWXISR-UHFFFAOYSA-N 347.874 3.270 30 40 EGEB Cc1n[nH]c(C)c1[C@@H]1COCCN1C/C(O)=N/[C@@H](C)c1cccs1 329072908 ZSZAGIYMMVNUOV-FZMZJTMJSA-N 348.472 3.179 30 40 EGEB C=CCOc1cccc(NS(=O)(=O)c2cc(F)ccc2OC)c1 223693338 HAQITWOZIDMMEH-UHFFFAOYSA-N 337.372 3.200 30 40 EGEB COc1ccccc1COc1nn(Cc2ccc(C)cc2)c(N)c1C#N 225846338 XYKLXCNMRFOMLL-UHFFFAOYSA-N 348.406 3.281 30 40 EGEB N#Cc1ccc(N2CCC(OC[C@@H]3CCCCO3)CC2)c([N+](=O)[O-])c1 96455880 ANLZKWJELWZXBM-INIZCTEOSA-N 345.399 3.021 30 40 EGEB CC[C@H](CC#N)NCc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1 585086321 ZDXRMXWUBDSFJH-GFCCVEGCSA-N 336.436 3.216 30 40 EGEB CSc1nc(C)c(CCC(=O)[C@H](C#N)c2ccccn2)c(C)n1 41493119 RUEIUPJZSAEFGH-CQSZACIVSA-N 326.425 3.019 30 40 EGEB CCN(C[C@@H](C)C#N)C(=O)Cc1cn2cc(Cl)cc(Cl)c2n1 69350867 MHTNJZUBYNAMHE-JTQLQIEISA-N 339.226 3.192 30 40 EGEB COC(=O)c1c(NC(=O)c2ccc(C#N)cc2)sc2c1CCC2 4194739 ORQRQVOLGNZUKT-UHFFFAOYSA-N 326.377 3.147 30 40 EGEB CCOC(=O)c1ccc(C#N)c(SCCOc2ccccc2F)n1 40040118 CDZWDBDGTJECSP-UHFFFAOYSA-N 346.383 3.440 30 40 EGEB CN1/C(=C\C(=O)COC(=O)c2ccco2)C(C)(C)c2ccccc21 32942925 SGYSSIBFSFIGGU-BOPFTXTBSA-N 325.364 3.317 30 40 EGEB N#C[C@H](C(=O)Nc1ccccc1)C(=O)c1ccc(Br)cc1 103504159 MENDLHVWHRKUCC-AWEZNQCLSA-N 343.180 3.410 30 40 EGEB CCn1c(CN(C)C(=O)NCc2ccc(C#N)cc2)nc2ccccc21 58245173 BBBFAXTWSYFRBJ-UHFFFAOYSA-N 347.422 3.269 30 40 EGEB CC/N=C1\S[C@@H](C(=O)Nc2cccc(Cl)c2)CC(=O)N1CC 13151501 XGQLTKNFSZOXLH-UWENYHRYSA-N 339.848 3.008 30 40 EGEB COc1cc(OC)c(/N=C/c2c(CO)cnc(C)c2O)cc1Cl 5110721 IBDDSMYCDNQIHN-FBCYGCLPSA-N 336.775 3.009 30 40 EGEB CCCc1cc(-c2nc(C)c(/C(C)=N/NC(N)=S)s2)ccn1 6756493 DYAJFCMAIOZQCL-VXLYETTFSA-N 333.486 3.023 30 40 EGEB C=CCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N(CC=C)CC=C 4933503 HNAJQBAMZPKEEZ-HNNXBMFYSA-N 348.406 3.145 30 40 EGEB N#C[C@H](NC(=O)c1ccc2cc[nH]c2c1)c1cnn(-c2ccccc2)c1 68401038 ZQDYMWQPTFKHIB-IBGZPJMESA-N 341.374 3.348 30 40 EGEB C#CCOc1cc(F)ccc1NC(=O)N[C@@H](C)Cc1c(C)noc1C 72303964 JLUUXNLRAFHPFG-NSHDSACASA-N 345.374 3.195 30 40 EGEB N#Cc1ccccc1Oc1ccc(C(=O)N2CC[C@@H](O)C2)cc1Cl 89242712 NWRCPPVJQJIFEB-CQSZACIVSA-N 342.782 3.211 30 40 EGEB C=CCc1cc(CO)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 34772910 YQMNQBVTLQDHOE-UHFFFAOYSA-N 329.352 3.403 30 40 EGEB CCOc1cc(/C=N/NCc2ccc(Cl)cc2)cc([N+](=O)[O-])c1O 37142995 HUFOBWXGCYUBMY-VXLYETTFSA-N 349.774 3.476 30 40 EGEB CC(C)(C)OC(=O)N1CCC(Nc2ccc(C#N)cc2[N+](=O)[O-])CC1 91297487 UHGKNHSNDDFAMQ-UHFFFAOYSA-N 346.387 3.278 30 40 EGEB CC(C)(C)CS(=O)(=O)/N=C(\O)[C@H]1C[C@H]1c1cc(F)ccc1F 96442097 WHBSLVNZGRXAHZ-JQWIXIFHSA-N 331.384 3.401 30 40 EGEB C=CCn1cc(CN2CCCN(c3ccc(OC)cc3)CC2)c(C)n1 19552308 VXLLUVJOXJTYNC-UHFFFAOYSA-N 340.471 3.098 30 40 EGEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1c(O)ccc3ccccc13)[C@H]1C=C[C@H]2CC1 100175937 FGSNUPZWVPHNII-ASSVNYGOSA-N 346.386 3.077 30 40 EGEB CCC1=C/C(=C2/ONC=C2c2ccc(OC)cc2)C(=O)C=C1OC 100407100 REUNIRRMGNFOCY-CYVLTUHYSA-N 325.364 3.274 30 40 EGEB CN(C)/C=C1/C(=O)C[C@H](/C=C/c2ccccc2)N(C(C)(C)C)C1=O 100915058 QIUMRZIKBOGRSZ-NJQYSXHCSA-N 326.440 3.114 30 40 EGEB N#Cc1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc2c1CCCCC2 2750976 FUDLCZYASOUKOC-CHWSQXEVSA-N 344.436 3.494 30 40 EGEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1ccc(Cl)cc1Cl 409407556 MOXSPELNDHURPV-LBLXLQPISA-N 335.190 3.134 30 40 EGEB N#Cc1cc([N+](=O)[O-])ccc1Nc1ccc(CN2CCOC2=O)cc1 48263094 WPEVRTCBKFUDTQ-UHFFFAOYSA-N 338.323 3.162 30 40 EGEB O=C1CCCC2=C1[C@@H](c1ccc(-c3ccccc3)cc1)n1nnnc1N2 18196037 QUHREFRMHLPRNX-LJQANCHMSA-N 343.390 3.362 30 40 EGEB COc1ccc(CN2CC[C@H](CNc3ccc(C#N)cn3)C2)cc1F 65498637 XYPMWPGKVCQBCI-MRXNPFEDSA-N 340.402 3.035 30 40 EGEB Cc1cc(-c2nnc(S)n2/N=C/c2ccc(C(C)C)cc2)[nH]n1 6786166 DQRGQUPSCNUVCX-RQZCQDPDSA-N 326.429 3.271 30 40 EGEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccccc1)n1nnnc1N2 18200743 VZSJHKCKKLCYOC-HNAYVOBHSA-N 343.390 3.089 30 40 EGEB CC(C)c1nc([C@@H]2CCCN(c3ncc(C#N)cc3Cl)C2)no1 72285216 RLQKGUBSVVKTPG-GFCCVEGCSA-N 331.807 3.497 30 40 EGEB C[C@@H](OC(=O)C[C@@H](C)c1cccnc1)C(=O)Nc1ccccc1C#N 71914255 FICFTXLHPHDMNN-ZIAGYGMSSA-N 337.379 3.017 30 40 EGEB C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)[C@@H](c2ccco2)C1 127085402 PEVYMOJVJYXUER-CZUORRHYSA-N 337.379 3.090 30 40 EGEB N#CCC(=O)N1CC[C@]2(c3ccccc3)CN(c3ccccc3)C[C@@H]2C1 96083378 MDHLQEPYOPMWFL-SIKLNZKXSA-N 345.446 3.207 30 40 EGEB CN(C)c1ccc(/C=C2\C(=O)ON=C2c2cccc([N+](=O)[O-])c2)cc1 12414017 ZLGAVCDOBWWZJO-YBEGLDIGSA-N 337.335 3.005 30 40 EGEB N#Cc1cnn(-c2nnc(-c3ccc(F)cc3)c3ccccc23)c1N 38237 FCMHAGNXPSMDCZ-UHFFFAOYSA-N 330.326 3.075 30 40 EGEB CC[C@@H]1S/C(=N/N=C(\C)c2ccc(Br)cc2)NC1=O 12419076 CSCSIQBUYKBJIC-AXLKIAQESA-N 340.246 3.171 30 40 EGEB CC(=O)[C@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)C[C@]4(C)[C@]3(F)[C@@H](O)C[C@]12C 6186528 MCAHIIQBOBRLHG-ABHMGBDOSA-N 334.431 3.396 30 40 EGEB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1/N=C/c1cccc2ccccc12 103991171 KCWQNWPQOBZSRR-PQKXKEGESA-N 342.398 3.227 30 40 EGEB CCCCCCCCNC(=O)c1c(O)c2ccccc2n(C)c1=O 2271871 OTYCXPSVWHBGBD-UHFFFAOYSA-N 330.428 3.334 30 40 EGEB N#CCc1cccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)c1 69458005 MDBQCSUTDSVFPJ-QGZVFWFLSA-N 334.375 3.459 30 40 EGEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N(C)CCOc1ccccc1 8938700 SQUYQJZNRPSZRF-UHFFFAOYSA-N 349.390 3.401 30 40 EGEB C=CCN(Cc1ccc(OC)cc1)C(=O)c1cnc2nc(C)[nH]c2c1 96011181 MVIWNIUILCMIDO-UHFFFAOYSA-N 336.395 3.103 30 40 EGEB COc1ccccc1[C@H](CO)Nc1nc(C(F)(F)F)ccc1C#N 71909396 KAFZQODCMLSMDS-LBPRGKRZSA-N 337.301 3.126 30 40 EGEB CCOc1cc2c(cc1/C=N/OCc1cccc([N+](=O)[O-])c1)OCO2 408593476 PTOIIJZBLAMKII-GIJQJNRQSA-N 344.323 3.273 30 40 EGEB C#CCOc1ccc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1OC 408595475 XBXFHVXQTDDSNG-XDHOZWIPSA-N 340.335 3.166 30 40 EGEB CCO[C@@]1(C(=O)Nc2ccc(OC(C)=O)cc2C#N)CCC[C@@H](C)C1 225833359 GGXFUKJTEMEVLY-YJYMSZOUSA-N 344.411 3.407 30 40 EGEB C[C@@H]1CCCCN1CCCCNC(=O)CCc1ccc(C#N)cc1 46988544 RJDJRZGHDFVDDA-QGZVFWFLSA-N 327.472 3.262 30 40 EGEB Cc1[nH]c2ccccc2c1/C=N/N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]2C1=O)C31CC1 5024038 HFFAZLHMEAXMCV-WSMSYXDESA-N 345.402 3.007 30 40 EGEB COc1cc(/C(C)=N/Nc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 5480191 NVWGXGJSCIDECQ-WOJGMQOQSA-N 345.355 3.457 30 40 EGEB Cc1ccc(-c2nnc(S)n2/N=C\c2ccc([N+](=O)[O-])cc2)cc1 4898411 QAAZNAUPWJAYRO-YVLHZVERSA-N 339.380 3.333 30 40 EGEB CC(=O)c1ccc(N2CCN(c3ccc(C#N)cc3F)CC2)c(F)c1 58157855 FEADCLAIMRYKOZ-UHFFFAOYSA-N 341.361 3.366 30 40 EGEB C=CCOc1ccc(CN(C)C(=O)c2ccccc2[N+](=O)[O-])cc1 23526865 MGMQIMNUWPJQFF-UHFFFAOYSA-N 326.352 3.432 30 40 EGEB N#Cc1cccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1 47880548 LHQYXXUTGRAKGT-UHFFFAOYSA-N 325.799 3.174 30 40 EGEB COc1cc(CN(C)c2nnc(C)c(C)c2C#N)ccc1SC 58278716 GJDMJYIGKKTIMF-UHFFFAOYSA-N 328.441 3.332 30 40 EGEB Cc1ccc(C)c(NC(=O)c2sc3nc(N)c(C#N)cc3c2N)c1 18191080 GMVQCKOQAUFSSO-UHFFFAOYSA-N 337.408 3.202 30 40 EGEB CCC(C)(C)C1CCC2(CC1)NC(=O)N(C[C@@H](C#N)CCC#N)C2=O 13000350 WEPKDPXCBWSBMZ-TZGCNFNXSA-N 344.459 3.347 30 40 EGEB CC(=O)Nc1ccc(/C=C/C(=O)c2ccc(OCC(=O)O)cc2)cc1 13344099 DFZAQXDJBKPRJD-NYYWCZLTSA-N 339.347 3.005 30 40 EGEB COc1ccc(F)cc1[C@@H](C)Nc1ncnc2c1cnn2CCC#N 65519811 SNCXXDVWJGVRKK-LLVKDONJSA-N 340.362 3.061 30 40 EGEB C[C@H](Sc1ccccc1C(=O)O)C(=O)Nc1ccccc1C#N 15589874 GPPLXEAAGUJAFB-NSHDSACASA-N 326.377 3.376 30 40 EGEB N#C[C@@H](NC(=O)CCCOc1cccnc1)c1ccccc1Cl 80276897 RZKZRVRRCXHXAH-MRXNPFEDSA-N 329.787 3.275 30 40 EGEB C=CCN(C(=O)C1CCN(CC(F)(F)F)CC1)c1ccccc1 71902847 ZUOTYVSOCLAZHB-UHFFFAOYSA-N 326.362 3.480 30 40 EGEB COc1cc(F)c([C@@H](C)NC(=O)c2cccc(CC#N)c2)cc1OC 74611018 WWEKYBMCQAHBLV-GFCCVEGCSA-N 342.370 3.400 30 40 EGEB C=CCNC(=O)[C@@H]1[C@@H]2CC[C@@]3(CC(=O)c4cc(Cl)ccc4O3)[C@H]21 248022857 VBHRUMJEJJKFRF-TWIYPKMFSA-N 331.799 3.002 30 40 EGEB Cc1ccc(Cl)c2c1NC(=O)/C2=N\Nc1ccccc1[N+](=O)[O-] 16916707 YIWFVZVLMVTVKP-UHFFFAOYSA-N 330.731 3.325 30 40 EGEB COc1cccc(/C=N\CCC/N=C\c2cccc(OC)c2O)c1O 17354621 AMFPWWBMBWSHLQ-FDYZEBBJSA-N 342.395 3.043 30 40 EGEB Cc1nc(S[C@H](C)C(=O)Nc2cccc(C#N)c2)nc(C)c1C 7253000 GHPJGHPHGWHBPP-CYBMUJFWSA-N 326.425 3.393 30 40 EGEB COc1ccccc1/C=C/C(=O)c1c(OC)cc(O)c(OC)c1O 59773784 CRKKMWPCJTZZRE-CMDGGOBGSA-N 330.336 3.020 30 40 EGEB endogenous COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H]2CCCO2)cc1 69421231 IVWUSQUCODOIKF-KRWDZBQOSA-N 338.363 3.477 30 40 EGEB O=C(Nc1ccccc1C#Cc1ccccc1)N1CC[C@H](CCO)C1 89821669 FUSRZLPKANLZHH-GOSISDBHSA-N 334.419 3.323 30 40 EGEB CCC(=O)c1ccc(OCC(=O)[C@@H](C#N)c2nc(C)cs2)cc1 23326477 HHOVUCXCNHHOJE-CQSZACIVSA-N 328.393 3.300 30 40 EGEB C=CCN(Cc1ccccc1F)C(=O)c1ccc(-n2cccn2)nc1 58246374 CSCXTLFIPRMCKW-UHFFFAOYSA-N 336.370 3.235 30 40 EGEB N#CCSc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1 3359925 HXKGTJBIDUNJDQ-UHFFFAOYSA-N 325.368 3.200 30 40 EGEB Cc1ccccc1/N=C1/N=C(S)N(CC#N)[C@@]12CCOC(C)(C)C2 18177708 CWZBLBUWNZTYOW-GOSISDBHSA-N 342.468 3.478 30 40 EGEB COCCOc1ccc(CNc2cc(C#N)c3ccccc3n2)cn1 72290336 CTYPHZOMBFJUIJ-UHFFFAOYSA-N 334.379 3.139 30 40 EGEB Cc1n[nH]c(/N=C(\O)[C@H]2CC(c3ccc(Cl)cc3Cl)=NO2)n1 95349709 GWZQXLCXUDTSCD-LLVKDONJSA-N 340.170 3.201 30 40 EGEB N#Cc1ccc(S[C@@H]2CCN(C3CC3)C2=O)cc1C(F)(F)F 95997453 NMPNUSCXYAXEDG-CYBMUJFWSA-N 326.343 3.432 30 40 EGEB CS[C@@H](C)/C(O)=N/S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 78612395 CRPOGJQQDRJFNZ-LURJTMIESA-N 345.339 3.241 30 40 EGEB N#Cc1cc(N2CC[C@H](c3ccncc3)C2)ncc1Br 603404419 YPVFDVKKXOJOEF-LBPRGKRZSA-N 329.201 3.105 30 40 EGEB Cc1ccc(S(=O)(=O)N/N=C/c2ccc3ccccc3c2O)cc1 83977 RASUVFKVTMTNBV-XDHOZWIPSA-N 340.404 3.166 30 40 EGEB Cc1ccc(-c2nnc(-n3ncc(C#N)c3N)c3ccccc23)cc1 38236 TXZCSPFFQGNADB-UHFFFAOYSA-N 326.363 3.245 30 40 EGEB CCCCCCCCNC(=O)c1c(O)n(C)c2ccccc2c1=O 136469491 JPJWLOVPRUVNPQ-UHFFFAOYSA-N 330.428 3.334 30 40 EGEB C[C@H](OC(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 104006970 VMJCRDFZATXZJK-KDDMCQSNSA-N 340.423 3.044 30 40 EGEB COCCOc1ccc(C(=O)/C=C/c2ccc(C#N)cc2)cc1OC 44027623 DBOIHYAUMONAIX-VQHVLOKHSA-N 337.375 3.488 30 40 EGEB N#Cc1cc(NCc2ccccc2Cn2cncn2)nc2ccccc12 76018003 YXJKFZVBBRRAGT-UHFFFAOYSA-N 340.390 3.358 30 40 EGEB C=CCCC(=O)N[C@H](CC)c1ccccc1OCC(=O)N1CCCC1 65606229 KJERAAXFAQTYJN-QGZVFWFLSA-N 344.455 3.221 30 40 EGEB CC(=O)Nc1ccc(SCC(=O)NC2(C#N)CCCCC2)cc1 6905581 AIMJJUAKHOVOAS-UHFFFAOYSA-N 331.441 3.080 30 40 EGEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@H](C(F)(F)F)C1 18233220 AHTOAIRIWYTYDI-AAEUAGOBSA-N 326.318 3.126 30 40 EGEB C/N=C1\S/C(=C\c2ccc(N3CCCCC3)cc2OC)C(=O)N1C 409241341 RIXKKQCBZHQNCL-UGZHYMOWSA-N 345.468 3.217 30 40 EGEB COCc1ccc([C@H]2CCCN2C(=O)NCc2cccc(C#N)c2)o1 97148010 QZVFPWYDMGZJRZ-QGZVFWFLSA-N 339.395 3.344 30 40 EGEB N#Cc1ccc(CN2CCC[C@H]2c2nc(-c3ccc(F)cn3)no2)cc1 49155353 IANZHZONLBVPBC-KRWDZBQOSA-N 349.369 3.479 30 40 EGEB biogenic,in-vitro CN(C[C@@H]1CCOC1)C(=O)c1ccccc1Oc1ccccc1C#N 96496122 ZLNPJIKMYAMMJS-HNNXBMFYSA-N 336.391 3.459 30 40 EGEB Cc1c(Cl)cnc(N[C@@H]2CCCN(CC(F)(F)F)C2)c1C#N 590702754 HTHGTFJDKCXHES-SNVBAGLBSA-N 332.757 3.354 30 40 EGEB C=CCNCc1ccc(OCC(=O)Nc2ccc(C)cc2)c(OC)c1 13731411 IWGDMTILSGZHRV-UHFFFAOYSA-N 340.423 3.297 30 40 EGEB Cc1ccc2nc(C3=C(N)N(c4ccc(Cl)cc4)CC3=O)[nH]c2c1 5182818 FMOSTQMVGHGRNB-UHFFFAOYSA-N 338.798 3.241 30 40 EGEB C[C@@H](NC(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1cccs1 40481456 IPXUFIQRWLWGBI-CYBMUJFWSA-N 340.452 3.109 30 40 EGEB O=C(/C=C1\NCCc2cc3c(cc21)OCO3)C[C@@H]1C[C@@H]2CC[C@H]1C2 105382731 CBAXMSGGEBAKNN-UKBRMVGDSA-N 325.408 3.297 30 40 EGEB O=C1CCCC2=C1C(c1ccccc1[N+](=O)[O-])C1=C(CCCC1=O)N2 25326288 OOYYWQLCBNAPNT-UHFFFAOYSA-N 338.363 3.296 30 40 EGEB Cc1cc(NC(=O)CCCOCCc2ccccc2)n(CCC#N)n1 58289373 GVJBZJCIQIVDLO-UHFFFAOYSA-N 340.427 3.083 30 40 EGEB CC(C)NC(=O)c1cccc2c1CCCN2C(=O)c1ccc(C#N)cc1 11076291 SIQJINLXFNUXOU-UHFFFAOYSA-N 347.418 3.289 30 40 EGEB COc1ncccc1CNCc1cnc2c(c1)c(C#N)cn2C(C)(C)C 48353509 BIBXMWYZSHNTFQ-UHFFFAOYSA-N 349.438 3.356 30 40 EGEB COc1cccc([C@@H]2CCCN2CC(=O)Nc2ccccc2C#N)c1 8727403 ZAKXHDWUHTYDHY-IBGZPJMESA-N 335.407 3.342 30 40 EGEB O=S(=O)(N/N=C1/CCSc2c(F)cccc21)c1ccccc1 71928301 AQRQVEUFQNOLDB-VKAVYKQESA-N 336.413 3.004 30 40 EGEB COc1cccc(/C=C2\Oc3c(ccc(O)c3CN(C)C)C2=O)c1 13653647 RMYCYUMPGQBDNX-YVLHZVERSA-N 325.364 3.079 30 40 EGEB C#CCNC(=O)CSc1ncc(-c2ccc(F)cc2)n1CC(C)C 19192281 OZJWWEUJBXUTMX-UHFFFAOYSA-N 345.443 3.187 30 40 EGEB Cc1cc(C(=O)Cn2cnc(C#N)n2)c(C)n1-c1ccc(Cl)cc1 14143263 WXKPHYXCSSQLGT-UHFFFAOYSA-N 339.786 3.094 30 40 EGEB C[C@@H](CC#N)N(C)S(=O)(=O)c1c(Cl)cccc1C(F)(F)F 72292496 LAXHYUBJHBAURT-QMMMGPOBSA-N 340.754 3.281 30 40 EGEB N#Cc1ccc(C(=O)NCCc2csc(-c3ccccc3)n2)nc1 84839672 DRFUMGJCJBFACC-UHFFFAOYSA-N 334.404 3.049 30 40 EGEB CCOC(=O)/C(=N\Nc1ncnc2ccccc12)c1ccc(F)cc1 98053227 DKBRNHDQSHDALC-JWGURIENSA-N 338.342 3.148 30 40 EGEB C#CCN(CC1CC1)C(=O)c1sc2nc(CC)nc(C)c2c1C 89289892 BAVXSOYXYDJMHT-UHFFFAOYSA-N 327.453 3.356 30 40 EGEB C#CCOc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1 409029661 AASRWHKGWHGXQS-WNFQYIGGSA-N 342.214 3.413 30 40 EGEB C=CCN(C(=O)/C=C/c1cc(OC)c2c(c1)OCCO2)C1CCCC1 40156859 QGOCLDNCYLPIQY-CMDGGOBGSA-N 343.423 3.437 30 40 EGEB CCCCCCCCNS(=O)(=O)c1ccc(OC)c(C(=O)O)c1 226856714 QVIMMQLCXUWBNX-UHFFFAOYSA-N 343.445 3.032 30 40 EGEB CC(C)C[C@@H](C)S(=O)(=O)/N=C(\O)c1ccnn1C1CCCC1 96478862 MEZCUTKIARFYGA-GFCCVEGCSA-N 327.450 3.067 30 40 EGEB C=CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(OC)cc1 5687031 KGKMEEULBBCKNH-SFHVURJKSA-N 349.386 3.460 30 40 EGEB CCOP(=O)(OCC)[C@@H](c1ccccc1)n1ncc(C#N)c1N 5871704 GAAMGZKWAJOKIY-HNNXBMFYSA-N 334.316 3.150 30 40 EGEB O=C1CCCC2=C1[C@@H](c1cccc(Cl)c1Cl)n1nnnc1N2 12348349 UBLDGODFFNTQKA-CYBMUJFWSA-N 336.182 3.002 30 40 EGEB C#CCOc1ccc(/C=C2/N=C(c3cccc(C)c3)OC2=O)cc1OC 4997986 NEZPLVVEGJCBLF-SFQUDFHCSA-N 347.370 3.360 30 40 EGEB CNC(=S)N/N=C/c1cccc(NC(=O)c2ccc(Cl)cc2)c1 24035754 OJAUCEPBLHXYTC-VXLYETTFSA-N 346.843 3.020 30 40 EGEB CCOC(=O)C1=C(C)Nc2ccccc2N=C1/N=C(\O)[C@H]1CCCO1 69341502 SCBMCAFINFCVDK-CQSZACIVSA-N 343.383 3.115 30 40 EGEB Cc1cc(C(=O)Nc2ccc(-n3ncc(C#N)c3N)cc2)ccc1F 75582799 FFZXLSOTUCURGX-UHFFFAOYSA-N 335.342 3.026 30 40 EGEB C#CCOc1ccc(NC(=O)N(C)C[C@@H](C)c2nccs2)cc1 97107446 CLTVWJRJCQVXFE-CYBMUJFWSA-N 329.425 3.423 30 40 EGEB CCOc1cccc(C(=O)/C=C/c2ccc(S(C)(=O)=O)cc2)c1 67807164 YBEXKDYEYMNWSH-FMIVXFBMSA-N 330.405 3.385 30 40 EGEB Cc1ccccc1C(C)(C)CNC(=O)C(=O)Nc1ccc(CC#N)cc1 69352098 VLQZFKXLIBDHMB-UHFFFAOYSA-N 349.434 3.094 30 40 EGEB N#C[C@H](NC(=O)[C@@H]1Cc2ccccc2O1)c1c(F)cccc1Cl 69698939 LOECVEWRRSVVRB-ZFWWWQNUSA-N 330.746 3.164 30 40 EGEB Cc1nc(C(C)(C)C)sc1C(=O)[C@@H](C#N)C(=O)N1CCCCC1 103718639 WZKWRRURAIXHGJ-GFCCVEGCSA-N 333.457 3.084 30 40 EGEB COc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1[N+](=O)[O-] 297760 HSOQUALOQPXBDW-CPNJWEJPSA-N 341.367 3.191 30 40 EGEB COC(=O)c1c(/N=C/c2ccc(C)cc2O)sc2c1CCN(C)C2 247985 MRDSOCFTJOHKKW-DJKKODMXSA-N 344.436 3.287 30 40 EGEB COc1ccc(CN2C(=O)/C(=N\O)c3c(C)ccc(C)c32)cc1OC 102432949 XYKPTOLUPGICES-JZJYNLBNSA-N 340.379 3.046 30 40 EGEB COc1ccccc1/C=C1\Oc2cc(OC(=O)N(C)C)ccc2C1=O 12662785 GFDIBSOYBNPWAY-YVLHZVERSA-N 339.347 3.372 30 40 EGEB biogenic C=CCOc1ccc(/C=N/n2cnc3c([nH]c4ccccc43)c2=O)cc1 2266746 HDWUUGQNKFYFJX-WSDLNYQXSA-N 344.374 3.325 30 40 EGEB COC(=O)c1ccc(/C=N/OCC(=O)NC2CCCCCCC2)cc1 3321229 MDSUBMUUUNOBIP-DEDYPNTBSA-N 346.427 3.053 30 40 EGEB Cc1cc(NCCCn2ccnc2)n2c(nc3ccccc32)c1C#N 4075381 LZCIPFUNINREFX-UHFFFAOYSA-N 330.395 3.366 30 40 EGEB N#CCSc1nc2ccsc2c(=O)n1Cc1ccc(F)cc1 4262931 BUNAWQNRHACFHM-UHFFFAOYSA-N 331.397 3.261 30 40 EGEB CO/N=C1/C[C@@H](C)Cc2c1c(-c1cccc(OC)c1OC)nn2C 5211819 TZLYNSLRPHUOOK-RGWKGUTDSA-N 329.400 3.037 30 40 EGEB COc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1OC 409045943 QFEUHJVLJRNPOH-IOXNKQMXSA-N 348.218 3.418 30 40 EGEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(N3CCOCC3)c(F)c2)cc1 409146133 JTHSXTXCIWUNOR-XDHOZWIPSA-N 344.346 3.017 30 40 EGEB Cc1cccc(N2CCO[C@@H]2c2cn(Cc3cccc(C#N)c3)nn2)c1 216759696 FTBQBBFGMRSCBY-HXUWFJFHSA-N 345.406 3.042 30 40 EGEB Cc1ncnc(OCC2CCN(Cc3ccc(C#N)cc3)CC2)c1C 1565520759 MYWWGGNSOKONOP-UHFFFAOYSA-N 336.439 3.256 30 40 EGEB C=CCOc1ccc(C(=O)Nc2cccc(-c3noc(O)n3)c2)cc1 57751963 BFYWEMKTOUBGBS-UHFFFAOYSA-N 337.335 3.259 30 40 EGEB N#Cc1cnn(-c2ccc(C(=O)N3CCC[C@H]3C3CCCC3)cc2)c1N 66240992 IUPHARCBLKTHPJ-SFHVURJKSA-N 349.438 3.121 30 40 EGEB CCOP(=O)(OCC)[C@H](c1ccccc1)n1ncc(C#N)c1N 5871726 GAAMGZKWAJOKIY-OAHLLOKOSA-N 334.316 3.150 30 40 EGEB CC(C)(C)C(=O)NC1CCN(c2cc(C#N)c3ccccc3n2)CC1 2087130525 NDBMEJDSUZSSFA-UHFFFAOYSA-N 336.439 3.238 30 40 EGEB CC(=O)/C(=N/Nc1cccc([N+](=O)[O-])c1)N1CCCc2ccccc21 6511052 DMGICRKCOMLXRX-ZZEZOPTASA-N 338.367 3.362 30 40 EGEB C=CCOC(=O)OC(OC(=O)OCC=C)C(Cl)(Cl)Cl 1675051 JDLIDAUFJADWPO-UHFFFAOYSA-N 333.551 3.361 30 40 EGEB CC(C)(C)c1noc(CN2CCC(Oc3cccc(C#N)c3)CC2)n1 104713052 NJFDKCBWFPWUML-UHFFFAOYSA-N 340.427 3.282 30 40 EGEB CC1CCN(C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@@H]4C[C@@H]32)CC1 12660032 CDNNTTNHJTXEIK-WHHPXKAQSA-N 347.499 3.245 30 40 EGEB biogenic S=C(NN=C1CCN(Cc2ccccc2)CC1)NC1CCCCC1 57428263 VDJVLUGHIDJMNX-UHFFFAOYSA-N 344.528 3.435 30 40 EGEB N#Cc1ccccc1N1CCCN(c2ncnc3sccc23)CC1 44976100 CXEYSSQOTPNSGY-UHFFFAOYSA-N 335.436 3.280 30 40 EGEB COc1ccc2[nH]cc(C[C@@H](C#N)C(=O)Nc3ccc(O)cc3)c2c1 61717867 BDDIEKFZLRMQLB-LBPRGKRZSA-N 335.363 3.203 30 40 EGEB N#C[C@@H](NC(=O)[C@H]1Cc2ccccc2O1)c1c(F)cccc1Cl 69698942 LOECVEWRRSVVRB-UKRRQHHQSA-N 330.746 3.164 30 40 EGEB N#CCCn1ncc2c(NCc3ccsc3-n3cccc3)ncnc21 97199930 YVZMFDUWNGSLOI-UHFFFAOYSA-N 349.423 3.204 30 40 EGEB C#CCOc1cc(F)ccc1NC(=O)N[C@H](C)c1c(C)noc1C 72303965 WQVJRERDSYLPRH-SNVBAGLBSA-N 331.347 3.325 30 40 EGEB O=c1c2ccccc2nc(O)n1N=Cc1ccc(Cl)c(Cl)c1 409340673 AGLLDHHYSABYQE-UHFFFAOYSA-N 334.162 3.291 30 40 EGEB COc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)c(C#N)c1 225769784 DCKVJGUVSSVWLK-UHFFFAOYSA-N 336.391 3.254 30 40 EGEB Cc1cccc(S(=O)(=O)N2CCCC[C@H]2c2ccco2)c1C#N 331986687 UIOYNSSRWBEMHX-HNNXBMFYSA-N 330.409 3.376 30 40 EGEB CN(CCOc1ccc(C(F)(F)F)cc1)C(=O)c1c[nH]c(C#N)c1 190902091 GESXTSYCYFEGBR-UHFFFAOYSA-N 337.301 3.056 30 40 EGEB Cc1ccncc1CC(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F 596852297 LLGXVOZABWGOJK-UHFFFAOYSA-N 347.340 3.395 30 40 EGEB C=CCSc1nnc(CNC(=O)c2ccc(Cl)cc2)n1CC 5912091 SLEYGBSGUILAFB-UHFFFAOYSA-N 336.848 3.160 30 40 EGEB N#CC1(C#N)[C@H]2CCCC[C@]23OC(=N)[C@@]1(C#N)[C@@H](c1cccs1)O3 4558396 BVAZBPHICLDVKX-KFZJALRRSA-N 338.392 3.257 30 40 EGEB C=CCN1C(=O)/C(=C\Nc2ccc(C(=O)OCC)cc2)SC1=S 11667066 OTHOJSROEXSUJJ-JLHYYAGUSA-N 348.449 3.163 30 40 EGEB C=C(C)C(=O)OCCc1ccc(N2C(=O)c3ccccc3C2=O)cc1 3114373 LETHTANOPPAOAG-UHFFFAOYSA-N 335.359 3.149 30 40 EGEB COc1ccc(C(=O)N2C[C@@]3(C)[C@H]4CC[C@]3(C)[C@@]2(C#N)C4)cc1OC 100920515 LPPVWMDNFLZLBE-DSYPUSFNSA-N 340.423 3.248 30 40 EGEB Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccc3c(c2)OCO3)n1 1466040 FWGGPUIEAQRLDJ-UHFFFAOYSA-N 341.392 3.030 30 40 EGEB N#CC1(NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)CCC1 60193557 SIEFZZOCLJNPOE-GOSISDBHSA-N 347.418 3.110 30 40 EGEB C=CCN(CCc1ccccc1)C(=O)c1cc(C)nc2c1c(C)nn2C 58244863 JJJZXKLWFQMREA-UHFFFAOYSA-N 348.450 3.456 30 40 EGEB N#Cc1c(F)cccc1N1CCN(C(=O)Oc2ccccc2)CC1 58402861 DBTZMKAFFORFMN-UHFFFAOYSA-N 325.343 3.018 30 40 EGEB COc1cc(N2CCOCC2)ccc1/C=N\c1cccc([N+](=O)[O-])c1 409231979 MIMMMEPWMVYFAE-UYRXBGFRSA-N 341.367 3.191 30 40 EGEB COc1ccccc1C[C@H]1CCCN(C(=O)c2cc(C#N)cn2C)C1 81731879 XGHZGWCCPKZHLJ-OAHLLOKOSA-N 337.423 3.000 30 40 EGEB CCOc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])cc(Cl)c1O 409097128 LOKOLAAXXVONDV-CAOOACKPSA-N 336.735 3.194 30 40 EGEB CCOC(=O)c1sc2ccsc2c1CNC(=O)C(C)(C)C#N 69900528 ODGUBJBISKSQRF-UHFFFAOYSA-N 336.438 3.305 30 40 EGEB O=C(Cn1cc(/C=N/c2ccccc2)c2ccccc21)N1CCOCC1 408960007 BRKVSGJXQIVICL-HYARGMPZSA-N 347.418 3.251 30 40 EGEB CCC(=O)OCCNc1nc(SC)nc(-c2ccccc2)c1C#N 8844202 YQKVBJBIAFIZHP-UHFFFAOYSA-N 342.424 3.102 30 40 EGEB C#CCOc1ccc(NC(=O)NCc2nnc(C(C)(C)C)s2)cc1 96466939 PUCWDRJSWDZLDX-UHFFFAOYSA-N 344.440 3.169 30 40 EGEB CC[C@H](CC#N)NC(=O)Nc1ccc(C)cc1OC[C@H]1CCCO1 95942651 DXLKFWFYQJXPHY-HUUCEWRRSA-N 331.416 3.367 30 40 EGEB CCOC(=O)c1c(/N=C/c2ccccc2O)sc2c1CCN(C)C2 33900013 MSLRHWYIYPCUCH-VXLYETTFSA-N 344.436 3.369 30 40 EGEB O=C(ON1C(=O)c2cccc3c(Cl)ccc(c23)C1=O)c1ccco1 138833159 WBNLNEAYKWPMSV-UHFFFAOYSA-N 341.706 3.454 30 40 EGEB CO[C@]1(C(=O)Nc2ccc(OC(C)=O)c(C#N)c2)CCC[C@H](C)C1 225809682 REFJEMPXBZPSRE-KPZWWZAWSA-N 330.384 3.017 30 40 EGEB CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(C#N)cc1 226760333 MRKUPFJNRYAJLD-SFHVURJKSA-N 336.391 3.089 30 40 EGEB Cc1cscc1/C(O)=N/S(=O)(=O)Cc1ccc(F)cc1F 95451905 BUADPEFTIKGYTF-UHFFFAOYSA-N 331.365 3.169 30 40 EGEB COc1cc(/C=C2\COc3ccc(F)cc3C2=O)cc2c1OCCO2 584906797 TYSVFRRWMPHISF-WUXMJOGZSA-N 342.322 3.264 30 40 EGEB Cc1cc(C)n(/N=C/c2cc(Cl)cc(Cl)c2O)c(=O)c1C#N 54644 BOQDSEPJFAGBCA-FBCYGCLPSA-N 336.178 3.231 30 40 EGEB COC(=O)[C@@H](Cc1c[nH]cn1)N=C(c1ccccc1)c1ccccc1 8651832 CUWILEAFPRNUMW-GOSISDBHSA-N 333.391 3.031 30 40 EGEB CNc1nc2c(C)cccn2c(=O)c1/C=N/c1cccc(Cl)c1 494887 RNUDKMAUHNTJRZ-KEBDBYFISA-N 326.787 3.449 30 40 EGEB COc1ccccc1N1CCN(c2snc(Cl)c2C#N)CC1 47405327 WMFFKNCHMZIXSO-UHFFFAOYSA-N 334.832 3.003 30 40 EGEB COc1ccc(NCC(=O)Nc2cccc(C#N)c2)cc1OC(F)F 12522593 DFZNTNGZIVRNRF-UHFFFAOYSA-N 347.321 3.219 30 40 EGEB C=CCNC(=O)c1ccccc1NC(=O)c1ccc(C(F)(F)F)nc1 26437569 VCKIQMMXRACQGK-UHFFFAOYSA-N 349.312 3.269 30 40 EGEB Cc1cc(C)c(C#N)c(S[C@@H](C)C(=O)NCc2ccccc2)n1 5642533 QQJSIWOZQCIGLX-AWEZNQCLSA-N 325.437 3.367 30 40 EGEB CCN(CC)C(=S)SCC(=O)N(C)C1(C#N)CCCCC1 7736701 NZVRDGNDFSTNHY-UHFFFAOYSA-N 327.519 3.031 30 40 EGEB CCO[C@@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc(OC)cc2)cs1 70017842 VSWPGKJNTJFRKR-FZMZJTMJSA-N 330.409 3.420 30 40 EGEB COc1c([C@@H]2CCCN2Cc2ccc(C#N)cc2F)c(C)nn1C 72253713 PDNUPFJAGLKUOX-INIZCTEOSA-N 328.391 3.085 30 40 EGEB N#Cc1cc(NCc2cccc(N3CCCC3=O)c2)ccc1[N+](=O)[O-] 97379704 JVQDASSGLXBJEV-UHFFFAOYSA-N 336.351 3.205 30 40 EGEB Cc1sc(NC(=O)CSc2ccc([N+](=O)[O-])cn2)c(C#N)c1C 409175313 ZDMAEIRYVMWLAD-UHFFFAOYSA-N 348.409 3.271 30 40 EGEB N#CCCn1c2c(sc1=O)[C@H]1c3ccccc3OC[C@H]1CS2 32594742 KWSCKUKCRVAFGH-GXFFZTMASA-N 330.434 3.070 30 40 EGEB O=Cc1ccc(C#CCCCCN2C(=O)c3ccccc3C2=O)cc1 73633285 AMIHARCFKMJCFM-UHFFFAOYSA-N 331.371 3.317 30 40 EGEB Cc1ccc(N2CCO[C@H]2c2cn(Cc3cccc(C#N)c3)nn2)cc1 216761647 VJGSZTHETGIWSN-FQEVSTJZSA-N 345.406 3.042 30 40 EGEB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)NC1(C#N)CCSCC1 535950713 ZJKLZNPDAPYJOC-BZUAXINKSA-N 338.517 3.369 30 40 EGEB C=CC[C@@H](CC)NC(=O)Nc1cccc(CS(=O)(=O)C(C)C)c1 390835090 CHSXOXLPFCUSPW-OAHLLOKOSA-N 338.473 3.486 30 40 EGEB N#Cc1ccc(Br)cc1NCc1cn2c(n1)CCCC2 1615055422 BKBYKZLSPYBABJ-UHFFFAOYSA-N 331.217 3.466 30 40 EGEB N#Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)nc1 51953483 LUESBSWCOFOADS-UHFFFAOYSA-N 328.180 3.061 30 40 EGEB C=C1C(=O)O[C@H]2C[C@H]1[C@@H](O)C/C(C)=C/CC/C(C)=C\[C@@H](O)C[C@H]2C 52429286 GQTPRLWQZDUWKJ-XVLOBZGPSA-N 334.456 3.299 30 40 EGEB N#C[C@H](C(=O)[C@H]1CC(c2ccccc2)=NO1)c1nc2ccccc2o1 54736426 LSNSZTZLDGDBSA-CXAGYDPISA-N 331.331 3.197 30 40 EGEB CC(=O)Oc1ccc2c(c1)[C@H]1c3ccccc3[C@H]2[C@H]2C(=O)C=CC(=O)[C@H]12 100520809 JSOZWJZOWBXDAX-GXRSIYKFSA-N 344.366 3.143 30 40 EGEB CCCCCCCNC(=S)N/N=C\c1ccc(OC)c(OC)c1 104377992 YPNAKTMHXXFUDV-UYRXBGFRSA-N 337.489 3.472 30 40 EGEB N#Cc1c(CN(Cc2ccc(C(N)=O)cc2)C2CC2)cn2ccccc12 58171233 PKKJFDANWBWZTR-UHFFFAOYSA-N 344.418 3.074 30 40 EGEB C[C@@H](/C(O)=N/c1nc(-c2ccccn2)n[nH]1)n1cnc2ccccc21 44978208 ANQVUSCYONZYQK-NSHDSACASA-N 333.355 3.066 30 40 EGEB CCc1nc2ccccc2n1CC(=O)N(C)c1ccc(C#N)cc1F 58367638 QXEGMWCTSCCCOG-UHFFFAOYSA-N 336.370 3.272 30 40 EGEB C=CCOc1cccc(/C=N/NCc2ccc(OC)c(OC)c2)c1 20196247 YJXYSBYDEDPNPR-DEDYPNTBSA-N 326.396 3.392 30 40 EGEB COc1nc2ccccc2nc1[C@@H](C#N)C(=O)Nc1cccc(C)c1 5483266 HPHWWUFRAUNDJB-CQSZACIVSA-N 332.363 3.193 30 40 EGEB CC(=O)Nc1ccc(/C=N/O[C@@H](C)C(=O)N(C)c2ccccc2)cc1 14329976 YFWTXAPDRTXWRN-ZXOFLVKFSA-N 339.395 3.047 30 40 EGEB N#CC1(NC(=O)CNc2ccccc2N2CCCCC2)CCCC1 15357045 UAPHPLVYVVMMPD-UHFFFAOYSA-N 326.444 3.041 30 40 EGEB CC(C)c1ccc([C@@]2(C)NC(=O)N(C[C@@H](C#N)CCC#N)C2=O)cc1 7206921 JWSFONPXYFRKPC-AUUYWEPGSA-N 338.411 3.021 30 40 EGEB N#Cc1cccc(COC(=O)CCCNc2ccccc2[N+](=O)[O-])c1 7372398 QBWZCRQGKIOCLH-UHFFFAOYSA-N 339.351 3.402 30 40 EGEB Cc1cc(F)cc(S(=O)(=O)/N=C(\O)Cc2ccccc2CC#N)c1 97138841 ZQGNNYGEVMXPHR-UHFFFAOYSA-N 346.383 3.088 30 40 EGEB CCOc1cccc(/C=N/N=c2/sc3ccccc3n2C)c1O 38166466 DIGYCPIQOCZJKH-HIIRIOHQSA-N 327.409 3.279 30 40 EGEB CCCCCCCNC(=O)C(=O)Nc1cccc(Br)c1 408707526 NXGYOBNPQSKBQQ-UHFFFAOYSA-N 341.249 3.474 30 40 EGEB Cc1c(C(=O)Oc2ccc(F)c3c2C(=O)C[C@@H]3C)cnn1CCC#N 585125832 HBRGLCGBIZEPCQ-JTQLQIEISA-N 341.342 3.153 30 40 EGEB C=CCOc1ccccc1C(=O)N[C@H](CO)c1csc(C(C)C)n1 585130168 JTZLLSODMMMGAB-CQSZACIVSA-N 346.452 3.295 30 40 EGEB COc1ccccc1OCC#CCNC(=O)c1cccc(Cl)c1 90610360 PVUZIGHYHCCNTJ-UHFFFAOYSA-N 329.783 3.161 30 40 EGEB C=CC[C@@H](NC(=O)c1[nH]c(CC)c(C(=O)OC)c1C)c1ccncc1 72285358 XSLRIAVUUSSRLW-OAHLLOKOSA-N 341.411 3.114 30 40 EGEB C#CCN(CC#C)Cc1ncc(-c2ccc(Br)cc2)o1 76185277 GZFPEBPFWFDQLG-UHFFFAOYSA-N 329.197 3.173 30 40 EGEB COc1ccc(/C=N/N2CCN(Cc3ccc(C)cc3C)CC2)cc1 19791165 MUGGWZWSKYDPAD-PXLXIMEGSA-N 337.467 3.464 30 40 EGEB O=C1N/C(=N/c2ccccc2F)S/C1=C\c1ccc(O)c(O)c1 5376376 MJJZTMURUMLZOF-ZSOIEALJSA-N 330.340 3.129 30 40 EGEB C=C(C)C(=O)OCCN(CP(=O)(OCC)OCC)C(C)(C)C 38594919 NQPGVLLYKFCPOY-UHFFFAOYSA-N 335.381 3.430 30 40 EGEB C=CCNC(=O)N1CCC(c2ccc3cc(Cl)cnc3n2)CC1 1889997522 IEUTWAALFMEFMS-UHFFFAOYSA-N 330.819 3.358 30 40 EGEB Cc1nn(CCNC(=O)c2cccc(C#N)c2)c(C)c1-c1ccco1 575615283 NHXHSASCNSNHBB-UHFFFAOYSA-N 334.379 3.062 30 40 EGEB C[C@@H](C#N)CSc1ccccc1NCC(=O)N[C@@](C)(C#N)C1CC1 69704042 MYVOXTJNBNPEQY-UGSOOPFHSA-N 342.468 3.159 30 40 EGEB C=CCN(Cc1cccs1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 46330761 SBTQFFJAPDWSAB-UHFFFAOYSA-N 342.380 3.361 30 40 EGEB Cc1cc(NC(=O)CON=C2c3ccccc3-c3ccccc32)no1 2645541 WIKUVBHKXCNESA-UHFFFAOYSA-N 333.347 3.371 30 40 EGEB C#CCn1/c(=N/C(=O)c2c(F)cccc2F)sc2cccc(F)c21 100877868 GDRIDOVBMMMIEF-FXBPSFAMSA-N 346.333 3.494 30 40 EGEB Cn1nc(C(F)(F)F)c(/C=N/OC(=O)c2ccccc2)c1Cl 1391144 MAEYWQBMVWMZJZ-CNHKJKLMSA-N 331.681 3.283 30 40 EGEB CC(C)(CNC(=O)c1ccc(C#N)cc1)N1CCc2ccccc2C1 25461079 RVXLMQTTYRNBFW-UHFFFAOYSA-N 333.435 3.125 30 40 EGEB N#Cc1ccccc1-c1ccccc1C(=O)N[C@@H]1CCN(C2CC2)C1 57553783 YJFHHXJMDVMDJL-MRXNPFEDSA-N 331.419 3.192 30 40 EGEB CC[C@@H](/C(O)=N/S(=O)(=O)c1cccc(C#N)c1)c1ccccc1 48599892 DLTBCECURFPPCB-MRXNPFEDSA-N 328.393 3.397 30 40 EGEB CC(=O)Nc1ccc(/C=C/C(=O)c2c(C#N)c3n(c2C)CCC3)cc1 65593026 ZOHUZSOKTBTYGR-JXMROGBWSA-N 333.391 3.469 30 40 EGEB N/C(=N\OC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc2ccccc12 4723545 FRKGEXNPDFYPQS-UHFFFAOYSA-N 335.319 3.225 30 40 EGEB Cc1nc2cc(C(=O)N[C@@H](C#N)c3ccc(F)cc3F)ccc2n1C 68419109 XKVODMKTGGMNHE-INIZCTEOSA-N 340.333 3.155 30 40 EGEB N#Cc1cc([N+](=O)[O-])ccc1Nc1cccc(N2CCC(O)CC2)c1 69434758 NVKQWPZEJWDEHT-UHFFFAOYSA-N 338.367 3.171 30 40 EGEB C/C(=N/N1CCOCC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 72235800 VESIOCXSNIXBNQ-ATVHPVEESA-N 331.397 3.380 30 40 EGEB O=C(O)c1cccc(/N=C/c2ccc(N3CCOCC3)c(F)c2)c1 409122853 BZMHQSAGEJJQOY-UDWIEESQSA-N 328.343 3.111 30 40 EGEB COC(=O)c1ccc(/N=C/c2ccc(O[C@@H](C)C(=O)O)cc2)cc1 408846952 KTZFPONJWLKGJM-MKFNJMOCSA-N 327.336 3.076 30 40 EGEB CC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccc(Br)cc1 76253602 CRAVRWBNTHJOLJ-CYBMUJFWSA-N 339.258 3.173 30 40 EGEB Cc1ccc(S(=O)(=O)/N=C(\O)Cc2c(C)noc2C)cc1Cl 80298425 OAPSAVXHDGABMS-UHFFFAOYSA-N 342.804 3.141 30 40 EGEB C=C(C)c1ccccc1NC1=NS(=O)(=O)c2cc([N+](=O)[O-])ccc21 95481812 KXSAKSAXEDYPBN-UHFFFAOYSA-N 343.364 3.189 30 40 EGEB Cc1nnc(-c2cccc(C#N)c2)n1CCOc1ccc(C#N)cc1 96416379 JVXMQJUMCYDXDI-UHFFFAOYSA-N 329.363 3.076 30 40 EGEB C=CCN1C(=O)/C(=C/c2c(C)[nH]c3ccccc23)C(O)=NC1=S 1261134 OIFKVTYXFHRYIP-UKTHLTGXSA-N 325.393 3.129 30 40 EGEB biogenic C=CCn1cc(CN2CCC[C@@](O)(c3ccc(F)cc3)CC2)c(C)n1 12188832 RMSZSBTXNZGFNP-FQEVSTJZSA-N 343.446 3.390 30 40 EGEB O=C(/C=C/N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccccc1 19594229 KOOOOSKEDONVRC-ZGKFYVQTSA-N 334.375 3.150 30 40 EGEB COc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc(OC)c1O 5687966 HSZKTDQSQSWPCV-IFRROFPPSA-N 341.289 3.269 30 40 EGEB COc1ccc(C(=O)C2CCN(C[C@@H](C#N)CCC#N)CC2)cc1 32900885 MEXYSWUQGYOWHN-OAHLLOKOSA-N 325.412 3.033 30 40 EGEB N#C[C@@H](C(=O)CCc1ccccc1Cl)C(=O)Nc1ccccn1 103717596 QSZJFRQXRAZGQE-ZDUSSCGKSA-N 327.771 3.015 30 40 EGEB CCOc1ccccc1NC(=O)[C@@H](C#N)Cc1ccc(O)c(OC)c1 57523408 CLHRAWKSLAOOTM-CQSZACIVSA-N 340.379 3.120 30 40 EGEB Cc1ccc(-c2ncc(C(=O)Nc3nc(C#N)c(C#N)[nH]3)s2)c(C)c1 58229872 XFCXIAPQMDSAOE-UHFFFAOYSA-N 348.391 3.146 30 40 EGEB CC(C)N(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(C#N)cc1 58280451 AVZVYMUSJUEZSY-UHFFFAOYSA-N 339.420 3.029 30 40 EGEB C[C@@H](Nc1ccc2c(c1)OCCCO2)C(=O)Nc1cccc(C#N)c1 8404529 OHMZOHQSNXHSKG-CYBMUJFWSA-N 337.379 3.159 30 40 EGEB C[C@H](OC(=O)c1cc2c(s1)CCC2)C(=O)Nc1ccc(C#N)cc1 4462388 UVQPEDNWXKWHFZ-NSHDSACASA-N 340.404 3.292 30 40 EGEB N#Cc1cc(NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)ccc1F 65626123 YMLKIVHOGVAOJE-UHFFFAOYSA-N 333.322 3.305 30 40 EGEB CC(C)OC(=O)COc1ccc2c(c1)O/C(=C\c1ccco1)C2=O 5789799 IBJKQKSXCAOXHU-SXGWCWSVSA-N 328.320 3.226 30 40 EGEB biogenic C=CCSc1nc(N)c(C#N)c(-c2ccc(N(C)C)cc2)c1C#N 67257856 SZRQZYULYLZTDI-UHFFFAOYSA-N 335.436 3.418 30 40 EGEB C=C(C)COc1cccc(C(=O)NCc2ccc3c(c2)OCO3)c1 219782184 FUOCRNOCANSIPG-UHFFFAOYSA-N 325.364 3.300 30 40 EGEB Cc1cc(C)n(-c2ccc(CNc3ncc(C#N)cc3Cl)cn2)n1 69350677 HIQWQMHTJNMLAF-UHFFFAOYSA-N 338.802 3.416 30 40 EGEB N#Cc1cccc(C(=O)NC[C@@H](O)c2ccc(-c3ccco3)s2)c1 1775967756 BWQMDHKSODUMEB-CQSZACIVSA-N 338.388 3.343 30 40 EGEB OCCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103537635 DCPYMVVGFRCXDW-UHFFFAOYSA-N 344.120 3.099 30 40 EGEB C=CCNC(=O)[C@@H](C)Nc1ccc(NC(=O)c2cccs2)cc1 58192680 WWGFEINJTKYXST-GFCCVEGCSA-N 329.425 3.103 30 40 EGEB Cc1cc(C)c(C#N)c(SCc2cc(=O)n3c(C)csc3n2)n1 8429819 CLHMQEGJVHBYFZ-UHFFFAOYSA-N 342.449 3.240 30 40 EGEB Cc1ccc(C(=O)Nc2cccc(/C=N/n3c(C)nnc3C)c2)cc1 7990783 KCIFJUQCIOUHCZ-UDWIEESQSA-N 333.395 3.338 30 40 EGEB CC1(C#N)CCN(Cc2nc(N)c3c4c(sc3n2)CCCC4)CC1 96002338 OUHJMXLDBSLWIN-UHFFFAOYSA-N 341.484 3.278 30 40 EGEB Cc1cnc([C@@H](NC(=O)NCc2ccc(C#N)cc2F)C2CC2)s1 74127806 CVCINXPKMHBGDZ-HNNXBMFYSA-N 344.415 3.413 30 40 EGEB Cn1c(CCCNC(=O)Nc2cccc(C#N)c2)nc2ccccc21 96453056 CKAIGQJUOHHBCS-UHFFFAOYSA-N 333.395 3.199 30 40 EGEB Cc1ccc(S(=O)(=O)/N=C(\O)C[C@H](C)n2cccc2)cc1N(C)C 96475762 SVMZHPZUAMAKAI-AWEZNQCLSA-N 349.456 3.159 30 40 EGEB O=C(O)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 59222212 CSEBNABAWMZWIF-REOHCLBHSA-N 330.049 3.106 30 40 EGEB in-vitro C=CCSc1nnc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)s1 16007988 NRCAAUXGPVHOLQ-UHFFFAOYSA-N 336.398 3.285 30 40 EGEB CO/N=C(/CN1CCN(c2ccccc2F)CC1)c1ccc(F)cc1 20389748 SCOKCLHDACHVAZ-PYCFMQQDSA-N 345.393 3.138 30 40 EGEB N#C[C@@H](C(=O)NC1CCCCC1)C(=O)c1cnc2ccc(F)cc2c1 179612975 MZCIRZVZPYOMMD-MRXNPFEDSA-N 339.370 3.145 30 40 EGEB Cc1cccc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)n1 1008600 DTUAVJFNZZSBMJ-CXUHLZMHSA-N 335.388 3.498 30 40 EGEB C=CCSc1nc(O)c2c(n1)NC(=O)C[C@H]2c1cc(F)cc(F)c1 21784807 IQUCXWFRGXACDU-NSHDSACASA-N 349.362 3.213 30 40 EGEB C=CCN(C(=O)CNc1ccccc1N1CCCC1=O)c1ccccc1 10180127 WHSZPCWLHKZQSK-UHFFFAOYSA-N 349.434 3.445 30 40 EGEB C[C@@H](CNC(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1 12783856 JVXXAGRTKBVCMJ-INIZCTEOSA-N 348.450 3.090 30 40 EGEB C=CCSc1nnc2c(n1)O[C@H](CC)N(C(C)=O)c1ccccc1-2 2470559 GKBFBGCQLGZEMY-CQSZACIVSA-N 342.424 3.298 30 40 EGEB N/C(=N\C(=O)Nc1ccc(Cl)cc1)Nc1nc2ccccc2o1 4211203 OWLNOEYPDFIBJV-UHFFFAOYSA-N 329.747 3.440 30 40 EGEB CC(C)N1C(=O)[C@@](O)(CC(=O)/C=C/c2ccccc2)c2ccccc21 4554693 PZNFMZNHUXXDHA-JNCYCUAHSA-N 335.403 3.302 30 40 EGEB Cc1cc(C)c(C#N)c(SCC(=O)N(C)C2(C#N)CCCCC2)n1 5643450 SVZLPUBIHHKGNI-UHFFFAOYSA-N 342.468 3.347 30 40 EGEB COc1cc(/C=N\c2ccc(N(C)C)cc2)ccc1O[C@H](C)C(=O)O 409013350 NBFYVHGBIRYTDV-UAAGNOOKSA-N 342.395 3.364 30 40 EGEB N#CCC[C@H](NC(=O)N1CCC(n2cccn2)CC1)c1ccccc1 96483311 ROXFNCKEYPYKEI-SFHVURJKSA-N 337.427 3.275 30 40 EGEB C=CCc1cc(C(=O)N[C@@H](C)c2ncc(C)o2)cc(OC)c1OC 95466445 FERMMWHFPFDLBF-LBPRGKRZSA-N 330.384 3.220 30 40 EGEB COCCOC[C@@H]1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C1 78521062 LDVCSLDSLPSRDD-GFCCVEGCSA-N 328.334 3.066 30 40 EGEB C/N=C(/NCc1noc(C)n1)N[C@H](C)c1ccc(Cl)c(Cl)c1 88922249 JMPFUHAMFKCYIF-MRVPVSSYSA-N 342.230 3.111 30 40 EGEB C=CCN1C(=O)/C(=C/c2cc(Cl)cc(OC)c2O)SC1=S 33399278 COJCGXMRZNTGPK-WDZFZDKYSA-N 341.841 3.441 30 40 EGEB COc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc(OC)c1OC 408595413 WRCMKGZBOZBWAS-VCHYOVAHSA-N 346.339 3.171 30 40 EGEB N#Cc1cc2c(nc1S[C@H](C(N)=O)c1ccc(F)cc1)CCCC2 73312555 GQGOKSMGGXSFCV-INIZCTEOSA-N 341.411 3.290 30 40 EGEB C=CCOc1ccc(/C=C/C(=O)Nc2cnn(CC)c2)cc1OC 36395043 PMROBROODAUNRN-VQHVLOKHSA-N 327.384 3.128 30 40 EGEB C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 72499563 IXBWKEBYTBHDMF-ZWNOBZJWSA-N 342.317 3.100 30 40 EGEB COc1cc(/C=N/Nc2ccc3ccccc3n2)cc([N+](=O)[O-])c1O 36265295 NFRABGWXYOSZPT-VCHYOVAHSA-N 338.323 3.303 30 40 EGEB COc1cc2c(cc1OC)/C(=N/Nc1cccc(Cl)c1C)C(=O)N2 43958086 WAHRKUDUSHURBZ-UHFFFAOYSA-N 345.786 3.434 30 40 EGEB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OC(C)=O)c(C#N)c1 225843968 VSZWGTPCGMFPHQ-SFHVURJKSA-N 332.400 3.407 30 40 EGEB O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN1/C=C/C(=O)C(F)(F)F 4175676 UTWCDHZBSFSAKW-YPUOHESYSA-N 346.736 3.388 30 40 EGEB C[C@H]1CCCN(C(=O)CSc2nc3ccccc3n2CCC#N)C1 32957489 LIKZKOSNBMDRMM-AWEZNQCLSA-N 342.468 3.301 30 40 EGEB CCc1ccc(N2CC(=O)C(c3nc4ccc(C)cc4[nH]3)=C2N)cc1 7995048 VBJVBWOTFDDKKF-UHFFFAOYSA-N 332.407 3.150 30 40 EGEB Cc1nc(COC(=O)[C@@H](C)Oc2ccc(C#N)cc2)nc2ccccc12 25259325 YFMHTHOZGKGMDX-CQSZACIVSA-N 347.374 3.321 30 40 EGEB C/C(=N\Nc1ccc(C(=O)O)cc1)c1cccc(N2CCCC2=O)c1 13025905 PKNZBGKYNOIKOL-DEDYPNTBSA-N 337.379 3.348 30 40 EGEB C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2c(F)cccc2OC)CC1 96439932 XBZMBUBNFVFHCT-AWEZNQCLSA-N 349.450 3.235 30 40 EGEB C=C(C)CN1CCC(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 97095534 PIIGDPXXWMGJHP-UHFFFAOYSA-N 337.807 3.019 30 40 EGEB CC(=O)Oc1ccc2c(c1)[C@H]1c3ccccc3[C@H]2[C@@H]2C(=O)C=CC(=O)[C@H]21 230394934 JSOZWJZOWBXDAX-CZYKHXBRSA-N 344.366 3.143 30 40 EGEB CC(C)N(Cc1ccc(C#N)cc1)Cn1nc(C(C)(C)C)ccc1=O 66793275 MHXCAJQWXPOXLG-UHFFFAOYSA-N 338.455 3.281 30 40 EGEB CC(C)c1nc2c(n1C)CCN(Cc1cn3ccccc3c1C#N)C2 69625057 WKSFWXRYZCDMQV-UHFFFAOYSA-N 333.439 3.226 30 40 EGEB CC(=O)/C(=N\Nc1ccccc1Cl)S(=O)(=O)c1ccccc1 16138739 BQSPWEPYIHTKCX-OBGWFSINSA-N 336.800 3.128 30 40 EGEB O=[N+]([O-])c1cccnc1N/N=C/c1ccc(N2CCCCC2)cc1 6392049 VUQFBZURNYALTG-CPNJWEJPSA-N 325.372 3.426 30 40 EGEB COC(=O)c1ccc2c(c1)NC(=C1C(=O)c3ccccc3C1=O)C=C2O 100430257 LZLNXDCVEIOSAM-UHFFFAOYSA-N 347.326 3.131 30 40 EGEB C=CCOc1ccc(CN(C)C(=O)c2ccc(-n3cccn3)nc2)cc1 32906832 CNSAKWQRPWEAHH-UHFFFAOYSA-N 348.406 3.104 30 40 EGEB CCCOc1ccc([C@H]2C3=C(C[C@@H](C)CC3=O)Nc3ncnn32)cc1 10339489 ZIXYNAJDZIKLIF-XIKOKIGWSA-N 338.411 3.335 30 40 EGEB CC/N=C1/S[C@H](C(=O)Nc2cccc(Cl)c2)CC(=O)N1CC 100203564 XGQLTKNFSZOXLH-FUYOWACXSA-N 339.848 3.008 30 40 EGEB Cc1nn(-c2ccccc2)cc1CCCNC(=O)C1(C#N)CCCC1 57014223 NAUWSJZPQWHJTA-UHFFFAOYSA-N 336.439 3.314 30 40 EGEB N#Cc1ccccc1C(=O)c1ccc(I)cc1 2392639 AKTKDGLWZCLYHY-UHFFFAOYSA-N 333.128 3.394 30 40 EGEB C/C(Cn1nc(C)cc1C)=N\OCC(=O)Nc1c(C)cccc1C 63456097 GDMGTZAZXXWDCC-RCCKNPSSSA-N 328.416 3.148 30 40 EGEB N#Cc1cccc(COc2ccc(NC(=O)c3cc[nH]n3)cc2F)c1 69508834 AAHPVGJUKRUNQW-UHFFFAOYSA-N 336.326 3.252 30 40 EGEB C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccc(Cl)c1)CC(=O)N2 4944236 UUXNPLBVTYKDHK-LLVKDONJSA-N 347.827 3.176 30 40 EGEB COc1ccc2c(c1)O/C(=C\c1cc(OC)c(OC)cc1OC)C2=O 5960276 QGKRUAYYNCFEES-LSCVHKIXSA-N 342.347 3.337 30 40 EGEB biogenic N#CCc1ccc(NC(=O)c2nc(C3CC3)n(-c3ccccc3)n2)cc1 71892708 XNZWJGHLEQDWDJ-UHFFFAOYSA-N 343.390 3.463 30 40 EGEB CC(=O)N(CCC(=O)N(CCC#N)CC(C)(C)C)Cc1ccccc1 95351023 VOOUKNLZATXMIY-UHFFFAOYSA-N 343.471 3.214 30 40 EGEB O=C(COCc1ccccc1)NCC#Cc1cccc(C(F)(F)F)c1 73470964 WIGSJYFZYASRRG-UHFFFAOYSA-N 347.336 3.390 30 40 EGEB CC(C)c1nc(CN2CCN(Cc3ccc(C#N)cc3)CC2)cs1 40105802 HPJIPYZVGZJGHV-UHFFFAOYSA-N 340.496 3.456 30 40 EGEB O=S(=O)(/N=C(\O)[C@H]1COc2ccccc21)c1ccc(Cl)s1 73086856 VWYNHWJFJQTSIM-VIFPVBQESA-N 343.813 3.223 30 40 EGEB COc1cccc(NC(=O)[C@@H](C#N)Cc2ccc(OC)c(OC)c2)c1 237189 GBQSKLJRINABSV-CQSZACIVSA-N 340.379 3.033 30 40 EGEB CCOc1cccc2cc(/C(C)=N/Nc3nccc(OC)n3)oc12 46097525 GEQYYVUDYWDPGA-RGVLZGJSSA-N 326.356 3.466 30 40 EGEB C=CCc1c(C)nc2c(-c3ccc(OC)c(OC)c3)c(C)nn2c1O 101328592 VNVRVWAEPHXXHA-UHFFFAOYSA-N 339.395 3.464 30 40 EGEB CCOC(=O)C[C@]1(C#N)c2ccccc2C=CN1C(=O)c1ccccc1 386965 XCJUFEURDNOFPM-NRFANRHFSA-N 346.386 3.485 30 40 EGEB O=C(Cc1ccccc1)NC/C=N/OC(=O)Nc1ccc(Cl)cc1 6864117 JXPRIOUWAWCRFX-RGVLZGJSSA-N 345.786 3.233 30 40 EGEB CCc1nnc([C@H]2C(=N)S/C(=C\c3cccc(O)c3)C2=O)s1 107775353 HRXPNAAWMXNQCZ-RKMYABCYSA-N 331.422 3.224 30 40 EGEB CN(C[C@@H]1CCCN(c2ccc(C#N)cn2)C1)C(=O)OC(C)(C)C 58356593 DJCZZBBKJRJHHY-HNNXBMFYSA-N 330.432 3.037 30 40 EGEB O=C1CSC(=S)N1/N=C\c1ccc(OCc2ccccc2)cc1 5080385 JZKSQTXJCLRGPV-ZDLGFXPLSA-N 342.445 3.460 30 40 EGEB Cc1ccc(C(=O)Nc2ccccc2SC[C@H](C)C#N)c(=O)[nH]1 65453530 PHPXAEFWJWJZPD-LLVKDONJSA-N 327.409 3.187 30 40 EGEB CSc1nc2n(n1)[C@H](c1ccccc1C)C1=C(CCCC1=O)N2 4436107 HZHLDOLHJZZZKH-OAHLLOKOSA-N 326.425 3.330 30 40 EGEB Cc1ccc(NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)cc1Cl 6551331 BECQDOZDBQSMNK-UHFFFAOYSA-N 343.814 3.397 30 40 EGEB C=CCOc1ccccc1/C=C/C(=O)c1ccc2c(c1)NC(=O)CO2 7333699 XTQPHMGTPPAOAM-VQHVLOKHSA-N 335.359 3.478 30 40 EGEB COc1cc(Br)c(/C=C/C(=O)c2cccnc2)cc1O 7739581 RQFXJNIJOJUATA-SNAWJCMRSA-N 334.169 3.454 30 40 EGEB C[C@H](NC(=O)OC(C)(C)C)C1CCN(C[C@H](C#N)CCC#N)CC1 71902818 VXUSVNXKBDXBEP-GJZGRUSLSA-N 334.464 3.055 30 40 EGEB C[C@@H](SC[C@@H](O)c1ccccc1)C(=O)NC1(C#N)CCCCC1 83966407 LBRZQGSKIHFCNA-GDBMZVCRSA-N 332.469 3.184 30 40 EGEB C=CCOc1cccc(NC(=O)N2CC[C@H](CN(C)CCC)C2)c1 72309878 KXEKXQQXBVVUQX-MRXNPFEDSA-N 331.460 3.447 30 40 EGEB CN(Cc1cc(C#N)ccc1F)C(=O)CNc1ccc(F)c(F)c1 95412853 BOGNIBFVBQWYTN-UHFFFAOYSA-N 333.313 3.046 30 40 EGEB CC(C)[C@@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1nnc2ccccn12 95415034 IBGNLRNLOXSHIY-MRXNPFEDSA-N 336.355 3.318 30 40 EGEB CC(C)n1cc(Br)cc1C(=O)N[C@H](C#N)C(C)(C)C 85431138 FPOVTPSDFFEGKA-GFCCVEGCSA-N 326.238 3.500 30 40 EGEB N#Cc1ccccc1NC(=O)c1cnc(O[C@@H]2CCOC2)c(Cl)c1 245053569 PAJKBXMKJPWKNG-CYBMUJFWSA-N 343.770 3.027 30 40 EGEB COc1cccc(C(=O)N[C@H](C#N)c2cccc(Cl)c2)c1OC 79352362 LZXUPFXYBWDDEH-CQSZACIVSA-N 330.771 3.352 30 40 EGEB C=CCOc1cccc(/C=C2\N=C(c3ccc4c(c3)OCO4)OC2=O)c1 8179870 BOYPIEAYUYHNBF-YBEGLDIGSA-N 349.342 3.325 30 40 EGEB C=CCn1c(S[C@H](C)C(C)=O)nnc1-c1ccc([N+](=O)[O-])cc1 32945156 LZEVQBOJCPUZMD-LLVKDONJSA-N 332.385 3.109 30 40 EGEB Cc1nn(CCC#N)c(C)c1CCC(=O)NCCC1=CCCCC1 24049543 QBEUKWBQEHUIEG-UHFFFAOYSA-N 328.460 3.353 30 40 EGEB CCOc1c(Cl)cc(CNC(=O)C2(C#N)CCCC2)cc1OC 55715557 LXEQTTNKQFYHKE-UHFFFAOYSA-N 336.819 3.447 30 40 EGEB CCC(CC)/C(O)=N/S(=O)(=O)c1c(Cl)nc2ccccn12 58104990 PVFMCOOAZWYWFH-UHFFFAOYSA-N 329.809 3.069 30 40 EGEB C=CCn1c(C)nnc1SCc1cc(=O)oc2c(C)c(O)ccc12 6908856 XCMOPQUMGJYLLN-UHFFFAOYSA-N 343.408 3.185 30 40 EGEB COc1ccccc1[C@H](C#N)NC(=O)Cc1ccccc1OC(F)F 96411228 LAKLWLMSNDTVQU-AWEZNQCLSA-N 346.333 3.220 30 40 EGEB O=C1/C(=N\Nc2ccccc2)c2ccccc2N1CN1CCCCC1 96585598 NAWDUYWOQYMWGL-QOCHGBHMSA-N 334.423 3.293 30 40 EGEB C/N=C1\S/C(=C\c2cc(C)n(-c3ccccn3)c2C)C(=O)N1C 73141287 MQUPOPLSHSCSGG-GVXDGLBUSA-N 326.425 3.021 30 40 EGEB CCCOc1ccc(NC(=O)C(C)(C)Br)cc1C#N 225786661 YXSLSZDFJUYIQK-UHFFFAOYSA-N 325.206 3.459 30 40 EGEB N#CCC(=O)N[C@H](Cc1ccccn1)c1ccc(Br)cc1 225612011 NOTLTIDUHRPNCD-OAHLLOKOSA-N 344.212 3.158 30 40 EGEB Cc1cccc(C)c1N(C[C@H](C)N(C)C)C(=O)c1ccc(C#N)cn1 585125302 MWUZTSYJUJKRKM-INIZCTEOSA-N 336.439 3.167 30 40 EGEB O=C1CCCC2=C1[C@H](c1ccnc3ccccc13)Nc1nonc1N2 12322933 CBQFAUYLBCJWQB-INIZCTEOSA-N 333.351 3.204 30 40 EGEB NC(=O)c1cccc(N/C=C/C(=O)c2ccc(Br)cc2)c1 51318593 ISVPFBJFKIBOBN-CMDGGOBGSA-N 345.196 3.357 30 40 EGEB C=CCOC(=O)C1CCN(c2ncnc3sc(C)c(C)c23)CC1 8184203 RWMREIJWSZTBIL-UHFFFAOYSA-N 331.441 3.254 30 40 EGEB CCOc1cc(-c2c(C#N)c(N)nc3c2CCCC3)ccc1OCC#N 53278204 JQDMFVGXCDJIPZ-UHFFFAOYSA-N 348.406 3.382 30 40 EGEB Cc1c(C(=O)O)oc2c1C(=O)/C(=C\c1ccc3c(c1)OCCO3)CC2 75443341 NYVGGGNGHBIJNT-WQLSENKSSA-N 340.331 3.270 30 40 EGEB N#Cc1ccc(F)c(CN2CCCN(C(=O)c3ccsc3)CC2)c1 54363326 BDIDBXCHMSFKDK-UHFFFAOYSA-N 343.427 3.107 30 40 EGEB C=CCNc1sc(C(=O)c2ccc(OC)c(OC)c2)c(N)c1C#N 59606789 MJOOIWGUUHOPQH-UHFFFAOYSA-N 343.408 3.048 30 40 EGEB COC(=O)c1cccc(/N=C\c2ccc(N3CCOCC3)cc2C)c1 409100311 VBQHFWRYXYDTHK-STZFKDTASA-N 338.407 3.369 30 40 EGEB CC(C)C[C@@H](NC(=O)C(=O)Nc1cccc(C#N)c1)c1ccccc1 48976050 GWQPJFWWRWMPMA-GOSISDBHSA-N 335.407 3.400 30 40 EGEB C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C[C@@H](C#N)CCC#N)CC1 71902821 VXUSVNXKBDXBEP-HUUCEWRRSA-N 334.464 3.055 30 40 EGEB CC[C@H](NS(=O)(=O)c1cc(Cl)ccc1C#N)c1nccs1 95432854 VBEWLTIHBJPCHM-NSHDSACASA-N 341.845 3.098 30 40 EGEB COc1ccc2c(c1)OC[C@H](C(=O)[C@@H](C#N)c1nc3ccccc3o1)C2 50206472 NCOVBCUKAOHIPU-UKRRQHHQSA-N 348.358 3.264 30 40 EGEB O=C1CS/C(=N/N=C/c2ccccc2)N1Cc1ccc(F)cc1 2360045 YWQJIXHGWKYBAB-HPCQOMFASA-N 327.384 3.291 30 40 EGEB C[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H](C(F)(F)F)C1 29784971 PZGXMAQPUILAKC-AAEUAGOBSA-N 326.318 3.126 30 40 EGEB C=CCOc1ccc(CNCCNc2ccc([N+](=O)[O-])cc2)cc1 6856066 QEAQKDNGPYHKFT-UHFFFAOYSA-N 327.384 3.361 30 40 EGEB Sc1nncn1/N=C/c1ccc(COc2ccc(Cl)cc2)o1 2789918 SORXYWHMVJFAGE-REZTVBANSA-N 334.788 3.274 30 40 EGEB COC(=O)C1=C(C)N/C(=C\c2cc(C)n(-c3ccccc3)c2C)C1=O 22241648 FJGBWBDWWUKCKR-BOPFTXTBSA-N 336.391 3.054 30 40 EGEB COc1cc([N+](=O)[O-])cc(/C=N/Nc2nc3ccccc3s2)c1O 59514228 YUAZYAVPHIKZRL-LZYBPNLTSA-N 344.352 3.365 30 40 EGEB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc(C#N)cc1 10045348 QYMDIFHQTYTRQT-ICSRJNTNSA-N 331.419 3.315 30 40 EGEB CCCSc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)OC2 13739225 SCKOWDRIXYLESA-UHFFFAOYSA-N 347.484 3.143 30 40 EGEB NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN1C1CC1 13730092 XNTMCYUSFIDUDT-UHFFFAOYSA-N 331.828 3.138 30 40 EGEB COCCOC[C@H]1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C1 78521066 LDVCSLDSLPSRDD-LBPRGKRZSA-N 328.334 3.066 30 40 EGEB C[C@@H]1CCc2c(C(=O)N=c3[nH][nH]c(C4CC4)c3C#N)csc2C1 516504507 CYSYFKCQBZYIRQ-SECBINFHSA-N 326.425 3.019 30 40 EGEB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(F)c3)C2(C#N)C#N)cc1 218370784 QXDFQTHLGIDIAJ-DLBZAZTESA-N 340.379 3.107 30 40 EGEB CSc1nc(C)c(CCC(=O)[C@@H](C#N)c2ccccn2)c(C)n1 41493118 RUEIUPJZSAEFGH-AWEZNQCLSA-N 326.425 3.019 30 40 EGEB C=CCn1c(C)nn(CN2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c1=S 24654926 ULUMELITALFRRE-NSHDSACASA-N 345.428 3.225 30 40 EGEB CC(C)c1noc([C@@H](C)N2CCN(c3ccc(C#N)cc3F)CC2)n1 58328401 ICTSCUQKNXMZIS-CYBMUJFWSA-N 343.406 3.087 30 40 EGEB Cn1c(N/N=C/c2ccccc2)nc2sc3c(c2c1=O)CCCC3 4676667 PQAJJFVWBXHBBF-YBFXNURJSA-N 338.436 3.320 30 40 EGEB COc1ccc(C(=O)/C=C/c2cc(OC)c3c(c2OC)OCO3)cc1 15106075 BQLZVALKXAHNLJ-RMKNXTFCSA-N 342.347 3.337 30 40 EGEB CN([C@H]1CCCc2ccccc21)S(=O)(=O)Cc1ccc(C#N)cc1 9721870 MTOWFYNIXCNDJR-IBGZPJMESA-N 340.448 3.397 30 40 EGEB C#CCN1CCC(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)CC1 71886717 UTDVDHAGQZCBJV-UHFFFAOYSA-N 345.874 3.224 30 40 EGEB O=C1/C(=C\c2csnn2)[C@@H](C2CC2)CC/C1=C\c1csnn1 71916327 PTILNFQVPMWNJJ-HUWGJCHPSA-N 330.438 3.246 30 40 EGEB N#Cc1ccc(CS(=O)(=O)c2cccc(Br)c2)cc1 76585474 CNWKGJKCQFCQEP-UHFFFAOYSA-N 336.210 3.295 30 40 EGEB C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCOC(C)(C)C1 95953650 DJCFIOGDKDTFMN-CQSZACIVSA-N 347.484 3.130 30 40 EGEB N#C[C@@H]1CCCC[C@@H]1OC(=O)CCC(=O)c1ccc2c(c1)OCCO2 78612135 KLZPWYKFUJOOPO-HOCLYGCPSA-N 343.379 3.046 30 40 EGEB CC(C)(C)OC(=O)N1CCC(Nc2cc(C#N)ccc2[N+](=O)[O-])CC1 228963561 NDVQIZSMYZMWES-UHFFFAOYSA-N 346.387 3.278 30 40 EGEB COC(=O)c1ccc(CSc2nc(N)c(C#N)c(C(C)C)n2)cc1 225892552 OESJQLLMKVVGQS-UHFFFAOYSA-N 342.424 3.133 30 40 EGEB C[C@H]1C[C@H](c2ccsc2)CN1S(=O)(=O)Cc1cccc(C#N)c1 96421282 LQILCPPQPNVGNK-GUYCJALGSA-N 346.477 3.328 30 40 EGEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@H]4CCC[C@@]4(C)CC[C@H]32)[C@@H]1O 253618224 LGMXWRFZIGLDKL-NLWZXOEOSA-N 346.467 3.421 30 40 EGEB O=[N+]([O-])c1ccc(N/N=C\c2sccc2Br)nc1 5740871 ONCFIJCZGDSXTI-MLPAPPSSSA-N 327.163 3.260 30 40 EGEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCC[C@H]4COC)[C@H]3C[C@H]12 12886232 LYZJRMREVMQKQK-YKFXCJJJSA-N 347.499 3.411 30 40 EGEB biogenic N#Cc1ccc(N2C[C@H]3CCN(Cc4ccc5[nH]ccc5c4)[C@H]3C2)nc1 1889205952 GJWWGSOFDHZUBA-QUCCMNQESA-N 343.434 3.145 30 40 EGEB N#CC1(C(=O)N2CCn3c(-c4cccs4)cnc3C2)CCCC1 1565556560 NPDJAEPZAJGCMS-UHFFFAOYSA-N 326.425 3.038 30 40 EGEB CCOC(=O)c1ccc(COC(=O)c2ccc(C#N)cc2F)cc1 6956272 CCQRYJZLVRVIIP-UHFFFAOYSA-N 327.311 3.231 30 40 EGEB COc1cc(/C=N/N=C(\N)S)ccc1OCc1ccc(C)cc1 8830406 XYKOWDNGXCUZBU-VXLYETTFSA-N 329.425 3.161 30 40 EGEB aggregator C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@H]1C/C=C1/C=COC1=O 55161798 YIIRVUDGRKEWBV-AUTUICGMSA-N 332.440 3.115 30 40 EGEB CCCc1nc(C(=O)[C@H](C#N)c2ccccn2)nn1-c1ccccc1F 76089810 BXUCOINNJCYVHA-CYBMUJFWSA-N 349.369 3.244 30 40 EGEB C=CCOc1ccc(C2N3CC4(CC)CN2CC(CC)(C3)C4O)cc1 19320144 IVCWWNCTSGKIFV-UHFFFAOYSA-N 342.483 3.049 30 40 EGEB biogenic COC(=O)[C@@H](NCc1cc(Cl)ccc1OC)c1cccc(C#N)c1 83030325 FUSLRQDRYQZGJZ-KRWDZBQOSA-N 344.798 3.224 30 40 EGEB COc1cc(C#N)ccc1OCC(=O)N(C1=CCCCC1)C1CC1 7470632 PVEZJRYXHCVDGT-UHFFFAOYSA-N 326.396 3.395 30 40 EGEB CC(=O)c1ccccc1NC(=O)COc1ccc(C#N)cc1Cl 7856552 PAUHXSZLCMZJGN-UHFFFAOYSA-N 328.755 3.432 30 40 EGEB CC(C)CN1C(=O)/C(=N\Nc2ccc(C(=O)O)cc2)c2ccccc21 7890738 CSQMQEWKCLVAGI-FXBPSFAMSA-N 337.379 3.204 30 40 EGEB CCCO[C@](C)(C(=O)Nc1ccc(OC(C)=O)c(C#N)c1)C1CC1 225858835 RVCZRWPUOKJVQI-SFHVURJKSA-N 330.384 3.017 30 40 EGEB CCOC(=O)/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(C)=O 5247262 GHRJGSOEZDGWOV-GDNBJRDFSA-N 329.308 3.390 30 40 EGEB N#Cc1cccnc1N1C[C@@H]2CN(c3ccnc4ccccc34)C[C@H]2C1 2086868885 VJFZNUGDNOTAQS-IRXDYDNUSA-N 341.418 3.074 30 40 EGEB COc1ccc(N2C(=O)C=C(c3ccc(F)cc3)[C@H]2/C=N/O)cc1 100918679 VTMLBBUGMXWNSA-MLHZQLSASA-N 326.327 3.093 30 40 EGEB COc1ccc(/C(O)=N/S(=O)(=O)/C=C/c2ccccc2)c(OC)c1 48529440 DUZOYSGSFIELHW-ZHACJKMWSA-N 347.392 3.009 30 40 EGEB COc1cccc(-n2cccc2)c1CNC(=O)c1ccc(C#N)cc1 4054850 QLUYDUJFARKFKC-UHFFFAOYSA-N 331.375 3.288 30 40 EGEB N#Cc1cccc(CS(=O)(=O)Nc2ccc(OC(F)F)cc2)c1 69845271 STNDVIXKUNLCEO-UHFFFAOYSA-N 338.335 3.102 30 40 EGEB N#Cc1ccc(NC(=O)COC(=O)CCc2ccccc2)cc1Cl 6375211 OURZITMOLBKSKJ-UHFFFAOYSA-N 342.782 3.326 30 40 EGEB N#Cc1cccc(CN2C(=O)C(=O)c3cccc(Br)c32)c1 14134811 PGAYPKUTCIQWJU-UHFFFAOYSA-N 341.164 3.050 30 40 EGEB COc1ccc(C)cc1[C@H](C)Nc1ncnc2c1cnn2CCC#N 97199725 IUEYSXIHMFHWRD-ZDUSSCGKSA-N 336.399 3.230 30 40 EGEB CC(C)[C@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1nnc2ccccn12 95415033 IBGNLRNLOXSHIY-INIZCTEOSA-N 336.355 3.318 30 40 EGEB C[C@@H](NC(=O)C1(C#N)CCOCC1)c1cc(Cl)ccc1Cl 187170442 INJWWXQRGLTPTD-SNVBAGLBSA-N 327.211 3.491 30 40 EGEB CCOC(CNc1oc(-c2ccccc2OC)nc1C#N)OCC 585152223 BUSUPGNCQQPUOU-UHFFFAOYSA-N 331.372 3.033 30 40 EGEB O=C(C[C@@H]1S/C(=N/c2ccccc2)NC1=O)Nc1ccc(F)cc1 3627822 HSLARZPBQUOKTO-AWEZNQCLSA-N 343.383 3.074 30 40 EGEB CC(C)Oc1ccc(/C=N/CC[C@@]2(O)C[C@H](C)N(C)C[C@H]2C)cc1 4815138 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EGEB COc1ccc(C(=O)O/N=C2/C=C(C(C)C)C(=O)C=C2C)cc1OC 33345517 HEKONKZCVCLEDL-HKWRFOASSA-N 343.379 3.328 30 40 EGEB CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(F)c(F)c1 47011046 DYTRTLZLHMUEFN-UHFFFAOYSA-N 343.377 3.040 30 40 EGEB Cn1c(C#N)ccc1C(=O)NC12CCC(C(F)(F)F)(CC1)CC2 519686368 PEMHBANHRBAUTP-UHFFFAOYSA-N 325.334 3.282 30 40 EGEB N#Cc1cccc(C(=O)N2CC(Oc3nc4ccccc4s3)C2)c1 85471133 HGCAFRHVZGIIBT-UHFFFAOYSA-N 335.388 3.071 30 40 EGEB COc1ccc(C/N=C/c2cc3cccc(C)c3n3nnnc23)cc1 13534813 KHWVQCVOKKPZJH-UDWIEESQSA-N 331.379 3.214 30 40 EGEB COc1ccc(/C=N\c2ccc(N3CCOCC3)cc2)cc1[N+](=O)[O-] 100249064 HSOQUALOQPXBDW-UYRXBGFRSA-N 341.367 3.191 30 40 EGEB CSc1ncc(Cl)c(C(=O)OCc2ccc(C#N)cc2F)n1 11576066 ZNYGKDAOTWQHRZ-UHFFFAOYSA-N 337.763 3.220 30 40 EGEB CN(Cc1ccccc1F)C(=O)COc1ccc(C#N)cc1Cl 7857534 LZCYDKYEGAQIMJ-UHFFFAOYSA-N 332.762 3.388 30 40 EGEB N#Cc1cccc(S(=O)(=O)Nc2ccccc2OC(F)(F)F)c1 12535934 ISQAIZYIPFBZOC-UHFFFAOYSA-N 342.298 3.258 30 40 EGEB COc1ccc(N2CCN(c3oc(C(C)C)nc3C#N)CC2)cc1 26458817 YQOUNBWZMRYHEG-UHFFFAOYSA-N 326.400 3.005 30 40 EGEB N#Cc1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2Cl)c1 3394854 RIMCZSSYGFMJQL-UHFFFAOYSA-N 331.715 3.137 30 40 EGEB CSc1nc2n(n1)[C@H](c1cccc(C)c1)C1=C(CCCC1=O)N2 4436081 AFMQMRCPSXSRKR-OAHLLOKOSA-N 326.425 3.330 30 40 EGEB C[C@@H](Sc1nc2ccccc2n1CCC#N)C(=O)N1CCCC1 15981199 XFMJBPFJEMCFCG-CYBMUJFWSA-N 328.441 3.053 30 40 EGEB O=C(COc1ccc(C(=O)/C=C/c2ncc[nH]2)cc1)Nc1ccccc1 71888699 VBWQEEMMUKCDHC-ZHACJKMWSA-N 347.374 3.323 30 40 EGEB COc1ccc(CN2CC[C@H](c3nc4ccc(C#N)cc4[nH]3)C2)cc1 35446825 XSOHRMCNVGAZCP-INIZCTEOSA-N 332.407 3.433 30 40 EGEB biogenic,in-vitro N#Cc1ccccc1OCC(=O)NCc1ccc(-c2cccnc2)cc1 96433323 IOJIZENBBIVDRN-UHFFFAOYSA-N 343.386 3.315 30 40 EGEB COc1ccccc1N1CCN(Cc2cc(C#N)ccc2F)CC1 53943996 MDZNRRWIKLZOHD-UHFFFAOYSA-N 325.387 3.028 30 40 EGEB O=C1CCCC2=C1[C@@H](c1ccnc3ccccc13)Nc1nonc1N2 12322932 CBQFAUYLBCJWQB-MRXNPFEDSA-N 333.351 3.204 30 40 EGEB N/C(=N\OCC(=O)Nc1ccc2ccccc2c1)c1cccs1 50512579 WNAIIGUEGMQFCB-UHFFFAOYSA-N 325.393 3.177 30 40 EGEB N#Cc1cccc([C@@H]2[C@@H](C(=O)O)CCC(=O)N2CCc2ccccc2)c1 69370722 QVLPFSBTEZUXGZ-AZUAARDMSA-N 348.402 3.165 30 40 EGEB Cc1c(N/N=C2/C=Nc3ccccc32)c(=O)n(-c2ccccc2)n1C 109973972 DMQPROQCXPCPSL-FXBPSFAMSA-N 331.379 3.017 30 40 EGEB O=C(CO/N=C/c1cccs1)Nc1ccc(Cl)c([N+](=O)[O-])c1 3285097 PWLNQMZAPCVCEL-VIZOYTHASA-N 339.760 3.299 30 40 EGEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCc4cccnc4)[C@H]3C[C@H]12 12660197 POMCUIZHMHCWOJ-TWHPPBISSA-N 340.467 3.485 30 40 EGEB biogenic O=C1CSC(=S)N1/N=C/c1ccc(-c2ccc(F)cc2F)o1 408600449 YQWFAFBNDBUWST-UBKPWBPPSA-N 338.360 3.419 30 40 EGEB COc1cc2c(cc1OC)CN(c1ccc([N+](=O)[O-])cc1C#N)CC2 6320056 YQCMOFIKZXWLAA-UHFFFAOYSA-N 339.351 3.046 30 40 EGEB C[S@](=O)Cc1cc(NC(=O)C#Cc2ccccc2)ccc1Cl 81753461 XVGCAMLJHVEINK-JOCHJYFZSA-N 331.824 3.209 30 40 EGEB CC(C)(C)c1ccc2c(c1)CN(S(=O)(=O)CCCCC#N)CC2 96004712 FNSBLXQHTOCQKU-UHFFFAOYSA-N 334.485 3.366 30 40 EGEB CN(C)C1CCN(C(=O)c2ccccc2-c2ccccc2C#N)CC1 72027709 BJDJHRQQSJJWMC-UHFFFAOYSA-N 333.435 3.391 30 40 EGEB CCN(CC)C(=O)CCC1CCN(c2nc(C)ccc2C#N)CC1 97082696 QBQTUXWEOQQXIQ-UHFFFAOYSA-N 328.460 3.127 30 40 EGEB C=CCOc1ccccc1/C=N/NCc1ccc(OC)c(OC)c1 20196288 HZMNNVJJSUWJGX-KGENOOAVSA-N 326.396 3.392 30 40 EGEB N#C[C@H](NC(=O)CCC(=O)c1ccc(F)cc1F)c1ccccc1F 75134541 NZGHBRFOPKINCL-INIZCTEOSA-N 346.308 3.448 30 40 EGEB COCc1cc(C)nc(Sc2ccc(C=O)cc2[N+](=O)[O-])c1C#N 408605080 KOCVYWCYKBQQFY-UHFFFAOYSA-N 343.364 3.280 30 40 EGEB C=CCN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 224684440 GKTLNIZOZXYTCX-UHFFFAOYSA-N 347.436 3.394 30 40 EGEB Cc1csc(C(=O)N(C)[C@@H](C)CC#N)c1I 191075301 WKYSFQYHTPLISO-QMMMGPOBSA-N 348.209 3.035 30 40 EGEB Cc1cc(/C(O)=N/S(=O)(=O)c2c(C)noc2C)c(Cl)cc1F 96470486 BHYZJAKMWVRTLS-UHFFFAOYSA-N 346.767 3.086 30 40 EGEB CCn1c(O)nc2cc(C(=O)N[C@H]3CCc4cc(C#N)ccc43)ccc21 597586178 YLBNJJSKCBOAES-INIZCTEOSA-N 346.390 3.051 30 40 EGEB Cc1sc2ncnc(N3CCc4c(sc(N)c4C#N)C3)c2c1C 18175311 DCKQGXBKASNKKF-UHFFFAOYSA-N 341.465 3.386 30 40 EGEB N#Cc1ccc(OCC(=O)N[C@H]2CCCC[C@H]2C(F)(F)F)cc1 22498493 NYXBDALPFOZKLO-KGLIPLIRSA-N 326.318 3.174 30 40 EGEB Cc1cnc(OC[C@@H]2CCCN(c3ncc(C#N)cc3Cl)C2)nc1 1776001081 YIPSLFYBBYBLOT-CYBMUJFWSA-N 343.818 3.001 30 40 EGEB CN1C(=O)N[C@@H](c2cccc(Br)c2)C2=C1CCCC2=O 67226 AQYKSGSBEYJGCV-AWEZNQCLSA-N 335.201 3.152 30 40 EGEB Cc1ccc([C@@H]2C(C(N)=S)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 100684229 CJKSMIXGEGEQGJ-AWEZNQCLSA-N 342.464 3.208 30 40 EGEB Cc1occc1C(=O)[C@@H](C#N)C(=O)[C@H](C)Oc1ccc(F)c(F)c1 103696774 PMOIMSMFUCVTBZ-GWCFXTLKSA-N 333.290 3.225 30 40 EGEB CCn1cc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3CC2)c2ccccc21 112264860 PKUUGGVDVJWHNX-ASSVNYGOSA-N 347.418 3.192 30 40 EGEB Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](C)c1cccs1 24049419 SBOBGQRFKNRJRT-CYBMUJFWSA-N 330.457 3.285 30 40 EGEB Cc1nc(NC(=O)c2cc(C(C)(C)C)n[nH]2)sc1SCC#N 78393883 KVEOAHKFEJNRPL-UHFFFAOYSA-N 335.458 3.340 30 40 EGEB O=C(CNc1cccc(C#Cc2cccs2)c1)NCc1ccco1 29934234 VWMTXYXWAIGVSW-UHFFFAOYSA-N 336.416 3.469 30 40 EGEB Cc1cccc(NC(=O)C2CCN(c3ccc(C#N)cn3)CC2)c1C 14139097 CKUHXEVZDKFAMP-UHFFFAOYSA-N 334.423 3.425 30 40 EGEB N#Cc1ccc(N2CCO[C@@H](c3cccc(F)c3)C2)c([N+](=O)[O-])c1 66815017 FCWQKBMFRYHBQA-QGZVFWFLSA-N 327.315 3.183 30 40 EGEB N#Cc1nc(-c2ccc(Cl)cc2)oc1NCCCN1CCOCC1 19862943 KLIKBWIWGMCSBL-UHFFFAOYSA-N 346.818 3.001 30 40 EGEB C=CCOc1ccccc1CNC(=O)c1ccc(F)c(NC(C)=O)c1 71894320 PYKQQBPYJPXRNV-UHFFFAOYSA-N 342.370 3.279 30 40 EGEB N#CCCN(CC1CC1)S(=O)(=O)Cc1ccc(Cl)cc1Cl 95454503 PBMCLFCSVKAKKD-UHFFFAOYSA-N 347.267 3.449 30 40 EGEB O=S(=O)(CCCF)/N=C(\O)CCn1ccc2cc(Cl)ccc21 95443337 VXWDYLSRZGXXKX-UHFFFAOYSA-N 346.811 3.331 30 40 EGEB N#Cc1ccc(O[C@@H]2CCN(c3nc(C4CCCC4)ns3)C2)nc1 518954684 TZNYOVJCMMOTGS-CQSZACIVSA-N 341.440 3.120 30 40 EGEB Cc1cc(NC[C@H](C2CC2)N(C)C)n2c(nc3ccccc32)c1C#N 78542609 OZBLQXMZGRLRSM-GOSISDBHSA-N 333.439 3.420 30 40 EGEB C=CCNC(=O)c1ccccc1NC(=O)Cc1ccc(OC)c(C)c1 225821150 KXKIJZUSPGJRLL-UHFFFAOYSA-N 338.407 3.101 30 40 EGEB N#Cc1ccc(OC[C@H](O)CN2CCC[C@H]2c2ccc(F)cc2)cc1 245237502 LEYNECFAONOHFO-QUCCMNQESA-N 340.398 3.274 30 40 EGEB CC1(C)CC(=O)C(=Cc2coc3ccc([N+](=O)[O-])cc3c2=O)C(=O)C1 5414960 RKROJJUVTUYHBY-UHFFFAOYSA-N 341.319 3.043 30 40 EGEB NC(=S)N/N=C(/c1cc(Cl)ccc1N)c1ccccc1Cl 5897663 CSYBSUYBWDEQHL-CPNJWEJPSA-N 339.251 3.161 30 40 EGEB CC(=O)Nc1ccc2nc(NC(=O)c3ccc(C#N)cc3)sc2c1 191251 HALFQVJCWAMYFS-UHFFFAOYSA-N 336.376 3.379 30 40 EGEB C(=N/Nc1ncnc2c1ncn2Cc1ccccc1)\c1cccs1 5389963 FCRNKLXFWBBSDW-ZVBGSRNCSA-N 334.408 3.382 30 40 EGEB Cc1ccc(Cn2ccs/c2=N\C(=O)C2(C#N)CCCC2)cc1 6879577 WHDPYNJIFUPCNP-JZJYNLBNSA-N 325.437 3.418 30 40 EGEB NS(=O)(=O)c1ccc(NN=C2c3ccccc3-c3ccccc32)cc1 15353701 RHHLIXCNCMWVTD-UHFFFAOYSA-N 349.415 3.179 30 40 EGEB C=CCOc1ccc(CNC2CCC(C(=O)NC)CC2)cc1Cl 66990528 YHQJTFGFHBHDEZ-UHFFFAOYSA-N 336.863 3.299 30 40 EGEB Cc1cccc2cc(C#N)c(NCCNC(=O)c3ccccc3)nc12 35289180 MZLOBUDKTQQQKI-UHFFFAOYSA-N 330.391 3.257 30 40 EGEB CCOC(=O)C1=C[C@@H](C2CC2)c2c(cc([N+](=O)[O-])c(F)c2C)C1=O 255187929 HRMKOEUPFUZCMD-JTQLQIEISA-N 333.315 3.222 30 40 EGEB Cc1c(O)ccc2c(CN(CCC#N)[C@H](C)C3CC3)cc(=O)oc12 69809420 SFYBNDISYZJCEC-CYBMUJFWSA-N 326.396 3.321 30 40 EGEB CON=C1C[C](CO)N(C(=O)c2ccc(-c3ccccc3C)cc2)C1 1560403817 KDLONTIVDKMICF-UHFFFAOYSA-N 337.399 3.035 30 40 EGEB COc1cc(/C=C2/S/C(=N/c3ccccc3)NC2=O)ccc1O 18128142 JOIUJUJSHIHBDT-XNTDXEJSSA-N 326.377 3.292 30 40 EGEB N=C(N/N=C/c1ccccc1Cl)N/N=C/c1ccccc1Cl 1695657 BFWGTYQTOSUAMS-LQGKIZFRSA-N 334.210 3.475 30 40 EGEB O=C(O)c1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1 118919 NSYKJANZYWVKGS-UHFFFAOYSA-N 327.723 3.326 30 40 EGEB CC1=CC(=C2C(=O)c3ccccc3C2=O)C=C(C)N1CCCN(C)C 567641 VUQVSSYGIISOAR-UHFFFAOYSA-N 336.435 3.437 30 40 EGEB CN(C)c1ccc(-n2c(N)c(C#N)c3nc4ccccc4nc32)cc1 499591 KGQPEWSCDUYKDZ-UHFFFAOYSA-N 328.379 3.094 30 40 EGEB CSc1nc(N=[N+]=[N-])cc(N2CCN(c3ccccc3)CC2)n1 13398637 LRGLUBFGRVGIPL-UHFFFAOYSA-N 327.417 3.467 30 40 EGEB Cc1ccc(S(=O)(=O)OCC[n+]2c(C)ccc3ccccc32)cc1 27987909 JDWHKKMNRBPEGB-UHFFFAOYSA-N 342.440 3.150 30 40 EGEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@H]2c1ccc(F)cc1 18195581 HRJXVTDCLINUDZ-ZDUSSCGKSA-N 327.359 3.455 30 40 EGEB CN(C)/N=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1 4545744 WUQRXBJRJIGRCV-GZTJUZNOSA-N 338.816 3.003 30 40 EGEB COc1ccccc1OCCC(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 6650441 DQGSXTYJHIGCGS-CYBMUJFWSA-N 335.363 3.217 30 40 EGEB N#Cc1cccc(CNC(=O)N(C[C@@H]2CCCO2)C2CCCC2)c1 84363833 VNAXUZKBBAMYHS-SFHVURJKSA-N 327.428 3.191 30 40 EGEB CN(C)c1ccc([N+](=O)[O-])cc1/C=N/Nc1ccc([N+](=O)[O-])cc1 408995224 AZDJAYATPJYUPE-MHWRWJLKSA-N 329.316 3.015 30 40 EGEB C[C@H](NC[C@H](O)c1ccc(C#N)cc1)c1cccc(N2CCCC2=O)c1 95984701 YLWMDMVMKIGERO-YWZLYKJASA-N 349.434 3.069 30 40 EGEB CC(C)(C)CN(CC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(F)cc1 89643022 WXVGIMRYQCQODE-IBGZPJMESA-N 331.435 3.487 30 40 EGEB C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H](C(F)(F)F)C1 29784970 PZGXMAQPUILAKC-YPMHNXCESA-N 326.318 3.126 30 40 EGEB CCCc1ccc(Cl)c(S(=O)(=O)N[C@H]2CCC[C@H]2C#N)c1 585737370 RYNCGFBRBKDFIG-JSGCOSHPSA-N 326.849 3.263 30 40 EGEB O=C1Cc2cc(C(=O)/C=C/c3cccc4c3OCCCO4)ccc2N1 58282983 CCNMMUJCMAVZAA-SOFGYWHQSA-N 335.359 3.239 30 40 EGEB CCCCCCC[C@H](O)/C=C\[C@@H](O)CC[C@H](O)CCCC(=O)O 38139747 FITAKYVPWCVTII-VLNXTNLNSA-N 330.465 3.021 30 40 EGEB biogenic,in-vitro C#CCn1c([C@H]2CC(=O)N(c3ccc(OC)cc3)C2)nc2ccccc21 8606656 NLZZCZMKRRPFRZ-HNNXBMFYSA-N 345.402 3.199 30 40 EGEB Cc1cc(N2CCCC2)ccc1NC(=O)COc1cccc(C#N)c1 40464858 OFLSLGQHZOEDAM-UHFFFAOYSA-N 335.407 3.484 30 40 EGEB CCCCCCCc1nc2nc(C)c(Br)c(O)n2n1 2345331 PRUKBSHAOKNJRU-UHFFFAOYSA-N 327.226 3.414 30 40 EGEB CC1=CC(=O)[C@H](C(=O)/C=C/c2ccc(OCCC(C)C)cc2)C(=O)O1 3543699 LFRBXEMUIZPQHJ-AIADIJKESA-N 342.391 3.340 30 40 EGEB CCCCc1nc(N2CCNCC2)c(C#N)c2c1CSC(C)(C)C2 13118208 XCNTYAMCOLKFEW-UHFFFAOYSA-N 344.528 3.273 30 40 EGEB C/C(=N\NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(C)s1 6279083 LZINRDADLJXPLU-XNTDXEJSSA-N 328.846 3.412 30 40 EGEB C[C@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2ccc(C#N)cc2)C1=O 4468464 UHJSHUUEQCDIGJ-GOSISDBHSA-N 339.782 3.179 30 40 EGEB N#Cc1cccnc1NC[C@H]1CCN(Cc2cccc3cccnc23)C1 65512536 WAGVJWCEWVYPJE-MRXNPFEDSA-N 343.434 3.435 30 40 EGEB C[C@@H](OC(=O)Cc1ccccc1Cl)C(=O)Nc1ccc(C#N)cc1 7535279 PKFUCIXQITXXBG-GFCCVEGCSA-N 342.782 3.325 30 40 EGEB C=CCn1c(=S)[nH]c(=O)c2c(C(=O)O)cc(-c3ccccc3)nc21 36617252 CHZIEBKBXZJRLM-UHFFFAOYSA-N 339.376 3.005 30 40 EGEB C=CCN(c1ccc(C)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 224996712 BNEWMLXROUAXGL-UHFFFAOYSA-N 332.381 3.285 30 40 EGEB N#Cc1cccnc1OC1CCN(C(=O)Nc2cccs2)CC1 96102877 JZDWSEVPKBFCCA-UHFFFAOYSA-N 328.397 3.090 30 40 EGEB CCOc1cc(/C=N/c2cccc(Cl)c2)ccc1OCC(N)=O 361062 QIUOXTRFJHCUQI-KEBDBYFISA-N 332.787 3.353 30 40 EGEB CN(C)c1ccc([C@@H]2CCCN2c2c(F)cc(C#N)cc2F)nn1 591613115 KPTDNFXZFROJFK-HNNXBMFYSA-N 329.354 3.034 30 40 EGEB COc1cc(/C=N/c2ccc(NC(C)=O)cc2)cc(OC)c1OC 67354 RSEXKHDTWMIFLZ-YBFXNURJSA-N 328.368 3.421 30 40 EGEB CCS(=O)(=O)c1cccc(C(=O)Nc2sc(C)c(C)c2C#N)c1 4585849 LSWGZRMGTQZWKH-UHFFFAOYSA-N 348.449 3.283 30 40 EGEB C=CC/N=C1/S/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N1CC=C 4888761 LDNVNTOFDUEHBU-YYFCYBIDSA-N 329.381 3.239 30 40 EGEB C#Cc1cccc(NC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)c1 25614169 BIHWEXXYFGOMGD-INIZCTEOSA-N 338.432 3.363 30 40 EGEB C=CCc1cc(C=O)cc(OC)c1OS(=O)(=O)c1ccccc1 57925135 WASRQNXWYWKYQP-UHFFFAOYSA-N 332.377 3.004 30 40 EGEB N#Cc1ccc(N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)nc1 28740723 QEQIOQHYARKKHR-UHFFFAOYSA-N 346.356 3.294 30 40 EGEB CC1(C)[C@@H](C(=O)Nc2sc3c(c2C#N)CCCCC3)[C@H]1C(=O)O 71286912 MBINNKZANNFZCF-OLZOCXBDSA-N 332.425 3.184 30 40 EGEB C=C(C)CN1CCC(NC(=O)Nc2ccc3c(c2)CCCN3C)CC1 71880063 NGAPAEBHBCMTHN-UHFFFAOYSA-N 342.487 3.231 30 40 EGEB CCOc1ccc(Cn2cc(C#N)c(=O)c3cc(Cl)ccc32)nc1 79052147 RDWWXTNJCXMFNQ-UHFFFAOYSA-N 339.782 3.369 30 40 EGEB C[C@H]1CN(C(=O)NCC#Cc2ccccc2)C[C@H](c2ccsc2)O1 84714204 OUJQRQYVCLDCGO-MAUKXSAKSA-N 340.448 3.271 30 40 EGEB Cc1ccc([C@H]2[C@@H](C=O)[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 218656503 QKGKLUQMQDJVJF-IKGGRYGDSA-N 334.824 3.403 30 40 EGEB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(F)cc3)C2(C#N)C#N)cc1 218366600 KLGQLCVNOJYCMT-IAGOWNOFSA-N 340.379 3.107 30 40 EGEB C[C@@H](NCc1cc(C#N)cnc1Cl)[C@H](c1ccccc1)N(C)C 585116728 GYTJMWWGKVOSSH-CXAGYDPISA-N 328.847 3.388 30 40 EGEB CCOC(=O)c1cccc(N(CC)C(=O)c2cc(C#N)cs2)c1 84085425 BTXGARCLNOKAFP-UHFFFAOYSA-N 328.393 3.463 30 40 EGEB CCCOc1c(I)cc(/C=N/O)cc1OCC 13747726 VKEGOYHOHPDBNB-RIYZIHGNSA-N 349.168 3.287 30 40 EGEB N#Cc1cc2c(nc1Sc1ccc([N+](=O)[O-])cc1C=O)CCC2 13573939 DNTWBEVTIKRBEJ-UHFFFAOYSA-N 325.349 3.314 30 40 EGEB N#CCCN(Cc1cccnc1)C(=O)c1cc(-c2cccs2)on1 69457489 RDYTUSGIGGCSEF-UHFFFAOYSA-N 338.392 3.354 30 40 EGEB CCc1ccc(NC(=O)[C@H](C#N)C(=O)CCc2c(C)noc2C)cc1 103504568 DYGWVWCYMDBCGG-QGZVFWFLSA-N 339.395 3.134 30 40 EGEB CC(C)COC(=O)C[N+](C)(C)CCO[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C 100583988 ZCGXPPMGQSXPBJ-QKLQHJQFSA-N 340.528 3.493 30 40 EGEB CCOc1ccc(CCNC(C)=C2C(=O)CCCC2=O)cc1OCC 100140253 QBOJIYVDPORDPZ-UHFFFAOYSA-N 345.439 3.212 30 40 EGEB CC(=O)Nc1ccc(/C=C/C(=O)N(CCC#N)Cc2ccco2)cc1 58193362 CPYPEEZFNRDGGF-JXMROGBWSA-N 337.379 3.194 30 40 EGEB C=CCN(CC(=O)N1CCCc2cc(OC)ccc21)C1CCCC1 48342043 JMDGSNNBGRZXAE-UHFFFAOYSA-N 328.456 3.405 30 40 EGEB CC(C)(C)CN(CCC#N)CC(=O)Nc1ccnn1C1CCCC1 69846369 APWXQOSNDOEJTN-UHFFFAOYSA-N 331.464 3.198 30 40 EGEB CC(C)c1ccc(N2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)cc1 5009263 KELULDWWUVHRQL-UHFFFAOYSA-N 332.407 3.403 30 40 EGEB C[C@@H](OC(=O)c1cc2c(s1)CCC2)C(=O)Nc1cccc(C#N)c1 5308398 JQIRFPMJBCLVMN-LLVKDONJSA-N 340.404 3.292 30 40 EGEB CSc1nc(NCCCO)c(C#N)c(-c2ccc(Cl)cc2)n1 19794128 CEDHNDKZZISSIU-UHFFFAOYSA-N 334.832 3.185 30 40 EGEB CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cc(C#N)cs1 84110680 NGFTXALUQXBEJG-UHFFFAOYSA-N 349.406 3.102 30 40 EGEB C[C@@H](CN(C)C(=O)NCc1cc(C#N)ccc1F)c1nccs1 97086305 GZDYBYXTRDMJOS-NSHDSACASA-N 332.404 3.099 30 40 EGEB Cc1ccccc1[C@@H]1CN(C(=O)Cc2ccc(C#N)cc2)[C@@H](C)CO1 174389089 WPARXJDAJFNLLQ-JXFKEZNVSA-N 334.419 3.398 30 40 EGEB COC(=O)c1cccc(/N=C\c2ccc(N3CCOCC3)c(F)c2)c1 409126878 BVFKHDYJXBHDDG-BKUYFWCQSA-N 342.370 3.200 30 40 EGEB N#Cc1ccc(NCc2cc(Br)c3c(c2)OCO3)nc1 49100060 LVZKWSNCNFVJNT-UHFFFAOYSA-N 332.157 3.057 30 40 EGEB Cc1nc(N=C(O)c2cnnn2C)sc1Cc1cccc(Cl)c1 330031591 APZLMEIOIUYDKA-UHFFFAOYSA-N 347.831 3.461 30 40 EGEB C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43CO)[C@H]1CC[C@H]2C(=O)O 254445746 BLYFONBCAVAHLI-MJKUBCPDSA-N 332.440 3.192 30 40 EGEB CN(C)c1ccc([C@H]2CCCN2Cc2ccc(C#N)cc2Cl)nn1 591625571 RNKQCIZRQJLBHZ-QGZVFWFLSA-N 341.846 3.405 30 40 EGEB C[C@@H](CC(=O)NC1(C#N)CCC2(CC1)OCCO2)c1ccc(F)cc1 69621858 YYQGJJIPWKQBSP-AWEZNQCLSA-N 346.402 3.015 30 40 EGEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cccnc1 13635077 KRLGNIDZIXZFTK-GOSISDBHSA-N 346.390 3.449 30 40 EGEB N#Cc1cccc(C(=O)N(CCc2cccs2)C2CCOCC2)c1 206676830 MQCLJZQMTCIEGQ-UHFFFAOYSA-N 340.448 3.484 30 40 EGEB O=C(O)COc1ccc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1 5119804 NXVWNCHVHYSKHH-IFRROFPPSA-N 339.273 3.010 30 40 EGEB Cc1cccc(C)c1OCC(=O)OCCOc1ccc(C#N)cc1 22158110 DGKZXFNURHNSHJ-UHFFFAOYSA-N 325.364 3.176 30 40 EGEB C[C@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1ccc(Cl)c(Cl)c1 6606864 KDVHMJXEJIHLMJ-MGPLVRAMSA-N 340.254 3.452 30 40 EGEB O=C(O)Cc1sc(N/N=C/c2ccco2)nc1-c1ccccc1 4994204 DDKMYJKBCWLTKF-LICLKQGHSA-N 327.365 3.476 30 40 EGEB CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1Cc1ccc(C#N)cc1F 69668693 CBTMBJVRYJFESN-QZTJIDSGSA-N 329.419 3.063 30 40 EGEB COc1cccc([C@H](C2=C(O)CCCC2=O)C2C(=O)CCCC2=O)c1 101674147 OAFBWIZJAMBOMQ-SFHVURJKSA-N 342.391 3.282 30 40 EGEB N#Cc1cccc(-c2nc([C@H]3CC(=O)N(Cc4ccccc4)C3)no2)c1 44425232 RRYXKLXNVHXMIT-KRWDZBQOSA-N 344.374 3.124 30 40 EGEB CN(C)[C@@H](CNC(=O)Nc1cccc(C#N)c1)c1ccc(F)cc1 48052642 KQTUNAPHDZQTSC-KRWDZBQOSA-N 326.375 3.122 30 40 EGEB COc1cc(C(=O)NCC#Cc2ccccc2)cc(Cl)c1OC 12781174 BBTMPJYPJLKBSZ-UHFFFAOYSA-N 329.783 3.139 30 40 EGEB Cc1cc(-c2nnc(S)n2/N=C/C(Cl)=C/c2ccccc2)[nH]n1 18209369 CVABTOKHXBADGM-BXOFLPTQSA-N 344.831 3.379 30 40 EGEB C/N=C(\NCc1ccsc1)NC[C@@H]1CCO[C@@H]1c1ccccc1 89597922 URKCRVQPILTWLD-DLBZAZTESA-N 329.469 3.191 30 40 EGEB N#Cc1c(/N=C/c2ccc(OCC(N)=O)cc2)sc2c1CCCC2 409207800 ADMMFKWUVYCXSU-UFFVCSGVSA-N 339.420 3.113 30 40 EGEB C=CCN(c1ccc(OC)cc1OC)S(=O)(=O)c1cccs1 225125905 AATNUEMIEALWKR-UHFFFAOYSA-N 339.438 3.147 30 40 EGEB N#Cc1cccc(C(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)c1 96096914 VJKHEEOLHDFHTG-UHFFFAOYSA-N 341.798 3.290 30 40 EGEB Cc1cnc([C@@H](NC(=O)NCc2cccc(C#N)c2)C2CC2)s1 96439208 YCEVPLALBKGHPJ-HNNXBMFYSA-N 326.425 3.274 30 40 EGEB Cc1ncn(-c2ccc(NC(=O)c3cc(O)cc(C#N)c3)cc2)c1C 589730224 RJRSRJPPWSZPSJ-UHFFFAOYSA-N 332.363 3.319 30 40 EGEB CCn1cc(C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)c2ccccc21 58267325 VPDKJIJXEDHZCE-OAHLLOKOSA-N 347.422 3.469 30 40 EGEB CC1=NC(=N)S/C1=N\NC1=C(C)[C@H](C)[C@H](c2ccccc2)C1=O 1554503360 GQOASFRDYQRXMK-IWNBGPOJSA-N 326.425 3.309 30 40 EGEB C/C(=C\COc1ccc2ccc(=O)oc2c1)C1=CC(=O)C(C)(C)O1 13819822 OUTLLBZGJYDUQE-XYOKQWHBSA-N 326.348 3.380 30 40 EGEB C=CCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccccc1C 13995758 GCGITYGPFDBDJQ-HNNXBMFYSA-N 338.407 3.317 30 40 EGEB COc1cc(/C=C2\C(=O)ON=C2c2ccc(Cl)cc2)ccc1O 12418996 POXCIMKSKKNYEL-JYRVWZFOSA-N 329.739 3.399 30 40 EGEB c1ccc2c(c1)CCC/C2=N\Nc1nn2cnnc2c2ccccc12 4880738 WUEKIISPMVILPR-HEHNFIMWSA-N 328.379 3.430 30 40 EGEB COc1ccc([C@@H]2/C(=C(\O)c3ccc(C)cc3)C(=O)C(=O)N2C)cc1 102671640 LIFKDENNUZQDGZ-GROYHEBESA-N 337.375 3.055 30 40 EGEB N#Cc1c(COC(=O)c2cncn2-c2ccccc2)cn2ccccc12 22518989 BGNWOEIRDGTHGR-UHFFFAOYSA-N 342.358 3.354 30 40 EGEB COc1cc(OC)c(NC(=O)CNc2ccc(C#N)cc2)cc1Cl 11155728 CYAHRCYXINCFRA-UHFFFAOYSA-N 345.786 3.279 30 40 EGEB C[C@H](C#N)Sc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1 4494151 DKYPOPMUHOUZLG-RISCZKNCSA-N 332.404 3.267 30 40 EGEB C=CCN1c2ccccc2NC(=O)[C@@H]1CC(=O)Nc1ccc(C)cc1 7987746 YGDDKPCTEBMRRB-SFHVURJKSA-N 335.407 3.337 30 40 EGEB c1ccc2c(c1)CCC/C2=N/Nc1nn2cnnc2c2ccccc12 16946059 WUEKIISPMVILPR-FXBPSFAMSA-N 328.379 3.430 30 40 EGEB N#Cc1cc(N2CCC[C@H](CCC(N)=O)C2)nc2ccc(Cl)cc12 72290371 PKKQWTBDKJWLHM-GFCCVEGCSA-N 342.830 3.242 30 40 EGEB CC(=O)N[C@H](CC(=O)Nc1sccc1C#N)c1c(F)cccc1F 72296326 UDEDLWREEAISLD-CYBMUJFWSA-N 349.362 3.104 30 40 EGEB N#CC1(C(=O)N2CCC[C@H](c3cc(C(F)(F)F)[nH]n3)C2)CCCC1 78901794 UHYMEIGVSWSOAO-NSHDSACASA-N 340.349 3.218 30 40 EGEB N#Cc1ncoc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 27755110 AOTDKYMEFVHBMW-UHFFFAOYSA-N 344.418 3.458 30 40 EGEB COc1cc([C@H]2CC(=O)OC3=C2C(=O)CC(C)(C)C3)cc2c1OCO2 524729420 STQDWYRQIYTPLT-LLVKDONJSA-N 344.363 3.098 30 40 EGEB biogenic COc1cc(Br)c(CNc2cnccc2C#N)cc1OC 94154173 KDAOGROFIRVDHU-UHFFFAOYSA-N 348.200 3.345 30 40 EGEB N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccnc(C2CC2)n1 610598451 GFOIGOGCSVYMRU-WMZOPIPTSA-N 332.407 3.266 30 40 EGEB CN(C)c1ccc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)cc1 598872371 RUKKICSEAMZEOY-UHFFFAOYSA-N 349.434 3.060 30 40 EGEB N#Cc1cc(F)c(N2CCC(c3nncn3C3CC3)CC2)c(F)c1 91483560 ZTOJOCKZBOXBCS-UHFFFAOYSA-N 329.354 3.147 30 40 EGEB COc1cccc(/C=C/c2nc(C#N)c(NCCCN(C)C)o2)c1 8373924 RYMYZHWGORRYKT-CMDGGOBGSA-N 326.400 3.089 30 40 EGEB CN1C(=S)N(CCc2ccccc2)C(=O)/C1=C/c1ccc(C#N)cc1 33496948 FOCLFWSIXXCQNA-AQTBWJFISA-N 347.443 3.201 30 40 EGEB Cc1cc(C)c(NC(=O)CO/N=C(/N)c2ccc(C)c(F)c2)c(C)c1 54269323 YKLFVSDWOHEYOA-UHFFFAOYSA-N 343.402 3.335 30 40 EGEB C[C@H](/N=C(/NC[C@@H](O)c1ccccc1F)NC1CC1)c1cccs1 75583421 DWIDMQOEDUFYML-BLLLJJGKSA-N 347.459 3.379 30 40 EGEB C=CCOC(=O)c1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O 2480872 WOANTZVFIQAJGI-UHFFFAOYSA-N 335.359 3.447 30 40 EGEB Cn1cc(C/C(O)=N/S(=O)(=O)c2ccc(F)cc2)c2ccccc21 62674110 DYTQHSWERIYXNS-UHFFFAOYSA-N 346.383 3.205 30 40 EGEB CC(=O)N(C)c1ccc(/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 13114212 QMHAIKJIWGKRHF-GIJQJNRQSA-N 341.323 3.057 30 40 EGEB Cc1ccc(C)c(NC(=O)CN(C)c2ccc(C#N)cc2[N+](=O)[O-])c1 8777272 GEMYUMDTDIYBFS-UHFFFAOYSA-N 338.367 3.158 30 40 EGEB C[C@H]1CN(Cc2ccc(C(=O)Nc3cccc(C#N)c3)cc2)CCO1 25041300 GXRZLZPBOFSCGX-HNNXBMFYSA-N 335.407 3.031 30 40 EGEB C=CCNC(=O)c1ccccc1NC(=O)Nc1ccccc1OC 225766548 MMDZVBNWYPBMNS-UHFFFAOYSA-N 325.368 3.255 30 40 EGEB C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2ccc(C#N)nc2)C1 97227719 MFWFEUNLNYQIPV-KGLIPLIRSA-N 330.432 3.083 30 40 EGEB O=[N+]([O-])c1ccc(N/N=C\c2cc(Cl)cc(Cl)c2O)nc1 12339648 SKTFXOYRLQSRAW-BNCCVWRVSA-N 327.127 3.448 30 40 EGEB Cn1nc(C(F)(F)F)c(C=NNc2ccc([N+](=O)[O-])cc2)c1Cl 255004033 KVSWJIZIGAEKCP-UHFFFAOYSA-N 347.684 3.447 30 40 EGEB CCc1n[nH]c(S[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)n1 11717305 DVPYONRBSWQLEO-QMMMGPOBSA-N 335.820 3.011 30 40 EGEB C[C@@]12[C@H]3O[C@@H]4CC[C@H]5[C@H]4[C@@H]1[C@@H]1[C@H]4[C@@H]2[C@@H]2CC[C@@H](O3)[C@@H]2[C@@H]4[C@@](C)(C=O)[C@H]51 104294684 GLLJQNVYACDGFA-KUIOBPKXSA-N 340.463 3.126 30 40 EGEB COc1cc(/C=C/C(=O)c2ccccc2F)c(OC)c2c1OCO2 35324226 QGAVCXGJZGAGIG-BQYQJAHWSA-N 330.311 3.468 30 40 EGEB O=C(CCc1ncc(-c2ccccc2Cl)o1)/N=C1\NCCS1 44894221 QKTKDRDIZYDLQH-UHFFFAOYSA-N 335.816 3.147 30 40 EGEB C=CCNC(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)n1 2485396 NDUFAJPNOVQUFM-UHFFFAOYSA-N 343.330 3.150 30 40 EGEB C#CCN(Cc1ccc(F)cc1)C(=O)Nc1nnc(C2CC2)s1 65984636 RHNVQBARBVLAIF-UHFFFAOYSA-N 330.388 3.222 30 40 EGEB O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccccc1)n1nnnc1N2 18200745 VZSJHKCKKLCYOC-DNVCBOLYSA-N 343.390 3.089 30 40 EGEB N#Cc1cc(Br)ccc1NCCCOC1CCOCC1 96008481 VSXABZOBRWVOQV-UHFFFAOYSA-N 339.233 3.318 30 40 EGEB Cn1cc(C#N)cc1C(=O)N1CCC(Nc2ccccc2Cl)CC1 95409213 HEGGQVQQIZCJJT-UHFFFAOYSA-N 342.830 3.267 30 40 EGEB COCCC1(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)CCC1 89410046 HHJLOJFWZDOUOC-UHFFFAOYSA-N 342.439 3.135 30 40 EGEB COc1ccc(C(=O)N2CCC(C#N)CC2)c(OCCC(C)C)c1 190739236 PLLFRXBOBIIXDX-UHFFFAOYSA-N 330.428 3.496 30 40 EGEB N#CC1(NC(=O)CCC(=O)c2csc3ccccc23)CCOCC1 87366178 APKOUDVOJBMQSS-UHFFFAOYSA-N 342.420 3.053 30 40 EGEB C[C@]12CN(NC(=O)c3ccc(Cl)cc3)[C@]3(C#N)C[C@@H]1CC[C@@]23C 100495250 GICLVULQWFFDEX-MGHWNKPDSA-N 329.831 3.389 30 40 EGEB CC1CCC(N(C)C(=O)CO/N=C(\N)c2ccc(Cl)cc2)CC1 32907875 ZWUXPKMRKRLMDZ-UHFFFAOYSA-N 337.851 3.014 30 40 EGEB Cc1nc(C)c(C#N)c(S[C@H](C(=O)NC2CC2)c2ccccc2)n1 12780384 VZFGGQWTVYASHC-INIZCTEOSA-N 338.436 3.077 30 40 EGEB CC[C@@H](C)N(C(=O)CSc1nc(C)nc(C)c1C#N)[C@H](C)CC 12893277 RPEMSMLXRAOXSE-VXGBXAGGSA-N 334.489 3.483 30 40 EGEB CCc1cc[n+](CC(=O)Nc2ccc(Br)cc2C)cc1 13135263 OHRLWNXBZICUQP-UHFFFAOYSA-O 334.237 3.246 30 40 EGEB C[C@H](CS(C)(=O)=O)N(C)Cc1ccc(-c2ccccc2C#N)cc1 69661963 JMRWTHGPFXLXMM-OAHLLOKOSA-N 342.464 3.090 30 40 EGEB COc1cccc([C@H](CNC(=O)c2ccc(C#N)cc2)N2CCCC2)c1 14140148 NEKDSHODAWMHNI-FQEVSTJZSA-N 349.434 3.134 30 40 EGEB C=CCn1c(C)nnc1SCC(=O)N[C@@H](C)c1ccc(C)c(C)c1 14110745 MBXOQIMDBCWMMJ-AWEZNQCLSA-N 344.484 3.359 30 40 EGEB COc1ccc(OC)c(/C(C)=N/NC(=S)NCc2ccccc2)c1 5417582 WPYBRVBDIBHSFF-DEDYPNTBSA-N 343.452 3.092 30 40 EGEB S=C(N/N=C/c1cc2c(cc1Cl)OCO2)Nc1ccccc1 5595296 NKBWQLXISBKFBJ-CAOOACKPSA-N 333.800 3.389 30 40 EGEB CC(=O)c1cccc(NC(=O)COc2ccc(C#N)cc2Cl)c1 7855781 HXZDHKUJEXPLDA-UHFFFAOYSA-N 328.755 3.432 30 40 EGEB N#C[C@]1(NC(=O)CCc2ccc(C(F)(F)F)cc2)CCSC1 71884657 FKSSMFPKXOVGOA-CQSZACIVSA-N 328.359 3.153 30 40 EGEB C=CCCO[C@@H](C)C(=O)Nc1ccc(NC[C@@H]2CCCO2)c(F)c1 71916154 LFNPBSLSPLIXSC-ZFWWWQNUSA-N 336.407 3.336 30 40 EGEB Cc1ccc(NC(=O)c2c[nH]c(C#N)c2)cc1NC(=O)c1ccncc1 97048192 SGEFCBGFMNSGEZ-UHFFFAOYSA-N 345.362 3.094 30 40 EGEB CCCOc1cc(C)ccc1CN/C(=N/C)NCc1nc(C)c(C)o1 97021915 CEJIYQGUNFLRKG-UHFFFAOYSA-N 344.459 3.254 30 40 EGEB Cc1nnc(S/C(=C\c2cn(CC#N)c3ccccc23)C(=O)O)o1 408632062 JPHKUBWBYRZNEA-ZSOIEALJSA-N 340.364 3.074 30 40 EGEB CC[C@](C)(NCc1nnc(-c2ccc(C#N)cc2)o1)c1nccs1 72685008 YHYGVAZJZDTELC-KRWDZBQOSA-N 339.424 3.480 30 40 EGEB CN1CCC(N(C(=O)c2cccc(C#N)c2)c2cccc(F)c2)CC1 78996587 ZDIGUZBOBYNOQE-UHFFFAOYSA-N 337.398 3.438 30 40 EGEB CCCCCCCCCCCNC(=O)[C@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)O 97941854 ZTMVRTJMXOQSMD-QZWWFDLISA-N 337.460 3.288 30 40 EGEB CC(C)CCO[C@@H](C)/C(O)=N/S(=O)(=O)c1ccc(F)cc1F 69282515 NATJKUCNJFFFNY-JTQLQIEISA-N 335.372 3.061 30 40 EGEB C=CCn1c(C)nnc1SCc1nnc(-c2ccc(OC)cc2)o1 14109223 SQFQMDOMAGSRHP-UHFFFAOYSA-N 343.412 3.123 30 40 EGEB CCc1nnc(S)n1/N=C/c1cc(C)n(-c2ccccc2)c1C 8123568 VSBWKIPNGIWPJW-WOJGMQOQSA-N 325.441 3.419 30 40 EGEB COc1ccc(/C=C2\Oc3cc(OCC#N)ccc3C2=O)c(OC)c1 13768740 WSRIGWFKMPPNDW-NVMNQCDNSA-N 337.331 3.222 30 40 EGEB biogenic N#Cc1ccsc1NC(=O)COC(=O)c1ccc2ncsc2c1 2644683 UVJNYSNRIVGQHI-UHFFFAOYSA-N 343.389 3.025 30 40 EGEB N#Cc1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCCC2 2750977 FUDLCZYASOUKOC-STQMWFEESA-N 344.436 3.494 30 40 EGEB N#Cc1cc(F)c(N2CCC[C@@H](c3nnc4ccccn34)C2)c(F)c1 58224968 VANWBZBJJWIECY-CYBMUJFWSA-N 339.349 3.263 30 40 EGEB N#Cc1ccccc1COC(=O)c1ccc(CN2CCCC2=O)cc1 7007063 OCBCGIIQSUDJIG-UHFFFAOYSA-N 334.375 3.038 30 40 EGEB N#Cc1ccc(/C=C/C(=O)c2ccc(N3CCOCC3)c(F)c2)cc1 7586460 JYIONGWEYRPRJP-VMPITWQZSA-N 336.366 3.430 30 40 EGEB C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(C(=O)CCc2ccc(C#N)cc2)C1 71830760 BSQCDQFQSOUOBZ-MBOZVWFJSA-N 339.483 3.355 30 40 EGEB N#CC1(CS(=O)(=O)N(Cc2c(F)cccc2Cl)C2CC2)CC1 97144277 JGIWJCFVBXZZPU-UHFFFAOYSA-N 342.823 3.077 30 40 EGEB O=C(Nc1cccc(C#Cc2cccs2)c1)N1CCC[C@@H](O)C1 84374416 GCYOROAFRKEGFO-MRXNPFEDSA-N 326.421 3.137 30 40 EGEB CN(c1cccc2ncccc12)S(=O)(=O)Cc1cccc(C#N)c1 95444821 PYHLVIIWNQWXLM-UHFFFAOYSA-N 337.404 3.073 30 40 EGEB CO[C@@]1(C(=O)Nc2ccc(OC(C)=O)c(C#N)c2)CCC[C@@H](C)C1 225809634 REFJEMPXBZPSRE-XIKOKIGWSA-N 330.384 3.017 30 40 EGEB CC[C@@H](O/N=C(\C)c1sc(C)nc1C)C(=O)Nc1cc(C)on1 42115421 DSSIGTOSNLHYHS-SGEFVQMOSA-N 336.417 3.214 30 40 EGEB CN(Cc1cccc(C#N)c1)C(=O)Cn1c(C2CC2)nc2ccccc21 58392913 KTTSDSJYTSHWRE-UHFFFAOYSA-N 344.418 3.444 30 40 EGEB COc1ccc(/C=N/Nc2snc(SC)c2C#N)cc1OC 4482123 ZBKLKXXWAJJABZ-LZYBPNLTSA-N 334.426 3.200 30 40 EGEB COc1ccc(OC)c2sc(NC(=O)c3ccc(C#N)cc3)nc12 2713913 WNRGJCYGXYYORN-UHFFFAOYSA-N 339.376 3.437 30 40 EGEB C=C[C@H]1C[N+]2(C)CC[C@@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12 1280206 SJTSZVLGFLZBFK-ZDRGKUAFSA-N 339.459 3.318 30 40 EGEB N#C[C@H]1C(=O)NC(=O)[C@H](C#N)C1c1c2ccccc2cc2ccccc12 1573072 QVKGRYRNPHFUSN-IAGOWNOFSA-N 339.354 3.013 30 40 EGEB COCCOc1nc(-c2ccccc2)c2c(c1C#N)CC(C)(C)OC2 12324994 YAGAYLADNLYNNR-UHFFFAOYSA-N 338.407 3.497 30 40 EGEB CN(C)CCCOc1nc(-c2ccco2)c2c(c1C#N)CCCC2 12324660 SAEFJKBNVZKWNK-UHFFFAOYSA-N 325.412 3.423 30 40 EGEB N#Cc1ccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1 22957355 RVVMRTHVFNCMKK-UHFFFAOYSA-N 342.298 3.258 30 40 EGEB C=CCO[C@@H]1[C@H]2CC[C@H]1N(C(=O)c1cc3ccccc3s1)CCO2 107720939 SSPGQIAWUCOELB-RKVPGOIHSA-N 343.448 3.476 30 40 EGEB CCN1C[C@@H](CN(C)Cc2ccc(C#N)cc2F)Oc2ccccc21 57744265 FJQMUHVSACLOLR-QGZVFWFLSA-N 339.414 3.417 30 40 EGEB Cc1cc(C)cc(CN2C(=O)N[C@](C)(c3ccc(C#N)cc3)C2=O)c1 12783035 HKEQFKXGYOCDNU-HXUWFJFHSA-N 333.391 3.142 30 40 EGEB C[C@H]1CCCC[C@@H]1NC(=O)CO/N=C/c1ccccc1OC(F)F 6047109 WPSYKOVAFMWVCN-RXYWKKKQSA-N 340.370 3.333 30 40 EGEB C=CCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(C)o1)C2=O 13786324 BOHYKAVPEJEGHI-YVLHZVERSA-N 340.331 3.312 30 40 EGEB N#C/C(=N/Nc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(Cl)cc1 17201606 SOLNKBICEXOWJR-RGEXLXHISA-N 328.715 3.423 30 40 EGEB Cc1ccc(NC(=O)C[C@H]2S/C(=N\C(C)C)N(C(C)C)C2=O)cc1 18175682 SPYSRFPNYGKKJX-RAJOGRCSSA-N 347.484 3.440 30 40 EGEB CCCN1C(=O)[C@@](O)(CC(=O)/C=C\c2ccccc2)c2ccccc21 4554667 XKXUSLXGMBSVQH-BIGNBACZSA-N 335.403 3.303 30 40 EGEB C#CCN1CCC(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)CC1 66397234 PBMKLMFWVSOIOI-LJQANCHMSA-N 337.467 3.010 30 40 EGEB CN1CCc2nc3sc(C#N)c(N)c3c(-c3cccs3)c2C1 19816442 RHAJJYRWAQSUOQ-UHFFFAOYSA-N 326.450 3.467 30 40 EGEB aggregator C=CCCC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C(=O)CCC=C 72297940 DVTLJIZXNAEPTK-KRWDZBQOSA-N 332.419 3.374 30 40 EGEB O=S(=O)(/C=C/c1ccc(F)cc1)/N=C(\O)[C@@H]1CC1(Cl)Cl 95407456 CPXOJUCRUTYZCV-PORFMDCZSA-N 338.187 3.277 30 40 EGEB N#Cc1ccc(C(=O)OC[C@H]2CCCN(Cc3ccccc3)C2)nc1 79355816 LPDOLFPNEDJAAL-SFHVURJKSA-N 335.407 3.022 30 40 EGEB C#CCOC(=O)c1cc(Cl)c(OCc2cccnc2)c(OC)c1 216845167 PJVZXZHSGFFWNP-UHFFFAOYSA-N 331.755 3.113 30 40 EGEB Cc1cccc(Cn2nc(OCc3ccc(F)cc3)c(C#N)c2N)c1 225845364 LKAIXDWTCIJFOW-UHFFFAOYSA-N 336.370 3.412 30 40 EGEB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OC(C)=O)c(C#N)c1 225825893 AQJINJIMTWRRRK-SFHVURJKSA-N 332.400 3.407 30 40 EGEB C=CCO[C@@H]1CCN(C(=O)Cc2ccsc2)[C@H]1Cc1cccnc1 96200156 PATAEVLROJZHOK-ZWKOTPCHSA-N 342.464 3.100 30 40 EGEB O=S(=O)(/N=C(\O)Cc1cccnc1)c1c(Cl)cccc1Cl 76765803 MJZXXXLYAADKLT-UHFFFAOYSA-N 345.207 3.276 30 40 EGEB CCOC(=O)c1cnc(S/C=C/C(=O)c2ccc(C)cc2)nc1N 174127 JCORKPWXEJHZSU-CMDGGOBGSA-N 343.408 3.033 30 40 EGEB COc1ccc(/C=C2\Oc3c(OC)c(OC)cc(OC)c3C2=O)cc1 16969093 JSXRDAWPUVMIFI-ZROIWOOFSA-N 342.347 3.337 30 40 EGEB N#Cc1cccnc1N1C[C@H]2CN(c3nc4ccccc4s3)C[C@H]2C1 2087045476 FQSAEEHCEGNNBC-GASCZTMLSA-N 347.447 3.136 30 40 EGEB Cc1ccc(S(=O)(=O)/N=C(\c2ccc(Cl)cc2)N(C)C)cc1 100847947 QEIQMXAWEUKIRW-FBMGVBCBSA-N 336.844 3.346 30 40 EGEB CC[C@H](C)NC(=O)CSc1nc2ccc(OC)cc2cc1C#N 411100 MWPUDGYQDWQTEG-NSHDSACASA-N 329.425 3.122 30 40 EGEB C/C(=C\C(=O)c1c(O)c2ccccc2n(C)c1=O)NCc1ccccc1 101153857 FZIRHOBISUQGSM-WYMLVPIESA-N 348.402 3.120 30 40 EGEB N#Cc1ccccc1OCC(=O)N[C@@H]1CCCC[C@H]1C(F)(F)F 22912739 UMRSOCCZEXSEGU-CHWSQXEVSA-N 326.318 3.174 30 40 EGEB CNC(=O)c1ccc(/C=C/C(=O)[C@H](C#N)c2nc3ccccc3o2)cc1 54736179 ZWFWVOIKTJLJAV-SHQCLWGWSA-N 345.358 3.077 30 40 EGEB CC(C)NC(=O)Nc1cccc(C(=O)OCC#Cc2ccccc2)c1 56232318 QUOFSIARRAHMCF-UHFFFAOYSA-N 336.391 3.425 30 40 EGEB CCOC(=O)c1sc(NC(=O)COc2ccccc2)c(C#N)c1C 1965077 IIBSDSNTYAVUNU-UHFFFAOYSA-N 344.392 3.122 30 40 EGEB C[C@@H]1CCc2c(sc(NC(=O)CCN3CCSC3=O)c2C#N)C1 70707901 YJYLJIYBVKMGSB-SNVBAGLBSA-N 349.481 3.242 30 40 EGEB N#Cc1ccc(/C=C2/SC(=O)N(CC(=O)c3ccccc3)C2=O)cc1 409226697 RHZSAZWKDZNUEM-LICLKQGHSA-N 348.383 3.477 30 40 EGEB N#C[C@H](C(=O)c1cnc(-c2ccc3c(c2)OCO3)s1)c1ccccn1 72270929 SSUIGDJJGRZBLR-LBPRGKRZSA-N 349.371 3.424 30 40 EGEB N#Cc1cc(NCc2cccc(C(N)=O)c2)nc2ccc(Cl)cc12 75142437 BZZNHSDGWAXEPS-UHFFFAOYSA-N 336.782 3.471 30 40 EGEB C=CCN1C(=O)N/C(=C/c2cc(C)n(Cc3ccccc3)c2C)C1=O 409123024 DIFXUUPAUCVLOF-LDADJPATSA-N 335.407 3.232 30 40 EGEB CN(C)CCC[C@@]1(c2ccc(F)cc2)O[C@@H](O)c2cc(C#N)ccc21 34433133 LJPQJFHBFOOIHE-UXHICEINSA-N 340.398 3.304 30 40 EGEB in-vitro Cc1nc(Br)cc2c(N(C)C[C@H](C)C#N)c(C#N)cnc12 521398593 SHUGIRMTDMSHME-SECBINFHSA-N 344.216 3.168 30 40 EGEB CN(CC(=O)[C@H](C#N)c1ccc2ccccc2n1)C(=O)OC(C)(C)C 96404846 ABSZEDNZSDNOOC-CQSZACIVSA-N 339.395 3.278 30 40 EGEB COc1ccc2c(ccn2C/C(O)=N/c2nc(CC(C)C)n[nH]2)c1 95477735 BZGLLFPIASOARR-UHFFFAOYSA-N 327.388 3.255 30 40 EGEB COc1cc(/C=N\N=C\c2cc(OC)cc(OC)c2)cc(OC)c1 5329066 JIZDVSMSMPJBHE-UHWBUFEVSA-N 328.368 3.174 30 40 EGEB Cc1ccc(C)c(NC(=S)N/N=C/c2ccc(C(=O)O)cc2)c1 6331382 HZUMSFLKLNXCLS-VCHYOVAHSA-N 327.409 3.322 30 40 EGEB C=CCNC(=O)[C@@H](C)OC(=O)c1ccc(Oc2ccc(F)cc2)cc1 8522968 UTDDKMIMCQPUSQ-CYBMUJFWSA-N 343.354 3.466 30 40 EGEB C=CCc1cc(OC)ccc1OC[C@H](O)CN1C[C@H](C)C[C@@H](C)C1 12138976 UQCLISNAFXATMP-JFIYKMOQSA-N 333.472 3.141 30 40 EGEB C#CCNC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 58245290 NQYMRDRIBVRDLG-UHFFFAOYSA-N 325.220 3.409 30 40 EGEB COc1cc(C#N)ccc1OCCCC(=O)N(C)Cc1ccc(C)o1 36391874 KFRCHRWWURVOEN-UHFFFAOYSA-N 342.395 3.286 30 40 EGEB N#Cc1ccc(NC(=O)COc2ccccc2Br)cc1 6000106 ZLOOERPAEPCGPP-UHFFFAOYSA-N 331.169 3.338 30 40 EGEB C=CCc1cc(/C=N/NC(=S)NCC)cc(OCC)c1OCC 409371814 IKRZPINZQQSZJF-XDHOZWIPSA-N 335.473 3.030 30 40 EGEB Cc1ccc(/C=C/C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 5155979 HLZJKKHRCUXHMC-MDWZMJQESA-N 329.421 3.141 30 40 EGEB COC(=O)COc1ccc(/C=N/Nc2nc3ccccc3s2)cc1 4545166 QHFDNUXHUCOXAB-VCHYOVAHSA-N 341.392 3.294 30 40 EGEB CCOC(=O)c1ccc(-c2ccc(/C=N/C(=S)C(N)=S)o2)cc1 5474438 AXLIHYBVZFGCSD-GIJQJNRQSA-N 346.433 3.156 30 40 EGEB COc1cc(/C=C/C(=O)NCc2ccc(C)cc2)ccc1OCC#N 7670863 OWTKYKIIWQOKHB-CSKARUKUSA-N 336.391 3.236 30 40 EGEB Cc1c(CNc2ccc(-c3nnc4n3CCCC4)cc2)cc(C#N)n1C 95429081 AUCVECHGTMIJLU-UHFFFAOYSA-N 346.438 3.412 30 40 EGEB CNc1ccc(/C=C2\COc3ccc(OC)cc3C2=O)cc1[N+](=O)[O-] 22958183 CUUSKXMUGFZDNM-KPKJPENVSA-N 340.335 3.304 30 40 EGEB COc1ccc(C(=O)N2CCCC[C@H]2[C@@H](C#N)c2ccccc2)cn1 72297929 XWRZJENCIOTAHZ-ROUUACIJSA-N 335.407 3.392 30 40 EGEB N#C[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NCCc1ccccc1 49545801 OCUUXGPLGNPTPN-OAHLLOKOSA-N 335.382 3.348 30 40 EGEB CCOc1cc([C@H](C#N)N2CCO[C@H](c3ccccc3)C2)ccc1O 41194267 HCLZRSWNXNLSIT-PXNSSMCTSA-N 338.407 3.429 30 40 EGEB CN(C)c1ccc(/C=N/Nc2nc(Cl)nn2[C@H]2CCCCO2)cc1 95116185 HSNXPKYRSZCILK-XWAFYUISSA-N 348.838 3.143 30 40 EGEB COc1ccccc1OCC#CCNC(=O)c1c(F)cccc1Cl 90610364 TVOMPNRDBPXBEQ-UHFFFAOYSA-N 347.773 3.300 30 40 EGEB C=CCNc1nc(N)c(C(=O)c2ccc(Br)s2)s1 5480614 ZPIKNDZBZINUHH-UHFFFAOYSA-N 344.259 3.378 30 40 EGEB CCO/N=C/c1ccc(OCc2ccc(C(=O)OC)o2)c(OCC)c1 17696121 LGSGDCNFLTZKLW-YBFXNURJSA-N 347.367 3.414 30 40 EGEB Cc1nc(N2CC(COc3cccnc3)C2)c(C#N)c(C)c1Cl 1889102674 KBCWWEZWPOCYKC-UHFFFAOYSA-N 328.803 3.134 30 40 EGEB COC(=O)c1sccc1N/C=C(/C(C)=O)C(=O)Nc1ccccc1 100278003 FTXDCQJWDLUMLW-RAXLEYEMSA-N 344.392 3.058 30 40 EGEB C[C@H]1CCc2c(C(=O)[C@H](C#N)C(=O)Nc3ccccn3)csc2C1 102387410 VCPROIRKSMYFKZ-AAEUAGOBSA-N 339.420 3.229 30 40 EGEB C[C@@]1([N+](=O)[O-])C(=O)[C@@]2(N3CCCCC3)CCC[C@H]2[C@H]1c1ccccc1 6442209 VGFYHNWVCSUSBB-KVPLUYHFSA-N 342.439 3.413 30 40 EGEB CC[C@@]1(C)NC(=O)N(/N=C/C=C2/N(C)c3ccccc3C2(C)C)C1=O 21841910 PCJMXPICVCLJLG-CXVSXBJHSA-N 340.427 3.004 30 40 EGEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1ccc(Cl)cc1Cl 103926648 MOXSPELNDHURPV-KISMZFHJSA-N 335.190 3.134 30 40 EGEB CC/N=C1/S[C@@H](C(=O)Nc2cccc(Cl)c2)CC(=O)N1CC 100203572 XGQLTKNFSZOXLH-OPGVCCBYSA-N 339.848 3.008 30 40 EGEB C=CCCO[C@@H](C)C(=O)NCCCc1cn(-c2ccccc2)nc1C 58316155 ZLVDRQZYEIRVCA-KRWDZBQOSA-N 341.455 3.211 30 40 EGEB N#Cc1cccc(S(=O)(=O)N[C@@H]2CCSc3ccccc32)c1 12813557 JDCYMAJXTNAOMN-OAHLLOKOSA-N 330.434 3.074 30 40 EGEB CC(C)c1noc(CCCC(=O)N(CCC#N)c2ccccc2)n1 69351898 HTNFOIRPKMLALN-UHFFFAOYSA-N 326.400 3.463 30 40 EGEB COc1ccc(/C(N)=N/OC(=O)/C=C/c2ccccc2Cl)cc1 4204895 AUGBIRFLPXSMPS-DHZHZOJOSA-N 330.771 3.226 30 40 EGEB CCN(CC)c1ccc([C@@H]2C3=C(CCCC3=O)Nc3ncnn32)cc1 6721133 ODOAUDLJIGITJU-GOSISDBHSA-N 337.427 3.146 30 40 EGEB N#Cc1ccc(OC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)cc1 8830959 WPOPJQTYMSDPJD-UHFFFAOYSA-N 348.314 3.204 30 40 EGEB COc1cc([C@@H](C)Nc2ccc(Cl)c(C#N)n2)ccc1OCCO 67368922 DNJTYWQNOADBJA-LLVKDONJSA-N 347.802 3.159 30 40 EGEB CCc1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)o1 7605287 WFCZLYPPDOUDKB-UHFFFAOYSA-N 348.453 3.175 30 40 EGEB CC(=O)Nc1cc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)ccc1F 72271661 NOKCCEFZMCUEAR-UHFFFAOYSA-N 342.374 3.465 30 40 EGEB O=C[C@@H]1[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 218671212 URYHGLJASKDYSV-OAGGEKHMSA-N 338.787 3.234 30 40 EGEB N#CCOc1cccc(NC(=O)NCCOc2cccc(Cl)c2)c1 48509491 CQATWMJVKLGLJZ-UHFFFAOYSA-N 345.786 3.443 30 40 EGEB COc1cc(/C(C)=N/OCc2ccccc2)ccc1S(C)(=O)=O 57782748 SUGAPRYUXCLINQ-QGOAFFKASA-N 333.409 3.040 30 40 EGEB CC(=O)Nc1ccc(/C=C/C(=O)c2nnn(-c3ccccc3)c2C)cc1 58195625 JIHYLISBTIBSKN-JLHYYAGUSA-N 346.390 3.430 30 40 EGEB COc1ccc(/C=N/NC(N)=S)cc1OCc1ccc(Cl)cc1 478848 QKLZUPKPHGXROQ-DJKKODMXSA-N 349.843 3.095 30 40 EGEB CCOc1ccc(OCCO/N=C/c2ccc(C(=O)OC)cc2)cc1 20887503 CMORXNVDRVAXLI-XSFVSMFZSA-N 343.379 3.301 30 40 EGEB N#Cc1ccccc1NC(=O)COC(=O)c1c(F)cccc1Cl 3232897 NQPQJGSVGJLSBB-UHFFFAOYSA-N 332.718 3.146 30 40 EGEB Cc1[nH]c(C(=O)N(CCC#N)[C@@H](C)C2CC2)c(C)c1C(=O)OC(C)C 65515921 OXPYQXCQUIZREV-AWEZNQCLSA-N 345.443 3.351 30 40 EGEB COc1ccc([C@@H](NS(=O)(=O)c2ccc(C#N)cc2)C(C)C)cc1 14187242 OOONTQWIEZEGGI-SFHVURJKSA-N 344.436 3.242 30 40 EGEB COCCN(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 69202935 MAMMVAAWQOMUMY-UHFFFAOYSA-N 325.368 3.461 30 40 EGEB N#Cc1cnc(Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)c(Cl)c1 71908218 ICYPFTDNHKPMFJ-OAHLLOKOSA-N 342.786 3.468 30 40 EGEB N#C[C@@H](C(=O)c1cccc(Nc2cnccn2)c1)c1ccc(F)cn1 97034335 FLWNRVVQCQUOCP-OAHLLOKOSA-N 333.326 3.244 30 40 EGEB Cc1noc(-c2ccccc2)c1/C(O)=N/S(=O)(=O)CC1CCCC1 97141035 OHYBZWAZSCRPOG-UHFFFAOYSA-N 348.424 3.475 30 40 EGEB C#CCOc1ccc(NC(=O)N2CCO[C@H](c3ccc(C)o3)C2)cc1 89652662 HJZZLGDRFKLBNS-SFHVURJKSA-N 340.379 3.205 30 40 EGEB Cc1ccc(N2CCO[C@H]2c2cn(Cc3ccc(C#N)cc3)nn2)cc1 216761762 SZORUMBDDGIABB-FQEVSTJZSA-N 345.406 3.042 30 40 EGEB N#C[C@H]1CCCC[C@@H]1Nc1ncc([N+](=O)[O-])cc1Br 585098799 CGGLWYNNHPSUGC-KCJUWKMLSA-N 325.166 3.247 30 40 EGEB COCCOc1ccc(C(=O)/C=C/c2cc(OC)ns2)cc1OC 585136249 XTBQPGMZSRAMNK-AATRIKPKSA-N 349.408 3.082 30 40 EGEB CCOc1cc(/C=C2\C(=O)ON=C2c2ccccc2)ccc1OCC#N 13914494 PYWFVVNDBYMNMP-VBKFSLOCSA-N 348.358 3.332 30 40 EGEB O=C(O)c1ccc(/C=N/N2C(=O)c3cccc4cccc(c34)C2=O)cc1 33043 GHUQGHTXDWZTDR-SRZZPIQSSA-N 344.326 3.168 30 40 EGEB Cc1cccc(OCc2nc(C#N)c(N3C[C@H](C)O[C@@H](C)C3)o2)c1 108654 XSODRGURJJWSRS-KBPBESRZSA-N 327.384 3.047 30 40 EGEB C#CCOc1ccc(/C=C2/N=C(c3ccc(C)cc3)OC2=O)cc1OC 4997981 AQDAYQVSXBGOHX-SFQUDFHCSA-N 347.370 3.360 30 40 EGEB Cn1c(-c2ccccc2)c(C(=O)Cn2cnc(C#N)n2)c2ccccc21 12532875 IELSPGAZFOUVED-UHFFFAOYSA-N 341.374 3.191 30 40 EGEB C[C@H](c1ccc(-n2cncn2)cc1)N(C)Cc1cc(C#N)ccc1F 25435261 YFQOMUIYIIMIOY-CQSZACIVSA-N 335.386 3.471 30 40 EGEB COc1cc(/C=N/Nc2ncnc3sc4c(c23)CCC4)ccc1O 12625478 ZEQVPYCTTMNPIL-DNTJNYDQSA-N 340.408 3.340 30 40 EGEB N#C[C@H](c1ccccc1)N1CCN(C(=O)/C=C/c2cccs2)CC1 12807607 KLJIKQQKHYLPJR-GFOMBABLSA-N 337.448 3.170 30 40 EGEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(N2CCCC2=O)c1 6988346 IXOZUWBCHWHZIL-CQSZACIVSA-N 349.390 3.091 30 40 EGEB CC(=O)c1sc(NC(=O)c2ccc3c(c2)OCO3)c(C#N)c1C 409110448 WCNXBSZDPQDWTA-UHFFFAOYSA-N 328.349 3.112 30 40 EGEB CC(C)NC(=O)Nc1ccc(C(=O)N(CCC#N)[C@@H](C)C2CC2)cc1 71800006 IOXUJSGUUAQGTO-AWEZNQCLSA-N 342.443 3.371 30 40 EGEB COCCOc1ccc(C(=O)/C=C/c2cnc3ccc(C#N)cn23)cc1 71914702 HYISHDGZKHJPAK-VMPITWQZSA-N 347.374 3.127 30 40 EGEB C[C@@H]1CCC[C@H](NC(=O)[C@@H](C)N(C)Cc2ccc(C#N)cc2)[C@@H]1C 46528162 YYBWXPFQASMJBD-NNFUDEMPSA-N 327.472 3.319 30 40 EGEB CCOC(=O)c1sc(NC(=O)c2cccnc2Cl)c(C#N)c1C 5473672 AWQHETDAHHHWNR-UHFFFAOYSA-N 349.799 3.406 30 40 EGEB Cc1nn2c(-c3cccnc3)c(C#N)c(N)nc2c1-c1ccccc1 5394157 SXHJXUZARHHYSM-UHFFFAOYSA-N 326.363 3.221 30 40 EGEB Cc1nc(C)c(CN2CCC[C@@H](COc3cc(C#N)ccn3)C2)s1 1776001467 VAGIOFFZWIUAMI-MRXNPFEDSA-N 342.468 3.318 30 40 EGEB COc1cc(/C=N/c2ccc(NC(C)=O)cc2)ccc1OC(C)=O 68343 IWQGMBJLRJIYSG-YBFXNURJSA-N 326.352 3.330 30 40 EGEB biogenic O=C1N/C(=N/c2ccccc2)S/C1=C\c1ccc(O)c([N+](=O)[O-])c1 32789158 HSPMPDLWEZPKRX-ZROIWOOFSA-N 341.348 3.192 30 40 EGEB Cc1cccc(NC(=O)C[n+]2cc(-c3ccccc3)n3c2CCC3)c1 16995997 JERGUXNTVFRVBI-UHFFFAOYSA-O 332.427 3.336 30 40 EGEB COc1cc(C#N)ccc1O[C@H](C)C(=O)NCCC1=CCCCC1 8489609 JIMUZPJOTLHGEJ-CQSZACIVSA-N 328.412 3.341 30 40 EGEB Cc1ccc(S(=O)(=O)OC[C@]23CC[C@@](C)(C(=O)C2)C3(C)C)cc1 100837556 FLGTYOMTXDOJJS-ROUUACIJSA-N 336.453 3.486 30 40 EGEB C=CCn1c(C)cc(C(=O)COc2ccc(C)nc2[N+](=O)[O-])c1C 8687609 UIQMPVFCYITWMX-UHFFFAOYSA-N 329.356 3.164 30 40 EGEB O=C1/C(=C\c2cnc(N3CCCC3)nc2)COc2c(F)cc(F)cc21 58201018 GODJFLRMUPBAMD-XGICHPGQSA-N 343.333 3.014 30 40 EGEB C=CCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(O)cc1 6744564 ZIJFYUMOHSBXJL-LJQANCHMSA-N 347.374 3.219 30 40 EGEB COc1ccc(N[C@@H](C)C(=O)Nc2cccc(C#N)c2)c(OC)c1 6831499 BFWSZNZUKKZUBT-LBPRGKRZSA-N 325.368 3.015 30 40 EGEB Cc1nc(-c2cccc(C(=O)N(CC#N)Cc3ccccc3)c2)no1 96422300 BWFAQZAHXAQIRH-UHFFFAOYSA-N 332.363 3.211 30 40 EGEB CCOc1ccc(OCC)c(N/C(N)=N/Cc2csc(C)n2)c1 72272414 GNMKHHDBQBXXBU-UHFFFAOYSA-N 334.445 3.176 30 40 EGEB N#Cc1cccc(CN2CCO[C@]3(CCCC[C@H]3N3CCCC3)C2)c1 306143168 XUYPUQCZOKZNEQ-NHCUHLMSSA-N 339.483 3.168 30 40 EGEB CN(Cc1cccc(C#N)c1)C(=O)c1ccc(-c2ccccc2)[nH]c1=O 75117548 CEDLHVFQLBVQMK-UHFFFAOYSA-N 343.386 3.186 30 40 EGEB C=CCc1cc(/C=C2\S/C(=N\C)N(C)C2=O)cc(OCC)c1O 408850583 OLXVCRDHCQZCEU-GVXDGLBUSA-N 332.425 3.051 30 40 EGEB COc1cc(/C=N/Nc2nc3ccccc3nc2Cl)ccc1O 32647106 QUHBSXLDCDLSLA-GIJQJNRQSA-N 328.759 3.443 30 40 EGEB COc1ccc(/C=N\OCC(=O)Nc2ccc(C)c(C)c2)cc1OC 33365945 IDCAWLNFHNABPW-JAIQZWGSSA-N 342.395 3.310 30 40 EGEB Cc1nnc(N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)c(C#N)c1C 96413757 LNLKQJSELXPERD-HNNXBMFYSA-N 338.386 3.204 30 40 EGEB N#Cc1cccc(/C=C/C(=O)Nc2ccc(O[C@H]3CCOC3)cc2)c1 96416779 YGSZTLGTIKWFKQ-QFXLTXBMSA-N 334.375 3.378 30 40 EGEB Cc1cc(/C=C/C(=O)c2cc(C(=O)O)ccc2OC(C)C)n(C)n1 585136116 QWHMZFBLCMJAML-VOTSOKGWSA-N 328.368 3.110 30 40 EGEB CC(C)c1noc(CCCC(=O)[C@H](C#N)c2nc3ccccc3[nH]2)n1 48813604 VTFCQZDWPZEBCO-LBPRGKRZSA-N 337.383 3.268 30 40 EGEB CCn1c(C(=O)[C@@H](C#N)C(=O)Nc2ccccn2)cc2ccccc21 103717449 RBKGAQWMVWUBDE-CQSZACIVSA-N 332.363 3.017 30 40 EGEB COc1cc(/C=N/NC(=S)Nc2c(C)cccc2C)ccc1O 3271628 AMZQJZMPBMWFKS-VCHYOVAHSA-N 329.425 3.338 30 40 EGEB CCOC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1 5256985 HNGLUPZNKWOGNW-VBKFSLOCSA-N 325.320 3.424 30 40 EGEB CC1=CC(=O)/C(=C2/C[C@H](c3ccccc3)N(c3ccccc3)N2)C(=O)O1 102449416 SUZWDMGEXPKBQD-GMQRBVGNSA-N 346.386 3.426 30 40 EGEB CCc1cccc(NC(=O)C2CCN(c3ccc(C#N)cn3)CC2)c1 23994718 SVGCNYRKRYCTQV-UHFFFAOYSA-N 334.423 3.371 30 40 EGEB Cc1nc([C@@H]2CCCN2Cc2cc(Cl)ccc2OCC#N)no1 76016943 ARSLWLFEMJFFNC-AWEZNQCLSA-N 332.791 3.271 30 40 EGEB CC(C)n1cnnc1S[C@@H](C)C(=O)N(C)C1(C#N)CCCCC1 12982599 GAYYYMVMGKVYND-ZDUSSCGKSA-N 335.477 3.024 30 40 EGEB N#CCC[C@H](C#N)CSc1nnc(N2CCCCC2)n1C1CC1 69520448 BDMNCFDJLMQLBZ-CYBMUJFWSA-N 330.461 3.139 30 40 EGEB Cc1nnc(NC[C@@H](O)c2cccc(C(F)(F)F)c2)c(C#N)c1C 69697529 YSBPPQUEJLADKY-CQSZACIVSA-N 336.317 3.129 30 40 EGEB N#CCn1c(CSc2ccccc2F)nc2ccccc2c1=O 6404667 DQOKZZQKDSIGKK-UHFFFAOYSA-N 325.368 3.351 30 40 EGEB C=CCn1cnnc1SCC(=O)Nc1c(C)cc(C)cc1Cl 5822579 GLBYNYJBHLWYHB-UHFFFAOYSA-N 336.848 3.465 30 40 EGEB C[C@H]1C[C@H]1/C(O)=N/S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 71883902 OVKUIJLNPORBGS-POYBYMJQSA-N 325.283 3.146 30 40 EGEB C[C@@H](/N=C(\NCc1ccccn1)NC[C@H]1CCCO1)c1cccs1 84661305 JURRRJOGJJOLFG-GDBMZVCRSA-N 344.484 3.119 30 40 EGEB CCOc1ccccc1C(=O)N[C@@H](C#N)c1cnn(-c2ccccc2)c1 95444461 OPHQOGZWTVXBTC-SFHVURJKSA-N 346.390 3.266 30 40 EGEB Cc1nc(C(=O)N[C@H]2CCCOc3cc(F)ccc32)ccc1C#N 95464381 CJHOKZIMXUYWEB-HNNXBMFYSA-N 325.343 3.045 30 40 EGEB C=CCn1c(SC[C@@H](C)N(C)C)nc2cc(Cl)ccc2c1=O 95941639 NPXBDNFJDRHPAT-LLVKDONJSA-N 337.876 3.278 30 40 EGEB C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2ccc(Cl)s2)C1=O 39570141 MDIOTYSOMRBLEA-INIZCTEOSA-N 345.811 3.240 30 40 EGEB COc1cc(/C=N/NCc2ccc(Cl)cc2)cc([N+](=O)[O-])c1O 37142994 NKWZXIQRKIDVPJ-GIJQJNRQSA-N 335.747 3.086 30 40 EGEB C=CCN(c1ccccc1C(=O)OCC)S(=O)(=O)c1ccccc1 224664753 ZJTNTFVUJOWENW-UHFFFAOYSA-N 345.420 3.245 30 40 EGEB CN(C(=O)c1cnccc1C#N)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C 580387475 NPILMZPVPBTHJX-QZTJIDSGSA-N 335.407 3.271 30 40 EGEB CC(=O)N1CCC(C(=O)O[C@H](C)CCCC#C[Si](C)(C)C)CC1 585135751 ABGHPUUGWOJZKE-OAHLLOKOSA-N 337.536 3.228 30 40 EGEB N#CCCN(CC1CCC1)C(=O)c1ccc(Br)c(O)c1 95979048 WMQQXGMKRMMUQB-UHFFFAOYSA-N 337.217 3.311 30 40 EGEB O=C(CO/N=C/c1ccccc1)Nc1c(F)c(F)c(F)c(F)c1F 3217892 GLTFPNMEONMXCJ-AERZKKPOSA-N 344.239 3.371 30 40 EGEB C[C@H]1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)c2C#N)C1 5920817 HPOIRISOGRLPBD-UHTWSYAYSA-N 344.436 3.350 30 40 EGEB C[C@]1(CCc2ccccc2)NC(=O)N(Cc2ccc(C#N)cc2)C1=O 4288722 NYPSQOPHVGSMER-HXUWFJFHSA-N 333.391 3.002 30 40 EGEB N#Cc1cccc(C(=O)N(Cc2cccs2)C[C@H]2CCCO2)c1 40473063 PPSABWLUVMAZTN-MRXNPFEDSA-N 326.421 3.441 30 40 EGEB Cc1ccc2c(c1)/C(=N\O)C(=O)N2CCOc1ccc(Cl)cc1 100756128 QIMLDTUJABBECA-KNTRCKAVSA-N 330.771 3.252 30 40 EGEB COc1ccc(Cl)cc1/C(N)=N/OC(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2 6846734 GRGFNMNUSPLRPH-TUAOUCFPSA-N 336.819 3.338 30 40 EGEB O/N=C1/[C@H]2CC[C@@H](C2)[C@H]1N1CCC(O)(c2ccc(Cl)cc2)CC1 100965312 JJFZNGPATRNWJU-XKZUHXRJSA-N 334.847 3.252 30 40 EGEB C#CCNCc1cn(Cc2ccccc2)nc1-c1ccc(OC)cc1 23818782 OOVLQKNMSFCBCT-UHFFFAOYSA-N 331.419 3.330 30 40 EGEB C[C@H](Oc1ccccc1Cl)C(=O)N(CCC#N)Cc1cccnc1 69388925 AJBPHLPQGKSKFW-AWEZNQCLSA-N 343.814 3.445 30 40 EGEB C[C@@H]1CN(Cc2ccc(CNCc3ccc(C#N)cc3)cc2)C[C@@H](C)O1 48710002 YVYMFYUFTIMUJE-QZTJIDSGSA-N 349.478 3.457 30 40 EGEB C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)COc1cccc(C#N)c1 8391725 PDEIKLHXXARATL-NSHDSACASA-N 326.318 3.126 30 40 EGEB COCCc1noc(CON=C2c3ccccc3-c3ccccc32)n1 78805654 DEZFGVWTPKGFIE-UHFFFAOYSA-N 335.363 3.208 30 40 EGEB N#Cc1c(N)nc2c(c1N)[C@H](c1ccccc1)c1ccc(O)cc1O2 19933179 XMRBLOXLWFQYBB-OAHLLOKOSA-N 330.347 3.109 30 40 EGEB CC(C)N(C)c1nc(N)c(C#N)c([C@@H](C#N)Cc2ccccc2)c1C#N 84597175 NPQQRYXRUAFTLP-OAHLLOKOSA-N 344.422 3.102 30 40 EGEB CCOc1ccc(C#N)cc1NC(=O)N[C@@H](C)c1c(C)noc1C 95397040 RNZYCNFMQUTKPA-JTQLQIEISA-N 328.372 3.445 30 40 EGEB C/C(O)=N/S(=O)(=O)c1cccnc1Nc1ccc(Cl)cc1 95545385 ILXQIIKTWWXIPM-UHFFFAOYSA-N 325.777 3.144 30 40 EGEB C=CCN1C(=O)S/C(=C/c2cc(Br)ccc2O)C1=O 409104277 HDUGVQHZCUAOBH-YRNVUSSQSA-N 340.198 3.377 30 40 EGEB CC(C)(C)c1n[nH]cc1/C=C/C(=O)c1ccc(N2CCOCC2)cc1 60529019 JDZASLYIUDNFGY-RMKNXTFCSA-N 339.439 3.440 30 40 EGEB Cn1nc(C(=O)NC2(c3ccc(C#N)cc3)CCC2)c2ccccc21 529511568 FFYLLFGMCOPPQB-UHFFFAOYSA-N 330.391 3.254 30 40 EGEB N#Cc1cccc(CN2CCc3ncnc(-c4ccncc4)c3CC2)c1 96187631 XOMMGOQSYXZOGZ-UHFFFAOYSA-N 341.418 3.011 30 40 EGEB C=CCOCc1cncc2c1CCN(C(=O)CCc1ccccc1)C2 253375451 PVYDUOJXDMJBEY-UHFFFAOYSA-N 336.435 3.302 30 40 EGEB N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC[C@@H](O)C2)cc1 71883206 FKWPAAJWSNVWNR-CQSZACIVSA-N 340.354 3.087 30 40 EGEB CCn1c([C@@H](C)NC(=O)COc2ccccc2C#N)nc2ccccc21 68174285 VKBFGQBUXBUXRJ-CQSZACIVSA-N 348.406 3.184 30 40 EGEB C=CCn1/c(=N/C(=O)CSC(C)=O)sc2cc(Cl)ccc21 4231730 QZXPDAPOMOUDLO-PEZBUJJGSA-N 340.857 3.249 30 40 EGEB N#Cc1cc(F)c(N2CCN(C(=O)c3ccccc3)CC2)cc1Cl 4575199 UHZAMJORODEKFZ-UHFFFAOYSA-N 343.789 3.313 30 40 EGEB Cc1ccc(Cn2cccc(C(=O)Nc3ccccc3C#N)c2=O)cc1 4940383 ZUADQJPYBQAZPE-UHFFFAOYSA-N 343.386 3.329 30 40 EGEB C=CCOc1ccc(/C=C2\SC(=N)NC2=O)cc1Br 103465050 BVEZZGRFKCLZHE-XFFZJAGNSA-N 339.214 3.153 30 40 EGEB C=C(Br)CN1CCC[C@H](c2nnc3n2CCCCC3)C1 57753710 KZVUPAHTSLFSQQ-ZDUSSCGKSA-N 339.281 3.093 30 40 EGEB COc1ccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)cn1 48166024 PQTAXDHCGUQADQ-UHFFFAOYSA-N 349.346 3.386 30 40 EGEB Cc1ccc(S(=O)(=O)N/N=C/C2=Cc3ccccc3O[C@H]2C)cc1 2398984 RRZYNYDKSPBTTK-BXUJETTOSA-N 342.420 3.124 30 40 EGEB COc1ccc(/C=N/O[C@H](C)C(=O)NC2CCCCCC2)cc1OC 12811669 MHCQFAIVWJZASS-GNUZOCDUSA-N 348.443 3.282 30 40 EGEB N#CCCn1cc(C(=O)Nc2nccs2)c(-c2ccc(F)cc2)n1 4516907 CZFDSYCNGBVKIL-UHFFFAOYSA-N 341.371 3.312 30 40 EGEB C=CCN(CC=C)C(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 28492347 SJEMFOZNDZRAIV-UHFFFAOYSA-N 346.386 3.301 30 40 EGEB Cc1cc(S(=O)(=O)N(CCC#N)c2ccccc2)ccc1[N+](=O)[O-] 71908799 SEEMQMZVFILAHT-UHFFFAOYSA-N 345.380 3.012 30 40 EGEB C[C@@H](C(=O)[C@H](C#N)c1nc2ccccc2[nH]1)n1cnc2ccccc21 95350004 FSEVVYIUJCCCAL-STQMWFEESA-N 329.363 3.350 30 40 EGEB CN(C(=O)COC(=O)c1cc2ccccc2[nH]1)C1(C#N)CCCCC1 5532623 QBPASEPNDIRBPW-UHFFFAOYSA-N 339.395 3.010 30 40 EGEB Cc1cccc2cc(C#N)c(NCCNC(=O)c3ccc(F)cc3)nc12 35289182 IBANDXYCQDTBKT-UHFFFAOYSA-N 348.381 3.396 30 40 EGEB COc1ccccc1OCc1nc(SC(C)C)nc(N)c1C#N 223690290 DCWYGWXZNZFWJW-UHFFFAOYSA-N 330.413 3.019 30 40 EGEB CN(CC#CCNC(=O)c1nc2ccccc2s1)Cc1ccccc1 75165144 OOTTUULXEBOIFY-UHFFFAOYSA-N 349.459 3.162 30 40 EGEB Cc1ccc(S(=O)(=O)/N=C(\O)[C@H]2C[C@H]2c2ccco2)cc1N(C)C 96475772 AZEMSEPEEOSNRW-KGLIPLIRSA-N 348.424 3.103 30 40 EGEB CN(/C(N)=N/Cc1nc2c(s1)C[C@@H](c1ccccc1)CC2)C1CC1 252482899 DPYPKAJQBJSOLY-AWEZNQCLSA-N 340.496 3.325 30 40 EGEB CSc1nccn1-c1cccc(C(=O)[C@@H](C#N)c2ccccn2)c1 49458788 QMTSDNVDLVXHHC-HNNXBMFYSA-N 334.404 3.479 30 40 EGEB N#Cc1ccccc1CN1CCC(c2nnc(C(F)(F)F)o2)CC1 75165320 PZICQTYKRIPDFY-UHFFFAOYSA-N 336.317 3.340 30 40 EGEB CC(=O)Nc1cc[n+](CC(=O)c2ccc(-c3ccccc3)cc2)cc1 4950117 OSYRLHWSVJFNBB-UHFFFAOYSA-O 331.395 3.482 30 40 EGEB N#Cc1ccc(OCCOC(=O)Cc2coc(-c3ccccc3)n2)cc1 32837705 AXBUWMKQWPLFKY-UHFFFAOYSA-N 348.358 3.378 30 40 EGEB COc1cccc(C(=O)O/N=C2/C[C@H](C)Oc3cc(OC)ccc32)c1 10001011 JWNJAJPGTPGWRR-SJKAGUJJSA-N 341.363 3.436 30 40 EGEB COc1ccc(-c2nc(COc3ccc(C#N)cc3OC)no2)cc1 23945119 ZTDYYTFHVHOMFZ-UHFFFAOYSA-N 337.335 3.204 30 40 EGEB C=CCn1c(S)nnc1-c1sc(NC(=O)c2ccoc2)nc1C 13008550 PLTDEUKCWUGBOC-UHFFFAOYSA-N 347.425 3.030 30 40 EGEB N#Cc1nccnc1Sc1nnc(NCc2ccc(F)cc2)s1 69380444 KXKLZFKQZOZMAT-UHFFFAOYSA-N 344.400 3.102 30 40 EGEB O=S(=O)(NN=C1CCCCC1)c1ccc(Br)cc1 6333351 DTIKEOYQTYMYGH-UHFFFAOYSA-N 331.235 3.048 30 40 EGEB C=CCNC(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 65594316 GFONJBJHVMVUKA-CYBMUJFWSA-N 346.818 3.465 30 40 EGEB Cc1sc2ncnc(N/N=C/c3ccc(C(=O)O)cc3)c2c1C 6509314 ULAILGCWOSGHSI-FBCYGCLPSA-N 326.381 3.452 30 40 EGEB C=CCOc1cccc(/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)c1 7333709 HVQYPBJTKQMHLC-SOFGYWHQSA-N 335.359 3.478 30 40 EGEB C=CCCO[C@@H](C)C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 68140839 NCGHKLGHYCRKHP-LBPRGKRZSA-N 349.818 3.030 30 40 EGEB C[C@@H](Sc1nc2ccccc2n1C)C(=O)NC1(C#N)CCCCC1 9115015 LYNDRVUTTCJVTB-CYBMUJFWSA-N 342.468 3.397 30 40 EGEB C=C(C)CN(CC)C(=O)[C@H](C)Sc1nnc(-c2ccncc2)o1 97055106 BYPHNSXEGODTLN-LBPRGKRZSA-N 332.429 3.037 30 40 EGEB C#CCOc1ccc(NC(=O)N(C)Cc2ncc(CC)s2)cc1 96447164 AAWWOQMLFPIVKF-UHFFFAOYSA-N 329.425 3.381 30 40 EGEB CC[C@@H](Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)C(N)=O 71902666 UEGUQSRRDXIZPM-OAHLLOKOSA-N 325.368 3.035 30 40 EGEB CC1(C)[C@H]2OCC[C@@H]2[C@H]1Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 78302863 YAQFDPSUBLSYFB-JLZZUVOBSA-N 338.367 3.240 30 40 EGEB N#Cc1ccc(N2CCC(c3cc(-c4ccncc4)[nH]n3)CC2)nc1 521395114 LCHKYQIXSKBHCG-UHFFFAOYSA-N 330.395 3.122 30 40 EGEB Cc1cnc([C@H](NC(=O)NCc2cccc(C#N)c2)C2CC2)s1 96439207 YCEVPLALBKGHPJ-OAHLLOKOSA-N 326.425 3.274 30 40 EGEB C=CCO[C@H]1CC[C@H]2[C@@H]1OCCN2C(=O)c1oc2ccccc2c1C 96041358 IQUQRKCQIIPSMA-IEZWGBDMSA-N 341.407 3.316 30 40 EGEB Cc1nc(C(=O)N2CCO[C@@H](c3ccccc3Cl)C2)ccc1C#N 69847304 TURZYGUWTRPNOP-QGZVFWFLSA-N 341.798 3.129 30 40 EGEB Cc1cccc(-c2n[nH]c(SCC(=O)Nc3ccc(C#N)cc3)n2)c1 19927555 YRMQOIAXZUVAKP-UHFFFAOYSA-N 349.419 3.383 30 40 EGEB CCOc1ccc(C(=O)N(C)Cc2ccc(C#N)cc2)cc1[N+](=O)[O-] 25116605 KJLQEVKOBNEQPG-UHFFFAOYSA-N 339.351 3.137 30 40 EGEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N[C@H]2c2ccccc2Cl)cc1 104144309 ZTXARSUSXOJXSK-IDTYTIONSA-N 327.767 3.358 30 40 EGEB N#CC(C#N)=c1ccc2c(c1)N1C3=C(CCCC3)C[C@@H]3CCCC[C@]31N=2 494032 JFTMWZCGZPOWHG-PGRDOPGGSA-N 342.446 3.442 30 40 EGEB COc1cccc(CC(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)c1 103504454 IIBRDUVJLJIDEO-AWEZNQCLSA-N 342.782 3.239 30 40 EGEB C[C@@H](NC(=O)COc1ccc(C#N)cc1)c1ccc(-n2ccnc2)cc1 12550952 YRIHVTZTNBKBIN-OAHLLOKOSA-N 346.390 3.000 30 40 EGEB N#Cc1ccc(N2CCCN(Cc3nc4ccccc4o3)CC2)cc1 44975345 PIIVTBFXABNLJQ-UHFFFAOYSA-N 332.407 3.412 30 40 EGEB CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1nnc(C2CC2)n1C1CC1 12931079 CVWUXSCFEZPZMG-PIGZYNQJSA-N 347.488 3.025 30 40 EGEB O=c1[nH]c(N/N=C/c2cccc(Br)c2)nc2ccccc12 4017791 DIQISAJUSLFXAB-RQZCQDPDSA-N 343.184 3.132 30 40 EGEB Cc1ccc(-n2nnnc2SCC(=O)c2ccc(C#N)cc2)c(C)c1 14198429 DATOZEJVKQSIGL-UHFFFAOYSA-N 349.419 3.126 30 40 EGEB N#Cc1cccc(C(=O)Nc2nc(-c3ccc4ccccc4n3)n[nH]2)c1 69565400 BRNQVPVBRCLFMQ-UHFFFAOYSA-N 340.346 3.144 30 40 EGEB Cc1ccc(-n2cc(C(=O)c3cc(F)ccc3O)cc(C#N)c2=O)cc1 6788691 QAXSVBDGLPOILH-UHFFFAOYSA-N 348.333 3.093 30 40 EGEB Cc1cc(C)c(C#N)c(SCc2cc(=O)n3c(C)cccc3n2)n1 6983476 WGLNGNDOJQQUOE-UHFFFAOYSA-N 336.420 3.179 30 40 EGEB COCc1nccc([C@@H]2CCCN(Cc3ccc(C#N)cc3F)C2)n1 89420461 LGJBUSJOEUUJPV-MRXNPFEDSA-N 340.402 3.013 30 40 EGEB CC[C@H](C)Oc1cccc(C=Nn2c(O)nc3ccccc3c2=O)c1 409355634 DGHJLEWZUZMRLC-ZDUSSCGKSA-N 337.379 3.162 30 40 EGEB N#Cc1ccc(OC2CCN(C(=O)CC3(O)CCCCC3)CC2)cc1 81348565 UVUPNMIIVMLOBY-UHFFFAOYSA-N 342.439 3.013 30 40 EGEB N#Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCCO[C@H]1c1ccccc1 299226146 JCCOTOPBSHPPFN-YOEHRIQHSA-N 338.367 3.441 30 40 EGEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCO[C@@H]2CCCC[C@@H]21 40553897 VLWCUMZUKGLFLP-JKSUJKDBSA-N 339.395 3.034 30 40 EGEB N#CCSc1ccccc1NC(=O)CN1C[C@@H]2CC=CC[C@H]2C1 76040430 AQIVBTWUEHTBJH-GJZGRUSLSA-N 327.453 3.139 30 40 EGEB CCCCCCCCCCCNC(=O)[C@@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)O 102182873 ZTMVRTJMXOQSMD-NXOAAHMSSA-N 337.460 3.288 30 40 EGEB COc1ccc(NC(=O)[C@@H](C#N)Cc2ccc(OC)cc2OC)cc1 57523319 NQPJZAANKPHOPR-CQSZACIVSA-N 340.379 3.033 30 40 EGEB COc1cc(C(=O)/C=C/c2cccc(C)c2)ccc1S(C)(=O)=O 57809911 JOVCKNYSDUQPFE-VQHVLOKHSA-N 330.405 3.303 30 40 EGEB CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(C#N)cn2)C12CCCCC2 78874897 OGILDBZXZYVWPH-IAGOWNOFSA-N 327.428 3.153 30 40 EGEB COc1cc(C(=O)Nc2sc(C)c(C)c2C#N)cc2c1OCCO2 58289250 FOTRLBQCRPGIFE-UHFFFAOYSA-N 344.392 3.269 30 40 EGEB CC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)c(C#N)c2)c1 10514825 OBSUCHMDOTUHGH-UHFFFAOYSA-N 334.784 3.215 30 40 EGEB COc1cc(C#N)ccc1O[C@@H](C(=O)N1CCCC1)c1ccccc1 5505910 WPEDJEPXACCXOM-LJQANCHMSA-N 336.391 3.309 30 40 EGEB Cc1ccc(-n2nc(C)c(/C=N/n3c(C)nnc3S)c2Cl)cc1 6713100 JEOLTHPUTVBPRV-CAOOACKPSA-N 346.847 3.213 30 40 EGEB C=CCc1ccccc1OCc1cc(=O)n2nc(CC)sc2n1 20859037 ZGUZQTITXYUSAY-UHFFFAOYSA-N 327.409 3.021 30 40 EGEB COc1ccc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] 408594078 RYOQJRXSEZQPST-CXUHLZMHSA-N 331.284 3.062 30 40 EGEB C[C@H]1CN(c2snnc2/C=C/C(=O)c2ccccc2)C[C@@H](C)O1 16949770 WOHAKMRPKXRXBF-UVHIWXSVSA-N 329.425 3.048 30 40 EGEB N#C[C@H](NC(=O)C[C@@H]1CSCCS1)c1cccc(Cl)c1 95433627 XJFLDLQBTPBVHY-OLZOCXBDSA-N 326.874 3.260 30 40 EGEB N#CCN1CCN(C(=O)Nc2ccc(SC3CCCC3)cc2)CC1 1616037596 ARHBBFOOXYPTCC-UHFFFAOYSA-N 344.484 3.394 30 40 EGEB Cc1cc(C)n2nc(CCCNc3nc4ccccc4o3)c(C#N)c2n1 51999333 UKKZYYIFHMIOIX-UHFFFAOYSA-N 346.394 3.404 30 40 EGEB COc1cc(C#N)ccc1OCC(=O)N[C@@H](C)c1cc(C)oc1C 58202879 FODXHTXEQHKJEX-LBPRGKRZSA-N 328.368 3.033 30 40 EGEB CC(C)Oc1ccc(/C=N/CC[C@@]2(O)C[C@@H](C)N(C)C[C@H]2C)cc1 4815137 CLJGDQRPOPPOBX-HGIMSIGDSA-N 332.488 3.374 30 40 EGEB CCCNC(=O)c1c(/N=C\c2ccc(C(F)(F)F)cc2)cnn1C 2797936 CXJRXHDBIZOCIG-NKVSQWTQSA-N 338.333 3.329 30 40 EGEB COc1ccc(/C(C)=N/NS(=O)(=O)c2ccc(Cl)cc2)cc1 5895833 NFBLXZWMQPMMLP-GZTJUZNOSA-N 338.816 3.051 30 40 EGEB C=CCc1cc(C(=O)Nc2cccc(N(C)C)n2)cc(OC)c1OC 96006492 SIFXIODABFRWGK-UHFFFAOYSA-N 341.411 3.146 30 40 EGEB C[C@](O)(CC(=O)N[C@H](C#N)c1cccc(Cl)c1)c1ccccc1 97059252 KAFCZLOYXOLNSE-AEFFLSMTSA-N 328.799 3.319 30 40 EGEB CC(=O)c1s/c(=N/N=C\c2ccccc2Br)[nH]c1C 32653926 JAHOSFZLDCWNFD-CHHVJCJISA-N 338.230 3.285 30 40 EGEB C=CCn1c2cc(C)sc2c2cnn([C@H](C)C(=O)OCC)c(=O)c21 72334535 CPRBUSKQECGFIW-LLVKDONJSA-N 345.424 3.031 30 40 EGEB CCN(CC)C(=O)CCC1CCN(c2c(C#N)cccc2C#N)CC1 195272876 BSBVYXAOZYXUNU-UHFFFAOYSA-N 338.455 3.295 30 40 EGEB COC(C)(C)CCOc1c(N)cc(C#N)n1Cc1ccccc1F 225878322 AAKODZZSEORKDS-UHFFFAOYSA-N 331.391 3.323 30 40 EGEB Cc1ccccc1-n1nc(C#N)c(N2CC[C@H](c3ccccc3)C2)n1 256045675 ALIAFWGEQCWSBE-KRWDZBQOSA-N 329.407 3.441 30 40 EGEB N#Cc1ccc(CN2CCN(c3nsc4ccccc34)CC2)cc1 1203901361 APJVLUBRMLJYOC-UHFFFAOYSA-N 334.448 3.490 30 40 EGEB Nn1cnnc1N/N=C\c1ccc(-c2cc(Cl)ccc2Cl)o1 16385234 BIVHZQJSRABFBE-FMQZQXMHSA-N 337.170 3.005 30 40 EGEB COc1ccc(OC)c(/C=C(\C)C(=O)c2c(C)cc(C)[nH]c2=O)c1 4631306 DEGQNUJPMQUWSC-FMIVXFBMSA-N 327.380 3.295 30 40 EGEB CC(C)c1noc([C@@H](C)N2CCCN(c3ccccc3C#N)CC2)n1 52801458 AIEBQVLOTSQQGN-OAHLLOKOSA-N 339.443 3.338 30 40 EGEB Cn1ccnc1[C@@H](NC(=O)Nc1ccc(C#N)cc1)c1ccccc1F 12535575 XNDQQFDCUKVHIO-KRWDZBQOSA-N 349.369 3.342 30 40 EGEB CN(C)CCN(Cc1ccc(C#N)cc1)/C(=N/C1CC1)c1ccco1 58049216 GFDMYSMGUMVBLH-LSDHQDQOSA-N 336.439 3.124 30 40 EGEB Cc1cc(NC(=O)c2csc(-c3ccccc3)n2)n(CCC#N)n1 58282640 BULJDXRLGSRBEP-UHFFFAOYSA-N 337.408 3.481 30 40 EGEB C=CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2CCCC 2312511 JQKWOUWHWOHAQO-UHFFFAOYSA-N 333.395 3.281 30 40 EGEB N#Cc1c(-c2ccc3c(c2)OCO3)c2c([nH]c1=O)-c1ccccc1OC2 36646259 IEVFKOZVGBBFDC-UHFFFAOYSA-N 344.326 3.202 30 40 EGEB C[C@H]1Cc2ccccc2N1CC(=O)Nc1sc2c(c1C#N)CCC2 3432954 BBEMVEIKRJPHHO-LBPRGKRZSA-N 337.448 3.498 30 40 EGEB CN(C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)C1(C#N)CCC1 66322652 ZPSVDRUZNAECEH-ZDUSSCGKSA-N 349.843 3.048 30 40 EGEB N#Cc1cc(NC(=O)C2CCN(CC(F)(F)F)CC2)ccc1Cl 71902846 NTRZXAHSWVXHHR-UHFFFAOYSA-N 345.752 3.424 30 40 EGEB C=CCN(CCc1ccco1)CC(=O)Nc1nnc(CCCC)s1 95995488 FJRFQUUGUOPDFN-UHFFFAOYSA-N 348.472 3.143 30 40 EGEB COc1ccc(NC(=O)N(C)[C@H](C)CC#N)c(Br)c1 86285421 QXEDPZDUHIQACD-SECBINFHSA-N 326.194 3.224 30 40 EGEB CCOC(=O)c1nn(-c2ccccc2)cc1/C=N/c1ccccc1N 71195292 DDTAJHYUEKOVRP-CIAFOILYSA-N 334.379 3.382 30 40 EGEB C[C@@H](NCCOc1ccccc1C#N)c1ccc2c(c1)CCC(=O)N2 96491057 WWNVGVZZDXIMRT-CQSZACIVSA-N 335.407 3.173 30 40 EGEB N/C(CCc1ccccc1)=N/OCc1cc(Cl)c2c(c1)OCO2 95377707 SSRHFZDRGKYYQD-UHFFFAOYSA-N 332.787 3.490 30 40 EGEB C=C(Cl)CN(C(=O)OC(C)(C)C)N1C(=O)c2ccccc2C1=O 1740818989 RFEHDZMWSUJXIY-UHFFFAOYSA-N 336.775 3.187 30 40 EGEB N#CCOc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 5728912 OPRZZEZZUDBZID-UHFFFAOYSA-N 337.404 3.433 30 40 EGEB O=C1[C@H]2[C@@H]3C=C[C@H](CC3)[C@@H]2C(=O)N1/N=C/c1c(O)ccc2ccccc12 169305724 FGSNUPZWVPHNII-WBJUMAMISA-N 346.386 3.077 30 40 EGEB Cc1cc(OC[C@@H]2CCCN(C(=O)c3cccc(C#N)c3)C2)ccn1 1775970799 CUQNNQAFJYVCKF-QGZVFWFLSA-N 335.407 3.193 30 40 EGEB CC(C)(C)NC[C@@H](O)COc1cc(Cl)ccc1C1=CC(=O)CC1 255 QACGCDWSRFDWQO-OAHLLOKOSA-N 337.847 3.214 30 40 EGEB in-man COc1ccc([C@H]2CC(=O)OC3=C2C(=O)c2ccccc2C3=O)cc1 20763682 REMSPDLOLHDHGA-OAHLLOKOSA-N 334.327 3.059 30 40 EGEB biogenic C#CCOc1ccc(C[C@@H]2SC(=O)N(CCC)C2=O)cc1OCC 6879236 JYNJDRPNPRSYAK-INIZCTEOSA-N 347.436 3.114 30 40 EGEB O=C1C2=C(c3ccccc31)[C@@H](c1ccccc1Cl)NC(=S)N2 8653509 KPERLSFMBAVGPA-CQSZACIVSA-N 326.808 3.466 30 40 EGEB COc1ccc([C@H]2CCCN2CC(=O)Nc2sccc2C#N)cc1 25415071 GLWWSCIYEHVQPB-MRXNPFEDSA-N 341.436 3.404 30 40 EGEB C=CCN1C(=O)c2ccccc2N[C@H]1c1c[nH]nc1-c1cccnc1 11034581 XWRQCXMDSVCHCW-GOSISDBHSA-N 331.379 3.224 30 40 EGEB Cn1ncc2c(C(=O)Nc3ccc(CC#N)cc3)cc(C3CC3)nc21 36616325 XCWYSKDHVYEUSO-UHFFFAOYSA-N 331.379 3.164 30 40 EGEB CCN(C[C@H](C)C#N)C(=O)c1ccc(OC)c(Br)c1 38068504 NLOFKMBCGUAQCG-SNVBAGLBSA-N 325.206 3.079 30 40 EGEB CCc1cc[n+](CC(=O)Nc2ccc(C)cc2Br)cc1 13135264 NIYZYOCOTBKKGP-UHFFFAOYSA-O 334.237 3.246 30 40 EGEB C[C@H]1C[C@H]1c1ccc(/C=C2\C(=O)c3ccccc3S(=O)(=O)N2C)o1 13655852 WTSMIYHHQIFZKW-NGLQBVDKSA-N 343.404 3.261 30 40 EGEB CN(C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)C1(C#N)CCC1 66322650 ZPSVDRUZNAECEH-CYBMUJFWSA-N 349.843 3.048 30 40 EGEB COc1ccccc1N/C(N)=N/Cc1ccc(N2CCCCC2)nc1 70009407 HIVMUTZEUYUADU-UHFFFAOYSA-N 339.443 3.007 30 40 EGEB Cc1ccc(C(=O)/C(=C(/S)NC2CC2)[n+]2ccccc2)cc1C 6815050 KZRWOCXSQZGSIN-UHFFFAOYSA-O 325.457 3.282 30 40 EGEB COc1cc2c(cc1OC)CN(CCOc1ccc(C#N)cc1)CC2 15293878 RBKIBEHDBDNABS-UHFFFAOYSA-N 338.407 3.013 30 40 EGEB Cc1ccc(NC(=O)C[C@H]2S/C(=N\N=C\C(C)C)N=C2O)cc1 18093472 BTVGLOVJIPHZAD-LFMVTYOGSA-N 332.429 3.393 30 40 EGEB N#Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc1 9156024 UAOFXOQZQYZNOE-VQIMIIECSA-N 333.391 3.304 30 40 EGEB N#Cc1cccc(C(=O)N2CCN(c3ccc4ccccc4n3)CC2)c1 72280056 ZZGNQYWPTQPFJV-UHFFFAOYSA-N 342.402 3.069 30 40 EGEB CC(C)(C)c1coc([C@@H]2COCCN2Cc2cccc(C#N)c2)n1 72322183 FJSCPXBNQZVMEM-INIZCTEOSA-N 325.412 3.417 30 40 EGEB biogenic,in-vitro COC(=O)[C@H](Nc1cccc(Cn2cccn2)c1)c1cccc(C#N)c1 83030105 BNNINZZRVHMMQR-LJQANCHMSA-N 346.390 3.129 30 40 EGEB C#CCN(Cn1nc(C)c2ccccc2c1=O)[C@@H]1CCc2ccccc21 54516459 YYGOIRYBXSBVIR-OAQYLSRUSA-N 343.430 3.285 30 40 EGEB COc1cc(/C=N\N=C/c2ccc(N(C)C)cc2)cc(OC)c1OC 17025267 PBGDGLSZMSSPQA-FDYZEBBJSA-N 341.411 3.231 30 40 EGEB CC(C)(C)c1nc2ccccc2n1C1CN(c2nccnc2C#N)C1 1889149209 KNCUVXKYWYMHEA-UHFFFAOYSA-N 332.411 3.057 30 40 EGEB CC(C)(C)C(=O)/C=C1\N[C@H]2CCCC[C@@H]2N\C1=C/C(=O)C(C)(C)C 12364913 PEMLPACMQJOXII-GDIQWMRCSA-N 332.488 3.489 30 40 EGEB O=C1CCCC2=C1[C@@H](c1cccs1)n1nc(C(F)(F)F)nc1N2 5240835 PHHYBAWQJWJJSY-LLVKDONJSA-N 340.330 3.380 30 40 EGEB C[C@@H]1C[C@@H](C)CN(Cc2ccc(CNC(=O)CSCC#N)cc2)C1 40541075 JFANLMXYYOTHGO-HZPDHXFCSA-N 345.512 3.037 30 40 EGEB CCc1ccc(CN(CC(=O)N[C@](C)(C#N)C(C)C)C2CC2)cc1 51737515 NAIGQJPTFRFFQK-HXUWFJFHSA-N 327.472 3.268 30 40 EGEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCCN(CC)CC)[C@H]3C[C@@H]12 22920501 OZLBETOWSCJFKV-WVXKDWSHSA-N 348.531 3.232 30 40 EGEB biogenic C#Cc1cccc(NC(=O)CN(C)C(=O)c2cc(Cl)ccc2F)c1 47194634 BZGYQAIHIISNFF-UHFFFAOYSA-N 344.773 3.171 30 40 EGEB N#Cc1ccc(C(=O)Nc2ccc(Cn3ccccc3=O)cc2)cc1 42701082 SLYXQMMAOIMGJI-UHFFFAOYSA-N 329.359 3.021 30 40 EGEB N#Cc1c(CN2CCN(c3ccc(F)cc3)CC2)cn2ccccc12 57383142 WTUQMBQXZNNCJG-UHFFFAOYSA-N 334.398 3.272 30 40 EGEB C#CCNC(=O)[C@@H](C)Sc1nnc(-c2ccccc2)n1[C@H](C)CC 58197172 LWYYGXMVVOULPX-ZIAGYGMSSA-N 342.468 3.146 30 40 EGEB C#CCOc1ccc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc1 2179421 AVAJIZKOIHMOCE-CPNJWEJPSA-N 346.386 3.100 30 40 EGEB CC(C)Oc1ccc(C#N)cc1NC(=O)NCc1ccccc1CO 69036994 ZTSJPACACFEARS-UHFFFAOYSA-N 339.395 3.159 30 40 EGEB Cc1noc2nc(-c3ccccc3)cc(C(=O)N[C@H](C#N)C3CC3)c12 69896510 WLVCQGPWLSCSJK-MRXNPFEDSA-N 332.363 3.230 30 40 EGEB CO/N=C1/c2ccccc2-c2[nH]nc(-c3ccc(OC)c(OC)c3)c21 5210920 WUDHUMMKFFHXSC-QOCHGBHMSA-N 335.363 3.473 30 40 EGEB N#Cc1cnc(NCc2cccc(C(=O)N3CCCC3)c2)c(Cl)c1 65565069 CBARXMLVSJMSGV-UHFFFAOYSA-N 340.814 3.455 30 40 EGEB N#Cc1ccccc1S(=O)(=O)Nc1ccc(Br)cc1 5579519 NODZQTIVFGWQJG-UHFFFAOYSA-N 337.198 3.122 30 40 EGEB CN(Cc1c(F)cccc1Cl)C(=O)COc1ccccc1C#N 8485289 JYTDSTKPBSKVTH-UHFFFAOYSA-N 332.762 3.388 30 40 EGEB N#Cc1ccccc1Oc1ccc(C(=O)Nc2nc[nH]n2)cc1Cl 90367654 PINKWZQRDUHCLE-UHFFFAOYSA-N 339.742 3.374 30 40 EGEB Cc1cc(S(=O)(=O)/N=C(\O)Cc2cccc(F)c2F)c(C)o1 97035239 JRXCQPCCPWNPDD-UHFFFAOYSA-N 329.324 3.063 30 40 EGEB N#CC1(C#N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(Cl)c1 218338793 ODLSSQLBJPWCRF-HOTGVXAUSA-N 342.807 3.313 30 40 EGEB C[C@@H]1CCCN(CCCNC(=S)Nc2ccc(CC#N)cc2)C1 225736148 QLGYCFXHDCSUEK-OAHLLOKOSA-N 330.501 3.161 30 40 EGEB N#Cc1ccc(F)c(CN[C@@H](CN2CCCC2=O)c2ccccc2)c1 96490964 GLEZBJFWQILPRZ-IBGZPJMESA-N 337.398 3.151 30 40 EGEB Cc1ccc(S(=O)(=O)N/N=C/c2sc3ccccc3c2O)cc1 227555 OPGUMVZQQFUIGK-LICLKQGHSA-N 346.433 3.228 30 40 EGEB COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCCO3)cc1O 13096651 NAEGDTCHEWIKHM-ZZXKWVIFSA-N 326.348 3.458 30 40 EGEB Cc1ccc(-c2nnc(S)n2/N=C/c2ccc3c(c2)OCO3)cc1 5417070 LCXGCAMIKIESRY-GIJQJNRQSA-N 338.392 3.153 30 40 EGEB Cc1ccccc1NC(=O)[C@@H]1CCCN1/C=C/C(=O)C(F)(F)F 4119675 MEHHQQRKKPKTMC-FROQITRMSA-N 326.318 3.043 30 40 EGEB N#Cc1cccc(C(=O)N2CC[C@H](Oc3cccc4cccnc34)C2)c1 245026706 NHSMQVSSKCIYHA-SFHVURJKSA-N 343.386 3.400 30 40 EGEB N#Cc1nc(C2CC2)oc1N1CCN(Cc2cccc(Cl)c2)CC1 29225107 OQUNRHNDODFYJW-UHFFFAOYSA-N 342.830 3.399 30 40 EGEB Cc1cc(C)n(-c2ccc(NC(=O)CCc3ccc(C#N)cc3)cn2)n1 32914513 BLPDHEQCUOTHQU-UHFFFAOYSA-N 345.406 3.327 30 40 EGEB CC1(C)Cc2cccc(OCCNC(=O)c3cccc(C#N)c3)c2O1 24449298 OGXFWVHIYMBCIK-UHFFFAOYSA-N 336.391 3.081 30 40 EGEB NS(=O)(=O)c1ccc(CC/N=C/c2cccc3ccccc23)cc1 3166020 ATNXOIDYTZGKGJ-KGENOOAVSA-N 338.432 3.149 30 40 EGEB COc1ccc(NC(=S)N(CCC#N)Cc2cccnc2)cc1 3234270 TYIYJUCUDCXMSW-UHFFFAOYSA-N 326.425 3.203 30 40 EGEB Cc1ccc(S(=O)(=O)/N=C(\O)CCCc2csc(C)n2)s1 79023927 MXJSHPVMZBBMCH-UHFFFAOYSA-N 344.483 3.490 30 40 EGEB COC(=O)c1ccc(/C=N/NC(=S)Nc2c(C)cccc2C)cc1 3331846 TXOREIKZNRLZSB-YBFXNURJSA-N 341.436 3.411 30 40 EGEB N#Cc1cccc(CN2CCO[C@]3(CCCC[C@@H]3N3CCCC3)C2)c1 306143167 XUYPUQCZOKZNEQ-LEWJYISDSA-N 339.483 3.168 30 40 EGEB COc1cccc(/C=C2\S/C(=N\c3ccccc3O)NC2=O)c1 5661973 VEPCMXXGSQOYEO-GDNBJRDFSA-N 326.377 3.292 30 40 EGEB Cc1ccc(-c2nnc(SCC(=O)N[C@@](C)(C#N)C(C)C)o2)cc1 5863043 OSJFTLVGKBTNNQ-KRWDZBQOSA-N 344.440 3.192 30 40 EGEB COc1cccc(-c2nnc(SC[C@@H](C#N)CCC#N)n2C)c1 8924334 WKULVOZIXGHYFO-GFCCVEGCSA-N 327.413 3.026 30 40 EGEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccnc1 19798332 AUPNIRRJIDXNBS-GOSISDBHSA-N 340.423 3.393 30 40 EGEB CCOc1cc(C#N)ccc1OCC(=O)Nc1nc(C)c(C)s1 9315688 FYUYJUDBQCSOKO-UHFFFAOYSA-N 331.397 3.048 30 40 EGEB Cc1cccc(N(CCC#N)S(=O)(=O)c2cc(C#N)ccc2C)c1 71908108 KIABFLSBXBONBT-UHFFFAOYSA-N 339.420 3.284 30 40 EGEB COc1cc(OC)c(Cl)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2362801917 YAQXTIRKWGLBFX-UHFFFAOYSA-N 333.020 3.310 30 40 EGEB COc1ccc(NC(=O)[C@@H]2CCCN2Cc2ccccc2C#N)cc1 48365823 QMYKRQZWYHJZKU-IBGZPJMESA-N 335.407 3.170 30 40 EGEB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](C=O)[C@H]2c2ccc(Cl)cc2)cc1 242538755 JEMOGBHFOPSGNU-BRWVUGGUSA-N 334.824 3.403 30 40 EGEB COC[C@]1(C#N)[C@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 242649091 RUEZDNIUIFOANR-GUDVDZBRSA-N 341.432 3.091 30 40 EGEB N#Cc1ccc(C2(NCc3ccc4nc[nH]c4c3)CCOCC2)cc1 527810803 JYODUFNOWJMVJK-UHFFFAOYSA-N 332.407 3.230 30 40 EGEB N#Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CCCO[C@@H]1c1ccccc1 299226141 JCCOTOPBSHPPFN-RHSMWYFYSA-N 338.367 3.441 30 40 EGEB N#Cc1ccc(N2CCN(C(=O)c3cc4ccccc4s3)CC2)nc1 58201464 XFDNRTXKXLTXPL-UHFFFAOYSA-N 348.431 3.130 30 40 EGEB C[C@@](O)(C#C[C@@](O)(c1ccccc1)C(F)(F)F)c1cccc(F)c1 4334546 HHUJOCNZCDDYGB-IAGOWNOFSA-N 338.300 3.487 30 40 EGEB CCO[C@@H](CC)C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 103633222 UHWZWSFBPCMTGW-GWCFXTLKSA-N 343.210 3.456 30 40 EGEB C[C@@H]1C(C#N)(C#N)[C@]2(C#N)C(=N)O[C@@]1(C)O[C@@H]2c1ccccc1Cl 102683544 KSIJAWXPQCVRDP-KVQMYJSTSA-N 340.770 3.315 30 40 EGEB COc1ccc(CN(C)C(=O)CCc2ccc(C#N)cc2)cc1F 24616263 IHIMTVDLHKDXFF-UHFFFAOYSA-N 326.371 3.297 30 40 EGEB C=CCOc1cccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 24614012 VKSWGSKGAKBWQP-UHFFFAOYSA-N 348.380 3.269 30 40 EGEB CN(C(=O)COC(=O)c1ccc(Cl)s1)C1(C#N)CCCCC1 8389578 IQHQEWBMFUPXLO-UHFFFAOYSA-N 340.832 3.243 30 40 EGEB CN(Cc1ccc(Cl)s1)S(=O)(=O)Cc1ccc(C#N)cc1 14198026 AWAZYFICFMWXMH-UHFFFAOYSA-N 340.857 3.235 30 40 EGEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(O)cc1 4624620 HMCLRBHPZLXNEX-QGZVFWFLSA-N 347.370 3.134 30 40 EGEB C[C@H](Oc1ccc(C#N)cc1Cl)C(=O)NC(=O)Nc1ccccc1 8984937 CFYSOTMRHLZSRP-NSHDSACASA-N 343.770 3.327 30 40 EGEB CN(CCCNC(=O)c1c(F)cc(C#N)cc1F)c1ccccc1 89340346 LMBJAGQAOQWLFS-UHFFFAOYSA-N 329.350 3.093 30 40 EGEB COc1cc(/C=N/NCc2ccccc2Cl)cc([N+](=O)[O-])c1O 42646805 FZYKQURTZJJDDX-CAOOACKPSA-N 335.747 3.086 30 40 EGEB C[C@H]1C[C@H]1[C@H](NS(=O)(=O)CCCC#N)c1ccc(Cl)cc1 96428567 FMHNQUUBOSAELJ-NILFDRSVSA-N 326.849 3.260 30 40 EGEB C=CCOC[C@@H]1c2nnn(CC3CC3)c2CCN1Cc1cccs1 96060584 DLPBUZLCJYXLGC-QGZVFWFLSA-N 344.484 3.052 30 40 EGEB Cc1cc(Cl)c2ncc(C#N)c(N3CC[S@@](=O)C[C@@H](C)C3)c2c1 252552596 UXTBSJQBBVKRFQ-DAOPMYJZSA-N 347.871 3.273 30 40 EGEB N#Cc1cncc(Nc2cnn(Cc3cc(F)ccc3Cl)c2)n1 1640060485 AGVOBAYRLOYUNS-UHFFFAOYSA-N 328.738 3.129 30 40 EGEB CC(C)(C)c1ccc(NC(=O)CO/N=C(\N)c2cccs2)cc1 50512706 BLONKXJWQABHQJ-UHFFFAOYSA-N 331.441 3.321 30 40 EGEB N#Cc1cccnc1N1CCN(CCSc2ccccc2F)CC1 70040450 OJQCXBGGXJBAEY-UHFFFAOYSA-N 342.443 3.007 30 40 EGEB CN(C)/C=C(/C(=O)c1ccccc1Cl)S(=O)(=O)c1ccccc1 100254879 NNBVSADCLGJVRD-VBKFSLOCSA-N 349.839 3.400 30 40 EGEB N/C(=N/C1CCCC1)SCC(=O)N1CCC[C@H]1c1cccs1 29474209 DPHHGVAULRCRAG-ZDUSSCGKSA-N 337.514 3.402 30 40 EGEB Cc1cc(=O)oc2cc(OCc3ccc(C(=O)OCC#N)cc3)ccc12 3352622 UYGSRZAROLVGGD-UHFFFAOYSA-N 349.342 3.361 30 40 EGEB Cc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1[N+](=O)[O-] 409084663 PYRNPNIMYBPSKD-OVCLIPMQSA-N 345.271 3.166 30 40 EGEB CN1/C(=C\c2c[nH]c3ccccc23)C(=O)c2ccccc2S1(=O)=O 9048284 XSGRPNFQZWDRAQ-YBEGLDIGSA-N 338.388 3.026 30 40 EGEB N#C[C@H](C(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccc([N+](=O)[O-])cc1 71893864 LFAPMNDMHDFUQH-KRWDZBQOSA-N 349.346 3.433 30 40 EGEB O=[N+]([O-])c1ccc(O)c(/C=N/Nc2ncnc3c2oc2ccccc23)c1 35183190 GEGXQKPILJRFAI-DNTJNYDQSA-N 349.306 3.436 30 40 EGEB C#CCOc1cccc([C@@H]2CC(=O)Nc3nc(NCC)sc32)c1 35324928 OHDXQHFOELNNPP-ZDUSSCGKSA-N 327.409 3.061 30 40 EGEB COc1ccc(Cn2nc(Cc3ccc(C)cc3)c(C#N)c2N)cc1 225847848 WWXVTVJPCDZVNV-UHFFFAOYSA-N 332.407 3.293 30 40 EGEB N#CCCN(C(=O)c1ccc2ccc(Cl)cc2n1)C1CCOCC1 84189513 AUINSDNJMAIYGS-UHFFFAOYSA-N 343.814 3.423 30 40 EGEB N#C[C@@H](c1c(F)cccc1Cl)N1CCC[C@H](N2CCCC2=O)C1 96443342 OEOYPTGPOZSVPX-WFASDCNBSA-N 335.810 3.131 30 40 EGEB COc1ccc(S[C@@H](C)C(=O)Nc2cc(C)nn2CCC#N)cc1 58289214 CSZRWASPJWTDGW-ZDUSSCGKSA-N 344.440 3.233 30 40 EGEB Cc1nc2c(cnn2C(C)C)cc1C(=O)[C@@H](C#N)c1ccc(F)cn1 97047365 UEHIHZVFOJZPJG-HNNXBMFYSA-N 337.358 3.345 30 40 EGEB O=c1c2c3c(sc2ncn1/N=C/c1cccc(F)c1)CCCC3 429930 IQIBYWVQAJNQNS-AWQFTUOYSA-N 327.384 3.358 30 40 EGEB COC(=O)c1ccc(/C=C2/S/C(=N\c3ccccc3)NC2=O)cc1 5234142 VAHHBRXUTKATAF-RVDMUPIBSA-N 338.388 3.365 30 40 EGEB O=C1Nc2cc(Cl)ccc2N/C1=C\C(=O)c1cccc([N+](=O)[O-])c1 18128961 VCTRGXZBKDGEMB-ZSOIEALJSA-N 343.726 3.379 30 40 EGEB Cc1cccc(NC(=S)N/N=C/c2ccc3c(c2)OCCO3)c1 2628703 CEBUOEPUKWYNII-WOJGMQOQSA-N 327.409 3.087 30 40 EGEB C[C@@H]1CCCN(C(=O)CSc2nc3ccccc3n2CCC#N)C1 32957488 LIKZKOSNBMDRMM-CQSZACIVSA-N 342.468 3.301 30 40 EGEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(C)[C@@H]2c2ccccc2F)cc1 102862531 KMYZXCDCGFYLJA-IBOXJLQUSA-N 325.339 3.186 30 40 EGEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N(C)Cc1ccccc1O 53914886 PVQRYOLPAJUIID-UHFFFAOYSA-N 335.363 3.228 30 40 EGEB N#Cc1ccc(Sc2nc(Cc3cccs3)n[nH]2)c([N+](=O)[O-])c1 23618298 ZXCULYKPPXQXPR-UHFFFAOYSA-N 343.393 3.388 30 40 EGEB C#CCOc1ccc([C@H]2CC(O)=Nc3nc(NC)sc32)cc1OC 61720653 PULVSAAUXITGIF-LLVKDONJSA-N 343.408 3.329 30 40 EGEB CCCC1=[N+](CC(=O)c2ccc(OC)cc2)CCn2c(C)ccc21 1830920 VSLRNXHCKXIIMQ-UHFFFAOYSA-N 325.432 3.303 30 40 EGEB C#CCOc1c(Cl)cc(/C=C2\SC(=S)NC2=O)cc1Cl 408531071 NWEISVHBNCHSIY-POHAHGRESA-N 344.244 3.494 30 40 EGEB N#CCCN(Cc1ccccn1)C(=O)c1cccc(CN2CCCC2)c1 69491153 VOSYQJTWSLGTTN-UHFFFAOYSA-N 348.450 3.233 30 40 EGEB COc1cccc(CN(C)CC(=O)Nc2ccc(C#N)c(Cl)c2)c1 3584012 VGGKJYZHZKKNRC-UHFFFAOYSA-N 343.814 3.291 30 40 EGEB CN(CCOc1ccccc1Cl)C(=O)COc1ccc(C#N)cc1 14183064 HDWUZJJESUHION-UHFFFAOYSA-N 344.798 3.128 30 40 EGEB C#CCN1CCCC[C@H]1C(=O)N[C@H]1CCSc2ccc(C)cc21 72270367 RJEHKAOAKJWPDO-IRXDYDNUSA-N 328.481 3.136 30 40 EGEB C=CCN1C(=O)S/C(=C/c2cc(Cl)cc([N+](=O)[O-])c2O)C1=O 409064684 FGFMOODLDVUJOV-BJMVGYQFSA-N 340.744 3.176 30 40 EGEB CN(CCC(=O)Nc1ccccc1C#N)Cc1ccc(F)c(F)c1 44438813 LEFNARWMTWQMGF-UHFFFAOYSA-N 329.350 3.297 30 40 EGEB C=CCOCc1ncn2c1CN(Cc1ccc(OC)cc1)CCC2 96058997 WUZDEAGPUQETQR-UHFFFAOYSA-N 327.428 3.000 30 40 EGEB O=C1CN(/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N1 1181 HIQONTNPQNNMST-UBKPWBPPSA-N 338.150 3.139 30 40 EGEB in-man Cc1cc(Br)cc(Cl)c1OCC(=O)N(C)CCC#N 3415378 KNMYMJIIANPDFE-UHFFFAOYSA-N 345.624 3.162 30 40 EGEB CN(c1ncc(Cl)cn1)C1CCN(Cc2ccc(C#N)cc2)CC1 1849455441 BBODMEDLYKBXEP-UHFFFAOYSA-N 341.846 3.102 30 40 EGEB O=C(/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1cccc([N+](=O)[O-])c1 28495541 ACJGPYOIRZHHME-SNAWJCMRSA-N 342.263 3.128 30 40 EGEB N#Cc1ccc(S(=O)(=O)NCc2ccc(-c3cccs3)o2)cc1 575608967 MHSJFBCVNSPMSS-UHFFFAOYSA-N 344.417 3.358 30 40 EGEB Clc1ccc(-c2nc(/C=N/N3CCOCC3)c3ccccn23)cc1 71931 PJVOAZMVIYLJHI-DEDYPNTBSA-N 340.814 3.321 30 40 EGEB N#CCSc1n[nH]c(N/N=C/c2cccc(Cl)c2Cl)n1 20428993 JCYOEZJJKRWHDU-GIDUJCDVSA-N 327.200 3.173 30 40 EGEB C#Cc1cccc(N[C@H](C(N)=O)c2ccc(Br)cc2)c1 69705005 IIDLSXNIUMWSGK-HNNXBMFYSA-N 329.197 3.069 30 40 EGEB C=CCOc1ccccc1/C=N/N1C(=O)N[C@@](C)(c2ccccc2)C1=O 46426953 ACMAZFBNAMFEGW-LQOIVRHRSA-N 349.390 3.053 30 40 EGEB Cc1cc(C)c(C(=O)OCC(=O)Nc2sccc2C#N)c(C)c1 7032836 ALUGDLPPGVBQJU-UHFFFAOYSA-N 328.393 3.341 30 40 EGEB COc1cc(C(=O)/C=C/c2cccc(O[C@@H](C)C(=O)O)c2)ccc1O 58357309 DJEVCOVAWPBIKU-WMADIVHISA-N 342.347 3.149 30 40 EGEB CCOc1cc(/C(O)=N/S(C)(=O)=O)cc(-c2ccccc2)c1OC 48486787 IWHUHWWVECLMHO-UHFFFAOYSA-N 349.408 3.025 30 40 EGEB N#CC1(NC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)CCC1 69513708 SCXIHNDEQXEKSH-UHFFFAOYSA-N 345.487 3.194 30 40 EGEB N#Cc1ccc(NC(=O)[C@H]2CCCN2c2ncnc3sccc23)cc1 69599957 YYXQQWRPFRXKNN-OAHLLOKOSA-N 349.419 3.170 30 40 EGEB N#C[C@H](c1ccccc1)N1CCN(C(=O)/C=C/c2cccc(F)c2)CC1 16149178 MKPAVXRODAPQGF-SQUSKLHYSA-N 349.409 3.248 30 40 EGEB C#CCOc1ccc(C(=O)N2CCC(Nc3cccc(C)n3)CC2)cc1 96423749 NZYQXISKCYNILC-UHFFFAOYSA-N 349.434 3.119 30 40 EGEB C[C@@H](Nc1ccncc1NC(=O)c1cccc(C#N)c1)[C@@H]1CCCO1 72288608 GYJCOVJODHCIOA-ACJLOTCBSA-N 336.395 3.185 30 40 EGEB CC(C)n1ncc2cc(C(=O)Nc3ccc(C#N)c(C#N)c3)cnc21 75144218 RYKRIFAHVOJVDN-UHFFFAOYSA-N 330.351 3.008 30 40 EGEB Cn1c(SCC(=O)N(CC#N)c2ccccc2)nc2ccccc21 8807663 AYUPCJSQOMQZDX-UHFFFAOYSA-N 336.420 3.222 30 40 EGEB N#Cc1ccc(OC(F)F)c(NC(=O)COc2ccc(F)cc2)c1 76194457 NRDOOBGGJSPVJB-UHFFFAOYSA-N 336.269 3.316 30 40 EGEB CN(CCOc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(C#N)cn1 190782112 RAPHJUBLBZMDBZ-UHFFFAOYSA-N 349.312 3.123 30 40 EGEB C[C@H](NC(=O)N(C)Cc1cc(Cl)cn1C)c1cccc(C#N)c1 96465861 JBBJWPBMCUJVQK-LBPRGKRZSA-N 330.819 3.453 30 40 EGEB CN(C)N1C(=O)C[C@@H](c2cccc(F)c2)C2=C1CC(C)(C)CC2=O 1429512 PIAJHIYCWGIRCX-AWEZNQCLSA-N 330.403 3.261 30 40 EGEB N#C[C@H]1Cn2c(nc3c(c2=O)C2(CCCC2)Cc2ccccc2-3)S1 187126 IFGXGQPWAMQGSM-ZDUSSCGKSA-N 335.432 3.276 30 40 EGEB C/C(=N/NS(=O)(=O)c1cc(C)ccc1C)c1c[nH]c2ccccc12 32578363 LNXMYZWZCWWXHI-ZHZULCJRSA-N 341.436 3.487 30 40 EGEB Cc1csc(C2=C(O)CN(/N=C/c3ccc(N(C)C)cc3)C2=N)n1 102733845 MWFGUBWCJDBWSQ-RAQFCRNRSA-N 341.440 3.114 30 40 EGEB N#C[C@H](C(=O)Cc1ccc(Cl)cc1Cl)C(=O)Nc1ccccn1 104055941 OTWSBJFFGSSMPV-GFCCVEGCSA-N 348.189 3.278 30 40 EGEB COc1ccc([C@@H]2CCc3cc4c(cc3/C2=N/O)OCO4)cc1OC 103041121 JQEHLDMXRJMVNO-XEXOPBTESA-N 341.363 3.341 30 40 EGEB Cc1ccc(S(=O)(=O)N/N=C/C2=Cc3ccccc3O[C@@H]2C)cc1 2398986 RRZYNYDKSPBTTK-ONDHQXCVSA-N 342.420 3.124 30 40 EGEB N#Cc1nc(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)[nH]c1C#N 69376600 XPSOZNIEWCPYKL-IUCAKERBSA-N 346.177 3.202 30 40 EGEB N#C[C@@]1(NC(=O)c2csc(Cc3ccccc3F)n2)CCSC1 96410070 HHJBWYVZKYSCMY-INIZCTEOSA-N 347.440 3.002 30 40 EGEB C=CCSCC(=O)O[C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 78948778 STQMBNDJBCTYRZ-BFHYXJOUSA-N 341.473 3.094 30 40 EGEB N#Cc1ccc(N2CC[C@H](OC(=O)c3cc4ccccc4[nH]3)C2=O)cc1 84594629 ZSACPDQZHPTRGT-SFHVURJKSA-N 345.358 3.002 30 40 EGEB CCc1oc(C(=O)N[C@H](C#N)c2cnn(-c3ccccc3)c2)cc1C 95415228 QIATWYRYFAUTNG-MRXNPFEDSA-N 334.379 3.331 30 40 EGEB O=c1c2ccccc2nc(O)n1N=Cc1cccc(C(F)(F)F)c1 409343176 HRWOYDHXRUMXRB-UHFFFAOYSA-N 333.269 3.003 30 40 EGEB N#Cc1cnc(Nc2cccc(CN3CCC(O)CC3)c2)c(Cl)c1 79353940 ZRRPSWVVDVNMQS-UHFFFAOYSA-N 342.830 3.307 30 40 EGEB C[C@H]1C[C@H](C)CN(CCCNC(=S)Nc2ccc(CC#N)cc2)C1 225728061 LWCGDSFJEXQZPG-HOTGVXAUSA-N 344.528 3.407 30 40 EGEB COc1cccc([C@]2(O)CC[C@@H]3CN(Cc4ccc(C#N)cc4)C[C@H]32)c1 229941508 KMCCQEQBARDROD-STZQEDGTSA-N 348.446 3.296 30 40 EGEB CCOC(=O)N1CCC(Nc2nc(C(F)(F)F)ccc2C#N)CC1 96406508 AZQIHTUQRQZMBI-UHFFFAOYSA-N 342.321 3.005 30 40 EGEB C[C@H]1CN(c2nc3ccccc3nc2NCC(C)(C)C#N)C[C@@H](C)O1 611617910 PQJAJWFKLPKRDM-OKILXGFUSA-N 339.443 3.205 30 40 EGEB CN(c1ccccc1)[C@@H]1CCN(C(=O)CCc2ccc(C#N)cc2)C1 598378554 KEXDDQDWXBCZER-HXUWFJFHSA-N 333.435 3.228 30 40 EGEB Cc1cc(N/N=C\c2ccc([N+](=O)[O-])o2)c2cc3c(cc2n1)OCO3 17127091 IEKHHPHABYSIRE-IDUWFGFVSA-N 340.295 3.219 30 40 EGEB COc1ccc(NC(=S)N/N=C/c2ccc(C)cc2)cc1OC 6331755 NEZUIVBIFPNUST-WOJGMQOQSA-N 329.425 3.333 30 40 EGEB C/N=C1\S/C(=C\c2cc(C)n(-c3ccncc3)c2C)C(=O)N1C 2730174 IAOYRUQXHIFXFE-YBKXKOAPSA-N 326.425 3.021 30 40 EGEB COc1ccc(CNCc2cccnc2OC)cc1OCCCC#N 69776902 LEYQXQWLWKXLKK-UHFFFAOYSA-N 341.411 3.071 30 40 EGEB N#Cc1cccc(OS(=O)(=O)c2ccc(Br)cc2)c1 1562064 PNWCKZOOMBASQH-UHFFFAOYSA-N 338.182 3.088 30 40 EGEB C[C@@H](C#N)CSc1ccccc1NCC(=O)N[C@](C)(C#N)C1CC1 69704045 MYVOXTJNBNPEQY-SCLBCKFNSA-N 342.468 3.159 30 40 EGEB C=CCn1c(C)nnc1SCC(=O)N(C1=CCCCC1)C1CC1 58166253 VKKXOTMOMGGPBW-UHFFFAOYSA-N 332.473 3.314 30 40 EGEB C#Cc1cccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)c1 36692990 UQBCMVAIOJUWGG-UHFFFAOYSA-N 330.391 3.388 30 40 EGEB COc1cccc(CNC(=O)c2c(C)oc(-n3cccc3)c2C#N)c1 13000726 DVTGRIFEGLWNCU-UHFFFAOYSA-N 335.363 3.189 30 40 EGEB N#Cc1cnc(N2CCC[C@H]2c2nnc3n2CCCCC3)c(Cl)c1 69624386 JRIVPPIJMSDBOU-AWEZNQCLSA-N 342.834 3.266 30 40 EGEB C[C@H](CC(=O)NC1(C#N)CCOCC1)c1ccccc1C(F)(F)F 96423748 GXJHKDOUXOEIKS-GFCCVEGCSA-N 340.345 3.388 30 40 EGEB C[C@H](NC(=O)OC(C)(C)C)C1CCN(C[C@@H](C#N)CCC#N)CC1 71902820 VXUSVNXKBDXBEP-LSDHHAIUSA-N 334.464 3.055 30 40 EGEB Cc1cccc(NC(=O)[C@@H](C)O/N=C(/N)c2nccc3ccccc23)c1 72281944 LGEVLXVBWYHJKM-CQSZACIVSA-N 348.406 3.207 30 40 EGEB COCc1ccc([C@@H]2CCCN2C(=O)NCc2cccc(C#N)c2)o1 97148006 QZVFPWYDMGZJRZ-KRWDZBQOSA-N 339.395 3.344 30 40 EGEB O=C(O)c1ccc(/N=C/c2ccc(N3CCOCC3)c(F)c2)cc1 409122702 AYUDRUKOKMRGDF-UDWIEESQSA-N 328.343 3.111 30 40 EGEB CO[C@H](C)c1cccc(N[C@H]2CCN(c3ccc(C#N)cc3)C2=O)c1 79354980 SFMJWYZHWXKJOG-KUHUBIRLSA-N 335.407 3.483 30 40 EGEB Oc1cccc(/C=N\Nc2ncnc3c2ncn3Cc2ccccc2)c1 33531778 KEXHVQNXNONDBJ-RMORIDSASA-N 344.378 3.026 30 40 EGEB COc1ccc(-c2nnsc2C(=O)Nc2cccc(C#N)c2)cc1 225887401 DVYXGAZBNIXOPW-UHFFFAOYSA-N 336.376 3.338 30 40 EGEB N#CC(CCSc1nnc(N)[nH]1)(c1ccccc1)c1ccccc1 193066292 JVCYRNVYUXDTGT-UHFFFAOYSA-N 335.436 3.379 30 40 EGEB COc1cc(C=Nn2c(S)nnc2-c2ccc(C)cc2)ccc1O 254618244 JEMCNCVNJIPYTH-UHFFFAOYSA-N 340.408 3.139 30 40 EGEB N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@H]1Cc2ccccc2O1 363572660 HTASWPIVOJAXSE-QWFCFKBJSA-N 332.403 3.288 30 40 EGEB COc1cc(/C=N/c2c(C)cc(C)cc2C)ccc1OCC(N)=O 361124 ODBIZKZNFZKFJZ-UFFVCSGVSA-N 326.396 3.235 30 40 EGEB Cc1ccc2cc(C(=O)[C@H](C#N)C(=O)Nc3ccccn3)c(C)nc2c1 102017699 UZNBXTWZMDGLIT-INIZCTEOSA-N 344.374 3.208 30 40 EGEB C=CCN(CC=C)C(=O)c1cccc(I)c1 2750897 NWMFCSRMMNTRSY-UHFFFAOYSA-N 327.165 3.105 30 40 EGEB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C(N)=S)[C@H]2c1ccc(F)cc1 3073426 YGBCWPKQLADBBP-ZDUSSCGKSA-N 346.427 3.039 30 40 EGEB Cc1cc([C@H](C#N)C(=O)Cc2ccc(-n3cccc3)cc2)nc(C)n1 41560057 DYNVWMDZFRFNEG-SFHVURJKSA-N 330.391 3.303 30 40 EGEB N#Cc1cccc(C(=O)N2[C@H]3CC[C@H]2CN(Cc2cccs2)C3)c1 107262500 PEQNZSPRDUEGAX-IRXDYDNUSA-N 337.448 3.109 30 40 EGEB N#Cc1cccc(C(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)c1 12939862 NOTZUPNDROTOCO-UHFFFAOYSA-N 345.280 3.176 30 40 EGEB C[C@@H]1CCc2c(sc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)O)c2C#N)C1 5919983 HPOIRISOGRLPBD-WXHSDQCUSA-N 344.436 3.350 30 40 EGEB CCCN(CC#N)Cc1noc(Cc2ccc(Br)cc2)n1 71910876 GQUMBKBVPRLJIZ-UHFFFAOYSA-N 349.232 3.158 30 40 EGEB CCN1CCC[C@@]2(CN(Cc3ccc(C#N)cc3)CC(F)(F)C2)C1=O 306123796 AXALTMIVDWRXQX-GOSISDBHSA-N 347.409 3.028 30 40 EGEB CC(=O)/C(C(=O)Nc1ccc(C)cc1C)=C1\C(=O)Nc2ccccc21 30836543 KMBKFBCMBVQNIR-ISLYRVAYSA-N 334.375 3.237 30 40 EGEB COc1ccc(CN2C(=O)/C(=N\O)c3c(Cl)cccc32)cc1OC 46085233 FENFHNMJJPGNBB-MNDPQUGUSA-N 346.770 3.082 30 40 EGEB Cn1nncc1C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 225567387 SQSINWGCMLLYOK-JTQLQIEISA-N 343.456 3.152 30 40 EGEB O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1/N=C/c1cccc2ccccc12 239125209 KCWQNWPQOBZSRR-GFLQDLJJSA-N 342.398 3.227 30 40 EGEB C=CCN(C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 156144088 UYWCLFHNASABTP-UHFFFAOYSA-N 343.349 3.192 30 40 EGEB C=CCn1/c(=N/C(=O)CC)sc2cc(Br)ccc21 100874342 HHBVUSYFNSUOOV-SQFISAMPSA-N 325.231 3.489 30 40 EGEB Cc1nc2ccccc2nc1S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C 29282545 CAZRFGAMOJBONU-FZKQIMNGSA-N 342.468 3.473 30 40 EGEB C=CCNC(=S)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 2771020 UTQYSSFAUYPYEX-UHFFFAOYSA-N 330.284 3.176 30 40 EGEB NC(=O)c1c(/N=C/c2ccc(O)c([N+](=O)[O-])c2)sc2c1CCCC2 33395066 WVXXQYPQBYUSBN-QGMBQPNBSA-N 345.380 3.090 30 40 EGEB O/N=C1/CCC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 100977212 UEFYMYUOLITXNW-KWPCUBQOSA-N 327.350 3.210 30 40 EGEB C[C@@H]1CN([C@H](CNCC(C)(C)CCC#N)c2cccs2)CCO1 106917502 LJMSPMVVDTWZSA-HZPDHXFCSA-N 335.517 3.429 30 40 EGEB N#CC1(NC(=O)CN2CCCc3cc(F)c(F)cc32)CCCCCC1 26345772 FLXXGEJIPROAIR-UHFFFAOYSA-N 347.409 3.450 30 40 EGEB C=CCN(C(=O)c1scnc1C)[C@@H]1CCN(Cc2ccccc2)C1 69894433 DLEQQXXVPWPMEG-QGZVFWFLSA-N 341.480 3.354 30 40 EGEB Cc1cccc(OCCNC(=O)Nc2cccc(OCC#N)c2)c1 48515315 ZNBOLOZGEIHMFU-UHFFFAOYSA-N 325.368 3.098 30 40 EGEB Cc1nnc(SCC(=O)NC2(C#N)CCCC2)n1C1CCCCC1 5866302 NGHBKIDRYLGDSK-UHFFFAOYSA-N 347.488 3.136 30 40 EGEB CC(=O)c1csc(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)n1 15201377 LDMATVCSXPOMEQ-UHFFFAOYSA-N 340.364 3.162 30 40 EGEB C[C@@H](Sc1ccc(C#N)c(C(F)(F)F)c1)C(=O)N(C)CCC#N 96007257 JRAKWCUNABQSEF-SNVBAGLBSA-N 341.358 3.430 30 40 EGEB CCCCN(C)CC1CCN(C(=O)c2cccc(CC#N)c2)CC1 71903989 HSNGYVUDPSGDBC-UHFFFAOYSA-N 327.472 3.337 30 40 EGEB N#Cc1ccc(NC(=O)/C=C/c2cccnc2)c(Br)c1 72280990 GJUUKAJVXJTXNW-GQCTYLIASA-N 328.169 3.368 30 40 EGEB CCC[C@H](C)S(=O)(=O)/N=C(\O)c1cnn(C2CCCC2)c1C 95450056 OWYIEJZKYKFBKZ-NSHDSACASA-N 327.450 3.130 30 40 EGEB Cc1[nH]ncc1C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 75137390 AKVYTRNEINRQDX-LJQANCHMSA-N 346.390 3.292 30 40 EGEB CCOc1ccc(/C=N/NCc2ccc(OC)c(OC)c2)cc1OC 20195761 DTHMLXRZUBEMIZ-FYJGNVAPSA-N 344.411 3.235 30 40 EGEB Nc1c(/C=N/Nc2ccccc2)ccc2c1C(=O)c1ccccc1C2=O 4184477 VKNSMHMXJVVXOI-FSJBWODESA-N 341.370 3.490 30 40 EGEB Cc1cc(C)nc(N2NC3=C(C(=O)C[C@H](C)C3)[C@@H]2c2cccs2)n1 227129507 JLWOITBOVVKAED-QGHHPUGFSA-N 340.452 3.474 30 40 EGEB C[C@@H](NC(=O)N1CCC(C#N)CC1)c1ccc(Br)cc1 65584782 IOVIAGKBKSCEGT-LLVKDONJSA-N 336.233 3.455 30 40 EGEB N#C/C(=N\Nc1ccccc1)C1=NC(=O)/C(=N/Nc2ccccc2)S1 5683755 XKFJHGDVMFPBQX-PBDXNDDNSA-N 348.391 3.076 30 40 EGEB Cc1ccc([C@H]2c3c(nn(-c4ccccc4)c3O)NC(=O)[C@@H]2C#N)cc1 14163205 BOVRLWMVSYKCBX-HZPDHXFCSA-N 344.374 3.110 30 40 EGEB C=CCn1cc(CN2CCc3c(O)nc(C)nc3C2)c2ccccc21 19576641 WGJJZQLWOMAKQG-UHFFFAOYSA-N 334.423 3.190 30 40 EGEB Cc1ccc([N+](=O)[O-])c(C)c1OCC(=O)NC1(C#N)CCCCCC1 29751232 JSMTXBQEUNTJBO-UHFFFAOYSA-N 345.399 3.323 30 40 EGEB COc1ccc([C@@H]2CC(=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc1OC 480646 UGGDNUMIKUSFSO-ZDUSSCGKSA-N 343.423 3.293 30 40 EGEB biogenic C=CCOc1ccc(CN[C@H]2CCN(C(C)=O)C[C@@H]2C)cc1Cl 89937466 CFTRNCPSBWIOAV-GUYCJALGSA-N 336.863 3.251 30 40 EGEB Cc1csc([C@@H]2CN(CCCOc3ccc(C#N)cc3)CCO2)n1 65473901 KIKQMXXYZQFEFF-KRWDZBQOSA-N 343.452 3.166 30 40 EGEB N#CCc1ccc(NC(=O)C(=O)N[C@@H]2CCCCc3ccccc32)cc1 69560570 UKMKRGNSOUPEIA-LJQANCHMSA-N 347.418 3.275 30 40 EGEB O=C(/C=C1\NCCc2cc3c(cc21)OCCCO3)c1ccc(F)cc1 5489271 MPFFEHSZIBIQKC-ATVHPVEESA-N 339.366 3.357 30 40 EGEB C/C(=N\N1C(=O)CSC1=S)c1ccc(Br)cc1 4924704 AEQPPMPJHWBKQA-NTUHNPAUSA-N 329.244 3.033 30 40 EGEB Cc1ccc(NC(=O)[C@@H](C)O/N=C/c2cccc([N+](=O)[O-])c2)cc1F 15332463 CXQGQYHDCLPDSN-AINDZBIGSA-N 345.330 3.420 30 40 EGEB CCCCOc1ccccc1/C=N/NS(=O)(=O)c1ccc(C)cc1 408899787 QTEZVDCNDLJPAW-XMHGGMMESA-N 346.452 3.486 30 40 EGEB C=CCNC(=O)COc1ccccc1-c1noc(-c2cccc(C)c2)n1 33325163 DTMZZVYIIWKTMZ-UHFFFAOYSA-N 349.390 3.393 30 40 EGEB N#CCSc1cccc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)c1 79437362 ZXYIBTYWIFWFRX-UHFFFAOYSA-N 341.392 3.183 30 40 EGEB Cc1ccnc(S(=O)(=O)/N=C(\O)CC(C)(C)c2ccccc2)c1 79306271 NTLOLKRDHDIHEZ-UHFFFAOYSA-N 332.425 3.403 30 40 EGEB C=CCN(c1cccc(NC(=O)c2cccc(F)c2)c1)S(C)(=O)=O 224958107 VZBYZLOAZDJUQF-UHFFFAOYSA-N 348.399 3.030 30 40 EGEB CN(C)c1ccc(/C=N/Nc2nc(Cl)nn2[C@@H]2CCCCO2)cc1 95116184 HSNXPKYRSZCILK-BGARDKSCSA-N 348.838 3.143 30 40 EGEB N#Cc1cnc(N2CCCN(C(=O)CC3CCCC3)CC2)c(Cl)c1 69843683 KHVVPGBTWFIRQP-UHFFFAOYSA-N 346.862 3.226 30 40 EGEB COc1cc(/C=C/C(=O)c2cccc(N3CCCC3=O)c2)ccc1O 13013305 UMWLUVQBHDNCNO-VQHVLOKHSA-N 337.375 3.424 30 40 EGEB COc1cc(C#N)cc(Cl)c1OCC(=O)N1C[C@H](C)C[C@@H](C)C1 9154100 KXBKKWNLKKUHIG-VXGBXAGGSA-N 336.819 3.104 30 40 EGEB N#Cc1ccc(CSc2nnc(-c3ccccc3Cl)n2N)cc1 531993 IZMZZQDWLMZBRP-UHFFFAOYSA-N 341.827 3.476 30 40 EGEB CC(C)(C)c1nc(C(C)(C)NC(=O)/C=C/c2ccc(C#N)cc2)no1 58342495 YBJOOCPMSINGRR-ZHACJKMWSA-N 338.411 3.303 30 40 EGEB N#Cc1ccc(OCC(=O)Nc2nc3c(F)cccc3s2)cc1 3355840 PWTZCAHFXODVGI-UHFFFAOYSA-N 327.340 3.325 30 40 EGEB N#Cc1ccc(CN2C(=O)NC3(CCCCCCC3)C2=O)c(F)c1 10536885 AXCPLOFCQLCBLH-UHFFFAOYSA-N 329.375 3.232 30 40 EGEB C/N=C(/c1ccco1)n1c(=S)nc(-c2ccco2)n(C)c1=S 13116182 MMXXOTUUIBIPNE-PTNGSMBKSA-N 332.410 3.458 30 40 EGEB C=CCOC(=O)c1sc(NC(=O)COc2ccccc2C)nc1C 4185188 HGCJTFCWEUZQIL-UHFFFAOYSA-N 346.408 3.120 30 40 EGEB CN(C)CC/N=C(\S)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 6314103 HHJKGHLPDBGQBK-UHFFFAOYSA-N 339.468 3.489 30 40 EGEB C=CCCS(=O)(=O)N1CCC(n2c(CC)nc3ccccc32)CC1 93026601 GMNHZUWSEOQGOR-UHFFFAOYSA-N 347.484 3.142 30 40 EGEB COc1cccc(F)c1C(=O)/C=C/c1csc(N(C)C(C)=O)n1 78694870 BAXOTKUOFJGHBO-BQYQJAHWSA-N 334.372 3.170 30 40 EGEB CSc1nsc(NC(=O)CSCc2ccc(C#N)cc2)n1 71916714 LKJRTZMSWHZYBB-UHFFFAOYSA-N 336.467 3.004 30 40 EGEB CCOC(=O)Nc1ccc(N[C@H]2CCN(CC)C[C@H]2C)cc1C#N 97095681 ZXSGBXNEHQCLPD-CJNGLKHVSA-N 330.432 3.269 30 40 EGEB C#Cc1cccc(NCc2ccccc2OCC(=O)N2CCCC2)c1 97146791 WMADJXOTWSQGIA-UHFFFAOYSA-N 334.419 3.281 30 40 EGEB Cc1cc(C)nc([C@H](C#N)C(=O)c2cc(C)n(-c3ccc(F)cc3)n2)n1 97231541 ZYJRTYHMZVHWAW-MRXNPFEDSA-N 349.369 3.217 30 40 EGEB CCCCCc1c(N)cc(C#N)n1CC(=O)Nc1ccc(F)cc1 225860319 QWABIOWANMSVOT-UHFFFAOYSA-N 328.391 3.452 30 40 EGEB C#CCn1c([C@@H]2CC(=O)N(c3ccccc3F)C2)nc2ccccc21 4033457 UTMAIBSTUUUEPH-CQSZACIVSA-N 333.366 3.329 30 40 EGEB CC/C(=N\NS(=O)(=O)c1ccc(OC)cc1)c1ccc(C)s1 372925 AQPNIRHNNHZBKM-JQIJEIRASA-N 338.454 3.158 30 40 EGEB Cc1nc(NC(=O)CCc2c(C)nn(CCC#N)c2C)sc1C 24050760 QDOMTRFFCYEWQQ-UHFFFAOYSA-N 331.445 3.058 30 40 EGEB C=CCN(C(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1 48286175 VJZWUTGMEHIMMB-UHFFFAOYSA-N 346.434 3.389 30 40 EGEB COc1ccc(/C=C(\C(=O)C(=O)O)c2ccc3ccccc3n2)cc1 4868734 JSKMYLXATJFSTJ-VBKFSLOCSA-N 333.343 3.438 30 40 EGEB N#CCOc1ccc(/C=C/C(=O)N2CC[C@@H](Nc3ccccc3)C2)cc1 67279543 SQACDRVZOCXIGT-UFUQCMIWSA-N 347.418 3.315 30 40 EGEB Cc1ccc(Cn2cccc(NC(=O)c3cccc(C#N)c3)c2=O)cc1 95436446 KSQJDKYVRTWQQT-UHFFFAOYSA-N 343.386 3.329 30 40 EGEB CC1(C)C[C@H]1/C(O)=N/S(=O)(=O)Cc1cc(-c2ccccc2)no1 95434690 SKWZWUOHBKVRRC-ZDUSSCGKSA-N 334.397 3.174 30 40 EGEB Cc1cccc(N2CCO[C@@H]2c2cn(Cc3ccc(C#N)cc3)nn2)c1 216759808 FKHSUYPAWWRGRC-HXUWFJFHSA-N 345.406 3.042 30 40 EGEB CCC[C@H](c1ccccn1)N(C)C(=O)C#Cc1ccc2c(c1)OCO2 195540149 BHXHETXOUQGLNM-QGZVFWFLSA-N 336.391 3.162 30 40 EGEB Cc1ccc(S(=O)(=O)/N=C(\O)C[C@@H](C)n2cccc2)cc1N(C)C 96475760 SVMZHPZUAMAKAI-CQSZACIVSA-N 349.456 3.159 30 40 EGEB CCOc1ccc(-n2nc(C#N)c(N3CCc4ccccc4C3)n2)cc1 256048622 UXLHLMGXCVTMEB-UHFFFAOYSA-N 345.406 3.100 30 40 EGEB C=CCn1c(SCc2ccc(OC)cc2)nnc1-c1cnccn1 16755585 ZELXARSABMRLEH-UHFFFAOYSA-N 339.424 3.222 30 40 EGEB COc1ccc(C(=O)C2CCN(C(=O)c3cccc(C#N)c3)CC2)cc1 31004624 LLALKUOMINWNHT-UHFFFAOYSA-N 348.402 3.302 30 40 EGEB COc1ccc2cc(C#N)c(SCC(=O)N3CCCCC3)nc2c1 421826 RZACYZMNMBLHGJ-UHFFFAOYSA-N 341.436 3.220 30 40 EGEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCc4ccccn4)[C@H]3C[C@H]12 3999474 BFJNQCPSOZSEFY-DRJBRKBZSA-N 340.467 3.485 30 40 EGEB biogenic N#Cc1ccc(C(=O)NCCCNc2ccc(C(F)(F)F)cn2)cc1 32911957 NEVRWYBJFCCZQU-UHFFFAOYSA-N 348.328 3.204 30 40 EGEB N#C[C@@H](NC(=O)CSCc1ccncc1)c1cccc(Cl)c1 69894385 XBJJBBMVIMQGMT-OAHLLOKOSA-N 331.828 3.349 30 40 EGEB N#Cc1ccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 21870216 YRCHYICUDPXHDU-QPJJXVBHSA-N 331.419 3.029 30 40 EGEB COc1cc(C#N)cc(Cl)c1OC(=O)c1ccc(NC(C)=O)cc1 24042549 JHDNLQOPGINGGN-UHFFFAOYSA-N 344.754 3.398 30 40 EGEB CN(C)CCNc1nc(-c2ccco2)c2c(c1C#N)CC(C)(C)OC2 3655883 UKTMLBHOZGIKPY-UHFFFAOYSA-N 340.427 3.038 30 40 EGEB COc1ccc(/C(N)=N/OC(=O)C23CC4CC(CC(C4)C2)C3)cc1 6181713 NMKBWZIJEQRBET-UHFFFAOYSA-N 328.412 3.075 30 40 EGEB COc1cc(/C=N/Nc2nc(C)cs2)cc(Br)c1O 4338826 USNWNIBLXPNKFY-LHHJGKSTSA-N 342.218 3.374 30 40 EGEB COc1ccc(OC)c(/C=N/c2ccc(N3CCOCC3)cc2)c1 4663637 KLYQSEXKGKRXRK-XSFVSMFZSA-N 326.396 3.291 30 40 EGEB N#Cc1ccc([C@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cc1 9156023 UAOFXOQZQYZNOE-LPHOPBHVSA-N 333.391 3.304 30 40 EGEB C=CC[C@@]1(OC)C=C2C(=CC1=O)O[C@H](c1ccc3c(c1)OCO3)[C@H]2C 15043980 HCKMSYACKQLOPY-OCCQLPPTSA-N 340.375 3.477 30 40 EGEB biogenic CCCCC(=O)O[C@H]1CC(C)=C2C(=O)C=C(C)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@H]12 5951034 BAYQPGBXUAKXTF-WLKGZBLQSA-N 346.423 3.132 30 40 EGEB biogenic N#Cc1cccc(NC(=O)CSc2nnc(C3CC3)n2C2CC2)c1 7851352 YUAFFWSJIDDJAN-UHFFFAOYSA-N 339.424 3.093 30 40 EGEB N#Cc1cc(C(=O)Nc2ccc(Oc3ccc(CO)cc3)cc2)c[nH]1 97048426 USKYEKJUISOHOW-UHFFFAOYSA-N 333.347 3.423 30 40 EGEB CCCCCc1c(N)cc(C#N)n1CC(=O)Nc1ccccc1OC 225860942 ZOHILRDZZMAQEM-UHFFFAOYSA-N 340.427 3.322 30 40 EGEB CC1=CC[C@H](/C(C)=C/CC/C(C)=C/[C@@H]2C(=O)C(C)=C[C@H]2O)OC1=O 77257487 FPIGZCFWUBVDJZ-QGTHTMDQSA-N 330.424 3.427 30 40 EGEB biogenic,in-vitro N#CC1(c2ccccc2)CCN(CC(=O)Nc2ccccc2F)CC1 1848460016 XYRJPKLZLDGRSJ-UHFFFAOYSA-N 337.398 3.322 30 40 EGEB N#Cc1ccnc(O[C@@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)c1 575605022 FUHCRYQZXVHLGC-MRXNPFEDSA-N 341.798 3.290 30 40 EGEB CC(C)COC(=O)C[N+](C)(C)CCO[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C 4043639 ZCGXPPMGQSXPBJ-ABSDTBQOSA-N 340.528 3.493 30 40 EGEB COC(=O)c1ccc2c(c1)C(=O)/C(=C/c1ccc(OC)cc1OC)O2 429861 ACQNDKXMOBGYKN-MFOYZWKCSA-N 340.331 3.107 30 40 EGEB biogenic,in-vitro N#Cc1ccc(NC(=O)C(=O)Nc2nc(C3CC3)cs2)cc1Cl 69702001 MRXBCMFZLYPQNU-UHFFFAOYSA-N 346.799 3.123 30 40 EGEB COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NCc1ccc(Cl)cc1 10118847 KUKVXPNJOGRQTM-VXLYETTFSA-N 349.774 3.389 30 40 EGEB COCCOc1nc(-c2ccco2)c2c(c1C#N)CC(C)(C)OC2 12324799 YUPRKJJOJHNYIU-UHFFFAOYSA-N 328.368 3.090 30 40 EGEB COc1ccc(OC)c(C[C@@H](C#N)C(=O)Nc2ccc(F)cc2)c1 57524967 FQICCKVARLTAJT-ZDUSSCGKSA-N 328.343 3.164 30 40 EGEB N#CCOc1ccccc1/C=C1\SC(=N)[C@@H](c2nccs2)C1=O 107683713 YOWKGIWBXTZXNL-GMZUGRGDSA-N 341.417 3.463 30 40 EGEB O=C(CO/N=C/c1ccccc1OC(F)F)N1CCc2ccccc21 3324159 YUZAKUQGIPIQPH-SRZZPIQSSA-N 346.333 3.228 30 40 EGEB CSc1nc2n(n1)[C@H](c1cccc(F)c1)C1=C(CCCC1=O)N2 4436091 LNQKGHAKWLJCMY-CQSZACIVSA-N 330.388 3.161 30 40 EGEB CCCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)Nc2cccc(C#N)c2)C1 65610668 KBIZBIVGZAWPHK-HOCLYGCPSA-N 342.443 3.107 30 40 EGEB N#Cc1ccc(F)c(Cn2nc(C3CC3)cc(C(F)(F)F)c2=O)c1 71817235 NKMPUSFVMRJQRU-UHFFFAOYSA-N 337.276 3.199 30 40 EGEB N#C[C@@H](NC(=O)C[C@H]1CSCCS1)c1cccc(Cl)c1 95433628 XJFLDLQBTPBVHY-QWHCGFSZSA-N 326.874 3.260 30 40 EGEB N#C[C@H]1C(=O)Nc2nc3ccccc3n2[C@H]1c1c[nH]c2ccccc12 20638141 NTFJNFIFVFWGLA-SJKOYZFVSA-N 327.347 3.199 30 40 EGEB CCc1ccc(N/N=C2\C(=O)Nc3cc(OC)c(OC)cc32)cc1 223737062 ZLMRFIWYGQQESC-UHFFFAOYSA-N 325.368 3.035 30 40 EGEB Cc1cc(Cl)c2ncc(C#N)c(NC[C@@H](CO)[C@H]3CCOC3)c2c1 252489380 JPUJZGFEZUOADP-JSGCOSHPSA-N 345.830 3.125 30 40 EGEB COc1ccc([C@H](C)NC(=O)NCC#Cc2ccccc2)c(OC)c1 48415742 DWBYRRAFVIQABO-HNNXBMFYSA-N 338.407 3.116 30 40 EGEB N#C[C@@H](C(=O)Nc1nccs1)c1ncc(C(F)(F)F)cc1Cl 89885331 ALGTZGJXGCBIBU-SSDOTTSWSA-N 346.721 3.456 30 40 EGEB COC(=O)CCc1ccc2c(c1)O[C@](C)(CCC=O)[C@@H]1CCCO[C@@H]21 2037873417 IQTRDZDUICJFDI-LSTHTHJFSA-N 346.423 3.390 30 40 EGEB COc1ccc([C@H]2CC(=O)[C@@H](C(C)C)C(C#N)(C#N)C2(C#N)C#N)cc1 506224 ISMQMIQHILILPT-SJLPKXTDSA-N 346.390 3.091 30 40 EGEB O/C(COc1ccc(F)cc1)=N\c1ncn(Cc2ccccc2)n1 54114147 AOWDZECXVIYPRF-UHFFFAOYSA-N 326.331 3.133 30 40 EGEB C=CCOc1cccc(NC(=O)NCc2ccc(O)c(OC)c2)c1 56607713 ROIZTSFUJGGRIP-UHFFFAOYSA-N 328.368 3.287 30 40 EGEB COc1c(Cl)cc(NCC(=O)N[C@](C)(C#N)C(C)C)cc1Cl 58218680 SCKPNIUCKIRUHB-OAHLLOKOSA-N 344.242 3.468 30 40 EGEB CCN(CC)/C(=N\S(=O)(=O)c1ccccc1C)c1ccccc1 17968899 ZUYRCNKBICEXOE-HNENSFHCSA-N 330.453 3.472 30 40 EGEB CCCC[C@H](CC)CN1CC(=O)C(c2nc3ccccc3[nH]2)=C1N 5009545 AQWJTTFKLWETEW-ZDUSSCGKSA-N 326.444 3.291 30 40 EGEB CSc1nc2n(n1)[C@@H](c1cc(F)cc(F)c1)C1=C(CCCC1=O)N2 4488266 DLZSQWHOXSWOHZ-AWEZNQCLSA-N 348.378 3.300 30 40 EGEB Cc1ccc(S(=O)(=O)OC2CC(C)(C)N(O)C(C)(C)C2)cc1 4577635 SRNPCPMNECAZKZ-UHFFFAOYSA-N 327.446 3.111 30 40 EGEB in-vitro Cc1cc(S(=O)(=O)/N=C(\O)c2cnn(C(C)C)c2C)c(C)s1 92698333 YZVIDNDVGQEQBB-UHFFFAOYSA-N 341.458 3.144 30 40 EGEB Cc1nc2cc(/N=C/c3nc4cc([N+](=O)[O-])ccc4n3C)ccc2n1C 9090752 HAVAHJMJZODQIJ-VXLYETTFSA-N 348.366 3.427 30 40 EGEB O=C(COc1ccc(/C=N\c2ccccc2)cc1)NC[C@@H]1CCCO1 408800652 OFQFFEUTELXPMY-IAFWPLRWSA-N 338.407 3.111 30 40 EGEB Cc1c(Cl)cc(S(=O)(=O)Nc2ncccc2C#N)cc1Cl 97164893 DPDDKNOPAPDVBJ-UHFFFAOYSA-N 342.207 3.369 30 40 EGEB CCC[C@@H](NC(=O)c1cc2ccccc2s1)/C(O)=N/c1ncn[nH]1 95404097 JUVQODRIPOWYTM-LLVKDONJSA-N 343.412 3.206 30 40 EGEB COc1cc(/C=N/c2oc(C)c(C)c2C#N)c([N+](=O)[O-])cc1OC 408723531 YMLJWSFELAKEME-QGMBQPNBSA-N 329.312 3.444 30 40 EGEB CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cccc3cc[nH]c23)n1 76883983 UYIDSISRNWAENY-LBPRGKRZSA-N 339.376 3.291 30 40 EGEB C=CCC1(C(=O)N2CCO[C@](C)(c3ccccc3)C2)CCOCC1 568873556 DPXMGUSFOLQXLP-IBGZPJMESA-N 329.440 3.134 30 40 EGEB CC1CCN(c2ccc(N(C)C(=O)C(F)(F)F)cc2C#N)CC1 226280264 MUJRIEHNVLYYNE-UHFFFAOYSA-N 325.334 3.320 30 40 EGEB O=C1Nc2ccc(Br)cc2/C1=N/c1ccc([N+](=O)[O-])cc1 4410909 DHQBGJZMMQUBLD-UHFFFAOYSA-N 346.140 3.430 30 40 EGEB Cc1cccc(N/N=C2\Oc3ccc4c(C)cc(=O)oc4c3C2=O)c1 5730681 ZKQPKRZUJWKFCA-VZCXRCSSSA-N 334.331 3.411 30 40 EGEB biogenic C(=N/Nc1ccc2nncn2n1)\c1ccccc1OCc1ccccc1 2685673 FFZHEHXMFSSXOV-UDWIEESQSA-N 344.378 3.149 30 40 EGEB N#Cc1ccc(NC(=O)COCc2cc(-c3cccs3)on2)cc1 6876537 ACOQDTTXNMCRFE-UHFFFAOYSA-N 339.376 3.430 30 40 EGEB N#Cc1cc(NC(=O)CC(F)(F)F)ccc1OCC(F)(F)F 46933686 BYBJXSICPXWBKD-UHFFFAOYSA-N 326.196 3.390 30 40 EGEB COCC(=O)Nc1cccc(CNc2cc(C#N)nc3ccccc23)c1 76041908 SAMTWTSARIUTAC-UHFFFAOYSA-N 346.390 3.303 30 40 EGEB CCN(C[C@@H](C)C#N)C(=O)CCc1nc(-c2ccc(Cl)cc2)no1 58282415 YORXPFIPHPXTPO-LBPRGKRZSA-N 346.818 3.331 30 40 EGEB C=C(C)Cn1nnc2c(sc3nc(-c4ccccc4)nc(C)c32)c1=O 13682487 YUOZPCKSXMKJJH-UHFFFAOYSA-N 349.419 3.348 30 40 EGEB Cc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1[N+](=O)[O-] 408931644 OLOOCLDTYFCHFK-CPNJWEJPSA-N 325.368 3.490 30 40 EGEB N#C[C@H](C(=O)c1nnn(-c2ccc(F)cc2)c1C1CC1)c1ccccn1 71850168 CGWNLNXCRHPCLT-HNNXBMFYSA-N 347.353 3.169 30 40 EGEB N#Cc1ccc(C(F)(F)F)nc1NCc1ccc(-n2cccn2)nc1 71908968 XWZOHSFYOMMHOY-UHFFFAOYSA-N 344.300 3.165 30 40 EGEB COc1ccc([C@@H](C#N)NC(=O)c2ccc3[nH]ccc3c2)c(OC)c1 95393267 SIVOIHRMDBRSNN-QGZVFWFLSA-N 335.363 3.180 30 40 EGEB COc1ccc(NC(=O)N(CCC#N)Cc2cccnc2)cc1F 95413264 VQUNFFNGDBRVBX-UHFFFAOYSA-N 328.347 3.177 30 40 EGEB Cc1ccc(C/C(O)=N/S(=O)(=O)c2ccc(C(F)(F)F)cc2)o1 95460263 ZKFZSXFOFVXXCG-UHFFFAOYSA-N 347.314 3.495 30 40 EGEB N#Cc1ccsc1NC(=O)c1nc(C2CC2)n(-c2ccccc2)n1 78979253 UUHBNRZLSSXIKF-UHFFFAOYSA-N 335.392 3.330 30 40 EGEB CCCCCCCCNS(=O)(=O)c1ccc(C)c(C(=O)O)c1 226858356 QRKUIVIVBRPGOL-UHFFFAOYSA-N 327.446 3.332 30 40 EGEB C=CCO[C@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1cc2ccccc2o1 96042052 YCCRHZIIOLJUEO-QILLFSRXSA-N 327.380 3.007 30 40 EGEB C=CCOCc1cncc2c1CCN(Cc1ccc3c(c1)OCO3)C2 96189360 RMYABAAZKBWDSZ-UHFFFAOYSA-N 338.407 3.071 30 40 EGEB N#Cc1cc(C(=O)Nc2ccccc2NCCc2ccccn2)c[nH]1 97238774 WGFWYWGUCPBTKS-UHFFFAOYSA-N 331.379 3.188 30 40 EGEB O=[N+]([O-])c1ccccc1C=Nn1c(S)nnc1C1CCCCC1 253616957 GUEJNENARRDKCZ-UHFFFAOYSA-N 331.401 3.405 30 40 EGEB CC1=C2[C@@H]3OC(=O)[C@H](C)[C@@H]3CC[C@]2(C)C=C(Br)C1=O 5080584 QRONGANYXMWLQI-SIBHMAHQSA-N 325.202 3.142 30 40 EGEB C#CCN1C(=O)[C@@](O)(CC(=O)c2c(C)cc(C)cc2C)c2ccccc21 316522 DKQPMVUUFUIDCP-JOCHJYFZSA-N 347.414 3.052 30 40 EGEB CC1CCN(C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@@]45O[C@H]5[C@H]23)CC1 4028652 ASHKYTHYJZVSKW-KFYPDWBNSA-N 347.499 3.244 30 40 EGEB biogenic C=CCn1c(N)c(C(=O)NCCC(C)C)c2nc3ccccc3nc21 532067 PBYVNARYERTDHB-UHFFFAOYSA-N 337.427 3.129 30 40 EGEB Cc1ccccc1OCCCC(=O)N(CCC#N)Cc1cccnc1 69324417 RPEZGTQNWIODQV-UHFFFAOYSA-N 337.423 3.492 30 40 EGEB N#CCSCC(=O)Nc1c(-c2ccc(F)cc2)nc2sccn12 47903954 MBRJQTOUHJBQAM-UHFFFAOYSA-N 346.412 3.397 30 40 EGEB COc1cc(/C=N/O)ccc1OCC(=O)Nc1c(C)cc(C)cc1C 3272917 YNRQMMJCNDHBTJ-KEBDBYFISA-N 342.395 3.446 30 40 EGEB C[C@@H](N(C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C(C)(C)C 58195794 BUBPCLIMXDZFDA-CQSZACIVSA-N 339.443 3.049 30 40 EGEB N#Cc1cc(F)c(N2CCC(C(=O)Nc3ccccn3)CC2)c(F)c1 58197062 LGQBWLOAHDXQEV-UHFFFAOYSA-N 342.349 3.087 30 40 EGEB Cc1ccc(C)c(N(C)C(=O)C2CCN(c3ccc(C#N)cn3)CC2)c1 48324654 CIBIFVAXQUICPP-UHFFFAOYSA-N 348.450 3.450 30 40 EGEB COc1ccc(F)cc1CN1CC[C@@H](CNc2ccc(C#N)cn2)C1 65531026 HTKHKQHLJOFKSV-HNNXBMFYSA-N 340.402 3.035 30 40 EGEB CCN(CC(=O)Nc1c(C)cccc1C)C(=O)C#Cc1ccccc1 176450333 OGKJGIONBAOPHI-UHFFFAOYSA-N 334.419 3.142 30 40 EGEB Cc1cccc(C)c1C/C(O)=N/S(=O)(=O)CCCC(F)(F)F 97147608 VBWDCRCTCKDOHN-UHFFFAOYSA-N 337.363 3.475 30 40 EGEB N#Cc1ccc(F)c(CNC(=O)N2CCO[C@H](c3ccsc3)C2)c1 89768259 GSQSNPZEBQKIBL-INIZCTEOSA-N 345.399 3.042 30 40 EGEB C=CCN(C[C@@H](C)c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 249195418 QGVDISCPZDGJIP-CJNGLKHVSA-N 327.877 3.119 30 40 EGEB Cc1cc(C)cc(-n2nc(C#N)c(N3CCc4ccccc4C3)n2)c1 256047871 PEGBGGWNVVQBHK-UHFFFAOYSA-N 329.407 3.319 30 40 EGEB N#C[C@H]1CCC[C@H]1NC(=O)Cc1c[nH]c2ccc(Br)cc12 585122039 LHTXEDRKLRJKMT-QMTHXVAHSA-N 346.228 3.281 30 40 EGEB CC(=O)C1=CCC(Oc2cccc(N)c2)(Oc2cccc(N)c2)C=C1 390823155 UQTLBYLBSRFANL-UHFFFAOYSA-N 336.391 3.480 30 40 EGEB C#CCn1/c(=N/C(=O)c2ccccc2F)sc2cccc(OC)c21 100910339 PFAYOPPAABYRKO-ZZEZOPTASA-N 340.379 3.225 30 40 EGEB CCCOC(=O)[C@H](C)Sc1nc(O)c(C#N)c(-c2ccccc2)n1 31773594 HLKZIHNWEXWLOR-NSHDSACASA-N 343.408 3.155 30 40 EGEB COC(=O)/C(=C\NC1CC1)C(=O)c1cc(F)c(Cl)cc1Cl 100038119 YCDBNUJZSAFBIY-TWGQIWQCSA-N 332.158 3.124 30 40 EGEB O=[N+]([O-])c1ccc(N/N=C2\[C@@H]3[C@H]4C[C@H]5[C@@H]6[C@H]4C[C@H]3[C@H]6[C@H]25)c([N+](=O)[O-])c1 103444414 KSEOYFBWVDHLNF-KGNFHJDOSA-N 340.339 3.049 30 40 EGEB C=CCSc1nnc(NC(=O)c2ccc(NC(C)=O)cc2)s1 3421026 WRFPFGSORCAFIX-UHFFFAOYSA-N 334.426 3.027 30 40 EGEB O=S(=O)(/N=C(\O)c1cc(F)c(F)cc1Cl)c1cccs1 48427131 YUWZZXOSSSZIJJ-UHFFFAOYSA-N 337.756 3.373 30 40 EGEB C=CCNC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl 12924824 DJFOKHRQSPPDFV-CQSZACIVSA-N 343.254 3.440 30 40 EGEB C[C@@H](C#N)CSc1ccccc1NC(=O)CCNC(=O)C(C)(C)C 65453548 VHDFFNVAILYAKB-ZDUSSCGKSA-N 347.484 3.429 30 40 EGEB COc1cn(-c2ccccc2)nc1C(=O)N(CCC#N)[C@H](C)C1CC1 65550357 QRAQWBQACQYYNQ-CQSZACIVSA-N 338.411 3.035 30 40 EGEB CN(Cc1cccc(OC(F)F)c1)c1nccc(C#N)c1[N+](=O)[O-] 95966028 BBMGMBYSUWWBRF-UHFFFAOYSA-N 334.282 3.099 30 40 EGEB CC1(C)C2=C(Sc3[nH]c(=O)sc31)C(=O)c1ccccc1C2=O 16779000 UPTPLANKBQLKBP-UHFFFAOYSA-N 329.402 3.153 30 40 EGEB COc1cc(-c2cc(-c3ccc(O)cc3)nc(N)c2C#N)ccc1O 13126436 WQBPXJSWOBGZJK-UHFFFAOYSA-N 333.347 3.289 30 40 EGEB N#Cc1cccc(CS(=O)(=O)Cc2cccc(OC(F)F)c2)c1 69871633 GLWKBTZZCDQUII-UHFFFAOYSA-N 337.347 3.275 30 40 EGEB C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1cc(C(C)(C)C)sc1C#N 91208758 LOTYZYZYANVTOS-VXGBXAGGSA-N 336.457 3.440 30 40 EGEB O=C(OCC#CCSc1nnc(-c2ccccc2)o1)c1ccco1 2377637 GVDAJYKLSRPVEF-UHFFFAOYSA-N 340.360 3.282 30 40 EGEB N#CCCN(Cc1ccco1)C(=O)[C@@H]1Cc2cc(Cl)ccc2O1 69433085 UGXJQCSAEOWFPE-INIZCTEOSA-N 330.771 3.179 30 40 EGEB N#C[C@@H](C(=O)c1ccc(N2CCCC2)nc1)c1nc2ccccc2[nH]1 97141464 CYNZIBJGASXYTP-AWEZNQCLSA-N 331.379 3.048 30 40 EGEB C[C@H]1CCCCN1c1ccc(N(C)C(=O)C(F)(F)F)cc1C#N 226280295 AUYUUTMSUMPBSL-NSHDSACASA-N 325.334 3.462 30 40 EGEB C=CCN(CC(F)(F)F)C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 58393788 ZKZKHYVESLOWFY-HNNXBMFYSA-N 343.345 3.435 30 40 EGEB CC(=O)O/N=C/c1ccc(OCc2nc3ccccc3nc2C)cc1 16265301 JXIYCLOKZDETJD-RGVLZGJSSA-N 335.363 3.414 30 40 EGEB C=C1[C@H](O)[C@@]23CC[C@@H]1C[C@@H]2[C@@]12CCC[C@](C)(CN(CCO)C1)[C@H]2CC3 100150486 KNYGXNFGZONVKK-KYMPNAOUSA-N 345.527 3.214 30 40 EGEB N#Cc1ccc(CS(=O)(=O)N[C@@H](c2cccs2)C2CC2)cc1 12888001 SOEYNWJGWPGQHK-MRXNPFEDSA-N 332.450 3.190 30 40 EGEB CC(=O)NCCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 69817907 XIZZNNNJTHHXPR-CYBMUJFWSA-N 347.827 3.166 30 40 EGEB N#Cc1ccc(NC(=O)[C@H]2CCCCN2C(=O)c2cccs2)cc1 12939510 HYCLGCZFZLCEJY-OAHLLOKOSA-N 339.420 3.253 30 40 EGEB Cc1cc(=O)oc2cc(NC(=O)[C@H](C)Oc3ccc(C#N)cc3)ccc12 13007825 QQCNSASWUPNUMB-ZDUSSCGKSA-N 348.358 3.379 30 40 EGEB C#CCNC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3)c2s1 17797367 MFGMZQDPDDEGLG-UHFFFAOYSA-N 343.839 3.471 30 40 EGEB CN(Cc1ccc(Cl)s1)c1ncnc2c1cnn2CCC#N 65519828 ZZBGNRYFSKGIFU-UHFFFAOYSA-N 332.820 3.091 30 40 EGEB COc1cc(/C=C/C(=O)NCc2ccc(F)cc2)ccc1OCC#N 6647489 VNDQDLPTGRXEDR-WEVVVXLNSA-N 340.354 3.066 30 40 EGEB C#CCNC(=O)CSc1ncnc2scc(-c3ccccc3)c12 9364576 AWKBEEKIZYWIOP-UHFFFAOYSA-N 339.445 3.200 30 40 EGEB N#C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1F)c1ccc(Cl)cc1 95418465 SBRXQLRRHQDHHL-HNNXBMFYSA-N 347.733 3.311 30 40 EGEB Cc1cc(C#N)ccc1C(=O)N[C@@H]1CCCN(c2cccc(F)c2)C1 123577305 ZVZDVAXBRCBTNY-QGZVFWFLSA-N 337.398 3.405 30 40 EGEB C=CCOC(=O)[C@@H](N)Cc1cn(C(=O)OC(C)(C)C)c2ccccc12 95748802 FVSKAYVWNOSHGX-HNNXBMFYSA-N 344.411 3.024 30 40 EGEB C=CCCC(=O)N1CCCC[C@@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 585113644 DFDAXEAXVWIOQJ-UONOGXRCSA-N 346.393 3.135 30 40 EGEB CC1=C/C(=N\S(=O)(=O)c2ccccc2)C(Cl)=C(Cl)C1=O 16779898 XHSSCGNXPDBRAN-MHWRWJLKSA-N 330.192 3.035 30 40 EGEB C[C@H]1CCc2c(sc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)O)c2C#N)C1 2748994 HPOIRISOGRLPBD-DRZSPHRISA-N 344.436 3.350 30 40 EGEB CC(C)(C#N)c1ccc(NC(=O)CCNC(=O)C2CCCC2)cc1 24618691 GGFMELOCPBVYHZ-UHFFFAOYSA-N 327.428 3.123 30 40 EGEB N#Cc1cccc(CN2CCC3(CC2)CC(Nc2ncccn2)C3)c1 108527593 UNPBCTNVBVNTJB-UHFFFAOYSA-N 333.439 3.205 30 40 EGEB Cc1ccc(C(=O)NC2CCN(c3c(F)cc(C#N)cc3F)CC2)o1 58281396 PCYXFOQNLIQEGK-UHFFFAOYSA-N 345.349 3.137 30 40 EGEB C[C@@H](Sc1ccccc1C(=O)O)C(=O)Nc1cccc(C#N)c1 12785823 CTGLMMATENYMOD-LLVKDONJSA-N 326.377 3.376 30 40 EGEB O=C(/C=C/c1ccc2c(c1)OCCO2)c1cccc(N2CCCC2=O)c1 12926232 TWAXEKUQMWADGX-SOFGYWHQSA-N 349.386 3.481 30 40 EGEB CC(C)Cc1nc(OCC(=O)N2CCCCC2)c(C#N)c2c1CCC2 13687659 DSVYWPLTOPEJFX-UHFFFAOYSA-N 341.455 3.032 30 40 EGEB COc1ccc(/C=N\Nc2c([N+](=O)[O-])cc(C)cc2[N+](=O)[O-])cc1 31723611 NLLNZKFNLPRGFW-SXGWCWSVSA-N 330.300 3.266 30 40 EGEB C=CCOc1ccc(Br)cc1C(=S)N1CCOCC1 33649615 JKKZHQXDCJKXNE-UHFFFAOYSA-N 342.258 3.022 30 40 EGEB N#CC1(c2ccc(-c3cc(C(=O)O)ccc3CO)cc2)CCOCC1 566865823 DZQZQWVVJGIUGN-UHFFFAOYSA-N 337.375 3.116 30 40 EGEB N#Cc1cc(N)c(N2CCN(Cc3ccccc3)CC2)n1C1CCCC1 225871940 NVVOSANUAWAWOO-UHFFFAOYSA-N 349.482 3.379 30 40 EGEB C#C[C@@H](NC(=O)c1cccc(SC(F)(F)F)c1)[C@H]1CCCO1 583651830 UBVWEBNZSIHDEU-CHWSQXEVSA-N 329.343 3.209 30 40 EGEB C[C@@H](c1ccc(Cl)cc1)N1CCN(C[C@H](C#N)CCC#N)CC1 96435794 UASGDTMLBJVORM-HOTGVXAUSA-N 330.863 3.462 30 40 EGEB N#Cc1ccccc1OCc1ccc(C(=O)NCCc2ccco2)o1 48169095 YZBDPBGTNQSYDZ-UHFFFAOYSA-N 336.347 3.296 30 40 EGEB COc1ccccc1CC/C(C)=N/NS(=O)(=O)c1ccc(C)cc1 5082189 QZMXNQDKDHPSHH-XDJHFCHBSA-N 346.452 3.291 30 40 EGEB N#Cc1nccnc1O[C@H]1CC[C@H](NC(=O)CC2CCCCC2)CC1 252538298 MWWTYTZHYUZQKP-WKILWMFISA-N 342.443 3.125 30 40 EGEB COc1ccc(/C(O)=C2\C(=O)C(=O)N[C@H]2c2ccc(Cl)cc2)cc1 104086410 ABGGTNMUHGQYRI-IDTYTIONSA-N 343.766 3.058 30 40 EGEB N#Cc1ccc(OCCN2CCN(C/C=C/c3ccccc3)CC2)cc1 32652223 CZEXNGFYJWKHLM-QPJJXVBHSA-N 347.462 3.268 30 40 EGEB CCc1ccc(CN(C)CC(=O)N(CCC#N)Cc2ccco2)cc1 32751360 CGGCXIBWEPPWSR-UHFFFAOYSA-N 339.439 3.216 30 40 EGEB O=C1/C(=C/c2ccc(O)c(Br)c2)Oc2cc(O)ccc21 71813691 JESIXYXLFKMDAO-NSIKDUERSA-N 333.137 3.477 30 40 EGEB N#C[C@@H](C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)c1nc2ccccc2[nH]1 41494881 TWUZKOHBKAUWEP-STQMWFEESA-N 348.337 3.004 30 40 EGEB Cc1cc(C(=O)OCC(=O)Nc2ccccc2C#N)c2ccccc2n1 3338675 NMRQJWKOXQTVHI-UHFFFAOYSA-N 345.358 3.210 30 40 EGEB C=CCN1C(=O)N/C(=C/c2cc(Cl)c(OCC)c(Cl)c2)C1=O 409123773 DTJGSTQVWXXNDC-XYOKQWHBSA-N 341.194 3.471 30 40 EGEB COc1ccnc(Oc2ccc(Cl)cc2)c1C(=O)/N=C/N(C)C 4024314 JHWLFFKLJMAWEI-VXLYETTFSA-N 333.775 3.266 30 40 EGEB CCN(CC(=O)Nc1ccccc1OC)Cc1ccc(C#N)cc1F 8936875 PZMKCBANMGPVRT-UHFFFAOYSA-N 341.386 3.167 30 40 EGEB CC[C@@H](C)Oc1ccc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 409408209 WWGVWMDHWYSXDJ-YOQCSXPPSA-N 338.407 3.005 30 40 EGEB CC[C@@H](OC1CCCC1)/C(O)=N/S(=O)(=O)c1sc(C)nc1C 83150733 KZMKQNTZHWVYNB-GFCCVEGCSA-N 346.474 3.143 30 40 EGEB N#Cc1nc(-c2ccc(F)cc2)oc1S(=O)(=O)c1ccccc1 27663331 CZYJEYLKBFGDBH-UHFFFAOYSA-N 328.324 3.185 30 40 EGEB CN(C)C[C@H]1CCN(C(=O)c2ccccc2Oc2ccccc2C#N)C1 97047327 DKTNAUDDEQEKNN-MRXNPFEDSA-N 349.434 3.374 30 40 EGEB N#Cc1cnn(-c2cccc(C(=O)N3CCC[C@@H]3C3CCCC3)c2)c1N 95394612 ZKMFJUYKGVZUFK-GOSISDBHSA-N 349.438 3.121 30 40 EGEB CN(C)c1ccc(/N=C\c2ccc(N3CCOCC3)c(F)c2)cc1 409140215 GKZVHRJCSFWGNA-STZFKDTASA-N 327.403 3.479 30 40 EGEB CC1CCN(c2nc(SCCO)c(C#N)c3c2CCCC3)CC1 20573527 HCYYOESCDWQHLP-UHFFFAOYSA-N 331.485 3.153 30 40 EGEB N#Cc1cccc(CNc2cccc(C(=O)N3CCC[C@H](CO)C3)c2)c1 96453549 KNWLOIZHRJFZOK-SFHVURJKSA-N 349.434 3.015 30 40 EGEB Cc1cc(S(=O)(=O)/N=C(\O)Cc2c(F)cccc2F)c(C)o1 97231257 LDGRRHMMAYFDHL-UHFFFAOYSA-N 329.324 3.063 30 40 EGEB N#CCCN(Cc1ccc(C#N)cc1Br)C[C@H]1CCOC1 96496405 GHDQRAGBWKDKGQ-CQSZACIVSA-N 348.244 3.073 30 40 EGEB C=CCNC(=O)N1CCC(c2ncc(-c3ccc(F)c(F)c3)[nH]2)CC1 58178092 AZRYUJCQFMYPCB-UHFFFAOYSA-N 346.381 3.430 30 40 EGEB C#Cc1cccc(NC(=O)CNC(=O)CCc2cccc(Cl)c2)c1 58136743 PWCGXEUSAZRKDL-UHFFFAOYSA-N 340.810 3.009 30 40 EGEB C=CCNC(=O)c1c(N)n(-c2ccccc2)c2nc3ccccc3nc12 2294319 RFKIRQFARNGTLX-UHFFFAOYSA-N 343.390 3.072 30 40 EGEB O=c1c2ccccc2nc(N/N=C/c2cccnc2)n1-c1ccccc1 5775943 YSCWOVBKJIYNRC-HYARGMPZSA-N 341.374 3.227 30 40 EGEB CC[C@H](CC#N)NC(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1 157615198 HUDJWHMVDIYUIL-CLTRCRFRSA-N 333.335 3.128 30 40 EGEB C=CCc1cc(OC)ccc1OC[C@H](O)CN1C[C@@H](C)C[C@@H](C)C1 6008124 UQCLISNAFXATMP-SOLBZPMBSA-N 333.472 3.141 30 40 EGEB CCSc1nc(N)c(C#N)c(-c2ccc(OC(C)=O)cc2)c1C#N 20841471 RGVHNBRVQKJEDT-UHFFFAOYSA-N 338.392 3.111 30 40 EGEB Cc1ccc(C#N)c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1 4903561 ZDZPGFOCACTELE-UHFFFAOYSA-N 342.380 3.209 30 40 EGEB C[C@H](C(=O)Nc1ccccc1C#N)N(C)Cc1ccc(F)cc1F 24952831 IJBFMGZNTASHMB-GFCCVEGCSA-N 329.350 3.295 30 40 EGEB CC(C)[C@](C)(C#N)NC(=O)CNc1cccc(NC(=O)C(C)(C)C)c1 43566407 UXMSEZKVBABAOT-IBGZPJMESA-N 344.459 3.138 30 40 EGEB CCOc1ccc(-c2c(C)sc3ncn(CC#N)c(=O)c23)cc1 1945113 AGFXDNBRMNSVAF-UHFFFAOYSA-N 325.393 3.356 30 40 EGEB Cc1noc(C)c1CON=C1CCN(C(=O)Nc2ccccc2)CC1 25150975 ZWZAQPQOOLSQCZ-UHFFFAOYSA-N 342.399 3.492 30 40 EGEB CN(C/C(O)=N/c1nncs1)Cc1csc(Br)c1 49001644 SZBVURUDKQBECO-UHFFFAOYSA-N 347.263 3.082 30 40 EGEB CO/N=C1\C[C@H](C)Cc2c1c(-c1ccc(OC)c(OC)c1)nn2C 5211520 SVAIKXZNZGDSLC-UTMALSRFSA-N 329.400 3.037 30 40 EGEB N#C[C@H](NC(=O)CC[C@@H]1Cc2ccccc2NC1=O)c1ccsc1 69629063 APGVLULAPBLNMB-CJNGLKHVSA-N 339.420 3.020 30 40 EGEB CSc1nc2n(n1)[C@H](c1cc(F)cc(F)c1)C1=C(CCCC1=O)N2 4488265 DLZSQWHOXSWOHZ-CQSZACIVSA-N 348.378 3.300 30 40 EGEB O=c1c2ccccc2nc(O)n1N=Cc1ccc(Cl)cc1Cl 409357953 LAGXALFVLVYGCC-UHFFFAOYSA-N 334.162 3.291 30 40 EGEB C=CCN1C(=O)/C(=C/c2cc(Cl)c3c(c2)OCO3)SC1=S 8054568 KLIYMSSDMGKJLK-WDZFZDKYSA-N 339.825 3.456 30 40 EGEB N#CCC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl 97097137 PLJQZBBVOLTUJR-CYBMUJFWSA-N 340.210 3.227 30 40 EGEB C=CCCO[C@H](C)C(=O)NCc1ccc(OCC(F)(F)F)cc1 71832984 IMKREXGGONFJHB-GFCCVEGCSA-N 331.334 3.225 30 40 EGEB CC(C)Oc1ccc(NC(=O)C(C)(C)Br)c(C#N)c1 225786878 RYAFQAXPPDVWNQ-UHFFFAOYSA-N 325.206 3.457 30 40 EGEB CC(C)n1cc(S(=O)(=O)N(c2cccc(C#N)c2)C2CCC2)cn1 585129720 SSDGZUXTQWIAKQ-UHFFFAOYSA-N 344.440 3.083 30 40 EGEB C#CCCCC(=O)N(C)Cc1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1 585130453 QIOBKGGHZHORQH-HDICACEKSA-N 342.483 3.058 30 40 EGEB CCc1ccc(-n2nnnc2/C(=C/N(C)C)C(=O)c2ccccc2)cc1 5477346 IHVMNFWJMUGWKV-NBVRZTHBSA-N 347.422 3.010 30 40 EGEB Cc1cc(Cl)cc(C#N)c1OCc1nnc([C@@H]2CCCOC2)o1 591599959 AUBPSLDQYYZLBY-LLVKDONJSA-N 333.775 3.376 30 40 EGEB C[C@@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1ccc(Cl)c(Cl)c1 6606870 KDVHMJXEJIHLMJ-QLJPJBMISA-N 340.254 3.452 30 40 EGEB O=[N+]([O-])c1cccc(/C=N/n2cnnc2SCc2ccccc2)c1 147609 ZJQRSDKVCNVIME-VCHYOVAHSA-N 339.380 3.361 30 40 EGEB Cc1nnc(NCc2cc(Cl)c3c(c2)OCCCO3)c(C#N)c1C 29427393 JASQHETUOVGBKT-UHFFFAOYSA-N 344.802 3.392 30 40 EGEB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)/N=C(\O)[C@@H](C)SC(C)C 58175147 YHHRATDMCMLHIL-SNVBAGLBSA-N 346.430 3.079 30 40 EGEB C[C@H](Nc1c(F)cc(C#N)cc1F)c1ccc(S(C)(=O)=O)cc1 58297057 ZOMKGYYNVSGHHV-JTQLQIEISA-N 336.363 3.413 30 40 EGEB N#Cc1cccc(S(=O)(=O)N(Cc2ccccc2F)C2CC2)c1 12976477 OESMMFGKGXXRCA-UHFFFAOYSA-N 330.384 3.051 30 40 EGEB CN1CCc2nc(N)c(C#N)c(-c3ccc(Cl)c(Cl)c3)c2C1 18222905 MCFIXSQDXBEXOJ-UHFFFAOYSA-N 333.222 3.497 30 40 EGEB Cc1ccc(C[C@@H]2S/C(=N\N=C\c3ccccc3)NC2=O)cc1C 6054349 PBVHAPDKQXTLBV-RONKMWSCSA-N 337.448 3.468 30 40 EGEB COc1ccc(-c2cs/c(=N\N=C\c3ccc(O)cc3)[nH]2)cc1 6646861 TWUOEBNIQNIVFW-VCHYOVAHSA-N 325.393 3.392 30 40 EGEB N#CC1(C(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)CCCC1 66687382 SSMVEYFUKXVCBO-OAHLLOKOSA-N 336.794 3.463 30 40 EGEB N#Cc1ccc(OC[C@H](O)CN2CCC[C@@H]2c2ccsc2)cc1 71850382 IIFXTTHDPMJCMI-SJLPKXTDSA-N 328.437 3.197 30 40 EGEB N#CC1(NC(=O)CN(Cc2ccco2)Cc2cccs2)CCCC1 7580887 JZQRZIOIMGBPHP-UHFFFAOYSA-N 343.452 3.296 30 40 EGEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1C[C@@H](C)Oc2ncccc21 195579179 RVXWFPQZMLQPKX-GFCCVEGCSA-N 348.362 3.073 30 40 EGEB COc1ccccc1-n1nc(C#N)c(N2CC[C@@H](c3ccccc3)C2)n1 256046983 JLAYLNLITQXQTI-MRXNPFEDSA-N 345.406 3.141 30 40 EGEB COc1ccc(CC/C(O)=N/S(=O)(=O)c2cccs2)cc1F 48448015 NYZQATFYDVMBMR-UHFFFAOYSA-N 343.401 3.174 30 40 EGEB C=CCO[C@@H](C)C(=O)N1CCC[C@@H]1c1nc(-c2ccccc2F)c[nH]1 72292899 NANOFHSEEWFBQJ-SUMWQHHRSA-N 343.402 3.470 30 40 EGEB C/C(=N\NC(=S)NCCc1ccccc1)c1cccc([N+](=O)[O-])c1 5638729 NRJSSHYGUIMIFW-CPNJWEJPSA-N 342.424 3.026 30 40 EGEB C=CCC1(CC=C)CCN1C(=O)c1sc2ncn(C)c(=O)c2c1C 12290584 RYLOYFXXCGJGQQ-UHFFFAOYSA-N 343.452 3.040 30 40 EGEB Cc1ccccc1SCC(=O)OCC(=O)Nc1cccc(C#N)c1 4415601 IXSAJQZLBCEFPX-UHFFFAOYSA-N 340.404 3.141 30 40 EGEB C=CCN1C(=O)CCC12CCC(NC(=O)[C@@]1(C)CC=CCC1)CC2 2055819335 DYDXDIRIYDJLKV-AJPWXKBRSA-N 330.472 3.339 30 40 EGEB N#Cc1ccccc1OCC(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F 22912743 UMRSOCCZEXSEGU-QWHCGFSZSA-N 326.318 3.174 30 40 EGEB Cc1ccc(C(=O)N2CCN(Cc3ccc(C#N)cc3F)CC2)s1 55929574 DGGUOAHLODLOFH-UHFFFAOYSA-N 343.427 3.025 30 40 EGEB C=CCNC(=O)c1ccccc1NC(=O)COc1ccc(Cl)cc1 3383982 JCDPYWGLOWCTPH-UHFFFAOYSA-N 344.798 3.273 30 40 EGEB N#C[C@H](NC(=O)[C@@H]1CC(=O)Nc2ccccc21)c1cccc(Cl)c1 69892914 BPYYXSRIVFOOMN-ZBFHGGJFSA-N 339.782 3.147 30 40 EGEB C[C@@H]1CCCC[C@H]1NC(=O)CO/N=C/c1ccccc1OC(F)F 6047111 WPSYKOVAFMWVCN-SEXNOBHXSA-N 340.370 3.333 30 40 EGEB Cc1cc(C)n(CC(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)n1 66392190 WQDLBYDWKQCRSA-CYBMUJFWSA-N 337.210 3.188 30 40 EGEB C=CCSc1ncc(Cl)c(C(=O)NCc2ccc(OC)cc2)n1 6748036 JJPJTWLOKJMGQJ-UHFFFAOYSA-N 349.843 3.347 30 40 EGEB Cc1cc(NC(=O)CCCOc2ccccc2C)n(CCC#N)n1 68219114 QDAINDPMEXUMQO-UHFFFAOYSA-N 326.400 3.211 30 40 EGEB COCCN(Cc1ccc(C#N)cc1)[C@H]1CCN(Cc2ccccc2)C1 95457090 LCVFWSJQOUBLTJ-QFIPXVFZSA-N 349.478 3.281 30 40 EGEB N#Cc1ccc(F)c(CNC(=O)N2CCO[C@H](c3cccs3)C2)c1 89799978 IAAKXWBXJFWPIZ-HNNXBMFYSA-N 345.399 3.042 30 40 EGEB CC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@H]1c1ccc([N+](=O)[O-])o1 408731673 OSXMSJSPHMJNHF-INIZCTEOSA-N 341.323 3.322 30 40 EGEB N#CCOc1ccc(/C=C2\SC(=N)[C@H](c3nccs3)C2=O)cc1 137645468 JOAWWOPHDQWNGU-CHWKGXALSA-N 341.417 3.463 30 40 EGEB Clc1ccc2ncnc(O/N=C/c3ccc4c(c3)OCO4)c2c1 33909 ZWFVTBACPFCGDX-IFRROFPPSA-N 327.727 3.425 30 40 EGEB CCOc1ccc(/N=C2/NC(=O)/C(=C\c3cccn3C)S2)cc1 5376791 HEOGPFVHQVLTAE-RVDMUPIBSA-N 327.409 3.315 30 40 EGEB CC1(C)CC(=O)C=C(NCCCCNC2=CC(=O)CC(C)(C)C2)C1 13144546 BVWGELIWLYXWQS-UHFFFAOYSA-N 332.488 3.492 30 40 EGEB CCOC(=O)[C@H](C#N)c1cc(Br)cc(Br)c1 1776010878 VRQNYTLGSOXMHM-SNVBAGLBSA-N 347.006 3.382 30 40 EGEB N#Cc1ccc(C(=O)NCC2(c3ccc(F)cc3)CCOCC2)cc1 16971556 NTEGGWIWPTXVKU-UHFFFAOYSA-N 338.382 3.176 30 40 EGEB COc1cccc(/C=C2\CCc3c(cnn3C)C2=O)c1OC(C)C 40116043 BQOQSIPEUWRZHW-JLHYYAGUSA-N 326.396 3.428 30 40 EGEB O=C1Nc2ccccc2/C1=N\N=C(\Nc1ccccc1)c1ccccn1 135578 LMLVHHSDEHXFDZ-UHFFFAOYSA-N 341.374 3.297 30 40 EGEB CC(=O)Oc1ccc2c(c1)[C@@H]1c3ccccc3[C@H]2[C@H]2C(=O)C=CC(=O)[C@H]12 4697448 JSOZWJZOWBXDAX-CIAFKFPVSA-N 344.366 3.143 30 40 EGEB N#CC1(C#N)[C@H]2CCCC[C@@]23OC(=N)[C@]1(C#N)[C@@H](c1cccs1)O3 6192262 BVAZBPHICLDVKX-UTJXIGIESA-N 338.392 3.257 30 40 EGEB CCC[C@]1(c2ccccc2)NC(=O)N(Cc2ccccc2C#N)C1=O 7981886 RFBKXFDNZRIQTJ-HXUWFJFHSA-N 333.391 3.306 30 40 EGEB C=C(C)Cn1c(CCNC(=O)COc2ccccc2)nc2ccccc21 2721467 LPTDLAWSHSXTPU-UHFFFAOYSA-N 349.434 3.350 30 40 EGEB N#Cc1cccc(CNC2CCN(C(=O)c3ccccc3F)CC2)c1 77170513 ZTFDIKKNKQFAPM-UHFFFAOYSA-N 337.398 3.092 30 40 EGEB C=CCNc1oc(COc2ccc(Br)cc2)nc1C#N 1805370 GXLFPQVEWNHFTC-UHFFFAOYSA-N 334.173 3.486 30 40 EGEB O=C(/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc(O)c1 12679923 XKUGMWYLLZYDIS-SNAWJCMRSA-N 327.292 3.063 30 40 EGEB Oc1nc(N/N=C/C=C/c2ccccc2)nnc1Cc1ccccc1 13773527 UIPWFQJPDWQLIA-BDPZUMOYSA-N 331.379 3.279 30 40 EGEB COc1ccc(/C=C/C(=O)c2ccc(N3CCCC3=O)cc2)cc1O 5335619 SOEXXZJCJASEEY-ONNFQVAWSA-N 337.375 3.424 30 40 EGEB Cn1cc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cn1 69202956 SVVMSWZGTVEUGQ-UHFFFAOYSA-N 347.378 3.406 30 40 EGEB C=CCO[C@@H](C)C(=O)N1CCC[C@H]1c1nc(-c2ccccc2F)c[nH]1 72292901 NANOFHSEEWFBQJ-GUYCJALGSA-N 343.402 3.470 30 40 EGEB Cc1csc([C@@H](C#N)C(=O)c2ccc3c(c2)NC(=O)CCS3)n1 41520784 RHBMFEZZBOJMIU-NSHDSACASA-N 343.433 3.376 30 40 EGEB C=CC[C@H](NC(=O)/C=C/c1ccc2c(c1)OCCO2)c1ccncc1 89893934 WAPOATRXCHYRIZ-UABRLCRWSA-N 336.391 3.300 30 40 EGEB O=C(O)c1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1 409036392 RFGXTYCPERBQIV-IPKBDRFQSA-N 332.175 3.099 30 40 EGEB N#CCCn1c2c(sc1=O)[C@@H]1c3ccccc3OC[C@@H]1CS2 32594745 KWSCKUKCRVAFGH-MFKMUULPSA-N 330.434 3.070 30 40 EGEB CCOc1ccccc1NC(=O)NCC#CCN(C(C)C)C(C)C 75164527 KOUWNVXRSOSRFH-UHFFFAOYSA-N 331.460 3.329 30 40 EGEB COC1(C(=O)Nc2ccc(OC(C)=O)c(C#N)c2)CCC(C)CC1 225811251 VQRKZMHDELEELH-UHFFFAOYSA-N 330.384 3.017 30 40 EGEB N#C[C@@H]1CCCC[C@@H]1OC(=O)CCN1C(=O)CCc2cc(F)ccc21 96441997 ZJJNQXMLKNEZEG-YOEHRIQHSA-N 344.386 3.121 30 40 EGEB CCS(=O)(=O)c1cnc(S)c(C#N)c1-c1cccc(Cl)c1 96510088 MDYOEWGEXYDIQB-UHFFFAOYSA-N 338.841 3.356 30 40 EGEB O=C(NCCCCn1ccnc1)c1ccc(C#Cc2ccccc2)cc1 617350275 UEWALDODOXGGFT-UHFFFAOYSA-N 343.430 3.493 30 40 EGEB Cc1sc2ccccc2c1S(=O)(=O)Nc1ccc(C#N)cn1 84919775 SUDKMAHJWPXQMM-UHFFFAOYSA-N 329.406 3.277 30 40 EGEB COc1ccc(-c2cs/c(=N\N=C/c3ccc(O)cc3)[nH]2)cc1 23211993 TWUOEBNIQNIVFW-ZDLGFXPLSA-N 325.393 3.392 30 40 EGEB N#Cc1ccc(Nc2cccc(CN3CCOC3=O)c2)c([N+](=O)[O-])c1 40153739 AXCIOVIYAYWGIU-UHFFFAOYSA-N 338.323 3.162 30 40 EGEB O=C1C(Cl)=C/C(=N/S(=O)(=O)c2cccs2)c2ccccc21 100823096 IMMAGUZUMIZEEC-VBKFSLOCSA-N 337.809 3.245 30 40 EGEB C#CCOc1ccc2ccccc2c1/C=C1\S/C(=N/C)N(C)C1=O 103845703 GYSIBJWIMJIDCS-QLJNEMMGSA-N 336.416 3.384 30 40 EGEB C[C@](C#N)(NC(=O)CSc1ncc(-c2ccccc2)o1)C1CC1 58197112 WPUDZVAIEHTGFO-QGZVFWFLSA-N 327.409 3.242 30 40 EGEB CC(=O)c1c(C)[nH]c(C(=O)OCc2cn3ccccc3c2C#N)c1C 48300771 BGPKHLJTUREWHU-UHFFFAOYSA-N 335.363 3.316 30 40 EGEB CCOc1ccc(/C=N/c2sc3c(c2C#N)CCN(C)C3)c(O)c1 4150659 CIZNKRMVXAJZDP-KEBDBYFISA-N 341.436 3.463 30 40 EGEB C=CCn1c(S)nnc1-c1sc(NC(=O)[C@H](C)CC)nc1C 66621205 WSMYKLOEMDWLPX-MRVPVSSYSA-N 337.474 3.169 30 40 EGEB NC1=NN(c2ccccc2)C(=O)/C1=N/Nc1ccc(Cl)c(Cl)c1 5999803 JPOWSUBYQGQMIX-DEDYPNTBSA-N 348.193 3.080 30 40 EGEB C=CCn1c(C)cc(C(=O)COn2nnc3ccc(Cl)cc32)c1C 7985133 QNJGLPZDTMYMIM-UHFFFAOYSA-N 344.802 3.001 30 40 EGEB COc1ccc(CNCC2(O)CCCCC2)cc1OCCCC#N 71924562 NVRVAVNOVQWQJD-UHFFFAOYSA-N 332.444 3.163 30 40 EGEB CCCN(Cc1ccc(C#N)cc1)Cc1nc2ccccc2[nH]c1=O 97201536 UHJBMNHEXKPFSQ-UHFFFAOYSA-N 332.407 3.207 30 40 EGEB Cc1ccc(C[C@@H](NC(=O)c2ccc(C#N)cn2)c2ccccn2)cc1 79360576 UWSSLNCRCBZBPZ-HXUWFJFHSA-N 342.402 3.371 30 40 EGEB N#Cc1cc(F)c(C(=O)NCc2cc(-c3ccccc3)on2)c(F)c1 130764078 FYDPZUDAHNLWLK-UHFFFAOYSA-N 339.301 3.421 30 40 EGEB C=C(C)C[C@@H](C)C(=O)NC1CCN(Cc2cccc(OC)c2)CC1 584908658 IJHYZCDRUSLKIL-MRXNPFEDSA-N 330.472 3.378 30 40 EGEB Cc1cc(C(=O)Nc2ncc(C#N)s2)c2c(C(C)C)noc2n1 585136593 MDVIBZKTSASVCI-UHFFFAOYSA-N 327.369 3.235 30 40 EGEB Cc1c(C#N)cccc1NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)O)C1(C)C 593955846 DAYVMWDUJKUMFO-FPMFFAJLSA-N 329.400 3.124 30 40 EGEB CCC(=O)Nc1cccc(C(=O)N[C@@H](C#N)c2ccc(F)cc2F)c1 68416290 NCGGYXAJYGITPQ-INIZCTEOSA-N 343.333 3.308 30 40 EGEB Brc1ccccc1/C=N\N1CCN(c2ccccn2)CC1 15658567 PNRMBEJYEILTKO-UYRXBGFRSA-N 345.244 3.000 30 40 EGEB C/C(O)=C1\C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1ccccc1Cl 101153015 SKFGOTGSZHLBBM-SFKKXYGYSA-N 342.782 3.220 30 40 EGEB C#CCN1CCC(C(=O)Nc2cc(C(C)(C)C)sc2C#N)CC1 91208527 RICWXAFBPSXOCM-UHFFFAOYSA-N 329.469 3.201 30 40 EGEB CC1(C)Cc2c(sc(NC(=O)NCc3ccccn3)c2C#N)CO1 6672069 CAPUVMMTOBQMBT-UHFFFAOYSA-N 342.424 3.188 30 40 EGEB O=C1/C(=C/c2ccccc2)CCC[C@H]1[C@@]1(O)C(=O)Nc2ccccc21 55175158 KUCATJLZZZMPTP-KETOAJNGSA-N 333.387 3.279 30 40 EGEB COC[C@@H](C)n1c(C)cc(C(=O)COc2ccccc2C#N)c1C 8313395 XGHOORFABNEYQN-CQSZACIVSA-N 326.396 3.446 30 40 EGEB COC(=O)CCn1nc(C)c(/C=C/C(=O)c2ccc(C)cc2)c1C 58344337 BJFQMJZCODUZJZ-MDZDMXLPSA-N 326.396 3.268 30 40 EGEB Cc1cc(C(=O)OCC(=O)N(CCC#N)c2ccccc2F)c(C)o1 28430554 FMGVWGLNGBTYKM-UHFFFAOYSA-N 344.342 3.139 30 40 EGEB Cc1ccc(C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)cc1 14163456 KHZKTRMNANGARB-LJQANCHMSA-N 337.398 3.157 30 40 EGEB Cc1cc(NC(=O)c2cnc(OC(C)C)c(Cl)c2)n(CCC#N)n1 65610280 DMRAYKFTSMLGJU-UHFFFAOYSA-N 347.806 3.193 30 40 EGEB CN1CCc2c(sc(/N=C/c3c[nH]c4ccccc34)c2C(N)=O)C1 4808361 UVLUETGYXKQLMD-ZVBGSRNCSA-N 338.436 3.067 30 40 EGEB COC(=O)c1ccc(/N=C/[C@@H]2C(=O)N(c3ccccc3)N=C2C)cc1 18251567 UWSSLMUBXJCYBF-RONKMWSCSA-N 335.363 3.214 30 40 EGEB CCN1C(=O)/C(=N\Nc2c(F)c(F)cc(F)c2F)c2ccccc21 7737733 JCGALACAQFWMTO-STZFKDTASA-N 337.276 3.426 30 40 EGEB C#Cc1cccc(NC(=O)NCCc2csc(N3CCCC3)n2)c1 71920183 BOSMERKWRNSCBE-UHFFFAOYSA-N 340.452 3.089 30 40 EGEB CCCCSCCC(=O)Nc1ccc(-n2cc(C#N)c(N)n2)cc1 95399737 ZDDIDKVYSWMNPC-UHFFFAOYSA-N 343.456 3.188 30 40 EGEB N#Cc1cccnc1NCCNC(=O)c1cccc(-c2ccoc2)c1 89780451 CRNGBRVUTLHQIC-UHFFFAOYSA-N 332.363 3.055 30 40 EGEB CCOc1cc([C@@H]2N=C(SC)N(C)C(C)=C2C(C)=O)ccc1O 408731094 KLRITWBGSPATJK-INIZCTEOSA-N 334.441 3.359 30 40 EGEB Cn1ccnc1Cn1c(C#N)cc(N)c1Oc1ccccc1Cl 225881189 FZSSCOUGRQATOS-UHFFFAOYSA-N 327.775 3.169 30 40 EGEB C=CCN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(F)cc1 224919708 AXKQLJFOCFTBQV-UHFFFAOYSA-N 327.327 3.485 30 40 EGEB N#Cc1ccc(C(=O)N2CC(OCc3cccc4ccccc34)C2)nc1 96449937 DJXNLLXNRWSOAP-UHFFFAOYSA-N 343.386 3.148 30 40 EGEB CC1=C2[C@@H]3OC(=O)[C@@H](C)[C@H]3CC[C@]2(C)C=C(Br)C1=O 5080588 QRONGANYXMWLQI-DVFYHVDRSA-N 325.202 3.142 30 40 EGEB CCCCCCCCCNC(=O)C(=O)NCc1cccc(OC)c1 408708221 VYRZIQOEPONNNI-UHFFFAOYSA-N 334.460 3.178 30 40 EGEB N#Cc1ccsc1NC(=O)COC(=O)/C=C/c1ccccc1Cl 6643912 WOJJJPGWLJWVHA-AATRIKPKSA-N 346.795 3.468 30 40 EGEB COc1cccc(C(=O)/C=C/c2cc(OC)c3c(c2OC)OCO3)c1 15106237 BCUUCVOMNSFJME-BQYQJAHWSA-N 342.347 3.337 30 40 EGEB COc1ccc(N2CCN(c3oc(CC(C)C)nc3C#N)CC2)cc1 1096513 LJRBYLBFJJZAOK-UHFFFAOYSA-N 340.427 3.080 30 40 EGEB C/C(=N\N=c1\sc2ccccc2n1C)c1ccc2c(c1)OCCO2 108023925 MZCRPVIJWNHPCY-WMNPJARVSA-N 339.420 3.336 30 40 EGEB C[C@@H]1C[C@@]2(C)C(=CC1=O)CC[C@H]1[C@@H]3CC[C@@](C)(O)[C@@]3(C)C[C@H](O)[C@@H]12 118934952 QYTBFAIVLHMSQG-GAUQLWQGSA-N 332.484 3.486 30 40 EGEB COc1cc(C#N)cc(Cl)c1OCC(=O)N1CCc2ccccc21 6126693 QSWYYKZCFWNHGZ-UHFFFAOYSA-N 342.782 3.188 30 40 EGEB N/N=C(\c1ccc([N+](=O)[O-])cc1)c1ncc(C(F)(F)F)cc1Cl 5512905 IBCIESJDAALVFR-RGVLZGJSSA-N 344.680 3.373 30 40 EGEB CCSc1ccc(C(=O)[C@H](C#N)C(=O)Nc2cccc(C)c2)cn1 171035931 WRGVWRXJYKHDOO-HNNXBMFYSA-N 339.420 3.463 30 40 EGEB CN(C)CCC[C@]1(c2ccc(F)cc2)O[C@H](O)c2cc(C#N)ccc21 34433141 LJPQJFHBFOOIHE-VQTJNVASSA-N 340.398 3.304 30 40 EGEB in-vitro Cc1ccc2c(c1)CC[C@@H](C(=O)N1C[C@@H](C#N)[C@H](c3ccccc3)C1)O2 329489175 SATFCQZWDISWTO-DYXWJJEUSA-N 346.430 3.454 30 40 EGEB C=CCn1cc(C(=O)OCC)c(=O)c2cc(C(F)(F)F)ccc21 199736467 XWSQNROIWXSJAE-UHFFFAOYSA-N 325.286 3.383 30 40 EGEB O=C1c2cccc3cccc(c23)C(=O)N1N=Cc1ccc2c(c1)OCO2 254813366 ISNIVSXIBKUIHU-UHFFFAOYSA-N 344.326 3.199 30 40 EGEB COc1cc(NC2CCN(c3ccnc(C#N)c3)CC2)cc(OC)c1 252490927 LFIGGQGWDBHTSM-UHFFFAOYSA-N 338.411 3.051 30 40 EGEB C#CCCCCCC(=O)Nc1ccc(C(=O)N=S(C)(C)=O)cc1 585124737 PXCFFOOLNIXILF-UHFFFAOYSA-N 334.441 3.077 30 40 EGEB CC1(C)OB(c2ccc(OCc3ccccc3)cc2C=O)OC1(C)C 725326208 ZOUSOMHXURBCGK-UHFFFAOYSA-N 338.212 3.377 30 40 EGEB CN(C)[C@H](CNC(=O)c1cccc(C#N)c1)c1cc2ccccc2o1 575620051 IEKJTKDTOPPULC-QGZVFWFLSA-N 333.391 3.337 30 40 EGEB O=C(O)C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2n1 32642014 PSAKHUYUMWVJHU-RVDMUPIBSA-N 348.314 3.337 30 40 EGEB O=C(c1ccccc1)[C@H]1O[C@]12C(=O)Nc1c(Cl)cc(Cl)cc12 1624360 FTUTYMVOKVWCIV-ZBFHGGJFSA-N 334.158 3.423 30 40 EGEB C[C@H]1C[C@H]1c1ccc(CN(C)S(=O)(=O)c2cccc(C#N)c2)o1 22246396 BMIJJLTZVHOGOO-BLLLJJGKSA-N 330.409 3.095 30 40 EGEB CSc1nc(C(=O)N(C)Cc2ccc(C#N)cc2)c2ccccn12 58278703 URKKTFDIBQHFHA-UHFFFAOYSA-N 336.420 3.200 30 40 EGEB COc1ccccc1[C@@H](C#N)NC(=O)CSc1ccc(F)c(F)c1 65552654 WYLDEKNXDLVORA-OAHLLOKOSA-N 348.374 3.447 30 40 EGEB N#C[C@H]1[C@@H](C#N)[C@H]2Sc3ccccc3N2[C@@H]1C(=O)c1ccccc1 4661604 SFLWOYGIMCMLGY-BDEJMISXSA-N 331.400 3.469 30 40 EGEB COc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)ccc1OCC#N 4704792 REJBIWHHEDFUDP-NTEUORMPSA-N 332.381 3.042 30 40 EGEB COc1ccc(CNC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1 7667295 TUXJQCJNNRZZAC-UHFFFAOYSA-N 335.363 3.189 30 40 EGEB C[C@H]1CC[C@@H](C)N1[C@@H]1CCCN(C(=O)CCc2ccc(C#N)cc2)C1 71830758 BSQCDQFQSOUOBZ-FUHIMQAGSA-N 339.483 3.355 30 40 EGEB N#Cc1ccccc1-c1ccccc1C(=O)N[C@@H]1CCc2nccn2C1 97197436 FQVHMWSWRDMMFO-MRXNPFEDSA-N 342.402 3.167 30 40 EGEB N#CCS(=O)(=O)N[C@H](Cc1ccccc1Cl)c1ccccc1 89826439 MSIIIMKVUBDXQF-MRXNPFEDSA-N 334.828 3.067 30 40 EGEB Cc1ccc(Nc2nnc([C@H](C#N)NC(=O)CC(C)C)s2)cc1 35681774 ALVGSGHACYAIDC-ZDUSSCGKSA-N 329.429 3.317 30 40 EGEB CCOC(=O)c1cccc(/N=C\c2cn(CC(N)=O)c3ccccc23)c1 409387133 ZTVLATZKVWWOAB-JJFYIABZSA-N 349.390 3.054 30 40 EGEB Cc1ccc(CNCc2ccc(C#N)o2)c(OC[C@H]2CCOC2)c1 88753661 KQWWXPMWNXPRCP-HNNXBMFYSA-N 326.396 3.165 30 40 EGEB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@H]4CCC[C@]4(C)CC[C@H]32)[C@@H]1O 253618222 LGMXWRFZIGLDKL-AYTGFYMKSA-N 346.467 3.421 30 40 EGEB C=CCOc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 14400098 HWAABOGHQBKIAG-UHFFFAOYSA-N 348.380 3.269 30 40 EGEB O=C1CCCC2=C1[C@H](c1cccnc1)n1nc(-c3ccccc3)nc1N2 66960 ZCRBSFQBTBIZCA-SFHVURJKSA-N 343.390 3.362 30 40 EGEB O=C1ON=C(c2ccc(Cl)cc2)/C1=C\c1ccc2c(c1)OCO2 100733719 BDYAXRKNUFVHHY-NTUHNPAUSA-N 327.723 3.413 30 40 EGEB Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)[C@H](C)C(C)(C)C 40511030 DFGASDYJXYTIOO-CQSZACIVSA-N 341.459 3.043 30 40 EGEB N#Cc1c(Cl)nsc1NCc1ccccc1CN1CCOCC1 51421507 NWYVYVWFODDNOB-UHFFFAOYSA-N 348.859 3.112 30 40 EGEB COc1cc(C#N)ccc1OCC(=O)N[C@@H](c1ccccc1)C1CC1 21618160 DQZGSMFUSORWKD-FQEVSTJZSA-N 336.391 3.213 30 40 EGEB N#C[C@H](Cc1cccnc1)C(=O)Nc1ccccc1Br 419713 LRYAVBUNBYKZQI-LBPRGKRZSA-N 330.185 3.165 30 40 EGEB C/C(=N\C(=N)Nc1nc(C)c2ccccc2n1)c1ccccc1C(=O)O 33889312 JHIINGHRYLKZFT-SRZZPIQSSA-N 347.378 3.492 30 40 EGEB C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC/C2=C\CO 118917855 SBMHTRUNPKWTLU-FNFQBNTHSA-N 330.468 3.408 30 40 EGEB N#Cc1cccc(NC(=O)c2ccccc2I)c1 3603829 XPVOANIQPHEJEH-UHFFFAOYSA-N 348.143 3.415 30 40 EGEB N#C[C@H](C(=O)/C=C/c1ccc(N2CCCC2=O)cc1)c1ccccn1 49456766 JLOLEJIZHVXXHI-YRYLYKBFSA-N 331.375 3.098 30 40 EGEB C[C@H]1CN(C(=O)NCC#Cc2ccccc2)C[C@@H](c2ccccc2)O1 67591317 FFSWFECADFKSLP-PXNSSMCTSA-N 334.419 3.210 30 40 EGEB COc1cc(N2CCOCC2)ccc1/C=N\c1ccc(N(C)C)cc1 409238486 DPSGQZBWFRELOM-QNGOZBTKSA-N 339.439 3.348 30 40 EGEB CCSC1(CNC(=O)C(C)(C)c2cccc(C#N)c2)CCOCC1 80436127 HIUYMVZBQSTPEI-UHFFFAOYSA-N 346.496 3.254 30 40 EGEB O=C(O)Cn1cc(C=C2C(=O)c3ccccc3C2=O)c2ccccc21 409142705 LJVIMWUJTASLSJ-UHFFFAOYSA-N 331.327 3.189 30 40 EGEB Cc1ccc2c(c1)nc1n2[C@@H](CNCc2ccc(C#N)cc2)COC1 96112806 YEJCOWCUOXYOEX-KRWDZBQOSA-N 332.407 3.078 30 40 EGEB biogenic,in-vitro C=CCO[C@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1ccc(F)c(Cl)c1 96042057 GCQLGWPLMNPDTN-HRCADAONSA-N 339.794 3.054 30 40 EGEB COC(=O)N1C[C@H]2CC[C@H]1[C@H](c1noc(C3(C#N)CCCCC3)n1)C2 585120395 LHDNFQCIDMXJHO-MJBXVCDLSA-N 344.415 3.129 30 40 EGEB S=C(NCc1ccccc1)NN=C1CCN(C2CCCCC2)CC1 63358842 PIKKTVCNTQJOPV-UHFFFAOYSA-N 344.528 3.435 30 40 EGEB Cc1nc2ccccc2nc1SCC(=O)N[C@@](C)(C#N)C(C)C 29282022 GCGMRQRNIGJTAG-KRWDZBQOSA-N 328.441 3.085 30 40 EGEB CCCc1nnc(SCC(=O)Nc2cc(Cl)ccc2C#N)o1 7605524 KQTDSZCGXJMMPY-UHFFFAOYSA-N 336.804 3.278 30 40 EGEB C[C@@H]1CCCN(C(=O)C2CCN(Cc3ccc(C#N)cc3)CC2)C1 48046516 AYOQHLLUVVYJIK-MRXNPFEDSA-N 325.456 3.029 30 40 EGEB CCOc1cc(C#N)ccc1O[C@H](C(=O)NC1CC1)c1ccccc1 12908886 SPJLRSDCMQYPLL-IBGZPJMESA-N 336.391 3.356 30 40 EGEB COc1ccc(C#N)cc1NC(=O)CC1(CC(=O)O)CCCCC1 64611659 BCMGNFZJZBOLDK-UHFFFAOYSA-N 330.384 3.321 30 40 EGEB C[C@H]1S/C(=N\N=C\c2ccco2)N(Cc2ccc(F)cc2)C1=O 6409364 PUNDVMYMRBBBEF-MWIMKKNQSA-N 331.372 3.273 30 40 EGEB CCOP(=O)(OCC)[C@@H](C#N)c1c(F)c(F)nc(F)c1F 4548769 ACOYGSVKZHBDHA-LURJTMIESA-N 326.186 3.469 30 40 EGEB CC(C)CCn1c(=O)c2ccccc2n2c(S[C@@H](C)C#N)nnc12 4500964 NPMVNBSKXGQIBT-LBPRGKRZSA-N 341.440 3.094 30 40 EGEB CCCNS(=O)(=O)c1ccc(C(=O)/C=C/c2ccsc2)cc1 7713836 GXYQTJMNYGVQBY-FPYGCLRLSA-N 335.450 3.333 30 40 EGEB Cc1cc([C@H](C#N)C(=O)[C@H](C)Oc2ccc(F)c(F)c2)nc(C)n1 68722488 JDGMCNZPNMMMIR-GWCFXTLKSA-N 331.322 3.015 30 40 EGEB C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[C@@]1(C#N)CCSC1 71915477 FWRJUMSLSWFSGI-IAQYHMDHSA-N 342.386 3.399 30 40 EGEB CCC[C@H](NC(=O)c1cc2ccccc2s1)/C(O)=N/c1ncn[nH]1 95404096 JUVQODRIPOWYTM-NSHDSACASA-N 343.412 3.206 30 40 EGEB CO[C@@]1(C(=O)Nc2ccc(OC(C)=O)cc2C#N)CCC[C@H](C)C1 225809578 FDUVUFGXEGWXOB-SGTLLEGYSA-N 330.384 3.017 30 40 EGEB CC(C)CSc1nc(N)c(C#N)c(COc2ccc(F)cc2)n1 223688701 MFCWCRVSHJKMPZ-UHFFFAOYSA-N 332.404 3.397 30 40 EGEB COc1cc2nc(C)sc2cc1N/C(O)=N/[C@H]1CCCCN=C1O 330032881 SYPFJAXHMOLNPX-JTQLQIEISA-N 348.428 3.448 30 40 EGEB CC1(C)CC(=O)N(CC(=O)Nc2cccc(C#N)c2)c2ccccc21 96183235 LYVVUNBWGSFZRX-UHFFFAOYSA-N 333.391 3.211 30 40 EGEB Cc1oc(=O)c(C(=O)/C=C/c2ccccc2)c(O)c1Br 96319400 ODBKARWWUQAORZ-BQYQJAHWSA-N 335.153 3.312 30 40 EGEB CCOC(=O)C1=C[C@@H](C2CC2)c2cc([N+](=O)[O-])c(Cl)cc2C1=O 255190035 UNRVHLFHMUFHHC-VIFPVBQESA-N 335.743 3.428 30 40 EGEB N#Cc1ncccc1N1CCN(c2cccc(Br)c2)CC1 357523514 BJMUYFJQJMVLJU-UHFFFAOYSA-N 343.228 3.042 30 40 EGEB N#Cc1ccc(OCC(=O)Nc2nnc(C3CCCCC3)s2)cc1 12897621 KGIHPMVPUZUQMF-UHFFFAOYSA-N 342.424 3.475 30 40 EGEB O=S(=O)(N/N=C/c1cc(Cl)cc(Cl)c1O)c1ccccc1 3153507 IDBFRGDHQALOHT-LZYBPNLTSA-N 345.207 3.011 30 40 EGEB Cc1cccc(/C=C2\SC(=O)N(Cc3ccccc3C#N)C2=O)n1 20418321 DTUAVJFNZZSBMJ-SXGWCWSVSA-N 335.388 3.498 30 40 EGEB CCOC(=O)COC1=C(c2ccccc2)C(=O)c2ccccc2C1=O 193941 BNPWEHIWQYFIAK-UHFFFAOYSA-N 336.343 3.057 30 40 EGEB C=CCOc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 7363492 CUJIBVDYMIMWIG-UHFFFAOYSA-N 348.380 3.269 30 40 EGEB N#C[C@@H](C(=O)C[C@@H](c1ccccc1)C(F)(F)F)C(=O)N1CCCC1 102766133 PYPUQLLKWOYTKB-KBPBESRZSA-N 338.329 3.054 30 40 EGEB COCCN(C(=O)c1cccc(C#N)c1)c1nc2ccccc2s1 24754138 QZIFVMUKXQJHHP-UHFFFAOYSA-N 337.404 3.461 30 40 EGEB O=C(/C=C/Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1 107880925 KSIFTWWNZBMFTG-MDZDMXLPSA-N 326.371 3.471 30 40 EGEB Cc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccccc1 44974037 UNSRNGSULWDDQC-HNNXBMFYSA-N 335.407 3.279 30 40 EGEB C=CCn1c(SCC(=O)Nc2cc(C)on2)nc2ccccc21 4485611 ODBRSTIDFLIBDP-UHFFFAOYSA-N 328.397 3.250 30 40 EGEB COc1cc(C#N)ccc1Oc1ccc(N[C@H]2C[C@H](C)OC2=O)cc1 71902662 QFHFYDGOMQULAA-LRDDRELGSA-N 338.363 3.475 30 40 EGEB C/N=C(/NCCc1c(C)noc1C)N(C)Cc1cc2ccccc2o1 95964720 DTPIXMFLYLVRHP-UHFFFAOYSA-N 340.427 3.288 30 40 EGEB Oc1nc(=N/N=C/c2ccco2)n(-c2ccccc2)c2ccccc12 408732032 OIJIFWWVVMICHH-DEDYPNTBSA-N 330.347 3.259 30 40 EGEB CCOc1ccc(N(CCC#N)C(=O)c2cccc3c2OCO3)cc1 78718585 OIUMMPHPIYEXIN-UHFFFAOYSA-N 338.363 3.374 30 40 EGEB CCc1nnc([C@@H]2C(=N)S/C(=C\c3cccc(O)c3)C2=O)s1 135922907 HRXPNAAWMXNQCZ-AKYMWTFYSA-N 331.422 3.224 30 40 EGEB C/C(=C/c1csc(-c2ccccn2)n1)c1nc(C)c(C#N)c(=O)[nH]1 225719207 HEKJFECXKFRYEP-YFHOEESVSA-N 335.392 3.029 30 40 EGEB N#Cc1cccc(OCCNc2ccccc2N2CCC(O)CC2)c1 96427441 OYBBDHILAKCTKI-UHFFFAOYSA-N 337.423 3.010 30 40 EGEB C[C@@H](Nc1c(F)cc(C#N)cc1F)c1ccc(S(C)(=O)=O)cc1 58297060 ZOMKGYYNVSGHHV-SNVBAGLBSA-N 336.363 3.413 30 40 EGEB CS/C(=N/C1=Nc2ccccc2C1=O)NC1=Nc2ccccc2C1=O 3101439 FXIQRJOVIBXQMJ-UHFFFAOYSA-N 348.387 3.148 30 40 EGEB C#CCn1/c(=N\C(=O)c2cc(C)no2)sc2cc(SC)ccc21 101135208 ANYYRMSYNZMUTB-WUKNDPDISA-N 343.433 3.095 30 40 EGEB Cc1ccc(CNC(=O)[C@H](C#N)C(=O)CCc2ccsc2)cc1 101162180 PXOYEEMNVCLANN-MRXNPFEDSA-N 326.421 3.014 30 40 EGEB CCOC(=O)[C@@H](C#N)[C@@]1(Cc2ccccc2)C[C@H](C)N(C)C[C@@H]1C 341244 ISTLFIQBNBWVQL-JSFADZTLSA-N 328.456 3.278 30 40 EGEB CCOC(=O)c1ccccc1NC(=O)Cn1cc(C#N)c2ccccc21 51319064 PHZPSLBKKWRWAA-UHFFFAOYSA-N 347.374 3.328 30 40 EGEB CC(=O)O/N=C1\C(=O)N(Cc2cccc(Cl)c2)c2ccccc21 1401165 SUBVCYAJZNNWOH-MNDPQUGUSA-N 328.755 3.154 30 40 EGEB CCc1c(C(=O)N(CCC#N)Cc2ccco2)[nH]c(C)c1C(C)=O 58183357 FXMRHKQQBHJJJU-UHFFFAOYSA-N 327.384 3.237 30 40 EGEB Cc1ccc(OS(=O)(=O)c2ccccc2C#N)c2c1[C@@H](C)CC2=O 10664337 LIKCZZQOCYQUOO-LBPRGKRZSA-N 341.388 3.324 30 40 EGEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCCC[C@@H]4CO)[C@H]3C[C@@H]12 4046979 WNVZVCLBASTOLF-OETXXJDVSA-N 347.499 3.147 30 40 EGEB biogenic COc1cn(-c2ccccc2)nc1C(=O)OCc1ccc(C#N)cc1 6651967 QKXQDXPKZMOUPX-UHFFFAOYSA-N 333.347 3.110 30 40 EGEB N#Cc1c(Cl)nsc1N1CCC[C@@H]1c1nnc2n1CCCCC2 69768938 CIHRHKCKDUNCGL-LLVKDONJSA-N 348.863 3.328 30 40 EGEB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N/Nc1ccc([N+](=O)[O-])cc1 408741810 SCCYAVDLHFKDIJ-GYKGCMEESA-N 337.339 3.031 30 40 EGEB Cc1ccc(Cl)cc1N1CCN(C(=O)c2cccc(C#N)c2)CC1 7724519 HSSSSDUCODYDDQ-UHFFFAOYSA-N 339.826 3.483 30 40 EGEB C=CCOc1cc(OC)ccc1C(=O)N1CCC(c2ccn[nH]2)CC1 97380069 ROMJJSWOTFKNRZ-UHFFFAOYSA-N 341.411 3.003 30 40 EGEB CCCCCCCCCNC(=O)C(=O)Nc1ccc2c(c1)OCO2 122446433 UQSKFGLDKXQGOD-UHFFFAOYSA-N 334.416 3.221 30 40 EGEB CC(=O)Nc1ccc(NC(=O)N(CCC#N)CC2CC2)c(Cl)c1 78566768 CTULCECHKIXSGV-UHFFFAOYSA-N 334.807 3.456 30 40 EGEB COc1cc2c(cc1OC)/C(=N/Nc1ccc(C)c(C)c1)C(=O)N2 223736976 FYURHMNLKCCIHN-UHFFFAOYSA-N 325.368 3.089 30 40 EGEB COc1cc(/C=C2\Cc3ccccc3C2=O)c([N+](=O)[O-])cc1OC 5128879 XBWYALTXEJFJHB-MDWZMJQESA-N 325.320 3.434 30 40 EGEB Cn1cc([C@H]2CN(C(=O)c3cccc(C#N)c3)Cc3ccccc32)cn1 575608504 NTLVKLSMDNGVFG-HXUWFJFHSA-N 342.402 3.080 30 40 EGEB Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)N(C)C1(C#N)CCC1 58381303 WMXVSUAWYCGVFS-VOTSOKGWSA-N 334.851 3.419 30 40 EGEB Cc1ccc(N2C(=O)C[C@H](C(=O)OCC#N)[C@@H]2c2cccs2)cc1 9539377 XWEUNSPWSBDCPE-WMLDXEAASA-N 340.404 3.218 30 40 EGEB CCOC[C@@]1(C#N)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 218034175 OVXFXDWJOZMFPC-QYZOEREBSA-N 341.432 3.173 30 40 EGEB COc1ccccc1/C=C/C(=O)c1ccc(S(C)(=O)=O)c(F)c1 96424789 JBUGKCJYMAGAFD-VQHVLOKHSA-N 334.368 3.134 30 40 EGEB CCN(Cc1ccccc1)c1nn(-c2ccccc2[N+](=O)[O-])nc1C#N 256048097 QSMWZGMPKSMKNV-UHFFFAOYSA-N 348.366 3.074 30 40 EGEB C=C(C)C(C)(C)C(=O)Nc1nccc(F)c1I 585126418 YSFXWGANUUZEQW-UHFFFAOYSA-N 348.159 3.366 30 40 EGEB CCSCCC(=O)OC1CCN(Cc2ccccc2C#N)CC1 69810750 WPDKIXKQJWQQRR-UHFFFAOYSA-N 332.469 3.209 30 40 EGEB O=c1c2c(-c3cccs3)csc2ncn1/N=C/c1ccccn1 1016326 MLSHIRBZNJJVJG-UFWORHAWSA-N 338.417 3.464 30 40 EGEB N#C[C@H](C(=O)[C@@H]1COc2ccccc2O1)c1nc2ccccc2s1 2649194 JJUWRDQJHCJIJZ-ABAIWWIYSA-N 336.372 3.313 30 40 EGEB Cc1cc(C(=O)[C@H](C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)nn1C 101253459 SDGDZPDYZJBIFZ-GFCCVEGCSA-N 340.770 3.069 30 40 EGEB N#Cc1ccc(COC(=O)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)c(F)c1 102575498 RFIOTIDVAJFSAE-CXTCDGGRSA-N 329.371 3.072 30 40 EGEB N#Cc1ccc(S(=O)(=O)/N=C(\O)Cc2ccccc2Cl)cc1 42303222 MTFQUEZSAVCNOE-UHFFFAOYSA-N 334.784 3.100 30 40 EGEB CN(C)C(=O)[C@H]1CCCN1Cc1ccc(-c2ccccc2C#N)cc1 12747638 CWKUYGCFKRZUNM-HXUWFJFHSA-N 333.435 3.278 30 40 EGEB C#CCCN1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 68444581 IFJSGUUMUOBCRH-UHFFFAOYSA-N 343.430 3.169 30 40 EGEB C=C[C@@H](C/C(O)=N/S(=O)(=O)c1c(C)noc1C)c1ccccc1 95443014 ZADSMTNUQINCQT-ZDUSSCGKSA-N 334.397 3.297 30 40 EGEB Cc1nnc(-c2cccc(C#N)c2)n1CCCOc1cccc(C#N)c1 89736161 UXEQUKBZDIYECX-UHFFFAOYSA-N 343.390 3.466 30 40 EGEB C[C@@H](NCc1nnc2n1CCC[C@H]2C(F)(F)F)c1ccc(C#N)cc1 89904756 UWJGBQLJVYPEKF-BXUZGUMPSA-N 349.360 3.440 30 40 EGEB N#Cc1cc(N2CC[C@@H]3C[C@@H]3C2)cc(N2CC[C@@H]3C[C@H]3C2)c1[N+](=O)[O-] 596509238 HLKVREIFYFQFAT-XOUADPBQSA-N 338.411 3.159 30 40 EGEB C=CCn1c(SCC(=O)NC(C)C)nnc1-c1cccc(C)c1 2655744 LXUYPLJQYHHCMU-UHFFFAOYSA-N 330.457 3.056 30 40 EGEB CC(C)OC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccccc1F 377711 DWMJSBVOVPMWER-HNNXBMFYSA-N 345.370 3.069 30 40 EGEB N#Cc1c(N)cc(N)nc1SCCOc1ccc2ccccc2c1 32827055 UJFOJVIZXIVTRC-UHFFFAOYSA-N 336.420 3.442 30 40 EGEB CC(=O)c1ccc(OCCC(=O)OCc2ccc(C#N)cc2F)cc1 32899857 MSVPXHQSVQNLKT-UHFFFAOYSA-N 341.338 3.412 30 40 EGEB C=CCn1c(C)nn(CN(CC)Cc2ccc(C#N)cc2F)c1=S 47404847 YMWYUQFPKQOJCF-UHFFFAOYSA-N 345.447 3.399 30 40 EGEB Cc1cc(C)nc(/N=C(/NC(=O)C(C)(C)C)Nc2ccccc2)n1 2291416 GVKYUWAZDGNSMI-UHFFFAOYSA-N 325.416 3.355 30 40 EGEB N#Cc1ccc(COC(=O)c2cccc(CN3CCCC3=O)c2)cc1 13046238 UQBGZPQHUZCXAC-UHFFFAOYSA-N 334.375 3.038 30 40 EGEB C[C@@H](c1ccc(NC(=O)c2cccc(C#N)c2)cc1)N1CCOCC1 69350678 XFVGOTVASDJWJM-HNNXBMFYSA-N 335.407 3.204 30 40 EGEB N#C[C@@]1(NC(=O)/C=C(/c2ccccc2)C(F)(F)F)CCSC1 96294981 PDGXNFVDNKRSGH-UNJUUPHPSA-N 326.343 3.148 30 40 EGEB Cc1nc(SCC(=O)NCCCOCC(C)C)c(C#N)c(C)c1C 71887452 FIWUJCUVPWIEPA-UHFFFAOYSA-N 349.500 3.150 30 40 EGEB C=C(C)COc1cccc(NC(=O)N2CC[S@](=O)C(C)(C)C2)c1 89914061 GSYVNNPLZQLQPV-HSZRJFAPSA-N 336.457 3.016 30 40 EGEB C=CCN(Cc1ccc(C(=O)O)cc1)S(=O)(=O)c1ccc(C)cc1 225147788 RIIUSROBEQJBJE-UHFFFAOYSA-N 345.420 3.070 30 40 EGEB Cc1cc(C)nc(SCC(=O)Nc2cc(Cl)ccc2C#N)n1 14152420 LCDOIABHZNNDCY-UHFFFAOYSA-N 332.816 3.349 30 40 EGEB CCOC(=O)[C@H]1CCCN(c2oc(-c3ccc(F)cc3)nc2C#N)C1 3293026 KZNRYEODLFQTHD-ZDUSSCGKSA-N 343.358 3.132 30 40 EGEB CCN(CC)C(=O)Cn1cc(C#N)c2cc(Br)ccc21 555402 INFKHEOQATWBAD-UHFFFAOYSA-N 334.217 3.144 30 40 EGEB O=[N+]([O-])c1cc2c(cc1/C=N/NCc1ccc(Cl)cc1)OCO2 10118902 PEROKFHZDZCNDN-QGMBQPNBSA-N 333.731 3.101 30 40 EGEB CCN(CC#N)C(=O)CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 103953947 HSUZQPSAKHAIRN-KCNJBTMXSA-N 339.277 3.482 30 40 EGEB Cc1cccc(NC(=O)C[C@@H]2S/C(=N/c3ccccc3)NC2=O)c1 12462818 SCUKWPHHDXDYBV-HNNXBMFYSA-N 339.420 3.243 30 40 EGEB Cc1ccc(N(CCC#N)C(=O)COC(=O)c2cc(C)oc2C)cc1 3359827 RLURDHOFIQOYBB-UHFFFAOYSA-N 340.379 3.309 30 40 EGEB N#CCCN(CCC#N)C(=O)c1cc(Br)ccc1Cl 37976155 FEBOTNBVFDHSNQ-UHFFFAOYSA-N 340.608 3.372 30 40 EGEB CN(C/C(O)=N/c1nncs1)Cc1cc(Br)cs1 48368283 KJSPOGBBGHPWEG-UHFFFAOYSA-N 347.263 3.082 30 40 EGEB C[C@H](Sc1nnc2n1CCCCC2)C(=O)Nc1sccc1C#N 8155992 QESOKHAWHGXIBG-JTQLQIEISA-N 347.469 3.057 30 40 EGEB CSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1ccccc1 4194078 MYGNPEXSQCEOSW-ZDUSSCGKSA-N 339.420 3.056 30 40 EGEB C=CCn1c(C)cc(C(=O)CSc2nc(CCC)cc(=O)[nH]2)c1C 14086627 IRBLWDCKPXDMHE-UHFFFAOYSA-N 345.468 3.302 30 40 EGEB COc1cc(Br)c(Br)c(C#N)c1OC(C)=O 20157683 BFBXDHDSNDPRSV-UHFFFAOYSA-N 348.978 3.017 30 40 EGEB C=CCOc1ccc(/C=C2\SC(=S)N(C)C2=O)cc1OCC 409328261 QVQNGPUWMMUDEF-UVTDQMKNSA-N 335.450 3.481 30 40 EGEB CCc1csc([C@H]2CCCN(C(=O)c3ccc(C#N)c(C)n3)C2)n1 72282221 MWDFXFCWBRIHTG-AWEZNQCLSA-N 340.452 3.300 30 40 EGEB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc(F)cc3)C2(C#N)C#N)cc1 218366667 KLGQLCVNOJYCMT-SJORKVTESA-N 340.379 3.107 30 40 EGEB N#Cc1cn(Cc2nccn2Cc2ccccc2)c2ccccc2c1=O 193490488 ADPJPQWNFGEDIB-UHFFFAOYSA-N 340.386 3.166 30 40 EGEB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1ccccc1C#N 30004639 IHKSVTDKHBWGEW-CQSZACIVSA-N 328.437 3.155 30 40 EGEB CCC[C@H](C)NC(=O)[C@@H]1CCCN(Cc2cc(C#N)ccc2F)C1 51052919 RMMLDTAWKSEUCN-GOEBONIOSA-N 331.435 3.214 30 40 EGEB COc1ccc(C)cc1C(=O)O[C@H](C)C(=O)Nc1sccc1C#N 7878656 OWPUETBUHIMSIT-LLVKDONJSA-N 344.392 3.121 30 40 EGEB CSc1c(C#N)c(N)nc2c(/N=N/c3ccc(F)cc3)c(N)nn12 3848832 OOYPEPMGAHUBRK-QZQOTICOSA-N 342.363 3.042 30 40 EGEB Cc1ccc(S(=O)(=O)O[C@@H]2[C@H]3[C@H]4S[C@H]5[C@H]2[C@@H]2[C@H]3CC[C@H]4[C@H]52)cc1 104055743 BNRVSUWIRICMPT-WXTPGPSKSA-N 348.489 3.085 30 40 EGEB COc1ccc(NC(=O)[C@H](C#N)C(=O)C=C2CCCCC2)cc1OC 103764314 XQFXMXJGRBLBBY-OAHLLOKOSA-N 342.395 3.242 30 40 EGEB Cc1nc(C)c(C#N)c(S[C@H](C)C(=O)Nc2ccccc2F)n1 25960235 SNDUNKQWJLYDQN-SNVBAGLBSA-N 330.388 3.224 30 40 EGEB COCCOc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1OC 44012981 RPPXGXOPUCDKIB-UHFFFAOYSA-N 338.359 3.183 30 40 EGEB COc1cc(C(=O)/C=C/c2ccc(C)cc2)ccc1S(C)(=O)=O 57789853 AJOKBBLPRAEKRK-CSKARUKUSA-N 330.405 3.303 30 40 EGEB CN(Cc1cnn(-c2ccccc2)c1)C(=O)CCc1ccc(C#N)cc1 10764022 TZPXXGPTDPJNCI-UHFFFAOYSA-N 344.418 3.335 30 40 EGEB Cc1cccc(N2C(=O)NC(=O)[C@@H](C=Nc3ccc(C)cc3C)C2=O)c1 408536823 SOYMDZDGCQTWDF-MRXNPFEDSA-N 349.390 3.213 30 40 EGEB CN(CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H](c1ccccc1)C(F)(F)F 70013515 QKRYVLWEGMEZFI-HOTGVXAUSA-N 339.361 3.030 30 40 EGEB C#CCn1c([C@H]2CC(=O)N(c3cccc(C)c3)C2)nc2ccccc21 14095087 OAJJILXWGGLLHB-INIZCTEOSA-N 329.403 3.498 30 40 EGEB CN(CC(=O)Nc1cccc(F)c1)Cc1cn2ccccc2c1C#N 14181440 LXWCKWKREXGBDN-UHFFFAOYSA-N 336.370 3.021 30 40 EGEB CCn1c(C)c(C=Nn2c(O)nc3ccccc3c2=O)c2ccccc21 409348191 OEEYSCUCPJBGMS-UHFFFAOYSA-N 346.390 3.267 30 40 EGEB C=CCSc1nc2cc(-c3cccc(OC)c3)sc2c(=O)n1N 19797138 VSUNJOULGRAYIB-UHFFFAOYSA-N 345.449 3.126 30 40 EGEB CCn1c(C)c(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c2ccccc21 409226183 SRODNOLNZOLWNW-ASSVNYGOSA-N 347.418 3.111 30 40 EGEB Cc1ccc(S(=O)(=O)[C@H]2[C@H](C=O)[C@@H]2c2ccc(Cl)cc2)cc1 218634991 JEMOGBHFOPSGNU-IKGGRYGDSA-N 334.824 3.403 30 40 EGEB CN(c1ccc(C#N)cc1F)C1CCN(CCc2ccccn2)CC1 195575146 YADQTDRMTDCISU-UHFFFAOYSA-N 338.430 3.236 30 40 EGEB C=CCOC[C@@H]1c2nnn(CC3CC3)c2CCN1Cc1ccsc1 96060588 ZFMDOSHLCAVIIT-QGZVFWFLSA-N 344.484 3.052 30 40 EGEB C=CCN1CCC[C@@]12CCCN(C(=O)c1cccc3cccnc13)C2 96071450 GNCLBDFLSICPHS-OAQYLSRUSA-N 335.451 3.491 30 40 EGEB O=C1N/C(=N/c2ccccc2)S/C1=C\c1ccc([N+](=O)[O-])cc1 1090333 FHWBDWXGIJHPJK-UVTDQMKNSA-N 325.349 3.486 30 40 EGEB Cc1cccc(N2CCN(CC[C@@H](C)Nc3ccc(C#N)cn3)CC2)c1 29621059 NMCDGRXMDXVMCN-GOSISDBHSA-N 349.482 3.274 30 40 EGEB COc1ccc(OC)c2c(N)c(C#N)c(C(F)(F)C(F)(F)F)nc12 36339 BGMUZNANPQUDEH-UHFFFAOYSA-N 347.243 3.360 30 40 EGEB N#CCSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 3555780 RCEVBYMQSNSEMZ-UHFFFAOYSA-N 337.364 3.458 30 40 EGEB C=CCSc1nnc(NC(=O)/C=C/c2ccc(OC)cc2)s1 7594366 LLEXJVUHLMPPCS-RMKNXTFCSA-N 333.438 3.477 30 40 EGEB C[C@]12CN(C(=O)c3cccc([N+](=O)[O-])c3)[C@]3(C#N)C[C@@H]1CC[C@]23C 100920901 VVPWYMMLGFSQBL-RUGDWHBFSA-N 325.368 3.139 30 40 EGEB C[C@@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)c1nccs1 106325686 HKPSSFOGZTZCFS-MRVPVSSYSA-N 338.339 3.499 30 40 EGEB COc1cc(C#N)ccc1OCC(=O)N[C@H]1CCCc2ccccc21 3374594 GDNKQOGEQWHVFI-KRWDZBQOSA-N 336.391 3.139 30 40 EGEB C=CCOc1ccc(CN(C)S(=O)(=O)c2ccc(OC)cc2)cc1 3458005 YQDQYUMXJPGZDX-UHFFFAOYSA-N 347.436 3.081 30 40 EGEB O=S(=O)(N/N=C\c1ccc(Cl)cc1Cl)c1ccccc1 13856350 GXHCURFFVDKZPK-SXGWCWSVSA-N 329.208 3.306 30 40 EGEB N#Cc1c(-c2ccccc2)nc(SCC(=O)c2ccccc2)[nH]c1=O 5491471 VAAUQOIAHGQVPH-UHFFFAOYSA-N 347.399 3.284 30 40 EGEB C[C@@H](CS(C)(=O)=O)N(C)Cc1ccc(-c2ccccc2C#N)cc1 69661959 JMRWTHGPFXLXMM-HNNXBMFYSA-N 342.464 3.090 30 40 EGEB COc1cccc(-c2nsc(NC(=O)c3cccc(C#N)c3)n2)c1 71796113 CRHLGCRBFABFKT-UHFFFAOYSA-N 336.376 3.338 30 40 EGEB Cc1nc(-c2nc[nH]n2)sc1C(=O)O[C@@H](C)c1cccc(C#N)c1 96409061 VRPLOSUNNRFYKE-JTQLQIEISA-N 339.380 3.026 30 40 EGEB CCCCCCCSc1nc2c([nH]1)c(=O)n(C)c(=S)n2C 95871065 XWOZQLIODSDOOV-UHFFFAOYSA-N 326.491 3.392 30 40 EGEB N#Cc1ccnc(O[C@@H]2CCCN(C(=O)CCCc3ccccc3)C2)c1 575612768 MSORDIZTSZHFKV-LJQANCHMSA-N 349.434 3.346 30 40 EGEB CN(CCN(C)/N=C/c1ccc(F)cc1)/N=C/c1ccc(F)cc1 3122884 UWNZCQKEYMUFLY-JFMUQQRKSA-N 330.382 3.196 30 40 EGEB C[C@H](NC(=O)OC(C)(C)C)C(=O)[C@@H](C#N)c1nc2ccccc2s1 41499497 WDIQVNSQUJYUAZ-WDEREUQCSA-N 345.424 3.386 30 40 EGEB COc1ccc(NC(=O)[C@@H](C#N)C(=O)C=C2CCCCC2)cc1OC 103764309 XQFXMXJGRBLBBY-HNNXBMFYSA-N 342.395 3.242 30 40 EGEB C=CCN1C(=O)/C(=C/c2ccc(OCC)c(OC)c2)SC1=S 5068399 MSMJUONHWZRYNP-UVTDQMKNSA-N 335.450 3.481 30 40 EGEB COc1cc(C#N)ccc1O[C@@H](C)C(=O)N(C)C1(C#N)CCCCC1 14183849 FIEYZOIZYKVBFE-AWEZNQCLSA-N 341.411 3.019 30 40 EGEB CC(C)c1ccc([C@]2(C)NC(=O)N(C[C@@H](C#N)CCC#N)C2=O)cc1 7206923 JWSFONPXYFRKPC-KUHUBIRLSA-N 338.411 3.021 30 40 EGEB Cc1ocnc1C(=O)OC[C@H](C#N)Cc1ccc(Br)cc1 97039138 OJULMCJFMZVKIM-LBPRGKRZSA-N 349.184 3.285 30 40 EGEB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N/c1cc([N+](=O)[O-])ccc1O 408741930 STLNRBDKWBWHQG-XKYMITNMSA-N 338.323 3.042 30 40 EGEB CC(C)(C)OC(=O)N1CC[C@@H](CN(CCC#N)Cc2cccnc2)C1 85826794 QMSQCKZCGSSVQP-KRWDZBQOSA-N 344.459 3.054 30 40 EGEB CC[C@H](C#N)S(=O)(=O)N1CCC[C@H](c2nc(C(C)C)cs2)C1 89941817 XITPVUJREWKDBR-QWHCGFSZSA-N 341.502 3.078 30 40 EGEB Cc1cccc(N/N=C2\C(=O)N(C3CSC3)c3c(F)cccc32)c1 223756809 IHAAXRJIRCRKPO-PGMHBOJBSA-N 341.411 3.412 30 40 EGEB CN(C[C@H]1CCOC1)C(=O)c1ccccc1Oc1ccccc1C#N 96496124 ZLNPJIKMYAMMJS-OAHLLOKOSA-N 336.391 3.459 30 40 EGEB CC(C)C[C@@H](C)S(=O)(=O)/N=C(\O)c1c(C(C)C)nn(C)c1Cl 95404983 QERSJFBKSWDGER-SNVBAGLBSA-N 349.884 3.266 30 40 EGEB N#Cc1cc(F)c(S(=O)(=O)N2CCC[C@@H]3CCCC[C@@H]32)c(F)c1 79098297 URMKIEBJYQEUOK-WFASDCNBSA-N 340.395 3.180 30 40 EGEB C/C(=N\Nc1nc2ccccc2n1C)c1ccc2c(c1)CCC(=O)N2 98054911 QXLOJWQROBJRGQ-WSDLNYQXSA-N 333.395 3.294 30 40 EGEB C/C(Cc1ccc2c(c1)OCO2)=N/N=c1\sc2ccccc2n1C 799109 WUIUEJAHVQHSOR-QJQZTKPASA-N 339.420 3.488 30 40 EGEB CC1=CC(=O)C(C(C)C)=C/C1=N\OS(=O)(=O)c1ccc(C)cc1 3076549 YVXDNLKWYVDITD-FBMGVBCBSA-N 333.409 3.168 30 40 EGEB CCOC(=O)/C(=C\c1ccccc1Cl)C(=O)COCCN=[N+]=[N-] 22058736 HQXNJWVJUXHPTB-XFXZXTDPSA-N 337.763 3.183 30 40 EGEB in-vitro Cc1ccc(C)c(C(=O)NCC2CCN(c3ncccc3C#N)CC2)c1 70929069 YTKADTQWOTVFCD-UHFFFAOYSA-N 348.450 3.217 30 40 EGEB O=C(O)CCC(=O)Nc1ccc(C(=O)/C=C/c2cccs2)cc1 13575055 YNCOXAOOSHQACW-BQYQJAHWSA-N 329.377 3.448 30 40 EGEB C=CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccc(OC)cc1 101231797 UYKVDGJKCUICCP-GHNGSUTGSA-N 349.386 3.303 30 40 EGEB O=S(=O)(NC1CCCC1)c1ccc(N/N=C/[C@@H]2CC=CCC2)nc1 46100223 YJBNYRYJIDUXNT-ONDHQXCVSA-N 348.472 3.057 30 40 EGEB CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(C)c(F)c1 103504701 OASVWMCXUQCQSG-CQSZACIVSA-N 340.354 3.494 30 40 EGEB COC(=O)c1sc(NC(=O)CCc2ccccc2)c(C#N)c1C 2741658 UYPQZURNFDMKTH-UHFFFAOYSA-N 328.393 3.286 30 40 EGEB N#Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 1098613 BQUARQVQBYSCGT-ZDUSSCGKSA-N 339.782 3.203 30 40 EGEB Cc1sc(NC(=O)CN2CCc3ccccc3C2)c(C#N)c1C 34854061 SJECWBGFHAQUNR-UHFFFAOYSA-N 325.437 3.233 30 40 EGEB C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@]2(C)C1=O 118919267 IZLVPOBNINIXJM-MHIVVDRRSA-N 332.415 3.172 30 40 EGEB N#CC1CCN(C(=O)NCCOc2ccc(C(F)(F)F)cc2)CC1 57994139 WDWYEUKDFMFGNI-UHFFFAOYSA-N 341.333 3.029 30 40 EGEB N#Cc1ccc(OCC(=O)N[C@H](c2ccccc2)c2nccs2)cc1 65513283 KGESYIVHXMLBDT-GOSISDBHSA-N 349.415 3.299 30 40 EGEB CN(C)CCSc1nc(N2CCCCC2)c2c(c1C#N)CCCC2 6760044 YEZKLDRQFXRRNG-UHFFFAOYSA-N 344.528 3.476 30 40 EGEB C=CC/N=C1/S/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1CC=C 4837340 YCOOXYWBIZNFNN-YYFCYBIDSA-N 329.381 3.239 30 40 EGEB N#Cc1cc(F)ccc1CN1CCCN(C(=O)c2cccs2)CC1 71900610 JAWBRSBFPOKYAM-UHFFFAOYSA-N 343.427 3.107 30 40 EGEB Cc1nccc(NS(=O)(=O)c2ccc(C#N)cc2Cl)c1Cl 97144368 NRHCSVMZCWNQSY-UHFFFAOYSA-N 342.207 3.369 30 40 EGEB C#Cc1cccc(N(C(=O)c2ccc(Cn3cncn3)cc2)C(C)C)c1 75127185 YFCZYXSAJQTLHM-UHFFFAOYSA-N 344.418 3.363 30 40 EGEB COc1ccc(-n2c(C)cc(/C=N/n3c(C)nnc3S)c2C)cc1 408873200 OJRXSQVAPBRDLW-VCHYOVAHSA-N 341.440 3.174 30 40 EGEB C=CCN1C(=O)/C(=C\c2ccco2)C(=O)N(c2ccccc2)C1=S 408730604 RSXLAQQXKSCOEW-NTCAYCPXSA-N 338.388 3.009 30 40 EGEB Cc1nc(SCC(=O)N[C@](C)(C#N)C(C)C)n(CC(C)C)c1C 6610020 JXTQXWBOLRFPAS-QGZVFWFLSA-N 336.505 3.303 30 40 EGEB Cc1ccc(S(=O)(=O)/N=C(\O)N[C@H](C)CCc2ccccc2)cc1 3241823 YYJQQLJYQGUMHN-OAHLLOKOSA-N 346.452 3.209 30 40 EGEB C=CCOc1ccc(CN(C)C(=O)Nn2cnc3ccccc32)cc1 10402749 CNAWOLMFGXSKRO-UHFFFAOYSA-N 336.395 3.397 30 40 EGEB Cc1nnc(NCc2cccc(OC[C@H]3CCCO3)c2)c(C#N)c1C 40555594 DRRPJEPBKFYVBR-QGZVFWFLSA-N 338.411 3.135 30 40 EGEB Cc1ccc(S(=O)(=O)OCc2c(C)nc(Cl)nc2Cl)cc1 1691228 RIDQJRDMQKZFIF-UHFFFAOYSA-N 347.223 3.306 30 40 EGEB Cc1ccc(S(=O)(=O)N/N=C(/c2ccccc2)C(F)(F)F)cc1 509978 QACLRZKZKDFMCQ-RGEXLXHISA-N 342.342 3.240 30 40 EGEB COC(=O)/C(=C\c1ccc(N2CCC(c3ccccc3)=N2)cc1)C(C)=O 33864054 LXFUUWITELDZLU-RGEXLXHISA-N 348.402 3.446 30 40 EGEB N#Cc1ccc(OCC(=O)NC2(C#N)CCCCCC2)c(Cl)c1 12819375 QNMXJELARKBZIL-UHFFFAOYSA-N 331.803 3.323 30 40 EGEB Cc1csc(N2CCCN(c3ncc(C#N)cc3Cl)CC2)n1 65552167 UGQGAJZCXSCUOI-UHFFFAOYSA-N 333.848 3.088 30 40 EGEB COc1cccc(OC)c1CC(=O)N[C@H](C#N)c1cccc(Cl)c1 89471439 CSOJRFHDKCNMJN-OAHLLOKOSA-N 344.798 3.281 30 40 EGEB O=C(/C=C/c1ccc(F)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 89768225 LTOZSJNRGQLCKZ-GORDUTHDSA-N 329.283 3.401 30 40 EGEB Cc1cc(C#N)ccc1C(=O)N[C@H]1CCCN(c2cccc(F)c2)C1 123577503 ZVZDVAXBRCBTNY-KRWDZBQOSA-N 337.398 3.405 30 40 EGEB N#Cc1cccc(C(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)c1 70639886 LBVNVMBKUXKEGV-HNNXBMFYSA-N 334.297 3.040 30 40 EGEB N#CCOc1ccc(CNC(=O)[C@@H]2SCCc3ccccc32)cc1 96430873 RWEAPAATNPQPTD-GOSISDBHSA-N 338.432 3.236 30 40 EGEB CN1C(=O)/C(=C\c2ccc(C(=O)O)cc2)S/C1=N\c1cccnc1 5520353 HWCROFCUNVQUAO-PKNIGNJESA-N 339.376 3.014 30 40 EGEB COc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@@H]2c2ccccc2F)cc1 5686966 IVEINLILFNDPTH-MRXNPFEDSA-N 341.338 3.042 30 40 EGEB N#Cc1ccc(SCC(=O)NCc2ccc(-c3ccn[nH]3)cc2)cc1 69456947 HOVOOGKOCOJLRX-UHFFFAOYSA-N 348.431 3.357 30 40 EGEB Cc1cc(C)n(-c2cc(N/N=C/c3cccc(Cl)c3)ncn2)n1 4713130 CLPOERWMWBBDLN-AWQFTUOYSA-N 326.791 3.379 30 40 EGEB COc1ccc(C(=O)[C@H](C)Sc2nc3c([nH]2)C(=O)C=C3C)cc1 6419723 DRYLOMHRPLSLSF-JTQLQIEISA-N 328.393 3.381 30 40 EGEB C=CCn1nnnc1NCc1cc(Cl)cc(Cl)c1OCC 7602054 VDCQOJFYYSDQMP-UHFFFAOYSA-N 328.203 3.177 30 40 EGEB C=CCNc1nnc(SCC(=O)N2[C@H](C)CCC[C@H]2C)s1 23938969 MGDNSQWOXWFRCZ-GHMZBOCLSA-N 326.491 3.018 30 40 EGEB C=CCOc1ccc(C(=O)NCc2nc(-c3cccs3)no2)cc1 24577337 ILDFFWACZHWTTC-UHFFFAOYSA-N 341.392 3.293 30 40 EGEB Cc1nc(SCC(=O)NCc2cccs2)c(C#N)c(C)c1C 5089227 DKJXNJZSGKOQOG-UHFFFAOYSA-N 331.466 3.349 30 40 EGEB N#CCOc1ccc(NC(=O)CCC(=O)c2ccc(F)cc2)cc1 18829828 RNPVJMLCEXYFEZ-UHFFFAOYSA-N 326.327 3.330 30 40 EGEB CCCOc1ccc(/C=N/N2C(=O)CSC2=S)cc1OCC 409329366 FBIZRPPNGIIXRF-CXUHLZMHSA-N 338.454 3.068 30 40 EGEB CN(CC12CC3CC(CC(C3)C1)C2)S(=O)(=O)c1cccc(C#N)c1 15480198 ULMBFPHWNAMTED-UHFFFAOYSA-N 344.480 3.395 30 40 EGEB COc1ccc(-n2cccn2)c(-c2cc(C3CC3)nc(N)c2C#N)c1 67491403 UEUBRHNZLSDAIZ-UHFFFAOYSA-N 331.379 3.274 30 40 EGEB Cc1ccoc1C(=O)O[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 16417117 KAZAGGYPHNKDTO-JTQLQIEISA-N 332.743 3.297 30 40 EGEB N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnsn3)n2)cc1 78724157 BRNOTMGNCMVVFZ-NSHDSACASA-N 337.389 3.023 30 40 EGEB COC(=O)[C@@H](N[C@H](C)c1cc(C)ccc1OC)c1ccc(C#N)cc1 95960802 XECXVSIQNVDQFG-KUHUBIRLSA-N 338.407 3.440 30 40 EGEB CC(C)(C)c1ccc(OC/C(O)=N/S(=O)(=O)c2cccnc2)cc1 42323854 WYIMBJNIVJCPCL-UHFFFAOYSA-N 348.424 3.103 30 40 EGEB COc1ccc(/C(C)=N/NCc2ccc(OC)c(OC)c2)c(OC)c1 216055663 CPWTUZWNFAUHEZ-FYJGNVAPSA-N 344.411 3.235 30 40 EGEB N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@H]1[C@@H]1CCCOC1 566159780 PXPZSMXRYXTUHD-OLZOCXBDSA-N 325.334 3.367 30 40 EGEB COc1ccc(/C(CNC(=O)OC(C)(C)C)=N\O)cc1SC 599884684 NYXYYQAKWRJQAX-BOPFTXTBSA-N 326.418 3.120 30 40 EGEB C=CCN(CC=C)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 69812177 FTKZCYPAUKPBMR-UHFFFAOYSA-N 329.444 3.048 30 40 EGEB Cc1ccc(-c2ccc(/C=N/n3cnnc3)o2)c(Br)c1 37664 CNDKTIWKKPQJIZ-CNHKJKLMSA-N 331.173 3.491 30 40 EGEB O=S(=O)(/N=C(\O)c1ccccc1)c1ccc(Br)cc1 242293 HWCIZGBBBWYGPR-UHFFFAOYSA-N 340.198 3.143 30 40 EGEB CCOC(=O)c1ccc(N/N=C/c2ccc(OC)cc2)c([N+](=O)[O-])c1 5953235 WKAHAFINGNFXQV-WOJGMQOQSA-N 343.339 3.226 30 40 EGEB CCc1nnc(S)n1/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 8183022 NLYFRXIWCBQJDO-CXUHLZMHSA-N 343.368 3.180 30 40 EGEB C[C@H](Cc1ccc(C#N)cc1)C(=O)NC[C@@]1(CO)C[C@@H]1c1ccccc1 594359632 PIBNSVFQSVKARC-BSLALVQMSA-N 348.446 3.019 30 40 EGEB Cc1cccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCC3)c1 812731 XPNATFHQWVQITL-UHFFFAOYSA-N 340.404 3.212 30 40 EGEB C/C(=C1\C(=O)C[C@@H]2[C@@H]1C2(C)C)N1CCN(c2ccc(F)cc2)CC1 105922714 FHRJLIBVKIONQH-XDRNPCELSA-N 328.431 3.467 30 40 EGEB CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)/C=C/c1ccccc1Cl 22112372 MFHSOXZZEJEZKX-VASKQELCSA-N 348.830 3.339 30 40 EGEB Cc1ccc(OCC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)cc1 103504471 AKAGUHIVPNORFG-CQSZACIVSA-N 342.782 3.375 30 40 EGEB N#C[C@@H](C(=O)CCCc1c[nH]c2ccccc12)C(=O)Nc1ccccn1 104055980 DJMCXMLUAVSLSZ-INIZCTEOSA-N 346.390 3.233 30 40 EGEB C=CCN(CC=C)C(=O)CSc1nc(-c2ccc(CC)cc2)n[nH]1 8483738 KBVLOQJJNHYAEH-UHFFFAOYSA-N 342.468 3.327 30 40 EGEB N#CCCCN1C(=O)[C@](O)(c2c[nH]c3ccccc23)c2ccccc21 2235663 OZBGTKMCBITQRB-HXUWFJFHSA-N 331.375 3.054 30 40 EGEB COc1ccc(N[C@H](C)C(=O)Nc2sccc2C#N)c(OC)c1 28806121 DKOQQFJWCIBUPF-SNVBAGLBSA-N 331.397 3.076 30 40 EGEB CCc1ccc(S(=O)(=O)/N=C2\C=CC(=O)c3ccccc32)cc1 18046699 TXFWTMBJLZVFHP-HTXNQAPBSA-N 325.389 3.180 30 40 EGEB COc1ccccc1/C=C1\S/C(=N/c2ccc(O)cc2)NC1=O 5252751 SBIIRJICIDGHGE-GDNBJRDFSA-N 326.377 3.292 30 40 EGEB N#Cc1cnc(NCc2ccc(C(=O)NC3CC3)cc2)c(Cl)c1 65552134 NUKDCLPJZKGXCX-UHFFFAOYSA-N 326.787 3.111 30 40 EGEB N#Cc1cc(Br)ccc1NCC1CCC(C(N)=O)CC1 96008499 JALLFNOTHDOLHO-UHFFFAOYSA-N 336.233 3.024 30 40 EGEB CN([C@@H]1CCCc2ccccc21)S(=O)(=O)Cc1ccc(C#N)cc1 9721865 MTOWFYNIXCNDJR-LJQANCHMSA-N 340.448 3.397 30 40 EGEB CC/N=C(/NCCc1ccccn1)NCc1coc(-c2ccccc2)n1 95405759 IRMWQOIPQDLMLY-UHFFFAOYSA-N 349.438 3.034 30 40 EGEB Cc1cc(C(=O)O)ccc1/N=C/c1ccc(N2CCOCC2)c(F)c1 409139723 DTRWZQZJENSIED-CIAFOILYSA-N 342.370 3.420 30 40 EGEB C=CCO[C@H]1CCN(C(=O)Cc2ccsc2)[C@H]1Cc1cccnc1 96200539 PATAEVLROJZHOK-ROUUACIJSA-N 342.464 3.100 30 40 EGEB COc1cc(-c2nnc(SCCCC#N)o2)cc(OC)c1OC 5019735 JFWJFGSHOKGAJD-UHFFFAOYSA-N 335.385 3.158 30 40 EGEB COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)NC(=S)[C@@H]2C#N)cc1 5231369 NMOREFXOAWLKJQ-CZUORRHYSA-N 340.448 3.492 30 40 EGEB C/C(CC1SCCCS1)=N\NS(=O)(=O)c1ccc(C)cc1 16951257 SVDOALYJKJHUTJ-NTCAYCPXSA-N 344.527 3.236 30 40 EGEB Cc1c(C(=O)Nc2ccc(C#N)cc2Cl)cnn1-c1ccccn1 610872528 IXKQANHNJPORAZ-UHFFFAOYSA-N 337.770 3.353 30 40 EGEB N#Cc1ccc(S(=O)(=O)N2[C@H]3CC[C@H]2CC(=C2CCC2)C3)cc1 1775972618 NUMLEZCYBIISAE-IRXDYDNUSA-N 328.437 3.354 30 40 EGEB CC(Nc1ccc(-n2cncn2)cc1)=C1C(=O)c2ccccc2C1=O 2549969 AANCMHCIPJIWCW-UHFFFAOYSA-N 330.347 3.032 30 40 EGEB CC(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)cc1 4095208 JTZWGHIBHXKDAG-MRXNPFEDSA-N 342.782 3.220 30 40 EGEB O=C1CCCC2=C1[C@H](c1ccc(-c3ccccc3)cc1)n1nnnc1N2 18196039 QUHREFRMHLPRNX-IBGZPJMESA-N 343.390 3.362 30 40 EGEB CCOC(=O)/C(=N\Nc1cccc(C(F)(F)F)c1)N[C@H](C)CC 3188387 AEGLWNHGHXMCRX-SNVBAGLBSA-N 331.338 3.382 30 40 EGEB C=CCn1c(SCCOc2cccc(C#N)c2)nnc1C1CC1 53424591 IXISJYWMUPUPQW-UHFFFAOYSA-N 326.425 3.384 30 40 EGEB C=CCCCN(C)C(=O)c1occc1CS(=O)(=O)c1ccccc1 71914814 MXANPDQEBFZDKJ-UHFFFAOYSA-N 347.436 3.292 30 40 EGEB Cc1sc(NC(=O)c2cn(Cc3ccccc3)nn2)c(C#N)c1C 24361674 SLYCOBDJJJSBJU-UHFFFAOYSA-N 337.408 3.129 30 40 EGEB Cc1ccc(NC(=O)NC[C@H]2CCCN(c3ncccc3C#N)C2)cc1 58341399 CJIDWHQQUSAWSF-MRXNPFEDSA-N 349.438 3.300 30 40 EGEB N#CCCN(Cc1ccco1)C(=O)c1ccn(-c2cccc(F)c2)n1 65627045 FCVFHJJWTUOQLY-UHFFFAOYSA-N 338.342 3.160 30 40 EGEB N#CC1(NC(=O)CNc2ccc(C(F)(F)F)cc2)CCCCC1 9157614 SHVYLVSIRVMQLZ-UHFFFAOYSA-N 325.334 3.460 30 40 EGEB CC(=O)Nc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)ccc1F 72032112 KCWPZUCDNAILKK-GFCCVEGCSA-N 336.326 3.150 30 40 EGEB CC[C@](C)(NCC(=O)NC1(C#N)CCCCC1)c1nc(C)cs1 72864806 XTZWREROHJFJQM-INIZCTEOSA-N 334.489 3.009 30 40 EGEB CN(C(=O)c1ccco1)c1ccccc1C(=O)[C@@H](C#N)c1ccccn1 78715030 KFBBNNOWNXSOCG-HNNXBMFYSA-N 345.358 3.441 30 40 EGEB Cc1cccc(NC(=O)N2CCC(Oc3ncccc3C#N)CC2)c1 96102875 HBJIUVFXTNSJSK-UHFFFAOYSA-N 336.395 3.337 30 40 EGEB N#CC1CCN(C(=O)/C=C/c2csc(Br)c2)CC1 96407518 JFMYYJHZMPVDOA-OWOJBTEDSA-N 325.231 3.286 30 40 EGEB N#Cc1ccc(/C=C/C(=O)NCCCN2CCc3ccccc3C2)cc1 32399771 RRUBSJKALWGFBI-ZHACJKMWSA-N 345.446 3.136 30 40 EGEB Cc1sc2ncnc(SCC(=O)N[C@@](C)(C#N)C(C)C)c2c1C 2639265 GOPLYNGYWXKXNV-INIZCTEOSA-N 348.497 3.455 30 40 EGEB COC(=O)c1ccc(N/C=C/C(=O)c2ccc3c(c2)OCO3)cc1 4905364 SXMFUIDYFDOFBW-CMDGGOBGSA-N 325.320 3.010 30 40 EGEB C[C@@H]1CCC[C@H](N2C[C@@H](C(=O)Nc3cccc(C#N)c3)CC2=O)[C@@H]1C 23115738 HMPYZYPZCIPARC-DEICHXMPSA-N 339.439 3.170 30 40 EGEB Cc1nccn1-c1ncccc1NC(=O)CCc1ccc(C#N)cc1 57222289 USGJHZBZFVCVSO-UHFFFAOYSA-N 331.379 3.019 30 40 EGEB COc1ccc(/C=N\OCC(=O)Nc2ccccc2C)cc1OC 109029303 UKLVNADVJDIQDP-ODLFYWEKSA-N 328.368 3.001 30 40 EGEB N#Cc1cccc(NC(=O)COC(=O)/C=C/c2cccc(Cl)c2)c1 3234433 PMKVUPADDGEEQX-BQYQJAHWSA-N 340.766 3.407 30 40 EGEB Cc1ccc(Nc2nc3nonc3nc2N/N=C/c2ccco2)cc1 59488846 YHFCZLLQTZEFES-RQZCQDPDSA-N 335.327 3.104 30 40 EGEB N#Cc1ccc(NC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1 12877321 VNMXBDVYPRCLHT-UHFFFAOYSA-N 348.406 3.441 30 40 EGEB N#Cc1cccc(C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)c1 13072778 YDQDPANQIGBCTI-UHFFFAOYSA-N 339.420 3.240 30 40 EGEB COc1ccccc1NC(=O)COc1c(Cl)cc(C#N)cc1OC 6126732 KDEJXNSAWAAKHZ-UHFFFAOYSA-N 346.770 3.246 30 40 EGEB N#CCCn1ncc2c(Nc3ccc(N4CCCCC4)cc3)ncnc21 65519942 BQTJMSUSYBUBCJ-UHFFFAOYSA-N 347.426 3.474 30 40 EGEB N#Cc1cnn2c(O)cc(CSc3ccnc4ccccc34)nc12 65609847 VSZYOCHQXFOHIA-UHFFFAOYSA-N 333.376 3.147 30 40 EGEB CCN(C(=O)c1cc(OCC(F)F)ccn1)c1ccc(C#N)cc1 96496105 CPTLABPZNMPLPI-UHFFFAOYSA-N 331.322 3.264 30 40 EGEB N#Cc1ccc(C(F)(F)F)c(N2CCC(Nc3cccnn3)CC2)c1 97096943 BMNMIXYKAHQVSK-UHFFFAOYSA-N 347.344 3.448 30 40 EGEB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc(F)cc3)C2(C#N)C#N)cc1 218366825 KLGQLCVNOJYCMT-IRXDYDNUSA-N 340.379 3.107 30 40 EGEB CN(C)/C=C(/C(=O)c1ncc(C(F)(F)F)cc1Cl)C(=O)C1CC1 81220009 WVTCJAJTXSRTHY-JXMROGBWSA-N 346.736 3.361 30 40 EGEB CCN(C(=O)CC1CCC2(CC1)OCCO2)c1ccc(C#N)cc1 191173371 GPKDEAFWWKLXSA-UHFFFAOYSA-N 328.412 3.235 30 40 EGEB Cc1ccc(S(=O)(=O)/N=C(\O)CCc2ccccc2)cc1N(C)C 96475764 ISGKJDQBBDQTIK-UHFFFAOYSA-N 346.452 3.339 30 40 EGEB N#Cc1ccsc1N1CC[C@@H](Nc2cnn(-c3ccccc3)c2)C1=O 97102883 ISWVFDBBBFCTDX-MRXNPFEDSA-N 349.419 3.023 30 40 EGEB C[C@@H](c1cccc(C#N)c1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 249269391 JYKGSHPXKRJRNN-XJKSGUPXSA-N 337.383 3.109 30 40 EGEB N#Cc1ccccc1NC(=O)c1cccn(Cc2ccccc2)c1=O 4940241 PZQWYPLPIFTYOW-UHFFFAOYSA-N 329.359 3.021 30 40 EGEB CCN(CC)c1ccc(/N=C2\C=CC(=O)C(NC(C)=O)=C2)c(C)c1 104321262 CHGIHVWOAFUQLD-RCCKNPSSSA-N 325.412 3.073 30 40 EGEB C[C@H](CC#N)N(C)C(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 103442860 MQKUYDHPDYBJRN-SNVBAGLBSA-N 347.216 3.213 30 40 EGEB Cc1ccc(C[C@H](C#N)Sc2nnc(-c3cccnc3)n2C)cc1 24703750 MJBCOZRHYZQMNA-MRXNPFEDSA-N 335.436 3.413 30 40 EGEB CCOc1cccc(C(=O)/C=C/c2csc(N(C)C(C)=O)n2)c1 58230392 PXWCECNIFZZNPO-CMDGGOBGSA-N 330.409 3.421 30 40 EGEB CN(C)CCOc1cccc(C(=O)/C=C/c2ccc(C(=O)O)cc2)c1 58268617 BYUSPAIPWIAJRN-DHZHZOJOSA-N 339.391 3.221 30 40 EGEB N#Cc1ccccc1OCc1ccc(C(=O)NCc2ccccn2)o1 48189234 DOQRBKMWLAMGSI-UHFFFAOYSA-N 333.347 3.055 30 40 EGEB N#Cc1ccc(NC(=O)CSc2ncnc3sccc23)cc1 3604473 HFMYRXAOWBZNAH-UHFFFAOYSA-N 326.406 3.294 30 40 EGEB C[C@H]1CN(Cc2ccc(CNCc3ccc(C#N)cc3)cc2)C[C@@H](C)O1 48710000 YVYMFYUFTIMUJE-HDICACEKSA-N 349.478 3.457 30 40 EGEB N#CCOc1ccc(NC(=O)c2cncn2-c2ccc(F)cc2)cc1 15766143 XIELPSDIBRVBBX-UHFFFAOYSA-N 336.326 3.166 30 40 EGEB N#CC1(C(=O)N2CCC[C@@H](c3cc(C(F)(F)F)[nH]n3)C2)CCCC1 78901791 UHYMEIGVSWSOAO-LLVKDONJSA-N 340.349 3.218 30 40 EGEB N#Cc1ccccc1N1CCC(NC(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 72293136 LGIPDFBRHGJMGN-VQTJNVASSA-N 345.446 3.447 30 40 EGEB C/N=C(/NCCCn1ccc2ccccc21)NCc1c(C)noc1C 84023320 SHWNGHRKJWKGEZ-UHFFFAOYSA-N 339.443 3.001 30 40 EGEB CC(C)(C)c1ccc([C@H](C#N)NC(=O)[C@@H]2CC23CCOCC3)cc1 98018635 YVTZZHUHDNNJAU-IRXDYDNUSA-N 326.440 3.482 30 40 EGEB N#CC1(C(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)CCCCC1 95955810 VKFHPWPUUPZTKZ-CQSZACIVSA-N 347.409 3.381 30 40 EGEB CC(=O)Oc1ccccc1/C=N/NC(F)(F)C(F)(F)C(F)(F)F 409043003 YUSHALKPJNHJLY-CGOBSMCZSA-N 346.202 3.326 30 40 EGEB Cc1ccc(S(=O)(=O)OCC23CC(Br)(C2)C3)cc1 38421489 YLXJMMAQNAWEAM-UHFFFAOYSA-N 331.231 3.018 30 40 EGEB COC(C)(C)CCOc1c(N)cc(C#N)n1Cc1ccccc1C 225878189 IRNSZLINUSRNFX-UHFFFAOYSA-N 327.428 3.493 30 40 EGEB CCOc1ccc(/C=C2\C(=O)ON=C2c2ccc([N+](=O)[O-])cc2)cc1 32184 DYZFWYINSUUDQZ-WJDWOHSUSA-N 338.319 3.338 30 40 EGEB CSc1ccc([C@@H]2C3=C(C[C@H](C)CC3=O)Nc3ncnn32)cc1 14607477 IBIXZFKSCIDTFR-MGPLVRAMSA-N 326.425 3.268 30 40 EGEB N#Cc1c(N)nc2c(c1-c1cccnc1)C(N)=Nc1ccccc1S2 20094945 WYIMVPREGOIHRS-UHFFFAOYSA-N 344.403 3.099 30 40 EGEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(C)[C@H]2c2ccc(F)cc2)cc1 100259446 VFGUOAHFLBNCIA-UYTDBDHRSA-N 325.339 3.186 30 40 EGEB COc1cc(C(=O)Nc2ncccc2OCCCC#N)ccc1C 69615572 MJKMBCWTDSIGCY-UHFFFAOYSA-N 325.368 3.334 30 40 EGEB Cc1ccc([C@@H](CNCc2cccc(C#N)c2)N2CCOCC2)s1 75603929 VTPXRPRTMJIYQN-GOSISDBHSA-N 341.480 3.091 30 40 EGEB C/C(=N/n1c(S)nnc1-c1ccccc1)c1cccc([N+](=O)[O-])c1 100061957 XCBMTHZKSKEFRH-ODLFYWEKSA-N 339.380 3.414 30 40 EGEB N#Cc1ccccc1S(=O)(=O)N[C@H](c1ccccc1)c1ccccn1 25658176 AINSJCLJYZFEMB-LJQANCHMSA-N 349.415 3.021 30 40 EGEB Cn1c(Cl)nc(Cl)c1/C=C/C(=O)c1ccc2c(c1)OCO2 58308685 TUAPAPUPVAGWPP-ONEGZZNKSA-N 325.151 3.352 30 40 EGEB Cc1ccccc1C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 14200143 YUVPUBZEVIPTEB-LJQANCHMSA-N 337.398 3.157 30 40 EGEB COc1ccc([C@H](CNc2ccc([N+](=O)[O-])cc2C#N)N(C)C)cc1 5638086 HQBDSPDUEYMFRF-SFHVURJKSA-N 340.383 3.190 30 40 EGEB O=C(O)C(=O)/C(=C\c1cccc([N+](=O)[O-])c1)c1ccc2ccccc2n1 4883931 QPCNIHPMFKGOHS-PTNGSMBKSA-N 348.314 3.337 30 40 EGEB COc1ccc(CN/N=C/c2ccc(Br)o2)cc1OC 20195849 YYHGHUBYQUOLPL-RQZCQDPDSA-N 339.189 3.183 30 40 EGEB C[C@H]1CN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C[C@@H](C)O1 95953613 VJXSRDSOMQVYET-ZNMIVQPWSA-N 347.484 3.129 30 40 EGEB N#Cc1ccc(OC2CCN([C@H]3Cc4ccccc4[C@H]3O)CC2)cc1 95987238 RMHZTXMOSAFKLB-LEWJYISDSA-N 334.419 3.060 30 40 EGEB COCCN1C(=O)/C(=C/c2cccn2C)SC1=Nc1ccccc1 409096723 LASFIXJVJXVFIY-AAKCPPNYSA-N 341.436 3.276 30 40 EGEB C=CCn1c(C)c(CN2CCc3nc(C)[nH]c(=O)c3C2)c2ccccc21 72389562 HHSIPESRRFBOEP-UHFFFAOYSA-N 348.450 3.086 30 40 EGEB C=CCOc1ccc(N(C)S(=O)(=O)c2ccc(OC)cc2)cc1 224871384 JNRPNMYJFFTIHQ-UHFFFAOYSA-N 333.409 3.085 30 40 EGEB C[C@@H](/N=C(/O)N1C[C@H]2COC[C@@H](C1)O2)c1cccc(Cl)c1Cl 328738314 MCIRGOPJZBIHIL-MXWKQRLJSA-N 345.226 3.068 30 40 EGEB CCCNC(=O)CSc1nc(-c2ccc(OC)cc2)ccc1C#N 82086916 FJRUDDQVTILPEF-UHFFFAOYSA-N 341.436 3.247 30 40 EGEB C=CCN(c1cccc(C)c1)S(=O)(=O)c1ccc(NC(C)=O)cc1 224887875 BUYGDZYQTVIPNJ-UHFFFAOYSA-N 344.436 3.335 30 40 EGEB N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CCCO3)cc2F)c1 69702936 CQHDZZMLXZWRBA-GOSISDBHSA-N 340.354 3.394 30 40 EGEB C=CCc1cccc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1O 5290767 OSKCQUHDIDBANL-LICLKQGHSA-N 342.311 3.383 30 40 EGEB N#Cc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 16449166 FBQBPXOLRCJDSQ-UHFFFAOYSA-N 325.799 3.174 30 40 EGEB C[C@@H](CS(C)(=O)=O)n1ccc2c(C(F)(F)F)c(C#N)ccc21 208146308 SKDVMPZQJMZEAC-VIFPVBQESA-N 330.331 3.137 30 40 EGEB COC1=C(OC)C(=O)C(Sc2ccc3ccccc3c2)=CC1=O 1761163 JYXVVHHLNIBPJM-UHFFFAOYSA-N 326.373 3.472 30 40 EGEB CC(=O)/C(=C\NC(=S)Nc1ccccc1)C(=O)Nc1ccccc1 104304113 PGVUUUULSRAGKU-FOWTUZBSSA-N 339.420 3.085 30 40 EGEB C[C@H](c1cccc(O)c1)N(C)CC(=O)NC1(C#N)CCCCCC1 69590596 ZEYSQGQHXYFWJL-OAHLLOKOSA-N 329.444 3.118 30 40 EGEB O=[N+]([O-])c1ccccc1NC(=S)N/N=C/c1c[nH]c2ccccc12 6566129 QMJMQJVYRMGRES-VCHYOVAHSA-N 339.380 3.397 30 40 EGEB COc1ccc(OC)c(/C=N/Nc2nncc(-c3ccccc3)n2)c1 15015553 LNAFTCQFOSWOGF-YBFXNURJSA-N 335.367 3.002 30 40 EGEB C=C(C)CN(C)C(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 97049210 QIKZAMYHUBSAPF-CYBMUJFWSA-N 330.432 3.249 30 40 EGEB C#Cc1cccc(N(C)C(=O)c2ccccc2CSc2ncn[nH]2)c1 72291662 MHUQQTHPZOBKKS-UHFFFAOYSA-N 348.431 3.355 30 40 EGEB NC(=S)N/N=C(\C(=S)Nc1ccc(Cl)cc1)c1ccccc1 68572229 HLXBJFVUDXEPHO-UYRXBGFRSA-N 348.884 3.317 30 40 EGEB CC1=NOC(=O)[C@]12C(=O)N(Cc1ccccc1Cl)c1ccccc12 96191579 BVAFCJCRSLGPJE-GOSISDBHSA-N 340.766 3.057 30 40 EGEB COc1ccc(N/C=C(\C(C)=O)C(=O)Nc2ccc(OC)cc2)cc1 98212103 IMLCBYATOSRYJI-LDADJPATSA-N 340.379 3.227 30 40 EGEB Cc1ccc(C)c(S(=O)(=O)N/N=C2\C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)c1 585145823 RZZUHTPVWLUVKO-MQXNCIHISA-N 332.469 3.394 30 40 EGEB Cc1cc(NC(=O)CNc2ccccc2Oc2ncccc2C#N)no1 55844598 JFZFASMLKYCAHZ-UHFFFAOYSA-N 349.350 3.093 30 40 EGEB Cc1cc(C2=[N+]([O-])[C@]3(CCCC/C3=N\O)N(O)C2(C)C)ccc1F 13098308 BVXSBUUODABCCC-GMYFBSLISA-N 335.379 3.017 30 40 EGEB CC[C@@H](Sc1nc(C)cc(C)c1C#N)C(=O)Nc1cc(C)on1 90729 XVPHEPFXSOOTFW-CYBMUJFWSA-N 330.413 3.376 30 40 EGEB CC(C)(C)C(=O)/C=C1\N[C@H]2CCCC[C@H]2N\C1=C/C(=O)C(C)(C)C 4576405 PEMLPACMQJOXII-XVPDASNMSA-N 332.488 3.489 30 40 EGEB COc1ccc(C(=O)Nc2sc3c(c2C#N)CCC3)cc1OC 249153 RAFZMHICBCRXGM-UHFFFAOYSA-N 328.393 3.378 30 40 EGEB C[C@H](OC(=O)/C=C/c1cccc(F)c1)C(=O)Nc1cccc(C#N)c1 6642801 PYAHTJVNBCKFJJ-XEHSLEBBSA-N 338.338 3.281 30 40 EGEB COc1ccc(-c2nn(C)c3c2/C(=N\O)CC(C)(C)C3)cc1OC 100302682 KAWXEJCZJCOKMF-NDENLUEZSA-N 329.400 3.255 30 40 EGEB N#CCc1nc(CSc2ncc(C(F)(F)F)cc2Cl)n[nH]1 5753699 TXGTYFVXRVNTJT-UHFFFAOYSA-N 333.726 3.230 30 40 EGEB C=C[C@H](C/C(O)=N/S(=O)(=O)c1c(C)noc1C)c1ccccc1 95443013 ZADSMTNUQINCQT-CYBMUJFWSA-N 334.397 3.297 30 40 EGEB N#Cc1ccc(OS(=O)(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 585115925 ZTUQWSAFZAQXST-WCQYABFASA-N 333.331 3.388 30 40 EGEB C/C(=N\Nc1ccccc1C(=O)O)c1cccc(N2CCOC2=O)c1 96035611 JDAWLIVVPZEBIW-XDHOZWIPSA-N 339.351 3.178 30 40 EGEB C=CCOc1ccc(Cl)cc1/C=C1/SC(NC(C)=O)=NC1=O 5850832 XIATVVHVMGCUCW-MDWZMJQESA-N 336.800 3.011 30 40 EGEB COc1cc(/C=C2\Oc3cc(C)cc(O)c3C2=O)cc(OC)c1OC 11865204 JDRJCYWUJBTKOO-AUWJEWJLSA-N 342.347 3.343 30 40 EGEB biogenic O[C@@H](CNCc1ccco1)CON=C1c2ccccc2-c2ccccc21 2707495 ZXWOIOGJZLOLLO-HNNXBMFYSA-N 348.402 3.180 30 40 EGEB COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(O)ccc2C1=O 25569 DQTMJIUNXVVYJR-IDUWFGFVSA-N 328.320 3.034 30 40 EGEB biogenic Cc1ccc(CNC(=O)CSc2nc(C)cc(C)c2C#N)cc1 3556287 ODUYEPKIKZYBIY-UHFFFAOYSA-N 325.437 3.287 30 40 EGEB N#C[C@H](C(=O)[C@@H]1CC(c2ccccc2)=NO1)c1nc2ccccc2o1 54736424 LSNSZTZLDGDBSA-DYVFJYSZSA-N 331.331 3.197 30 40 EGEB CN(Cc1cnn(Cc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1C#N 24341795 APBWFFLQFKUKQX-UHFFFAOYSA-N 347.378 3.348 30 40 EGEB N#Cc1ccc(NC(=O)[C@H](SCC(=O)O)c2ccccc2)cc1 1402925 OPPQMCFNCKIGQX-MRXNPFEDSA-N 326.377 3.056 30 40 EGEB Cc1c(CNC[C@H](c2cccs2)N2CCCC2)cc(C#N)n1C 48234794 CYNHNLOBOZGSNT-QGZVFWFLSA-N 328.485 3.193 30 40 EGEB N#Cc1ccc(NC(=O)N2CCN(c3nccs3)CC2)cc1Cl 48374685 CKSVJKBMBZQHPP-UHFFFAOYSA-N 347.831 3.022 30 40 EGEB N#Cc1cccc(CN2C(=O)N[C@@]3(CCCCc4ccccc43)C2=O)c1 12947803 YPCXDJSCFNNBJC-OAQYLSRUSA-N 345.402 3.232 30 40 EGEB CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)Nc2cccc(C#N)c2)C1 65610671 KBIZBIVGZAWPHK-GDBMZVCRSA-N 342.443 3.107 30 40 EGEB COc1ccc(OC)c(C2=C/C(=N/Nc3ccc(C)cc3)C(=O)O2)c1 408727287 ZKZFFACIOSQMSW-PGMHBOJBSA-N 338.363 3.378 30 40 EGEB Cc1cc(C)c(C#N)c(SCC(=O)c2ccc3c(c2)OCCO3)n1 6897559 GNSNRIYPYJLFPJ-UHFFFAOYSA-N 340.404 3.316 30 40 EGEB N#Cc1cccc(NC(=O)COC(=O)c2cc(Cl)ccc2F)c1 7522533 GVOXJWIFTGSSHA-UHFFFAOYSA-N 332.718 3.146 30 40 EGEB CCC[C@@H](C)C/C(O)=N/S(=O)(=O)c1ccc2c(c1)OCCCO2 71850164 NTOGGFHQJPHTSG-GFCCVEGCSA-N 341.429 3.319 30 40 EGEB CC[C@@H]1CN(/C(=N/C)NCc2ccnn2C)CC[C@@H]1c1ccccc1 95975403 PMTABNOETBWAGF-APWZRJJASA-N 339.487 3.011 30 40 EGEB COc1cccc(/N=C/c2ccc(N3CCOCC3)cc2OC)c1 409241693 LOVMXADQZFBEKG-XSFVSMFZSA-N 326.396 3.291 30 40 EGEB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)C2(C#N)C#N)cc1 218347513 IXKIGAQOTAFGRF-QZTJIDSGSA-N 336.416 3.222 30 40 EGEB Cn1c(=S)n(CN(CCC#N)CCC#N)c2cc(Cl)ccc21 48343138 FINIZKLXYDPETE-UHFFFAOYSA-N 333.848 3.450 30 40 EGEB COc1ccc(CN2C(=O)/C(=N\O)c3ccc(C)c(C)c32)cc1OC 46084675 CNEOUHBZXGGZOH-JZJYNLBNSA-N 340.379 3.046 30 40 EGEB O=C1C(=O)c2ccccc2/C1=C/c1cc(Br)ccc1O 5604663 KTNDDOMDZRPJKA-JYRVWZFOSA-N 329.149 3.461 30 40 EGEB COc1ccc2c(C)cc(N/N=C\c3ccc([N+](=O)[O-])o3)nc2c1 5392946 ICXPWGLLFWRFSL-MFOYZWKCSA-N 326.312 3.499 30 40 EGEB N#Cc1cc(I)c(Br)cc1F 575687507 CKYHKEBNVIUBAI-UHFFFAOYSA-N 325.906 3.064 30 40 EGEB N#Cc1ccnc(O[C@H]2CCCN(C(=O)CCCc3ccccc3)C2)c1 575612767 MSORDIZTSZHFKV-IBGZPJMESA-N 349.434 3.346 30 40 EGEB COc1ccc(C(=O)[C@@H](C#N)C(=O)c2ccc(C)s2)cc1[N+](=O)[O-] 100871576 UDSZDKATLNNKAZ-LLVKDONJSA-N 344.348 3.179 30 40 EGEB C=C1C(=O)[C@]23CC[C@H]4[C@@](C)(C(=O)OC)CCC[C@]4(C)[C@H]2CC[C@@]1(O)C3 8655530 CAZYNLSCRWNLPJ-VSAURAEQSA-N 346.467 3.422 30 40 EGEB CCc1nc2ccccc2n1C/C(O)=N/c1nc(-c2ccccn2)n[nH]1 53525091 XVLOBHMBYYQHEV-UHFFFAOYSA-N 347.382 3.067 30 40 EGEB Cc1nc(S[C@@H](C)C(=O)NC2(C#N)CCCCC2)nc(C)c1C 10224541 PDJPWNYJAMWXRZ-AWEZNQCLSA-N 332.473 3.225 30 40 EGEB C[C@@H]1C[C@H]1c1ccc(CN(C)C[C@@H](O)COc2ccc(C#N)cc2)o1 28694502 DBVMUYJRUCBCAP-IDHHARJASA-N 340.423 3.146 30 40 EGEB Cc1ccc2nc(N/C(N)=N/C(=O)NC3CCCCC3)nc(C)c2c1 13656134 IJFNMWRASZLSEN-UHFFFAOYSA-N 340.431 3.016 30 40 EGEB O=C1/C(=N/NC2=NCCCCC2)c2ccccc2N1Cc1ccccc1 5445350 JWMGFYZHHNDJKQ-HIXSDJFHSA-N 346.434 3.500 30 40 EGEB COc1ccc2nc(SCC(=O)NC3(C#N)CCCCC3)[nH]c2c1 6586844 MBEHBEPFNPTHDL-UHFFFAOYSA-N 344.440 3.006 30 40 EGEB COc1cccc(/C=C2\S/C(=N/c3ccc(F)cc3)NC2=O)c1O 4704749 BMWGNOYZNHYZSY-ZROIWOOFSA-N 344.367 3.432 30 40 EGEB O=c1c2[nH]c3ccccc3c2nc(O)n1/N=C/c1ccccc1Cl 4808078 QZXUTOAXRRPVQR-DJKKODMXSA-N 338.754 3.119 30 40 EGEB CCOC(=O)C/C(C)=N/Nc1oc(-c2ccc(C)cc2)nc1C#N 4807581 ZTWAXCCFRGSHAC-UDWIEESQSA-N 326.356 3.263 30 40 EGEB CC(=O)N[C@@H](C(=O)Nc1ccccc1SC[C@@H](C)C#N)C(C)C 71888208 XMEXYYXVBVZVHW-BLLLJJGKSA-N 333.457 3.038 30 40 EGEB Cc1cc(N/N=C\c2ccc3c(c2)OCO3)c2cc3c(cc2n1)OCO3 31769271 BQEYNIRSTCBFEH-ZBKNUEDVSA-N 349.346 3.447 30 40 EGEB N#Cc1nc(-c2cccnc2)oc1N1CCN(c2ccc(F)cc2)CC1 35672196 XSEIMNIWZLPATJ-UHFFFAOYSA-N 349.369 3.074 30 40 EGEB N#Cc1ccc(CNC(=O)NCc2cccc(OC(F)F)c2)c(F)c1 78555856 YNACGVQTVGUIGN-UHFFFAOYSA-N 349.312 3.298 30 40 EGEB C=CCOC(=O)c1cc(NC(=O)C(F)(F)F)ccc1N1CCCC1 226278450 YEKPFUWVFUKJGD-UHFFFAOYSA-N 342.317 3.130 30 40 EGEB C[C@@H](Oc1ccn(-c2ccccc2)n1)C(=O)Nc1cccc(C#N)c1 227158724 JIVVCWCQDIFFDG-CQSZACIVSA-N 332.363 3.150 30 40 EGEB COc1cccc(SCC(=O)N[C@@H](C#N)c2ccc(F)cc2F)c1 79048890 KILFTVWXYMBTPN-INIZCTEOSA-N 348.374 3.447 30 40 EGEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCCC[C@@H]4CO)[C@H]3C[C@H]12 12662150 WNVZVCLBASTOLF-WDMXLXEJSA-N 347.499 3.147 30 40 EGEB CC[C@H]1c2ccsc2CCN1S(=O)(=O)c1ccc(C#N)cc1 15359471 NCIUXLKZNNKNHJ-HNNXBMFYSA-N 332.450 3.318 30 40 EGEB O=S(=O)(NN=C1C2CC3CC(C2)CC1C3)c1ccc(Cl)cc1 484488 MHGBPGHXNJWNOZ-UHFFFAOYSA-N 338.860 3.430 30 40 EGEB CCCc1nc2ccccc2c(=O)n1/N=C/c1ccc([N+](=O)[O-])cc1 545902 LOFOPCZAUATTCT-XDHOZWIPSA-N 336.351 3.139 30 40 EGEB Cc1nn(CCC#N)c(C)c1CCC(=O)N(C)Cc1ccsc1 24050374 YPWMTAPQRVYSSW-UHFFFAOYSA-N 330.457 3.066 30 40 EGEB N#Cc1ccsc1NC(=O)CN[C@@H](c1ccccc1)c1ccccn1 25417904 NFLNTUQRBSQUQF-SFHVURJKSA-N 348.431 3.332 30 40 EGEB C=CCSCC(=O)O[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 107145442 STQMBNDJBCTYRZ-HZSPNIEDSA-N 341.473 3.094 30 40 EGEB Cc1ccccc1-n1ccnc1SCC(=O)NC1(C#N)CCCC1 12530386 VHSZMKNELMNSIF-UHFFFAOYSA-N 340.452 3.225 30 40 EGEB C[C@@H](Oc1cc(F)ccc1[N+](=O)[O-])C(=O)Nc1cccc(C#N)c1 4975874 MYZOICWUEQEHFB-SNVBAGLBSA-N 329.287 3.012 30 40 EGEB CC1CCN(C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@H]4C[C@H]23)CC1 5950647 CDNNTTNHJTXEIK-ZPMOIGASSA-N 347.499 3.245 30 40 EGEB biogenic N#Cc1ccc(SCc2nnnn2C2CC2)cc1C(F)(F)F 97050288 SEOWIRUPMBZDGV-UHFFFAOYSA-N 325.319 3.191 30 40 EGEB C=CCc1cccc(/C=N\N2CCN(Cc3ccccc3)CC2)c1O 28349859 LWAMRPZXYOPFHT-JWGURIENSA-N 335.451 3.272 30 40 EGEB CCCc1nnc(S[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)o1 95994661 FMHNBAVSFKXHFR-CQSZACIVSA-N 342.424 3.181 30 40 EGEB FC(F)(F)c1nnc2n1N/C(=N\c1ccc(Cl)cc1)CS2 26506447 WHHLLTIWVYUWCA-UHFFFAOYSA-N 333.726 3.330 30 40 EGEB C[C@H]1C[C@@H](C)CN(C(=O)CSc2nc3c(cc2C#N)CCC3)C1 215682500 VINHSZBNEYTQEN-BETUJISGSA-N 329.469 3.039 30 40 EGEB C=CCN(Cc1ccc(C#N)cc1)C(=O)c1ncoc1[C@@H]1CCCO1 79357900 ACVQMKOLZYNEFJ-INIZCTEOSA-N 337.379 3.226 30 40 EGEB CCO[C@]1(C(=O)Nc2ccc(OC(C)=O)cc2C#N)CCC[C@H](C)C1 225833426 GGXFUKJTEMEVLY-ORAYPTAESA-N 344.411 3.407 30 40 EGEB C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)NCC(F)F 585117476 FXDISKCCHJGROF-GFCCVEGCSA-N 331.407 3.161 30 40 EGEB CC(C)/N=C1/S[C@H](CC(=O)Nc2ccccc2)C(=O)N1C(C)C 13151347 OCSQFVYPJRBREW-IAFNSTAXSA-N 333.457 3.132 30 40 EGEB COc1cccc([C@]2(O)CC[C@H]3CN(Cc4ccc(C#N)cc4)C[C@@H]32)c1 13568926 KMCCQEQBARDROD-YUXAGFNASA-N 348.446 3.296 30 40 EGEB Cc1ccc(-n2nnnc2C/C=N/Nc2ccc(Cl)cc2)cc1 4370566 PPAOBOHNCAUWEH-WOJGMQOQSA-N 326.791 3.265 30 40 EGEB N#CC1(C#N)[C@H]2CCCC[C@@]23OC(=N)[C@@]1(C#N)[C@@H](c1cccs1)O3 102706658 BVAZBPHICLDVKX-BQGCOEIASA-N 338.392 3.257 30 40 EGEB Cn1ccnc1-c1cccc(NC(=O)NCc2cc(C#N)ccc2F)c1 76069921 NAFWERACZFLHRD-UHFFFAOYSA-N 349.369 3.420 30 40 EGEB Cc1nnc(SCC(=O)N(C)[C@@H]2CCCC[C@@H]2C)c(C#N)c1C 97080559 VYLGSWZIHXMOJV-XHDPSFHLSA-N 332.473 3.094 30 40 EGEB COc1ccc2c(C)cc(SCC(=O)N(C)CCC#N)nc2c1 12532038 CIHNHPYZDQJROC-UHFFFAOYSA-N 329.425 3.016 30 40 EGEB N#C[C@@H](C(=O)COc1ccc(Cl)cc1)c1nc2ccccc2[nH]1 3263837 ZEXBXSOJOQEMSQ-ZDUSSCGKSA-N 325.755 3.472 30 40 EGEB CCOC(=O)c1ccc(CO/N=C/c2cccc([N+](=O)[O-])c2)cc1 24522781 PUSRHTGOYMLCRB-WOJGMQOQSA-N 328.324 3.322 30 40 EGEB C=CCc1ccc(OCC(=O)NCc2ccc(F)cc2)c(OC)c1 14069688 FLNITVCUJOEJFB-UHFFFAOYSA-N 329.371 3.258 30 40 EGEB CC/N=C1\S[C@H](CC(=O)Nc2c(C)cc(C)cc2C)C(=O)N1CC 5705713 NSWSTHHLQCSPJL-ORIGZDJFSA-N 347.484 3.280 30 40 EGEB CC(=O)C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1cccc(F)c1 4870979 QSYYCZZOFYLRLY-GOSISDBHSA-N 339.366 3.353 30 40 EGEB C[C@H](NC[C@H](c1cccs1)N1CCOCC1)c1ccc(C#N)cc1 72287937 QMGLUPVGKNJVMS-MAUKXSAKSA-N 341.480 3.344 30 40 EGEB OCC#CCSc1nnc(COc2ccc(Cl)cc2Cl)o1 9614819 KNVMNZUSNYXKJG-UHFFFAOYSA-N 345.207 3.043 30 40 EGEB COCc1nc(C)c(C(=O)N[C@H](C#N)c2ccccc2Cl)s1 95442910 VODFJIROUIAHSF-GFCCVEGCSA-N 335.816 3.246 30 40 EGEB N#CC1(C#N)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218341153 PQLQJQAZOTUGKG-CVEARBPZSA-N 342.807 3.313 30 40 EGEB CC[C@@H](C)Sc1nc(N)c(C#N)c(COc2ccccc2OC)n1 223690523 JPQMVJGTINZHIN-LLVKDONJSA-N 344.440 3.409 30 40 EGEB Cc1nn(C)c(C)c1[C@H](OC(=O)c1cccc(C#N)c1)C(F)(F)F 96473438 DRXARCMUQSSPON-AWEZNQCLSA-N 337.301 3.369 30 40 EGEB C=CCNc1nnc(SCC(=O)Nc2ccc(C)c(F)c2)s1 5782789 RYYQPRDYMCHDNE-UHFFFAOYSA-N 338.433 3.314 30 40 EGEB C[C@H](Sc1nc2ccccc2n1CCC#N)C(=O)NC1CCCC1 25044494 QRQXZCZSOJIBRD-ZDUSSCGKSA-N 342.468 3.489 30 40 EGEB Cc1cc(C(F)F)nn1CC(=O)Nc1sc2c(c1C#N)CCC2 2782490 SFTGKTXMOZIZRK-UHFFFAOYSA-N 336.367 3.190 30 40 EGEB CC(=O)OC[C@@H]1[C@H]2[C@@H]3CCC[C@@H]3[C@H]3[C@H]4C(=O)C5=C6[C@@H](CC5)[C@H]1[C@H]([C@H]64)[C@H]23 101139397 ACNQABZCVSHDBM-SLWOFSMBSA-N 338.447 3.239 30 40 EGEB O=c1c2[nH]c3ccccc3c2ncn1/N=C/c1ccc2ccccc2n1 500306 IMJAXLPSSNXSLE-SSDVNMTOSA-N 339.358 3.308 30 40 EGEB Cc1cccc(NC(=O)C[C@H]2S/C(=N/c3ccccc3)NC2=O)c1 12462817 SCUKWPHHDXDYBV-OAHLLOKOSA-N 339.420 3.243 30 40 EGEB CN(Cc1ccncc1)C(=O)c1ccc(COc2ccccc2C#N)o1 58159465 OVKVZYUNQTYZLH-UHFFFAOYSA-N 347.374 3.397 30 40 EGEB Cc1cc2ccccc2n1CC(=O)N(CCC#N)Cc1cccnc1 58325762 BOQRICDYHPPKLX-UHFFFAOYSA-N 332.407 3.287 30 40 EGEB N#Cc1cccc([C@@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)c1 11036639 ZSXDOUIRZXTJBJ-QFBILLFUSA-N 333.391 3.304 30 40 EGEB CCCCOc1ccccc1[C@@H]1C2=C(CCCC2=O)Nc2ncnn21 4368718 WWERDBQFQPIIRG-GOSISDBHSA-N 338.411 3.479 30 40 EGEB CN(Cc1cccc(Cl)c1)C(=O)COC(=O)c1ccc(C#N)cc1 18218806 LEGCBUSYQPAAAI-UHFFFAOYSA-N 342.782 3.027 30 40 EGEB Cc1ccccc1-n1nnnc1SCc1cn2ccccc2c1C#N 14183123 UMLSUAQBDABREO-UHFFFAOYSA-N 346.419 3.387 30 40 EGEB N#Cc1cccc(OCCn2nc(-c3ccccc3F)ccc2=O)c1 66264651 BWXDNJHISGJYCV-UHFFFAOYSA-N 335.338 3.000 30 40 EGEB Cc1nnc(C)n1/N=C/c1cn(-c2ccccc2)nc1-c1cccnc1 6943094 HENKZQPEYAOJRN-CIAFOILYSA-N 343.394 3.025 30 40 EGEB COc1cccc(CN(Cc2ccc(C#N)o2)C2CCC(O)CC2)c1 92966729 PEBXMNKFPGZKKM-UHFFFAOYSA-N 340.423 3.466 30 40 EGEB CC(C)(CCC#N)CNc1ccc(NS(C)(=O)=O)c(Cl)c1 95428649 SWHXGOJVJUCIEG-UHFFFAOYSA-N 329.853 3.453 30 40 EGEB CN(CCC#N)C(=O)Nc1cnn(-c2ccccc2Br)c1 95975333 OODTZAAGIKVBJW-UHFFFAOYSA-N 348.204 3.012 30 40 EGEB CC1=CC[C@@H](/C(C)=C/CC/C(C)=C/[C@@H]2C(=O)C(C)=C[C@H]2O)OC1=O 77257488 FPIGZCFWUBVDJZ-RMEUGASOSA-N 330.424 3.427 30 40 EGEB biogenic,in-vitro COc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)c(OC)c1 137931149 YAIDEHJKWGBDOB-XSFVSMFZSA-N 326.396 3.291 30 40 EGEB CCCOc1ccc([C@H](C)NC(=O)N2CCC(C#N)CC2)cc1OC 60989641 NUZQNOXTMZFPRH-AWEZNQCLSA-N 345.443 3.490 30 40 EGEB C=CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(C)=O 223471187 BBNXNSSBSBMQQD-LJQANCHMSA-N 340.398 3.218 30 40 EGEB Cc1ccccc1OCCN1C(=O)/C(=N\O)c2c(Cl)cccc21 46085236 KJWNLIKYWBLMRQ-MNDPQUGUSA-N 330.771 3.252 30 40 EGEB C[C@H](Cc1ccsc1)N(C)S(=O)(=O)c1cccc(F)c1C#N 96483575 RBDAWUDPQQHURQ-LLVKDONJSA-N 338.429 3.011 30 40 EGEB N#Cc1ccc(N2CCC[C@H](N3CCC=C(c4ccco4)C3)C2=O)cc1 586773600 YEPZWMQWXLQOJU-IBGZPJMESA-N 347.418 3.436 30 40 EGEB CCC[C@@H](C)c1cc(NS(=O)(=O)c2cccc(CC#N)c2)n[nH]1 619463333 KBNXKKRWDRLJEO-GFCCVEGCSA-N 332.429 3.180 30 40 EGEB CC(C)(C)c1cc(C(=O)N[C@H](C#N)c2cnn(-c3ccccc3)c2)no1 96426431 RSBBXSGGSDTRNO-MRXNPFEDSA-N 349.394 3.152 30 40 EGEB C=CCn1c(=S)[nH]c2cc(C(=O)N3CCCCCC3)ccc2c1=O 17321082 GKQPWHJKSOUONY-UHFFFAOYSA-N 343.452 3.261 30 40 EGEB COc1ccccc1NC(=O)CSc1nc(C)cc(C)c1C#N 303680 HRKZDLDBHYCWNC-UHFFFAOYSA-N 327.409 3.310 30 40 EGEB C=C(C)CN(CC)C(=O)c1sccc1NC(=O)c1ccncc1 69452442 REOZITOFQBIQGN-UHFFFAOYSA-N 329.425 3.434 30 40 EGEB CCOC(=O)C1=C(C)N=C(/N=C/N(C)C)S[C@@H]1c1ccccc1 100208408 DIQRXWJXPKXJSU-CLXYIWAZSA-N 331.441 3.258 30 40 EGEB COc1ccc(/C=C2/COc3c(F)cccc3C2=O)cc1[N+](=O)[O-] 106586768 MGANFJKUEDDTPE-XFFZJAGNSA-N 329.283 3.401 30 40 EGEB C[C@H]1CN(Cc2ccccc2C#N)CCN1Cc1ccccc1C#N 26669565 ARRKLICKXIWGLJ-KRWDZBQOSA-N 330.435 3.136 30 40 EGEB Cc1cccc(/C(O)=N/S(=O)(=O)Cc2ccccc2C#N)c1C 48505094 PIFBWLQALIRLLB-UHFFFAOYSA-N 328.393 3.010 30 40 EGEB CCc1sc(C(=O)OCC(=O)[C@@H](C#N)c2nc(C)cs2)cc1C 7837058 DIKBINNYHMZEFP-LLVKDONJSA-N 348.449 3.417 30 40 EGEB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1cccc(C#N)c1 8388282 MGIGACUWNBSLAA-UHFFFAOYSA-N 330.391 3.291 30 40 EGEB C=C(C)CSc1nnc(N2CCOCC2)n1-c1cccc(C)c1 71801908 YNHXGEQROAUPMZ-UHFFFAOYSA-N 330.457 3.081 30 40 EGEB CCN(C[C@H](C)C#N)C(=O)CN(C)Cc1ccc(Cl)c(Cl)c1 97473546 NMOLQGSTMMUWST-GFCCVEGCSA-N 342.270 3.433 30 40 EGEB COC(=O)c1cccc(/N=C/[C@@H]2C(=O)N(c3ccccc3)N=C2C)c1 408739738 FCZBXOHCSXMSNH-RONKMWSCSA-N 335.363 3.214 30 40 EGEB Cc1c(/N=C/c2ccc(N3CCOCC3)c(F)c2)cccc1C(=O)O 409135811 RECWSAIXGMZWOO-CIAFOILYSA-N 342.370 3.420 30 40 EGEB N#C[C@@H](c1c(F)cccc1Cl)N1CCC(N2CCCC2=O)CC1 96443324 LCXQFEHBOHPINF-HNNXBMFYSA-N 335.810 3.131 30 40 EGEB COc1ccc(C)cc1C1(CNc2ncccc2C#N)CCOCC1 57149849 MZFCFWOGNCHOGG-UHFFFAOYSA-N 337.423 3.431 30 40 EGEB CC1=CC(=O)C(C(C)C)=C/C1=N\OC(=O)c1ccc([N+](=O)[O-])cc1 5197203 RZPHOTZWSNEMTP-OBGWFSINSA-N 328.324 3.219 30 40 EGEB C[C@@H]1S/C(=N\N=C\c2ccco2)N(Cc2ccc(F)cc2)C1=O 6129737 PUNDVMYMRBBBEF-NOTPJJMNSA-N 331.372 3.273 30 40 EGEB COc1ccccc1/C=N/NC(=S)NC12CC3CC(CC(C3)C1)C2 16919485 PTICKMBHPWSRSF-UDWIEESQSA-N 343.496 3.462 30 40 EGEB Cc1ccc(OCCN2C(=O)CS/C2=C\C(=O)C(C)(C)C)cc1 5403974 OQUFJPZIKXRCMP-BOPFTXTBSA-N 333.453 3.406 30 40 EGEB COc1ccc(OC)c(/C(O)=N/S(=O)(=O)/C=C/c2ccccc2)c1 40153191 QVWQRGRHJCAHME-ZHACJKMWSA-N 347.392 3.009 30 40 EGEB C[C@H]1CCc2c(C(=O)[C@@H](C#N)C(=O)Nc3ccccn3)csc2C1 102387402 VCPROIRKSMYFKZ-WCQYABFASA-N 339.420 3.229 30 40 EGEB C#Cc1cccc(NS(=O)(=O)c2ccc(Br)s2)c1 22475069 UPKYQCSQWHHTOT-UHFFFAOYSA-N 342.239 3.293 30 40 EGEB N#C[C@@H](C(=O)CCSc1ccccc1F)C(=O)Nc1ccccn1 104055634 HBMICVQOSFXYJU-LBPRGKRZSA-N 343.383 3.050 30 40 EGEB COc1ccc(CON=C2CCN(C(=O)C(C)(C)C)CC2)cc1F 54209059 XCMVBNMXMWFVBT-UHFFFAOYSA-N 336.407 3.375 30 40 EGEB CN(CCC(=O)N1CCc2sccc2C1)Cc1ccc(C#N)cc1 55901782 JGSUKFARONBXSB-UHFFFAOYSA-N 339.464 3.027 30 40 EGEB COc1ccc(C(=O)/C=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)cc1 35600431 LTQZENFKBZSLGY-FPYGCLRLSA-N 329.308 3.214 30 40 EGEB O/C(=N\c1nc(-c2ccccn2)n[nH]1)[C@@H]1Cc2cc(Cl)ccc2O1 44978200 QVGDUIONQGKFKZ-ZDUSSCGKSA-N 341.758 3.112 30 40 EGEB N#Cc1ccc(S(=O)(=O)/N=C(\O)C23CC4CC(CC(C4)C2)C3)cc1 48496762 XHAKJMHXALFIHH-UHFFFAOYSA-N 344.436 3.420 30 40 EGEB N#Cc1cnc(NCCC(=O)N2CCc3sccc3C2)c(Cl)c1 69515911 OYKCHFATXHRDBP-UHFFFAOYSA-N 346.843 3.055 30 40 EGEB Cn1cc([C@@H]2C[C@H]2C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cn1 69149199 GGKGLJIDSRZMLK-LSDHHAIUSA-N 349.419 3.157 30 40 EGEB CCCCCCCCNC(=O)C(=O)NCCc1c[nH]c2ccccc12 408710059 NJDUJPKDSFZGMY-UHFFFAOYSA-N 343.471 3.303 30 40 EGEB COc1ccc(-n2cccc2/C=N/Nc2ncccc2[N+](=O)[O-])cc1 408951593 JEZKFURROZPEQW-XDHOZWIPSA-N 337.339 3.235 30 40 EGEB CSc1nc(C(=O)[C@@H](C#N)c2nc(C)cs2)c2ccccn12 76763773 WPUNEKFEMHTNTG-SNVBAGLBSA-N 328.422 3.311 30 40 EGEB O=S(=O)(Cc1ccccc1Cl)/N=C(\O)CCc1cscn1 83791366 SMQAYWGLWZDDBB-UHFFFAOYSA-N 344.845 3.216 30 40 EGEB CC(=O)N1CCC(C(=O)O[C@@H](C)CCCC#C[Si](C)(C)C)CC1 585135750 ABGHPUUGWOJZKE-HNNXBMFYSA-N 337.536 3.228 30 40 EGEB CCC(CC)n1ccc(C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)n1 676247378 YMBCLXYZKPFVTL-CQSZACIVSA-N 340.431 3.052 30 40 EGEB C[C@H]1CC(=O)C2=C(C1)Nc1nonc1N[C@H]2c1ccc2ncccc2c1 12324838 POWUMKGEISIKOE-QGHHPUGFSA-N 347.378 3.450 30 40 EGEB Cc1occc1-c1nnc(SCC(=O)O)n1/N=C/[C@@H]1CC=CCC1 8049936 XNLXAORINAJCRS-UDPFGDFPSA-N 346.412 3.213 30 40 EGEB N#CC1(c2ccccc2)CCC(NCCc2nnc3ccccn23)CC1 8039146 OVLOARCARGGYSW-UHFFFAOYSA-N 345.450 3.266 30 40 EGEB C=CCc1cc(C(=O)NOCc2ccccc2)cc(OC)c1OC 23040101 NJCGASKKJAHWLY-UHFFFAOYSA-N 327.380 3.294 30 40 EGEB CCN1CCN(c2ccc(NC(=O)c3ccc(C#N)cc3)cc2C)CC1 12553396 JZSIHXIXJSMVPU-UHFFFAOYSA-N 348.450 3.261 30 40 EGEB N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCCC3)c2)c1 48125345 YCPAILBJXKGKFB-UHFFFAOYSA-N 334.379 3.438 30 40 EGEB C#CCN(Cc1ccc(F)cc1)C(=O)CSCc1c(C)noc1C 58289833 BUMQDTDEXDAGNI-UHFFFAOYSA-N 346.427 3.326 30 40 EGEB C=CCOC(=O)c1c2c(n3ccccc13)C(=O)c1ccccc1C2=O 3635753 TUOQPXOQFSGLJH-UHFFFAOYSA-N 331.327 3.058 30 40 EGEB O=C1CSC(=O)N1C/C(=N/Nc1ccccc1)c1ccccc1 5034905 LZXXHZJKPMRWSE-CYVLTUHYSA-N 325.393 3.198 30 40 EGEB Cc1noc(-c2ccccc2)c1/C(O)=N/S(=O)(=O)C1CCCC1 97141045 QZSMEULOOMBDSN-UHFFFAOYSA-N 334.397 3.227 30 40 EGEB CC[C@H](CC#N)NC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F 97141412 ROVNYHAFSFELBH-SNVBAGLBSA-N 342.321 3.478 30 40 EGEB C/N=C(\NCc1ccsc1)NC[C@H]1CCO[C@H]1c1ccccc1 89597925 URKCRVQPILTWLD-SJORKVTESA-N 329.469 3.191 30 40 EGEB CN1CCN(C(=O)/C=C/c2ccc(C#N)cc2)[C@H](c2ccccc2)C1 30029696 CHHGOTZHUZOYOP-SGWGQVFISA-N 331.419 3.087 30 40 EGEB CC(=O)Oc1ccc2c(c1)[C@H]1c3ccccc3[C@H]2[C@@H]2C(=O)C=CC(=O)[C@@H]21 229904126 JSOZWJZOWBXDAX-YUMYIRISSA-N 344.366 3.143 30 40 EGEB C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(OC)cc1 224851645 FVLKTXCGPJUXBR-UHFFFAOYSA-N 333.409 3.085 30 40 EGEB CC(C)[C@H]1N(S(=O)(=O)Cc2cccc(C#N)c2)CC12CCCC2 333060911 IHWNALFHPGGBGI-QGZVFWFLSA-N 332.469 3.289 30 40 EGEB C=CCN(c1cccc(F)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224753105 KAHBQVCYPZVASH-UHFFFAOYSA-N 336.344 3.115 30 40 EGEB Cc1ccc(C)c(S(=O)(=O)N/N=C2\C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)c1 585145822 RZZUHTPVWLUVKO-JNIUIJPYSA-N 332.469 3.394 30 40 EGEB N#Cc1ccc(F)c(COC(=O)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)c1 102575491 RCRDDVJUZBRVRQ-CXTCDGGRSA-N 329.371 3.072 30 40 EGEB Cc1c(C#N)c(NC(=O)Cn2ccnc2)n(C2CCCCC2)c1C 12525222 VFHQBOSSYASAIK-UHFFFAOYSA-N 325.416 3.317 30 40 EGEB C=CCOn1c(=O)c(-c2cccc3ccccc23)[n+]([O-])c2ccccc21 2339747 YRXMIBZRVCQIAH-UHFFFAOYSA-N 344.370 3.070 30 40 EGEB COc1cccc(/C=C2\CS(=O)(=O)c3ccc(Cl)cc3C2=O)c1 11333265 SDTGXEGJGPSFIK-KPKJPENVSA-N 348.807 3.402 30 40 EGEB CC(C)COCC/C(O)=N/S(=O)(=O)c1ccc(Cl)s1 48461354 SHLGCNIPSWTJBC-UHFFFAOYSA-N 325.839 3.109 30 40 EGEB C[C@@H]1CN(Cc2ccccc2CNCc2cccc(C#N)c2)C[C@@H](C)O1 48816760 QSLBYWONKSGKLV-QZTJIDSGSA-N 349.478 3.457 30 40 EGEB CC(=O)Nc1cccc(OCCNc2snc(Cl)c2C#N)c1 69698407 RHZOVPQXIDWZDV-UHFFFAOYSA-N 336.804 3.117 30 40 EGEB CC/N=C1\S/C(=C/c2cc3c(cc2OCC)OCO3)C(=O)N1CC 4649347 PCRZMYQLIZEGHM-VRXAYQBPSA-N 348.424 3.126 30 40 EGEB CC(C)Oc1ccc(/C=N/CC[C@]2(O)C[C@H](C)N(C)C[C@H]2C)cc1 4815140 CLJGDQRPOPPOBX-KMRLEGMCSA-N 332.488 3.374 30 40 EGEB N#Cc1cccc(NCC(=O)Nc2ccc(Br)cc2)c1 4904553 KYGARUAZVKCAJQ-UHFFFAOYSA-N 330.185 3.371 30 40 EGEB N#Cc1cccc(/C=C/C(=O)N(C[C@H]2CCCO2)c2ccncc2)c1 72284836 XZAGADHNVCQGBJ-OVKVCFKUSA-N 333.391 3.179 30 40 EGEB C[C@@H](Oc1cccc(C#N)c1)C(=O)N1CCC[C@@H](C(F)(F)F)C1 71825461 CGYIVJMPTQKYGQ-DGCLKSJQSA-N 326.318 3.126 30 40 EGEB CC(C)c1nc(CCNC(=O)NCc2ccc(C#N)cc2)cs1 71924630 UUBMVHVFEROWFN-UHFFFAOYSA-N 328.441 3.180 30 40 EGEB CCN([C@@H](C)c1cc2ccccc2o1)S(=O)(=O)CC1(C#N)CC1 97379586 SXTQPKVBLCLBPH-ZDUSSCGKSA-N 332.425 3.449 30 40 EGEB N#Cc1ccccc1CN1CCC(C(=O)NCc2cccs2)CC1 95405150 AJHJUSSTUSLLTE-UHFFFAOYSA-N 339.464 3.148 30 40 EGEB Cc1cc(S(=O)(=O)N(CC#N)C2CCCC2)c(Cl)cc1F 95966119 ADRDUBOVCWMLJY-UHFFFAOYSA-N 330.812 3.244 30 40 EGEB C=C(C)COc1ccccc1[C@H]1CC(=O)Oc2cc(C)n(C)c(=O)c21 524734109 XNKKHUGREGWVQW-OAHLLOKOSA-N 339.391 3.090 30 40 EGEB COc1cc(OC)cc([C@@H]2CCN(C(=O)c3sccc3C#N)C2)c1 81641675 HAZOHZFKTCOWKG-CYBMUJFWSA-N 342.420 3.267 30 40 EGEB Cc1cc(C#N)cc(NCC(=O)OC(C)(C)C)c1Br 199829545 QKBFYPXNGBEGEQ-UHFFFAOYSA-N 325.206 3.383 30 40 EGEB C=CCOC[C@@]12CCCO[C@@H]1CCN(C(=O)c1sccc1C)C2 96039664 CXBABLGHEGYBNP-QAPCUYQASA-N 335.469 3.270 30 40 EGEB C=CCOC[C@@]12CCCO[C@H]1CCN(C(=O)CCc1ccccc1)C2 96039680 KFIZJKWVWHJLIJ-FPOVZHCZSA-N 343.467 3.220 30 40 EGEB Cc1nc(S(=O)(=O)N(C)[C@@H](C)CC#N)c(-c2ccccc2)s1 585115558 GTXUQKUWSGWAIM-NSHDSACASA-N 335.454 3.041 30 40 EGEB COc1ccc([C@@H]2[C@@H](C#N)[C@H]2S(=O)(=O)c2ccc(C)cc2)cc1 252515957 OXOYUCWPLXEMDI-KZNAEPCWSA-N 327.405 3.083 30 40 EGEB CN(CCN(C)/N=C/c1ccc(F)cc1)/N=C\c1ccc(F)cc1 19834121 UWNZCQKEYMUFLY-VOKWCDJLSA-N 330.382 3.196 30 40 EGEB O=C1N/C(=N\N=C\c2ccco2)S[C@H]1Cc1cccc(Cl)c1 4465340 YDYRFTKISCGOEC-YRUBURHZSA-N 333.800 3.097 30 40 EGEB CC(C)(C)c1nc(CN2CCN(c3ccc(C#N)cn3)CC2)cs1 52429082 BYYOOMJJQPTBJY-UHFFFAOYSA-N 341.484 3.029 30 40 EGEB CN(CCO)c1ccc(/C=N/Nc2nc3ccccc3s2)cc1 7894762 NYKVVMLNWSHOPI-LDADJPATSA-N 326.425 3.171 30 40 EGEB Cc1nn(C)c2nc(C(C)C)cc(C(=O)[C@H](C#N)c3ccccn3)c12 41482301 NNSASTBUGRQKPO-CQSZACIVSA-N 333.395 3.285 30 40 EGEB COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]nc(O)c32)cc1 12347467 BBBBQAZJXCCLDV-AWEZNQCLSA-N 339.395 3.325 30 40 EGEB CC/C(=N\Nc1ccc(C(=O)O)cc1)c1ccc2c(c1)OCCO2 96291537 ZYBZWVZQKCJPFT-HMMYKYKNSA-N 326.352 3.382 30 40 EGEB C[C@@H](Nc1ncc(C#N)cc1Cl)c1ccc(S(C)(=O)=O)cc1 58342333 PESBSLJNCOMIPU-SNVBAGLBSA-N 335.816 3.183 30 40 EGEB C=CCN(CC(F)(F)F)C(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 58342747 ZDCYIFQRYMKQFG-SECBINFHSA-N 344.358 3.310 30 40 EGEB COc1ccc(CNc2ncc(C#N)cc2Cl)cc1NC(C)=O 69510256 JSRXQSASIIEZSO-UHFFFAOYSA-N 330.775 3.186 30 40 EGEB CN(CCC#N)c1ccc(CN[C@H]2CCN(Cc3ccccc3)C2)cc1 39736750 OMXDSJXHJATKBG-NRFANRHFSA-N 348.494 3.401 30 40 EGEB COc1ccc(N[C@H](C)C(=O)Nc2cccc(C#N)c2)c(OC)c1 6831500 BFWSZNZUKKZUBT-GFCCVEGCSA-N 325.368 3.015 30 40 EGEB N#CCSCC(=O)Nc1ncc(Cc2ccc(F)cc2F)s1 84344289 VWMONFLRHLXYNX-UHFFFAOYSA-N 339.392 3.207 30 40 EGEB N#CCc1ccc(C(=O)Nc2ccc(OCC(=O)O)c(Cl)c2)cc1 95989798 IWFXVSHCTZGXFN-UHFFFAOYSA-N 344.754 3.122 30 40 EGEB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OC(C)=O)c(C#N)c1 225825867 AQJINJIMTWRRRK-GOSISDBHSA-N 332.400 3.407 30 40 EGEB CC[C@H](C)Sc1nc(N)c(C#N)c(COc2ccc(OC)cc2)n1 223694404 WOEYZZFOQZORTI-NSHDSACASA-N 344.440 3.409 30 40 EGEB C=CCO[C@@H]1CCN(C(=O)c2sccc2C)[C@H]1Cc1ccncc1 96200320 ZELPGCXEXNECNC-DLBZAZTESA-N 342.464 3.480 30 40 EGEB C=CCN1CC[C@@H](N(C)C(=O)Nc2ccc(C3CCC3)cc2)C1=O 281887365 GXCKFABMMMAULM-QGZVFWFLSA-N 327.428 3.205 30 40 EGEB N#Cc1ccnc(S[C@H](C(N)=O)c2ccc(Br)cc2)c1 69621679 DLFLNCRSLPTNBK-ZDUSSCGKSA-N 348.225 3.034 30 40 EGEB C[C@H](C#N)CN(C)C(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1 71185723 PEOBCIRWFNBRNJ-LLVKDONJSA-N 343.818 3.030 30 40 EGEB CC1=CC[C@H](/C(C)=C/CC/C(C)=C/[C@H]2C(=O)C(C)=C[C@@H]2O)OC1=O 230162020 FPIGZCFWUBVDJZ-QLYSCTIDSA-N 330.424 3.427 30 40 EGEB biogenic,in-vitro C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccco3)cc21 8959578 PMUALWSWZBPRPT-UHFFFAOYSA-N 340.379 3.470 30 40 EGEB Cc1ccc2c(c1)/C(=N/O)C(=O)N2CCOc1ccccc1Cl 101101657 PYWVBPGCEGESTP-MNDPQUGUSA-N 330.771 3.252 30 40 EGEB COc1ccc2[nH]cc(C[C@@H](C#N)C(=O)Nc3cccc(O)c3)c2c1 61719561 HLOYHKCBDPDUHJ-LBPRGKRZSA-N 335.363 3.203 30 40 EGEB CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)Nc2cccc(C#N)c2)C1 56357629 VFNMBTBAVGEKGC-HNNXBMFYSA-N 344.415 3.079 30 40 EGEB CCN(CCC#N)Cn1nc(-c2ccc(OC)cc2)n(CC)c1=S 58244164 RBWCINWWRVPDTE-UHFFFAOYSA-N 345.472 3.303 30 40 EGEB CC[C@H](C)N(C(=O)CSc1nc(C)nc(C)c1C#N)[C@@H](C)CC 12893269 RPEMSMLXRAOXSE-RYUDHWBXSA-N 334.489 3.483 30 40 EGEB COc1ccc(CN2C(=O)CS/C2=N\N=C\c2cccs2)cc1 13562955 CMCDKTVQCJHNCD-RGJFUNKGSA-N 345.449 3.222 30 40 EGEB N#Cc1c(Nc2ccccc2)c(/C=N/N=C/c2ccccc2)c[nH]c1=O 8691943 IQINVWKZELEQSD-GKZLBNLFSA-N 341.374 3.443 30 40 EGEB C#CCN1CCC(C(=O)Nc2ccc(-c3nc(C)cs3)cc2)CC1 65592705 WQJPVYFICFYXRZ-UHFFFAOYSA-N 339.464 3.402 30 40 EGEB CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)Nc2cccc(C#N)c2)C1 65610666 KBIZBIVGZAWPHK-GOEBONIOSA-N 342.443 3.107 30 40 EGEB CCOc1ccc(-n2nnc(C(=O)Nc3ccccc3C#N)c2C)cc1 4511663 MQLRYOBVPLONID-UHFFFAOYSA-N 347.378 3.098 30 40 EGEB COc1ccc(CCN(C)c2ccc([N+](=O)[O-])cc2C#N)cc1OC 4906138 JSJBIIBMBSXRTQ-UHFFFAOYSA-N 341.367 3.163 30 40 EGEB C=CCOc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 24614004 PMRICHLLBFFNCA-UHFFFAOYSA-N 348.380 3.269 30 40 EGEB C=C(C)COc1ccc([C@H]2CC(=O)Oc3cc(C)n(C)c(=O)c32)cc1 524734798 PKZLQJMZIBDTFY-MRXNPFEDSA-N 339.391 3.090 30 40 EGEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C(=O)N1/N=C/c1cccc2ccccc12 226346219 KCWQNWPQOBZSRR-WCAMQBHCSA-N 342.398 3.227 30 40 EGEB C=CCNC(=S)Nc1nc(Cl)cc(N2C[C@H](C)C[C@@H](C)C2)n1 225926427 LFBGLJQYTUKHGT-GHMZBOCLSA-N 339.896 3.085 30 40 EGEB Cc1nn(C)c(C)c1[C@@H](OC(=O)c1cccc(C#N)c1)C(F)(F)F 96473440 DRXARCMUQSSPON-CQSZACIVSA-N 337.301 3.369 30 40 EGEB C#CCCCCC(=O)N(C)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 1616022768 ZKNKXGYELWYPTI-ZDUSSCGKSA-N 341.377 3.116 30 40 EGEB Cc1cc(C)c2c(c1)CN(C(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)CC2 280130344 VELJECRSQCBNMW-LJQANCHMSA-N 343.430 3.442 30 40 EGEB CC(C)(C)OC(=O)[C@H]1C[C@H]2CC[C@H]1N2C(=O)Nc1ccc(C#N)cc1 1615571119 FMBSVAYQQSERCM-OWCLPIDISA-N 341.411 3.285 30 40 EGEB COc1cccc([C@@H](C)N2CCN(c3cc(C#N)cc(C)n3)CC2)c1 587872966 OMNBNRYDYZDDJU-MRXNPFEDSA-N 336.439 3.154 30 40 EGEB CCC/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1O 16611442 CWPIPBCSPMTYPZ-HTXNQAPBSA-N 346.452 3.492 30 40 EGEB N#Cc1ccc(NC(=O)COc2ccc(F)cc2Br)cc1 19847258 MAFDESZJFOJKPL-UHFFFAOYSA-N 349.159 3.477 30 40 EGEB CC(=O)Nc1cc(C(=O)[C@H](C#N)c2nc3ccccc3o2)ccc1F 60043350 LEKFOFKMDHDSBH-LBPRGKRZSA-N 337.310 3.415 30 40 EGEB Cc1ccc(OCC(=O)NC2(C#N)CCCCCC2)c([N+](=O)[O-])c1 32906960 CWQNFYKCSUJVJW-UHFFFAOYSA-N 331.372 3.015 30 40 EGEB N#Cc1cc(C(=O)N[C@H](c2cccc(F)c2F)C(F)(F)F)c[nH]1 97372831 AOOGHFVAMMXGAQ-GFCCVEGCSA-N 329.228 3.198 30 40 EGEB C#CCOC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1 53921195 PKAOCIFSGLVVLF-UHFFFAOYSA-N 327.405 3.042 30 40 EGEB COc1ccc(/N=C2\NC(=O)/C(=C\c3ccccc3O)S2)cc1 1023373 OEVYWWNSVBNLJA-XNTDXEJSSA-N 326.377 3.292 30 40 EGEB Cc1oc(-c2ccccc2)nc1CC(=O)NCC#Cc1ccccc1 24986787 HNWFFDZKAHQVIE-UHFFFAOYSA-N 330.387 3.360 30 40 EGEB C=CCN(c1ccccc1)S(=O)(=O)c1cc(NC(C)=O)ccc1C 12785161 VBUYMLZAXKRYRY-UHFFFAOYSA-N 344.436 3.335 30 40 EGEB N#Cc1ccc(NC(=O)CCNC(=O)c2ccsc2)cc1Cl 12749992 ZQASYRZUDNZUHI-UHFFFAOYSA-N 333.800 3.032 30 40 EGEB C=C(C)CN1CCC(NC(=O)N[C@H]2CCCC[C@H]2C(F)(F)F)CC1 72268207 GFIWBOQBGVXRKM-CABCVRRESA-N 347.425 3.447 30 40 EGEB N#CCOc1ccc(CC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)cc1 72275562 PYSUEXZNFNWYNC-UHFFFAOYSA-N 345.742 3.332 30 40 EGEB C[C@H](C#N)CSc1ccccc1NCC(=O)N[C@@](C)(C#N)C1CC1 69704040 MYVOXTJNBNPEQY-ACJLOTCBSA-N 342.468 3.159 30 40 EGEB C#CCOc1ccc(NC(=O)N2CCC(OCC3CC3)CC2)cc1 96434753 BEFIRKCSFZRTHP-UHFFFAOYSA-N 328.412 3.122 30 40 EGEB C=CCOc1ccc(NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1 408709611 VAMUVLBLWNXZPN-UHFFFAOYSA-N 344.798 3.160 30 40 EGEB CC[C@@H](C)CS(=O)(=O)/N=C(\O)c1sccc1Br 79029186 DLXQAYIHLFXLEI-SSDOTTSWSA-N 340.264 3.191 30 40 EGEB COc1cc(C#N)ccc1OCCN1CCC[C@H]1c1cccn1C 96419551 IJKMPHNQLHXNLG-KRWDZBQOSA-N 325.412 3.121 30 40 EGEB C=CCNC(=O)C1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 244333430 XPIJACQHPGFUMQ-UHFFFAOYSA-N 328.456 3.139 30 40 EGEB N#Cc1ccc(NC[C@@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)cn1 584387292 LYNZCAHOQSSUFX-OALUTQOASA-N 325.387 3.278 30 40 EGEB C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)CO)CC[C@@H]12 13543942 ZDYFFPNLCUDFDB-YFWFAHHUSA-N 328.452 3.472 30 40 EGEB CC(=O)/N=C1/NC(=O)/C(=C/c2ccc(-c3ccc(F)cc3F)o2)S1 5457911 MFUQWIWIAJSSOH-AUWJEWJLSA-N 348.330 3.331 30 40 EGEB N#CCCN(CCC#N)Cn1nc(-c2ccc(F)cc2)oc1=S 21320946 DMDXUXNRUZNROL-UHFFFAOYSA-N 331.376 3.099 30 40 EGEB C=CCCC(=O)N1[C@H]2CC[C@H]1CC(n1cc(Br)cn1)C2 1776008401 GAWOWXVWARLSQY-STQMWFEESA-N 338.249 3.306 30 40 EGEB CC1=Nc2ccccc2/C1=N/Nc1c(C)n(C)n(-c2ccccc2)c1=O 100556902 FJTUWSMBSWFJGJ-RELWKKBWSA-N 345.406 3.407 30 40 EGEB COC(=O)c1sc2c(C#N)c(Cl)nc(Cl)c2c1C(=O)OC 6626600 LZHVYDZUDHCYTI-UHFFFAOYSA-N 345.163 3.048 30 40 EGEB Cc1nnc(N2CCC(c3nc4ccccc4[nH]3)CC2)c(C#N)c1C 24055812 ZKGBNFHFIATOFL-UHFFFAOYSA-N 332.411 3.225 30 40 EGEB CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1N[C@H](C)c1ccc(C#N)cc1 107504938 HHTKHIBGSMVULF-IDHHARJASA-N 325.456 3.246 30 40 EGEB N#Cc1cccc(NC(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)c1 58244609 NOLXQOOMIYCPMF-OAHLLOKOSA-N 338.386 3.345 30 40 EGEB C[C@H](S[C@@H]1CCCN(c2cnn(C)c2)C1=O)c1ccc(C#N)cc1 78936072 DOQDBIYAYFVCAP-SUMWQHHRSA-N 340.452 3.282 30 40 EGEB CC[C@@H](C)n1nccc1NC(=O)[C@H](C)N(C)Cc1ccc(C#N)cc1 65590575 RKCJQVBPKKOHGY-CABCVRRESA-N 339.443 3.185 30 40 EGEB N#CCc1ccc(NC(=O)Cc2ccc(N3CCCC3=O)cc2)cc1 15030498 OAJPIQIASOVNIX-UHFFFAOYSA-N 333.391 3.061 30 40 EGEB CN1CC[C@H](CNc2nccnc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 97022646 NDCYBQIRXPAXDO-WBMJQRKESA-N 345.809 3.246 30 40 EGEB C[C@@H]1CN(C(=O)NCC#Cc2ccccc2)C[C@H](c2ccsc2)O1 84714201 OUJQRQYVCLDCGO-CRAIPNDOSA-N 340.448 3.271 30 40 EGEB CCCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(C#N)cc3)c2C)C1=O 409230144 WZCKJFXHGASBLO-WOJGMQOQSA-N 348.406 3.269 30 40 EGEB CCn1ncc(/C=N/Nc2nc(C3CC3)cc(C(F)(F)F)n2)c1F 225390930 YJYFQMMVPRQRSI-KPSZGOFPSA-N 342.300 3.174 30 40 EGEB N#Cc1cnccc1N1CC[C@]2(NC(=O)C3CCCCC3)CCC[C@H]12 1069231753 RYFUNNPTYRMBNQ-AZUAARDMSA-N 338.455 3.151 30 40 EGEB C[C@H](Nc1ccc2c(c1)CCO2)C(=O)N(CCC#N)c1ccccc1 96436890 BYANFFKCRUPXJL-HNNXBMFYSA-N 335.407 3.369 30 40 EGEB O=S(=O)(/N=C(\O)c1ccc(Oc2cccnc2)cc1)C1CCCC1 86055768 OKYDTVNRKFBHBV-UHFFFAOYSA-N 346.408 3.451 30 40 EGEB CC[C@H](CC#N)NC(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1 157615495 HUDJWHMVDIYUIL-PVBMHHQDSA-N 333.335 3.128 30 40 EGEB CSc1ccc([C@H]2C3=C(CCCC3=O)Nc3c(C#N)cnn32)cc1 44918473 BUFGNJUJIAUHRX-KRWDZBQOSA-N 336.420 3.499 30 40 EGEB N#Cc1ccc(-c2ccc(F)cc2)nc1SCC(=O)NC1CC1 377174 PHQNTJJFDCLCMF-UHFFFAOYSA-N 327.384 3.130 30 40 EGEB CC(C)[C@@](C)(C#N)NC(=O)CSc1nc2cc(Cl)ccc2[nH]1 2631014 CLAKNVSMSUXIRC-OAHLLOKOSA-N 336.848 3.363 30 40 EGEB N#Cc1ccc(-c2ccco2)nc1SCC(=O)Nc1nccs1 12250995 WCAYLWFTDKZDQN-UHFFFAOYSA-N 342.405 3.401 30 40 EGEB COc1ccc2oc(C)c(C(=O)Nc3cc(C)nn3CCC#N)c2c1 58192287 WTRJQHJABWGDDQ-UHFFFAOYSA-N 338.367 3.421 30 40 EGEB N#Cc1nc(C2CC2)oc1N1CCN(CCCc2ccccc2)CC1 29228452 WXSFFMWCVXARET-UHFFFAOYSA-N 336.439 3.178 30 40 EGEB CCc1cc2c(=O)n(Cc3cn4ccccc4c3C#N)cnc2s1 48304130 NHEWKRXPXPQXSM-UHFFFAOYSA-N 334.404 3.193 30 40 EGEB O=C(O)c1ccc(/C=C/C(=O)c2ccc(N3CCOC3=O)cc2)cc1 64331673 OILMTKXZNQSPJB-XCVCLJGOSA-N 337.331 3.238 30 40 EGEB N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 14157661 DOYHJLLMOHXSBQ-SFHVURJKSA-N 339.826 3.363 30 40 EGEB N#C[C@H](C(=O)c1ccc(N2CCCC2)nc1)c1nc2ccccc2[nH]1 97141466 CYNZIBJGASXYTP-CQSZACIVSA-N 331.379 3.048 30 40 EGEB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)Nc1sc2c(c1C#N)CCCCC2 71286910 MBINNKZANNFZCF-STQMWFEESA-N 332.425 3.184 30 40 EGEB C=CCOc1cccc(NS(=O)(=O)c2ccc(OC)c(F)c2)c1 42645561 XGCMNXXKUBAGME-UHFFFAOYSA-N 337.372 3.200 30 40 EGEB Cc1c(OCC(=O)N(CCC#N)c2ccccc2)cccc1[N+](=O)[O-] 48355248 XCQXGQMIAAUGRW-UHFFFAOYSA-N 339.351 3.229 30 40 EGEB Cc1ccc(N/N=C2\C(=O)N(C3CSC3)c3ccc(F)cc32)cc1 223752892 LSIWUPIIGRPBSS-FXBPSFAMSA-N 341.411 3.412 30 40 EGEB N#Cc1ccc(CCC(=O)NCc2ccnc(-c3cccnc3)c2)cc1 225640099 ZBUDUYHLEMAZSR-UHFFFAOYSA-N 342.402 3.264 30 40 EGEB Cc1ccc(S(=O)(=O)/N=C(\O)[C@@H]2C[C@H]2c2ccco2)cc1N(C)C 96475770 AZEMSEPEEOSNRW-ZIAGYGMSSA-N 348.424 3.103 30 40 EGEB N#C[C@@H]1CCC[C@@H]1NC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl 585121641 UVMJBNVVBKOANL-RCOVLWMOSA-N 346.145 3.463 30 40 EGEB N#Cc1ccc(OS(=O)(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 585115924 ZTUQWSAFZAQXST-DGCLKSJQSA-N 333.331 3.388 30 40 EGEB N#Cc1cc(F)c(NCc2ccc(C(=O)NC3CC3)cc2)c(F)c1 58293321 UIOUXGAZBSHTHL-UHFFFAOYSA-N 327.334 3.341 30 40 EGEB C[C@H](NC[C@@H]1CCCO[C@H]1c1cn[nH]c1)c1ccc(C#N)c(F)c1 599083579 SGDZJIOUMXXFCX-XLWVJDPXSA-N 328.391 3.239 30 40 EGEB CN(/N=C/c1cc(Br)cs1)c1ccc(Cl)nn1 4276789 WXEWQMZBPZGXMF-WLRTZDKTSA-N 331.626 3.424 30 40 EGEB Cn1c(CN2CCN(Cc3ccccc3)CC2)c(C#N)c2ccccc21 20458847 PVERPFGRPQBZNM-UHFFFAOYSA-N 344.462 3.368 30 40 EGEB N#Cc1ccc(CSc2nnc(-c3ccc(Cl)cc3)n2N)cc1 4288044 LGLZALJTPPMFPL-UHFFFAOYSA-N 341.827 3.476 30 40 EGEB CCc1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2c(C)noc2C)cc1 103504566 DYGWVWCYMDBCGG-KRWDZBQOSA-N 339.395 3.134 30 40 EGEB N#Cc1nccnc1N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 76063808 SSOHWYAOILQAAU-GFCCVEGCSA-N 345.353 3.031 30 40 EGEB C=CCO[C@@H]1[C@H]2CC[C@H]1N(C(=O)c1cc3ccccc3o1)CCO2 107720913 RCBWXDAXXOWMPH-KYJSFNMBSA-N 327.380 3.007 30 40 EGEB Cn1c([C@H](C#N)C(=O)COc2ccc(Cl)cc2)nc2ccccc21 12575630 JOTIMNYSOZQGJW-CQSZACIVSA-N 339.782 3.482 30 40 EGEB CC1CCN(C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@@]45O[C@H]5[C@@H]32)CC1 12660002 ASHKYTHYJZVSKW-BJFZXJCHSA-N 347.499 3.244 30 40 EGEB biogenic CCCS(=O)(=O)c1ccc(C(=O)[C@H](C#N)c2nc(C)cs2)cc1 76764036 JFRYMAUQNRINGZ-AWEZNQCLSA-N 348.449 3.125 30 40 EGEB O=C(C[n+]1ccc2ccccc2c1)Nc1ccc(OC(F)F)cc1 3301976 HMRFBHXYNXRXIW-UHFFFAOYSA-O 329.326 3.367 30 40 EGEB C#CCN(Cc1ccc(F)cc1)C(=O)CCCc1nc(CCC)no1 58332160 TZPGIZWYHDDOFX-UHFFFAOYSA-N 343.402 3.146 30 40 EGEB N#Cc1cccc(S(=O)(=O)Nc2ccc(N3CCCC3)c(F)c2)c1 58344724 KHGWFUDHUDRHGJ-UHFFFAOYSA-N 345.399 3.098 30 40 EGEB C[C@H](Nc1ccc(C#N)cn1)[C@H](O)c1ccc(Br)cc1 58341579 FHNAFUNYKXPJBQ-BONVTDFDSA-N 332.201 3.250 30 40 EGEB O=C(C[C@H]1S/C(=N/c2ccccc2)NC1=O)Nc1ccc(F)cc1 3627817 HSLARZPBQUOKTO-CQSZACIVSA-N 343.383 3.074 30 40 EGEB O=C1C[C@@H](c2ccccc2)N1/N=C/c1cc(Br)ccc1O 71281377 BEAQWFCNVPZFBD-XKYMITNMSA-N 345.196 3.462 30 40 EGEB C=CCN1C(=S)SC(C)(C)[C@H]1/[N+]([O-])=C/c1ccccc1OC 4785582 UYRCRUUNGCPQQJ-JVVDOCDTSA-N 336.482 3.249 30 40 EGEB C/N=C1/S/C(=C/c2cc(C)n(-c3cc(C)ccn3)c2C)C(=O)N1C 408930333 VPDMKEIFSGSTJG-YYWHJSAJSA-N 340.452 3.329 30 40 EGEB COC(=O)c1c(/N=C/c2cc(C)ccc2O)sc2c1CCN(C)C2 4811497 WGGRSGCMCNLCFM-DJKKODMXSA-N 344.436 3.287 30 40 EGEB CCCN(CCC)c1nc2ccccc2nc1[C@@H](C#N)C(=O)OC 4901675 CGHAQWBHLAFCHN-CYBMUJFWSA-N 326.400 3.036 30 40 EGEB CCOC(=O)C/C(=N\Nc1ncnc2ccccc12)c1ccccc1 6935933 LUPPDGTURPREON-OQKWZONESA-N 334.379 3.399 30 40 EGEB C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(C[C@H](C#N)CCC#N)C1=O 7201638 VLHQFJRKXPTZDF-XOBRGWDASA-N 346.390 3.050 30 40 EGEB COc1ccc2[nH]cc(CC(=O)N[C@H](C#N)c3ccccc3OC)c2c1 68357947 AVOSMFGPCMBIMH-GOSISDBHSA-N 349.390 3.109 30 40 EGEB COc1ccccc1-c1cc(C(=O)O)c2c(C)nn(CCC#N)c2n1 7987499 GKICOIUBDYILFR-UHFFFAOYSA-N 336.351 3.027 30 40 EGEB N#CCCCOc1cccnc1NC(=O)COc1ccc(Cl)cc1 69489160 QJPOSGLGNNXZOF-UHFFFAOYSA-N 345.786 3.435 30 40 EGEB Cn1cc(/C=C2\COc3ccc(F)cc3C2=O)c(-c2ccncc2)n1 98052726 MUUMISNUCHWCOU-RIYZIHGNSA-N 335.338 3.280 30 40 EGEB Cc1cccc(N2C(=O)NC(=O)[C@H](C=Nc3ccc(C)cc3C)C2=O)c1 408536822 SOYMDZDGCQTWDF-INIZCTEOSA-N 349.390 3.213 30 40 EGEB Cc1ccc2cccc(C(=O)NCc3cccc(OCC#N)c3)c2n1 78114448 PKVIAZNJDGUHBK-UHFFFAOYSA-N 331.375 3.376 30 40 EGEB O=C1[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1cccc2ccccc12 226346226 KCWQNWPQOBZSRR-XKCXPKNDSA-N 342.398 3.227 30 40 EGEB CC[C@@H](C)n1ncc(/C(O)=N/S(=O)(=O)CC2CCC2)c1C1CC1 89986962 VDVDZGBEYJDKBK-LLVKDONJSA-N 339.461 3.166 30 40 EGEB C[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)C1CCOCC1 96477411 KBTIGMFQWMSQNV-WMLDXEAASA-N 331.435 3.071 30 40 EGEB Cc1cc(F)c(S(=O)(=O)/N=C(\O)C[C@H](C)n2cccc2)cc1F 96474027 LWRBNSYCDYCGAB-NSHDSACASA-N 342.367 3.371 30 40 EGEB C=CCN(CC(F)(F)F)C(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 58342748 ZDCYIFQRYMKQFG-VIFPVBQESA-N 344.358 3.310 30 40 EGEB C/C(=N\NC(=S)Nc1nccs1)c1nccc2ccccc12 16940592 AXEADIYGQILAQN-VXLYETTFSA-N 327.438 3.402 30 40 EGEB C=CCN1C(=O)c2ccc(C(=O)Nc3cc(C)ccc3C)cc2C1=O 6879106 JMMQLLAOVXIKKL-UHFFFAOYSA-N 334.375 3.338 30 40 EGEB COC(=O)Cc1ccc2c(c1)[C@@H]1OCCC[C@H]1[C@](C)(CCC=O)O2 2037873526 SYMRLVIXLLYALR-MNEFBYGVSA-N 332.396 3.000 30 40 EGEB COc1ccc(-c2nnc(S[C@H](C)C#N)n2C[C@H]2CCCO2)cc1 3427941 YDRLZBHIDOKQCS-IUODEOHRSA-N 344.440 3.137 30 40 EGEB CC(=O)c1cc(CCC(=O)OCc2ccc(C#N)cc2F)oc1C 32860330 CNKSJNAFTGHPDO-UHFFFAOYSA-N 329.327 3.477 30 40 EGEB CC(=O)N(c1nnc(SCc2ccccc2C#N)s1)C1CC1 25049651 ZPHYOVZYOYZIQY-UHFFFAOYSA-N 330.438 3.217 30 40 EGEB Cc1nc(NC(=O)[C@@H](C)N(C)Cc2cccc(C#N)c2)sc1C 26329201 BMTFTHSBMVTHSY-GFCCVEGCSA-N 328.441 3.091 30 40 EGEB CCOCCC/N=C1/SC[C@H](CC)N1C(=O)c1ccc(C#N)cc1 15913222 WODDQFAJINQIJI-RJCBAWPRSA-N 345.468 3.308 30 40 EGEB N#CCOc1ccc(NC(=O)CC2(C(=O)O)CCCCCC2)cc1 16481118 NGNPBTHYZQPNQR-UHFFFAOYSA-N 330.384 3.343 30 40 EGEB C[C@@H](c1ccccc1)N1C[C@H](C(=O)Nc2sccc2C#N)CC1=O 9253304 YUPWMKYHAQJOTQ-SWLSCSKDSA-N 339.420 3.168 30 40 EGEB N#Cc1csc(CNCCNc2ncccc2C(F)(F)F)c1 95415546 PPRIMHJEBGXDRM-UHFFFAOYSA-N 326.347 3.235 30 40 EGEB C[C@@H](Oc1ccccc1Br)C(=O)[C@@H](C#N)c1ccccn1 79029122 OYAAOFWNPGIAHJ-NEPJUHHUSA-N 345.196 3.488 30 40 EGEB Cc1cc(S(=O)(=O)/N=C(\O)[C@@H]2C[C@H]2C)sc1Br 84852184 NNZGEAXYJAQPCL-IYSWYEEDSA-N 338.248 3.120 30 40 EGEB CC(C)(C)n1cc(/C(O)=N/[C@H](c2ccccc2)[C@H]2CCOC2)nn1 330159585 QQDVULCUNIMCPO-GOEBONIOSA-N 328.416 3.116 30 40 EGEB COCc1cc(C)nc(N/N=C\c2cc(Cl)ccc2O)c1C#N 97405765 XOGGWHSVLZXNRF-UWVJOHFNSA-N 330.775 3.213 30 40 EGEB CCCCCCCCc1ccc(CCC(CO)(CO)NC(C)=O)cc1 100046743 XDKYDMHKJNIXAT-UHFFFAOYSA-N 349.515 3.382 30 40 EGEB in-vitro CCOc1ccc([C@@H]2C3=C(C[C@H](C)CC3=O)Nc3nc(C)nn32)cc1 14607485 XUEXNWVQZVZXDY-BBATYDOGSA-N 338.411 3.253 30 40 EGEB CN(C)N1C(=O)C[C@H](c2cccc(F)c2)C2=C1CC(C)(C)CC2=O 1429510 PIAJHIYCWGIRCX-CQSZACIVSA-N 330.403 3.261 30 40 EGEB COc1ccc(-c2noc(CNc3cccc(C#N)c3)n2)cc1OC 40466106 OJVFFKFKLORARS-UHFFFAOYSA-N 336.351 3.238 30 40 EGEB COc1ccccc1[C@H]1CC(=O)OC2=C1C(=O)c1ccccc1C2=O 20760691 RCFWLGVUHKTXJB-CQSZACIVSA-N 334.327 3.059 30 40 EGEB biogenic C[C@@H](Oc1cccc(C#N)c1)C(=O)N(CC(F)(F)F)c1ccccn1 60350789 VFZIKDWWMHJDIF-GFCCVEGCSA-N 349.312 3.316 30 40 EGEB C=C(C)CNC(=S)N1CCN(c2cccc(C(F)(F)F)c2)CC1 6238154 SXJZQIRQXWCKAZ-UHFFFAOYSA-N 343.418 3.278 30 40 EGEB N#Cc1nc(COc2cccc(Cl)c2)oc1NC[C@H]1CCCO1 539561 GRBJORXBTVSGTL-CYBMUJFWSA-N 333.775 3.370 30 40 EGEB N#Cc1cnc(SCc2csc(-c3ccc(F)cc3)n2)nc1N 24726307 WMTLCRLOEHEORT-UHFFFAOYSA-N 343.412 3.485 30 40 EGEB Cc1nnc(S[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)s1 97047669 ILKRAPFHJYGGIO-CYBMUJFWSA-N 330.438 3.006 30 40 EGEB C#CCN(Cc1ccco1)C(=O)N[C@@H]1CCCOc2ccc(F)cc21 63403344 GQJXJXRVGWMVNE-QGZVFWFLSA-N 342.370 3.477 30 40 EGEB CC[C@@H](C)Oc1cccc(C=Nn2c(O)nc3ccccc3c2=O)c1 409355629 DGHJLEWZUZMRLC-CYBMUJFWSA-N 337.379 3.162 30 40 EGEB N#CCSc1ccccc1NC(=O)CN1C[C@H]2CC=CC[C@@H]2C1 76040428 AQIVBTWUEHTBJH-HUUCEWRRSA-N 327.453 3.139 30 40 EGEB Cc1sc(=O)n(CC(=O)Nc2cc(C(C)(C)C)sc2C#N)c1C 91207913 QNHOOBWFAMGZCX-UHFFFAOYSA-N 349.481 3.396 30 40 EGEB CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1cc2ccccc2o1 9534977 YESLDYJUECJRDW-XIKOKIGWSA-N 328.368 3.033 30 40 EGEB N#Cc1ccc(C(=O)Nc2ccc(-c3ncc4n3CCCC4)cc2)nc1 95393178 ARCOTAKEQGZIQC-UHFFFAOYSA-N 343.390 3.405 30 40 EGEB CC1=C2C(=NC(=O)[C@H](C#N)[C@@H]2c2cccc(Oc3ccccc3)c2)NN1 585145672 WSSMPNRMSPVDCQ-AEFFLSMTSA-N 344.374 3.023 30 40 EGEB N#Cc1ccc(S(=O)(=O)N[C@@H]2CCc3cc(Cl)ccc32)cc1 57021772 JMPRJJBPZQNHKD-MRXNPFEDSA-N 332.812 3.177 30 40 EGEB N#Cc1ccc(N2CC[C@@H](OC(=O)c3cc4ccccc4[nH]3)C2=O)cc1 84594627 ZSACPDQZHPTRGT-GOSISDBHSA-N 345.358 3.002 30 40 EGEB N#CC1(C#N)[C@@H](c2cccs2)O[C@]23CCCC[C@@H]2[C@@]1(C#N)C(=N)O3 5997618 PADCIVFBXXREEE-OMNBBPDLSA-N 338.392 3.257 30 40 EGEB C[C@H](Sc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(C#N)cc1 5018870 UHQPEMZGICBZHO-LBPRGKRZSA-N 340.404 3.449 30 40 EGEB N#CCC[C@@H](C#N)Cn1nc(-c2ccccc2)cc(C(F)(F)F)c1=O 25239921 JMYOVTQPVUWPTM-LBPRGKRZSA-N 346.312 3.373 30 40 EGEB COc1ccc(-c2nc(NCc3ccccc3C)[nH]c(=O)c2C#N)cc1 40544164 UQWOHBJNYLHAGP-UHFFFAOYSA-N 346.390 3.238 30 40 EGEB CN1C(=O)N[C@H](c2cccc(Br)c2)C2=C1CCCC2=O 67223 AQYKSGSBEYJGCV-CQSZACIVSA-N 335.201 3.152 30 40 EGEB CC[C@@H](Sc1nc(C)cc(C)n1)C(=O)Nc1ccccc1C#N 74629 BAJJJVAMGZBOAB-OAHLLOKOSA-N 326.425 3.475 30 40 EGEB Cc1ccc2cc(C(=O)[C@@H](C#N)C(=O)NC3CCCC3)c(C)nc2c1 102017662 HQCVPEFBDOZEFQ-QGZVFWFLSA-N 335.407 3.233 30 40 EGEB NC(=S)N/N=C/c1ccc(Sc2cccc3cccnc23)o1 4851760 HYBMPBLDCBZMKL-GIJQJNRQSA-N 328.422 3.146 30 40 EGEB Cc1ccc(CSc2sc3c(O)[nH]c(=O)nc3c2C#N)cc1 4987656 MZAFYYHXRKBNAR-UHFFFAOYSA-N 329.406 3.163 30 40 EGEB C=CCSc1nnc(NC(=O)c2ccc(OC)c(OC)c2)s1 7594454 AVUXLLMBWZEBCK-UHFFFAOYSA-N 337.426 3.086 30 40 EGEB CCC[C@]12C=C(OC)C(=O)[C@H](C1=O)[C@H](c1ccc3c(c1)OCO3)[C@@H]2C 104247639 VZKISWAFIMEKDK-LKASSIKMSA-N 342.391 3.233 30 40 EGEB N#Cc1ccc(OCCOC(=O)c2cc(-c3ccccc3)[nH]n2)cc1 12628553 ZXQFMLSAJFILLW-UHFFFAOYSA-N 333.347 3.184 30 40 EGEB N#Cc1cccc(C(=O)NCc2ccc(CN3CCCCC3)cc2)c1 7448126 ZFUMULROLZZCPI-UHFFFAOYSA-N 333.435 3.474 30 40 EGEB O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 75092476 AMUYZDLXUSZOGL-UHFFFAOYSA-N 348.280 3.395 30 40 EGEB C[C@@H](c1cccc(C#N)c1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 187697530 JYKGSHPXKRJRNN-BBRMVZONSA-N 337.383 3.109 30 40 EGEB COC[C@]1(C#N)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218360687 FKTFUAWAFDBREG-CEXWTWQISA-N 341.432 3.091 30 40 EGEB CC(C)C[C@@H](C)S(=O)(=O)/N=C(\O)c1occc1Br 83769355 MSBSUCMWZYFGFC-MRVPVSSYSA-N 338.223 3.111 30 40 EGEB O/C(=N/Cc1noc2c1CCCC2)N1CCC(c2nccs2)CC1 329704419 JMVOUCMOXFKYGO-UHFFFAOYSA-N 346.456 3.304 30 40 EGEB C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H](C(N)=O)C1 252483995 FLSSRYUYARXJNZ-HNNXBMFYSA-N 329.444 3.268 30 40 EGEB C=CC[C@@H](CC)NC(=O)c1ccc([N+](=O)[O-])cc1Br 281452236 SCIZNLXXQSBROG-SECBINFHSA-N 327.178 3.442 30 40 EGEB N#Cc1nc(-c2cccc(Cl)c2)oc1NCCCN1CCOCC1 20394305 FDIWUBOJZGLQMH-UHFFFAOYSA-N 346.818 3.001 30 40 EGEB CCN([C@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1cccc(F)c1 32932916 ZLWMWJHUGLNJAV-CYBMUJFWSA-N 332.400 3.469 30 40 EGEB CCc1ccc(NC(=O)COC(=O)c2ccc(C#N)cc2F)cc1 8086026 PXUIIVNPIWLAIB-UHFFFAOYSA-N 326.327 3.055 30 40 EGEB C=CCn1c(C)cc(C(=O)CN2CCC[C@@H](c3nc(C)no3)C2)c1C 69388480 SBGURTWUYTUSPV-MRXNPFEDSA-N 342.443 3.045 30 40 EGEB N#Cc1cccc(NC(=O)COc2ccc(F)cc2Br)c1 3510476 RLJFRGHDJFMDJR-UHFFFAOYSA-N 349.159 3.477 30 40 EGEB C[C@@H]1CCCC[C@H]1NC(=O)CO/N=C/c1ccc(OC(F)F)cc1 6048996 KFKWDBQLYKECIZ-DCQPZSJNSA-N 340.370 3.333 30 40 EGEB COc1ccc(C)cc1[C@@H](C)Nc1ncnc2c1cnn2CCC#N 97199724 IUEYSXIHMFHWRD-CYBMUJFWSA-N 336.399 3.230 30 40 EGEB N#Cc1cc(F)ccc1N1CCC(NC(=O)CC2CCCC2)CC1 302800176 BWNXEUISVMNUOT-UHFFFAOYSA-N 329.419 3.363 30 40 EGEB C[C@H](c1ccccc1)N(C)CC(=O)N(CCC#N)Cc1ccco1 49581338 IEZQKCRGZXVORB-MRXNPFEDSA-N 325.412 3.215 30 40 EGEB C=CCOC[C@H]1c2nnn(CC3CC3)c2CCN1Cc1cccs1 96060585 DLPBUZLCJYXLGC-KRWDZBQOSA-N 344.484 3.052 30 40 EGEB N#CC1(C(=O)N[C@H]2CCN(c3ccccc3OC(F)F)C2)CCCC1 96408169 KGSRKQZTCZEGMF-ZDUSSCGKSA-N 349.381 3.067 30 40 EGEB Cc1noc([C@H]2CCN(c3cccc(Br)c3C#N)C2)n1 583734209 PMFZPEUCCUIGAT-JTQLQIEISA-N 333.189 3.006 30 40 EGEB C=C(C)CN1C(=O)[C@](O)(CC(=O)c2ccc(C)cc2)c2ccccc21 1320636 XFHPGHQCPRSYQC-NRFANRHFSA-N 335.403 3.378 30 40 EGEB N#CCc1ccc(OCc2nc(COc3ccc(F)cc3)no2)cc1 58392451 KLCUFECYCDMJEB-UHFFFAOYSA-N 339.326 3.433 30 40 EGEB CC[C@]1(c2ccc(F)cc2)NC(=O)N(Cc2ccccc2C#N)C1=O 3379208 GKJCDUCENOUFHN-LJQANCHMSA-N 337.354 3.055 30 40 EGEB C[C@@H]1CCCN(C(=O)C2CCN(Cc3ccc(C#N)cc3F)CC2)C1 45804755 VARUMRJABSZRKY-OAHLLOKOSA-N 343.446 3.168 30 40 EGEB C=CCn1c(SCC2(O)CCCCC2)nc2sccc2c1=O 65169544 ACXVNPSTGYMBDL-UHFFFAOYSA-N 336.482 3.431 30 40 EGEB N#Cc1ccccc1COc1ccc(C(=S)N2CCOCC2)cc1 4705239 IFVRQMHFVNSORI-UHFFFAOYSA-N 338.432 3.145 30 40 EGEB COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(C)Nc3ncnn32)cc1 9306636 ULYANBKRBSOBIU-SFHVURJKSA-N 346.390 3.459 30 40 EGEB C=C(C)CN1CCC(NC(=O)N(C)[C@H]2CC[C@H](SCC)C2)CC1 96462919 QISPKAQQRGWRDI-IRXDYDNUSA-N 339.549 3.343 30 40 EGEB C#CCN1CCC(C(=O)N(C)[C@H](C)Cc2ccc(Cl)cc2)CC1 71914783 FAOATVIUIDBOGE-OAHLLOKOSA-N 332.875 3.075 30 40 EGEB C[C@H](NC(=O)N[C@@H](C)[C@@H]1COc2ccccc21)c1ccc(C#N)cc1 95437521 JYGSKFAFUWYYME-DEYYWGMASA-N 335.407 3.483 30 40 EGEB C[C@H](C/C(O)=N/S(=O)(=O)CCc1ccccc1)c1ccncc1 95443257 JBLRBXCGTPEDKP-CQSZACIVSA-N 332.425 3.104 30 40 EGEB COc1ccc([N+](=O)[O-])cc1/C=N/OCc1cccc([N+](=O)[O-])c1 408589753 FXMIBEIMYWXHQD-CXUHLZMHSA-N 331.284 3.062 30 40 EGEB N#Cc1cc(NC(=O)[C@H]2CCCCN2Cc2cccnc2)ccc1F 79355201 JFXDWKLEULDWEJ-GOSISDBHSA-N 338.386 3.086 30 40 EGEB Cc1cc(Cl)c2ncc(C#N)c(N3CC[S@](=O)C[C@H](C)C3)c2c1 225778477 UXTBSJQBBVKRFQ-SPSFWMDKSA-N 347.871 3.273 30 40 EGEB O/C(=N/CCc1ccc(O)cc1)Nc1cc2c(cc1Cl)OCO2 330032684 QUWHHAUOWGRLFG-UHFFFAOYSA-N 334.759 3.343 30 40 EGEB C=CCN(Cc1ccon1)S(=O)(=O)c1cccc(C(F)(F)F)c1 96419517 RSVBOKQFXAZMIU-UHFFFAOYSA-N 346.330 3.070 30 40 EGEB C=C1[C@H](O)[C@]23CC[C@H]1[C@H](O)[C@H]2[C@@]12CCC[C@@](C)(CN(CC)C1)[C@H]2CC3 253596089 MZIQVPAVAJXVOK-VSEBHHSRSA-N 345.527 3.213 30 40 EGEB biogenic CC(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccccc1Cl 34824 LLWWBZYVOKZLTM-OAHLLOKOSA-N 331.755 3.418 30 40 EGEB N#Cc1cc2c(nc1SCC(=O)Nc1ccccc1F)CCC2 366730 UCRGUURBEJFARP-UHFFFAOYSA-N 327.384 3.312 30 40 EGEB N#Cc1ccccc1S(=O)(=O)N[C@@H]1CCSc2ccccc21 22276563 VJBKMPCQZVELIR-CQSZACIVSA-N 330.434 3.074 30 40 EGEB C#CCN(Cc1cc(=O)n2c(C)csc2n1)[C@@H]1CCc2ccccc21 47405902 CWMQAYXTXKCYKO-GOSISDBHSA-N 349.459 3.187 30 40 EGEB COc1ccc(C(=O)/C=C/c2cc3c(c(OC)c2OC)OCO3)cc1 35324867 QCXZLGNGYHBCCT-RMKNXTFCSA-N 342.347 3.337 30 40 EGEB Cc1csc([C@H](C#N)C(=O)CSc2ncc3ccccn23)n1 23327910 ANQKZBVMAATJML-GFCCVEGCSA-N 328.422 3.068 30 40 EGEB N#Cc1ccc(C(=O)N[C@H](CC(=O)O)c2ccccc2Cl)cc1 13172642 SUYMRKMHFYQMDH-OAHLLOKOSA-N 328.755 3.157 30 40 EGEB Cc1cc(C)nc(N/N=C/c2ccc(OC(=O)c3ccncc3)cc2)n1 4183125 BVOWDPOEMRUCLH-CIAFOILYSA-N 347.378 3.154 30 40 EGEB C#CCNC(=O)c1cn(-c2ccc(C)cc2)nc1-c1cccc(OC)c1 17797471 NGWNEQRLXYJREL-UHFFFAOYSA-N 345.402 3.219 30 40 EGEB C[C@H](NC(=O)N[C@H](C)[C@@H]1COc2ccccc21)c1ccc(C#N)cc1 95437523 JYGSKFAFUWYYME-IYOUNJFTSA-N 335.407 3.483 30 40 EGEB Cc1cc([C@H](C#N)C(=O)c2cc(C)n(-c3ccccn3)c2C)nc(C)n1 89599355 KETHMSVBMDAMBA-KRWDZBQOSA-N 345.406 3.386 30 40 EGEB Cc1cn2c(CN(C)C(=O)c3sccc3C#N)c(C)nc2s1 89739437 FFNNVXTWNQURKW-UHFFFAOYSA-N 330.438 3.218 30 40 EGEB N#Cc1cccc(CNc2cccc(C(=O)NCc3ccccn3)c2)c1 89883742 JIGDMUKBNOAQAD-UHFFFAOYSA-N 342.402 3.495 30 40 EGEB C=CCCO[C@H](C)C(=O)O[C@H](CSc1ncn[nH]1)c1ccccc1 89914143 BGUSDHHVSIFMGK-UKRRQHHQSA-N 347.440 3.163 30 40 EGEB N#Cc1ccc(OCc2ccccn2)c(I)c1 225572901 VAPFEWGWGPGIDI-UHFFFAOYSA-N 336.132 3.137 30 40 EGEB Cc1cccc(/N=C2/NC(=O)[C@@H](Cc3cccc([N+](=O)[O-])c3)S2)c1 5784583 JQEYDMDMXFJSMF-OAHLLOKOSA-N 341.392 3.365 30 40 EGEB Cc1nc(N/N=C/c2ccccc2[N+](=O)[O-])cc(N2CCCCC2)n1 4595622 VSDWXHAAMXNXBK-LDADJPATSA-N 340.387 3.130 30 40 EGEB CC(C)c1ccc(C(=O)N2CCN(C[C@@H](C#N)CCC#N)CC2)cc1 40497400 CLGOMIQTPUGTFY-QGZVFWFLSA-N 338.455 3.011 30 40 EGEB CCC[C@@H](C)NC(=O)[C@H]1CCCN(Cc2cc(C#N)ccc2F)C1 51052921 RMMLDTAWKSEUCN-ZBFHGGJFSA-N 331.435 3.214 30 40 EGEB N#CCc1ccc(NC(=O)[C@@H]2CCCCN2C(=O)C2CCCC2)cc1 69918646 VEZPBCWFAPJBCX-SFHVURJKSA-N 339.439 3.262 30 40 EGEB CC(=O)n1nc(C(F)(F)C(F)(F)C(F)(F)F)c([N+](=O)[O-])c1C 2526338 CAOXNZNEAYAANN-UHFFFAOYSA-N 337.151 3.049 30 40 EGEB CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCc1ccsc1 47011068 FJXFFPVRYAXEKS-UHFFFAOYSA-N 341.480 3.143 30 40 EGEB Cc1cc(N(CCC#N)C(=O)Cn2c(C)csc2=O)ccc1Cl 103915940 FVEBYYXJUBTMRP-UHFFFAOYSA-N 349.843 3.127 30 40 EGEB N#C[C@H](C(=O)/C=C/c1ccc(Cl)cc1)C(=O)Nc1ccccn1 104055971 AXRVNIRPJJZWDQ-VIIAAUOXSA-N 325.755 3.096 30 40 EGEB Cc1ccc(C(=O)/C=C/c2cnc(N3CCCC3)nc2)cc1[N+](=O)[O-] 47880668 IKJQVMRALKEKSB-FNORWQNLSA-N 338.367 3.190 30 40 EGEB O=C(/C=C\Nc1cc(Cl)ccc1Cl)C1C(=O)CCCC1=O 100395058 QMGKACLJJAUGMY-SREVYHEPSA-N 326.179 3.426 30 40 EGEB C=CCc1ccccc1OCc1cc(=O)n2nc(CCC)sc2n1 20859072 HCAYOSQTSPYWTN-UHFFFAOYSA-N 341.436 3.411 30 40 EGEB C=CCN(CC(F)(F)F)C(=O)Cc1csc(-c2cccnc2)n1 58330936 LUYHFOWEMSHVMY-UHFFFAOYSA-N 341.358 3.325 30 40 EGEB N#Cc1cccnc1N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 12980039 WYYAQRHWTLFZRW-UHFFFAOYSA-N 347.344 3.084 30 40 EGEB O=C(/C=C/c1ccc(O)cc1)c1ccc(N2CCOCC2)c(F)c1 9322518 GIDDUKRKJSCPDJ-FPYGCLRLSA-N 327.355 3.264 30 40 EGEB Cc1cc(C)cc(OCCC(=O)N(CCC#N)Cc2cccnc2)c1 69514337 LCQUHDFRILBNJQ-UHFFFAOYSA-N 337.423 3.410 30 40 EGEB Cc1ccc(C#N)cc1NC(=O)CN1C(=O)CCCc2ccccc21 69582237 MZPAOHDKOPELOL-UHFFFAOYSA-N 333.391 3.175 30 40 EGEB CN/C(=N/Cc1cccs1)NC1CCN(Cc2ccccc2)CC1 75583394 SFVSDZIIJJWSLX-UHFFFAOYSA-N 342.512 3.078 30 40 EGEB Cc1c(Oc2ccc(C#N)cc2)nn2c(C(F)(F)F)nnc2c1C 92581466 HDSKVTLLJJMFPK-UHFFFAOYSA-N 333.273 3.424 30 40 EGEB C=C(C)CN(CC)C(=O)C(=O)Nc1ccc(-c2nccs2)cc1 154598164 SLBBFRJLLJCKKB-UHFFFAOYSA-N 329.425 3.173 30 40 EGEB Cc1nc(S(=O)(=O)N(C)Cc2ccccc2)c(C#N)c(C)c1Cl 139658 FDFSZJFAAPCOTA-UHFFFAOYSA-N 349.843 3.044 30 40 EGEB Cc1ccc(CNC(=O)[C@H](C#N)C(=O)CCCc2cccs2)cc1 102752361 NEMYYLQNAJITSZ-QGZVFWFLSA-N 340.448 3.405 30 40 EGEB COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/n2cnnc2)cc1 3255200 ZBACGZCTHIWTHM-SSDVNMTOSA-N 344.378 3.022 30 40 EGEB CCn1c2ccccc2c2cc(CN(C)CC(=O)NCCC#N)ccc21 58157336 OYUFIQLRMKJZJA-UHFFFAOYSA-N 348.450 3.276 30 40 EGEB C=CCN1c2ccccc2NC(=O)[C@@H]1CC(=O)Nc1ccccc1C 12608965 WKNUJMFTMRHQIR-SFHVURJKSA-N 335.407 3.337 30 40 EGEB C=CCN(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)C1CCCC1 58438240 WFSKZNYWAZPLFZ-UHFFFAOYSA-N 327.388 3.241 30 40 EGEB CSc1ccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)cc1 6249228 FLOLOFTUQRXOLX-MHWRWJLKSA-N 340.857 3.374 30 40 EGEB CC[C@H]1c2ccsc2CCN1S(=O)(=O)c1cccc(C#N)c1 14121109 HRGVBEFDZPFXEH-HNNXBMFYSA-N 332.450 3.318 30 40 EGEB CN(CC(F)(F)F)C(=O)CNc1ccc(C(F)(F)F)cc1C#N 97227732 HMEKRLJJVGGFNG-UHFFFAOYSA-N 339.239 3.010 30 40 EGEB COc1ccc([C@@H](C#N)NC(=O)c2coc3ccccc23)c(OC)c1 95396709 CVLUUZVYJVTOSN-MRXNPFEDSA-N 336.347 3.445 30 40 EGEB C[C@@H]1CN(Cc2cccc(CNCc3ccc(C#N)cc3)c2)CCO1 71828159 AYHMQROVLVLXLH-QGZVFWFLSA-N 335.451 3.069 30 40 EGEB N#Cc1cccnc1Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 79015461 FAGQFOQSPZPOIS-UHFFFAOYSA-N 341.374 3.295 30 40 EGEB COc1ccc(CN(CC2CC2)c2nc(C)cc(C#N)n2)c(OC)c1 553251352 OVUZFMSMBQDSNB-UHFFFAOYSA-N 338.411 3.091 30 40 EGEB N#Cc1ccc(S(=O)(=O)/N=C(\O)CCc2ccccc2)cc1Cl 78612386 FYSSNVCEGKWAJU-UHFFFAOYSA-N 348.811 3.490 30 40 EGEB N#Cc1c[nH]c(C(=O)NC[C@H](O)c2ccc(-c3ccccc3)cc2)c1 185584752 PYUCTMPWIYMSDO-IBGZPJMESA-N 331.375 3.017 30 40 EGEB C#C[C@@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 40710633 QIRSNYJXWATYAI-HXUWFJFHSA-N 335.359 3.002 30 40 EGEB C=CCOC[C@@H]1CCC[C@@]12CN(Cc1ccc(OC)cc1)CCO2 96051889 LVAHDTMMQROILS-AZUAARDMSA-N 331.456 3.269 30 40 EGEB COc1ccc(-c2nnc(S)n2N=Cc2ccc(F)cc2)cc1 245241963 VBDMZGFVKLADQK-UHFFFAOYSA-N 328.372 3.264 30 40 EGEB CCOC(=O)c1cs/c(=N/N=C(\C)c2ccc(Cl)cc2)n1C 1415429 IXZULIBIAFGNBS-MBXAUKRDSA-N 337.832 3.242 30 40 EGEB CC(C)c1noc([C@H](C)N2CCCN(c3ccccc3C#N)CC2)n1 52801459 AIEBQVLOTSQQGN-HNNXBMFYSA-N 339.443 3.338 30 40 EGEB N#C/C(=N/Nc1ccc2c(c1)OCCO2)c1nc2ccccc2s1 33686056 LBKVCGXORWYEJZ-BKUYFWCQSA-N 336.376 3.407 30 40 EGEB Cc1nc(S[C@@H](C)C(=O)NCc2ccco2)c(C#N)c(C)c1C 7059417 FPJSNSGDDOEJFK-ZDUSSCGKSA-N 329.425 3.269 30 40 EGEB N#C[C@@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])c1ccc(F)cc1F 95982278 WDCBLVPAKWUQAI-CYBMUJFWSA-N 335.241 3.007 30 40 EGEB C[C@@H](NCc1cccc(OCCCC#N)c1)c1nnc2n1CCCC2 89913866 KORPASAVQMRJBN-OAHLLOKOSA-N 339.443 3.148 30 40 EGEB COc1ccc(/N=C\c2ccc(OCC(=O)OC(C)C)cc2)cn1 409187713 UDGPYOQOKKPCGN-GRSHGNNSSA-N 328.368 3.171 30 40 EGEB COc1cc([C@H]2CC(=O)OC3=C2C(=O)CC(C)(C)C3)cc(OC)c1O 524731412 WQSFHKYZXFETEH-LLVKDONJSA-N 346.379 3.083 30 40 EGEB biogenic N#Cc1ccc(S(=O)(=O)/N=C(\O)C2(c3ccccc3)CCC2)cc1 48503052 MGJCEOYXTJIRCI-UHFFFAOYSA-N 340.404 3.325 30 40 EGEB N#Cc1ccnc(O[C@@H]2CCCN(C(=O)Nc3cccs3)C2)c1 575613723 SMOJBPGOEINXBD-CYBMUJFWSA-N 328.397 3.090 30 40 EGEB Cc1c(C(=O)N2CCCCC2)sc(NC(=O)c2ccco2)c1C#N 350815 LRSNHEWPZIQUPD-UHFFFAOYSA-N 343.408 3.400 30 40 EGEB CCN1CCN(c2ccc(/N=C/c3cc(OC)ccc3O)cc2)CC1 345342 QHFKXWNKNDRGSC-RCCKNPSSSA-N 339.439 3.293 30 40 EGEB N#C[C@@H](C(=O)Cc1ccc2c(c1)OCO2)c1ccc2ccccc2n1 52741995 VYBCGIVIKCPLMU-OAHLLOKOSA-N 330.343 3.382 30 40 EGEB Cc1ccc(C)c(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c1 23437562 JTKZZRKYARSUFP-UHFFFAOYSA-N 333.435 3.133 30 40 EGEB O=C(NCC#Cc1ccccc1)c1cnn(Cc2ccccc2Cl)c1 25148875 AMNUHGDAYRVRFB-UHFFFAOYSA-N 349.821 3.366 30 40 EGEB C=CCOc1ccc(/C=N\OCC(=O)Nc2ccccc2)cc1OC 409378406 OVEMTAUFBNIVNB-MOSHPQCFSA-N 340.379 3.249 30 40 EGEB C=CCO[C@H](C)C(=O)N1CCC(c2c[nH]c3ccc(OC)cc23)CC1 65576083 YZIMETJXUIDYBJ-CQSZACIVSA-N 342.439 3.474 30 40 EGEB N#C[C@H](NC(=O)CCc1ccc(F)cc1)c1cnn(-c2ccccc2)c1 65620850 AUUCMAWDAMQQGT-IBGZPJMESA-N 348.381 3.325 30 40 EGEB CCCCCCCOc1ccc(/C=C2/C(=O)NC(=O)N(C)C2=O)cc1 96019804 FRQOZSAKKYCJRQ-SSZFMOIBSA-N 344.411 3.127 30 40 EGEB CN(C/C(O)=N/S(=O)(=O)c1ccccc1Cl)c1ccccc1 91437713 VDFYIGKECOBUPN-UHFFFAOYSA-N 338.816 3.122 30 40 EGEB Cc1ccc(C(=O)N2CCN(c3ccc(C#N)c(Cl)c3)CC2)o1 71894330 DUQDBDJJWLMALH-UHFFFAOYSA-N 329.787 3.076 30 40 EGEB Cc1ccc(N2CCO[C@H]2c2cn(Cc3ccccc3C#N)nn2)cc1 216761545 IOLXYDAAAPGWPA-FQEVSTJZSA-N 345.406 3.042 30 40 EGEB C=CCOc1cccc(NC(=S)NCCCN2CCCCC2)c1 225411100 FRBHDVJPOSJAMA-UHFFFAOYSA-N 333.501 3.414 30 40 EGEB CC(C)N(CC#CCNC(=O)CSCc1ccccc1)C(C)C 75164472 DOWLBXKIGOUVGV-UHFFFAOYSA-N 332.513 3.158 30 40 EGEB C[C@@H]1C[C@H](NC(=O)Nc2ccc(CC#N)cc2)C(=O)N1c1ccccc1 96433890 QULRGNGUSNQZEK-KDOFPFPSSA-N 348.406 3.068 30 40 EGEB C/C(=N\OCC(=O)N1CCCc2ccccc21)c1sc(C)nc1C 42115260 UMQNSCZUEXENTR-DEDYPNTBSA-N 343.452 3.480 30 40 EGEB N#CCc1ccc(NC(=O)CN2C(=O)CCCc3ccccc32)cc1 69370276 MZIRAGRMPXZNMF-UHFFFAOYSA-N 333.391 3.061 30 40 EGEB COc1ccccc1/C=C1\C(=O)ON=C1c1ccc(OC)c(OC)c1 12371702 AGKGAXGWNUPWKP-UVTDQMKNSA-N 339.347 3.057 30 40 EGEB CC(C)(C)C(=O)NCC(=O)Nc1cccc(C#Cc2cccs2)c1 37163062 OQMDFVWJPRZSPP-UHFFFAOYSA-N 340.448 3.249 30 40 EGEB CO[C@@H]1CCN(c2ccc(NC(=O)CCc3ccc(C#N)cc3)cc2)C1 96122261 NSUKDVBKKGBJHY-HXUWFJFHSA-N 349.434 3.355 30 40 EGEB N#Cc1ccccc1Nc1nnc(Cc2ccc(Cl)cc2)c(O)n1 4225142 PRQVJNSXSUAHER-UHFFFAOYSA-N 337.770 3.437 30 40 EGEB O=P(O)(O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103624341 FGHHNAZKTIELTK-UHFFFAOYSA-N 328.067 3.022 30 40 EGEB N#Cc1ccccc1NC(=O)CCSc1nnc(NC2CC2)s1 24899768 GGBXDGSLICOHIF-UHFFFAOYSA-N 345.453 3.105 30 40 EGEB CCOc1ccc(/C=N/NC2=NC(=O)[C@H](c3ccccc3)S2)cc1 1415586 VKMMORJHOTWKBY-QUYZQLMHSA-N 339.420 3.380 30 40 EGEB N#C[C@H](C(=O)NCc1ccccc1)c1nc2ccccc2nc1Cl 3313511 OHZQIBAYTUQUKS-ZDUSSCGKSA-N 336.782 3.207 30 40 EGEB CCCCCCC[C@]1(C)NC(=O)N(CC(=O)Nc2ccccc2)C1=O 3341098 MFRPQNUUZJTPQE-IBGZPJMESA-N 345.443 3.296 30 40 EGEB C=CCCO[C@H](C)C(=O)N(C)[C@@H](c1cccc(F)c1)c1cnn(C)c1 72291352 LILVWBLMKDMAHY-KDOFPFPSSA-N 345.418 3.088 30 40 EGEB C=CCCO[C@@H](C)C(=O)OC1CCN(c2ccc(Cl)cn2)CC1 69982884 CAGPPJMIPQVEBO-ZDUSSCGKSA-N 338.835 3.228 30 40 EGEB C=CCOc1ccc(C(=O)NCCCCc2nccs2)cc1OC 65562846 FUBHTVBSJAIINK-UHFFFAOYSA-N 346.452 3.469 30 40 EGEB C=CCOc1ccccc1/C=C1\NC(=O)N(Cc2ccccc2)C1=O 408535707 WAYPUWYCCFFART-LGMDPLHJSA-N 334.375 3.344 30 40 EGEB C=CCOC(=O)COc1cc2oc(=O)c3c(c2cc1CC)CCCC3 5546636 QVRQJJDQOAWMKB-UHFFFAOYSA-N 342.391 3.342 30 40 EGEB Cc1c(/C(O)=N/S(=O)(=O)c2ccc(Cl)s2)cnn1C(C)C 92692988 MHBDXNBOMNCNRG-UHFFFAOYSA-N 347.849 3.181 30 40 EGEB COc1ccc([C@@H](C#N)NC(=O)c2cccc(F)c2Cl)c(OC)c1 80046163 NSWIISVXZRUZOR-CQSZACIVSA-N 348.761 3.491 30 40 EGEB CSc1ncccc1C(=O)NCCSCc1ccccc1C#N 15826918 FHYJXLFZOAWWQI-UHFFFAOYSA-N 343.477 3.338 30 40 EGEB O=C(O)COc1ccc(/C=C/C(=O)c2ccsc2)cc1[N+](=O)[O-] 68042276 RRMMMKSKECXZFK-HNQUOIGGSA-N 333.321 3.016 30 40 EGEB CC(C)[C@@](C)(C#N)NC(=O)CSc1nccn1Cc1ccccc1 9367271 CRNRXMMSXJTWFS-GOSISDBHSA-N 342.468 3.078 30 40 EGEB Cc1ccc(C(C)(C)CNC(=O)C(=O)Nc2ccc(CC#N)cc2)cc1 78410883 XGNFMPITSBUHKY-UHFFFAOYSA-N 349.434 3.094 30 40 EGEB O=[N+]([O-])c1cccc(C=Nn2c(S)nnc2C2CCCCC2)c1 253616999 RGIJSJMHKOHSMH-UHFFFAOYSA-N 331.401 3.405 30 40 EGEB N#Cc1ccc(NC(=O)CN2CCC(C(=O)c3ccccc3)CC2)cc1 14110425 YWRPAITYAXHNSZ-UHFFFAOYSA-N 347.418 3.092 30 40 EGEB O=C1Nc2cc([N+](=O)[O-])ccc2N/C1=C/C(=O)c1ccc(Cl)cc1 17783612 GDHOWAFRTVZYJV-RIYZIHGNSA-N 343.726 3.379 30 40 EGEB C=CCN1CCCC12CCN(C(=O)Cc1ccc(OC)c(F)c1)CC2 2055819392 BXOYONOMVPKNPX-UHFFFAOYSA-N 346.446 3.020 30 40 EGEB CCCCCCCCCC(=O)N[C@@H](C(=O)O)[C@H](O)c1ccccc1 100922137 HKUCLNWSOJJBSV-QZTJIDSGSA-N 335.444 3.430 30 40 EGEB C[C@@H](Nc1ncccc1C#N)[C@@H](O)c1ccc(Br)cc1 58217687 NFGCPJSEPVYXRL-QMTHXVAHSA-N 332.201 3.250 30 40 EGEB C=CCn1c(N)c(C(=O)NCCCCC)c2nc3ccccc3nc21 2245797 MTXQNTCXQSVDTQ-UHFFFAOYSA-N 337.427 3.273 30 40 EGEB N#Cc1cc(Cl)ccc1N1CCC(CC(=O)N2CCCC2)CC1 69703478 NWNUSVCZDWCBJI-UHFFFAOYSA-N 331.847 3.441 30 40 EGEB COc1ccc([C@@H](O)[C@H](C)Nc2ccc([N+](=O)[O-])c(C#N)c2)cc1 97102096 WGJWHOFHRISVDV-GTNSWQLSSA-N 327.340 3.009 30 40 EGEB C[C@H]1CCN(C)c2ccccc2N1C(=O)Cc1ccc(OCC#N)cc1 96425362 LJWRWNNTGRSEGQ-INIZCTEOSA-N 349.434 3.393 30 40 EGEB N#Cc1ccnc(NC2(Cc3ccccc3Br)CC2)n1 584570978 PMXMKGLDJLZSKO-UHFFFAOYSA-N 329.201 3.298 30 40 EGEB COc1cc(OC)c2ncc(C#N)c(S[C@H]3CCO[C@H]3C)c2c1 252483322 DZABMKMVMVAUQE-BONVTDFDSA-N 330.409 3.393 30 40 EGEB C[C@@H](NC[C@@H]1CCCO[C@H]1c1cc[nH]n1)c1ccc(C#N)c(F)c1 591660928 ARSAPEZCLRTGOE-HNJNHCNJSA-N 328.391 3.239 30 40 EGEB CC(C)(C)OC(=O)c1cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2[nH]1 1535541745 VRBYNWYEUQVZNO-UHFFFAOYSA-N 343.232 3.422 30 40 EGEB N#CCCN(c1ccccc1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 69896514 SAKBJBCDHCIXKF-UHFFFAOYSA-N 345.811 3.321 30 40 EGEB CC1(C)[C@H]2C[C@@H]1[C@]1(C)OB([C@@H](N)Cc3ccc(Cl)cc3)O[C@@H]1C2 627280122 ZRGMNWRSOYHRLA-IJCAJFLPSA-N 333.668 3.477 30 40 EGEB COc1cc(/C=C2/Oc3cc(O)ccc3C2=O)cc(OC)c1OC 489801 BJFMTVYSEMXVAK-MKMNVTDBSA-N 328.320 3.034 30 40 EGEB C[C@H]1CCc2c(sc(NC(=O)COC(=O)c3ccco3)c2C#N)C1 3244040 HMQSSTFPDGHXFZ-JTQLQIEISA-N 344.392 3.133 30 40 EGEB Cc1ccc(C#N)c(N2CCN(c3nsc4ccccc34)CC2)n1 1889179249 XEDZEOYUPDXYLC-UHFFFAOYSA-N 335.436 3.198 30 40 EGEB N#Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)c1 32755115 CGQUXAROZWCGFK-CQSZACIVSA-N 339.420 3.111 30 40 EGEB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1ccc(C#N)cc1 24060876 QYMDIFHQTYTRQT-AZUAARDMSA-N 331.419 3.315 30 40 EGEB C#Cc1cccc(NC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)c1 12787296 NJJZZXMJHHOPMF-UHFFFAOYSA-N 345.402 3.023 30 40 EGEB C[C@@H](c1cccc(O)c1)N(C)CC(=O)NC1(C#N)CCCCCC1 69590591 ZEYSQGQHXYFWJL-HNNXBMFYSA-N 329.444 3.118 30 40 EGEB CN(C)/C=N/c1nc2nccc(/C=C\c3ccc(Cl)cc3)n2n1 5197828 CPPQUEYLHSJSAD-UTZWAQRMSA-N 326.791 3.170 30 40 EGEB Cc1cc(C)c(S(=O)(=O)NCC/N=C/c2ccccc2)c(C)c1 4700750 KUHGODKVCBLJHO-CPNJWEJPSA-N 330.453 3.009 30 40 EGEB CCOc1cc(/C=N/Nc2nnc3c(n2)[nH]c2ccccc23)ccc1O 18284378 BUMRRMVJWJKDCA-VXLYETTFSA-N 348.366 3.056 30 40 EGEB N#CC1CCN(C(=O)N[C@H](CC2CCOCC2)c2ccccc2)CC1 96004719 XEHUQFDIXUSRNO-LJQANCHMSA-N 341.455 3.490 30 40 EGEB Cc1csc(CN(C[C@H]2CCCO2)C(=O)C#Cc2ccccc2)n1 95406197 UISWKLFWVCSCGZ-QGZVFWFLSA-N 340.448 3.011 30 40 EGEB N#CC1(NC(=O)c2cnc(-c3ccccc3)s2)CCSCC1 95440085 OCGSSNZOMMZRPJ-UHFFFAOYSA-N 329.450 3.329 30 40 EGEB COC(=O)c1ccc(/N=C/c2ccc(N3CCOCC3)cc2C)cc1 409094666 FRVVMRAEMGCNIC-KGENOOAVSA-N 338.407 3.369 30 40 EGEB CCCCOc1ccc(C(=O)NCC#CCN2CCCCC2)cc1 75164749 BEDVGSUDNIBGLD-UHFFFAOYSA-N 328.456 3.085 30 40 EGEB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OC(C)=O)cc1C#N 225825823 QPIDXIBIPVIOCR-GOSISDBHSA-N 332.400 3.407 30 40 EGEB C=CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)CC 223337750 VCDPMKPXWVEYCT-HXUWFJFHSA-N 336.435 3.469 30 40 EGEB COc1cc(OC)cc([C@H]2CCN(C(=O)c3sccc3C#N)C2)c1 81641679 HAZOHZFKTCOWKG-ZDUSSCGKSA-N 342.420 3.267 30 40 EGEB N#Cc1ccc(F)cc1CN1CCOC[C@@H]1C[C@H](O)c1ccccc1 268635329 CLUDGUJCWOXVFA-PMACEKPBSA-N 340.398 3.022 30 40 EGEB C=CCn1c(C2CCCCC2)nn(CN2CCN(CC)CC2)c1=S 22037658 LBTGRGYNFPOYCW-UHFFFAOYSA-N 349.548 3.243 30 40 EGEB C#CCOc1ccc(N(C)C(=O)c2cncc(Br)c2)cc1 69817948 FUHDPERSMOWHOK-UHFFFAOYSA-N 345.196 3.133 30 40 EGEB Fc1cc(/C=N/NCc2ccc(Cl)cc2)ccc1N1CCOCC1 10119166 CDIFQNJJOCETBT-LPYMAVHISA-N 347.821 3.439 30 40 EGEB CCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCCCC1 3114385 FKSYERDFLNEXFX-AWEZNQCLSA-N 338.411 3.180 30 40 EGEB N#Cc1c(F)cccc1N1CCC(C(=O)NCc2ccccc2)CC1 24973940 ALKORQCNYHTUGL-UHFFFAOYSA-N 337.398 3.230 30 40 EGEB COc1cc(/C=N/N=c2/[nH]c(-c3ccccc3)cs2)ccc1O 23099153 XYARUUNLHITNOG-VCHYOVAHSA-N 325.393 3.392 30 40 EGEB C[C@]12CN(NC(=O)c3ccccc3Cl)[C@]3(C#N)C[C@@H]1CC[C@@]23C 100920466 XBCBLBTZXMRLHC-JUKXBJQTSA-N 329.831 3.389 30 40 EGEB CCCNC(=O)c1c(/N=C/c2ccc(C(F)(F)F)cc2)cnn1C 101603788 CXJRXHDBIZOCIG-ZVBGSRNCSA-N 338.333 3.329 30 40 EGEB C=CCN(CC(F)(F)F)C(=O)c1ccc(OC[C@H]2CCCO2)cc1 58393789 ZKZKHYVESLOWFY-OAHLLOKOSA-N 343.345 3.435 30 40 EGEB Cc1ccsc1C(=O)OCC(=O)Nc1cc(Cl)ccc1C#N 3384239 CTGXDAYMZVKBNJ-UHFFFAOYSA-N 334.784 3.377 30 40 EGEB C[C@@H]1CN(c2ccccc2NC(=O)N[C@@H]2CCC[C@@H]2C#N)C[C@@H](C)O1 96004113 POBOQUQRPIILEY-KLHDSHLOSA-N 342.443 3.114 30 40 EGEB CN1C(=O)C[C@H](C(=O)O)S/C1=N\c1cc(Cl)cc(Cl)c1 17920810 NMSFGLSIKFCNBA-MCQFYPOTSA-N 333.196 3.029 30 40 EGEB N#Cc1c(NC(=O)CCN2CCOC2=O)sc2c1CCCCCC2 71824305 GMDFCRCOEZOGHQ-UHFFFAOYSA-N 347.440 3.060 30 40 EGEB CN(c1nc(C(F)(F)F)ccc1C#N)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 71920859 ZZCNVBFMPJUGIU-UHTWSYAYSA-N 325.334 3.222 30 40 EGEB C=CCOc1c(Cl)cc(C=C(C(=O)OC)C(=O)OC)cc1Cl 409048146 QNPIZUDLFVTWKA-UHFFFAOYSA-N 345.178 3.288 30 40 EGEB C=CCN1CC[C@@H](Sc2nnc(CCC3CCCCC3)o2)C1=O 225571312 QBTRBDJOXADQRG-CQSZACIVSA-N 335.473 3.462 30 40 EGEB C#CCOc1c(I)cc(C(C)(C)C)cc1C#N 225293127 ALUINVYXSFBOKI-UHFFFAOYSA-N 339.176 3.472 30 40 EGEB C=CCN(c1ccccc1OCC)S(=O)(=O)c1ccc(OC)cc1 224851837 NIJPTGVZFXOPLX-UHFFFAOYSA-N 347.436 3.475 30 40 EGEB CC1=NN(Cc2ccccc2)C(=O)[C@H]1[C@@H](c1ccccc1)C(C#N)C#N 95351584 ZIGSJELRQGYINN-UXHICEINSA-N 342.402 3.468 30 40 EGEB CCN(Cc1ccccc1N/C(O)=N/CC(F)(F)C(F)F)C(C)=O 330032766 ROPAXFCNZTYROX-UHFFFAOYSA-N 349.328 3.281 30 40 EGEB CSCC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 55771731 PIIZURSWVQSUGD-UHFFFAOYSA-N 325.393 3.112 30 40 EGEB COc1ccc(/C=N\CCc2ccc(OC)c(OC)c2)cc1OC 18145611 OYKYCTMRLGPLFT-MOSHPQCFSA-N 329.396 3.383 30 40 EGEB N#Cc1nc(C2CC2)oc1N1CCN(Cc2ccc(Cl)s2)CC1 40087076 BHNSRBPDWCXTKG-UHFFFAOYSA-N 348.859 3.461 30 40 EGEB CCOC(=O)/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(C)=O 358575 OWKYPYCDUDGLHY-GXDHUFHOSA-N 329.308 3.390 30 40 EGEB N#Cc1ccccc1OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 3445561 VJZOKBZLXMQCOM-UHFFFAOYSA-N 331.715 3.137 30 40 EGEB Cc1noc(C)c1CC(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 41558342 BNBXYUVUQHKHRM-GFCCVEGCSA-N 344.321 3.455 30 40 EGEB Cc1nc(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cs1 24506286 AZSLCPGTZROIGD-UHFFFAOYSA-N 338.354 3.181 30 40 EGEB Cc1nc(NC(=O)CSCC#N)sc1Cc1ccccc1F 55580172 KPMZFIZTYBAQGC-UHFFFAOYSA-N 335.429 3.377 30 40 EGEB C[C@@H]1C[C@H]1c1ccc(CN(C)C[C@H](O)COc2ccc(C#N)cc2)o1 34872542 DBVMUYJRUCBCAP-SIXWZSSISA-N 340.423 3.146 30 40 EGEB N#Cc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2F)cc1 3239058 SBCGPAHBUWASFW-UHFFFAOYSA-N 332.718 3.146 30 40 EGEB O=C1C(Cl)=C(NCc2ccc3c(c2)OCO3)C(=O)c2ccccc21 100768981 XEEFISACIKFQMX-UHFFFAOYSA-N 341.750 3.035 30 40 EGEB CCC(C)(C)C1CCC2(CC1)NC(=O)N(C[C@H](C#N)CCC#N)C2=O 13000347 WEPKDPXCBWSBMZ-XVTSOASTSA-N 344.459 3.347 30 40 EGEB Cc1nc(S[C@H](C)C(=O)NCc2ccco2)c(C#N)c(C)c1C 7059430 FPJSNSGDDOEJFK-CYBMUJFWSA-N 329.425 3.269 30 40 EGEB CC[C@@H](NC[C@@H](O)c1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 95984563 LNMLDUQBCZYEMI-QZTJIDSGSA-N 338.407 3.104 30 40 EGEB O=C1C[C@H](c2ccccc2)N1/N=C/c1cc(Br)ccc1O 71281379 BEAQWFCNVPZFBD-YFEUJDIGSA-N 345.196 3.462 30 40 EGEB N#CCC[C@@H](C#N)CN1CCN(C(=O)c2cccc3ccccc23)CC1 40497403 LGIUPFUTQGWUCA-KRWDZBQOSA-N 346.434 3.041 30 40 EGEB C=CCc1cccc(Cl)c1OCCCN1C(=O)NC(C)(C)C1=O 8750407 NJTOZAFRFBVRPG-UHFFFAOYSA-N 336.819 3.168 30 40 EGEB O=C(O)ON1C(=O)C[C@H](CC2c3ccccc3-c3ccccc32)C1=O 100436665 XRKZNPPUHJQFFE-NSHDSACASA-N 337.331 3.174 30 40 EGEB CCN1C(=O)[C@H](CC(=O)O)S/C1=N/c1cccc2ccccc12 107037615 OEWFVFWQEQUALJ-YWMAMYRUSA-N 328.393 3.266 30 40 EGEB CCOC(=O)CSc1cc(C)c(C#N)c2nc3ccccc3n12 12523791 RKESGJBUEXEPCY-UHFFFAOYSA-N 325.393 3.323 30 40 EGEB Cc1sc2nc(COC(=O)C3(C#N)CCCC3)nc(N)c2c1C 12554070 OXGCQBNMPUECGZ-UHFFFAOYSA-N 330.413 3.018 30 40 EGEB Cc1cccc(OCCC(=O)Nc2ccn(CCCC#N)n2)c1C 72287832 XPCMGZREZRHSAY-UHFFFAOYSA-N 326.400 3.211 30 40 EGEB CCCc1cc(=O)[nH]c(N/N=C/c2c(Cl)cccc2Cl)n1 3946823 UJCZAJRZFOSIHF-CAOOACKPSA-N 325.199 3.475 30 40 EGEB N#Cc1ccc(Oc2ccc3nnc(C(F)(F)F)n3n2)c(Cl)c1 14270049 XYFCTOFFKZQQLI-UHFFFAOYSA-N 339.664 3.460 30 40 EGEB N#Cc1ccccc1CN1CCC(NC(=O)CC2CCCC2)CC1 66876427 WZWOFTMDFSJIQQ-UHFFFAOYSA-N 325.456 3.219 30 40 EGEB C=CCN(Cc1ccc(C#N)cc1)C(=O)c1nc(C)n2ccccc12 78106365 KIVXHRQFHRNUFB-UHFFFAOYSA-N 330.391 3.343 30 40 EGEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4C[C@@H](C)O[C@H](C)C4)[C@H]3C[C@@H]12 19703263 CNUKCRQWTYDAEH-KEUIEQCUSA-N 347.499 3.410 30 40 EGEB biogenic Cc1ccc(N(CCC#N)C(=O)c2ccc(-n3ccnn3)cc2)cc1 95445137 MRQBVXDANGMEFO-UHFFFAOYSA-N 331.379 3.136 30 40 EGEB CC(=O)/C(=C1\CCCCCN1)S(=O)(=O)c1ccccc1Cl 67340904 OJYDLLQFNDVMNH-SQFISAMPSA-N 327.833 3.078 30 40 EGEB Cc1noc2c1[C@H](c1ccc([N+](=O)[O-])cc1)C1=C(CCCC1=O)N2 72332312 SYHWNYHBUODQOM-HNNXBMFYSA-N 325.324 3.456 30 40 EGEB Cc1ccc2nc3n(c2c1)[C@@H](CNCc1ccc(C#N)cc1)COC3 96112826 OLEVFKGJLIHGBN-KRWDZBQOSA-N 332.407 3.078 30 40 EGEB biogenic,in-vitro Cn1nccc1CNC(=O)c1ccccc1Oc1ccccc1C#N 96496444 NBYHTOIFEGHJBH-UHFFFAOYSA-N 332.363 3.014 30 40 EGEB C=CCn1c(SCc2cncc(F)c2)nnc1-c1cccnc1 390834511 ZYPOBXNPFSRJLZ-UHFFFAOYSA-N 327.388 3.353 30 40 EGEB CCCc1nc2ccccc2c(=O)n1/N=C/c1cccc([N+](=O)[O-])c1 547545 SJUBIYYAKQBGSN-XDHOZWIPSA-N 336.351 3.139 30 40 EGEB COC(=O)[C@@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccco1)C2=O 5397450 ULPFHLQSWSCNCQ-PDICVPPASA-N 328.320 3.145 30 40 EGEB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)NCc1cccc(C#N)c1 46039480 NVBIPFHYSJJJTQ-CYBMUJFWSA-N 338.367 3.369 30 40 EGEB N#CCCCSc1nnc(N2CCCCC2)n1Cc1ccco1 22989029 FSUZRPIQRVUZON-UHFFFAOYSA-N 331.445 3.306 30 40 EGEB CC(C)Cc1nnc(/N=C(\O)c2cc(=O)[nH]c3ccccc23)s1 13778561 NKXAMCVHZZBLMZ-UHFFFAOYSA-N 328.397 3.214 30 40 EGEB CN(CCC#N)c1ccc(CNCC2(N(C)C)CCCCC2)cc1 39736782 MAWARCVWKQFFGQ-UHFFFAOYSA-N 328.504 3.391 30 40 EGEB CC[C@@H](C)[C@H](C)N(C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)C1CC1 65593227 WVWYVFKCJFQLNW-DOMZBBRYSA-N 343.471 3.222 30 40 EGEB CCN(C[C@@H](C)C#N)C(=O)c1cnc2c(F)c(Cl)ccc2c1O 72289306 LLGXLJFMSANYAK-VIFPVBQESA-N 335.766 3.355 30 40 EGEB CC(C)N(C)c1nc(N)c(C#N)c([C@H](C#N)Cc2ccccc2)c1C#N 84597174 NPQQRYXRUAFTLP-HNNXBMFYSA-N 344.422 3.102 30 40 EGEB O=C(NCC#CCN1CCc2ccccc2C1)c1cccc(Cl)c1 70641601 DGJKAXSTEDAFJW-UHFFFAOYSA-N 338.838 3.132 30 40 EGEB N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@H]1[C@H]1CCCOC1 566159782 PXPZSMXRYXTUHD-STQMWFEESA-N 325.334 3.367 30 40 EGEB CS(=O)(=O)/N=C(\O)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1 78657708 XMBZOPKHMSNWPZ-CQSZACIVSA-N 341.335 3.001 30 40 EGEB COc1cccc(COc2nn(Cc3ccccc3C)c(N)c2C#N)c1 225844673 BMZLSKMOZRFZKK-UHFFFAOYSA-N 348.406 3.281 30 40 EGEB C=CCN(CC=C)C(=O)c1onc(-c2ccc(F)cc2)c1[C@H](C)O 253396792 FBCBTTZFBGBZSD-LBPRGKRZSA-N 330.359 3.348 30 40 EGEB biogenic,in-vitro C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H](C)c2ccc(C)s2)c1 72311319 LVVZQPRLTHUUEF-AWEZNQCLSA-N 340.448 3.238 30 40 EGEB CC1(C)OB(C2=CCN(C(=O)OCc3ccccc3)C2)OC1(C)C 307306366 CZDQJXICEIGFGE-UHFFFAOYSA-N 329.205 3.197 30 40 EGEB O=C1CCCC2=C1[C@@H](c1cc(Cl)ccc1F)Nc1nonc1N2 20736421 KQWOCDRMDSBBDH-CYBMUJFWSA-N 334.738 3.448 30 40 EGEB CCOC(=O)c1c(C#N)c2cnn(-c3ccccc3)c2n2cccc12 1612513 SXXNYLGNTMYJGD-UHFFFAOYSA-N 330.347 3.327 30 40 EGEB Cc1cc(C(=O)OCc2ccc(C#N)cc2F)c2c(C)noc2n1 32869406 MQLZTJNSFDSIHQ-UHFFFAOYSA-N 325.299 3.207 30 40 EGEB CC(=O)OCC1C2=C(CC(C)(C)CC2=O)OC2=C1C(=O)CC(C)(C)C2 3106462 XSUOIBAIDBVNMT-UHFFFAOYSA-N 346.423 3.482 30 40 EGEB O=C(/N=C1\c2ccccc2CN1c1ncccn1)c1ccc(F)cc1 104778976 XNCUFUNZORKDOU-HAVVHWLPSA-N 332.338 3.223 30 40 EGEB C=CCNC(=O)COc1ccccc1-c1noc(-c2ccc(C)cc2)n1 33325162 ABTUJEJZUBOLCS-UHFFFAOYSA-N 349.390 3.393 30 40 EGEB COc1ccc(C(=O)/C=C/c2cnc(N3CCCC3)nc2)cc1F 44026040 HNOBAWHLJDLDPX-GQCTYLIASA-N 327.359 3.121 30 40 EGEB O=S(=O)(N/N=C/c1ccc(-c2ccc(F)cc2)o1)c1ccccc1 3402083 ALBSQQHZKFMHRM-XDHOZWIPSA-N 344.367 3.398 30 40 EGEB N#C[C@H](c1nc2ccccc2nc1Cl)S(=O)(=O)c1cccs1 8844419 BLXLDFQAYBOBOG-LLVKDONJSA-N 349.824 3.383 30 40 EGEB N#Cc1cccnc1SCC(=O)NCc1ccc(F)c(Cl)c1 71326951 VFOSRMFZYDUWML-UHFFFAOYSA-N 335.791 3.154 30 40 EGEB COc1ccccc1[C@H](NS(=O)(=O)CC1(C#N)CC1)C(C)(C)C 96503197 CWSXQTFVJYFSQF-HNNXBMFYSA-N 336.457 3.006 30 40 EGEB Cc1cccc(-c2nnc(CN(C)CCOc3cccc(C#N)c3)o2)c1 95965836 JTGUGRQZIUTGOR-UHFFFAOYSA-N 348.406 3.428 30 40 EGEB O=S(=O)(CCCC(F)(F)F)/N=C(\O)Cc1ccc(F)cc1F 96487602 WZCXOPAXXWKMNI-UHFFFAOYSA-N 345.289 3.136 30 40 EGEB CCCc1ccc(Cl)c(S(=O)(=O)N[C@@H]2CCC[C@@H]2C#N)c1 585737372 RYNCGFBRBKDFIG-TZMCWYRMSA-N 326.849 3.263 30 40 EGEB CS/C(=N\c1ccc([N+](=O)[O-])cc1C#N)NC(=O)c1ccccc1 17748583 QUSQQILQZJQZLV-UHFFFAOYSA-N 340.364 3.247 30 40 EGEB COCc1cc(C)nc(SCC(=O)Nc2cccc(C)c2)c1C#N 210868 NGABWPIZLVPVEU-UHFFFAOYSA-N 341.436 3.447 30 40 EGEB aggregator COc1cc(/C=C/C(=O)c2ccc(F)cc2)c(OC)c2c1OCO2 15106086 HCRCDHQCNBHHLK-VMPITWQZSA-N 330.311 3.468 30 40 EGEB C/C(=N\NC(=S)NC[C@@H]1CCCO1)c1cccc2ccccc12 46192487 VEGQWCAUASDTBT-NPRIEWAGSA-N 327.453 3.207 30 40 EGEB O=[N+]([O-])c1ccccc1/C=N\N1CCN(c2ccc(Cl)cc2)CC1 4663709 DVAKTGFHOXUGRT-UYRXBGFRSA-N 344.802 3.404 30 40 EGEB COc1cc2c(cc1OC)CN(c1snc(Cl)c1C#N)CC2 47405311 MXBJPIIRKZEHNU-UHFFFAOYSA-N 335.816 3.248 30 40 EGEB CC(=O)Nc1cccc(C(=O)[C@@H](C#N)C(=O)c2sccc2C)c1 103503216 BBIDVUQKSDDBGH-CQSZACIVSA-N 326.377 3.220 30 40 EGEB CCCCCCCc1nnc(SCC(N)=O)n1Cc1ccccc1 100024827 HPVDIQCFWALHRO-UHFFFAOYSA-N 346.500 3.417 30 40 EGEB Cc1nnc(N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c(C#N)c1C 24053981 CRFSGGSKRDOGNU-MRXNPFEDSA-N 336.395 3.078 30 40 EGEB CCC[C@@]12C=C(OC)C(=O)[C@H](C1=O)[C@H](c1ccc3c(c1)OCO3)[C@@H]2C 104247632 VZKISWAFIMEKDK-PAYMVLDXSA-N 342.391 3.233 30 40 EGEB COc1cccc(NC(=O)[C@@H](C#N)Cc2cc(OC)ccc2OC)c1 57525149 IRJOUSKROFWFSR-CQSZACIVSA-N 340.379 3.033 30 40 EGEB COc1ccc2c(c1)/C(=N\N=C1/C[C@@H](c3ccccc3)N=N1)C(=O)N2 13942684 PKMAPPYQFOSCJQ-QIIGAIICSA-N 333.351 3.347 30 40 EGEB CCOC(=O)c1sc(N)c(C#N)c1COC(=O)CC1CCCC1 5528759 XWQGQYKUJYDWSK-UHFFFAOYSA-N 336.413 3.002 30 40 EGEB C[C@@H](C/C(O)=N/S(=O)(=O)c1ccc(F)cc1F)c1ccncc1 95443010 UGHQJTOMTVWJFX-JTQLQIEISA-N 340.351 3.199 30 40 EGEB CC(C)(C)Sc1cc(CNC(=O)N2CCC(C#N)CC2)ccn1 95995228 UBSSZVCAVXKIKY-UHFFFAOYSA-N 332.473 3.417 30 40 EGEB C=CCN1CCN(c2ncc(-c3ccco3)c(-c3ccco3)n2)CC1 72396577 FENCOJMBNIKCQD-UHFFFAOYSA-N 336.395 3.305 30 40 EGEB C=CCSc1nnc(NS(=O)(=O)Cc2ccc(C)cc2)s1 225518614 RFLMAQCRFBCAIA-UHFFFAOYSA-N 341.483 3.067 30 40 EGEB COc1ccccc1[C@H](C)NC(=O)NCc1ccc(C#N)cc1F 96404261 IXTMHPOREOKPGA-LBPRGKRZSA-N 327.359 3.266 30 40 EGEB N#Cc1cccc(C(=O)NCCn2nc(C(F)(F)F)cc2C2CC2)c1 96103721 LPRMSDIZRLTROX-UHFFFAOYSA-N 348.328 3.081 30 40 EGEB CC1(C)OB(c2ccc3cn(Cc4ccccc4)nc3c2)OC1(C)C 201888792 NCJZPVONFJFRAH-UHFFFAOYSA-N 334.228 3.384 30 40 EGEB Cc1ccc(C(=O)N2CCC[C@H](Oc3cc(C#N)ccn3)C2)cc1C 575614344 ZNSAKWYMQQPTIV-SFHVURJKSA-N 335.407 3.254 30 40 EGEB CCc1ccc(/N=C2/C(=O)N(CN3CCOCC3)c3ccccc32)cc1 3067904 MTCGTENZAUDUIF-LSDHQDQOSA-N 349.434 3.006 30 40 EGEB CCOc1cc(C#N)cc(I)c1OC(C)C 370878 ATMNTTYUWJFPPN-UHFFFAOYSA-N 331.153 3.349 30 40 EGEB COc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(C)c3)n2)cc1 58265415 PWJRKFUWRYMRON-CQSZACIVSA-N 338.392 3.042 30 40 EGEB N#Cc1ccc(N2CCC(C(=O)Nc3cccc4[nH]ccc34)CC2)nc1 58424755 WTJCFCDRUJEGEG-UHFFFAOYSA-N 345.406 3.290 30 40 EGEB C[C@]12CC=C3[C@H](CC[C@@]45CC6(CC[C@@]34O5)OCCO6)[C@@H]1CCC2=O 4091815 BAMMJXIMVWLRCU-CSAOODRFSA-N 330.424 3.147 30 40 EGEB N#Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)c(Br)c1 65627126 AEODOZWUJSWVAB-UHFFFAOYSA-N 346.140 3.481 30 40 EGEB C=CCN1C(=O)c2ccc(C(=O)Nc3cc(C)cc(C)c3)cc2C1=O 5687940 HNKRZXDJTSLLTR-UHFFFAOYSA-N 334.375 3.338 30 40 EGEB Cn1cc(/C=C/C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cn1 66391834 NZGYWZJFAWZSEE-URWSZGRFSA-N 335.194 3.121 30 40 EGEB O=C(NCc1ccc(/C=N/c2ccccc2)o1)C(=O)Nc1ccccc1 408781892 FTLFGAHWANIXKH-FYJGNVAPSA-N 347.374 3.285 30 40 EGEB N#Cc1ccccc1NC(=O)CSc1nnc(C2CC2)n1C1CC1 7851316 ZZJDUWIMUCFJQU-UHFFFAOYSA-N 339.424 3.093 30 40 EGEB COc1cc(N[C@@H]2CCCN(c3ncccc3C#N)C2)cc(OC)c1 83920169 ZKISDQFBECFUBJ-OAHLLOKOSA-N 338.411 3.051 30 40 EGEB N#CCN(Cc1ccccc1)C(=O)c1ccccc1-c1cncnc1 78087722 HQSWDFVHQZRQIH-UHFFFAOYSA-N 328.375 3.310 30 40 EGEB CN(Cc1cccc(OC(F)(F)F)c1)C(=O)c1ccc(C#N)cn1 95414311 XQKUGEXYSDHSBJ-UHFFFAOYSA-N 335.285 3.124 30 40 EGEB Cc1noc(CCN/C(=N\C2CC2)N[C@H](C)c2ccc(Cl)cc2)n1 73864928 PGTHQGHNZAFGCM-LLVKDONJSA-N 347.850 3.033 30 40 EGEB CCC(CC)[C@@H]1C[C@@H](NC(=O)NCc2ccc(C#N)cc2F)CCO1 181908112 FSMITZSYFPQUNS-WMZOPIPTSA-N 347.434 3.480 30 40 EGEB Cc1csc(C2(NC(=O)CNc3ccc(C#N)cc3)CCCC2)n1 79034897 AMTRNNSINHBMEY-UHFFFAOYSA-N 340.452 3.321 30 40 EGEB C=C(C)COc1cccc(C(=O)N2CCC(C(=O)OCC)CC2)c1 219780237 QPTSZIDKKORBRZ-UHFFFAOYSA-N 331.412 3.057 30 40 EGEB C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCCC[C@H]1OC 80485494 AQDIVDZXLJVOIV-QZTJIDSGSA-N 327.428 3.213 30 40 EGEB Cc1ccc([C@@H](O)CNC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 40103376 RUCQBPHQLAXSLG-INIZCTEOSA-N 329.787 3.375 30 40 EGEB CCCCCNC(=O)C1CCN(c2cc(C)nc(C)c2C#N)CC1 95430784 GKVHGZYITWTYCG-UHFFFAOYSA-N 328.460 3.093 30 40 EGEB COc1ncc(CNc2ccccc2Oc2ncccc2C#N)c(C)n1 252487043 HRBNTUAQTSBHEA-UHFFFAOYSA-N 347.378 3.465 30 40 EGEB CCN(C)Cc1cccc(CNc2cc(N)c([N+](=O)[O-])c(C#N)c2)c1 283592509 PYAMCBNCZLLNHD-UHFFFAOYSA-N 339.399 3.112 30 40 EGEB COc1ccc(OCCCC(=O)O/N=C(\N)c2ccccc2C)cc1 8429713 ZHMYVKWATSGPIG-UHFFFAOYSA-N 342.395 3.026 30 40 EGEB N#Cc1c(COC(=O)c2ccccc2-n2cccn2)cn2ccccc12 60771820 SUEIWCYYHVNRSF-UHFFFAOYSA-N 342.358 3.354 30 40 EGEB COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3onc(C)c32)cc1O 21660288 JRBFYGLYLRBYDF-INIZCTEOSA-N 326.352 3.262 30 40 EGEB CN1C(=O)/C(=C\NCc2ccc(Cl)cc2)C(=O)c2ccccc21 104050433 BGCBAPDDWSFDCP-PTNGSMBKSA-N 326.783 3.173 30 40 EGEB Cc1c(/N=C/c2nc3ccccc3n2C)c(=O)n(-c2ccccc2)n1C 13111995 XXRGTECJVWBBBM-FYJGNVAPSA-N 345.406 3.122 30 40 EGEB Cc1ccccc1CN1C(=O)[C@@H](C)S/C1=N\N=C\c1ccco1 13617638 QTIPLPVJAAOVDO-SUVYKLBCSA-N 327.409 3.442 30 40 EGEB N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CCOC3)cc2F)c1 71185009 FXLRKCFDMREIHO-OAHLLOKOSA-N 340.354 3.251 30 40 EGEB C=C(Cl)CNC(=O)Nc1cccc(Br)c1COC 71915051 GLWOWPFTBVUDOC-UHFFFAOYSA-N 333.613 3.470 30 40 EGEB COc1cc(/C=N/N2C(=O)C[C@@H]2c2ccccc2)cc(OC)c1OC 71281873 HFNMDEWOVJANIC-RVZJCZPVSA-N 340.379 3.020 30 40 EGEB Cc1ccc(OCc2cccc(C(=O)Nc3ccc(C#N)cn3)c2)cn1 74565543 WVDNEVAKWPOCMC-UHFFFAOYSA-N 344.374 3.488 30 40 EGEB C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1/C(=O)OC=C1O 71789488 QQCLBMUOIGPCDE-GEZDNLFLSA-N 348.439 3.001 30 40 EGEB COc1cccc([C@]2(O)CC[C@@H]3CN(Cc4cccc(C#N)c4)C[C@H]32)c1 229941480 LAKGZRJWGZDTEI-STZQEDGTSA-N 348.446 3.296 30 40 EGEB Cc1csc(C/C(N)=N/OCCOc2ccccc2Cl)n1 97506226 WGDNQGKXYDKQBS-UHFFFAOYSA-N 325.821 3.015 30 40 EGEB C=C(C)CN(C)C(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 96496817 KPOYTSUONUNJDZ-IAGOWNOFSA-N 345.487 3.013 30 40 EGEB C[C@H](C#N)CNC(=O)Nc1ccc(F)c(NC(=O)c2ccsc2)c1 95410845 ZSVQNEHHBVUAKQ-SNVBAGLBSA-N 346.387 3.421 30 40 EGEB COc1ccc([C@@H]2[C@@H](C#N)[C@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 252514099 BESUSWDQCYIADA-BRWVUGGUSA-N 347.823 3.428 30 40 EGEB N#Cc1nc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)[nH]c1C#N 95393139 BIYSYZAPOCSBBP-VHSXEESVSA-N 346.177 3.202 30 40 EGEB COc1cccc(C/C(=N\O)c2cccc(OC)c2OC)c1OC 16970776 LQMGKQKPAAAPEY-XMHGGMMESA-N 331.368 3.142 30 40 EGEB N#C[C@@H](C(=O)CCc1c[nH]c2ccccc12)C(=O)NC1CCCCC1 50678893 HZXFXMSXYCDQIE-KRWDZBQOSA-N 337.423 3.258 30 40 EGEB COc1cc(/C=N/Nc2ccc(Cl)nn2)ccc1OC(F)F 20930144 FSJYWTDKTHDAIL-REZTVBANSA-N 328.706 3.186 30 40 EGEB Cc1cc(=O)oc2ccc(OCC(=O)Nc3sccc3C#N)cc12 33151359 FXUGBBPXSJMMHU-UHFFFAOYSA-N 340.360 3.052 30 40 EGEB C#CC(C)(C)NC(=O)c1cnc(-c2cccnc2)nc1-c1ccccc1 1381843 BIWDCFKQNMUJMT-UHFFFAOYSA-N 342.402 3.347 30 40 EGEB C#CCN(Cc1cccc(C)n1)C(=O)c1ccc(Cl)nc1Cl 96443239 HMAQEZKTMFXXDM-UHFFFAOYSA-N 334.206 3.367 30 40 EGEB Cc1ccc(C)c(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)c1 12857875 ILHMGHBQVISCPZ-FQEVSTJZSA-N 333.435 3.326 30 40 EGEB CC(C)(C)c1ccc(C(=O)O/N=C(/N)c2ccc([N+](=O)[O-])cc2)cc1 6357459 ASWMEZSRXPAHPQ-UHFFFAOYSA-N 341.367 3.370 30 40 EGEB CCSc1nc2n(n1)[C@H](c1ccccc1)C1=C(CCCC1=O)N2 4436126 JKAJNXZZXGYGAX-OAHLLOKOSA-N 326.425 3.412 30 40 EGEB CC(C)[C@@H](NS(=O)(=O)c1ccccc1C#N)c1ccc(F)cc1 14185942 HUYWSMAAKGGJDH-QGZVFWFLSA-N 332.400 3.373 30 40 EGEB N#Cc1c(NS(=O)(=O)Cc2ccccc2)sc2c1CCCC2 27925291 HTJOAAGIZHLYLD-UHFFFAOYSA-N 332.450 3.440 30 40 EGEB C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C=C[C@@H]2[C@H]1CO1 118923369 RJGSCPUIDCIOCH-XXWVXFISSA-N 326.436 3.056 30 40 EGEB CC1(C)CC(=O)C2=C(C1)OC(=O)C[C@@H]2c1coc2ccccc2c1=O 524731027 HNEMUVMXEQXOSU-GFCCVEGCSA-N 338.359 3.467 30 40 EGEB biogenic C=CCN(c1ccccc1)S(=O)(=O)c1ccc(F)c(NC(C)=O)c1 76826088 CDWBQQCYNONASI-UHFFFAOYSA-N 348.399 3.165 30 40 EGEB CC1CC(C#N)(C(=O)N(C)CCOc2ccc(C(F)(F)F)cc2)C1 527057247 DEEQJXDEHYRUHJ-UHFFFAOYSA-N 340.345 3.482 30 40 EGEB CCCc1ccc(Cl)c(S(=O)(=O)N[C@H]2CCC[C@@H]2C#N)c1 585737371 RYNCGFBRBKDFIG-OCCSQVGLSA-N 326.849 3.263 30 40 EGEB Cc1ccc(C(=O)NC2CCN(c3nc(C#N)ccc3C)CC2)s1 596101543 MQXACNYCKUGDCS-UHFFFAOYSA-N 340.452 3.030 30 40 EGEB CC1(C)OB(c2cn(C3CC3)nc2-c2ccc(F)cc2)OC1(C)C 203560096 VRLFUIKZTGYCEN-UHFFFAOYSA-N 328.196 3.323 30 40 EGEB CCC(=O)c1ccc(OCC(=O)OCc2ccc(C#N)cc2F)cc1 11300683 CJARZYUEIWPUAG-UHFFFAOYSA-N 341.338 3.412 30 40 EGEB C=CCNC(=S)/N=C1/N=C2C=CC(Cl)=CN2Cc2ccccc21 3177142 UXKTXOPYOIEWFS-LTGZKZEYSA-N 342.855 3.358 30 40 EGEB CN1C(=S)S[C@@H](/[N+]([O-])=C/c2c(F)cccc2Cl)C1(C)C 70515 FNQWFDOWZAVOAG-OWHAOFTHSA-N 332.853 3.477 30 40 EGEB CN(c1c(F)cccc1F)S(=O)(=O)c1ccc(C#N)c(Cl)c1 58246078 FAMHXVJZVANCLP-UHFFFAOYSA-N 342.754 3.315 30 40 EGEB CCCCN1C(=O)/C(=N\c2ccc3[nH]c(=O)[nH]c3c2)c2ccccc21 3354854 ASEUMWPIZVGQJL-JZJYNLBNSA-N 334.379 3.124 30 40 EGEB N#CCCN(Cc1cccnc1)C(=O)Cc1coc(-c2ccccc2)n1 58356761 WAIFWEYGCMXYBB-UHFFFAOYSA-N 346.390 3.222 30 40 EGEB Cc1cccc(N2C[C@H](c3noc(-c4cccc(C#N)c4)n3)CC2=O)c1 49060371 WUNAJBVRJDFMKS-MRXNPFEDSA-N 344.374 3.437 30 40 EGEB CCc1csc([C@@H]2CCCN(C(=O)c3ccc(C#N)c(C)n3)C2)n1 72282220 MWDFXFCWBRIHTG-CQSZACIVSA-N 340.452 3.300 30 40 EGEB N#Cc1cccc(OCCCCC(=O)N2CCO[C@H]3CCCC[C@@H]32)c1 71894065 BOWMVZHCUZIGFA-OALUTQOASA-N 342.439 3.277 30 40 EGEB O=C1/C(=N/O)c2ccccc2N1CCCOc1ccccc1Cl 96817303 IGTUTNOTXOYNNK-KNTRCKAVSA-N 330.771 3.334 30 40 EGEB CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)C(F)(F)C1 307742429 UVWWFUXWQRTGHR-UHFFFAOYSA-N 345.195 3.430 30 40 EGEB COc1cc(/C=N\O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409255472 KSDVTJBKTRGEHF-OCKHKDLRSA-N 348.786 3.483 30 40 EGEB CCOc1ccc(/C=N\OCC(=O)Nc2ccc(F)cc2)cc1OC 33650935 WHXNAIUQONFMSV-JAIQZWGSSA-N 346.358 3.222 30 40 EGEB CCCS(=O)(=O)/N=C(\O)CCc1ccc(Br)cc1 96452518 BWNNUMGKRSOZCQ-UHFFFAOYSA-N 334.235 3.078 30 40 EGEB CSc1c(Br)cccc1B1OC(C)(C)C(C)(C)O1 642814748 UYELLSSMNFBVCH-UHFFFAOYSA-N 329.068 3.470 30 40 EGEB COc1ccc(/C=C2\C(=O)ON=C2c2ccc(C)c([N+](=O)[O-])c2)cc1 5815020 QTBXSBMOZIDRLN-DHDCSXOGSA-N 338.319 3.256 30 40 EGEB N#Cc1cccnc1N1C[C@H]2CN(c3nc4ccccc4s3)C[C@@H]2C1 2087045477 FQSAEEHCEGNNBC-GJZGRUSLSA-N 347.447 3.136 30 40 EGEB C=CCc1cc(OC)ccc1OC[C@@H](O)CN1C[C@@H](C)C[C@H](C)C1 4263711 UQCLISNAFXATMP-BQFCYCMXSA-N 333.472 3.141 30 40 EGEB Fc1cc(/C=N/NCc2ccccc2Cl)ccc1N1CCOCC1 8812034 WXKHLHMMQKTXQI-CIAFOILYSA-N 347.821 3.439 30 40 EGEB CC1=CC(=O)[C@@H](C(=O)/C=C/c2ccc(Cl)c(Cl)c2)C(=O)O1 22226833 YGGUNZUKGHNGDN-LYKUJDHUSA-N 325.147 3.222 30 40 EGEB COC(=O)c1ccc(C(=O)[C@@H](C#N)C(=O)c2ccc(C)s2)cc1 102763715 CGZQWERCNCIPOB-CYBMUJFWSA-N 327.361 3.049 30 40 EGEB COc1ccc(-c2ccc(C#N)c(=O)n2Cc2cccc(OC)c2)cc1 3128357 JUTNRFVXWWDGJY-UHFFFAOYSA-N 346.386 3.452 30 40 EGEB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(Cc2ccccc2C#N)C1=O 3379211 GKJCDUCENOUFHN-IBGZPJMESA-N 337.354 3.055 30 40 EGEB C=C(C)CN(CC)C(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 12757284 QQXNHFKIHGXPHH-UHFFFAOYSA-N 347.418 3.424 30 40 EGEB C[C@H]1CCCC[C@@H]1NC(=O)CO/N=C/c1ccc(OC(F)F)cc1 6048994 KFKWDBQLYKECIZ-DNIDMCMJSA-N 340.370 3.333 30 40 EGEB N#Cc1cccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)c1 5138934 YJTNWKGEGGGPIN-UHFFFAOYSA-N 326.299 3.378 30 40 EGEB CCCCNc1ccccc1C(=O)OCC(=O)NC1(C#N)CCCC1 4400464 RSNLLZMYUIGZLK-UHFFFAOYSA-N 343.427 3.008 30 40 EGEB COCc1nn2c(N)c(C#N)cnc2c1-c1cccc2ccccc12 20636039 DNYKQBJDYJPJKQ-UHFFFAOYSA-N 329.363 3.150 30 40 EGEB N/C(=N\C(=O)Nc1cccc(Cl)c1)Nc1nc2ccccc2o1 4826876 RDABYHGADJWUAV-UHFFFAOYSA-N 329.747 3.440 30 40 EGEB CN(CC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccsc1 7926962 YRBPVPIHCHYAOD-UHFFFAOYSA-N 331.466 3.240 30 40 EGEB N#C[C@@H](NC(=O)C[C@@](O)(c1ccccc1)C1CC1)c1ccccc1F 95442811 CPANQALHQYNYCW-UYAOXDASSA-N 338.382 3.194 30 40 EGEB N#Cc1ccc(CS(=O)(=O)Nc2c(F)c(F)cc(F)c2F)cc1 96503088 OPTNQEOJSVSGEH-UHFFFAOYSA-N 344.289 3.057 30 40 EGEB C[C@@H](c1ccc(Cl)cc1)N1CCN(C[C@@H](C#N)CCC#N)CC1 96435800 UASGDTMLBJVORM-JKSUJKDBSA-N 330.863 3.462 30 40 EGEB COc1ccccc1/C=N/Nc1cc(N2CCCCC2)nc(C)n1 4595614 WCNVAXNGGCKTEC-CPNJWEJPSA-N 325.416 3.230 30 40 EGEB Cc1cs/c(=N\N=C\c2cccc([N+](=O)[O-])c2)n1Cc1ccco1 6479677 YRVANJZIHSPLKA-RGJFUNKGSA-N 342.380 3.342 30 40 EGEB CCc1nn2c(=N)c(C#N)c[nH]c2c1-c1ccc(Br)cc1 104287512 CMCATKFQIUCPGG-UHFFFAOYSA-N 342.200 3.005 30 40 EGEB OC1=NCCCC[C@@H]1/N=C(\O)c1cc(Cl)c2c(c1)OCCCO2 40521758 UQYBSDALLPBHFB-LBPRGKRZSA-N 338.791 3.315 30 40 EGEB CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Nc1ccc(Br)cc1 32512491 GUWPGMPPPYJKKL-XHDPSFHLSA-N 338.249 3.304 30 40 EGEB CCc1c(C)sc(NC(=O)CCc2c(C)nn(C)c2C)c1C#N 68677745 QWFFMFQEICYWHD-UHFFFAOYSA-N 330.457 3.412 30 40 EGEB C[C@@H]1C[C@@]2(C)C(=CC1=O)CC[C@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)C[C@H](O)[C@@H]12 4778102 QYTBFAIVLHMSQG-JVXGTMRJSA-N 332.484 3.486 30 40 EGEB CCOC(=O)C[C@H](/C=C1\C(=O)[C@]2(C)CC[C@@H]1C2(C)C)C(=O)OCC 100366663 KAUNDGKZMCLVBD-YRRSZYCWSA-N 336.428 3.071 30 40 EGEB C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C)c3cccs3)cc2C1=O 9155313 JFUGJHAUDQNIHC-NSHDSACASA-N 340.404 3.021 30 40 EGEB C[C@H](NC(=O)N1CCC(C#N)CC1)c1ccc(Br)cc1 60977060 IOVIAGKBKSCEGT-NSHDSACASA-N 336.233 3.455 30 40 EGEB N#Cc1cc(N2CCC3(CCN(Cc4ccccc4)CC3)CC2)ncn1 585137671 OCDXEUQKOMSOOA-UHFFFAOYSA-N 347.466 3.231 30 40 EGEB COC(=O)c1ccc(NC(=S)N/N=C(\C)c2ccc(C)cc2)cc1 138584 LMKDWHMTEQQYRN-DEDYPNTBSA-N 341.436 3.492 30 40 EGEB COc1cc(/C=C2/N=C(c3ccccc3C)OC2=O)ccc1OCC#N 6479335 WVZZIFVCTXDJAR-LFIBNONCSA-N 348.358 3.251 30 40 EGEB N#Cc1cnc(N2CCC[C@H](COc3ccncc3)C2)c(Cl)c1 1776001625 CJUYMZOMKVMGRZ-ZDUSSCGKSA-N 328.803 3.297 30 40 EGEB Cc1ccc(S(=O)(=O)/N=C(\O)NCc2ccc(Cl)cc2)cc1 2640238 NSLLGKWFCGNVBD-UHFFFAOYSA-N 338.816 3.041 30 40 EGEB C=CCOc1ccccc1[C@H]1S[C@@H](C)C(=O)Nc2[nH]nc(C)c21 6678645 GTSSDCFGWYKVNQ-XHDPSFHLSA-N 329.425 3.446 30 40 EGEB CC(C)c1ccsc1C(=O)N1CCN(c2ccc(C#N)cn2)CC1 53147103 HHTHHYDVWROERX-UHFFFAOYSA-N 340.452 3.101 30 40 EGEB COCCOc1ccc(C(=O)/C=C/c2cccc(C#N)c2)cc1OC 44027607 AVLDHRYYOHQPOL-SOFGYWHQSA-N 337.375 3.488 30 40 EGEB COc1cc(CNc2ncccc2C#N)ccc1OC[C@H]1CCCO1 44976072 BOBCNRPMOYNLQF-MRXNPFEDSA-N 339.395 3.132 30 40 EGEB CC(=O)/C(=C\Nc1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 6088177 DLKRDQBBTSBQBB-GZTJUZNOSA-N 333.384 3.450 30 40 EGEB N#Cc1ccc(NC(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)cc1 5781217 DFYYYHAQZIHTGD-UHFFFAOYSA-N 338.407 3.256 30 40 EGEB CC(C)[C@@](C)(C#N)NC(=O)CN[C@H](C)c1cccc(C(F)(F)F)c1 7989809 YKRJOZLIAPBQDL-MLGOLLRUSA-N 341.377 3.410 30 40 EGEB C#Cc1cccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2ccccc2)c1 69657085 ODHBUDAJMCTOLX-SFHVURJKSA-N 333.391 3.303 30 40 EGEB C/N=c1\scc(-c2ccc(OC)cc2)n1/N=C(\C)c1cccnc1 17918347 VTPJOKWUGUIYKR-FCPBYBIXSA-N 338.436 3.423 30 40 EGEB C#CCOc1ccc(CCNC(=O)c2cc(Cl)ccc2F)cc1 58018803 YTURTBDDIXFFRW-UHFFFAOYSA-N 331.774 3.464 30 40 EGEB COc1cc(Cl)cc(/C=N/c2ccc(NC(N)=S)cc2)c1O 569571 KNFLQRLMXKBMRT-QGMBQPNBSA-N 335.816 3.460 30 40 EGEB C=CCn1cc(CN2CCC(O)(c3ccccc3C)CC2)c(C)n1 12188733 MCCWCZOUEAMHMD-UHFFFAOYSA-N 325.456 3.170 30 40 EGEB Cn1cc[n+](CC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1 18115383 ZNEPDDZHZRTQDE-UHFFFAOYSA-O 329.464 3.496 30 40 EGEB N#Cc1ccc(S(=O)(=O)N2[C@H]3CC[C@H]2CC(=CC2CC2)C3)cc1 1776008580 HSGJZOODJIYSAD-IRXDYDNUSA-N 328.437 3.210 30 40 EGEB Cc1ccc(NC(=O)C[C@@H]2S/C(=N\N=C\C(C)C)N=C2O)cc1 18093470 BTVGLOVJIPHZAD-YRUBURHZSA-N 332.429 3.393 30 40 EGEB Cc1cccc(CSc2sc3c(O)[nH]c(=O)nc3c2C#N)c1 4987655 HVFBANQOZOYKIL-UHFFFAOYSA-N 329.406 3.163 30 40 EGEB Cc1sc2nc(-c3cccs3)nc(-n3cnc(C#N)n3)c2c1C 22020398 QLEKGYHAEFKMEO-UHFFFAOYSA-N 338.421 3.489 30 40 EGEB Cc1c(/N=C2\C=CC(=O)c3ccccc32)c(=O)n(-c2ccccc2)n1C 18100193 BPCUUELBULRONU-RELWKKBWSA-N 343.386 3.358 30 40 EGEB C=CCNC(=O)COc1cccc(-c2noc(-c3cccc(C)c3)n2)c1 33327273 SZJTUAFAUOEDFS-UHFFFAOYSA-N 349.390 3.393 30 40 EGEB C/C(O)=C1\C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)cc1 102432823 IJCDYURUMCVGDX-RBFDBLARSA-N 342.782 3.220 30 40 EGEB COc1ccccc1CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl 103504476 LVEDIWRMUODRPY-CYBMUJFWSA-N 342.782 3.239 30 40 EGEB COCCNC(=S)N/N=C/c1c2ccccc2cc2ccccc12 3377868 LSQJOTMPWZJCFX-FYJGNVAPSA-N 337.448 3.437 30 40 EGEB C[C@H]1CCCC[C@H]1NC(=O)CO/N=C/c1ccc(OC(F)F)cc1 6048997 KFKWDBQLYKECIZ-AAYHTFHISA-N 340.370 3.333 30 40 EGEB O=C(/C=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccccc1 408622396 PEMWLROUYXHIOC-RMKNXTFCSA-N 338.363 3.328 30 40 EGEB CCC(=O)N1CCC[C@H]1[C@@H]1CCCN1Cc1cc(C#N)ccc1F 69668103 HVUCDJXROPRAQT-ROUUACIJSA-N 329.419 3.063 30 40 EGEB Cc1cc(N2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)c(C#N)cn1 579465627 VHDJBOQGVLXHOR-AWEZNQCLSA-N 348.328 3.333 30 40 EGEB C[C@H]1C[C@@H](c2ccsc2)CN1S(=O)(=O)Cc1cccc(C#N)c1 96421284 LQILCPPQPNVGNK-SUMWQHHRSA-N 346.477 3.328 30 40 EGEB C=CCO/N=C(\CCC)C1=C(N2CCOCC2)CC(C)(C)CC1=O 5417216 GRGHMTRJBZNCDT-HMMYKYKNSA-N 334.460 3.321 30 40 EGEB COCc1c(C#N)c(Nc2ccc(OC)cc2)nc(C)c1[N+](=O)[O-] 4710275 WCGNQGBWCUZDBE-UHFFFAOYSA-N 328.328 3.069 30 40 EGEB C=C(C)COc1nc2c3c4c(sc3nc(C)n2n1)COC(C)(C)C4 32103193 FZZRLUGVJXRDPI-UHFFFAOYSA-N 344.440 3.454 30 40 EGEB Cc1nc2c([nH]c3ccc(F)cc32)c(=O)n1/N=C/c1cccc(F)c1 552237 MAIBUAMHANSZNO-ZVBGSRNCSA-N 338.317 3.347 30 40 EGEB COc1cc(C#N)cc(Cl)c1OCC(=O)N1C[C@@H](C)C[C@@H](C)C1 12623218 KXBKKWNLKKUHIG-TXEJJXNPSA-N 336.819 3.104 30 40 EGEB Cc1nn(CC(C)C)c(C)c1C/C(O)=N/c1nc(C(F)(F)F)n[nH]1 36744240 ITEFKDWXJJHEMZ-UHFFFAOYSA-N 344.341 3.124 30 40 EGEB CCOc1cccc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 408589906 NKDNUIHIDPEKBT-MHWRWJLKSA-N 330.300 3.348 30 40 EGEB N#Cc1cccc(NC(=O)CSc2nc3cc(Cl)cnc3[nH]2)c1 5310308 IEZYLPDLEODMNW-UHFFFAOYSA-N 343.799 3.214 30 40 EGEB Cc1nc(NC(=O)c2c(O)cc(F)cc2F)sc1SCC#N 66046788 OKNGHSWRVXMZKB-UHFFFAOYSA-N 341.364 3.303 30 40 EGEB C=CCOc1cccc(NC(=O)N2CC[C@@H](CN(C)CCC)C2)c1 72309877 KXEKXQQXBVVUQX-INIZCTEOSA-N 331.460 3.447 30 40 EGEB COC(=O)c1cccc(/N=C\c2ccc(OCC(=O)O)c(Cl)c2)c1 408820118 VFUOSWRMTCHEPG-OCKHKDLRSA-N 347.754 3.341 30 40 EGEB C=CCNc1nc(-c2ccc(N(CC)S(C)(=O)=O)cc2)cs1 8209009 WTFVLVLIONBACO-UHFFFAOYSA-N 337.470 3.194 30 40 EGEB CC(C)(C#N)C(=O)Nc1cnn(-c2ccccc2Br)c1 89620841 DNEYAXWJPIQDGZ-UHFFFAOYSA-N 333.189 3.123 30 40 EGEB CC(C)OC(=O)COc1ccc(/C=N/c2ccc(C(=O)O)cc2)cc1 409186610 FMVSUSQLMSAURU-RGVLZGJSSA-N 341.363 3.466 30 40 EGEB Cc1cccc2c1/C(=N/O)C(=O)N2CCOc1ccccc1Cl 46085129 CGOOOQSWWMPKKQ-MNDPQUGUSA-N 330.771 3.252 30 40 EGEB CC(C)NC1CCN(Cc2ccc(C#N)cc2Br)CC1 96496424 OALSNJVUZXENNB-UHFFFAOYSA-N 336.277 3.283 30 40 EGEB C=C(Br)CN1CCC(C(=O)N(C)c2ccccc2)CC1 95431607 RFVWXWATNLPMOJ-UHFFFAOYSA-N 337.261 3.270 30 40 EGEB Cc1nc(-c2ccc(S(=O)(=O)Oc3cccc(C#N)c3)cc2)co1 96409572 OFRSORYOTJGXCD-UHFFFAOYSA-N 340.360 3.289 30 40 EGEB CN(Cc1ccco1)Cc1ccccc1CNc1nccnc1C#N 96429598 VFYUADCNKWMNKZ-UHFFFAOYSA-N 333.395 3.185 30 40 EGEB O=C1N/C(=N\c2ccccc2)S/C1=C/c1cccc([N+](=O)[O-])c1 13475921 HRVYDXQFNJHPGV-GXDHUFHOSA-N 325.349 3.486 30 40 EGEB CC(=O)c1cc(Br)c(F)c(B2OC(C)(C)C(C)(C)O2)c1 888086844 XHMVJIFLRJAXRF-UHFFFAOYSA-N 343.001 3.090 30 40 EGEB COc1ccc([C@H]2NC3=C(CCCC3)C(C#N)(C#N)C2(C#N)C#N)cc1 537499 TZHQIPKHYTZMJO-GOSISDBHSA-N 343.390 3.235 30 40 EGEB CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCc1ccccc1 47010792 XNNLJTMCYWGRLB-UHFFFAOYSA-N 335.451 3.081 30 40 EGEB N#Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1Cl 8216435 WQIOUJQYZIZPCN-ZDUSSCGKSA-N 339.782 3.203 30 40 EGEB COc1ccc(Cl)cc1/C(N)=N/OC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 105543966 GRGFNMNUSPLRPH-SDDRHHMPSA-N 336.819 3.338 30 40 EGEB O=C1CS/C(=N\c2ccn(Cc3ccc(Cl)cc3)n2)N1C1CC1 101585269 XWQCASPEQDOVIH-VLGSPTGOSA-N 346.843 3.310 30 40 EGEB CCOC(=O)C1CCN(c2ccc(C(F)(F)F)cc2C#N)CC1 78336417 UWPAQPHIBRAEBJ-UHFFFAOYSA-N 326.318 3.357 30 40 EGEB CN1C(=O)/C(=N/Nc2ccc(Br)cc2)c2ccccc21 100327121 LZTGVBDAPYXERF-NBVRZTHBSA-N 330.185 3.242 30 40 EGEB O=[N+]([O-])c1cccc(-c2cs/c(=N/N=C/c3ccccc3O)[nH]2)c1 17016877 KIJUSYPHHQQMLD-RQZCQDPDSA-N 340.364 3.292 30 40 EGEB O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccncc1 409405953 PMYLDABADFLNMG-UHFFFAOYSA-N 326.359 3.341 30 40 EGEB Cc1ccc(C(=O)/C=C/c2cc([N+](=O)[O-])cc3c2OCOC3)c(O)c1 4728736 MRXFVDXJGFKWPO-HWKANZROSA-N 341.319 3.371 30 40 EGEB C=CCSc1nccc(-c2nn(-c3ccc(C)cc3)ccc2=O)n1 5746805 QSKWJKMGWQGQFN-UHFFFAOYSA-N 336.420 3.276 30 40 EGEB N#CC1(NC(=O)CN2CCc3sccc3[C@H]2C2CC2)CCCC1 7880183 MGYXWYIZLNTXDB-QGZVFWFLSA-N 329.469 3.010 30 40 EGEB Cn1c(CCCNC(=O)/C=C/c2cccc(C#N)c2)nc2ccccc21 72290190 IBCPFEMPGUXSFO-VAWYXSNFSA-N 344.418 3.207 30 40 EGEB C=C(C)CN1CCC(NC(=O)Nc2cccc(NC(=O)OC)c2)CC1 71880049 OMRLXXVBFALUDK-UHFFFAOYSA-N 346.431 3.027 30 40 EGEB Cc1c(C(=O)Oc2ccc(F)c3c2C(=O)C[C@H]3C)cnn1CCC#N 585125833 HBRGLCGBIZEPCQ-SNVBAGLBSA-N 341.342 3.153 30 40 EGEB N#CCC1CN(C(=O)C2(c3cccc(OC(F)(F)F)c3)CCC2)C1 598025751 NBASFHDGCOLPBF-UHFFFAOYSA-N 338.329 3.379 30 40 EGEB CCOc1ccc([C@@H]2C3=C(C[C@@H](C)CC3=O)Nc3nc(C)nn32)cc1 14607483 XUEXNWVQZVZXDY-ADLMAVQZSA-N 338.411 3.253 30 40 EGEB COC(=O)[C@@H](Cc1ccccc1)N/C=C\C(=O)c1ccc(Cl)cc1 6187436 ZHBYPDRYQALCDT-WFTPILKQSA-N 343.810 3.410 30 40 EGEB COc1ccc(/C(C)=N/NC(=S)NC2CCCCC2)cc1OC 6299192 LOEABOXOYVQFBV-XDHOZWIPSA-N 335.473 3.225 30 40 EGEB CCC[C@H]1C(C#N)(C#N)[C@@]2(C#N)C(=N)O[C@@]1(C)O[C@@H]2c1ccccc1 100724421 SBKVXNYVGBVMGA-FXRXJOCMSA-N 334.379 3.441 30 40 EGEB CCOC(=O)ON1C(=O)c2ccccc2N2COc3ccccc3[C@@H]12 134618 FAGPKYOCFLITQF-MRXNPFEDSA-N 340.335 3.086 30 40 EGEB COc1cc(/C=C/C(=O)Nc2nc(C)cs2)ccc1OCC#N 2661295 GKWBVHAAXUZGGD-GQCTYLIASA-N 329.381 3.014 30 40 EGEB C=CCNC(=O)CSc1nnc2c(n1)[nH]c1ccc(C(C)C)cc12 4861453 WDDMIHAMSMRIRP-UHFFFAOYSA-N 341.440 3.024 30 40 EGEB Cc1ccc(S(=O)(=O)/N=C(\O)c2c(C)cc3ccccn23)cc1 3193709 CJKGMWINISBJCY-UHFFFAOYSA-N 328.393 3.250 30 40 EGEB COc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2c2ccccc2F)cc1 1440186 KGCTVQQSKSEUDF-QGZVFWFLSA-N 341.338 3.323 30 40 EGEB COc1ccc(CN2CCN(Cc3ccccc3C#N)CC2)cc1F 25797218 KCKDMBKVUWYRRZ-UHFFFAOYSA-N 339.414 3.024 30 40 EGEB N#Cc1ccc(OCC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 44895737 RZUWTRGUNRFYGL-CHWSQXEVSA-N 326.318 3.174 30 40 EGEB CC(C)(C)OC(=O)NC[C@H]1CCCN(Cc2ccc(C#N)cc2)C1 58225098 WUOFWERWMTYAGT-QGZVFWFLSA-N 329.444 3.295 30 40 EGEB COc1ccc(/C=N/n2c(-c3ccccc3)n[nH]c2=S)cc1O 20932530 PCLWWZVSQPTHQW-LICLKQGHSA-N 326.381 3.204 30 40 EGEB C[C@H]1CCCN(C(=O)C2CCN(Cc3ccc(C#N)cc3F)CC2)C1 45804757 VARUMRJABSZRKY-HNNXBMFYSA-N 343.446 3.168 30 40 EGEB COc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(C#N)cc1 3474624 DOKNKQFOWFJPHJ-UHFFFAOYSA-N 344.754 3.016 30 40 EGEB Cn1cc(C#N)cc1C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 81664769 FNCIQDPWQWDMKK-CQSZACIVSA-N 334.379 3.058 30 40 EGEB CC(C)CCO[C@H](C)/C(O)=N/S(=O)(=O)c1ccc(F)cc1F 69282516 NATJKUCNJFFFNY-SNVBAGLBSA-N 335.372 3.061 30 40 EGEB Cc1n[nH]c(=S)n(/N=C/c2c(Cl)ccc(Cl)c2Cl)c1=O 4423923 QSRHXUXRZDXWSI-SYZQJQIISA-N 349.630 3.452 30 40 EGEB N#C[C@@]1(NC(=O)c2ccc(Oc3cccnc3)cc2)CCSC1 67918264 TVXGFXWFABRREJ-KRWDZBQOSA-N 325.393 3.003 30 40 EGEB N#Cc1cc(CN[C@H](CO)c2cccc(Br)c2)ccc1F 183912505 CNPPDVHNYGGYIG-MRXNPFEDSA-N 349.203 3.283 30 40 EGEB COc1cc(C#N)ccc1OCCOc1cccnc1Br 77239101 MNORQMVVSAZGEB-UHFFFAOYSA-N 349.184 3.182 30 40 EGEB CC(C)Cc1c(N)cc(C#N)n1CC(=O)Nc1ccc(Cl)cc1 225861121 JLHAMJMHJATBMX-UHFFFAOYSA-N 330.819 3.433 30 40 EGEB COc1cccc(CC/N=C(/O)Nc2ccc3c(c2)OCC(O)=N3)c1 330032596 POAYXDKZAMQKAT-UHFFFAOYSA-N 341.367 3.244 30 40 EGEB CCN(CC)C(=O)c1cccc(N/C(O)=N/CC(F)(F)C(F)F)c1 330032838 SFCGRDZBJQABAV-UHFFFAOYSA-N 349.328 3.395 30 40 EGEB Cn1ccc(C(O)=Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1=O 330032906 UIMASNIFWLBLTC-UHFFFAOYSA-N 329.356 3.227 30 40 EGEB CCOC(=O)COc1ccc2c(c1)O/C(=C\c1cccs1)C2=O 9530683 KWAUXTUODDFPAT-DHDCSXOGSA-N 330.361 3.306 30 40 EGEB Cc1ccc(Sc2ccc(/C=N/[C@@H]3CCS(=O)(=O)C3)o2)cc1 32593344 JYWJRGHIKMAPON-VGSSETLESA-N 335.450 3.345 30 40 EGEB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(Cc1ccc(C#N)cc1)C2=O 3405452 WGAGKZNBLMODGG-ORAYPTAESA-N 325.412 3.195 30 40 EGEB N#Cc1cnc(NC2CCN(Cc3ccccn3)CC2)c(Cl)c1 69557546 FUKOFRDLGOTXGO-UHFFFAOYSA-N 327.819 3.078 30 40 EGEB N#Cc1ccccc1Cn1nnc(-c2cccc(C(F)(F)F)c2)n1 6627426 RGODYUMABYGRHR-UHFFFAOYSA-N 329.285 3.279 30 40 EGEB Cc1cccc(OC2CCN(c3ncc(C#N)cc3Cl)CC2)n1 96011350 CIOAHXNWMLAALO-UHFFFAOYSA-N 328.803 3.358 30 40 EGEB C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)NCc1cc(C#N)ccc1F 95412566 MOYIHZJUUQPZLJ-SCLBCKFNSA-N 341.386 3.009 30 40 EGEB COc1ccccc1[C@@H](C#N)NC(=O)c1cnn(C)c1-c1ccccc1 95985584 BRGJNKXQLIZNSH-QGZVFWFLSA-N 346.390 3.090 30 40 EGEB C#CC[C@@H](NC(=O)Nc1ccc(C(=O)NCC)cc1)c1ccccc1 89977515 ZDBSMZJMIIROMK-GOSISDBHSA-N 335.407 3.322 30 40 EGEB O=[N+]([O-])c1ccc(N/N=C\c2ccc(N3CCCCCC3)o2)nc1 408914150 XICSXGJRSPZCHH-PDGQHHTCSA-N 329.360 3.409 30 40 EGEB N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@@H]1[C@@H]1CCCOC1 566159779 PXPZSMXRYXTUHD-CHWSQXEVSA-N 325.334 3.367 30 40 EGEB Cc1cccc(OCCN2C(=O)/C(=N\O)c3c(Cl)cccc32)c1 46085235 NSWLFCOFLDKISM-MNDPQUGUSA-N 330.771 3.252 30 40 EGEB C=CCN(CCO)C(=O)Nc1ccccc1CN(C)C1CCCCC1 96408994 LZELWRUQKAAESS-UHFFFAOYSA-N 345.487 3.463 30 40 EGEB N#Cc1ccc(CCC(=O)N2CCC([C@H](O)c3ccccc3)CC2)cc1 31269443 PAVOWESQOSWJDG-JOCHJYFZSA-N 348.446 3.463 30 40 EGEB COc1cc(/C=C/C(=O)N2CCc3ccccc32)ccc1OCC#N 2661269 BNJYASYWJVUDDP-VQHVLOKHSA-N 334.375 3.200 30 40 EGEB Cc1[nH]c2ccccc2c1CC(=O)N(CCC#N)Cc1ccccn1 69629649 POXBDOVXTCOZOL-UHFFFAOYSA-N 332.407 3.356 30 40 EGEB Cc1cc(O)nc(N/N=C\c2c[nH]c3ccc(Br)cc23)n1 8619289 IVAYROBZVBCMRT-IDUWFGFVSA-N 346.188 3.180 30 40 EGEB O=c1[nH]c(N/N=C/c2ccc(F)cc2)nc2sc3c(c12)CCCC3 57505461 LOSPELCJCMLPBD-DJKKODMXSA-N 342.399 3.449 30 40 EGEB COc1ccc(F)cc1COC(=O)[C@H](C)Oc1ccc(C#N)cc1 10780897 IICRQFHTBAPKTB-LBPRGKRZSA-N 329.327 3.217 30 40 EGEB CC/C(=N\NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1O 62779955 KYCWNZGXYIDXDK-SAPNQHFASA-N 338.816 3.138 30 40 EGEB N/C(=N\O)c1cn(CCOc2ccc(Cl)cc2)c2ccccc12 4140763 YDIOEGKOBLRGKJ-UHFFFAOYSA-N 329.787 3.468 30 40 EGEB Cc1sc(NC(=O)CN(C)CCOc2ccccc2)c(C#N)c1C 96970700 RAXJYETZXUCODA-UHFFFAOYSA-N 343.452 3.186 30 40 EGEB CC(C)[C@@H](c1cccnc1)N(C)C(=O)C#Cc1ccc2c(c1)OCO2 95416904 LUROHOLRPRXVRK-FQEVSTJZSA-N 336.391 3.018 30 40 EGEB CCc1ccccc1N=C[C@H]1C(=O)NC(=O)N(c2ccccc2C)C1=O 408529175 CIFKCBPNWBTYDV-HNNXBMFYSA-N 349.390 3.159 30 40 EGEB Cc1ccc2c(c1)/C(=N/O)C(=O)N2CCOc1ccc(Cl)cc1 39853936 QIMLDTUJABBECA-MNDPQUGUSA-N 330.771 3.252 30 40 EGEB Cc1ccc([C@H](O)CNC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 40103375 RUCQBPHQLAXSLG-MRXNPFEDSA-N 329.787 3.375 30 40 EGEB COc1cccc(COc2nn(Cc3ccc(C)cc3)c(N)c2C#N)c1 225846363 IEUHVWJSJIMJBH-UHFFFAOYSA-N 348.406 3.281 30 40 EGEB N#CCc1cc(Br)cnc1NCCc1ccc(CO)cc1 1615058557 QJVOPQDMDWHTSL-UHFFFAOYSA-N 346.228 3.057 30 40 EGEB N#Cc1ccsc1NC(=O)COC(=O)c1cc2c(s1)CCCC2 5307398 XKWFWYGRBSARNL-UHFFFAOYSA-N 346.433 3.356 30 40 EGEB CCOC(=S)SCC(=O)Nc1sc2c(c1C#N)CCCC2 3299374 NEZKTNWWTQKXPR-UHFFFAOYSA-N 340.495 3.492 30 40 EGEB C#CCOc1cccc([C@@H]2CC(O)=Nc3c2ncn3-c2cccnc2)c1 40282890 GBHBLMDWXQZJQF-KRWDZBQOSA-N 344.374 3.403 30 40 EGEB CC(=O)Nc1c(C)cccc1C(=O)OCc1ccc(C#N)cc1F 11947767 VQEJEYNBQPDWBO-UHFFFAOYSA-N 326.327 3.321 30 40 EGEB N#C[C@@H](Cc1ccncc1)C(=O)Nc1ccc(Br)cc1 419720 KYQDSNKHYIUQIU-GFCCVEGCSA-N 330.185 3.165 30 40 EGEB CCO[C@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc(OC)cc2)cs1 70017836 VSWPGKJNTJFRKR-BXUZGUMPSA-N 330.409 3.420 30 40 EGEB CC(=O)NCc1ccc(C(=O)N(CCC#N)c2ccc(C)cc2)cc1 69457800 OFKPGUNFDNFABW-UHFFFAOYSA-N 335.407 3.192 30 40 EGEB O=C1N/C(=N\N=C\c2ccco2)S[C@@H]1Cc1cccc(Cl)c1 4866437 YDYRFTKISCGOEC-LFMVTYOGSA-N 333.800 3.097 30 40 EGEB Cc1nc(S[C@H](C)C(=O)Nc2ccccc2C#N)nc(C)c1C 8988727 CDJOGQHSARDINF-CYBMUJFWSA-N 326.425 3.393 30 40 EGEB C[C@H](C#N)CSc1ccccc1NC(=O)N1CCCN(C)CC1 97052088 VBAKJBIUMVUHRI-CQSZACIVSA-N 332.473 3.108 30 40 EGEB CC(C)OCC[C@@](C)(C#N)NC(=O)c1ccc(F)c(Cl)c1F 97137666 WRQWPUXCGMGLFE-HNNXBMFYSA-N 330.762 3.445 30 40 EGEB Cc1c(CNc2ccc(CNC(=O)OC(C)C)cc2)cc(C#N)n1C 95429221 RVQNILGPUNSXKT-UHFFFAOYSA-N 340.427 3.452 30 40 EGEB O/C(=N/[C@H]1CCCC2(C1)OCCO2)c1cc(O)ccc1C(F)(F)F 330031596 ATFWGMHTSLLADJ-JTQLQIEISA-N 345.317 3.401 30 40 EGEB COc1cccc([C@@]2(O)CC[C@H]3CN(Cc4ccc(C#N)cc4)C[C@@H]32)c1 13568925 KMCCQEQBARDROD-NYVOZVTQSA-N 348.446 3.296 30 40 EGEB C/C(=N\Nc1cccc([N+](=O)[O-])c1)c1ccc(N2CCOCC2)cc1 5657134 MJXCRMLUVCEWIX-XMHGGMMESA-N 340.383 3.268 30 40 EGEB COc1ccc([C@H](C#N)OC(C)=O)c(OCc2ccccc2)c1OC 36423 YZLFKAJTDDGTTA-KRWDZBQOSA-N 341.363 3.411 30 40 EGEB CN1CCN(c2oc(Cc3cccc4ccccc34)nc2C#N)CC1 537937 BVWOZQHOGWHNMV-UHFFFAOYSA-N 332.407 3.042 30 40 EGEB Cc1cc(C)cc(O[C@@H](C)c2ccnc3nc(/N=C/N(C)C)nn23)c1 100912195 HISMRUWQMRIUPQ-HXJASHHUSA-N 338.415 3.103 30 40 EGEB CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@H]2c1ncc[nH]1)OCO3 18197401 QLHLERFSRHHDHH-MRXNPFEDSA-N 337.379 3.339 30 40 EGEB C[C@](C#N)(NC(=O)CNc1cccc(C(=O)c2ccccc2)c1)C1CC1 58415442 GKBIDOZRTPXKIZ-OAQYLSRUSA-N 347.418 3.138 30 40 EGEB N#Cc1ccccc1C(=O)c1ccccc1I 2392636 FWPLVAHRSRZQLB-UHFFFAOYSA-N 333.128 3.394 30 40 EGEB C[C@H](OC(=O)c1cc2ccccc2[nH]1)C(=O)NC1(C#N)CCCCC1 11227808 FJDYSVFTWZJZIP-ZDUSSCGKSA-N 339.395 3.056 30 40 EGEB C#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)c1 12922473 AWQFEKBRPWSPDH-GOSISDBHSA-N 334.375 3.038 30 40 EGEB CN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1cccc(C#N)c1 65552796 RLMBZWRRLJNBSR-UHFFFAOYSA-N 336.351 3.317 30 40 EGEB C#CCN(C[C@H]1CCCO1)C(=O)N[C@@H]1CCSc2ccc(C)cc21 72270267 KZSOAPJFRYRWDG-NVXWUHKLSA-N 344.480 3.356 30 40 EGEB CCOC(=O)CCCCn1cc(C#N)c(=O)c2cc(Cl)ccc21 72292142 ANQZZLSOPPBWTJ-UHFFFAOYSA-N 332.787 3.260 30 40 EGEB Cc1cc(CC(=O)Nc2ncc(Cc3cccc(C#N)c3)s2)no1 95397143 GUOKACPQIJYWDO-UHFFFAOYSA-N 338.392 3.083 30 40 EGEB CCOc1ccc(C=Nn2c(O)nc3ccccc3c2=O)cc1Cl 409354065 XNOPZUUZQXGVSW-UHFFFAOYSA-N 343.770 3.036 30 40 EGEB CC1=CC(=O)C(C(C)C)=C/C1=N/OC(=O)c1ccccc1[N+](=O)[O-] 408924474 JAZAEBYVVXGLBU-JXAWBTAJSA-N 328.324 3.219 30 40 EGEB CC(=O)c1cccc(OCC(=O)Nc2cc(C#N)cn2C(C)(C)C)c1 78665194 XPJTWYSYEBXKHU-UHFFFAOYSA-N 339.395 3.335 30 40 EGEB CO[C@@H](C)c1cccc(N[C@H]2CCN(c3ccc(C#N)cc3)C2=O)c1 79354977 SFMJWYZHWXKJOG-LIRRHRJNSA-N 335.407 3.483 30 40 EGEB CC1=NN(Cc2ccccc2)C(=O)[C@H]1[C@H](c1ccccc1)C(C#N)C#N 95351585 ZIGSJELRQGYINN-WOJBJXKFSA-N 342.402 3.468 30 40 EGEB C[C@H]1C[C@@H]1[C@H](NS(=O)(=O)CCCC#N)c1ccc(Cl)cc1 96428565 FMHNQUUBOSAELJ-TUKIKUTGSA-N 326.849 3.260 30 40 EGEB CCO[C@H]1Oc2ccc(C)cc2C(=O)/C1=C/Nc1nnc(S)s1 5953352 LLFCSMPTMLNMEO-SZNGSJQDSA-N 349.437 3.069 30 40 EGEB ClC(/C=N\N1CCN(c2ccccn2)CC1)=C\c1ccccc1 13114000 DIVHNASUCKLCEI-NJGMCBKPSA-N 326.831 3.469 30 40 EGEB N#Cc1ccccc1OCC(=O)NCCc1ccc(C(F)(F)F)cc1 15316489 KVGGTJUECMPGLE-UHFFFAOYSA-N 348.324 3.315 30 40 EGEB CN(C)c1ccc(/C=N\c2ccc(NC(=O)CCC(=O)O)cc2)cc1 16791115 URCSJCNMZIKBIG-MOSHPQCFSA-N 339.395 3.307 30 40 EGEB CO[C@@H]1CCCN(c2ccc(NC(=O)c3cccc(C#N)c3)cc2)C1 96122428 PYIFGBKLEFSLKZ-LJQANCHMSA-N 335.407 3.426 30 40 EGEB O=C(C[n+]1ccccc1Br)c1ccc2c(c1)CCCC2 1669550 MTBKUVMOSSYHRU-UHFFFAOYSA-N 331.233 3.498 30 40 EGEB COc1ccc(C(=O)[C@@H](C)Sc2nc3c([nH]2)C(=O)C=C3C)cc1 6419724 DRYLOMHRPLSLSF-SNVBAGLBSA-N 328.393 3.381 30 40 EGEB Cc1cccc(OCC(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)c1 103504459 IEOBALJUYYFVLK-AWEZNQCLSA-N 342.782 3.375 30 40 EGEB Cc1nc(C)c(C#N)c(S[C@@H](C(=O)NC2CC2)c2ccccc2)n1 12780382 VZFGGQWTVYASHC-MRXNPFEDSA-N 338.436 3.077 30 40 EGEB N#Cc1ccccc1COC(=O)c1ccc(OC[C@H]2CCCO2)cc1 5229113 ZBKVMBGQCCYSNW-LJQANCHMSA-N 337.375 3.473 30 40 EGEB C/C(=N/NC(=S)NC1CCCCC1)c1ccc2c(c1)OCCCO2 34882145 AGQITWDQOOTMTQ-MOSHPQCFSA-N 347.484 3.369 30 40 EGEB N#C[C@H](C(=O)c1cc2c(s1)CCC2)c1nnc2n1CCCCC2 60851398 JGMONKCJAGTGAB-GFCCVEGCSA-N 326.425 3.045 30 40 EGEB CCOc1ccc(-n2nc(C#N)c(N3CCCC[C@H]3CC)n2)cc1 256047740 OHRJVCRLSIEEIG-CQSZACIVSA-N 325.416 3.307 30 40 EGEB COc1ccc(OC)c(/C=N/N=C/c2cc(OC)ccc2OC)c1 1606210 GPEYOIVCDYPQHX-AYKLPDECSA-N 328.368 3.174 30 40 EGEB CCOC(=O)[C@H](C#N)c1c(F)c(F)c(Br)c(F)c1F 3179280 ZOLWINDTHUGQIM-SCSAIBSYSA-N 340.070 3.176 30 40 EGEB CCCC[C@H](CC)CN[C@@H](CC(=O)Nc1ccccc1C#N)C(=O)O 5258646 RSEBVPJDKDUCLR-YOEHRIQHSA-N 345.443 3.146 30 40 EGEB Cc1nn(-c2ccccc2)cc1C(=O)[C@@H](C#N)C(=O)c1ccoc1C 100700550 SGOADARXSOSQKH-INIZCTEOSA-N 333.347 3.288 30 40 EGEB C=C(C)CN(CC)C(=O)CNc1cc(NC(=O)C(C)C)ccc1C 55844613 OGIBSTDAZPAWFN-UHFFFAOYSA-N 331.460 3.426 30 40 EGEB CCn1cc(C(=O)/C=C/c2ccc(OCc3noc(C)n3)cc2)cn1 58230341 PJUAUFDYRDMQQU-RMKNXTFCSA-N 338.367 3.070 30 40 EGEB CCCOc1ccc(-c2nc(C#N)c(NCCCN(C)C)o2)cc1 2408056 SBQWBQGBSWQHBH-UHFFFAOYSA-N 328.416 3.366 30 40 EGEB CCN1C(=O)/C(=C/c2cn(CC#N)c3ccccc23)SC1=S 409378241 NWSRNGYHOMJJKY-ZROIWOOFSA-N 327.434 3.386 30 40 EGEB N#Cc1cccc(C(=O)NCc2ccccc2CN2CCCCC2)c1 7850361 YZAKGGQCVWFTLC-UHFFFAOYSA-N 333.435 3.474 30 40 EGEB CC(C)(C)OC(=O)NC[C@H]1CCCCN1Cc1ccccc1C#N 68958011 WROGARAQZAMZSX-QGZVFWFLSA-N 329.444 3.437 30 40 EGEB N#Cc1cnc(N2CCC(NC(=O)c3ccsc3)CC2)c(Cl)c1 69439980 SYINAYJCHJYILP-UHFFFAOYSA-N 346.843 3.067 30 40 EGEB N#Cc1nccnc1N[C@H]1CCCc2c1cnn2Cc1ccccc1 95397035 RLYUARUIVWNWHS-INIZCTEOSA-N 330.395 3.083 30 40 EGEB N#CCCN(Cc1ccco1)C(=O)Nc1ccc(-n2cccn2)cc1 89797686 YGNYINCMRWXDGR-UHFFFAOYSA-N 335.367 3.413 30 40 EGEB C=CCc1cc(/C=N\c2cccc(O)c2)cc(OC)c1OCC(=O)O 408822364 LWNUDQGXAFGKRN-JAIQZWGSSA-N 341.363 3.343 30 40 EGEB CCNC(=S)N/N=C/c1cc(Cl)c(O[C@@H](C)CC)c(OC)c1 33736981 CUEKHNKMIPMIMI-NTOSSWPYSA-N 343.880 3.344 30 40 EGEB O=C(CCCc1ccccc1)NCC#CCN1CCc2ccccc2C1 75165014 INGQDLNFKSVXSW-UHFFFAOYSA-N 346.474 3.187 30 40 EGEB COc1ccc2c(c1)[C@@H](/C(O)=N/Cc1nnc(C3CCC3)n1C)CC2 330346187 GENFCPAPHRQBFN-HNNXBMFYSA-N 340.427 3.278 30 40 EGEB COc1cccnc1NC(=O)c1ccc(COc2ccccc2C#N)o1 58178309 DZIFTRKEHYNJJS-UHFFFAOYSA-N 349.346 3.386 30 40 EGEB O=[N+]([O-])c1cccc(Cl)c1/C=N/NC(=S)NCc1ccccc1 3148520 HUWGEYOZXGWERU-VCHYOVAHSA-N 348.815 3.246 30 40 EGEB CC(C)(C)NC(=O)c1ccc(-n2cccn2)c(C#Cc2cccnc2)c1 19083091 FIRGDOCOOPDPPY-UHFFFAOYSA-N 344.418 3.195 30 40 EGEB C=CCOc1ccc([C@H]2S[C@H](C)C(=O)Nc3[nH]nc(C)c32)cc1 6678664 PVXIVXAAEVZHPR-IAQYHMDHSA-N 329.425 3.446 30 40 EGEB C[C@@H](Sc1nc(C2CCCC2)n[nH]1)C(=O)Nc1cccc(C#N)c1 12103854 BBQZMVLSSJKNJJ-LLVKDONJSA-N 341.440 3.453 30 40 EGEB COc1cccc(C(=O)O/N=C2/C[C@@H](C)Oc3cc(OC)ccc32)c1 10001010 JWNJAJPGTPGWRR-AQNJYJFJSA-N 341.363 3.436 30 40 EGEB Cc1nn(CCC#N)c(C)c1[C@@H]1C=C[C@@H](NC(=O)c2cccs2)C1 8636087 MNPYJCNMJYIOEZ-HUUCEWRRSA-N 340.452 3.317 30 40 EGEB biogenic,in-vitro N#CC1(C(=O)NCc2nc(-c3ccncc3)cs2)CCCCC1 71890167 CVEADHJAJSDJNF-UHFFFAOYSA-N 326.425 3.295 30 40 EGEB CCOCCC/N=C(/NCc1cc(C)on1)N[C@H](C)c1ccccc1 72271844 UKNLEGFOOOGEKA-MRXNPFEDSA-N 344.459 3.206 30 40 EGEB Cc1ccc([C@@H](NS(=O)(=O)c2cccc(C#N)c2)C2CC2)cc1 10682761 QLISJYOTIPUKIS-GOSISDBHSA-N 326.421 3.296 30 40 EGEB C=CCN/C(S)=C(/C(=O)c1ccc(Cl)s1)[n+]1ccccc1 13101354 HVVNPFNMKZIMKS-UHFFFAOYSA-O 337.877 3.403 30 40 EGEB COc1ccc(S(=O)(=O)N/N=C(\C)c2ccc(Cl)s2)cc1 4651771 IWIHZXLGLSWTME-OQLLNIDSSA-N 344.845 3.113 30 40 EGEB COc1ccc2[nH]cc(CC(=O)N[C@@H](C#N)c3ccccc3OC)c2c1 68357946 AVOSMFGPCMBIMH-SFHVURJKSA-N 349.390 3.109 30 40 EGEB Cn1nc(C(C)(C)C)cc1C(=O)N[C@@](C)(C#N)CCc1ccccc1 96483324 PWNYPLBTZMTZQU-HXUWFJFHSA-N 338.455 3.362 30 40 EGEB N#CCCN(Cc1ccco1)C(=O)Nc1cccc(Cn2cccn2)c1 79105250 BREKRIKKKUDDGK-UHFFFAOYSA-N 349.394 3.472 30 40 EGEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCSCC4)[C@H]3C[C@H]12 61992885 ZCCNWNMIFSQHGL-FSNPWBFUSA-N 335.513 3.349 30 40 EGEB biogenic CC(=O)Nc1ccc2nc(NCc3cc(C#N)n(C)c3C)sc2c1 95992287 ABHLYSLYUZOQIG-UHFFFAOYSA-N 339.424 3.385 30 40 EGEB N#Cc1cn(Cc2nccn2C(F)F)c2ccc(Cl)cc2c1=O 89807118 UOXVCCUGRVWEPN-UHFFFAOYSA-N 334.713 3.166 30 40 EGEB N#CCCN(CC1CC1)C(=O)c1cc2c(nc3sccn32)s1 96404045 HZDMWWGBRMQKMW-UHFFFAOYSA-N 330.438 3.376 30 40 EGEB CC1=C2[C@@H]3O[C@@]34CC[C@H]3C(C)(C)CCC[C@]3(C)[C@@H]4[C@@H]3O[C@]23OC1=O 2061000268 SOVOCMGDFRGRKF-CALYWKMPSA-N 330.424 3.349 30 40 EGEB C=CCN1CCCC12CCN(C(=O)c1cc3ccccc3n1C)CC2 2055822710 KXWCWVZKTCXNNF-UHFFFAOYSA-N 337.467 3.435 30 40 EGEB C=C(C)CSc1nnc2c(=O)n(-c3ccc(C)c(C)c3)ccn12 2298098544 OPJJWHNUHYIPAK-UHFFFAOYSA-N 326.425 3.165 30 40 EGEB CCN(CC(=O)NCCc1ccccc1)[C@H](C)c1ccc(C#N)cc1 40135379 VIDMKRSIRTWTKU-QGZVFWFLSA-N 335.451 3.300 30 40 EGEB C#Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)cc1 4859348 YYJCJEOHBWPGOV-UHFFFAOYSA-N 340.810 3.410 30 40 EGEB C=CCn1c(C)nnc1SCC(=O)Nc1ccc(C)c(Cl)c1 4936533 SXSBEXYTVVSGQW-UHFFFAOYSA-N 336.848 3.465 30 40 EGEB C=CCN(CC=C)C(=O)c1ccccc1I 2807135 BTSPVIYAWZNHEZ-UHFFFAOYSA-N 327.165 3.105 30 40 EGEB Cn1cc([C@@H]2C[C@@H]2C(=O)N2CCCC[C@@H]2[C@@H](C#N)c2ccccc2)cn1 72297934 CKCPBWFRDVPSNB-LWYYNNOASA-N 348.450 3.212 30 40 EGEB CN(C)[C@H](CNC(=O)Nc1ccc(C#N)cc1)c1ccc(F)cc1 48051683 CSYIDFFFUOVRCL-QGZVFWFLSA-N 326.375 3.122 30 40 EGEB CC(=O)Nc1ccc(/C=N/n2c(-c3ccccc3)n[nH]c2=S)cc1 20932427 BOZIFIPLKVKJQC-WOJGMQOQSA-N 337.408 3.448 30 40 EGEB C=CCN(CC(F)(F)F)C(=O)c1ccc(NC(=O)NC2CC2)cc1 58294568 YQEDHEMTZYRUBA-UHFFFAOYSA-N 341.333 3.161 30 40 EGEB N#Cc1ccc(OCCCN2C(=O)c3ccccc3C2=O)c(Cl)c1 28141935 FENSCRQRQQLTLC-UHFFFAOYSA-N 340.766 3.277 30 40 EGEB N#Cc1cccc([C@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)c1 11036656 ZSXDOUIRZXTJBJ-APWZRJJASA-N 333.391 3.304 30 40 EGEB C[C@H](Oc1ccc2ccc(=O)oc2c1)C(=O)Nc1cccc(C#N)c1 4435084 DQKIWAXPVZEFHH-LBPRGKRZSA-N 334.331 3.071 30 40 EGEB Cc1ccc(-n2nc(C)c3c(-c4ccco4)c(C#N)c(=O)[nH]c32)cc1 9266785 LZJBWTKNJUWAOO-UHFFFAOYSA-N 330.347 3.462 30 40 EGEB C/C(=N\Nc1nc(C)cc(=O)[nH]1)c1cccc(OCc2ccccc2)c1 96297936 SUPDOWUMHNGYCJ-HZHRSRAPSA-N 348.406 3.493 30 40 EGEB COc1ccc(C)cc1CS[C@H](C(N)=O)c1ccc(C#N)cc1 95412702 HSXXOLGACQTNOG-KRWDZBQOSA-N 326.421 3.335 30 40 EGEB N#CCCN(C(=O)c1ccc2[nH]c(=S)oc2c1)C1CCOCC1 73380465 VMDJIWHDSFNULF-UHFFFAOYSA-N 331.397 3.025 30 40 EGEB Cc1cc(C)c2ncc(C#N)c(N3CC[C@@](O)(C(F)(F)F)C3)c2c1 75053995 ZKTKCBHNOANTKP-INIZCTEOSA-N 335.329 3.227 30 40 EGEB CC(C)N(C)Cc1cncc2c1CCN(Cc1cccc(C#N)c1)C2 96189466 DXSTWPTZQMJPOD-UHFFFAOYSA-N 334.467 3.352 30 40 EGEB N#Cc1ccc(OC2CCN(Cc3cnc4ccccn34)CC2)cc1 96468489 MTBYISXIMOEBHB-UHFFFAOYSA-N 332.407 3.249 30 40 EGEB CO[C@H]1CCN(c2ccc(NC(=O)CCc3ccc(C#N)cc3)cc2)C1 96122262 NSUKDVBKKGBJHY-FQEVSTJZSA-N 349.434 3.355 30 40 EGEB COc1ccc2c(c1)OC[C@@H](C(=O)[C@H](C#N)c1nc3ccccc3o1)C2 50206475 NCOVBCUKAOHIPU-ZFWWWQNUSA-N 348.358 3.264 30 40 EGEB C[C@H]1CCc2sc(NC(=O)c3ccc(C#N)cc3)c(C(N)=O)c2C1 4071942 MRJSREBUHWFHCU-JTQLQIEISA-N 339.420 3.096 30 40 EGEB Cc1ccc(-c2nc(Cn3nc(C)c(C)c(C#N)c3=O)co2)c(C)c1 32754552 WYCOLWHDXRTRNH-UHFFFAOYSA-N 334.379 3.052 30 40 EGEB N#Cc1ccc(C(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)cc1 58277415 TWCXEYRANRLXKH-AWEZNQCLSA-N 341.361 3.093 30 40 EGEB C=CCn1c(S[C@H](C)C(N)=O)nnc1-c1ccc(C(C)(C)C)cc1 3402432 HAGBQODZHQLOAM-GFCCVEGCSA-N 344.484 3.395 30 40 EGEB Cc1ccc(C)c(S(=O)(=O)N/N=C/c2c[nH]c3ccccc23)c1 3526978 DYIMKCMOKHTISC-YBFXNURJSA-N 327.409 3.097 30 40 EGEB Cc1ccc(/C=N/N=C2\NC(=O)[C@@H](Cc3ccc(C)cc3)S2)cc1 18209463 JSUBEKSQHNZZRZ-XNHPLOEXSA-N 337.448 3.468 30 40 EGEB CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccc(C)c(OC)c2)n1 67896187 JDAFXARNBPTVGR-GFCCVEGCSA-N 344.392 3.127 30 40 EGEB Cc1nn(C)c(C)c1[C@H](OC(=O)c1sccc1C#N)C(F)(F)F 89505662 VTVKIRDDEHPILF-LBPRGKRZSA-N 343.330 3.431 30 40 EGEB CCCC(=O)NC1=C(C(=O)OCC)C(=O)/C(=C/c2ccccc2)S1 409085267 OANAKJZXEYAKFU-QBFSEMIESA-N 345.420 3.034 30 40 EGEB CN(CCC#N)c1ccc(CN[C@@H]2CCN(Cc3ccccc3)C2)cc1 39736749 OMXDSJXHJATKBG-OAQYLSRUSA-N 348.494 3.401 30 40 EGEB CCCCCCCCCNC(=O)C(=O)NCc1ccccc1OC 408707801 QVKGZMRQKKJFDB-UHFFFAOYSA-N 334.460 3.178 30 40 EGEB N#CC1(C(=O)N2CCc3ncnc(-c4ccsc4)c3C2)CCCC1 1565556094 WUESQKPEDONXPK-UHFFFAOYSA-N 338.436 3.174 30 40 EGEB C=CCOc1ccc(C(=O)N2CCc3ncnc(C4CC4)c3CC2)cc1 2055729895 ZEQKZZYOAKIGOP-UHFFFAOYSA-N 349.434 3.160 30 40 EGEB N#Cc1ccccc1OCC(=O)Nc1cccc(Br)c1 3445409 ALEMJUFIEQPCFU-UHFFFAOYSA-N 331.169 3.338 30 40 EGEB C=CCSc1nnc(NC(=O)COc2cc(C)cc(C)c2)s1 7594542 LMHLGILPKCBWPW-UHFFFAOYSA-N 335.454 3.451 30 40 EGEB CNC(=O)[C@H](C#N)C(=O)c1ccc(Oc2ccc(Cl)cc2)c(F)c1 102700085 KCYZNLKZVYCYMH-CYBMUJFWSA-N 346.745 3.340 30 40 EGEB CC(C)[C@@](C)(C#N)NC(=O)CNc1ccccc1OC(F)(F)F 22811940 XJNDAQBTKGWOMW-CQSZACIVSA-N 329.322 3.052 30 40 EGEB O=[N+]([O-])c1ccc(N/N=C2\[C@@H]3[C@H]4C[C@@H]5[C@H]6[C@H](C[C@H]53)[C@@H]2[C@H]46)c([N+](=O)[O-])c1 103444412 KSEOYFBWVDHLNF-XLBCBIJLSA-N 340.339 3.049 30 40 EGEB Cc1ccc(C(=O)[C@@H](C#N)c2nnc(-c3ccccc3)n2C)cc1F 58168319 GCMQLEGGUREDFE-OAHLLOKOSA-N 334.354 3.420 30 40 EGEB CC(C)OC(=O)CC(=O)CSc1nc2c(cc1C#N)CCCCC2 2338117 KCAHKDBPSZBWQD-UHFFFAOYSA-N 346.452 3.225 30 40 EGEB COC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1cccs1)C2=O 5163329 RVXVIYMYLNQZND-XBDQXEDDSA-N 330.361 3.305 30 40 EGEB CCOC[C@@]1(C#N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1 218034423 OVXFXDWJOZMFPC-GBESFXJTSA-N 341.432 3.173 30 40 EGEB C#CCCCCCC(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 96001706 ZDBIDZPTGXJUFD-KRWDZBQOSA-N 328.412 3.326 30 40 EGEB Cc1cc(C)cc(Oc2cc(-n3nc(C)c(C#N)c3N)nc(C)n2)c1 19910311 SYFMOBSGIDQFDJ-UHFFFAOYSA-N 334.383 3.142 30 40 EGEB O=C(Nc1cccc(C#Cc2cccs2)c1)N1CCC[C@H](O)C1 84374415 GCYOROAFRKEGFO-INIZCTEOSA-N 326.421 3.137 30 40 EGEB COc1ccc(C)cc1CS[C@@H](C(N)=O)c1ccc(C#N)cc1 95412703 HSXXOLGACQTNOG-QGZVFWFLSA-N 326.421 3.335 30 40 EGEB CC(C)N1CC[C@H](NC(=O)C(C)(C)C#N)[C@@H]1c1ccc(F)c(F)c1 95995428 NUYNQKPYNSNZRU-HOTGVXAUSA-N 335.398 3.155 30 40 EGEB C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@@H](C)O[C@H](C)C1 95953615 VJXSRDSOMQVYET-KFWWJZLASA-N 347.484 3.129 30 40 EGEB COc1ccc(Cn2nc(Cc3ccc(F)cc3)c(C#N)c2N)cc1 225847926 WWSAZLUTDITIBQ-UHFFFAOYSA-N 336.370 3.124 30 40 EGEB N#Cc1ccc(CSc2ccccc2C(=O)N2CCOCC2)cc1 42629245 WGFXWGFCBNBDTG-UHFFFAOYSA-N 338.432 3.323 30 40 EGEB C=CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1 16138417 KYMBWKPPSZQYEM-KRWDZBQOSA-N 343.810 3.410 30 40 EGEB N#C/C(=N/Nc1ccc(Br)cc1)C(=N)N1CCCCC1 19818367 ZNPZRQKQRKOUDH-RUHDWJSOSA-N 334.221 3.204 30 40 EGEB CC1=CC(=O)C=C(C)C1=NOC(=O)c1ccc(Br)cc1 3106715 HUTDEDPITMWQPJ-UHFFFAOYSA-N 334.169 3.437 30 40 EGEB Cc1nccn1-c1ccnc(C(=O)O[C@H](C)c2cccc(C#N)c2)c1 72289721 RUEMETASFWEJPQ-CYBMUJFWSA-N 332.363 3.365 30 40 EGEB C/C(=N\N=c1\sc2ccccc2n1C)c1ccc2c(c1)OCO2 34854030 UILSRIKAULPSJG-HIIRIOHQSA-N 325.393 3.293 30 40 EGEB N#Cc1ccc(OCC(=O)N[C@@H](c2ccccc2)c2nccs2)cc1 65513281 KGESYIVHXMLBDT-SFHVURJKSA-N 349.415 3.299 30 40 EGEB CS/C(=N\C#N)SCSc1sc(C#N)c(N)c1C#N 15441952 PWXMGRPJOJEQOY-XNTDXEJSSA-N 325.469 3.057 30 40 EGEB C[C@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2ccccc2Cl)C1=O 7653946 OVNKAFHGVSSDBM-GOSISDBHSA-N 339.782 3.179 30 40 EGEB COc1cc(/C=C/C(=O)Nc2ccc(C#N)cn2)ccc1OC(F)F 69321523 NXYQQPOWALDUQG-QPJJXVBHSA-N 345.305 3.215 30 40 EGEB C#CCOc1cccc([C@H](C)NC(=O)Cc2csc(CC)n2)c1 69813815 MYKRBGKDGJPFJH-ZDUSSCGKSA-N 328.437 3.137 30 40 EGEB COC(=O)c1cccc(/N=C/c2ccc(O[C@@H](C)C(=O)O)cc2)c1C 39557395 SVVINGPWLOSFHY-HSWQHBDASA-N 341.363 3.384 30 40 EGEB N#Cc1cccc(N2Cc3cc(Br)ccc3OCC2=O)c1 75165450 LOLQRQZPIFKQBN-UHFFFAOYSA-N 343.180 3.246 30 40 EGEB C[C@H](OC[C@@H]1CCCO1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 72499557 IXBWKEBYTBHDMF-GWCFXTLKSA-N 342.317 3.100 30 40 EGEB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](C=O)[C@@H]2c2cccc(Cl)c2)cc1 218632946 KDSOTXVWVURBCP-IXDOHACOSA-N 334.824 3.403 30 40 EGEB C=CCN1C(=O)CCC[C@@]12CCCN(C(=O)c1ccc(C)cc1)C2 96077088 KUGNMEMILRCASH-FQEVSTJZSA-N 326.440 3.168 30 40 EGEB CN(c1ncc(Cl)cn1)C1CCN(Cc2cccc(C#N)c2)CC1 1889111371 FBVYDLMLDQWYHZ-UHFFFAOYSA-N 341.846 3.102 30 40 EGEB Cc1csc([C@H](C#N)C(=O)c2cc(N3CCCC3=O)ccc2F)n1 76089969 JBNPAMJSHYDADL-CYBMUJFWSA-N 343.383 3.208 30 40 EGEB CC(C)N1CC[C@@H](NC(=O)C(C)(C)C#N)[C@H]1c1ccc(F)c(F)c1 108381996 NUYNQKPYNSNZRU-HZPDHXFCSA-N 335.398 3.155 30 40 EGEB CCSc1cc(/C(O)=N/c2nc(-c3ccccn3)n[nH]2)ccn1 58195295 QVUXDHSHBRDNKI-UHFFFAOYSA-N 326.385 3.010 30 40 EGEB C=CCOc1ccc(Br)cc1/C=C1/SC(=O)NC1=O 2169561 GOFFEXNGJFTKIP-YRNVUSSQSA-N 340.198 3.338 30 40 EGEB Cc1ccc(NC(=O)NC[C@@H]2CCCN(c3ncccc3C#N)C2)cc1 58341398 CJIDWHQQUSAWSF-INIZCTEOSA-N 349.438 3.300 30 40 EGEB C=CCOc1ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 223647531 JJTCYEGBQOERFI-UHFFFAOYSA-N 346.408 3.011 30 40 EGEB COc1ccccc1COc1nn(Cc2ccccc2C)c(N)c1C#N 225844652 NUWYTQFWLQKXSF-UHFFFAOYSA-N 348.406 3.281 30 40 EGEB N#Cc1c(Cl)nsc1NCc1ccc(CN2CCCC2=O)cc1 44978889 MVWJQGPIPZWNTI-UHFFFAOYSA-N 346.843 3.403 30 40 EGEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCCC[C@@H]4CO)[C@H]3C[C@@H]12 12662148 WNVZVCLBASTOLF-HDZJJSNZSA-N 347.499 3.147 30 40 EGEB C[C@@H](NS(=O)(=O)CC1(C#N)CC1)c1cc2cc(Cl)ccc2o1 165386625 TXBQXWIVRRIIFZ-SNVBAGLBSA-N 338.816 3.370 30 40 EGEB N#CC1(NC(=O)CNc2ccc(SC(F)F)cc2)CCCC1 40460984 DQPKLJIVYDYKAY-UHFFFAOYSA-N 325.384 3.366 30 40 EGEB CC(=O)N1c2ccccc2C[C@H]1C(=O)Nc1sc(C)c(C)c1C#N 69533259 CGNCZTFNONQEOA-INIZCTEOSA-N 339.420 3.153 30 40 EGEB Cc1csc([C@@H](C#N)C(=O)C(C)(C)c2ccc3c(c2)OCCO3)n1 69709737 ITPAVORADSTHAK-ZDUSSCGKSA-N 342.420 3.377 30 40 EGEB N#Cc1c(COC(=O)c2ccc3c(c2)OCCCO3)cn2ccccc12 58063728 UUGLFBLKFLZNIB-UHFFFAOYSA-N 348.358 3.329 30 40 EGEB Cc1cc(NC(=O)CSc2ccc(F)c(F)c2)n(CCC#N)n1 58226636 KSERAOHJLSXDGX-UHFFFAOYSA-N 336.367 3.114 30 40 EGEB CCN(CC)CCCn1c(N)c(C#N)c2c(c1=S)COC(C)(C)C2 9418338 AAMPBGMXFCIBQN-UHFFFAOYSA-N 348.516 3.255 30 40 EGEB Cc1c(NCc2ccccc2Cn2cncn2)cc(C#N)cc1[N+](=O)[O-] 69349068 UPQPUHVKUIALLI-UHFFFAOYSA-N 348.366 3.027 30 40 EGEB CCn1c(CO/N=C(/N)c2ccc(F)c(F)c2)nc2c(F)cccc21 97166131 OQZSNDRZHSRGEM-UHFFFAOYSA-N 348.328 3.311 30 40 EGEB C[C@H](NC(=O)N[C@@H]1CCO[C@@H]1c1ccccc1)c1ccc(C#N)cc1 75092103 QOFZSBVWYJZGPC-GDIGMMSISA-N 335.407 3.449 30 40 EGEB CCOc1cc2c(cc1/C=N/c1cccc(C(=O)OC)c1)OCO2 409101352 XWVZFZZFOLZQOY-VXLYETTFSA-N 327.336 3.351 30 40 EGEB N#CC1=NN(c2ccc(Cl)cc2Cl)[C@H]2CCCCCN2C1=O 33436181 UPNJAXFDUAVGLY-AWEZNQCLSA-N 337.210 3.422 30 40 EGEB Cc1ccc(C(=O)/C=C/N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)cc1 18021030 QNSHGNWWBTUHJO-GNISGLHKSA-N 348.402 3.458 30 40 EGEB CC(C)(C)OC(=O)N1C[C@@H](B2OC(C)(C)C(C)(C)O2)C(F)(F)C1 953089871 OOPXFQKRTAKCLW-SNVBAGLBSA-N 333.184 3.335 30 40 EGEB Cc1ccc(S(C)(=O)=O)cc1NCCCOc1ccc(C#N)cc1 55830511 JJFGJFCGCJGJMQ-UHFFFAOYSA-N 344.436 3.151 30 40 EGEB C[C@H](c1ccc(-n2cncn2)cc1)N(C)Cc1ccc(C#N)cc1F 25435257 MIKACPDVRIBQOX-CQSZACIVSA-N 335.386 3.471 30 40 EGEB COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(C)Nc3ncnn32)cc1 9306637 ULYANBKRBSOBIU-GOSISDBHSA-N 346.390 3.459 30 40 EGEB Cc1cccc(/N=C2/NC(=O)[C@H](Cc3cccc([N+](=O)[O-])c3)S2)c1 5784580 JQEYDMDMXFJSMF-HNNXBMFYSA-N 341.392 3.365 30 40 EGEB C[C@H](CN(C)C)CN1c2ccccc2[S@](=O)c2ccc(C#N)cc21 65739494 KCPHNCFJFKSBMD-JBEBIEQOSA-N 339.464 3.374 30 40 EGEB in-vitro C=CCn1c(NC(=O)COc2ccc(OC)cc2)nc2ccccc21 4941646 FDNMPISBBVXBFE-UHFFFAOYSA-N 337.379 3.248 30 40 EGEB C[C@H](NCC(=O)Nc1cccc(C#N)c1)c1ccc(-n2cccn2)cc1 96492176 QYJSRJLSRLSYLP-HNNXBMFYSA-N 345.406 3.033 30 40 EGEB N#Cc1cnc(N[C@H](CN2CCCC2=O)c2ccccc2)c(Cl)c1 78333724 HWPDVIJPVCVLIU-MRXNPFEDSA-N 340.814 3.382 30 40 EGEB N#Cc1ccc(CNC(=O)c2ccccc2NCc2cccnc2)cc1 81730843 OIJKTAGVKYPJMF-UHFFFAOYSA-N 342.402 3.495 30 40 EGEB CC(C)(C)CS(=O)(=O)/N=C(\O)[C@@H]1C[C@@H]1c1cc(F)ccc1F 96442094 WHBSLVNZGRXAHZ-ZYHUDNBSSA-N 331.384 3.401 30 40 EGEB CN(C)CC(CN(C)C)C(=O)/C=C/c1ccc(Cl)cc1Cl 1590145 JVWIODXMDBGIHQ-SOFGYWHQSA-N 329.271 3.315 30 40 EGEB CCOC(=O)c1sc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)c(C#N)c1C 4155384 IXHJDQFQQLWVEX-QJPTWQEYSA-N 332.425 3.480 30 40 EGEB N#Cc1ccc(NS(=O)(=O)c2ccc(F)cc2Cl)c(F)c1 97020161 KOSUBUCWBIMWPK-UHFFFAOYSA-N 328.727 3.291 30 40 EGEB Cc1cc(C(=O)Nc2sc(C)c(C)c2C#N)c2c(C)nn(C)c2n1 24361670 HDAGZIADUWOUSQ-UHFFFAOYSA-N 339.424 3.387 30 40 EGEB N#Cc1cccnc1N1CCO[C@H](c2cccc(Br)c2)C1 58201610 TYXUVIURYZDNNW-HNNXBMFYSA-N 344.212 3.294 30 40 EGEB COc1cc(N)c(Cl)cc1C(=O)OCc1cc(C#N)ccc1F 11221412 GWYYPVHUVYOEMN-UHFFFAOYSA-N 334.734 3.299 30 40 EGEB N#Cc1cccc(NC(=O)[C@H]2CCCN2c2ncnc3ccccc23)c1 11247844 BTYIMHAQRBKMST-GOSISDBHSA-N 343.390 3.109 30 40 EGEB CN(CC(=O)Nc1ccc(F)cc1)Cc1cn2ccccc2c1C#N 12818194 TYPDCIHMXQHCGV-UHFFFAOYSA-N 336.370 3.021 30 40 EGEB COc1ccc(-c2noc(COc3ccccc3C#N)n2)cc1OC 9377682 SQMUQGXTEWJAIB-UHFFFAOYSA-N 337.335 3.204 30 40 EGEB COc1cc2c(cc1OC)CN(Cc1cn3ccccc3c1C#N)CC2 73342124 FMTKTAWNOWYLBF-UHFFFAOYSA-N 347.418 3.386 30 40 EGEB N#C[C@]1(NC(=O)c2cccc(Oc3ccncc3)c2)CCSC1 75137678 KSJZOUYBFYLKFA-QGZVFWFLSA-N 325.393 3.003 30 40 EGEB Cc1cc(C)c(C#N)c(N2CCCN(C(=O)CC3CCCC3)CC2)n1 78663073 FECSLJNGYMYBFK-UHFFFAOYSA-N 340.471 3.189 30 40 EGEB C=CCNC(=O)c1ccc(OC)c(COc2ccc(OC)cc2)c1 224261961 TZMILQSMKPSGNC-UHFFFAOYSA-N 327.380 3.199 30 40 EGEB C=C(C)C[C@H](C)C(=O)NC1CCN(Cc2cccc(OC)c2)CC1 584908657 IJHYZCDRUSLKIL-INIZCTEOSA-N 330.472 3.378 30 40 EGEB COc1cccc(C=Nn2c(S)nnc2C2CCCCC2)c1O 252429475 SVWDVWLJYCTONR-UHFFFAOYSA-N 332.429 3.211 30 40 EGEB Cc1ccc(C(=O)N2CCC[C@@H](Oc3cc(C#N)ccn3)C2)cc1C 575614338 ZNSAKWYMQQPTIV-GOSISDBHSA-N 335.407 3.254 30 40 EGEB Cc1ccc(OCC(=O)Nc2ncccc2OCCCC#N)cc1 69744273 UBILGZGMDPVABQ-UHFFFAOYSA-N 325.368 3.090 30 40 EGEB CC(=O)Nc1cccc(/C(C)=N/NC(=S)Nc2ccccc2)c1 15226254 JWUSZAJLLMZJFK-UDWIEESQSA-N 326.425 3.356 30 40 EGEB N#Cc1c(NC(=O)COc2ccccc2[N+](=O)[O-])sc2c1CCC2 92264 PURHFQAJMLZTHF-UHFFFAOYSA-N 343.364 3.034 30 40 EGEB COc1cccc(OCC(=O)Nc2nc(C)c(SCC#N)s2)c1 53650880 CLIFHVUAFCZZOK-UHFFFAOYSA-N 349.437 3.093 30 40 EGEB N#Cc1ccc(OS(=O)(=O)c2ccccc2OC(F)(F)F)cc1 23390199 QXXAFAOXHHYNRL-UHFFFAOYSA-N 343.282 3.225 30 40 EGEB C[C@H]1CN(Cc2ccccc2CNCc2ccc(C#N)cc2)C[C@@H](C)O1 48816786 BFUNZJBQBJZNFQ-HDICACEKSA-N 349.478 3.457 30 40 EGEB N#Cc1c(OCC(=O)N2CCCC2)nc(-c2ccccc2)c2c1CCC2 13693369 UEPLCSFANDHXGV-UHFFFAOYSA-N 347.418 3.110 30 40 EGEB C=CCn1c(SCc2cn3ccccc3n2)nnc1-c1ccncc1 6105729 GIPWPQJYMPVTMF-UHFFFAOYSA-N 348.435 3.466 30 40 EGEB C=CCNC(=O)COc1ccc(NC(=O)c2ccccc2Cl)cc1 6553105 KUEKTWPPSPDAKU-UHFFFAOYSA-N 344.798 3.273 30 40 EGEB COc1cc(OC)c(OC)cc1/C=N/N1C(=O)C[C@H]1c1ccccc1 71281516 DHVWVZSFPIBYAN-SLDJAQPHSA-N 340.379 3.020 30 40 EGEB Cc1ccc(-c2ccc(/C(O)=N/S(=O)(=O)CCCC#N)s2)o1 97081491 HEZOPVLWIPEWGH-UHFFFAOYSA-N 338.410 3.255 30 40 EGEB C=CC[C@@H](NC(=O)c1cc(OC)c(OC)c(OC)c1)c1ccncc1 72285366 CWMKKBSMNNSYGT-OAHLLOKOSA-N 342.395 3.155 30 40 EGEB Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1CN[C@@H](C)c1ccc(C#N)cc1 78890491 ABZULFQDNCVWBW-YHJVDBJQSA-N 338.455 3.337 30 40 EGEB Cn1nccc1/C=C/C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 95407404 WHVFUXFFGWJFRF-DHZHZOJOSA-N 344.436 3.033 30 40 EGEB C=CCOc1cccc(/C=C2\C(=O)N(CC=C)C(C)=C2C(=O)OC)c1 408770048 SBBLFTPISGBJAV-LGMDPLHJSA-N 339.391 3.110 30 40 EGEB N#Cc1ccccc1OCC(=O)Nc1cccc(Oc2ncccn2)c1 32027639 SUOGERHYSKACQM-UHFFFAOYSA-N 346.346 3.158 30 40 EGEB COc1ccc(/C=N/n2cnnc2SCc2ccccc2)cc1O 147637 CNNNZEUWJKBHIX-VXLYETTFSA-N 340.408 3.167 30 40 EGEB CCN(CC)CCNc1nc(SC)nc(-c2ccccc2)c1C#N 31773600 IISAPUMVUGZKAA-UHFFFAOYSA-N 341.484 3.491 30 40 EGEB N#Cc1c(Cl)nsc1N1CCN(CCc2ccccc2)CC1 51504781 JOAUQPCXPXCJIC-UHFFFAOYSA-N 332.860 3.033 30 40 EGEB N#Cc1ccc(NC(=O)C2CCN(C(=O)c3ccsc3)CC2)cc1 32772252 SAFFEEXJSGKWHY-UHFFFAOYSA-N 339.420 3.111 30 40 EGEB CC(C)(C)C1CCC(=NNc2ncc(F)c(N3CCOCC3)n2)CC1 6298145 ZSGWIWLZCKYVCH-UHFFFAOYSA-N 349.454 3.457 30 40 EGEB Cn1nc(C(=O)Nc2sc3c(c2C#N)CCC3)cc1C(F)(F)F 2777701 HLPJDJBMRDZZET-UHFFFAOYSA-N 340.330 3.113 30 40 EGEB CSCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 47895754 PTXSDTUFQZSWTD-UHFFFAOYSA-N 331.416 3.466 30 40 EGEB Cc1c(/C=C2\Cc3ccccc3C2=O)c(=O)n(-c2ccccc2)n1C 28003307 FCTSRQSBJBSFQW-DTQAZKPQSA-N 330.387 3.307 30 40 EGEB COc1cccc([C@@H]2CCCN2CC(=O)Nc2cccc(C#N)c2)c1 8748299 VOFGGCLPBGHPGU-IBGZPJMESA-N 335.407 3.342 30 40 EGEB CCCC/N=C(/NNc1ccc(Br)cc1)C(=O)OCC 6756003 MZEQAQQHAWMBHK-UHFFFAOYSA-N 342.237 3.127 30 40 EGEB CC(C)c1nc([C@H]2CCCN(C(=O)C3(C#N)CCCCC3)C2)no1 72232087 MWANYAXAEBLPMF-AWEZNQCLSA-N 330.432 3.373 30 40 EGEB C#CCOc1ccc(NC(=O)N[C@@H](CCO)c2cccs2)cc1 96420208 ICDPWMDILLXXOQ-HNNXBMFYSA-N 330.409 3.005 30 40 EGEB COc1ccc(C(=O)/C=C/Nc2ccc(N3CCOCC3)cc2)cc1 33654096 KRYDXMCNKIHKNA-ZHACJKMWSA-N 338.407 3.340 30 40 EGEB COc1cc(F)c([C@@H](C)NC(=O)c2cccc(C#N)c2)cc1OC 74611202 FANDHKDUZBPXKD-LLVKDONJSA-N 328.343 3.206 30 40 EGEB CN(CCC#N)C(=O)CNc1ccc(Oc2ccc(Cl)cn2)cc1 88534122 COTCALFUYJMOSD-UHFFFAOYSA-N 344.802 3.311 30 40 EGEB Cc1cccc(Cc2c(N)cc(C#N)n2CC(=O)Nc2ccccc2)c1 225859807 PEVZPPJKRAPPST-UHFFFAOYSA-N 344.418 3.480 30 40 EGEB COc1cc2ccccc2cc1/C=N/NS(=O)(=O)c1ccccc1 96191674 PRJXSSXDYMWLBF-CPNJWEJPSA-N 340.404 3.161 30 40 EGEB CCCCCCCCc1ccc2c(c1)CC[C@H](C(N)(CO)CO)C2 49780570 FCWUGFDEMJLPMH-FQEVSTJZSA-N 333.516 3.377 30 40 EGEB COc1cc(/C=C/C(=O)c2cccnc2)cc(Br)c1O 5128282 KZLCTAPXHWCINQ-SNAWJCMRSA-N 334.169 3.454 30 40 EGEB CC/N=C1\S[C@H](C(=O)Nc2ccc(Cl)cc2)CC(=O)N1CC 12628408 OCRFLCKUTVWREO-JTFSYWPOSA-N 339.848 3.008 30 40 EGEB CCNC(=S)N/N=C/c1ccc(OC(C)C)c(Br)c1 169884941 BHHWABXEKTWGCW-LZYBPNLTSA-N 344.278 3.054 30 40 EGEB NC(=NO)c1ccc(/C=C/c2cc(O)c(O)cc2Br)cc1 1772650671 JDEDYOAMPIVKCF-ZZXKWVIFSA-N 349.184 3.125 30 40 EGEB CO[C@@H]1CCN(C(=O)C2(C#N)CCCC2)C[C@H]1Cc1ccccc1 1565542820 VANBTVJRTXZMLY-QZTJIDSGSA-N 326.440 3.177 30 40 EGEB CO/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(OC)c1 3112007 NPMCVFRRTRDHRA-CXUHLZMHSA-N 347.283 3.284 30 40 EGEB CCN(C(=O)CSc1nc(C)nc(C)c1C#N)C1=CCCCC1 26125208 QEZIOUYHXFUWIH-UHFFFAOYSA-N 330.457 3.364 30 40 EGEB N#Cc1ccc(S(=O)(=O)N[C@H]2CCc3cc(Cl)ccc32)cc1 57021773 JMPRJJBPZQNHKD-INIZCTEOSA-N 332.812 3.177 30 40 EGEB C[C@@H](c1nnc(SCCCC#N)n1-c1ccc(F)cc1)N(C)C 44865580 HLDAHGIILBYJEQ-LBPRGKRZSA-N 333.436 3.425 30 40 EGEB O=C(Nc1ccc([N+](=O)[O-])cc1)C(F)(F)C(F)(F)C(F)(F)F 4016752 HQOLLMKLYTYSHA-UHFFFAOYSA-N 334.147 3.366 30 40 EGEB COc1cc(C#N)ccc1O[C@H](C(=O)N1CCCC1)c1ccccc1 5505909 WPEDJEPXACCXOM-IBGZPJMESA-N 336.391 3.309 30 40 EGEB COc1ccc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc1O 4704678 HCEDMPYYAUNMQO-OQLLNIDSSA-N 344.367 3.432 30 40 EGEB CC(C)Oc1ccc(/C=N/CC[C@]2(O)C[C@@H](C)N(C)C[C@H]2C)cc1 4815139 CLJGDQRPOPPOBX-XOTUFCPGSA-N 332.488 3.374 30 40 EGEB Cc1nc([C@@H]2CCCN(C(=O)c3ccc(C#N)cn3)C2)sc1C 72297458 KNTJLOKGHYZRDB-CQSZACIVSA-N 326.425 3.046 30 40 EGEB C[C@H](CC1CCCC1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 95939183 MUZKANIISIPJEJ-VNQPRFMTSA-N 349.475 3.078 30 40 EGEB Cc1cccc(-n2cccc2C=Nn2c(O)nc3ccccc3c2=O)c1 409352511 WHGWSWUWQXHWQI-UHFFFAOYSA-N 344.374 3.083 30 40 EGEB CCCOc1ccc(NC(=O)C(C)(C)Br)c(C#N)c1 225786850 SJVRTULZWFRQSE-UHFFFAOYSA-N 325.206 3.459 30 40 EGEB N#Cc1nn(-c2cccc(Cl)c2)nc1N1CCc2ccccc2C1 256048987 XNLYPNJUGPMIJG-UHFFFAOYSA-N 335.798 3.355 30 40 EGEB COc1ccccc1CN1CCC[C@@H](COc2cc(C#N)ccn2)C1 1776009298 ZXLCMKXUYJGQRJ-QGZVFWFLSA-N 337.423 3.253 30 40 EGEB COCc1c(C#N)c(NCCc2ccc(F)cc2)nc(C)c1[N+](=O)[O-] 20792427 MAENLDDJCZCXIH-UHFFFAOYSA-N 344.346 3.110 30 40 EGEB C=CCN(CC=C)C(=S)Nc1nc2ccc(C(=O)OC)cc2s1 6228916 WQKNLTNAQNHBRF-UHFFFAOYSA-N 347.465 3.454 30 40 EGEB C#CCOc1ccc(Cl)cc1/C=N/NCc1ccccc1OC 20762740 ZRAUYYLOJYIRGP-FYJGNVAPSA-N 328.799 3.484 30 40 EGEB Cc1nn(Cc2csc(C3CCCCC3)n2)c(=O)c(C#N)c1C 58202839 DEPMCMNTHYDJSQ-UHFFFAOYSA-N 328.441 3.284 30 40 EGEB O/C(=N\c1nc(-c2ccccn2)n[nH]1)[C@H]1Cc2cc(Cl)ccc2O1 44978202 QVGDUIONQGKFKZ-CYBMUJFWSA-N 341.758 3.112 30 40 EGEB C=CCSc1ccccc1NC(=O)c1ccc(CNC(N)=O)cc1 12782720 JGYSKEIVHZEISI-UHFFFAOYSA-N 341.436 3.385 30 40 EGEB N#C[C@@H](c1ccccc1)N1CCN(C(=O)/C=C/c2ccsc2)CC1 12819249 XPHGFRQWEIHJJI-DKFQHHCZSA-N 337.448 3.170 30 40 EGEB N#C[C@@H](NC(=O)c1ccc2nncn2c1)c1cccc(Cl)c1Cl 66394537 NFNMLHVYKVTLCQ-GFCCVEGCSA-N 346.177 3.031 30 40 EGEB C=CCOC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12 4955029 WMZDOXKGGQZFCY-UHFFFAOYSA-N 348.362 3.151 30 40 EGEB COC(=O)CN(CC#N)C(=O)c1cc(-c2ccc(F)cc2)c(C)s1 96461579 AECLPPUHAIWPIK-UHFFFAOYSA-N 346.383 3.001 30 40 EGEB O=S(=O)(/N=C(\O)Cc1c[nH]c2ccccc12)c1cncc(Cl)c1 95440730 HUCVYAVICQZBJB-UHFFFAOYSA-N 349.799 3.104 30 40 EGEB N#CCc1ccc(NC(=O)COc2cc([N+](=O)[O-])ccc2Cl)cc1 75092225 SLAIAMYBFRLYCY-UHFFFAOYSA-N 345.742 3.332 30 40 EGEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCC[C@@H]4COC)[C@H]3C[C@@H]12 35363911 LYZJRMREVMQKQK-HDZJJSNZSA-N 347.499 3.411 30 40 EGEB Cc1c(NCc2cc(C#N)ccc2F)cccc1N1C(=O)CCC1=O 96453472 KCIXHETYLSSMPW-UHFFFAOYSA-N 337.354 3.271 30 40 EGEB Cc1nc(CN2CCN(c3cc(C#N)nc4ccccc34)CC2)cs1 96426888 MRPSFDBUPBESQM-UHFFFAOYSA-N 349.463 3.194 30 40 EGEB C=CCOC[C@]12CCCO[C@@H]1CCN(C(=O)c1cc(C)oc1C)C2 96039658 PWQRROZWVPLXBA-IEBWSBKVSA-N 333.428 3.110 30 40 EGEB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NC1(C#N)CCSCC1 535950722 ZJKLZNPDAPYJOC-OAGGEKHMSA-N 338.517 3.369 30 40 EGEB CC/C(=N\Nc1ncccc1Cl)c1ccc2c(c1)CC(=O)N2C 98055026 VVLGURKNCBESPW-XSFVSMFZSA-N 328.803 3.480 30 40 EGEB Cc1c(Cl)ccc2c1NC(=O)/C2=N\Nc1ccccc1[N+](=O)[O-] 16916701 XMRUVYSVBKNWIG-UHFFFAOYSA-N 330.731 3.325 30 40 EGEB CC(=O)N1C(=O)/C(=C\C(=O)c2ccc(Cl)cc2)c2ccccc21 16958897 ITDAWHHKMOCDRG-GDNBJRDFSA-N 325.751 3.499 30 40 EGEB Cc1ccccc1N1C(=O)[C@H](CC(=O)O)S/C1=N\C1CCCC1 3601325 LEJNKBPIMVOEKT-DNZUHHBVSA-N 332.425 3.217 30 40 EGEB CCOC(=O)c1sc(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)c(C#N)c1C 102065246 IXHJDQFQQLWVEX-SDDRHHMPSA-N 332.425 3.480 30 40 EGEB CCOC(=O)[C@H](C#N)c1c(F)c(F)c(C(F)(F)F)c(F)c1F 1723331 BEHZAAUZNUYAIK-SCSAIBSYSA-N 329.171 3.432 30 40 EGEB CCn1c(C2CCN(c3cccc(F)c3C#N)CC2)n[nH]c1=S 69696396 OSQZDNZZACQSJP-UHFFFAOYSA-N 331.420 3.355 30 40 EGEB CCN(C(=O)c1ccc(C#N)cc1)[C@H](C)C(=O)Nc1ccc(C)cc1 8156761 KJETXVAAFSTVHQ-OAHLLOKOSA-N 335.407 3.356 30 40 EGEB CCOc1ccc(C#N)cc1N[C@H](C(=O)NC1CC1)c1ccccc1 58166434 HUFPNTGXELRXHU-IBGZPJMESA-N 335.407 3.389 30 40 EGEB Cc1noc(C(C)C)c1/C(O)=N/S(=O)(=O)c1ccc(Cl)cc1 48409829 ZJWLQJWEUHBCRL-UHFFFAOYSA-N 342.804 3.453 30 40 EGEB C[C@@H](c1ccc(C#N)cc1)N1CCO[C@H](c2nc(C(C)(C)C)n[nH]2)C1 76049995 LJWDFRSMRBMWJE-BBRMVZONSA-N 339.443 3.108 30 40 EGEB CC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 18211507 PSBKHHYXUCSULZ-MRXNPFEDSA-N 341.323 3.072 30 40 EGEB CNC(=O)c1cnc(/C=C/c2cccc(OCCCC#N)c2)s1 65589778 YMACIMKMXNONDH-BQYQJAHWSA-N 327.409 3.356 30 40 EGEB Cc1cccc(C)c1-n1nnnc1SCC(=O)c1ccc(C#N)cc1 14119820 XMBXQDGTMYPHQT-UHFFFAOYSA-N 349.419 3.126 30 40 EGEB C#CCN(Cc1cccnc1)C(=O)N[C@@H](CC)c1ncc(C)s1 76018638 GFLOQSHEPJIEBI-HNNXBMFYSA-N 328.441 3.143 30 40 EGEB N#Cc1ccccc1CSCCNC(=O)c1n[nH]c2ccccc12 7140912 ICTOLHMLDARKKJ-UHFFFAOYSA-N 336.420 3.098 30 40 EGEB C[C@H]1C[C@@H]1/C(O)=N/S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 71883899 OVKUIJLNPORBGS-XPUUQOCRSA-N 325.283 3.146 30 40 EGEB COc1ccc(F)cc1CN1CC[C@@H](CNc2ncccc2C#N)C1 65478012 UIDXCAZPNZSWLX-AWEZNQCLSA-N 340.402 3.035 30 40 EGEB N/C(=N/OCc1cc(F)ccc1F)c1ccc(Br)o1 95963273 YCMOYZRHELOIQL-UHFFFAOYSA-N 331.116 3.157 30 40 EGEB CC(C)CCNC(=O)CSc1nc2ccccc2n1CCC#N 32957483 SBBGGRMPDSTEOL-UHFFFAOYSA-N 330.457 3.204 30 40 EGEB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(F)c3)C2(C#N)C#N)cc1 218370617 QXDFQTHLGIDIAJ-IAGOWNOFSA-N 340.379 3.107 30 40 EGEB N#Cc1c(OCc2ccc(F)cc2)nn(Cc2ccccc2F)c1N 225841378 RAELFVGFXJFLAK-UHFFFAOYSA-N 340.333 3.242 30 40 EGEB COc1ccc(NC(=O)[C@H]2CCCN2Cc2ccccc2C#N)cc1 48365825 QMYKRQZWYHJZKU-LJQANCHMSA-N 335.407 3.170 30 40 EGEB C#CCOc1ccc(N(C)C(=O)c2ccc(F)cc2[N+](=O)[O-])cc1 95965119 ALIKBJGVDMFWEI-UHFFFAOYSA-N 328.299 3.023 30 40 EGEB C=CCNc1ccccc1C(=O)OCC(=O)Nc1ccc(OC)cc1 5335332 OJRYTPBVEXWWRN-UHFFFAOYSA-N 340.379 3.089 30 40 EGEB C[C@@H](CC#N)NC(=O)Nc1cc(Br)ccc1-n1cccn1 160023058 RFDOOVVAOUYMDH-JTQLQIEISA-N 348.204 3.058 30 40 EGEB O=C1N/C(=N/c2ccc(F)cc2)S/C1=C\c1ccc(C(=O)O)cc1 8238606 VYJSAYJWGKRSIG-ZROIWOOFSA-N 342.351 3.416 30 40 EGEB CC1(C)OB(c2ccc([C@@H](O)c3cccc(F)c3)cc2)OC1(C)C 2237365280 WEZKGOQYUUGAIU-QGZVFWFLSA-N 328.192 3.207 30 40 EGEB CC(C)/N=C1\S/C(=C/c2ccc(C(=O)O)cc2)C(=O)N1C(C)C 4746594 NMSDNSJCDHWQIK-QPYPEQPVSA-N 332.425 3.474 30 40 EGEB C[C@H](Oc1cc(F)ccc1[N+](=O)[O-])C(=O)Nc1cccc(C#N)c1 4975871 MYZOICWUEQEHFB-JTQLQIEISA-N 329.287 3.012 30 40 EGEB CCOc1cc(C#N)ccc1OCC(=O)N1CC[C@@H]2CCCC[C@@H]2C1 8945015 VEAWBNMLSUWCAM-DLBZAZTESA-N 342.439 3.374 30 40 EGEB CCOC(=O)C1(c2ccccc2)CCN(C[C@@H](C#N)CCC#N)CC1 95399130 RYAKPSOBZHKTDE-QGZVFWFLSA-N 339.439 3.027 30 40 EGEB CCOc1ccc(S(=O)(=O)N[C@@H](C#N)C(C)(C)C)c2ccccc12 79104459 KQRPFXFVSGHQSZ-KRWDZBQOSA-N 346.452 3.455 30 40 EGEB C=CCN(c1cccc(OCC)c1)S(=O)(=O)c1ccc(OC)cc1 224868770 YHUJQCWMSOMOFJ-UHFFFAOYSA-N 347.436 3.475 30 40 EGEB C=CCOc1ccc(C(=O)NCCOc2cccc(OC)c2)cc1 45455265 GDCYUINZXFJPSY-UHFFFAOYSA-N 327.380 3.069 30 40 EGEB C/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 97980693 QLKRMOOBIISESL-DHDCSXOGSA-N 345.271 3.247 30 40 EGEB CCCCS[C@H](C)C(=O)Nc1c(C)c(C#N)nn1-c1cccnc1 585124802 SKGIUTAHPAJOSG-CYBMUJFWSA-N 343.456 3.308 30 40 EGEB N#CCc1ccc(NC(=O)CSc2ncn(-c3ccccc3)n2)cc1 14093464 IRHUEAGBCRNNJB-UHFFFAOYSA-N 349.419 3.064 30 40 EGEB COC(=O)C1=C(C)Nc2sc(C#N)c(N)c2[C@@H]1c1cccs1 9303706 LLJQEDQKUZLXAI-LLVKDONJSA-N 331.422 3.268 30 40 EGEB C/C(O)=N/S(=O)(=O)c1ccc(NC(=O)c2cc(C)cc(C)c2)cc1 505708 NNMINUXZZMCXKT-UHFFFAOYSA-N 346.408 3.221 30 40 EGEB COC(=O)c1sc(NC(=O)c2cccnc2Cl)c(C#N)c1C 484064 RMIIETLBYMURPJ-UHFFFAOYSA-N 335.772 3.016 30 40 EGEB CC[C@@H](C(=O)N1CCCN(c2ncccc2C#N)CC1)c1ccccc1 55740174 JSNAPLPFSKAIKF-LJQANCHMSA-N 348.450 3.186 30 40 EGEB N#C[C@H](C(=O)CN1CCCCCC1=O)c1nc2cc(F)ccc2s1 69743420 YWTPUOJSSMEQJY-GFCCVEGCSA-N 345.399 3.014 30 40 EGEB C/C(=N\c1ccccc1[N+](=O)[O-])c1c(O)c2ccccc2n(C)c1=O 101161227 OLSOOZRDAVOOIG-YBFXNURJSA-N 337.335 3.293 30 40 EGEB C/N=c1\scc(-c2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccco1 12603110 USYLPBAZSHLWLP-BULSJCKZSA-N 328.353 3.131 30 40 EGEB CCN(C[C@@H](C)C#N)C(=O)CSc1ccc(C(F)(F)F)cn1 58277595 RVSNOBUIEVTPHY-JTQLQIEISA-N 331.363 3.201 30 40 EGEB COc1cccc2c1N(CC(=O)NC1(C#N)CCCCCC1)CCC2 58356501 QMDVGDJPQZIKPT-UHFFFAOYSA-N 341.455 3.181 30 40 EGEB O=S(=O)(/N=C(\O)CC[C@@H]1CCCO1)c1ccc2ccccc2c1 48408445 TWSUMNJGBVTICK-HNNXBMFYSA-N 333.409 3.444 30 40 EGEB CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)ccc1OCC#N 409340512 YHXUYECWAYFQJA-GXDHUFHOSA-N 348.449 3.209 30 40 EGEB N#Cc1ccc(OCCOC(=O)[C@@H]2Cc3ccccc3S2)cc1 12994123 DEJNTGDVNZVZNH-KRWDZBQOSA-N 325.389 3.197 30 40 EGEB CC(C)[C@H](NC(=O)c1cccs1)C(=O)OCc1ccc(C#N)cc1 7458036 VNLBOEPVRUVGGT-INIZCTEOSA-N 342.420 3.118 30 40 EGEB CC[C@H](Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)C(N)=O 71902665 UEGUQSRRDXIZPM-HNNXBMFYSA-N 325.368 3.035 30 40 EGEB COc1ccc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)cc1O 409035276 RUCLNPCVTPYBMA-PTXOJBNSSA-N 334.191 3.115 30 40 EGEB COc1ccc(/C=N\NC(=S)Nc2ccc(F)cc2)cc1OC 33362852 NMSFYUMYAJNDEA-ZDLGFXPLSA-N 333.388 3.163 30 40 EGEB CCOC(=O)c1ccccc1N(CC)C(=O)c1cc(C#N)cs1 84112152 AHTWEGIOBCQHRD-UHFFFAOYSA-N 328.393 3.463 30 40 EGEB CCCCCCCC[C@H](O)[C@H](O)/C=C\[C@@H](O)CCCCC(=O)O 229766155 KFPLVZLISLBBSJ-QJHLUKSHSA-N 330.465 3.021 30 40 EGEB biogenic,in-vitro C=CCN(c1ccc(C(=O)OCC)cc1)S(=O)(=O)c1ccccc1 224664322 GVBVETPYFSJFRQ-UHFFFAOYSA-N 345.420 3.245 30 40 EGEB N#Cc1cccc(CNc2cccc(C(=O)N3CCC[C@@H](CO)C3)c2)c1 96453550 KNWLOIZHRJFZOK-GOSISDBHSA-N 349.434 3.015 30 40 EGEB N#C[C@H](CCc1ccccc1)C(=O)NCc1ccc2c(n1)CCCC2 1634182979 FTILSIHPEGUYAO-SFHVURJKSA-N 333.435 3.349 30 40 EGEB Cc1ccc(-c2cnc(CCC(=O)/N=C3\NCCS3)o2)cc1C 43765120 NQIGJXLHGPETLJ-UHFFFAOYSA-N 329.425 3.110 30 40 EGEB COC(=O)COCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1083809219 ZXDDARFLONNCBV-UHFFFAOYSA-N 336.150 3.034 30 40 EGEB Cc1cc(NC(=O)CCCOc2ccccc2F)n(CCC#N)n1 58289378 YPWZKPYMBQRUQO-UHFFFAOYSA-N 330.363 3.042 30 40 EGEB COc1cc2c(cc1OC)/C(=C/C(=O)c1ccc(Cl)nc1)NCC2 5427077 OTHWITIEVOJHRZ-ZROIWOOFSA-N 344.798 3.122 30 40 EGEB C[C@@](O)(C#C[C@@](O)(c1ccccc1)C(F)(F)F)c1ccc(F)cc1 4334549 DZVAPKOQXBBGKD-IAGOWNOFSA-N 338.300 3.487 30 40 EGEB CCCN/C(=N\S(=O)(=O)c1ccc(OCC)cc1)c1ccccc1 2709165 YUXDEAGRYSUMGE-UHFFFAOYSA-N 346.452 3.220 30 40 EGEB Cc1cc(C)c(C#N)c(S[C@@H](C)c2nnnn2-c2ccccc2)n1 40123076 NJOIWXNXCCFSNA-ZDUSSCGKSA-N 336.424 3.399 30 40 EGEB Cc1cccn2c(=O)c(/C=N/O)c(Nc3ccc(Cl)cc3)nc12 102817452 PQMPKGYXPWAJKZ-GIJQJNRQSA-N 328.759 3.208 30 40 EGEB N#Cc1ccc(OC[C@@H](O)CN2CCCSc3ccccc32)cc1 57943980 UUELBZLJIUCYIX-INIZCTEOSA-N 340.448 3.300 30 40 EGEB N#CCSCC(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 97164183 WLIBJFAYSWVJCU-SNAWJCMRSA-N 321.406 1.137 30 40 EGEB COc1cc(C#N)ccc1OCC(=O)N(C)[C@H](C)c1ccc(F)cc1 10902965 IWXBXIODNHCLLT-CYBMUJFWSA-N 342.370 3.304 30 40 EGEB C=C(Cl)CN(C(=O)[C@@H]1CCN(C)C(=O)C1)[C@@H]1CCc2ccccc21 69900732 GCQPPKHHPZIFTF-NVXWUHKLSA-N 346.858 3.123 30 40 EGEB N#C[C@H](NC(=O)Cc1csc(-c2ccccn2)n1)c1ccsc1 69629048 FAYLQOFFNWTNPN-AWEZNQCLSA-N 340.433 3.190 30 40 EGEB N#C[C@H](NC(=O)CC[C@H]1Cc2ccccc2NC1=O)c1ccsc1 69629061 APGVLULAPBLNMB-BBRMVZONSA-N 339.420 3.020 30 40 EGEB C[C@]1(c2ccc3ccccc3c2)NC(=O)N(C[C@@H](C#N)CCC#N)C1=O 7201648 VLHQFJRKXPTZDF-JLTOFOAXSA-N 346.390 3.050 30 40 EGEB C#CCOc1ccc(NC(=O)N[C@@H](CC)c2c(C)nn(C)c2C)cc1 96434744 PAAJGNBYIFTVCL-KRWDZBQOSA-N 340.427 3.322 30 40 EGEB C[C@H](Oc1cccc(C#N)c1)C(=O)N1CCC[C@@H](C(F)(F)F)C1 71825460 CGYIVJMPTQKYGQ-WCQYABFASA-N 326.318 3.126 30 40 EGEB Cc1nc(/C=C/c2csnn2)sc1C(=O)/C=C/c1csnn1 71862747 TXOFFDBOXPWLIH-ZUVMSYQZSA-N 347.450 3.221 30 40 EGEB C[C@H]1CN(C(=O)NCC#Cc2ccccc2)C[C@@H](c2ccsc2)O1 84714209 OUJQRQYVCLDCGO-YJBOKZPZSA-N 340.448 3.271 30 40 EGEB C[C@H](NC(=O)N[C@H]1CCOC2(CCCC2)C1)c1cccc(C#N)c1 95426201 BKFLNKGQIIGRQT-YOEHRIQHSA-N 327.428 3.410 30 40 EGEB Cc1ccc(S(=O)(=O)/N=C(\O)c2scnc2C2CC2)s1 95444998 DGGSIPRAOBCZCL-UHFFFAOYSA-N 328.440 3.084 30 40 EGEB CC(C)COC[C@@H](NC(=O)c1ccc(CC#N)cc1)c1ccco1 95442788 NZPDSLWQASILDC-QGZVFWFLSA-N 326.396 3.489 30 40 EGEB C[C@H](CNC(=O)c1cccc(C#N)c1)c1nc(-c2ccccc2)no1 89953128 NRBZHQZMGKOFIM-CYBMUJFWSA-N 332.363 3.142 30 40 EGEB Cc1ccccc1C(=O)NC1CCC(Oc2ncccc2C#N)CC1 527341800 YNEXTOKNAWPXTJ-UHFFFAOYSA-N 335.407 3.382 30 40 EGEB C[C@H]1C[C@@H](C)CN(CCCNC(=S)Nc2ccc(CC#N)cc2)C1 225728032 LWCGDSFJEXQZPG-IYBDPMFKSA-N 344.528 3.407 30 40 EGEB CCO[C@@]1(C(=O)Nc2ccc(OC(C)=O)c(C#N)c2)CCC[C@@H](C)C1 225833461 PXAWPTMDGQGUAO-YJYMSZOUSA-N 344.411 3.407 30 40 EGEB NS(=O)(=O)c1ccc(-c2ccc(C=NNc3ccccc3)o2)cc1 250544162 XLVZDMMVWPKMFU-UHFFFAOYSA-N 341.392 3.040 30 40 EGEB O=C(C#Cc1ccccc1)Nc1cccc(CN2CCCCC2=O)c1 80610991 MGGSRLFUPQYFBP-UHFFFAOYSA-N 332.403 3.189 30 40 EGEB CC(=O)C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccccc1F 19087994 YIGVGXGXMZWJJL-SFHVURJKSA-N 339.366 3.353 30 40 EGEB CC(C)(C)C(=O)/C=C1\N[C@@H]2CCCC[C@H]2N\C1=C/C(=O)C(C)(C)C 4576404 PEMLPACMQJOXII-FGBSXMGPSA-N 332.488 3.489 30 40 EGEB N#Cc1ccnc(OC[C@@H]2CCCN(c3nc4ccccc4o3)C2)c1 1775973130 IHUXCOZGUOWSIC-OAHLLOKOSA-N 334.379 3.390 30 40 EGEB Cn1cccc1[C@@H]1CCCCCN1S(=O)(=O)c1ccc(C#N)cc1 8314800 GRUQVDQUDMOFHW-SFHVURJKSA-N 343.452 3.203 30 40 EGEB C[C@@H](OC(=O)c1ccc(Cl)s1)C(=O)Nc1ccccc1C#N 4242701 XTNANHZEJXXPMD-SECBINFHSA-N 334.784 3.457 30 40 EGEB COc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)cc1 103504392 BHDPERDZAFOXOR-ZDUSSCGKSA-N 328.755 3.310 30 40 EGEB Cc1ccc(N(CCC#N)C(=O)c2ccc([N+](=O)[O-])cc2O)cc1 97097234 SZEASMZHSOSJQW-UHFFFAOYSA-N 325.324 3.169 30 40 EGEB CC(=O)/C(=N/Nc1cc(Cl)ccc1Cl)C(=O)C(F)(F)F 100068037 MKGQRRXMQANXOD-NVMNQCDNSA-N 327.089 3.482 30 40 EGEB Cc1c(C#N)c(SCC(=O)Nc2ccc(O)cc2)nc2c1CCC2 57884932 DQYRVZZKMNHGBE-UHFFFAOYSA-N 339.420 3.187 30 40 EGEB COc1ccc(N2C(=O)C=C(c3ccc(F)cc3)[C@@H]2/C=N/O)cc1 100918681 VTMLBBUGMXWNSA-PBGVMVHZSA-N 326.327 3.093 30 40 EGEB CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)C12CC3CC(CC(C3)C1)C2 10800866 PYHNIYYQNYZNLR-ZOFZFIDBSA-N 346.471 3.189 30 40 EGEB CCc1c(-c2ccncc2)n[nH]c1NC(=O)c1cccc(CC#N)c1 69511959 OASGHHBLUSRXIY-UHFFFAOYSA-N 331.379 3.352 30 40 EGEB C/N=C1/S/C(=C\c2cc(C)n(-c3ccc(O)cc3)c2C)C(=O)N1C 408853436 SHZBQGVQPCPCDY-ABFYXFRKSA-N 341.436 3.332 30 40 EGEB N#CCC[C@@H](C#N)CSc1ncnc2c1cnn2-c1ccccc1 14139806 HFUGRBQHNSMLBO-ZDUSSCGKSA-N 334.408 3.351 30 40 EGEB N#Cc1ccc(CN2CCCN(C(=O)c3ccc(F)cc3)CC2)cc1 14201013 VUIZQPOUNFNQNH-UHFFFAOYSA-N 337.398 3.045 30 40 EGEB C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(Cl)cc1)CC(=O)N2 4944244 YWEHEKVQKTWPJS-LLVKDONJSA-N 347.827 3.176 30 40 EGEB C[C@@H](Cc1cccc(F)c1)/C(O)=N/S(=O)(=O)c1ccc(F)cc1 69282477 DLZSYYMSPADRKC-NSHDSACASA-N 339.363 3.489 30 40 EGEB C/C(=N\NC(=S)NC[C@H]1CCCO1)c1ccc2ccccc2c1 8285801 JZXIMLISEMWKMS-UOBPLZBXSA-N 327.453 3.207 30 40 EGEB CC1(C)C[C@@H]1/C(O)=N/S(=O)(=O)Cc1cc(-c2ccccc2)no1 95434689 SKWZWUOHBKVRRC-CYBMUJFWSA-N 334.397 3.174 30 40 EGEB C#CCN1CCC(C(=O)Nc2nc3c(s2)C[C@@H](CCC)CC3)CC1 95957803 KWANQHHXDACNNG-AWEZNQCLSA-N 345.512 3.332 30 40 EGEB C[C@@H](/C(O)=N/S(=O)(=O)Cc1noc2ccccc12)c1ccccc1 97097952 NQASASQLTJQSMD-GFCCVEGCSA-N 344.392 3.418 30 40 EGEB N#CCC(=O)c1ccc(I)c(C(F)(F)F)c1 98211547 JTDKBFCMLPRBHH-UHFFFAOYSA-N 339.054 3.406 30 40 EGEB CCOC(=O)Nc1cccc2c1-c1ccccc1/C2=N\N=C(\N)S 17720422 CNMOOSVGSLLKPK-HMMYKYKNSA-N 340.408 3.232 30 40 EGEB Cc1cc(=O)[nH]c(SCc2cc3c(cc2Cl)OCO3)c1C#N 5640882 MJTJRBCVDHGSCY-UHFFFAOYSA-N 334.784 3.229 30 40 EGEB Cc1ccc(C(=O)/C(=C\N(C)C)c2nnnn2-c2ccc(C)cc2)cc1 5380436 MPIXQDXMSAMZRY-QGOAFFKASA-N 347.422 3.065 30 40 EGEB Cc1nnc(N2CCO[C@H](c3ccc(Cl)cc3)C2)c(C#N)c1C 52489761 IZAMTZIOFAYGHQ-INIZCTEOSA-N 328.803 3.196 30 40 EGEB c1ccc(/N=C2\NN=C(c3ccc4c(c3)OCCO4)CS2)cc1 7849378 PVGWPCIZVOFRLC-UHFFFAOYSA-N 325.393 3.186 30 40 EGEB C=CCOc1ccc(/C=C2\N=C(c3ccco3)OC2=O)cc1OC 2081071 FABDNHQUSJHJEB-RAXLEYEMSA-N 325.320 3.198 30 40 EGEB COc1ccc(F)cc1COC(=O)[C@@H](C)Oc1ccc(C#N)cc1 10780904 IICRQFHTBAPKTB-GFCCVEGCSA-N 329.327 3.217 30 40 EGEB N#Cc1ccc(/C=N/n2cnc3sc4c(c3c2=O)CCCCC4)cc1 3319942 QUPHOFHTPHKVFV-SSDVNMTOSA-N 348.431 3.481 30 40 EGEB N#Cc1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)cc1Cl 6060962 KQVZBZBEERBJDS-UHFFFAOYSA-N 331.715 3.137 30 40 EGEB O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1cccnc1)n1ncnc1N2 18197303 JMLDQNCADHTWMO-YVEFUNNKSA-N 349.419 3.150 30 40 EGEB C[C@@H]1CN(c2snnc2/C=C/C(=O)c2ccccc2)C[C@@H](C)O1 5242874 WOHAKMRPKXRXBF-RYYBZQDPSA-N 329.425 3.048 30 40 EGEB Cn1cc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)ccc1=O 66789248 SZLFBYMIQDZMCW-UHFFFAOYSA-N 345.358 3.302 30 40 EGEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccco1 19203712 WKOSWJZFFXTFHN-KRWDZBQOSA-N 329.396 3.447 30 40 EGEB N#C[C@@]1(NC(=O)CCC(=O)c2csc3ccccc23)CCSC1 87233708 OTGQXLPFSYZTTD-KRWDZBQOSA-N 344.461 3.380 30 40 EGEB Cc1csc([C@H](C#N)C(=O)c2ccnc(OCC(F)(F)F)c2)n1 95404920 WABTXGMTOIUGJU-SNVBAGLBSA-N 341.314 3.278 30 40 EGEB C=CCNc1ncc(C(=O)N2CC[C@H](c3ccccc3OC)C2)s1 95429504 LGHWVABGMUKHFZ-ZDUSSCGKSA-N 343.452 3.379 30 40 EGEB COc1ccc(-n2c(C)cc(/C=N\n3cnnc3)c2C)cc1Cl 409067308 XKYQYPPEKONIJD-ZBKNUEDVSA-N 329.791 3.230 30 40 EGEB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N/c1ccc([N+](=O)[O-])cc1O 408742674 XRMFDULNNWIEKX-XKYMITNMSA-N 338.323 3.042 30 40 EGEB C=CCc1nnc2c(CS(=O)(=O)c3cccc(Cl)c3)cccn12 32611965 YKULGOIDFHDGTC-UHFFFAOYSA-N 347.827 3.085 30 40 EGEB Cc1ncc(/C=C/C(O)=N/S(=O)(=O)c2ccc(F)cc2F)s1 79029099 OIQMBAZKRQXDQL-HWKANZROSA-N 344.364 3.088 30 40 EGEB CSc1nc(C(=O)[C@H](C#N)c2nc(C)cs2)c2ccccn12 76763769 WPUNEKFEMHTNTG-JTQLQIEISA-N 328.422 3.311 30 40 EGEB C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(C[C@H](C)O)CC1 225482692 WWLXEVFMOZHFEO-INIZCTEOSA-N 345.487 3.069 30 40 EGEB N#Cc1ccc(N2CCC[C@H]2C(=O)NCc2ccco2)cc1Cl 97104428 FBHWLTJZAXFNKI-INIZCTEOSA-N 329.787 3.090 30 40 EGEB CC(C)Oc1ccc([C@@H](O)CNC(=O)C2(C#N)CCCCC2)cc1 96407905 SFVPMVJLWFGSCN-KRWDZBQOSA-N 330.428 3.097 30 40 EGEB Cc1cc(/C=N/N=c2/ccc3cccc(O)c3[nH]2)c(O)c2ncccc12 1686141 RRJUAMXGTZCWIC-SSDVNMTOSA-N 344.374 3.371 30 40 EGEB N#Cc1ccc(C(=O)Nc2cccc(I)c2)cc1 3428183 DETIOZGRPWZEDK-UHFFFAOYSA-N 348.143 3.415 30 40 EGEB N#Cc1ccc(CN2CC[C@@H](COc3ccc(F)cn3)C2)c(F)c1 1889128207 STMDKIDMXJCCTC-CQSZACIVSA-N 329.350 3.132 30 40 EGEB C/C(=N\N=c1\sc2ccccc2n1C)c1cccc([N+](=O)[O-])c1 33383480 XCIXKTRTXXJEJW-YLUJPUDGSA-N 326.381 3.473 30 40 EGEB C/C(=N\OCC(=O)NC(C)(C)C)c1nc2ccccc2n1C(F)F 54444579 UGTQILYSOANKPL-UFFVCSGVSA-N 338.358 3.087 30 40 EGEB Cc1[nH]c2ccccc2c1/C=N/N1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]2C1=O)C31CC1 100563085 HFFAZLHMEAXMCV-JTWBLXHYSA-N 345.402 3.007 30 40 EGEB COc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=N\O 109720079 NMYBLBBYOUTRIU-NVMNQCDNSA-N 334.759 3.174 30 40 EGEB Cc1cc(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)n(CCC#N)n1 58192395 VSNLRGBAAJIXJQ-UHFFFAOYSA-N 348.410 3.160 30 40 EGEB CC/N=C1\S/C(=C\c2cc(OC)c(OC)cc2C)C(=O)N1CC 408549637 WBBSFYLATNGEKK-YBKXKOAPSA-N 334.441 3.324 30 40 EGEB COc1ccc(N2CC(=O)C(c3nc(C)c(C)s3)=C2N)cc1Cl 13726002 LTVOSYDFSDMELC-UHFFFAOYSA-N 349.843 3.139 30 40 EGEB C/C(O)=C1/C(=O)C(=O)N(CCc2ccccc2)[C@H]1c1ccccc1F 18060188 IDLNJQABRGYBMU-FDWYHIAWSA-N 339.366 3.353 30 40 EGEB CN(C(=O)CSC[C@H](O)c1ccccc1)C1(C#N)CCCCC1 65609984 YQDIJUBPSJPNGR-INIZCTEOSA-N 332.469 3.138 30 40 EGEB C#CC(CC)(CC)NC(=O)CSc1nnc(NCCCC)s1 14639723 RGZHFCUHOBEMCQ-UHFFFAOYSA-N 340.518 3.150 30 40 EGEB CC(C)[C@H](NC(=O)c1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 6789639 AMSFBDBDKYIVTA-IBGZPJMESA-N 336.391 3.457 30 40 EGEB Cc1cccc(NC(=O)/C=N/O[C@H](C)C(=O)N(C(C)C)C(C)C)c1C 15368471 BEQXRERDZFEVPI-MBTVCVBTSA-N 347.459 3.278 30 40 EGEB C=CCOc1ccc(NC(=O)C(=O)NCCC2CCCCC2)cc1 408708867 MMXPGJREKCQWEY-UHFFFAOYSA-N 330.428 3.277 30 40 EGEB COc1ccc(-c2noc(COc3ccc(C#N)cc3)n2)cc1OC 7890303 JGVKNMOVASKFSV-UHFFFAOYSA-N 337.335 3.204 30 40 EGEB S=C(NC[C@H]1CCCO1)NN=C1CCC(c2ccccc2)CC1 8285974 OTGPPSGHRRTZCK-OMOCHNIRSA-N 331.485 3.343 30 40 EGEB N#CC1(C#N)[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 218054622 NHEULVPMMNQAKI-JKSUJKDBSA-N 342.807 3.313 30 40 EGEB CN(CC1CCCCC1)S(=O)(=O)c1cc(Cl)ccc1C#N 32825695 BGGBOPPDLQNYQJ-UHFFFAOYSA-N 326.849 3.412 30 40 EGEB Cc1nn(C)c(C)c1/C(O)=N/[C@H](CO)c1c(Cl)cccc1Cl 330032291 LNHGHLAGZNXIJK-GFCCVEGCSA-N 342.226 3.382 30 40 EGEB C=CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(C(C)C)cc1 5012043 NRTQYUICYSGNQR-MRXNPFEDSA-N 330.453 3.332 30 40 EGEB N#Cc1cccnc1N1CCN(c2ccnc3cc(Cl)ccc23)CC1 23887857 WXAGTONHURBZFD-UHFFFAOYSA-N 349.825 3.481 30 40 EGEB CCc1c(C)sc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)c1C#N 102346002 MUAPAZVQVRZWTE-GVARAGBVSA-N 344.436 3.342 30 40 EGEB N#C[C@H](C(=O)NC1CCCCC1)C(=O)c1ccc(Br)cc1 103503803 UBLXHYVFVUVZBF-AWEZNQCLSA-N 349.228 3.220 30 40 EGEB Cc1noc(N)c1C(=O)OCc1ccc(-c2ccccc2C#N)cc1 22417011 HPEVICYHNDXQPV-UHFFFAOYSA-N 333.347 3.461 30 40 EGEB Cc1ccc(-c2ccc(/C=N/NC(N)=S)o2)c(Br)c1 1005424 IKIQTODMPWRVQQ-FRKPEAEDSA-N 338.230 3.185 30 40 EGEB C=CCNc1nc(C(=O)O[C@@H](C)C(=O)c2ccc(C)cc2)cs1 5040249 BWEDANSVSQCNCR-LBPRGKRZSA-N 330.409 3.478 30 40 EGEB N#C[C@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1ccsc1 69744875 YOKUASRJXFJAJM-HNNXBMFYSA-N 344.396 3.229 30 40 EGEB N/C(=N/OCC(=O)Nc1cccc(C(F)(F)F)c1)c1ccsc1 39992630 GNVAHSDUOZNDDG-UHFFFAOYSA-N 343.330 3.043 30 40 EGEB C=CCOc1ccc(-c2nn3c(-c4cccnc4)nnc3s2)cc1 9227262 CJJPMCJUKJNUKV-UHFFFAOYSA-N 335.392 3.480 30 40 EGEB N#Cc1ccccc1N1CCCN(C(=O)CCc2cccs2)CC1 71851670 SXAXTPCQTUDFAF-UHFFFAOYSA-N 339.464 3.291 30 40 EGEB CC(C)c1ccc(NS(=O)(=O)c2cccc(C#N)c2)c(C(=O)O)c1 71977181 UUTIRMAPDKOQOS-UHFFFAOYSA-N 344.392 3.181 30 40 EGEB Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(C#N)cc1F 409215989 CTJSIGPPNGTQKT-UHFFFAOYSA-N 346.745 3.455 30 40 EGEB O=[N+]([O-])c1cccc(/C=N/Nc2ccc(C(F)(F)F)cn2)c1O 409093897 BKNLIDGBDRNWDM-NGYBGAFCSA-N 326.234 3.160 30 40 EGEB O=C1/C(=N\Nc2ccccc2)c2cc(F)ccc2N1C1CSC1 223752814 UDPJMYQXGGOIOJ-SILNSSARSA-N 327.384 3.104 30 40 EGEB Cc1csc(C(=O)N(C)[C@H](C)CC#N)c1I 191075318 WKYSFQYHTPLISO-MRVPVSSYSA-N 348.209 3.035 30 40 EGEB N#Cc1ccc(NC[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)cn1 584387294 LYNZCAHOQSSUFX-RTBURBONSA-N 325.387 3.278 30 40 EGEB COc1ccccc1-n1nc(C#N)c(N2CC[C@H](c3ccccc3)C2)n1 256046982 JLAYLNLITQXQTI-INIZCTEOSA-N 345.406 3.141 30 40 EGEB COc1ccc2c(c1)CCCN2/C(N)=N/c1ccc([N+](=O)[O-])cc1 5550258 UQHXITKCPHFLCZ-UHFFFAOYSA-N 326.356 3.002 30 40 EGEB Cc1ccc2c(cnn2[C@@H]2CCCCO2)c1B1OC(C)(C)C(C)(C)O1 575631104 XCMDLKBCELZQNW-INIZCTEOSA-N 342.248 3.343 30 40 EGEB CCOc1ccccc1[C@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)CCC2 135402 YHQHWUYREXJERB-SFHVURJKSA-N 341.407 3.226 30 40 EGEB CC(=O)c1c(C)cc(C)c(CSc2ncc(C#N)c(N)n2)c1C 24726359 ZXHLNBPAOOVGLR-UHFFFAOYSA-N 326.425 3.351 30 40 EGEB COc1ccc(CN/N=C/c2ccc(C)c([N+](=O)[O-])c2)cc1OC 20195968 DFWJNFVOAJPGOH-VCHYOVAHSA-N 329.356 3.044 30 40 EGEB Cc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(C3CCCCC3)c2)c1 3350562 VQJAUPHMLLRGHC-UHFFFAOYSA-N 336.391 3.470 30 40 EGEB COc1cc(C(=O)/C=C/c2cccc(O[C@H](C)C(=O)O)c2)ccc1O 58357310 DJEVCOVAWPBIKU-WAFBPQNNSA-N 342.347 3.149 30 40 EGEB N#Cc1cccc([C@H]2[C@@H](C(=O)O)CCC(=O)N2CCc2ccccc2)c1 69370725 QVLPFSBTEZUXGZ-ICSRJNTNSA-N 348.402 3.165 30 40 EGEB COc1ccc2c(c1)/C(=N\N=C1/C[C@H](c3ccccc3)N=N1)C(=O)N2 13942685 PKMAPPYQFOSCJQ-JZRFMTABSA-N 333.351 3.347 30 40 EGEB O=[N+]([O-])c1cccc(/C=N/Nc2nc3cc(Cl)ccc3[nH]2)c1O 6445259 HOSCAHUORQTKJZ-FRKPEAEDSA-N 331.719 3.276 30 40 EGEB S=C(NC[C@@H]1CCCO1)NN=C(c1ccccc1)c1ccccc1 7571135 SEFRUNOTMDFFHG-KRWDZBQOSA-N 339.464 3.082 30 40 EGEB COc1ccccc1[C@@H](C#N)NC(=O)c1cnc(-c2ccccc2)nc1 68357910 OJLMUAIDDRTGLG-QGZVFWFLSA-N 344.374 3.147 30 40 EGEB C=CCCO[C@@H](C)C(=O)Nc1ccc(NC[C@H]2CCCO2)c(F)c1 71916156 LFNPBSLSPLIXSC-DZGCQCFKSA-N 336.407 3.336 30 40 EGEB C=CCN1CCC(NC(=O)c2sc(C)cc2OC(F)F)CC1 71907603 DWDXXJOSTOKNEM-UHFFFAOYSA-N 330.400 3.038 30 40 EGEB Cn1cc(S(=O)(=O)/N=C(\O)Cc2ccc(F)cc2)c2ccccc21 95446117 YFAWWJTZCFSPFG-UHFFFAOYSA-N 346.383 3.205 30 40 EGEB CC(C)[C@H](c1cccnc1)N(C)C(=O)C#Cc1ccc2c(c1)OCO2 95416905 LUROHOLRPRXVRK-HXUWFJFHSA-N 336.391 3.018 30 40 EGEB C=CCn1c(C)nn(CN2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c1=S 24654920 ULUMELITALFRRE-LLVKDONJSA-N 345.428 3.225 30 40 EGEB N#Cc1ccccc1N1CCCN(C(=O)NCc2cccs2)CC1 42837824 CIYDQUDHICSEJD-UHFFFAOYSA-N 340.452 3.042 30 40 EGEB C/C(=C\C(=O)c1ccc(C)o1)Nc1ccc(NN2CCOCC2)cc1 409353481 LUTGXRKAZWBJJC-BUHFOSPRSA-N 341.411 3.446 30 40 EGEB Cc1cc(Sc2nccn2C)ccc1NC(=O)c1ccc(C#N)cn1 95393256 SLYYDIBYWZQXAL-UHFFFAOYSA-N 349.419 3.399 30 40 EGEB CCCCCCCC[C@H](O)[C@@H](O)/C=C\[C@@H](O)CCCCC(=O)O 229766139 KFPLVZLISLBBSJ-KUAUVFJNSA-N 330.465 3.021 30 40 EGEB biogenic,in-vitro C=C1[C@H](O)[C@]23CC[C@H]1[C@@H](O)[C@H]2[C@@]12CCC[C@@](C)(CN(CC)C1)[C@H]2CC3 253596087 MZIQVPAVAJXVOK-AIUOBNDNSA-N 345.527 3.213 30 40 EGEB biogenic C#CCn1/c(=N/C(=O)c2ccccc2OC)sc2cccc(C)c21 100910356 KRTWQJNEJUKBGC-VXPUYCOJSA-N 336.416 3.394 30 40 EGEB C=CCn1c(C)nnc1SCC(=O)Nc1c(C)cccc1CC 6653880 KFIKDFBEYHEGHM-UHFFFAOYSA-N 330.457 3.374 30 40 EGEB C[C@](C#N)(NC(=O)CSC1=Nc2ccccc2CS1)C1CC1 22022177 VHFGFDRJUVZHOF-MRXNPFEDSA-N 331.466 3.463 30 40 EGEB N#Cc1cccc(CN2CCC3(CCCN(CC4CC4)C3=O)CC2)c1 108535613 ZCSIEHCYPIUZSV-UHFFFAOYSA-N 337.467 3.173 30 40 EGEB N#Cc1c(-c2ccccc2)nc2n(c1=O)CN(c1ccccc1)CS2 13683960 GNLFMXHTEZDLKZ-UHFFFAOYSA-N 346.415 3.309 30 40 EGEB CN(CC(=O)N[C@H]1CCC(C)(C)c2ccccc21)c1ccc(C#N)cn1 69046436 LUGMCKNKNGNCAL-SFHVURJKSA-N 348.450 3.318 30 40 EGEB CN(CC(=O)N[C@](C)(C#N)C1CC1)[C@@H](c1ccccc1)C(F)(F)F 70013513 QKRYVLWEGMEZFI-JKSUJKDBSA-N 339.361 3.030 30 40 EGEB Cc1nccn1[C@@H]1CCCN(C(=O)c2cn(CC#N)c3ccccc23)C1 72234601 PZFHBZWOZWBHSQ-MRXNPFEDSA-N 347.422 3.147 30 40 EGEB N#Cc1ccc(CNC(=O)NCc2cccc(OCC(F)F)c2)cc1 71924627 BINIDLAFVZZDGV-UHFFFAOYSA-N 345.349 3.202 30 40 EGEB O=C(Cc1ccccc1O)Nc1cccc(C#Cc2ccccn2)c1 95393820 WKRGKTICVAFSRG-UHFFFAOYSA-N 328.371 3.368 30 40 EGEB CCc1noc(C)c1/C(O)=N/S(=O)(=O)Cc1ccccc1Cl 83791999 ZOFOFSBVURNHQP-UHFFFAOYSA-N 342.804 3.033 30 40 EGEB C=CCN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc(C)cc1 224684005 BTHLCKCRASHQQD-UHFFFAOYSA-N 347.436 3.394 30 40 EGEB CC(C)(C)OC(=O)n1ccc2cncc(B3OC(C)(C)C(C)(C)O3)c21 953101199 BPTUKOPHLHWFLJ-UHFFFAOYSA-N 344.220 3.119 30 40 EGEB C=CCN1C(=O)CCC12CCC(NC(=O)[C@H]1CC[C@H](C)CC1)CC2 2055819382 YTJPUBPGDUAIHG-OQJVAOMSSA-N 332.488 3.419 30 40 EGEB N#Cc1nc(COc2ccc3c(c2)OCO3)oc1N1CCCCCC1 32105627 VYMOMAKLUAEYHD-UHFFFAOYSA-N 341.367 3.234 30 40 EGEB Cc1ccc(N2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)cc1Cl 5012162 DTIRGBNVMPFCSH-UHFFFAOYSA-N 338.798 3.241 30 40 EGEB COc1cccc([C@@H]2CCCN2S(=O)(=O)c2ccc(C#N)cc2)c1 14100217 CBQLBYMPKAVXIM-SFHVURJKSA-N 342.420 3.093 30 40 EGEB COC(=O)[C@H](N[C@H](C)c1ccc(OC)c(F)c1)c1cccc(C#N)c1 83047919 FALJZFXQTYKQEZ-KZULUSFZSA-N 342.370 3.271 30 40 EGEB Cc1ccc(-n2nnnc2[C@@H](C#N)C(=O)c2ccc(Cl)cc2)cc1 16311427 MFLKKHJSDUXLMI-HNNXBMFYSA-N 337.770 3.114 30 40 EGEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1nnc(C(C)C)s1 16966003 UCNJAZDOAGXHFT-UHFFFAOYSA-N 341.396 3.478 30 40 EGEB C=CCn1c(C)cc(C(=O)CN2CCC(c3nc(C)no3)CC2)c1C 69443218 VQSVSWCBAUENJT-UHFFFAOYSA-N 342.443 3.045 30 40 EGEB C[C@H](C#N)CSc1ccccc1NC(=O)CCN1CCSC1=O 71888203 YJFRHEPWDXXLEK-GFCCVEGCSA-N 349.481 3.436 30 40 EGEB CCCCCS(=O)(=O)/N=C(\O)Cc1csc([C@@H](C)OCC)n1 71910313 ZZZNMVAXDOGVSA-LLVKDONJSA-N 348.490 3.260 30 40 EGEB N#Cc1ccc(CNc2cccc(CN3CCC(CO)CC3)c2)cc1 86258250 QUHMGZDSRCRILP-UHFFFAOYSA-N 335.451 3.375 30 40 EGEB O=C1N/C(=N/c2ccccc2F)S/C1=C/c1ccc2c(c1)OCO2 35648008 UGJLPRNQTDUPFO-OVCLIPMQSA-N 342.351 3.446 30 40 EGEB Cc1ccc(S(=O)(=O)O[C@H]2CCCN(Cc3ccccc3)C2)cc1 79436761 GGIFZIIHVRIOJJ-SFHVURJKSA-N 345.464 3.365 30 40 EGEB N#Cc1ccc(C(=O)OC[C@@H]2CCCN(Cc3ccccc3)C2)nc1 79355819 LPDOLFPNEDJAAL-GOSISDBHSA-N 335.407 3.022 30 40 EGEB COc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@H]2C#N)cc1 252515958 OXOYUCWPLXEMDI-RCCFBDPRSA-N 327.405 3.083 30 40 EGEB C=CCCC(=O)N1CCC(Oc2ncccc2Br)CC1 96096931 AGKZJLQJYMIOKF-UHFFFAOYSA-N 339.233 3.180 30 40 EGEB O=C1Nc2c(Cl)cc(Cl)cc2/C1=N\N=C/c1ccccc1O 5707086 DZQYOAFZPRHYMC-WSVATBPTSA-N 334.162 3.474 30 40 EGEB COc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(O)cc3)S2)cc1 13546800 HUVCKNGQOKJXCM-XNTDXEJSSA-N 326.377 3.292 30 40 EGEB N#Cc1cc(Br)cnc1N1CC[C@H](c2ccncc2)C1 599098892 ADTZSOCOZYGWKM-LBPRGKRZSA-N 329.201 3.105 30 40 EGEB COc1cc(/C=C2/C(=O)ON=C2c2ccccc2)cc(OC)c1OC 451610 XDSDRHJVFJQAIG-NTEUORMPSA-N 339.347 3.057 30 40 EGEB C#CCOc1ccc(/C=C2/N=C(c3ccco3)OC2=O)cc1OCC 4997982 AESPVSVDGOIVRC-SDNWHVSQSA-N 337.331 3.035 30 40 EGEB Cc1ccsc1/C=N/c1cnn(C)c1C(=O)NCc1ccco1 2797798 CGXOTHKOHUHCHE-LICLKQGHSA-N 328.397 3.064 30 40 EGEB C[C@H](Nc1ccc(C#N)cn1)[C@@H](O)c1ccc(Br)cc1 58341581 FHNAFUNYKXPJBQ-ZUZCIYMTSA-N 332.201 3.250 30 40 EGEB C#CCN1CCC(C(=O)N2CCCC[C@H]2Cc2ccc(F)cc2)CC1 69923821 QHAMOTPMIILNDS-FQEVSTJZSA-N 342.458 3.095 30 40 EGEB Cc1cc(N2CCCC2)ccc1/C=N/N1C(=O)c2ccccc2C1=O 4738531 CKSVFDGTICVQGN-FYJGNVAPSA-N 333.391 3.225 30 40 EGEB CC1CCN(C(=O)[C@H]2CCCN(c3ncc(C#N)cc3Cl)C2)CC1 69513106 RGRZIUHADRYGFM-HNNXBMFYSA-N 346.862 3.082 30 40 EGEB N#Cc1ccc(S(=O)(=O)/N=C(\O)CCc2ccco2)cc1Cl 71883888 PNAGGUPSJWSLMB-UHFFFAOYSA-N 338.772 3.083 30 40 EGEB C=C(Br)CN1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 95432177 BZCLSJAYHMNEGP-JQWIXIFHSA-N 333.270 3.130 30 40 EGEB C=C(C)CN(CC)C(=O)Nc1ccc2nc(N3CCOCC3)oc2c1 95975661 OWXNUVBYMMOUIP-UHFFFAOYSA-N 344.415 3.094 30 40 EGEB CCS(=O)(=O)Nc1ccc(NCc2cccc(C#N)c2)cc1C 89274547 DEISVKBEHJPRAH-UHFFFAOYSA-N 329.425 3.240 30 40 EGEB CC1(C)CC(=O)C(CN2CCOCC2)=C(Nc2ccccc2F)C1 226758757 LYYXGDWOHOBAPT-UHFFFAOYSA-N 332.419 3.213 30 40 EGEB CCOC1(C(=O)Nc2ccc(OC(C)=O)cc2C#N)CCC(C)CC1 225835027 GKHYHAOWRRZCRV-UHFFFAOYSA-N 344.411 3.407 30 40 EGEB O=C(O)c1ccc2c(c1)CCC/C(=C\c1cn(C3CCC3)nn1)C2=O 585138322 DYYWIVCDBYDWAW-JLHYYAGUSA-N 337.379 3.304 30 40 EGEB COC(=O)COCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F 1083809084 BGYLUBFOGZQICU-UHFFFAOYSA-N 336.150 3.239 30 40 EGEB COC1(OC)CC2(CN(c3ccc([N+](=O)[O-])cc3C#N)[C@@H]2C(C)C)C1 1615001897 HYYXDKZBEANOGG-MRXNPFEDSA-N 345.399 3.080 30 40 EGEB COc1cc(C#N)ccc1OCc1nc(-c2ccccc2OC)no1 8130545 HFHJVXVXWXPINB-UHFFFAOYSA-N 337.335 3.204 30 40 EGEB C=CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccccc3F)c2C)C1=O 479359 DOQAHDUVIFIYFB-LFIBNONCSA-N 339.370 3.312 30 40 EGEB Cc1ccc(OCC(=O)N2C(=O)CS/C2=N/c2ccccc2)cc1 100298415 ATNOBAOPHNQXHX-VHEBQXMUSA-N 340.404 3.164 30 40 EGEB N#Cc1ccc(OCC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 44895739 RZUWTRGUNRFYGL-OLZOCXBDSA-N 326.318 3.174 30 40 EGEB C=CCNC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1 8271579 QYPPNRJZOKKQAU-UHFFFAOYSA-N 328.437 3.168 30 40 EGEB CC[C@@H](NC(=O)CSCc1ccc(C#N)cc1)c1cnn(CC)c1 70009310 JBWFTHJVWXNQIC-QGZVFWFLSA-N 342.468 3.275 30 40 EGEB CC/C(=N\NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(O)cc1 13555198 JNDDVNLWXMUAJO-BMRADRMJSA-N 338.816 3.138 30 40 EGEB CC(C)(C)CN(CCC#N)C(=O)C1CCN(C(=O)C(C)(C)C)CC1 69738236 OAYFEMRSDZZRCF-UHFFFAOYSA-N 335.492 3.059 30 40 EGEB N#Cc1cc(Cl)ccc1NCc1cccnc1N1CCOCC1 68429147 MYSDQKVIGIUGHN-UHFFFAOYSA-N 328.803 3.055 30 40 EGEB C[C@]1(C/N=C(/O)N2Cc3ccccc3CO2)OCCc2sccc21 329623214 NROVLHMRUPMHEP-GOSISDBHSA-N 344.436 3.397 30 40 EGEB N#Cc1cccc(N2CCN(c3ccc(Br)cc3)CC2)n1 596456259 LMZLIQISOVYIBQ-UHFFFAOYSA-N 343.228 3.042 30 40 EGEB Cc1csc(C(=O)N2CCC[C@H](COc3cc(C#N)ccn3)C2)c1 1776001299 KHBZVBFURDBLOA-HNNXBMFYSA-N 341.436 3.254 30 40 EGEB CN1CCN(C(=O)/C=C/c2ccccc2C#N)[C@H](c2ccccc2)C1 30030497 YMXLTGGUHCCLLH-SGWGQVFISA-N 331.419 3.087 30 40 EGEB N#Cc1cccnc1N1CCC(C(=O)c2cc(F)ccc2F)CC1 52325594 FWWCGXDZRIQKLM-UHFFFAOYSA-N 327.334 3.331 30 40 EGEB Cc1cc(C)n(-c2ccc(C(=O)N(C)c3ncccc3C#N)cc2)n1 97085593 UDYVSMHWGHJMSM-UHFFFAOYSA-N 331.379 3.032 30 40 EGEB CCCCCCCC(=O)N1CCN(C(=O)c2ccccc2F)CC1 102819178 IXTCOWVDUPXFRU-UHFFFAOYSA-N 334.435 3.471 30 40 EGEB CSc1nc(C2CC2)cc(C(=O)OCc2cc(C)no2)c1C#N 26985658 SJRKESCJCPVRLU-UHFFFAOYSA-N 329.381 3.206 30 40 EGEB COc1ccc(/C=N/O[C@@H](C)C(=O)NC2CCCCCC2)cc1OC 12811659 MHCQFAIVWJZASS-ZXOFLVKFSA-N 348.443 3.282 30 40 EGEB C#CCNC(=O)c1cn(-c2ccc(F)cc2)nc1-c1cccc(C)c1 36620275 UKMAPYJNEYHEQR-UHFFFAOYSA-N 333.366 3.350 30 40 EGEB N#Cc1ccccc1NC(=O)CCSc1nncn1-c1ccccc1 69419250 RTKVDKXQMWLNPO-UHFFFAOYSA-N 349.419 3.260 30 40 EGEB N/C(=N/OCc1cn2cc(Cl)ccc2n1)c1ccc(F)c(F)c1 65205105 OXVBMXKXMNVLOS-UHFFFAOYSA-N 336.729 3.103 30 40 EGEB C=CCN/C(S)=N/N=C/c1cc(Br)ccc1OCC 5237067 HQEMGYYEDHNQGG-CXUHLZMHSA-N 342.262 3.243 30 40 EGEB C=CCn1c(=O)c(C(=O)Nc2cccc(F)c2)c(O)c2ccccc21 6492937 MPRZPFNFFAKBGT-UHFFFAOYSA-N 338.338 3.285 30 40 EGEB CCOC(=O)/C(=N\Nc1ncnc2ccccc12)c1ccc(C)cc1 6550417 NODKTAFDLVLLRV-XLNRJJMWSA-N 334.379 3.318 30 40 EGEB Cc1cccc(NC(=O)/C=N/O[C@@H](C)C(=O)N(C(C)C)C(C)C)c1C 15368473 BEQXRERDZFEVPI-YODDIOPGSA-N 347.459 3.278 30 40 EGEB C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@H](O)C[C@@]21C 118913365 YLRFCQOZQXIBAB-DSWGTCOTSA-N 336.447 3.332 30 40 EGEB C#CCOc1ccc(N(C)C(=O)c2cccc(-n3ccnc3)c2)cc1 96409902 PNYIECWMFAFLHM-UHFFFAOYSA-N 331.375 3.161 30 40 EGEB Cc1csc(C2(NC(=O)c3ccc(C#N)c(C)n3)CCCC2)n1 79033791 WBOLLRUKBQCYDX-UHFFFAOYSA-N 326.425 3.226 30 40 EGEB N#CCOc1cccc(CNC(=O)[C@H]2SCCc3ccccc32)c1 80281044 ZKPNWBSRUVQFCK-SFHVURJKSA-N 338.432 3.236 30 40 EGEB C=CCn1c(SCCc2ccnn2C)nnc1-c1ccc(F)cc1 252508630 XQBQOBMTOOLING-UHFFFAOYSA-N 343.431 3.339 30 40 EGEB COCCn1c(C)cc(C2=NN/C(=N\c3ccccc3)SC2)c1C 5861431 MHFCLIYPOZOCGJ-UHFFFAOYSA-N 342.468 3.480 30 40 EGEB CCOC(=O)C1=C(C)/C(=N/Nc2ccc(OC(F)F)cc2)N=C1C 100812717 NWKIBPGSLNSWLM-STZFKDTASA-N 337.326 3.368 30 40 EGEB COc1ccc(-c2noc(CCC(=O)Nc3cccc(C#N)c3)n2)cc1 428502 NSARFXLVVGNBKX-UHFFFAOYSA-N 348.362 3.188 30 40 EGEB COc1ccc(Cl)cc1CN(C)c1ncc([N+](=O)[O-])cc1C#N 32808503 GAASOLMSINFTMK-UHFFFAOYSA-N 332.747 3.160 30 40 EGEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(C)[C@H]2c2ccc(C)cc2)cc1 102587332 QITQWYAYVUVQKZ-HVESIFNPSA-N 337.375 3.055 30 40 EGEB C[C@H](c1ccccc1F)N(CC(=O)N[C@@](C)(C#N)C1CC1)C1CC1 52837217 JEYZUGQDDMMNSW-YJYMSZOUSA-N 329.419 3.160 30 40 EGEB Cc1cccc(OCC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)c1 103504457 IEOBALJUYYFVLK-CQSZACIVSA-N 342.782 3.375 30 40 EGEB O=[N+]([O-])[C@H]1C=CC(O)=C(/C=N/N=C2\C[C@H](c3ccccc3)N=N2)C1 54977693 PEDGQLJLISSTJL-ZTSGSWJKSA-N 325.328 3.385 30 40 EGEB Cc1ccc(C(=O)c2coc3c2C(=O)C(=O)C(Br)=C3)cc1 2075174 WKICJUBXSOGMSG-UHFFFAOYSA-N 345.148 3.320 30 40 EGEB N#Cc1ccc(N2CCN(c3ccnc4cc(Cl)ccc34)CC2)nc1 12813680 ANDAMXDSHZBSCT-UHFFFAOYSA-N 349.825 3.481 30 40 EGEB Cc1cc(Cl)ccc1N1CC(=O)C(c2nc3ccccc3[nH]2)=C1N 5009258 PPRGIIIYRMLODQ-UHFFFAOYSA-N 338.798 3.241 30 40 EGEB COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H]2CCOC2)cc1 65593745 WGQGHMKNBWNPJK-AWEZNQCLSA-N 338.363 3.334 30 40 EGEB CC(=O)Nc1ccc(/C=N/Nc2ccc(Cl)c(C(=O)O)c2)cc1 4921023 LKYMVYIHVUHMHV-GIJQJNRQSA-N 331.759 3.443 30 40 EGEB C=C(C)CN1CCC(NC(=O)N(C)[C@@H]2CC[C@@H](SCC)C2)CC1 96462921 QISPKAQQRGWRDI-IAGOWNOFSA-N 339.549 3.343 30 40 EGEB CC(C)c1nn(CN(CCC#N)C[C@H]2CCOC2)c(=S)n1C1CC1 71856495 FWRISLIVXRLLQN-CQSZACIVSA-N 349.504 3.082 30 40 EGEB CC[C@@H](C#N)S(=O)(=O)N1CCC[C@H](c2nc(C(C)C)cs2)C1 89941816 XITPVUJREWKDBR-STQMWFEESA-N 341.502 3.078 30 40 EGEB CCOc1ccc(/C=N\OCC(=O)Nc2ccccc2)cc1OCC 33525477 ABJNJFBKGOTAPD-MOSHPQCFSA-N 342.395 3.473 30 40 EGEB Cc1ccccc1Cn1nc(OCc2ccc(F)cc2)c(C#N)c1N 225844538 HICZBDMGGIJPKR-UHFFFAOYSA-N 336.370 3.412 30 40 EGEB CCN(Cc1ccccc1)c1nn(-c2cccc([N+](=O)[O-])c2)nc1C#N 256046518 GJJYHDGBZPHQGV-UHFFFAOYSA-N 348.366 3.074 30 40 EGEB O=C(/C=C1\NCCc2cc3c(cc21)OCO3)C[C@@H]1C[C@H]2CC[C@@H]1C2 4090182 CBAXMSGGEBAKNN-XRVZJDSGSA-N 325.408 3.297 30 40 EGEB CC1(C)CC(=O)C2=C(C1)Nc1nonc1N[C@H]2c1ccccc1F 12321692 JSZSCIVRPWALJT-AWEZNQCLSA-N 328.347 3.431 30 40 EGEB COc1ccc(OCc2ccc(-c3nc(C#N)c(N(C)C)o3)o2)cc1 12418964 DZFXUQUYAPCAOX-UHFFFAOYSA-N 339.351 3.460 30 40 EGEB N#Cc1cccc(C(=O)NCc2ccc([C@@H](O)c3ccco3)s2)c1 206683364 QWOSTDVQQIOJBA-KRWDZBQOSA-N 338.388 3.224 30 40 EGEB Cn1c(SCC(=O)Nc2ccccc2C#N)nnc1-c1ccccc1 172992 ZAJYZKVSKHXHFK-UHFFFAOYSA-N 349.419 3.085 30 40 EGEB N#Cc1ccc(NC(=O)CCn2c(=O)oc3ccccc32)cc1Cl 18119995 KHWJPHUDPGGEMK-UHFFFAOYSA-N 341.754 3.148 30 40 EGEB CCSc1nnc(C)n1/N=C/c1ccc(OC(F)F)c(OC)c1 36611486 LYIXMLHJJSSIPX-CAOOACKPSA-N 342.371 3.191 30 40 EGEB CCCCOc1ccc(/C=C/C(=O)[C@@H]2C(=O)C=C(C)OC2=O)cc1 3581937 WQEGPJQOWCVLJN-RUJXFNLJSA-N 328.364 3.094 30 40 EGEB C=CCOc1ccc(/C=N/NCc2ccccc2OC)cc1OC 20762960 VZSSLKZOTGYEGJ-DEDYPNTBSA-N 326.396 3.392 30 40 EGEB COc1ccc(-c2nc(CCNC(=O)C3(C#N)CCCC3)co2)cc1 69416085 RPRXKBNLJTYELS-UHFFFAOYSA-N 339.395 3.093 30 40 EGEB CCN(C(=O)c1cccc(CC#N)c1)[C@@H]1CCN(c2ccccc2)C1=O 71896589 IZQHXGSDYIRKSG-LJQANCHMSA-N 347.418 3.020 30 40 EGEB C=CCNC(=O)c1cc2c(N3CCCCC3)nc(SC)nc2s1 408618852 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Oc1ccc(/C=N/c2ccc(I)cc2)cc1O 46043 UFDISULNKHRZOO-OVCLIPMQSA-N 339.132 3.453 30 40 EGEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C/C(=O)O)c2C#N)C1 367175 RLLYRVLFUBPTNA-FGEFZZPRSA-N 332.425 3.350 30 40 EGEB C=CCNC(=S)Nc1ccc(NC(=S)NCC=C)c(Cl)c1 7570816 CPHGOMOPVXFUDR-UHFFFAOYSA-N 340.905 3.285 30 40 EGEB C=CCn1c(N)c(C(=O)NC2CCCC2)c2nc3ccccc3nc21 520937 QKNHVEDROVPAKD-UHFFFAOYSA-N 335.411 3.025 30 40 EGEB C[C@H](Oc1ccc(C#N)cc1)C(=O)OCc1cnn(-c2ccccc2)c1 24753476 QQYKWRAVLJGWFE-HNNXBMFYSA-N 347.374 3.255 30 40 EGEB Cc1c(/N=C/c2ccc(O[C@@H](C)C(=O)O)cc2)cccc1C(=O)O 59302888 HHHSHEIUNOOBLE-NJDFMEINSA-N 327.336 3.296 30 40 EGEB COc1cccc(/C=N\CCC/N=C/c2cccc(OC)c2O)c1O 102649688 AMFPWWBMBWSHLQ-AYRZQKSOSA-N 342.395 3.043 30 40 EGEB C=CCn1c(S[C@@H]2CCCCNC2=O)nnc1C1CCCCC1 11471169 NMLXHGZZSKLMHF-CQSZACIVSA-N 334.489 3.273 30 40 EGEB C=CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(F)cc3)c2C)C1=O 409124018 GKQQDZAXQZKXJO-GZTJUZNOSA-N 339.370 3.312 30 40 EGEB Cn1cnnc1[C@H]1CCCN(c2ccc(C(F)(F)F)c(C#N)c2)C1 97144458 BAIIZACYNYEFLM-NSHDSACASA-N 335.333 3.090 30 40 EGEB COc1cc(/C=N\O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409267991 XPNYURNFVJEFLI-GRSHGNNSSA-N 328.368 3.138 30 40 EGEB COc1ccc(Cn2nc(Cc3cccc(F)c3)c(C#N)c2N)cc1 225847903 DFQYIMYCXNRCQI-UHFFFAOYSA-N 336.370 3.124 30 40 EGEB C=CC[C@H](CC)NC(=O)Nc1cc(C(=O)N2CCCC2)ccc1OC 390835502 OUPNWSOZNAZCKZ-HNNXBMFYSA-N 345.443 3.407 30 40 EGEB CC(=O)Nc1ccccc1SCC(=O)Nc1ccccc1C#N 14152478 NYFWTBGHIJKCSO-UHFFFAOYSA-N 325.393 3.247 30 40 EGEB O=C1c2cccc3cccc(c23)C(=O)N1/N=C/c1ccc2c(c1)OCO2 16431709 ISNIVSXIBKUIHU-UFFVCSGVSA-N 344.326 3.199 30 40 EGEB COc1ccc(/C=C2/CNC/C(=C\c3ccc(OC)cc3)C2=O)cc1 17195928 KLQHUUOZRTVODQ-MJZABRMRSA-N 335.403 3.343 30 40 EGEB CCc1nc(N)c(C#N)c(-c2ccc(OC)c(OC)c2OC)c1C 20357456 NYCAPCKAVIMKTE-UHFFFAOYSA-N 327.384 3.099 30 40 EGEB COCCNc1ccccc1CNC(=O)Nc1ccc(CC#N)cc1 79111791 MLNJRLOFWBNJAZ-UHFFFAOYSA-N 338.411 3.133 30 40 EGEB COc1ccc(CN(C(=O)COc2ccccc2C#N)C2CC2)cc1 8164108 LNDDKRBBRWYNEL-UHFFFAOYSA-N 336.391 3.137 30 40 EGEB C[C@@H](NC(=O)COc1ccc(C#N)cc1)c1nc(-c2ccccc2)c[nH]1 58225091 DBMBYDSSYZLHID-CQSZACIVSA-N 346.390 3.205 30 40 EGEB CC(C)n1cnnc1S[C@H](C)C(=O)N(C)C1(C#N)CCCCC1 12982601 GAYYYMVMGKVYND-CYBMUJFWSA-N 335.477 3.024 30 40 EGEB C=C(Br)CNC(=O)Nc1ccc(NC(=O)C(C)C)cc1 49300208 VQYFMHMQERJPGU-UHFFFAOYSA-N 340.221 3.311 30 40 EGEB N#Cc1ccc(C(=O)Nc2ncccc2OCc2ccncc2)cc1 69817283 JPZXWBCDQKGLLZ-UHFFFAOYSA-N 330.347 3.180 30 40 EGEB CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)Nc2ccc(C#N)cc2)C1 65605141 NDTLIFLMEFIATH-GDBMZVCRSA-N 342.443 3.107 30 40 EGEB CCN1CCN(c2nc(CC(C)C)c3c(c2C#N)CCCC3)CC1 6757297 CCRKYFWCNIKEHB-UHFFFAOYSA-N 326.488 3.172 30 40 EGEB CC(=O)CSc1nc2c(c(-c3ccccc3)c1C#N)CN(C)CC2 19889338 AKIRJQPKRWOYLW-UHFFFAOYSA-N 337.448 3.289 30 40 EGEB COCCNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 71796295 ILLGYBIPHQPMGV-UHFFFAOYSA-N 343.358 3.044 30 40 EGEB Cc1nc(C)c(C#N)c(SCCOc2ccccc2[N+](=O)[O-])n1 71961940 XRIMXNHEFDWSPJ-UHFFFAOYSA-N 330.369 3.044 30 40 EGEB C#CCOc1ccccc1CN(C)Cc1ccc(C(=O)N(C)C)cc1 71914554 BSHRURVWMOXHHD-UHFFFAOYSA-N 336.435 3.032 30 40 EGEB C=CCNC(=O)c1ccc(Cn2nc(C)c(Br)c2C)cc1 28236754 DWXCCQATONFTHW-UHFFFAOYSA-N 348.244 3.227 30 40 EGEB CN(Cc1nnc[nH]1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 187045659 XTVHPWQLCSBNAX-UHFFFAOYSA-N 348.366 3.133 30 40 EGEB CS(=O)(=O)/N=C(\O)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 78988936 RZCGBGKHWVBTRS-IAGOWNOFSA-N 345.420 3.285 30 40 EGEB N#Cc1ccccc1NS(=O)(=O)c1ccccc1Br 16146787 JQSHMOOIYVMSLV-UHFFFAOYSA-N 337.198 3.122 30 40 EGEB C=CCn1c(Sc2ncc(Cl)cc2[N+](=O)[O-])nnc1C1CC1 153543072 LUMWNZBDDVBLCS-UHFFFAOYSA-N 337.792 3.449 30 40 EGEB C#CCn1/c(=N/C(=O)c2ccccc2)sc2cccc(OCC)c21 100909817 NBDZWKYYCITPJJ-VXPUYCOJSA-N 336.416 3.476 30 40 EGEB C#CCN(Cc1nc([C@H](C)OCC)no1)[C@@H]1CCc2ccccc21 76720120 BTGYZMRGFFWVID-WMLDXEAASA-N 325.412 3.290 30 40 EGEB CN(C)c1cc[n+](CC(=O)Nc2ccccc2-c2ccccc2)cc1 4129540 AOVATKXAKYJMFF-UHFFFAOYSA-O 332.427 3.346 30 40 EGEB C[C@H](N[C@H](C)C(=O)Nc1cccc(C#N)c1)c1cccc([N+](=O)[O-])c1 56197439 TVGHPVMUCWZIMV-QWHCGFSZSA-N 338.367 3.144 30 40 EGEB CC(=O)NCc1ccc(C(=O)N(CCC#N)c2cccc(C)c2)cc1 69705686 HYMUEACOAVVLPQ-UHFFFAOYSA-N 335.407 3.192 30 40 EGEB C=CCN(C(=O)c1scnc1C)[C@H]1CCN(Cc2ccccc2)C1 69894435 DLEQQXXVPWPMEG-KRWDZBQOSA-N 341.480 3.354 30 40 EGEB Cc1nn(-c2ccccc2)c(CSc2nncn2C2CC2)c1C#N 14197619 ASDGHCSSAIIASB-UHFFFAOYSA-N 336.424 3.271 30 40 EGEB COC(=O)[C@H](N[C@@H](C)c1ccc(OC)c(F)c1)c1cccc(C#N)c1 83047913 FALJZFXQTYKQEZ-KPZWWZAWSA-N 342.370 3.271 30 40 EGEB O=C(O)c1ccc(-c2ccc(/C=N/n3cnnc3S)o2)cc1Cl 408815251 HBQODPNEGZKWFK-UBKPWBPPSA-N 348.771 3.061 30 40 EGEB CCc1cc(Oc2cccc[n+]2[O-])n2c(nc3ccccc32)c1C#N 8318998 WIEAXZGCQVYUAG-UHFFFAOYSA-N 330.347 3.347 30 40 EGEB Cc1nc(C)c(C#N)c(SCc2csc(N(C)C3CC3)n2)n1 96469047 JQVGXLKZNFXDKL-UHFFFAOYSA-N 331.470 3.313 30 40 EGEB N#Cc1ccc(SCC(=O)NCC(F)(F)F)cc1C(F)(F)F 95997474 OHJFTFUAKMLPPW-UHFFFAOYSA-N 342.264 3.348 30 40 EGEB C[C@H](NC(=O)NC1CCN(C2CCCC2)CC1)c1cccc(C#N)c1 89905163 WSHIYHPZDKXSAE-HNNXBMFYSA-N 340.471 3.325 30 40 EGEB C#CCN1C(=O)S/C(=C/c2cc(Br)cs2)C1=O 409045427 YJMKHTLWYPRYFD-WEVVVXLNSA-N 328.212 3.180 30 40 EGEB N#Cc1cnc(N[C@@H]2CCCN(C(=O)c3ccccc3)C2)c(Cl)c1 79353784 KDFHKSBEOORTHJ-OAHLLOKOSA-N 340.814 3.323 30 40 EGEB CC(C)(C)CS(=O)(=O)/N=C(\O)[C@@H]1C[C@H]1c1cc(F)ccc1F 96442096 WHBSLVNZGRXAHZ-CMPLNLGQSA-N 331.384 3.401 30 40 EGEB O=C(/C=C/N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccccc1 17861001 KOOOOSKEDONVRC-DOJUMQAQSA-N 334.375 3.150 30 40 EGEB CC(C)[C@@H](CNc1ncc([N+](=O)[O-])cc1C#N)N1CCCCCC1 32829326 YXBAZGQWNZJERB-MRXNPFEDSA-N 331.420 3.174 30 40 EGEB CC(C)c1nc(N2CCOCC2)c(C#N)c2c1CSC(C)(C)C2 20827095 MOUOMBQPYDOKJR-UHFFFAOYSA-N 331.485 3.481 30 40 EGEB CSc1nc2c(c(=O)[nH]1)[C@@H](c1ccsc1)C1=C(CCCC1=O)N2 32682303 DIDIQJMCGQDRCG-NSHDSACASA-N 345.449 3.118 30 40 EGEB N=C1C(c2nc3ccccc3s2)=C(O)CN1/N=C/c1cccnc1 102734665 NHWKUADYVUHULU-ZMHJNSJFSA-N 335.392 3.287 30 40 EGEB N#Cc1ccc(N2CC[C@H](OC(=O)c3ccc4cc[nH]c4c3)C2=O)cc1 58796461 KYIXRJHEJQGMDK-SFHVURJKSA-N 345.358 3.002 30 40 EGEB CC[C@H](C)Oc1ccc(/C=C2/S/C(=N/C)N(C)C2=O)cc1OC 408929573 LCDYGIFYQVMUCL-CVASTLPMSA-N 334.441 3.404 30 40 EGEB C=CCn1c(Cc2csc(NC(=O)C3CCCC3)n2)n[nH]c1=S 12865085 AREKCZVBJCKEGO-UHFFFAOYSA-N 349.485 3.303 30 40 EGEB N#Cc1c(F)cccc1N1CCC[C@H](C(=O)Nc2nccs2)C1 69536645 CWUHGBNZFGWXEO-NSHDSACASA-N 330.388 3.009 30 40 EGEB CCCCN(CC)c1nc2ccccc2nc1[C@@H](C#N)C(=O)OC 13007032 RWCIDLNMQZJTBJ-CYBMUJFWSA-N 326.400 3.036 30 40 EGEB CC(=O)Nc1ccc(/C=N/O[C@H](C)C(=O)N(C)c2ccccc2)cc1 14329975 YFWTXAPDRTXWRN-GNUZOCDUSA-N 339.395 3.047 30 40 EGEB C=C(C)CNC1=NN=C(c2cc(C)n(C[C@@H]3CCCO3)c2C)CS1 6862724 OHQDBRXRPZNKPI-HNNXBMFYSA-N 346.500 3.257 30 40 EGEB CSc1ccc(/C(C)=N/NS(=O)(=O)c2ccc(C)cc2)cc1 7966379 OGGFKMRRIHMBCZ-GHRIWEEISA-N 334.466 3.419 30 40 EGEB C=CCc1cc(CO)cc(OC)c1OCc1ccc(C(=O)O)cc1 409116831 MVYZDAZWENVSPU-UHFFFAOYSA-N 328.364 3.193 30 40 EGEB Cc1csc(CN(C)CC(=O)Nc2sc(C)c(C)c2C#N)n1 96455905 ZGDUAEODIWSAGG-UHFFFAOYSA-N 334.470 3.072 30 40 EGEB C/C(=N\Nc1cn[nH]c(=O)c1Cl)c1ccc(Br)cc1 7030813 LPOYOYDCSJOIJA-FRKPEAEDSA-N 341.596 3.022 30 40 EGEB Cc1cc(C(=O)OCC(=O)Nc2ccc(C#N)cc2)c2ccccc2n1 2629677 HZNMWLDIQRDZIF-UHFFFAOYSA-N 345.358 3.210 30 40 EGEB CC1=CC(=O)[C@@H](C(=O)/C=C/c2ccc(-c3ccccc3F)o2)C(=O)O1 23990223 KBQLHJXEGQPKSS-JHTBKMLMSA-N 340.306 3.314 30 40 EGEB CC(C)(C#N)C(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 55417032 XQNQNGWZWLWGRZ-UHFFFAOYSA-N 346.383 3.147 30 40 EGEB O=S(=O)(N/N=C/c1c(Cl)cccc1Cl)c1ccccc1 1617211 GCAWUBBEOBJEDQ-CXUHLZMHSA-N 329.208 3.306 30 40 EGEB C[C@@H](NC(=O)c1cccc(C#N)c1)c1nc(-c2ccc(F)cc2)no1 58305149 JNFWBISNSZXRNW-LLVKDONJSA-N 336.326 3.238 30 40 EGEB C[C@H](Oc1cccc(C#N)c1)C(=O)Nc1ccc(-n2ccnc2)cc1 58440954 ZTELLUAEIGPDHR-AWEZNQCLSA-N 332.363 3.150 30 40 EGEB C#CCOc1cccc([C@@H](C)NC(=O)Cc2noc3ccccc23)c1 69774498 LSKZHSAPCMCXGC-CQSZACIVSA-N 334.375 3.260 30 40 EGEB Cc1csc([C@@H](C#N)C(=O)COC(=O)c2ccc(Cl)s2)n1 6610287 LSISCNRDIXJTLM-QMMMGPOBSA-N 340.813 3.200 30 40 EGEB CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 14686150 VRAYGDZDWLZASS-UHFFFAOYSA-N 348.811 3.009 30 40 EGEB C[C@@H](CCc1ccccc1)NC(=O)CSc1ncccc1C#N 7051471 AREZINUIDFEROL-AWEZNQCLSA-N 325.437 3.183 30 40 EGEB CC/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(O)cc1 19799725 RVEHKPJNMYYCIS-DTQAZKPQSA-N 330.300 3.435 30 40 EGEB Oc1cc(O)c(/C=N/Nc2nc3ccccc3[nH]2)cc1Br 408719021 FYHPNHVXWFLDQK-FRKPEAEDSA-N 347.172 3.183 30 40 EGEB CCCNc1ccc(C#N)cc1NC(=O)[C@H](C)NC(=O)C1CCCC1 95412982 JTBFTROEKNFTRB-ZDUSSCGKSA-N 342.443 3.014 30 40 EGEB N#Cc1cc(N[C@@H](CCO)C2CCOCC2)nc2ccc(Cl)cc12 95943011 QQZLIOZLWVVHHE-INIZCTEOSA-N 345.830 3.349 30 40 EGEB O=C1CSC(=S)N1/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 33365273 AVMHRJCMWJVEQC-CHHVJCJISA-N 347.377 3.049 30 40 EGEB O=C(NCC#CCN1CCc2ccccc2C1)c1ccccc1Cl 70641599 DCDVTNYUEDAXGZ-UHFFFAOYSA-N 338.838 3.132 30 40 EGEB C=CCN1C(=O)CC[C@]12CCCN(C(=O)c1ccoc1C)[C@H]2CC 96052462 VGYHJIDFHXKFKL-LPHOPBHVSA-N 330.428 3.150 30 40 EGEB N#Cc1cccc(C(=O)N2CC[C@H](OCCCc3ccccc3)C2)c1 96456453 QCVZAMWQMOQQGT-FQEVSTJZSA-N 334.419 3.422 30 40 EGEB N#Cc1cccc(CN2CC[C@]3(CCC[C@H]3C(=O)N3CCCC3)C2)c1 247634205 CMUWENPYCUBDHO-PZJWPPBQSA-N 337.467 3.173 30 40 EGEB CN(C)c1ccc(/C=C2/S/C(=N/c3cccc(O)c3)NC2=O)cc1 16770016 JMKBOWRPYICIKS-MHWRWJLKSA-N 339.420 3.350 30 40 EGEB N#Cc1ccc(Cl)cc1NC(=O)c1csc(-c2cnccn2)n1 44123278 TYJDAPRJGHHXRK-UHFFFAOYSA-N 341.783 3.377 30 40 EGEB CC(=O)C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccccc1F 183897 YIGVGXGXMZWJJL-GOSISDBHSA-N 339.366 3.353 30 40 EGEB C[C@@H](NC(=O)NCCNc1cccc(F)c1C#N)c1cccs1 40139464 FXNXQQIGQCIOHV-LLVKDONJSA-N 332.404 3.231 30 40 EGEB C=CCNC(=O)CSCc1csc(-c2ccc(OC)cc2)n1 31413313 MAEDLWNIBNNZFP-UHFFFAOYSA-N 334.466 3.354 30 40 EGEB Cc1ccc(S(=O)(=O)N[C@]2(C=O)CCC[C@H]3CCCC[C@@H]32)cc1 1614465 MNWXOSNCJLKFNN-NJAFHUGGSA-N 335.469 3.201 30 40 EGEB CN(C)c1cc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)ccn1 47077121 ZCBIWQVUZJHFEF-UHFFFAOYSA-N 342.402 3.195 30 40 EGEB N#CCN(C(=O)COc1ccccc1Br)c1ccccc1 23104648 QJCQFOMMKAUISI-UHFFFAOYSA-N 345.196 3.385 30 40 EGEB C/C(=N\NS(=O)(=O)c1ccc(Cl)cc1)[C@H]1C[C@@H]2CC[C@@H]1C2 100682452 GBFCWQABIOVAIP-JOCLTSDHSA-N 326.849 3.430 30 40 EGEB C[C@@H]1C[C@@H]1c1ccc(CN(CC(=O)N[C@@](C)(C#N)C2CC2)C2CC2)o1 48043109 ZWUPXVBEWYSVCT-VOWSPCBNSA-N 341.455 3.176 30 40 EGEB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)NCc1cccc(C#N)c1 46039479 NVBIPFHYSJJJTQ-ZDUSSCGKSA-N 338.367 3.369 30 40 EGEB CC[C@@H](C)n1nccc1NC(=O)[C@H](C)N(C)Cc1cccc(C#N)c1 65590559 XKDHQIHYQHXENK-CABCVRRESA-N 339.443 3.185 30 40 EGEB Cc1ccc([C@@](O)(C#CI)c2cccnc2)cc1 255189653 RGJGZCUJUQKJMD-HNNXBMFYSA-N 349.171 3.022 30 40 EGEB C/C(=N\NC(=S)NC1CCCCC1)c1ccc2c(c1)OCCCO2 7013674 AGQITWDQOOTMTQ-DEDYPNTBSA-N 347.484 3.369 30 40 EGEB CCOC(=O)C/C(=N\Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 5716647 HBDXXUSENQUBSA-KNTRCKAVSA-N 327.340 3.364 30 40 EGEB N#CC1(NC(=O)CN2CCC[C@H]2Cc2cccc(F)c2)CCCCC1 52011510 ICHYELRNKLMDTE-SFHVURJKSA-N 343.446 3.175 30 40 EGEB CC(C)OC(=O)C[N+](C)(C)CCO[C@H]1C[C@H]2CC[C@]1(C)C2(C)C 2290890 IOGAHPAXONVGAW-GJYPPUQNSA-N 326.501 3.246 30 40 EGEB Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)NCc2ccccn2)c1C 72292620 BEZCSIGTGBJCNI-UHFFFAOYSA-N 346.394 3.078 30 40 EGEB CC1=CC(=O)[C@H](C(=O)/C=C/c2ccc(Cl)c(Cl)c2)C(=O)O1 22226835 YGGUNZUKGHNGDN-KQIUPUNMSA-N 325.147 3.222 30 40 EGEB Cc1cccc2nc(C(=O)OCc3cn4ccccc4c3C#N)cn12 22416189 PYJYBACTUJFILM-UHFFFAOYSA-N 330.347 3.124 30 40 EGEB CC(=O)Nc1cccc(-n2c(SCCC#N)nnc2C2CC2)c1 26132197 DCKRPUFNEHCJQS-UHFFFAOYSA-N 327.413 3.109 30 40 EGEB CCOC(=O)c1[nH]c(C)c(C(=O)/C=C/c2ccc(OC)c(O)c2)c1C 5132407 DZHFGRMQTZVCGA-SOFGYWHQSA-N 343.379 3.419 30 40 EGEB Cc1cc(C)cc(OCCN(C)C(=O)COc2ccccc2C#N)c1 14199705 VOKJUGAUOGTELB-UHFFFAOYSA-N 338.407 3.091 30 40 EGEB N#Cc1ccccc1CSc1nnnn1-c1ccc(Cl)cc1 6649050 MPNRJYOLUFEUFG-UHFFFAOYSA-N 327.800 3.480 30 40 EGEB C[C@H](NCc1nnc2n1CCC[C@H]2C(F)(F)F)c1ccc(C#N)cc1 89904755 UWJGBQLJVYPEKF-SMDDNHRTSA-N 349.360 3.440 30 40 EGEB Cc1c(C#N)cccc1C(=O)OCCNc1ncnc2ccccc12 1524733979 MXNAEHCVNADPLR-UHFFFAOYSA-N 332.363 3.079 30 40 EGEB N#Cc1ccc(Cc2cnc(NC(=O)C3SCCS3)s2)cc1 270397375 JBGXFDOZBIBULQ-UHFFFAOYSA-N 347.490 3.350 30 40 EGEB Cc1ccccc1[C@H](C#N)NC(=O)c1cccc(NC(=O)N(C)C)c1 96417031 FWSWSZBODHFGSP-KRWDZBQOSA-N 336.395 3.083 30 40 EGEB C[C@@H](CC#N)N(C)C(=O)Nc1ccc(I)cc1 86280107 JUFHDYZRBGXIKR-VIFPVBQESA-N 343.168 3.057 30 40 EGEB CC1(C)CC(=O)C2=C(C1)Nc1nonc1N[C@@H]2c1ccccc1F 12321691 JSZSCIVRPWALJT-CQSZACIVSA-N 328.347 3.431 30 40 EGEB CC(C)(C)C(=O)/C=C1\SCC(=O)N1CCCOc1ccccc1 32741486 KYJAPXDNDWTLAL-ATVHPVEESA-N 333.453 3.488 30 40 EGEB COc1ccc(CC(=O)Nc2sc3c(c2C#N)CCC3)cc1OC 2750560 WLKXRMZMGDZERT-UHFFFAOYSA-N 342.420 3.307 30 40 EGEB CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)Nc1sccc1C#N 102721944 JBXLMAKLBKJZMO-INIZCTEOSA-N 339.420 3.094 30 40 EGEB CCc1nc2ccccc2n1C[C@@H](O)COc1ccc(CC#N)cc1 12506055 OWPJYYILIFFXFN-MRXNPFEDSA-N 335.407 3.105 30 40 EGEB N#Cc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 3224433 UQLRTAJBFIYCNC-UHFFFAOYSA-N 325.799 3.174 30 40 EGEB CCN(CC)CCCNc1oc(-c2ccc([N+](=O)[O-])cc2)nc1C#N 2370795 VXTBZPMTIDEPGD-UHFFFAOYSA-N 343.387 3.265 30 40 EGEB CC1CCN(C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@@H]4C[C@H]23)CC1 4073763 CDNNTTNHJTXEIK-DOVHUEEUSA-N 347.499 3.245 30 40 EGEB biogenic COc1cc([N+](=O)[O-])cc(/C=N/c2sc3c(c2C#N)CCC3)c1O 4150737 FZLFHDYIPUJKSR-QGMBQPNBSA-N 343.364 3.481 30 40 EGEB COc1cc2c(cc1OC)/C(=C/C(=O)c1ccc(F)cc1)NCC2 5325295 GIRPWECKOLJTNB-WJDWOHSUSA-N 327.355 3.212 30 40 EGEB COc1ccc([C@@H](NS(=O)(=O)c2ccccc2C#N)C(C)C)cc1 14184732 YYCIVOCZTSCITF-SFHVURJKSA-N 344.436 3.242 30 40 EGEB Cc1ccc(N/N=C(\C#N)c2nnc3n2CCCCC3)cc1Cl 5447049 MJHVXIAOIOPXPD-XSFVSMFZSA-N 328.807 3.306 30 40 EGEB Cc1cc(Cl)ccc1NC(=O)COC(=O)c1ccc(C#N)cc1 5507022 MGAWJQOVWZUGIN-UHFFFAOYSA-N 328.755 3.316 30 40 EGEB Cc1nscc1C(=O)OC1CCN(Cc2ccccc2C#N)CC1 97138778 QYPMCCGKHDOHTM-UHFFFAOYSA-N 341.436 3.145 30 40 EGEB CCSC1(CNc2nnc(CC)c(CC)c2C#N)CCOCC1 95412077 ZASFVDWJDUFUNH-UHFFFAOYSA-N 334.489 3.187 30 40 EGEB C[C@H]1C[C@@H]1[C@@H](NS(=O)(=O)CCCC#N)c1ccc(Cl)cc1 195530992 FMHNQUUBOSAELJ-CQDKDKBSSA-N 326.849 3.260 30 40 EGEB Cc1cc(F)cc(S(=O)(=O)/N=C(\O)c2scnc2C2CC2)c1 89982685 WFFGDFCIAQYASH-UHFFFAOYSA-N 340.401 3.162 30 40 EGEB COc1cccc(/C=C2\Oc3cc(OC(=O)N(C)C)ccc3C2=O)c1 5903883 SWYQWIYTKOIWFM-YVLHZVERSA-N 339.347 3.372 30 40 EGEB biogenic N#CC1(COC(=O)c2c[nH]nc2-c2cccc(Cl)c2)CCOCC1 156450284 MHOSUURRPACSKY-UHFFFAOYSA-N 345.786 3.207 30 40 EGEB CN/C(S)=N/N=C\c1cccc(OC)c1OCc1ccccc1 5486362 UIJKAMNTOLNQRK-ODLFYWEKSA-N 329.425 3.113 30 40 EGEB Cc1cc(N2CCC[C@H](COc3cc(C#N)ccn3)C2)nc(C2CC2)n1 1776007703 AGTGGQSWVVDZSL-INIZCTEOSA-N 349.438 3.225 30 40 EGEB COc1csc(C(=O)[C@@H](C#N)c2nnc(-c3ccccc3)n2C)c1 78975533 FYBFRPVCYIBWSJ-CYBMUJFWSA-N 338.392 3.042 30 40 EGEB C[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2[C@@H](O)C[C@@]3(C)[C@@H](CC[C@]3(C)O)[C@@H]21 4916977 SUKMOMANEUHOTO-MVINOYJNSA-N 332.484 3.486 30 40 EGEB Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](C)c1cccs1 24049421 SBOBGQRFKNRJRT-ZDUSSCGKSA-N 330.457 3.285 30 40 EGEB O=C(Nc1n[nH]c(C(F)(F)F)n1)c1ccc(F)c(C(F)(F)F)c1 58297701 POUSBZIAVLQYTP-UHFFFAOYSA-N 342.174 3.234 30 40 EGEB C[C@H](C#N)CN(C)Cc1nc(-c2cc(Br)cs2)no1 49001356 ATCDXHXMKCAWGL-MRVPVSSYSA-N 341.234 3.152 30 40 EGEB N#Cc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1C(F)(F)F 65537055 ZCFHILVYGCARFE-UHFFFAOYSA-N 349.312 3.132 30 40 EGEB C=CCNC(=O)C[C@@H](C)CC(=O)Nc1cccc(Br)c1 4714992 UHSWIIGUADXLPI-LLVKDONJSA-N 339.233 3.106 30 40 EGEB N#CC1(NC(=O)COC(=O)c2csc3c2CCCC3)CCCCC1 5968501 CFQGEWIHSAENBH-UHFFFAOYSA-N 346.452 3.126 30 40 EGEB Cn1cnnc1[C@@H]1CCCN(c2ccc(C(F)(F)F)c(C#N)c2)C1 97144456 BAIIZACYNYEFLM-LLVKDONJSA-N 335.333 3.090 30 40 EGEB C=CCc1cc(CN2CCc3ccccc3[C@@H]2CO)cc(OC)c1O 93455363 NQPCDZZNLZYPGJ-IBGZPJMESA-N 339.435 3.221 30 40 EGEB C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C[C@H](C#N)CCC#N)CC1 71902819 VXUSVNXKBDXBEP-CABCVRRESA-N 334.464 3.055 30 40 EGEB N#Cc1ncn(-c2nc(-c3cccc(Cl)c3)nc3c2CCCC3)n1 85653452 GEJFLCWNVZRCNW-UHFFFAOYSA-N 336.786 3.128 30 40 EGEB COc1cc(C(=O)Nc2nn(C(C)(C)C)cc2C#N)ccc1Cl 89998911 WSQJMBPEKVFNSO-UHFFFAOYSA-N 332.791 3.424 30 40 EGEB N#CCCN1CCN(C(=S)c2ccc(-c3ccc(F)cc3)o2)CC1 20325112 PIEFIUMUNLDEQL-UHFFFAOYSA-N 343.427 3.292 30 40 EGEB CCc1c(C)sc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)O)c1C#N 35898129 MUAPAZVQVRZWTE-BVIHXZOGSA-N 344.436 3.342 30 40 EGEB C=CCOc1ccccc1CNC(=O)c1cc(NC(C)=O)ccc1F 78879771 INNWEWSBNZQBPV-UHFFFAOYSA-N 342.370 3.279 30 40 EGEB C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1cc(C)ccc1C)CC(=O)N2 96350515 OWQHPHYLRFXLKD-CYBMUJFWSA-N 341.436 3.139 30 40 EGEB N#Cc1ccc(N2CCC[C@@]3(C[C@@H](Oc4cccnc4)CO3)C2)cc1 96073654 ROVXEESMRNJKED-WOJBJXKFSA-N 335.407 3.160 30 40 EGEB O=C(/N=C1\c2ccccc2CN1c1ncccn1)c1cccc(F)c1 18008263 USRCZGPBKJEMTF-HAVVHWLPSA-N 332.338 3.223 30 40 EGEB C[C@H](Oc1ccc(Cl)cc1Br)/C(O)=N/c1ncn[nH]1 23140762 CPLFOFZEKLIWCC-LURJTMIESA-N 345.584 3.276 30 40 EGEB Cc1ccc(-n2nc(C)cc2NC(=O)COc2ccccc2C#N)cc1 21181187 GHSKSDCFDQYZLZ-UHFFFAOYSA-N 346.390 3.378 30 40 EGEB O=[N+]([O-])c1ccc(N/N=C/CCc2ccccc2O)c([N+](=O)[O-])c1 4962220 JPTIANRFZNFEKJ-CXUHLZMHSA-N 330.300 3.239 30 40 EGEB COc1cccc(/C=C/C(=O)c2ccc(OCC(=O)N(C)C)cc2)c1 7712886 QJQSJPCJCLMYHJ-KPKJPENVSA-N 339.391 3.058 30 40 EGEB Cc1ccc(/N=C2\C(=O)N(CN3CCOCC3)c3ccccc32)c(C)c1 549888 FMNCNVNGACUZBU-XDOYNYLZSA-N 349.434 3.061 30 40 EGEB COc1ccc2c(ccn2CCNC(=O)c2ccc(N=[N+]=[N-])nc2)c1 108518221 NDQFMYHKPCNURG-UHFFFAOYSA-N 336.355 3.417 30 40 EGEB N#Cc1ccc(NC(=O)N(Cc2cccnc2)C[C@@H]2CCCO2)cc1 48051699 QDKQSHLESQNKDM-SFHVURJKSA-N 336.395 3.166 30 40 EGEB COc1cccc(C(=O)N[C@H](C#N)c2cccc(Br)c2)c1 58289572 JPNQIEWBUPLABC-OAHLLOKOSA-N 345.196 3.452 30 40 EGEB COC(=O)CSc1nc(-c2ccccc2Cl)nc(C)c1C#N 13629862 MXGAJKWRCRCRNB-UHFFFAOYSA-N 333.800 3.242 30 40 EGEB C=C(C)COCCNC(=O)N1CCCCC[C@@H]1c1c(C)n[nH]c1C 97080599 FAZUPLCOHBHKEF-MRXNPFEDSA-N 334.464 3.246 30 40 EGEB CC[C@@H](C#N)S(=O)(=O)N[C@@H](C)c1ccc(F)c(C(F)(F)F)c1 95439857 ORVVOYWYFNZRGP-WPRPVWTQSA-N 338.326 3.127 30 40 EGEB N#Cc1cccc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)c1 32611450 KSKJCAQUXVSENE-UHFFFAOYSA-N 339.826 3.170 30 40 EGEB CC[C@@](C)(NCc1nnc(-c2ccc(C#N)cc2)o1)c1nccs1 72685009 YHYGVAZJZDTELC-QGZVFWFLSA-N 339.424 3.480 30 40 EGEB N#Cc1ccc(NC[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)cn1 584387293 LYNZCAHOQSSUFX-RBUKOAKNSA-N 325.387 3.278 30 40 EGEB CCCCCCCCCCN[C@@H]1C[C@H](C(=O)O)C[C@@H]1n1ccnn1 1615002320 WMNXJYCIMIDVRE-BBWFWOEESA-N 336.480 3.413 30 40 EGEB CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1cc(C#N)ccc1O2 113540070 BCBYXCDVANNBKC-UHFFFAOYSA-N 342.395 3.293 30 40 EGEB C=CCn1c(C)cc(C(=O)Cn2c(=O)n(CC)c3ccccc32)c1C 14704428 MBAXCFSQHVIFQL-UHFFFAOYSA-N 337.423 3.310 30 40 EGEB C/N=C(\NC[C@H]1CC=CCC1)N(C)Cc1csc([C@@H](C)OC)n1 156300696 QTDXFPZUEJCWNM-KGLIPLIRSA-N 336.505 3.214 30 40 EGEB C[C@@H]1CCC[C@@H](C)N1C[C@@H](O)Cn1cc(/C=N/O)c2ccccc21 12080467 SGYVGMPHVDOWDO-VGLJXJTLSA-N 329.444 3.073 30 40 EGEB C#CCn1c([C@H]2CC(=O)N(c3ccc(C)cc3)C2)nc2ccccc21 14095103 IEZLFGSJUDZKMM-INIZCTEOSA-N 329.403 3.498 30 40 EGEB N#CCCN(CC(F)(F)F)C(=O)Cc1ccc(Br)cc1 76092268 LUWWARIHNSARCJ-UHFFFAOYSA-N 349.150 3.296 30 40 EGEB C[C@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccccn1)c1ccc(F)cc1 103717464 PNMKKOHWQDTUTQ-IUODEOHRSA-N 325.343 3.062 30 40 EGEB Cc1cc(C)nc(N2NC3=C(C(=O)C[C@@H](C)C3)[C@H]2c2cccs2)n1 8558924 JLWOITBOVVKAED-DYZYQPBXSA-N 340.452 3.474 30 40 EGEB CC/N=C1\S/C(=C\c2ccc(OCC)c(OC)c2)C(=O)N1CC 12438666 BQUSWPRZNCNLHE-NPAMKKHASA-N 334.441 3.406 30 40 EGEB N#CC1(NC(=O)COc2cccc(C(F)(F)F)c2)CCCCC1 3331329 OQJIJAVXHRYLEC-UHFFFAOYSA-N 326.318 3.427 30 40 EGEB N#C[C@@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])c1ccc(F)cc1F 65542765 PVLDSVJZYSKLQM-SBJJXXPASA-N 343.289 3.267 30 40 EGEB N#CCCn1ncc2c(N3CC=C(c4ccccc4)CC3)ncnc21 65520149 MYRVRRZRJJVBJV-UHFFFAOYSA-N 330.395 3.034 30 40 EGEB C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCCN(C)CC1 97052091 VBAKJBIUMVUHRI-AWEZNQCLSA-N 332.473 3.108 30 40 EGEB Cc1csc(-c2cccc(C(=O)N[C@]3(C#N)CCSC3)c2)n1 72292330 GKTDIRWEXUCQFL-INIZCTEOSA-N 329.450 3.248 30 40 EGEB COc1ccc(C)cc1S(=O)(=O)Nc1ccc(C2(C#N)CC2)cc1 222982350 WLQSXQWKPYHOPK-UHFFFAOYSA-N 342.420 3.360 30 40 EGEB C=CCOC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1ccccc1)C2 96039678 KFIZJKWVWHJLIJ-CTNGQTDRSA-N 343.467 3.220 30 40 EGEB CC(=C/c1ccc(Cl)cc1)/C(O)=N/S(=O)(=O)Cc1ccon1 96485446 POVILPFCPYVRHL-NTMALXAHSA-N 340.788 3.218 30 40 EGEB COC(=O)c1ccc2c(c1)NC(=C1C(=O)CC(C)(C)CC1=O)C=C2O 12406682 UBIWBJVUWJLRSH-UHFFFAOYSA-N 341.363 3.010 30 40 EGEB O=C1N/C(=N/c2ccccc2F)S/C1=C\c1ccc2c(c1)OCO2 5551729 UGJLPRNQTDUPFO-NVNXTCNLSA-N 342.351 3.446 30 40 EGEB N#CC1(C#N)[C@H](c2ccccc2)O[C@@]23CCCC[C@H]2[C@]1(C#N)C(=N)O3 4578037 WZLSMMJVGMRTON-ILRDRHFLSA-N 332.363 3.195 30 40 EGEB CN1/C(=C\C(=O)CSc2nccn2C)C(C)(C)c2ccccc21 18182976 FXKWBRFDLGPOTA-WJDWOHSUSA-N 327.453 3.393 30 40 EGEB COc1cc(C)c(/C=N\NC(=S)Nc2ccccc2)cc1OC 108042625 SHIURXCTDSZBTF-WQRHYEAKSA-N 329.425 3.333 30 40 EGEB Cc1c(C(=O)[C@H](C#N)C(=O)NCc2ccccc2)oc2ccccc12 103503570 DUCQLPJEGIJLLM-INIZCTEOSA-N 332.359 3.380 30 40 EGEB N#Cc1ccc(Oc2ccc(NC(=O)NCc3cccnc3)cn2)cc1 48278822 BVFZHLKTXNCWJI-UHFFFAOYSA-N 345.362 3.462 30 40 EGEB Cc1cccc(N2CCN([C@@H](C)C(=O)Nc3ccccc3C#N)CC2)c1 27383006 APRDLTBRBJFGPT-KRWDZBQOSA-N 348.450 3.016 30 40 EGEB N#CCCN(Cc1ccco1)C(=O)/C=C/c1ccc(-n2ccnc2)cc1 69559883 YLUQQYYLQDCYJH-RMKNXTFCSA-N 346.390 3.421 30 40 EGEB C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2ncccn2)cc1 69632495 BQUONBRSYGMJLV-AWEZNQCLSA-N 344.374 3.421 30 40 EGEB N#Cc1cc(N2CCC[C@@H](N3CCCC3=O)C2)ccc1C(F)(F)F 95944312 CHXFKXXYGLVTHR-CQSZACIVSA-N 337.345 3.168 30 40 EGEB Cn1cc(C#N)cc1C(=O)N(Cc1ccco1)Cc1cccs1 75106911 XGEIXJYLZYVUJJ-UHFFFAOYSA-N 325.393 3.394 30 40 EGEB Cc1ccc(Cl)c(S(=O)(=O)N(CCC#N)CC(F)(F)F)c1 192125775 KCHSRSMOGPHEBJ-UHFFFAOYSA-N 340.754 3.115 30 40 EGEB COc1cc(C#N)cc(Br)c1OCC[C@@H]1CCCO1 225533145 MWPBNRICPQTDEO-NSHDSACASA-N 326.190 3.277 30 40 EGEB CC[C@@H](C#N)S(=O)(=O)N[C@H](C)c1ccc(F)c(C(F)(F)F)c1 95439859 ORVVOYWYFNZRGP-SCZZXKLOSA-N 338.326 3.127 30 40 EGEB COc1ccc([C@H](O)[C@H](C)Nc2ccc([N+](=O)[O-])c(C#N)c2)cc1 97102099 WGJWHOFHRISVDV-APPDUMDISA-N 327.340 3.009 30 40 EGEB CCOc1cc2c(cc1CNC(=O)c1ccc(C#N)cc1)O[C@@H](C)C2 5406551 MBWRVXCMSRKNFB-ZDUSSCGKSA-N 336.391 3.210 30 40 EGEB CSc1ccc(/C(C)=N\NS(=O)(=O)c2ccc(C)cc2)cc1 16739936 OGGFKMRRIHMBCZ-LGMDPLHJSA-N 334.466 3.419 30 40 EGEB COc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@H]2c2ccc(C)cc2)cc1 5687232 AJOUVKPQJSPPNF-KRWDZBQOSA-N 337.375 3.212 30 40 EGEB C/N=C1/S/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)C(=O)N1C 103490224 OUFJIPIVBLIDAJ-CFYUHYMKSA-N 342.376 3.177 30 40 EGEB Cc1cc(C)nc(N2NC3=C(C(=O)C[C@@H](C)C3)[C@@H]2c2cccs2)n1 8558925 JLWOITBOVVKAED-BTDLBPIBSA-N 340.452 3.474 30 40 EGEB COc1ccc2[nH]cc(C[C@H](C#N)C(=O)Nc3cccc(O)c3)c2c1 61719562 HLOYHKCBDPDUHJ-GFCCVEGCSA-N 335.363 3.203 30 40 EGEB COc1ccccc1-c1n[nH]c(/N=C(\O)COC2CCCCC2)n1 52779202 OEDHEPGZAQPNRW-UHFFFAOYSA-N 330.388 3.418 30 40 EGEB CCN(CC)c1nc(N)c(C#N)c([C@H](C#N)Cc2ccccc2)c1C#N 25286873 VQVKGWCIJJFHDE-HNNXBMFYSA-N 344.422 3.103 30 40 EGEB Fc1ccc(-c2nnc(CO/N=C/c3ccc4c(c3)OCO4)o2)cc1 8232811 DEROWJNPKXNVIQ-UFWORHAWSA-N 341.298 3.155 30 40 EGEB C=C(C)C(=O)OCCOc1ccc(C(=O)c2ccccc2)c(O)c1 22007521 DOZGRCMRCPSZHG-UHFFFAOYSA-N 326.348 3.121 30 40 EGEB N#C[C@]1(NC(=O)c2csc(CCc3ccccc3)n2)CCSC1 71884662 OWRVFHCEYJJNRI-QGZVFWFLSA-N 343.477 3.057 30 40 EGEB COC(=O)c1ccc(C(=O)N(CCC#N)c2ccc(C)c(C)c2)nc1 72281071 LSVUYYZIYUWBGE-UHFFFAOYSA-N 337.379 3.046 30 40 EGEB C=C(Br)CN(CC)CC(=O)Nc1c(C)cccc1C 126477901 HDRMZZNQQUKKSR-UHFFFAOYSA-N 325.250 3.472 30 40 EGEB COc1ccc(/C(C)=N/Nc2nc3ccccc3[nH]2)cc1[N+](=O)[O-] 409371458 FYOWALGCVWMMLX-VXLYETTFSA-N 325.328 3.316 30 40 EGEB COc1cc(/C=C2/N=C(c3cccc(C)c3)OC2=O)ccc1OCC#N 212446767 QWQDPPUGMTVKJR-LFIBNONCSA-N 348.358 3.251 30 40 EGEB Cn1ccnc1Cn1c(C#N)cc(N)c1Oc1ccc(Cl)cc1 225882329 ACTIXWKSKWWRNE-UHFFFAOYSA-N 327.775 3.169 30 40 EGEB CN(C)c1cc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)ccn1 97097964 WTEMIDALZCMEIL-LBPRGKRZSA-N 334.301 3.051 30 40 EGEB C=C(C)C[C@H](C)C(=O)N[C@@H](Cc1ccncc1)C(=O)OC(C)(C)C 585090865 SVBKWYCYNFDANG-HOCLYGCPSA-N 332.444 3.053 30 40 EGEB CCOc1ccccc1-n1nc(C#N)c(N2CCCC[C@H]2CC)n1 256047613 NLDOAELWELDQJD-CQSZACIVSA-N 325.416 3.307 30 40 EGEB Cc1ccc(C#N)c(SCC(=O)c2cc3ccccc3oc2=O)n1 44152 OQYIZWVGLSIGOY-UHFFFAOYSA-N 336.372 3.343 30 40 EGEB CSc1ccc(NC(=O)ON2C(=O)c3ccccc3C2=O)cc1 1567761 KAELTVMEKCXLEJ-UHFFFAOYSA-N 328.349 3.168 30 40 EGEB CCOC(=O)[C@@H](C#N)C(=O)c1ccccc1-c1ccccc1[N+](=O)[O-] 1724168 JQHRJMOGZIYZPD-HNNXBMFYSA-N 338.319 3.147 30 40 EGEB CCNC(=S)N/N=C/c1cc(Cl)c(OC(C)C)c(OCC)c1 6594447 SLHWNKDPUKTKBI-GIJQJNRQSA-N 343.880 3.344 30 40 EGEB CCOC(=O)Nc1nnc(C(F)(F)C(F)(F)C(F)(F)F)s1 59387030 ODRPKTODCQHMHN-UHFFFAOYSA-N 341.208 3.396 30 40 EGEB CC1=CC(=O)[C@H](C(=O)/C=C/c2ccc(-c3ccccc3F)o2)C(=O)O1 23990224 KBQLHJXEGQPKSS-IWHGQQBYSA-N 340.306 3.314 30 40 EGEB Cc1ccc(/C=C/C(O)=N/S(=O)(=O)Cc2ccc(Cl)nc2)o1 58149950 TXQQEGWDMACGMQ-FNORWQNLSA-N 340.788 3.136 30 40 EGEB CCOc1ccc(/C=C/C(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1OC 12760207 YIVYVFHESUFHRT-XBXARRHUSA-N 338.363 3.160 30 40 EGEB O=[N+]([O-])c1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)ccc1O 409042048 XFDGZWRNTLJZDM-LMXLVEHLSA-N 349.162 3.014 30 40 EGEB N#Cc1ccc(F)cc1CN1CCC[C@@H](c2nncn2C2CC2)C1 91629608 WWEAMXQHTSAGRO-CQSZACIVSA-N 325.391 3.003 30 40 EGEB N#Cc1ccc(COC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 6114023 GTXQFDMPPZJXPO-UHFFFAOYSA-N 334.375 3.038 30 40 EGEB Cc1ccc(-c2n[nH]cc2/C=N/n2c(C)nc3ccccc3c2=O)cc1 4311358 CEXFNDZVSGGKHD-WSDLNYQXSA-N 343.390 3.286 30 40 EGEB C=CCN1C(=O)N(c2ccccc2)C(=O)[C@H]1CC(=O)Nc1ccccc1 5274798 OVXWKQDUUUVPRB-QGZVFWFLSA-N 349.390 3.039 30 40 EGEB Cc1nn(-c2cccc(Cl)c2)nc1C(=O)Nc1cccc(C#N)c1 10216400 AXESWTFNCLEXHX-UHFFFAOYSA-N 337.770 3.353 30 40 EGEB C[C@H](COCc1ccccc1)NC(=O)c1c(F)cc(C#N)cc1F 176343077 HLCRRPDOGUUFEU-GFCCVEGCSA-N 330.334 3.172 30 40 EGEB N#Cc1c(OCc2ccc(F)cc2)nn(Cc2cccc(F)c2)c1N 225842154 MAIVNTVZNWCGAU-UHFFFAOYSA-N 340.333 3.242 30 40 EGEB N#Cc1cccc(C(=O)N2CC[C@]3(CCCN(c4ccccn4)C3)C2)c1 96216750 GMVYEUOGPNMNSS-NRFANRHFSA-N 346.434 3.086 30 40 EGEB COC[C@]1(C#N)[C@H](c2ccc(C)cc2)[C@H]1S(=O)(=O)c1ccccc1 252514953 FKTFUAWAFDBREG-GUDVDZBRSA-N 341.432 3.091 30 40 EGEB CC(C)(C)c1cc(C(=O)N[C@@H](C#N)c2cnn(-c3ccccc3)c2)no1 96426430 RSBBXSGGSDTRNO-INIZCTEOSA-N 349.394 3.152 30 40 EGEB CC(C)=NO[C@H]1CCCC[C@@H]1OS(=O)(=O)c1ccc(C)cc1 5395419 OMUVFWCYEFCHGJ-HOTGVXAUSA-N 325.430 3.424 30 40 EGEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@@H]2c1cccc(O)c1 12348608 RLJJQHARPJUDOA-CYBMUJFWSA-N 325.368 3.022 30 40 EGEB CC[C@@H]1c2ccsc2CCN1S(=O)(=O)c1ccc(C#N)cc1 15359472 NCIUXLKZNNKNHJ-OAHLLOKOSA-N 332.450 3.318 30 40 EGEB O=[N+]([O-])c1cc2c(cc1/C=N\Nc1nc3ccccc3s1)OCO2 16545395 ILJFGBKSVRUHQJ-APSNUPSMSA-N 342.336 3.379 30 40 EGEB COC(=O)[C@H]1CCCCCC[C@@H]1NC(=O)Nc1ccc(C#N)cc1 79097553 VJZPDTUNRJRLJW-HOTGVXAUSA-N 329.400 3.192 30 40 EGEB N#Cc1cccc(OCc2csc(-c3ccc(C(N)=O)cc3)n2)c1 52887960 IENBYTPUJHTVGL-UHFFFAOYSA-N 335.388 3.360 30 40 EGEB C=CCOC(=O)C1=C(C)Nc2sc(C#N)c(N)c2[C@@H]1c1ccco1 6551904 PWFVWAUQDPSDQD-CYBMUJFWSA-N 341.392 3.356 30 40 EGEB C=CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccco1 6304002 QXPPVPZFZDFCAP-UHFFFAOYSA-N 340.408 3.455 30 40 EGEB C=CCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(SC)cc1 4716219 PQBMBUPOEWRRHC-HNNXBMFYSA-N 342.424 3.018 30 40 EGEB C=CCn1c(=S)sc2c(N/N=C/c3cccnc3)ncnc21 5725902 UVMUEYKEPOUXPT-QGMBQPNBSA-N 328.426 3.249 30 40 EGEB CN(Cc1ccc(C#N)o1)Cc1cc2c(cc1OC(F)F)OCO2 93614560 GYGLHFPMFSVYKJ-UHFFFAOYSA-N 336.294 3.113 30 40 EGEB COCCn1c(Sc2cnc(C#N)cn2)nc2cc(Cl)ccc21 120638680 NFVDDFNYIXFTOW-UHFFFAOYSA-N 345.815 3.149 30 40 EGEB CC(=O)N1CCC[C@H](C/N=C(/O)N2CCC(CCC(C)C)CC2)C1 331057145 LRPGXVHENUFWBG-GOSISDBHSA-N 337.508 3.307 30 40 EGEB CCc1nnc([C@@H]2CCCN(C(=O)Nc3ccc(C#N)cc3)[C@@H]2C)o1 1615586981 HKLFECVKMLINRQ-IUODEOHRSA-N 339.399 3.304 30 40 EGEB Cc1occc1/C(O)=N/S(=O)(=O)Cc1cc(Cl)ccc1F 95416030 XONHDGBAYMSOJX-UHFFFAOYSA-N 331.752 3.215 30 40 EGEB Cc1c(C(=O)NCC2CCN(CC#N)CC2)sc2cccc(F)c12 76042128 HKGZUGFUWVENPR-UHFFFAOYSA-N 345.443 3.314 30 40 EGEB COc1ccc(C(=O)/C=C/c2cccc3c2OCO3)cc1NC(C)=O 70039783 OKVNPLBQSFWSAO-SOFGYWHQSA-N 339.347 3.278 30 40 EGEB C[C@@H]1CCCCN1C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@@H]21 105366444 IHANHCGTYJEQAK-CYSZZNTHSA-N 347.499 3.388 30 40 EGEB biogenic CC(C)OC(=O)COc1ccc(/C=N\c2ccc3c(c2)OCO3)cc1 107601591 GPHIAZOFLHXMRW-JMIUGGIZSA-N 341.363 3.496 30 40 EGEB N#C[C@H]1c2cnn(-c3ccccc3)c(=O)c2N2c3ccccc3S[C@H]12 28114893 XILLCCQHSBRLRU-ORAYPTAESA-N 344.399 3.423 30 40 EGEB COc1ccc(C[C@@H]2S/C(=N\c3ccc(F)cc3)NC2=O)cc1 18029978 OCTRNRAGXWYDEH-HNNXBMFYSA-N 330.384 3.296 30 40 EGEB N#Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@@H](C(F)(F)F)C1 14116086 YLQGQUFKZHOZRA-LLVKDONJSA-N 345.752 3.424 30 40 EGEB O=C1/C(=N/Nc2ccccn2)c2ccccc2N1Cc1ccccc1 6615997 BZFMKKNKQCAKBZ-FCDQGJHFSA-N 328.375 3.445 30 40 EGEB Cc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(Cl)cc1)C1=C(CCCC1=O)O2 15082932 ZVZAGDIUZJLHNZ-AWEZNQCLSA-N 342.782 3.263 30 40 EGEB CC/C(=N\Nc1cccc(C(=O)O)c1)c1ccc2c(c1)CC(=O)N2C 96291541 VFSXUDYHRUFPIP-LTGZKZEYSA-N 337.379 3.130 30 40 EGEB N#Cc1ccc(OCCNc2ccccc2N2CCC(O)CC2)cc1 71986881 XREFJEMHCJGVAN-UHFFFAOYSA-N 337.423 3.010 30 40 EGEB N#CCOc1ccc(CC(=O)N[C@@H]2CCCOc3ccccc32)cc1 72275502 CLGPLFPTRNMUES-GOSISDBHSA-N 336.391 3.162 30 40 EGEB CSc1[nH]c(=O)c(C(=O)N(C)c2ccc(C)c(Cl)c2)cc1C#N 95993687 FELWPIXUOHEPLI-UHFFFAOYSA-N 347.827 3.207 30 40 EGEB Cc1ccc(N(CCC#N)C(=O)c2cc(C(N)=O)cs2)cc1C 79000314 DNBUTXWHQIGHFL-UHFFFAOYSA-N 327.409 3.024 30 40 EGEB C[C@]12CC=C3[C@H](CC[C@@]45CC6(CC[C@@]34O5)OCCO6)[C@H]1CCC2=O 95092861 BAMMJXIMVWLRCU-TYQQRYPHSA-N 330.424 3.147 30 40 EGEB Cc1nnc(N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)c(C#N)c1C 96413758 LNLKQJSELXPERD-OAHLLOKOSA-N 338.386 3.204 30 40 EGEB N#CCCN(Cc1ccccn1)C(=O)c1cnc(-c2ccccc2)nc1 69445382 UVAKRCGTDXVPAZ-UHFFFAOYSA-N 343.390 3.095 30 40 EGEB C=CCNc1nnc(S[C@H](C)C(=O)N2CCc3ccccc32)s1 5784312 HGKMYWGFYOCFAU-LLVKDONJSA-N 346.481 3.206 30 40 EGEB CCOc1ccc(CCNC(=O)c2cccc(C#N)c2)cc1OCC 2642904 APLLAFAIZXOIOV-UHFFFAOYSA-N 338.407 3.328 30 40 EGEB C=CCn1c(Sc2ncccc2C#N)nc2sccc2c1=O 12522499 YTNOSJFUAOUFKM-UHFFFAOYSA-N 326.406 3.062 30 40 EGEB COCCOc1ccc(/C=C2/COc3ccc(OC)cc3C2=O)cc1 107099357 DYNMZEUIAKTQTM-PTNGSMBKSA-N 340.375 3.379 30 40 EGEB C#CCn1/c(=N/C(=O)C(C)C)sc2cc(Br)ccc21 100875320 ACNYZAKTJCSHLS-PEZBUJJGSA-N 337.242 3.182 30 40 EGEB Cc1cnc2c(S(=O)(=O)/N=C(\O)COC3CCCC3)cccc2c1 48565634 CXSDLMGJVPQWNU-UHFFFAOYSA-N 348.424 3.148 30 40 EGEB COc1ccc(NC(=S)N/N=C/c2ccc(F)cc2)cc1OC 13686063 YSYJNVPKNUAKIV-VCHYOVAHSA-N 333.388 3.163 30 40 EGEB CC1(C)CC(=O)C([C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2=O)=C(O)C1 13720150 XEYATQLRVGDXES-SNVBAGLBSA-N 349.333 3.046 30 40 EGEB CC1=NN(c2ccccc2)C(=O)/C1=N\Nc1ccc2ncccc2c1 6235688 GPPVNFURNJVWOV-PYCFMQQDSA-N 329.363 3.425 30 40 EGEB N#Cc1cccc(OCCCCC(=O)N2CCO[C@H]3CCCC[C@H]32)c1 71894067 BOWMVZHCUZIGFA-MOPGFXCFSA-N 342.439 3.277 30 40 EGEB CCc1noc(CC)c1CC(=O)N[C@@H](C#N)c1ccc(F)cc1F 96461575 JQEFHWFXVIDOAK-HNNXBMFYSA-N 333.338 3.001 30 40 EGEB CC[C@H](C)[C@H](NC(=O)Nc1cccc(C#N)c1)C(=O)OC(C)(C)C 95436595 BXOZUWNQJCTDHH-WFASDCNBSA-N 331.416 3.436 30 40 EGEB Cc1ccc(N2CC[C@H](N[C@H](C)c3ccc(OCC#N)cc3)C2=O)cc1 95404408 BSPIDVVDIRSPGK-UZLBHIALSA-N 349.434 3.354 30 40 EGEB C=CCCc1ccccc1N=C(O)N1C[C@@H](C)O[C@@]2(CCOC2)C1 330033233 XYYKGFVLQZNUMH-BEFAXECRSA-N 330.428 3.231 30 40 EGEB C=C(C)C[C@@H](C)C(=O)Nc1ccc(C(=O)OC)cc1OCCOC 585129037 VQDPHWWCIVTACT-CYBMUJFWSA-N 335.400 3.039 30 40 EGEB Cc1ccc(S(=O)(=O)/N=C(\O)N2c3ccccc3C[C@@H]2C)cc1 3257563 FVCJBYRHCZRCPT-ZDUSSCGKSA-N 330.409 3.049 30 40 EGEB CC/N=C1/S[C@@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1CC 5644868 WUDWLYOHHZXYBW-FUYOWACXSA-N 339.848 3.008 30 40 EGEB COc1cccc([C@@]2(O)CC[C@@H]3CN(Cc4ccc(C#N)cc4)C[C@@H]32)c1 13568923 KMCCQEQBARDROD-COPCDDAFSA-N 348.446 3.296 30 40 EGEB CCOC(=O)/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)=O 358368 OOYTZKYISRASMM-XNTDXEJSSA-N 329.308 3.390 30 40 EGEB Cc1cc(O)c(CN2CCCC2)c2c1C(=O)/C(=C/c1cccnc1)O2 20573598 VUOXLDWFLGVSQN-YVLHZVERSA-N 336.391 3.308 30 40 EGEB COc1ccc(OCc2nc(C#N)c(NCc3cccnc3)o2)cc1 200305 JDISGUYTGPMUIA-UHFFFAOYSA-N 336.351 3.141 30 40 EGEB N#Cc1ccc(NC[C@H](c2ccco2)N2CCCC2)c([N+](=O)[O-])c1 32533957 OUQXESHKJWUIQG-MRXNPFEDSA-N 326.356 3.308 30 40 EGEB N#Cc1ccsc1NC(=O)CN1CCCc2cc(F)cc(F)c21 26725732 FQWCQEGUXKXBFA-UHFFFAOYSA-N 333.363 3.289 30 40 EGEB COc1cccc(NC(=O)[C@@H](C#N)Cc2ccc(OC)cc2OC)c1 57525137 HTGIXGVMKDRDLM-CQSZACIVSA-N 340.379 3.033 30 40 EGEB CCOc1ccc(C#N)cc1NCC(=O)Nc1cccc(OC)c1 58166016 KSJRDXBDNIIBGB-UHFFFAOYSA-N 325.368 3.016 30 40 EGEB Cc1ccc(CN2CCCN(C(=O)c3ccc(C#N)cc3)CC2)cc1 12738877 AWXNVUGTBDCSJJ-UHFFFAOYSA-N 333.435 3.215 30 40 EGEB C#CCOc1ccc([N+](=O)[O-])cc1/C=N/NCc1ccc(Cl)cc1 10118694 ZZHHHHNJIZADRT-UDWIEESQSA-N 343.770 3.384 30 40 EGEB CCN(CC)C(=O)[C@H](OC(=O)c1ccc(C#N)cc1)c1ccccc1 13000857 NJOFWLHVYAZVNZ-GOSISDBHSA-N 336.391 3.325 30 40 EGEB N#Cc1ccc(N2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)cn1 92964240 FDSHCGBPWQLSDN-AWEZNQCLSA-N 334.301 3.025 30 40 EGEB CC(C)(C#N)C(=O)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 96008115 IMXFKMZMTCRODE-CYBMUJFWSA-N 326.318 3.155 30 40 EGEB COc1cccc(S(=O)(=O)/N=C(\O)[C@@H]2C[C@H]2c2cccc(C)c2)c1 71892428 FNDWWPXNWPZMKC-DLBZAZTESA-N 345.420 3.453 30 40 EGEB N#CCCn1ncc2c(N[C@@H]3CCC[C@@H](C(F)(F)F)C3)ncnc21 97200315 CRLACMKULZAREU-GHMZBOCLSA-N 338.337 3.273 30 40 EGEB Cc1ccc([C@@H]2CN(c3nccc(C#N)c3[N+](=O)[O-])CCO2)c(C)c1 95414949 FJZSGYVFSQRCKT-INIZCTEOSA-N 338.367 3.056 30 40 EGEB N#CCn1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c2ccccc21 409009095 BHAAWXOQRWXVDS-SFQUDFHCSA-N 342.358 3.262 30 40 EGEB CC(C)(C)Oc1cccc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 409401937 CNBYZZPFGSJYPI-NXNVCVFFSA-N 338.407 3.005 30 40 EGEB Cc1ccccc1OCCN1C(=O)/C(=N\O)c2cccc(Cl)c21 46084726 AJAXYILULKFDMB-CYVLTUHYSA-N 330.771 3.252 30 40 EGEB C=CCN1C(=O)C[C@@H](c2ccncc2)C12CCN(c1ccccn1)CC2 96200000 TVLGHZOXTUODSV-SFHVURJKSA-N 348.450 3.018 30 40 EGEB N/C(=N/Cc1cccc(COC2CCOCC2)c1)N1CCCCCC1 97228079 IIQQYYMCDIAJTF-UHFFFAOYSA-N 345.487 3.073 30 40 EGEB CC(C)(C)n1cc(C#N)c(NC(=O)[C@H]2CCC(=O)c3ccccc32)n1 285298483 GSHNVOOSYFPBPD-HNNXBMFYSA-N 336.395 3.209 30 40 EGEB Cc1cc(C)cc(OCC/C(O)=N/S(=O)(=O)c2ccccc2)c1 48406585 WSLHDIJZYFFOTR-UHFFFAOYSA-N 333.409 3.418 30 40 EGEB C=CCOc1ccc(/C=c2/sc3nc4ccccc4n3c2=O)cc1 2280533 VFJLHNBTVNNKIW-SFQUDFHCSA-N 334.400 3.022 30 40 EGEB Oc1ccccc1/C=N\n1c(S)nnc1-c1ccc(Cl)cc1 2320971 HCYHYCYKYZJWRG-MFOYZWKCSA-N 330.800 3.475 30 40 EGEB COCCOC1CCN([C@H](C#N)c2c(F)cccc2Cl)CC1 78950133 IUBLGTVXHJMREE-OAHLLOKOSA-N 326.799 3.171 30 40 EGEB N#CCSCC(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 56275111 GZXBHTNCFDPHOR-LBPRGKRZSA-N 340.832 3.093 30 40 EGEB N#CCCN(C(=O)CNc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1 3337712 XHDALDQIXQDRAN-UHFFFAOYSA-N 342.330 3.093 30 40 EGEB N#CCCN(CCC#N)c1nnc(SCc2ccccc2)s1 2201362 YFLHFGCYAHAZIW-UHFFFAOYSA-N 329.454 3.464 30 40 EGEB O=C(COc1ccccc1)NCC#Cc1cccc(C(F)(F)F)c1 13001284 MXJQUWUIOOAKOH-UHFFFAOYSA-N 333.309 3.252 30 40 EGEB C[C@H](Sc1nc2ccccc2n1CCC#N)C(=O)N1CCCC1 15981201 XFMJBPFJEMCFCG-ZDUSSCGKSA-N 328.441 3.053 30 40 EGEB C/C(=N\Nc1nncc2ccccc12)c1ccc(N2CCOCC2)cc1 7986177 LWPAHXHREAGANR-PXLXIMEGSA-N 347.422 3.303 30 40 EGEB C[C@@H](C/C(O)=N/S(=O)(=O)CCc1ccccc1)c1ccncc1 95443256 JBLRBXCGTPEDKP-AWEZNQCLSA-N 332.425 3.104 30 40 EGEB C[C@@H](NS(=O)(=O)CC#N)c1ccc(Oc2ccccc2)c(F)c1 95439619 NREHIOWFATXLCT-GFCCVEGCSA-N 334.372 3.122 30 40 EGEB C[C@H](NCc1ccc(CN2CCC(O)CC2)cc1)c1cccc(C#N)c1 95987885 ZZKGGGXHANOBGJ-KRWDZBQOSA-N 349.478 3.366 30 40 EGEB N#Cc1cnn2c(O)cc(CSc3c(F)cc(F)cc3F)nc12 54487522 GAIUXPQICPPBLS-UHFFFAOYSA-N 336.298 3.016 30 40 EGEB CSc1ccc(CN(C)C(=O)COc2ccccc2C#N)cc1 15472480 QZFACYLAOZFSJI-UHFFFAOYSA-N 326.421 3.318 30 40 EGEB COc1cc(/C=C\C(=O)c2cc(F)ccc2O)cc(OC)c1OC 33374248 CVSVZUJZPUHVQG-XQRVVYSFSA-N 332.327 3.453 30 40 EGEB CC(C)Oc1ncccc1CNC(=O)[C@@H]1C[C@@H]1c1cccc(C#N)c1 78985598 FUNSYLSADKHRPO-QZTJIDSGSA-N 335.407 3.160 30 40 EGEB N#Cc1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc2c1CCCC2 2707842 YIGOKRMCEPRFIQ-VXGBXAGGSA-N 332.425 3.328 30 40 EGEB N#CCc1ccc(OC[C@H](O)CN2CCC[C@@H]2c2cccs2)cc1 25229117 HCZQTRLDYKKAFJ-SJLPKXTDSA-N 342.464 3.391 30 40 EGEB O=C(/C=C/c1csnn1)c1ccc(I)cc1 44025244 HTODYQCKRMLKJP-AATRIKPKSA-N 342.161 3.039 30 40 EGEB C[C@@H](Oc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O)C(=O)O 5242006 NKMIJGBEYOBAOT-NUEDXCKTSA-N 328.295 3.294 30 40 EGEB CC[C@H]1c2ccsc2CCN1c1ncnc2c1cnn2CCC#N 65542865 XXTSQCXYWOJDSS-AWEZNQCLSA-N 338.440 3.315 30 40 EGEB COc1ccc([C@H](C#N)NC(=O)c2cccc(F)c2Cl)c(OC)c1 80046166 NSWIISVXZRUZOR-AWEZNQCLSA-N 348.761 3.491 30 40 EGEB C[C@@H](C#N)Sc1ccc(S(=O)(=O)N(C)C2CCCCC2)cn1 7225128 AUIBMQYFHIMZTB-LBPRGKRZSA-N 339.486 3.039 30 40 EGEB C=CCN1C(=O)/C(=C\c2cc3c(cc2OCC)OCO3)SC1=S 409099214 PRDGBFHAIJVAIM-VGOFMYFVSA-N 349.433 3.201 30 40 EGEB CCOc1cc(/C=N/n2c(S)nnc2CC)ccc1OC(F)F 8182950 SRJVIGWIBQKBPX-CAOOACKPSA-N 342.371 3.012 30 40 EGEB C[C@@H](CC(=O)Nc1nc(C#N)c(C#N)[nH]1)c1cccc(C(F)(F)F)c1 71915897 FQQFDMNFZNFSLP-VIFPVBQESA-N 347.300 3.304 30 40 EGEB C[C@@H](NC[C@@H](O)c1ccc(C#N)cc1)c1cccc(N2CCCC2=O)c1 95984704 YLWMDMVMKIGERO-FOIQADDNSA-N 349.434 3.069 30 40 EGEB Cc1cc(N[C@H]2CCCn3ncnc32)n2c(nc3ccccc32)c1C#N 75108464 WONKLGHTNYTQFT-HNNXBMFYSA-N 343.394 3.206 30 40 EGEB Cc1cc(N2CC[C@@H](Sc3ccc(C#N)cc3Cl)C2=O)n(C)n1 96484240 HJXWDPNEXSFKMX-CQSZACIVSA-N 346.843 3.151 30 40 EGEB C#CCN1CCCN(C(=O)c2cccc(SC(F)(F)F)c2)CC1 583651170 IMXPZRANYQZXDT-UHFFFAOYSA-N 342.386 3.080 30 40 EGEB O=C(COc1ccc(Br)cc1/C=N/O)Nc1ccccc1 13747827 SGYLZDMNDIRVNU-RQZCQDPDSA-N 349.184 3.275 30 40 EGEB CC(=O)C1=C(C)Oc2nc(C)[nH]c(=O)c2[C@@H]1c1ccc(Cl)cc1 15083778 OLODVAMUQZNOAE-CQSZACIVSA-N 330.771 3.119 30 40 EGEB N#Cc1c(F)cccc1N1CCN(C(=O)CC2CCCCC2)CC1 31404110 SJHPDQVSBLXMSZ-UHFFFAOYSA-N 329.419 3.316 30 40 EGEB CC(C)(C)n1cc(C#N)cc1NC(=O)Cc1ccccc1[N+](=O)[O-] 77380169 GSNSLNRCESRLQP-UHFFFAOYSA-N 326.356 3.204 30 40 EGEB COc1ccc([C@H](C#N)N2CCN(C(=O)c3ccccc3C)CC2)cc1 41259275 BRDFFEUERYDRJB-FQEVSTJZSA-N 349.434 3.026 30 40 EGEB N/C(=N\OC(=O)/C=C/c1ccccc1)c1cccc(Br)c1 12655352 KOMITMJAIQFYHH-MDZDMXLPSA-N 345.196 3.326 30 40 EGEB CN(CC#N)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1F 58150445 PEEYGTKMGYKFLJ-UHFFFAOYSA-N 345.355 3.481 30 40 EGEB CN1CCN(C(=O)c2ccccc2Sc2ccccc2C#N)CC1 69131635 AEOPRMPNTZUNHB-UHFFFAOYSA-N 337.448 3.097 30 40 EGEB CO[C@@H](C(=O)NC1CCN(c2ccccc2C#N)CC1)c1ccccc1 72298077 YGSJRVOEYHIOQY-HXUWFJFHSA-N 349.434 3.031 30 40 EGEB CC(C)c1nc2c(n1C)CCN(C(=O)Nc1ccc(CC#N)cc1)C2 95467037 VYRUKIVFVWEZQK-UHFFFAOYSA-N 337.427 3.200 30 40 EGEB O=C1CSC(=S)N1/N=C\c1ccccc1OCc1ccccc1 409352759 ZCBNMRJHNMSWSM-ZDLGFXPLSA-N 342.445 3.460 30 40 EGEB CCNC(=S)N/N=C/c1cc(Cl)c(O[C@H](C)CC)c(OC)c1 33736979 CUEKHNKMIPMIMI-SVXRXWARSA-N 343.880 3.344 30 40 EGEB CC#CCNC(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 97104792 VHWBDCHRKVMKRK-UHFFFAOYSA-N 348.468 3.079 30 40 EGEB CC/N=C(\NCc1cc(C)on1)NC[C@H](C)c1ccc(F)c(F)c1 95407074 DPTGOPSDOWWCNY-NSHDSACASA-N 336.386 3.120 30 40 EGEB OC[C@@](F)([C@H](F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F 95671203 PCGUNVYNJIFBQT-STHAYSLISA-N 332.084 3.420 30 40 EGEB CC(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(Cl)cc1 74604 OONLDSBMZOWCKC-OAHLLOKOSA-N 331.755 3.418 30 40 EGEB C[C@H](C1CC1)N(CC(F)(F)F)C(=O)COc1cccc(C#N)c1 8391726 PDEIKLHXXARATL-LLVKDONJSA-N 326.318 3.126 30 40 EGEB COc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccccc2C#N)cc1F 8308659 QPBAZEROHBCNDP-ZDUSSCGKSA-N 341.386 3.165 30 40 EGEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1N1CCCC1=O 12991605 SHUZGHSMAKYNBL-CQSZACIVSA-N 349.390 3.091 30 40 EGEB C[C@@H](Sc1nc(N2CCCCC2)c2c(c1C#N)CCCC2)C(=O)O 13115997 KNARMBWNLOCQGT-GFCCVEGCSA-N 345.468 3.388 30 40 EGEB COCCOCCCC(=O)Nc1ccccc1SC[C@H](C)C#N 65453588 SPAPHGOWTDFGFK-CQSZACIVSA-N 336.457 3.320 30 40 EGEB O=C1CCCC2=C1[C@@H](c1c(Cl)cccc1Cl)n1nnnc1N2 18196009 PXSUJXPJWDUEQU-CYBMUJFWSA-N 336.182 3.002 30 40 EGEB Cc1ccc(CN(Cc2ccc(C)o2)/C(S)=N/CC(=O)O)cc1 8830015 BXZNRWLIIUTZOZ-UHFFFAOYSA-N 332.425 3.269 30 40 EGEB Cc1nc(C(=O)Nc2cccc(C(=O)N3CCCC3)c2C)ccc1C#N 89540426 BWZQPCAIXVNEHY-UHFFFAOYSA-N 348.406 3.058 30 40 EGEB N#CCSc1nc2nc(-c3ccccc3)cc(-c3cccnc3)n2n1 20800355 YOEXVIFVUMGXPX-UHFFFAOYSA-N 344.403 3.469 30 40 EGEB CCCCSc1nc(N)c(C#N)c(COc2ccccc2OC)n1 223690448 KOGWHDRZANMGCB-UHFFFAOYSA-N 344.440 3.410 30 40 EGEB CN(/C(N)=N/Cc1nc2c(s1)C[C@H](c1ccccc1)CC2)C1CC1 252482900 DPYPKAJQBJSOLY-CQSZACIVSA-N 340.496 3.325 30 40 EGEB C=CCn1c2cc(C)sc2c2cnn(Cc3ccncc3)c(=O)c21 12113505 VJAVTPNTNLNKFI-UHFFFAOYSA-N 336.420 3.350 30 40 EGEB CN1C(=O)/C(=C/c2ccco2)S/C1=N/c1cccc(C(=O)O)c1 13124065 KACKSKKMNBHRSR-WBCCSYDZSA-N 328.349 3.212 30 40 EGEB Cc1ccc(NC(=O)[C@@H]2CCCN2/C=C/C(=O)C(F)(F)F)cc1 4119677 WYHGSJAGUHQGAZ-FROQITRMSA-N 326.318 3.043 30 40 EGEB COc1cccc(-c2c(C#N)c(N)n3c(nc4ccccc43)c2C#N)c1 209769 AFQRBLMMUQBZPR-UHFFFAOYSA-N 339.358 3.489 30 40 EGEB C/N=c1/scc(-c2ccccc2F)n1/N=C/c1ccccc1O 103457607 TZLLWSMZKATLFC-DTTLINJISA-N 327.384 3.474 30 40 EGEB CC1(C)[C@H]2CC[C@]1(C)/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2=O 103722978 MUGWRNJDZWKRAM-MNQFEWIQSA-N 346.343 3.296 30 40 EGEB N#C[C@@H](NC(=O)c1n[nH]c2c1CCC2)c1cccc(Cl)c1Cl 108818838 SIGBZGMLADNCTJ-GFCCVEGCSA-N 335.194 3.200 30 40 EGEB COCCN(Cc1ccccc1)C(=O)[C@H](C)Oc1ccc(C#N)cc1 36185141 JSOHBHZWVRZSOJ-INIZCTEOSA-N 338.407 3.001 30 40 EGEB C=CCOc1cccc(-c2nn3c(-c4ccccn4)nnc3s2)c1 10312387 FWQGKCUCPHVWKG-UHFFFAOYSA-N 335.392 3.480 30 40 EGEB CCOC(=O)N1CCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1 12818163 OFGUFQXLFXYLNS-UHFFFAOYSA-N 349.434 3.499 30 40 EGEB Cc1ccc(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)cc1F 65502496 KZCKWMFGWSJVQB-UHFFFAOYSA-N 340.354 3.466 30 40 EGEB CCCN1C(=O)[C@](O)(CC(=O)/C=C\c2ccccc2)c2ccccc21 4554668 XKXUSLXGMBSVQH-SQZREULQSA-N 335.403 3.303 30 40 EGEB COc1cccc(/C=N/Nc2ncnc3sc(C)c(C)c23)c1O 4680480 XKVWSRRBPRFHQE-FBCYGCLPSA-N 328.397 3.468 30 40 EGEB C#CCOc1ccc2ccccc2c1/C=C1\NC(=O)N(CCC)C1=O 4743075 BKCLOFBKGUFHAM-LGMDPLHJSA-N 334.375 3.155 30 40 EGEB N#Cc1cn(CCC(=O)Nc2cccc(F)c2)c2ccccc2c1=O 69708388 CXOKMIQIVSGDAB-UHFFFAOYSA-N 335.338 3.041 30 40 EGEB Cc1ccc(S(=O)(=O)/N=C(\O)COc2cc(F)ccc2F)s1 71880128 NGHQILPBALXUBX-UHFFFAOYSA-N 347.364 3.059 30 40 EGEB Cc1cc([N+](=O)[O-])cc(/C=N/c2ccccc2N2CCOCC2)c1O 35877080 CEZABJFQQGTOOF-XDHOZWIPSA-N 341.367 3.196 30 40 EGEB C=CCO[C@H]1CCN(C(=O)c2cccs2)[C@H]1Cc1ccncc1 96200776 AWYBBCNZGDIKFY-HOTGVXAUSA-N 328.437 3.172 30 40 EGEB CC1=C2C(=NC(=O)[C@@H](C#N)[C@H]2c2cccc(Oc3ccccc3)c2)NN1 585145673 WSSMPNRMSPVDCQ-FUHWJXTLSA-N 344.374 3.023 30 40 EGEB CCCCC[C@H](CC)N1CC(=O)C(c2nc3ccccc3[nH]2)=C1N 11692126 ZATDHOHBRREYOW-ZDUSSCGKSA-N 326.444 3.434 30 40 EGEB C[C@H](CC#N)NC(=O)Nc1cc(Br)ccc1-n1cccn1 160023168 RFDOOVVAOUYMDH-SNVBAGLBSA-N 348.204 3.058 30 40 EGEB Cc1nn(C)c(C)c1C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 2781778 BBBUOUFJLBFUPK-VIFPVBQESA-N 328.441 3.347 30 40 EGEB CCN(CCC#N)C(=O)CCc1cc(F)ccc1Br 97107248 WLSIEIZVTNDKLT-UHFFFAOYSA-N 327.197 3.283 30 40 EGEB N#CC1(NC(=O)CSc2ncc(-c3ccc(F)cc3)[nH]2)CCCC1 12530058 OXNOZFRGSLKTTA-UHFFFAOYSA-N 344.415 3.260 30 40 EGEB Cc1ccc(S(=O)(=O)N/N=C2/[C@@H](C)[C@H]3C=C[C@H]2C=C/C=C/3)cc1 102318555 NJKAGWLHGKJNOV-IIGJNUNJSA-N 328.437 3.194 30 40 EGEB CN(CCC(=O)N1CCc2sccc2C1)Cc1cccc(C#N)c1 55901767 WLQATEKVSDDUDU-UHFFFAOYSA-N 339.464 3.027 30 40 EGEB CC1=CC(=O)[C@@H](C(=O)/C=C/c2c(Cl)cccc2Cl)C(=O)O1 3543733 LLFYPUWVVHUJBB-VBROQKIQSA-N 325.147 3.222 30 40 EGEB O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccccc1)n1nnnc1N2 18200749 VZSJHKCKKLCYOC-BEFAXECRSA-N 343.390 3.089 30 40 EGEB Cc1ccc(OCCCNC(=O)Cc2cccc(OCC#N)c2)cc1 89636958 GPYLBIGRMQBLHD-UHFFFAOYSA-N 338.407 3.025 30 40 EGEB Cc1nc(Cl)cc(N2CCC(Nc3ccccc3C#N)CC2)n1 583650950 DEBVIZYFGZYXIA-UHFFFAOYSA-N 327.819 3.391 30 40 EGEB N#CC1(CS(=O)(=O)N2CCCc3c(Cl)cc(Cl)cc32)CC1 591329076 MYEWMQPTIPZDTM-UHFFFAOYSA-N 345.251 3.380 30 40 EGEB CCOc1cc(C(=O)N(CCC#N)Cc2cccnc2)ccc1OC 78942058 KTJVHXXWGSWJPV-UHFFFAOYSA-N 339.395 3.045 30 40 EGEB CCCCCCCCCCCC(=O)CC(=O)N[C@@H]1CCOC1=O 42804658 YQFJJDSGBAAUPW-MRXNPFEDSA-N 325.449 3.298 30 40 EGEB biogenic C#CC(CC)(CC)NC(=O)CSc1nc(NC)c2ccccc2n1 27670291 PPMBIQPGIMUACD-UHFFFAOYSA-N 342.468 3.072 30 40 EGEB COc1cccc(CN2CCC(NCc3cccc(C#N)c3)CC2)c1 48778393 KBEAHXMMYGJONJ-UHFFFAOYSA-N 335.451 3.321 30 40 EGEB C/C(=N\NC(=S)Nc1ccccc1)[C@@H]1Cc2ccccc2C(=O)O1 5187209 LVWDGRHUAJXZKL-DORSJAEJSA-N 339.420 3.131 30 40 EGEB C#CCN1C(=O)S/C(=C\c2cccc(OC)c2OC(C)C)C1=O 14011476 FDKKCWRXIRHPHS-UVTDQMKNSA-N 331.393 3.152 30 40 EGEB CC(C)CCn1c(=O)c2ccccc2n2c(S[C@H](C)C#N)nnc12 4500965 NPMVNBSKXGQIBT-GFCCVEGCSA-N 341.440 3.094 30 40 EGEB N#Cc1cnc(NCCCS(=O)(=O)Cc2ccccc2)c(Cl)c1 71908219 FMOFNOUTEJIJLB-UHFFFAOYSA-N 349.843 3.024 30 40 EGEB Cc1nc(C(=O)N2CCOc3ccc(C(F)(F)F)cc32)ccc1C#N 89536857 NJFCKLWRWXQHSS-UHFFFAOYSA-N 347.296 3.320 30 40 EGEB COc1cc(/C=N\c2ccc3c(c2)OCO3)ccc1O[C@@H](C)C(=O)O 409013275 MPKXOXYOOXMHBK-FBRGWYAUSA-N 343.335 3.026 30 40 EGEB COc1cc(/C=N/Nc2nc3ccccc3s2)c(O)c([N+](=O)[O-])c1 37061990 MEEGITGBDPKGCC-LZYBPNLTSA-N 344.352 3.365 30 40 EGEB COc1cc(Cl)c(C)cc1NC(=O)CCNc1cnccc1C#N 91732055 BXKHVXYHJZMKAH-UHFFFAOYSA-N 344.802 3.364 30 40 EGEB COc1ccc([C@H](NC(=O)CC#N)c2ccccc2Cl)c(OC)c1 97097350 RDIBTNJVRVCAPE-GOSISDBHSA-N 344.798 3.476 30 40 EGEB CS(=O)(=O)/N=C(\O)CC(Cc1ccccc1)Cc1ccccc1 96460868 RSJSTZOMVPPHMC-UHFFFAOYSA-N 331.437 3.394 30 40 EGEB N#Cc1ccc(OC2CCN(C(=O)/C=C/c3cccs3)CC2)nc1 90607616 QZLBRZWQVCLHTJ-GQCTYLIASA-N 339.420 3.098 30 40 EGEB N#Cc1cc(Cl)ccc1S(=O)(=O)N1[C@H]2CC[C@H]1CC1(CC1)C2 599382003 LHPXGDKUFMIEPI-KBPBESRZSA-N 336.844 3.307 30 40 EGEB CCO[C@H]1C[C@H](N(C)C(=O)c2ccc(C#N)cn2)C12CCCCC2 78874895 OGILDBZXZYVWPH-IRXDYDNUSA-N 327.428 3.153 30 40 EGEB CC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)c2ncccc21 206026612 FHHBVBZHPDTTTE-UHFFFAOYSA-N 344.220 3.119 30 40 EGEB COc1ccc(/C=N/Nc2nnnn2-c2cccc3ccccc23)cc1 4380227 JBEGBPQFQKDOGY-DEDYPNTBSA-N 344.378 3.270 30 40 EGEB C[C@@H]1CC(=O)C2=C(C1)Nc1nonc1N[C@H]2c1ccc2ncccc2c1 12324837 POWUMKGEISIKOE-BTDLBPIBSA-N 347.378 3.450 30 40 EGEB CC(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Cl)cc1 78192 JTZWGHIBHXKDAG-INIZCTEOSA-N 342.782 3.220 30 40 EGEB Cc1ccc(NC(=O)[C@@H]2CC(=O)OC3=C2C(=O)CC(C)(C)C3)cc1 8559652 JLJRQBVJYAFXJA-CYBMUJFWSA-N 327.380 3.140 30 40 EGEB Cc1nn(-c2ccccc2)c(COC(=O)c2cc(Cl)c[nH]2)c1C#N 23199941 PIXJELUQWGHIEZ-UHFFFAOYSA-N 340.770 3.391 30 40 EGEB N#Cc1ccccc1-c1ccc(Cn2cc([N+](=O)[O-])ccc2=O)cc1 23442023 VHTFBFBCLQFWKZ-UHFFFAOYSA-N 331.331 3.343 30 40 EGEB O=C(O)c1ccc(/C=C/C(=O)c2cccc(N3CCOC3=O)c2)cc1 58344365 BUXULTFETBDRLP-RMKNXTFCSA-N 337.331 3.238 30 40 EGEB CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc2ccccc2c(=O)[nH]1 45466976 DQRMJBKCLPAFGQ-UHFFFAOYSA-N 345.402 3.452 30 40 EGEB CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1cccc(C#N)c1 11371483 IXQJGMZOXOQEOW-KDOFPFPSSA-N 335.407 3.341 30 40 EGEB N#Cc1ccc(CNC2CCN(CCC(F)(F)F)CC2)c(F)c1 180164287 STWUZVGZLFHDLX-UHFFFAOYSA-N 329.341 3.204 30 40 EGEB CC(C)[C@](C)(C#N)NC(=O)CN[C@@H](c1cccnc1)C1CCCCC1 65591322 WTXRUXABQCYIFQ-UXHICEINSA-N 342.487 3.347 30 40 EGEB NC(=S)N/N=C/c1cccc(OC(=O)c2cccc3ccccc23)c1 408894975 LHZKWVYRQLCIOU-CIAFOILYSA-N 349.415 3.226 30 40 EGEB CN(CC(=O)Nc1sc2c(c1C#N)CCC2)Cc1cccs1 7847048 AYSVRKRUXICGCP-UHFFFAOYSA-N 331.466 3.240 30 40 EGEB O=c1c2ccccc2nc(O)n1N=Cc1ccc(-c2ccccc2)o1 409362913 TUHDDGLPLCDNRR-UHFFFAOYSA-N 331.331 3.244 30 40 EGEB Oc1ccc(/N=C/c2ccc(O)c(I)c2)cc1 408905558 ZGJBCZZWWMQXEL-OVCLIPMQSA-N 339.132 3.453 30 40 EGEB Cc1ccc2cc(C#N)c(NCCCNC(=O)c3ccco3)nc2c1 35315471 SFFQTIZYHYMJOW-UHFFFAOYSA-N 334.379 3.240 30 40 EGEB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(F)cc3)C2(C#N)C#N)cc1 218366736 KLGQLCVNOJYCMT-DLBZAZTESA-N 340.379 3.107 30 40 EGEB Cc1cc(=O)[nH]c(N/N=C\c2cccc(OCc3ccccc3)c2)n1 31667483 WOZRUJSFTFVTTJ-NDENLUEZSA-N 334.379 3.103 30 40 EGEB Cc1cccc2c1/C(=N/O)C(=O)N2CCOc1ccc(Cl)cc1 46085135 GYPPCWHZVASRNV-MNDPQUGUSA-N 330.771 3.252 30 40 EGEB CC(=O)Oc1ccc(/C=C2\SC(=N)[C@H](c3nccs3)C2=O)cc1 136772895 RNZLTNOPARROQG-CBZGGUPYSA-N 344.417 3.486 30 40 EGEB COc1ccc([C@@H]2CCCN2c2nnc(C)c(C)c2C#N)c(OC)c1 24054854 NCENBWOGDRDHRF-KRWDZBQOSA-N 338.411 3.324 30 40 EGEB C#C[C@@](C)(CC)NC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1 4622198 ILUGJIRBUKBUSK-MHZRJXOASA-N 346.430 3.376 30 40 EGEB N#Cc1cccnc1N1C[C@@H]2CN(c3ccnc4ccccc34)C[C@@H]2C1 2086868883 VJFZNUGDNOTAQS-CALCHBBNSA-N 341.418 3.074 30 40 EGEB C#CCn1/c(=N/C(=O)COc2ccccc2)sc2cc(C)ccc21 100875085 NABRHSGMILMGKZ-VXPUYCOJSA-N 336.416 3.151 30 40 EGEB CCOc1ccc2cc(C#N)c(SCC(=O)N3CCCC3)nc2c1 417088 LQGGNISMXRKUFM-UHFFFAOYSA-N 341.436 3.220 30 40 EGEB COc1ccc(CCNc2oc(-c3ccco3)nc2C#N)cc1OC 539817 QSRXVEWIHCIHOB-UHFFFAOYSA-N 339.351 3.478 30 40 EGEB CC(C)[C@H]1O[C@]2(C)OC(=N)[C@]1(C#N)C(C#N)(C#N)[C@H]2c1ccccc1 100800283 LDYURYAXCISGAL-BUIAKZPTSA-N 334.379 3.092 30 40 EGEB N#Cc1cccc(CN(Cc2nnsc2Cl)C[C@H]2CCCO2)c1 48331474 IPCWBRWHEXQMAF-CQSZACIVSA-N 348.859 3.244 30 40 EGEB COc1ccc(/C(C)=N/N=c2/sc3ccccc3n2C)c(O)c1 38186761 ILYCILWGEUJXAT-HIIRIOHQSA-N 327.409 3.279 30 40 EGEB CN1C(=O)C[C@H](C(=O)Nc2ccccc2)S/C1=N\c1ccccc1 4897707 SHRXNGRLVPMQQC-MEUCICPISA-N 339.420 3.277 30 40 EGEB C(=N/Nc1ncnc2sc3c(c12)CCC3)\c1ccc2c(c1)OCO2 7158282 PYNDQPRONILMNO-IFRROFPPSA-N 338.392 3.355 30 40 EGEB C[C@@H](NC[C@@H](c1cccs1)N1CCOCC1)c1ccc(C#N)cc1 72287936 QMGLUPVGKNJVMS-QAPCUYQASA-N 341.480 3.344 30 40 EGEB N#Cc1ccc(S(=O)(=O)Nc2ccc3ncccc3c2)c(F)c1 95447429 DABTZGNEBIVNNZ-UHFFFAOYSA-N 327.340 3.046 30 40 EGEB C[C@H](NCc1nnc2n1CCC[C@@H]2C(F)(F)F)c1ccc(C#N)cc1 89904753 UWJGBQLJVYPEKF-FZMZJTMJSA-N 349.360 3.440 30 40 EGEB CC[C@@H](C)Oc1cccc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 409406901 RNNBKGMBDMJLAR-YOQCSXPPSA-N 338.407 3.005 30 40 EGEB C#CCOC(=O)/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 216887787 FPQLXRFZPLUIPI-KPKJPENVSA-N 337.331 3.363 30 40 EGEB N#Cc1cc(Br)cnc1N1CCC[C@@H]1[C@@H]1CCCOC1 567768425 NFUVRRJQBQOWHD-BXUZGUMPSA-N 336.233 3.111 30 40 EGEB Cc1cccc(Nc2ccccc2C(=O)ON2C(=O)CCC2=O)c1C 329788034 BNHHSCSPHYCPCD-UHFFFAOYSA-N 338.363 3.268 30 40 EGEB N#Cc1ccsc1N1CC[C@H](Nc2cnn(-c3ccccc3)c2)C1=O 97102884 ISWVFDBBBFCTDX-INIZCTEOSA-N 349.419 3.023 30 40 EGEB COc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@H]2C#N)cc1 252514100 BESUSWDQCYIADA-GVDBMIGSSA-N 347.823 3.428 30 40 EGEB N#Cc1cccc(C(=O)NCc2ccc(C(=O)c3ccco3)s2)c1 96119783 PEFRLMMNVVFFAX-UHFFFAOYSA-N 336.372 3.374 30 40 EGEB C#CCN(Cc1cccc(C)n1)Cc1nc2cc([N+](=O)[O-])ccc2o1 84229416 PYWPDNNOLSOUFJ-UHFFFAOYSA-N 336.351 3.075 30 40 EGEB CN(C)c1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1 20228449 LISUACHQUNPFFP-UHFFFAOYSA-N 336.435 3.454 30 40 EGEB CN(C)CCO/N=C(/c1ccncc1)c1ccc(Br)cc1 2843037 ATDOHDYSWKZJGG-KNTRCKAVSA-N 348.244 3.175 30 40 EGEB S=C1N(c2ccccc2)CN(CCS)CN1c1ccccc1 10325174 KJLLEUAKZXVWGY-UHFFFAOYSA-N 329.494 3.445 30 40 EGEB N#Cc1ccc(CN2CCC(NC(=O)C3CCCCC3)CC2)cc1 58394248 ROUXNXXSGUZOCQ-UHFFFAOYSA-N 325.456 3.219 30 40 EGEB COc1cccc([C@@H](CNC(=O)c2ccc(C#N)cc2)N2CCCC2)c1 14140147 NEKDSHODAWMHNI-HXUWFJFHSA-N 349.434 3.134 30 40 EGEB N#Cc1ccc(SCC(=O)NC[C@@H]2COc3ccccc3C2)cc1 65624213 CDZUOIIKVCULEH-OAHLLOKOSA-N 338.432 3.018 30 40 EGEB COc1ccc(-n2cccc2/C=N/Nc2ccc([N+](=O)[O-])cn2)cc1 4561889 QBIUJAMLUCRMKA-XDHOZWIPSA-N 337.339 3.235 30 40 EGEB CCNc1ccccc(C(=O)/C=C/c2cc(OC)ccc2OC)c1=O 4667361 HZYDBNKRDWOZHN-PKNBQFBNSA-N 339.391 3.392 30 40 EGEB O=[N+]([O-])c1cccnc1N/N=C/c1cccn1-c1ccc(F)cc1 409094054 CNOIESCKHNTMKK-YBFXNURJSA-N 325.303 3.366 30 40 EGEB S=C(NC[C@H]1CCCO1)NN=C(c1ccccc1)c1ccccc1 7571137 SEFRUNOTMDFFHG-QGZVFWFLSA-N 339.464 3.082 30 40 EGEB N#Cc1ccc(OCC(=O)OCC(=O)c2ccc(Cl)s2)cc1 8010483 YUSYSNURNPIJGN-UHFFFAOYSA-N 335.768 3.078 30 40 EGEB Cn1cc(-c2ncc(C(=O)[C@H](C#N)c3nc4ccccc4o3)s2)cn1 71899856 WNSGHMBMKZGZLR-NSHDSACASA-N 349.375 3.175 30 40 EGEB C=CC[C@H](NC(=O)c1nn(-c2ccccc2)cc1OC)c1ccncc1 72285355 JZJCVWXQWQTAIQ-KRWDZBQOSA-N 348.406 3.323 30 40 EGEB C=CCOc1ccc(NC(=S)NCc2ccc3c(c2)OCO3)cc1 225377514 MNDIYKKHUNXEJW-UHFFFAOYSA-N 342.420 3.467 30 40 EGEB N#Cc1ccc(S(=O)(=O)/N=C(\O)C[C@H]2CCc3ccccc32)cc1 96407054 AWQNDSXALGEOEK-OAHLLOKOSA-N 340.404 3.324 30 40 EGEB C#C[C@H](NC(=O)c1cccc(SC(F)(F)F)c1)[C@H]1CCCO1 583651835 UBVWEBNZSIHDEU-QWHCGFSZSA-N 329.343 3.209 30 40 EGEB C=CC1CCN(C(=O)NCc2cccc(C(=O)N3CCCC3)c2)CC1 95395148 VQCVFWCNGMUCAT-UHFFFAOYSA-N 341.455 3.030 30 40 EGEB CCn1nccc1/C=C1\CC(C#N)C/C(=C\c2ccnn2CC)C1=O 585135766 AQTSTMSDTSZRPT-JOBJLJCHSA-N 335.411 3.089 30 40 EGEB CCn1c(=O)c(/C=N/c2cccc(C(=O)O)c2)c(O)c2ccccc21 19418370 GZUIWGLPLFIUTJ-RGVLZGJSSA-N 336.347 3.176 30 40 EGEB O=C1CS/C(=N\N=C\c2cccc([N+](=O)[O-])c2)N1c1ccccc1 5375953 VIOLUHUDMBGGNU-IUMGADTDSA-N 340.364 3.065 30 40 EGEB Cc1cc(C)c(C#N)c(N2CCC[C@H](N(C)C(=O)C(C)(C)C)C2)n1 2087130855 OBCDAVCGXOURIF-HNNXBMFYSA-N 328.460 3.043 30 40 EGEB CN(C)CCN(Cc1ccccc1F)C(=O)Nc1cccc(C#N)c1 40150528 KLVNWBYHLORVPK-UHFFFAOYSA-N 340.402 3.293 30 40 EGEB Cc1ccc(CNC(=O)[C@@H](C#N)C(=O)CCc2ccsc2)cc1 101162177 PXOYEEMNVCLANN-INIZCTEOSA-N 326.421 3.014 30 40 EGEB CC(C)(C)NC(=O)[C@@H](OC(=O)c1cccs1)c1ccc(C#N)cc1 4982342 SHWXRNGVINVCDI-HNNXBMFYSA-N 342.420 3.433 30 40 EGEB CCOC(=O)/C(=N\Nc1ccc(Br)cc1)N[C@H](C)CC 3186258 ZFUGDUSCIRAKFG-SNVBAGLBSA-N 342.237 3.126 30 40 EGEB CCCCS[C@H](C)/C(O)=N/S(=O)(=O)c1ccc(C#N)cc1 58225145 QZSBXKJXLBJGQN-LLVKDONJSA-N 326.443 3.125 30 40 EGEB N#Cc1c(Cl)nsc1N1CCC[C@@H](c2nnc3ccccn23)C1 44944588 FCJABSLFXAZUIA-SNVBAGLBSA-N 344.831 3.095 30 40 EGEB C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1cccs1 2358015 BHVBNDGKICISCK-CQSZACIVSA-N 348.449 3.128 30 40 EGEB COc1ccc([S@@](=O)c2ccc(NC(=O)C3CC3)cc2C#N)cc1 4084387 MWPXOEJXBHKXOV-DEOSSOPVSA-N 340.404 3.082 30 40 EGEB C=CCOc1ccc(/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)cc1 14242780 XXCLIGMIANCERM-WEVVVXLNSA-N 335.359 3.478 30 40 EGEB Cc1cc(C)c(C#N)c(SCC(=O)N(C)Cc2ccccc2F)n1 7096877 ZZSNFAONZYUGCW-UHFFFAOYSA-N 343.427 3.460 30 40 EGEB COc1ccc(-c2cs/c(=N\N=C\c3ccccc3O)[nH]2)cc1 8487674 CWIQHSYQBPESLH-VCHYOVAHSA-N 325.393 3.392 30 40 EGEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ncccc1Br 72298210 LDEVYIJFUBJPCM-SNVBAGLBSA-N 346.184 3.122 30 40 EGEB N#Cc1cc(F)c(NCc2ccc(COCCO)c(F)c2)c(F)c1 95394301 FKRGILFXQQEBNG-UHFFFAOYSA-N 336.313 3.097 30 40 EGEB Cc1nc2sc3c(c2c(=O)n1/N=C/c1cccc(O)c1)CCCC3 408719482 PVVKHPGWZJJTAE-VXLYETTFSA-N 339.420 3.233 30 40 EGEB C=CCN(CC=C)S(=O)(=O)c1ccc(Cl)c(Cl)c1OC 31903952 FPWMDHDYVRNZQM-UHFFFAOYSA-N 336.240 3.365 30 40 EGEB Cc1csc(C(C)(C)NCC(=O)Nc2cc(Cl)ccc2C#N)n1 72662904 MOGVNYSBQDSLAH-UHFFFAOYSA-N 348.859 3.440 30 40 EGEB C[C@@]1(N/C(O)=N/C2[C@H]3CC[C@H]2Cc2ccccc2C3)CCCOC1 329698079 FKWWAPGPUASPOI-ABSDTBQOSA-N 328.456 3.253 30 40 EGEB N#Cc1cc(Br)c(F)c(I)c1 575688888 WROBOBGPTZFAPL-UHFFFAOYSA-N 325.906 3.064 30 40 EGEB CC1=NN(c2ccccc2)C(=O)/C1=N/Nc1ccc(C)c([N+](=O)[O-])c1 100005573 NQNLWXXWZCKDIW-KNTRCKAVSA-N 337.339 3.094 30 40 EGEB Cc1ccc(C)c2nc(SCC(=O)N3CCCC3)c(C#N)cc12 410669 JQXLIYIUQKFZGN-UHFFFAOYSA-N 325.437 3.438 30 40 EGEB Cc1ccnc(-c2cccc(NC(=O)COc3ccc(C#N)cc3)c2)n1 78813451 CJICQZLHCRSSFO-UHFFFAOYSA-N 344.374 3.341 30 40 EGEB C[C@@H](S[C@H]1CCCN(c2cnn(C)c2)C1=O)c1ccc(C#N)cc1 78936092 DOQDBIYAYFVCAP-DYVFJYSZSA-N 340.452 3.282 30 40 EGEB CC(=O)Nc1ccc(/C=N/OCCOc2ccccc2C(C)=O)cc1 32957965 FUGUOKBZLYPMTH-DEDYPNTBSA-N 340.379 3.277 30 40 EGEB CCOc1ccc([C@H]2[C@@H](C#N)C(=O)Nc3nc4ccccc4n32)cc1 20637391 JBMAANWKNVCDBM-PBHICJAKSA-N 332.363 3.116 30 40 EGEB C[C@H]1C[C@@]2(C)C(=CC1=O)CC[C@H]1[C@@H]3CC[C@@](C)(O)[C@@]3(C)C[C@H](O)[C@@H]12 118934953 QYTBFAIVLHMSQG-ZEPSAVMZSA-N 332.484 3.486 30 40 EGEB C=CCN(Cc1cccs1)CN1C(=O)NC2(CCC(C)CC2)C1=O 14188861 NEUQTBXFQVHYHY-UHFFFAOYSA-N 347.484 3.194 30 40 EGEB C=CCCO[C@H](C)C(=O)N(C)[C@H](c1cccc(F)c1)c1cnn(C)c1 72291354 LILVWBLMKDMAHY-RDTXWAMCSA-N 345.418 3.088 30 40 EGEB C[C@H](Nc1cnn(-c2ccccc2)c1)C(=O)Nc1cccc(C#N)c1 95942167 SUWHZZHHWHUFPK-AWEZNQCLSA-N 331.379 3.183 30 40 EGEB COc1ccc(CS(=O)(=O)c2ccc(C#N)cc2Cl)cc1F 95974095 GBMQFOFMDMZCJN-UHFFFAOYSA-N 339.775 3.333 30 40 EGEB COc1cc2c(cc1/C=N/Nc1ccc(C(F)(F)F)cn1)OCO2 409067460 DFEPLAHUNOGBLZ-CGOBSMCZSA-N 339.273 3.284 30 40 EGEB COc1ccc([C@@H]2[C@H](C#N)[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1 218106771 OXOYUCWPLXEMDI-KSZLIROESA-N 327.405 3.083 30 40 EGEB N/C(=N\c1ccc(Cl)cc1)Nc1nc(=O)c2ccccc2s1 40385340 KYQDNPJFWHJXGU-UHFFFAOYSA-N 330.800 3.368 30 40 EGEB N#Cc1ccccc1NC(=O)COc1ccc(Br)cc1 512459 QIWVZQKSMVEUDV-UHFFFAOYSA-N 331.169 3.338 30 40 EGEB N#Cc1ccccc1NC(=O)c1ccc(=O)n(Cc2cccc(F)c2)c1 7573822 IMMUSUKSSGKIOO-UHFFFAOYSA-N 347.349 3.160 30 40 EGEB C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2ccc(C#N)cc2)C1=O 2626814 UHJSHUUEQCDIGJ-SFHVURJKSA-N 339.782 3.179 30 40 EGEB COc1ccc(C(=O)[C@@H](C#N)C(=O)c2ccoc2C)cc1OC(F)F 103259721 GBFLLCUBSLYVAC-GFCCVEGCSA-N 349.289 3.403 30 40 EGEB N#Cc1cc(F)c(N2CCC[C@H](c3nnc4ccccn34)C2)c(F)c1 58224969 VANWBZBJJWIECY-ZDUSSCGKSA-N 339.349 3.263 30 40 EGEB COc1cccc(/C=C(\C)C(=O)c2c(C)cc(C)[nH]c2=O)c1OC 5123844 FGGAVQHQJCHQIE-ZRDIBKRKSA-N 327.380 3.295 30 40 EGEB biogenic Cc1cc(C)n(CC(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)n1 66392188 WQDLBYDWKQCRSA-ZDUSSCGKSA-N 337.210 3.188 30 40 EGEB Cc1cc(N/N=C/c2ccc(N(C)C)cc2)nc(N2CCCCC2)n1 4811344 HUSPZVBBYCFZMF-XSFVSMFZSA-N 338.459 3.287 30 40 EGEB CC(=O)c1ccccc1OCCO/N=C/c1ccccc1[N+](=O)[O-] 32957774 HYZLITVRIUNKKN-LDADJPATSA-N 328.324 3.227 30 40 EGEB COC[C@@H](NC(=O)c1ccc(C#N)cn1)c1cccc(C(F)(F)F)c1 96411032 FCUDURSEMSDXGN-OAHLLOKOSA-N 349.312 3.090 30 40 EGEB C[C@H](/N=C(/NC[C@H](O)c1ccccc1F)NC1CC1)c1cccs1 75583416 DWIDMQOEDUFYML-LRDDRELGSA-N 347.459 3.379 30 40 EGEB C#CCN1C(=O)S/C(=C/c2cc(Cl)cc(Cl)c2O)C1=O 6300469 GQFSZBPECNTXGW-BJMVGYQFSA-N 328.176 3.369 30 40 EGEB N#Cc1c(C(F)(F)F)cc(N2CCOCC2)n2c1nc1ccccc12 521273 YTWUAGBMZFRMII-UHFFFAOYSA-N 346.312 3.215 30 40 EGEB N#Cc1ccc(Cl)cc1NC(=O)c1ccc(N2CCCCC2)nn1 75172656 GZLIKUWYNSCHNX-UHFFFAOYSA-N 341.802 3.244 30 40 EGEB COc1ccc([C@@H]2Sc3nncn3N2Cc2ccc(C#N)cc2)cc1 215957 FTDGQBYBKVZDRF-KRWDZBQOSA-N 349.419 3.101 30 40 EGEB O=C1N/C(=N/N=C\c2cccs2)S[C@@H]1Cc1ccc(F)cc1 4866454 FVJDHQXBYPVFCY-ZLYHGVDXSA-N 333.413 3.051 30 40 EGEB C=C(Br)COC(=O)Cc1csc(-c2ccccn2)n1 60879395 CBZWTRLHXKVFNQ-UHFFFAOYSA-N 339.214 3.199 30 40 EGEB CC(C)NC(=O)[C@@H](C#N)C(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 102401455 MZUCKFFHRHGRJA-RISCZKNCSA-N 340.345 3.432 30 40 EGEB Cc1sc2ncnc(SCC(=O)N[C@](C)(C#N)C(C)C)c2c1C 2639266 GOPLYNGYWXKXNV-MRXNPFEDSA-N 348.497 3.455 30 40 EGEB CCN(CC)c1ccc(/C=N/n2c(C)nc3ccccc3c2=O)cc1 3292766 HHSTWSZEUBPLGU-KGENOOAVSA-N 334.423 3.433 30 40 EGEB O=C(/C=C/c1ccccc1)/C=C1/Nc2ccc([N+](=O)[O-])cc2OC1=O 100476755 JTXVFZKNMFPVBU-IAPFJDDYSA-N 336.303 3.092 30 40 EGEB C=CCNC(=O)c1ccccc1NC(=O)CCc1ccccc1F 29763004 YNGCSWQAPLDIOT-UHFFFAOYSA-N 326.371 3.313 30 40 EGEB CC(=O)c1ccc(S(=O)(=O)/N=C(\O)CCSCC(C)C)cc1 48473109 PSPLDTLBAKSRDF-UHFFFAOYSA-N 343.470 3.314 30 40 EGEB CC(=O)C(=NNc1ccc(-c2ccccc2)cc1[N+](=O)[O-])C(C)=O 5291019 SRIJFHZURXDVJE-UHFFFAOYSA-N 325.324 3.208 30 40 EGEB N#Cc1ccc(NCc2cccnc2N2CCOCC2)cc1Cl 65553929 CXPPSFMEEIAGMB-UHFFFAOYSA-N 328.803 3.055 30 40 EGEB COc1cc(C#N)ccc1O[C@H](C)C(=O)Nc1ccc(C)c(F)c1 7858440 ZWCLCRPQECSQNC-GFCCVEGCSA-N 328.343 3.420 30 40 EGEB COc1cc(C#N)ccc1OCc1ccc(C(=O)N2CCCC2)cc1 24835219 HIDKJRIROVCMMK-UHFFFAOYSA-N 336.391 3.382 30 40 EGEB N#CC1(C(=O)N2CC[C@H](OCCCc3ccccc3)C2)CCCC1 84528600 FWJQMCPSGZCYRK-SFHVURJKSA-N 326.440 3.321 30 40 EGEB CC[C@H](C)[C@H](NC(=O)c1cccc(CC#N)c1)C(=O)OC(C)(C)C 95440376 PTLOJYVMLHFEQY-BBRMVZONSA-N 330.428 3.239 30 40 EGEB Cc1nc(C(=O)Nc2c(-c3ccco3)nc3ccccn23)ccc1C#N 95964301 IABKGZFEGXGRDW-UHFFFAOYSA-N 343.346 3.422 30 40 EGEB Cc1ccc(/N=C\c2cn(CC(N)=O)c3ccccc23)cc1[N+](=O)[O-] 409386437 TXVJBMHMBMBUNL-UKWGHVSLSA-N 336.351 3.094 30 40 EGEB Cc1ccnc(-c2n[nH]c([C@H](C)/N=C(/O)[C@H](C)C3CCOCC3)n2)c1 330318184 QUESTEWNGQPFNX-OLZOCXBDSA-N 343.431 3.255 30 40 EGEB CC(=O)C1=CC[C@@H]2[C@H]3C[C@@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@]12C 97978680 BEFKCCRWGFBCTD-QLYZPEPASA-N 342.410 3.499 30 40 EGEB in-vitro C[C@H]1Cc2n[nH]cc2CN(c2ccc(C#N)c(Br)c2)C1 1652234296 XFAVZVAIUDLKOY-JTQLQIEISA-N 331.217 3.243 30 40 EGEB C=CCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1 5985583 HQVRXQNZXRFTQX-UHFFFAOYSA-N 344.436 3.020 30 40 EGEB Cc1nnc(NCCOc2cccc(C(F)(F)F)c2)c(C#N)c1C 52427474 ZRFHFFGDCUNLDJ-UHFFFAOYSA-N 336.317 3.475 30 40 EGEB C[C@@H](NCC(=O)NC1(C#N)CCCCC1)c1ccc(Cl)s1 97111472 AGSUNFQSVFGUQQ-LLVKDONJSA-N 325.865 3.395 30 40 EGEB CC(C)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccnc1 6015088 MNIFGHLMQCLYCS-QGZVFWFLSA-N 336.391 3.316 30 40 EGEB Cc1nn(CC(C)C)c(C)c1CC(=O)N(C)Cc1cccc(C#N)c1 25103100 VWTWZASEMFXGBD-UHFFFAOYSA-N 338.455 3.229 30 40 EGEB CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C 118929318 XEYDJPIWTXGAEZ-ATWVFEABSA-N 328.452 3.470 30 40 EGEB Cc1ccc(C)n1C1CCN(S(=O)(=O)c2cccc(C#N)c2)CC1 58290522 MFXTWZBIJHJTKW-UHFFFAOYSA-N 343.452 3.002 30 40 EGEB COc1cccc([C@@H]2NC(=O)N(C)C3=C2C(=O)CC(C)(C)C3)c1OC 28628074 UPTWIMWBEVTUCL-INIZCTEOSA-N 344.411 3.043 30 40 EGEB CC[C@H](C)N(C(=O)CSc1nc(C)nc(C)c1C#N)[C@H](C)CC 12893283 RPEMSMLXRAOXSE-TXEJJXNPSA-N 334.489 3.483 30 40 EGEB CO/N=C/Nc1ncc(-c2ncc(C(F)(F)F)cc2Cl)cn1 5320058 ZVONNMQCESZMEN-UHFFFAOYSA-N 331.685 3.212 30 40 EGEB C=CCc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(OC)c1O 409077104 COZCDKZAAROYOD-WJDWOHSUSA-N 335.359 3.474 30 40 EGEB C[C@@H](Oc1ccc(C#N)cc1Cl)C(=O)NC(=O)Nc1ccccc1 8984938 CFYSOTMRHLZSRP-LLVKDONJSA-N 343.770 3.327 30 40 EGEB COc1cccc(/N=C/c2cccc(OC)c2O[C@@H](C)C(=O)O)c1 409239386 PTNWQLAYMSNWSO-MKFNJMOCSA-N 329.352 3.306 30 40 EGEB C[C@H](NC(=O)N[C@H](C)C[C@@H](O)c1ccco1)c1cccc(C#N)c1 89895056 KSMFDXYKMMYYLQ-DVOMOZLQSA-N 327.384 3.024 30 40 EGEB C=CCNC(=O)[C@H]1[C@@H]2[C@H]1CC[C@]21CC(=O)c2cc(Cl)ccc2O1 248022854 VBHRUMJEJJKFRF-PUOKJFKWSA-N 331.799 3.002 30 40 EGEB COc1cc(/C=N\O)ccc1OCC(=O)Nc1cc(C)ccc1C 8369975 UCYISBXPSMRLON-GRSHGNNSSA-N 328.368 3.138 30 40 EGEB C=CCOc1ccccc1[C@@H]1S[C@H](C)C(=O)Nc2[nH]nc(C)c21 6678651 GTSSDCFGWYKVNQ-ABAIWWIYSA-N 329.425 3.446 30 40 EGEB C#CCN1CCC(C(=O)N2CCC[C@@H]2Cc2ccccc2Cl)CC1 58290509 SIBHTXZZAZRHDN-GOSISDBHSA-N 344.886 3.219 30 40 EGEB N#Cc1c(F)cccc1N1CCC(C(=O)Nc2nccs2)CC1 58341457 HYUXRMQHUHKHTM-UHFFFAOYSA-N 330.388 3.009 30 40 EGEB C=CCNc1nc(C(=O)OCC(=O)c2c[nH]c3ccccc23)cs1 3527728 ZQPUANVRGREGLX-UHFFFAOYSA-N 341.392 3.262 30 40 EGEB N#CCN(C(=O)COc1ccc2c(c1)CCCC2=O)c1ccccc1 69776290 BRCSKWNHHRLJTD-UHFFFAOYSA-N 334.375 3.141 30 40 EGEB C=CCn1c(Sc2ncnc3[nH]ccc23)nc2sccc2c1=O 65621382 GRWRHCVVKIZYOW-UHFFFAOYSA-N 341.421 3.067 30 40 EGEB CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2ccc(C(N)=O)cc2)cc1 66397144 HXXNSKYDCNXWBI-QGZVFWFLSA-N 335.407 3.078 30 40 EGEB C#CCOc1ccccc1CN1CCN(C(=O)C(C)(C)C)CC1(C)C 95467754 HUJCWPQCPVMHEU-UHFFFAOYSA-N 342.483 3.168 30 40 EGEB CCc1ccc(C)cc1OC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C 95451880 UGFKOAPGNKCWGE-UHFFFAOYSA-N 338.407 3.272 30 40 EGEB COc1ccc(S(=O)(=O)/N=C(\O)c2ccc(C)cc2C)cc1OC 61110844 RXFWXPSDCRZKCR-UHFFFAOYSA-N 349.408 3.014 30 40 EGEB CC1CCN(CCCNC(=S)Nc2ccc(CC#N)cc2)CC1 225435806 NCGUETMLHNTXLK-UHFFFAOYSA-N 330.501 3.161 30 40 EGEB COc1ccc(Cn2nc(OCc3ccccc3C)c(C#N)c2N)cc1 225848009 ICSMHMNHAJPNIZ-UHFFFAOYSA-N 348.406 3.281 30 40 EGEB CC(C)(C)OC(=O)Nc1ccnc([C@H](C#N)C(=O)OC(C)(C)C)c1 91352973 GRLAGFIOBSOJCO-LBPRGKRZSA-N 333.388 3.377 30 40 EGEB COc1cc(C=Nn2c(S)nnc2C2CCCCC2)ccc1O 252429362 HHAYYRULDOKMGA-UHFFFAOYSA-N 332.429 3.211 30 40 EGEB N#Cc1cc(F)cc(NC(=O)N2CC[C@H](CN3CCCCC3)C2)c1 603074389 JYPIUKUCWLXWHU-CQSZACIVSA-N 330.407 3.037 30 40 EGEB N#C[C@H](C(=O)CN1CCCCCCC1=O)c1nc2ccccc2s1 69702453 LJFLOZUQQCFLJU-CYBMUJFWSA-N 341.436 3.265 30 40 EGEB C[C@H]1CCCCN1CCCCNC(=O)CCc1ccc(C#N)cc1 46988545 RJDJRZGHDFVDDA-KRWDZBQOSA-N 327.472 3.262 30 40 EGEB CC(C)Cc1noc(CCCNc2ccc(C#N)cc2[N+](=O)[O-])n1 57993075 VYXXUECSQFRSEQ-UHFFFAOYSA-N 329.360 3.093 30 40 EGEB CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)C12CC3CC(CC(C3)C1)C2 10800859 PYHNIYYQNYZNLR-FTMGESSISA-N 346.471 3.189 30 40 EGEB N#CCc1ccc(NC(=O)CCc2nc(-c3ccsc3)no2)cc1 12889922 RCDIIVNYRMMTSI-UHFFFAOYSA-N 338.392 3.435 30 40 EGEB N#CCCn1cc(/C=C/C(=O)O)c(-c2cccc(Br)c2)n1 5972800 FSMIILJBKOFIOM-AATRIKPKSA-N 346.184 3.324 30 40 EGEB CCn1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccn2)c2ccccc21 138942483 VFQRHMPYSHIYFO-AWEZNQCLSA-N 332.363 3.017 30 40 EGEB C#CCOc1cccc([C@@H](C)NC(=O)Cc2csc(CC)n2)c1 69813818 MYKRBGKDGJPFJH-CYBMUJFWSA-N 328.437 3.137 30 40 EGEB Cc1nc2ccccc2c(=O)n1/N=C/c1ccc2ccccc2c1O 535319 NSAWECSBDKFMHX-CIAFOILYSA-N 329.359 3.446 30 40 EGEB N#Cc1ccccc1S(=O)(=O)N[C@@H](c1ccccc1)c1ccccn1 25658172 AINSJCLJYZFEMB-IBGZPJMESA-N 349.415 3.021 30 40 EGEB COCCOc1ccc(C(=O)/C=C/c2cccc(O)c2)cc1OC 44027621 SUMZIGLUBZUHKM-SOFGYWHQSA-N 328.364 3.322 30 40 EGEB C=CCNc1nc(Nc2ccc(OC)c(Cl)c2)c2cnn(C)c2n1 4374887 AIUWONVQFLIYCK-UHFFFAOYSA-N 344.806 3.367 30 40 EGEB Cc1cccc(C)c1NC(=O)COC(=O)c1ccc(C#N)cc1F 409211847 KINYZUYWCGYJRY-UHFFFAOYSA-N 326.327 3.110 30 40 EGEB COC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1C 9482771 REUYKQUPLKZRRE-LBPRGKRZSA-N 328.412 3.123 30 40 EGEB C=CCCO[C@@H](C)C(=O)N(Cc1ccco1)Cc1ccccc1O 71914173 YTPQSXVUFMSECQ-HNNXBMFYSA-N 329.396 3.495 30 40 EGEB CC(=O)NCCCSCc1ccc(C#N)cc1Br 97046901 VGYZAGBAVJFVAK-UHFFFAOYSA-N 327.247 3.080 30 40 EGEB N#C[C@H](Cc1ccccc1)NC(=O)Cc1ccccc1C(F)(F)F 89829935 UAVMTAYXHYWKQL-HNNXBMFYSA-N 332.325 3.499 30 40 EGEB CCCCCCCCCCCC(=O)N[C@H](CCC(=O)O)C(=O)O 85808238 AVBJHQDHVYGQLS-CQSZACIVSA-N 329.437 3.342 30 40 EGEB C#Cc1cccc(NC(=O)/C=C/C(=O)N2CCCc3ccccc32)c1 48236284 RTYSAZLEBGZPEB-OUKQBFOZSA-N 330.387 3.142 30 40 EGEB N#CCC(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 195567528 MIFDXKSXEAADNU-UHFFFAOYSA-N 333.800 3.184 30 40 EGEB Cc1c(CNS(=O)(=O)Cc2cccc(C#N)c2)oc2ccccc12 96406694 WGIUSYJLQMXUSP-UHFFFAOYSA-N 340.404 3.233 30 40 EGEB N#Cc1c(COC(=O)c2cc(Br)c[nH]2)cn2ccccc12 14854283 GHUHGGOCTTUGFZ-UHFFFAOYSA-N 344.168 3.259 30 40 EGEB C=CC/N=C1\S/C(=C\c2ccc(N(C)C)cc2)C(=O)N1CC=C 15978909 LRFRNQSODLHFTP-PIVKVMHHSA-N 327.453 3.397 30 40 EGEB C/C(=N/NS(=O)(=O)c1ccc(C)cc1)c1c[nH]c2ccccc12 32578365 OGPRUWHICIDGEX-UYRXBGFRSA-N 327.409 3.179 30 40 EGEB COc1ccc(C(=O)/C=C2\Nc3ccc(Cl)cc3NC2=O)cc1 104238086 IRMJMNFQLKMQOA-DHDCSXOGSA-N 328.755 3.479 30 40 EGEB O=c1cn[nH]c(=S)n1/N=C/c1c(Cl)ccc(Cl)c1Cl 5182329 NQMAUYUKFZZCCQ-CRKCGEKBSA-N 335.603 3.143 30 40 EGEB N#CCCN(CCO)CCCCOc1ccccc1C(F)(F)F 72309012 UJUGLQQFTJGLFM-UHFFFAOYSA-N 330.350 3.072 30 40 EGEB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](C=O)[C@@H]2c2ccc(Cl)cc2)cc1 218634786 JEMOGBHFOPSGNU-YESZJQIVSA-N 334.824 3.403 30 40 EGEB CCCSC/C(O)=N/S(=O)(=O)c1ccc(C#N)c(Cl)c1 78612368 XNERFINMJUZTSK-UHFFFAOYSA-N 332.834 3.000 30 40 EGEB O=C1Nc2c(F)cccc2/C1=N/Nc1ccc(Br)cc1 223758624 MSOOAKDOHODQAK-UHFFFAOYSA-N 334.148 3.357 30 40 EGEB N#CCSc1ccccc1NC(=O)CN1CCC[C@@H]1c1ccc[nH]1 96443277 DUDUDEXUFWQAOD-MRXNPFEDSA-N 340.452 3.406 30 40 EGEB C=CCNC(=O)c1ccc(NC(=O)NCCc2cccs2)cc1 48149627 UWQFQNMOOQGRFO-UHFFFAOYSA-N 329.425 3.028 30 40 EGEB CC/C(=N/NS(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1 17109873 DJQLNQZGMGAODV-ZCXUNETKSA-N 332.425 3.096 30 40 EGEB N#Cc1ccc(N2C[C@@H]3CCN(Cc4ccc5[nH]ccc5c4)[C@H]3C2)nc1 1889205951 GJWWGSOFDHZUBA-ICSRJNTNSA-N 343.434 3.145 30 40 EGEB N#Cc1cc2c(N)c(C(=O)Nc3cccc(Cl)c3)sc2nc1N 20131056 BTLXHQNRIPYZNW-UHFFFAOYSA-N 343.799 3.238 30 40 EGEB CC(C)n1ccc(C(=O)[C@@H](C#N)C(=O)Nc2cccc(Cl)c2)n1 101112068 VLXAZYUCLVXEAI-CYBMUJFWSA-N 330.775 3.079 30 40 EGEB Cc1ccc(OCc2nc(C#N)c(N3C[C@H](C)O[C@@H](C)C3)o2)cc1 108690 STCVSAJKSOLTLV-KBPBESRZSA-N 327.384 3.047 30 40 EGEB C=CCc1ccc(OC[C@@H](O)CN2[C@@H](C)CCC[C@@H]2C)c(OC)c1 4173839 BUXZZUGYOMPIKM-BQFCYCMXSA-N 333.472 3.426 30 40 EGEB C=CCN1C(=O)/C(=C/c2ccc(OC)c(OCC)c2)SC1=S 33337760 HUGKIBOIHQQYFT-UVTDQMKNSA-N 335.450 3.481 30 40 EGEB COc1cc(CN(C(=O)Nc2ccc(C#N)cc2)C2CC2)ccc1O 56502105 LSMADXYQYLAAFW-UHFFFAOYSA-N 337.379 3.469 30 40 EGEB CC1=NN(c2ccccc2)C(=O)/C1=N\Nc1ccc(OC(F)F)cc1 12625370 OSFRPHDOZVWFRN-QNGOZBTKSA-N 344.321 3.479 30 40 EGEB CSc1nc2n(n1)[C@H](c1cccc(F)c1)C1=C(C[C@H](C)CC1=O)N2 22608396 VRQFHMCAQHQYJX-BJOHPYRUSA-N 344.415 3.407 30 40 EGEB COc1cc(N2CCOCC2)ccc1/C=N\c1ccc2c(c1)OCO2 409220566 BOMINNSHGJDFMM-NDENLUEZSA-N 340.379 3.011 30 40 EGEB Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CCC#N)c1ccccc1 69845373 ZXEKWCPIYZMADA-UHFFFAOYSA-N 345.380 3.012 30 40 EGEB Cc1ccccc1/N=C1/NC(=O)[C@@H](Cc2ccccc2[N+](=O)[O-])S1 13477815 ZZJKFWRMDZTKAA-OAHLLOKOSA-N 341.392 3.365 30 40 EGEB C=CCN1c2ccccc2N[C@@H]2[C@H]1[C@H](C(C)=O)C(=O)N2c1ccccc1 4624361 DDDSBDPXUPSYNO-ZCNNSNEGSA-N 347.418 3.051 30 40 EGEB N#Cc1ccc(OCC(=O)NCc2cccc(C(F)(F)F)c2)cc1 8186170 FDJCJYXXNUQDOV-UHFFFAOYSA-N 334.297 3.272 30 40 EGEB C#CCN1C(=O)S/C(=C/c2ccc(N(CC)CC)cc2OC)C1=O 409049820 XSQSXPHOQFYYKE-LFIBNONCSA-N 344.436 3.211 30 40 EGEB C=CCc1cc(C(=O)NCCOc2ccc(F)cc2)ccc1OC 224127100 WKMPQFSRVPECBO-UHFFFAOYSA-N 329.371 3.372 30 40 EGEB CCCS(=O)(=O)/N=C(O)/C=C/c1cc(Br)cs1 96442352 VZZZPMXZSASBEF-ONEGZZNKSA-N 338.248 3.220 30 40 EGEB CC(C)(C)OC(=O)N1CCC[C@@H]1COc1ccc(C=O)cc1C#N 575423712 QTPUDFWHAHQSGH-OAHLLOKOSA-N 330.384 3.149 30 40 EGEB N#Cc1cccnc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1 97104531 BICKDZFXKAVWGL-UHFFFAOYSA-N 328.180 3.061 30 40 EGEB CCCCOCCCN1CC(=O)C(c2nc3ccccc3s2)=C1N 5010624 AFQUVCJQWUEWSE-UHFFFAOYSA-N 345.468 3.015 30 40 EGEB CCOc1ccc(S(=O)(=O)/N=C2\C=CC(=O)c3ccccc32)cc1 18068718 JTVQYPFKKQDBIX-HTXNQAPBSA-N 341.388 3.016 30 40 EGEB CC/N=C1\S[C@H](C(=O)Nc2cccc(Cl)c2)CC(=O)N1CC 100203568 XGQLTKNFSZOXLH-JTFSYWPOSA-N 339.848 3.008 30 40 EGEB COc1cc(C#N)ccc1O[C@H](C)C(=O)Nc1ccc(C)cc1F 21618413 VWILWLZNKJCDMN-GFCCVEGCSA-N 328.343 3.420 30 40 EGEB Cc1cc(C(F)(F)F)nc(SCC(=O)NC(C)(C)C)c1C#N 501112 PLFFZIQBEOPKJZ-UHFFFAOYSA-N 331.363 3.287 30 40 EGEB N#C[C@H](C(=O)COc1ccc(F)cc1)C(=O)Nc1ccccc1Cl 103504490 PRYGVDCWVGOCLN-CYBMUJFWSA-N 346.745 3.205 30 40 EGEB CCCCCCCCCOC(=O)C[n+]1csc(CCO)c1C 8687228 KRXPUGLBXDGQMM-UHFFFAOYSA-N 328.498 3.173 30 40 EGEB CN(CC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)c1ccccc1 24678686 DYOJKNAQZIKCKJ-MRXNPFEDSA-N 328.375 3.360 30 40 EGEB N#Cc1cc(N2CCC(Nc3cccnn3)CC2)ccc1C(F)(F)F 97144803 QPXRCMTUELTBDO-UHFFFAOYSA-N 347.344 3.448 30 40 EGEB COc1cccc(-c2nnc(SCC#N)n2Cc2ccco2)c1 5877902 AKCPPTMEQQBJSU-UHFFFAOYSA-N 326.381 3.211 30 40 EGEB Cc1c(/C=C/c2ccc(F)c(Br)c2)n[nH]c(=O)c1C#N 7325054 JXTIUQXTZSPZEU-HWKANZROSA-N 334.148 3.022 30 40 EGEB COc1ccccc1[C@H](C#N)NC(=O)CCn1c(C)nc2ccccc21 97097197 SVFFQNVWSDQTKQ-KRWDZBQOSA-N 348.406 3.125 30 40 EGEB CC(C)c1nc([C@@H]2CCCN(C(=O)C3(C#N)CCCCC3)C2)no1 72232086 MWANYAXAEBLPMF-CQSZACIVSA-N 330.432 3.373 30 40 EGEB Cc1nc(NC(=O)c2ccc(C)c(F)c2)n(-c2ccc(C#N)cc2)n1 72292773 XPOOSIVGLDWHMS-UHFFFAOYSA-N 335.342 3.147 30 40 EGEB N#Cc1ccc(O[C@H]2CCN(c3nc(C4CCCC4)ns3)C2)nc1 518954679 TZNYOVJCMMOTGS-AWEZNQCLSA-N 341.440 3.120 30 40 EGEB C=C[C@H](C)N1C(=O)S/C(=C/c2cc3c(cc2OC)OCO3)C1=O 409085614 DYHPZXUEMRYNCV-RGEMTFFCSA-N 333.365 3.035 30 40 EGEB CC(=O)N(c1nc(CNc2ccc(CC#N)cc2)cs1)C1CC1 185150623 PCXAFNASLYTOKJ-UHFFFAOYSA-N 326.425 3.337 30 40 EGEB N#CC1(C#N)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218054566 NHEULVPMMNQAKI-CVEARBPZSA-N 342.807 3.313 30 40 EGEB CC(C)Oc1cccc(Cn2cc(B3OC(C)(C)C(C)(C)O3)cn2)c1 585672357 BJBGIGRCZBCZCQ-UHFFFAOYSA-N 342.248 3.018 30 40 EGEB C#CCCC1(CCC(=O)N[C@H](C)c2cc(C(=O)O)ccc2C)N=N1 1616031308 KMHMCTIBFPONID-CYBMUJFWSA-N 327.384 3.226 30 40 EGEB N#Cc1ccc(S(=O)(=O)N2CCc3sccc3C2)cc1Cl 59827041 IDYGIAKZBZGQKV-UHFFFAOYSA-N 338.841 3.020 30 40 EGEB FC(F)(F)C(F)(F)C(F)(F)CNc1nc(Cl)nc(Cl)n1 2379316 SFKIGTXMFFRXIY-UHFFFAOYSA-N 347.021 3.423 30 40 EGEB COc1cc(C(=O)n2cc(C#N)c3ccccc32)cc(OC)c1OC 226361619 GMUVMUBGUNZHCA-UHFFFAOYSA-N 336.347 3.227 30 40 EGEB N#Cc1ccc(CN2CCC[C@@H](COc3ccncc3)C2)c(F)c1 1776001164 BQPUIAHXYASARD-MRXNPFEDSA-N 325.387 3.383 30 40 EGEB COc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@H]2c2ccccc2F)cc1 5686972 IVEINLILFNDPTH-INIZCTEOSA-N 341.338 3.042 30 40 EGEB COc1cc2c(OC)c(c1)CCCC1=CC(=O)C=C(CCC2)C1=O 1580033 VCEDWTLHLIZOJL-UHFFFAOYSA-N 326.392 3.367 30 40 EGEB N#Cc1ccc(N2CCC(NC(=O)c3cccc4cc[nH]c34)CC2)cc1 79809473 ZVBHPMYEPFWNTC-UHFFFAOYSA-N 344.418 3.438 30 40 EGEB CC(C)(C)NC(=O)c1ccc(C(=O)[C@H](C#N)C(=O)c2ccco2)cc1 103664564 ATRNKUGRGIPPAL-AWEZNQCLSA-N 338.363 3.013 30 40 EGEB N#Cc1c(Cl)nsc1NCC(=O)N1CCCc2ccccc21 57151056 JSVNSPOXBUJGGO-UHFFFAOYSA-N 332.816 3.059 30 40 EGEB N#CC1CCN(C(=O)NCc2cccc(OCC(F)(F)F)c2)CC1 57991678 NXAQWUQUVMYPFJ-UHFFFAOYSA-N 341.333 3.073 30 40 EGEB C[C@@H](Nc1cccc(F)c1C#N)c1ccc(S(=O)(=O)N(C)C)cc1 58245576 CAAKRYIZCKDQBV-GFCCVEGCSA-N 347.415 3.121 30 40 EGEB CC(C)(C)/C(O)=N/S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 48513935 YIDQEAKWHWGNSI-UHFFFAOYSA-N 334.319 3.268 30 40 EGEB C#Cc1cccc(NC(=O)/C=C/c2ccc(N3CCCC3=O)cc2)c1 12945472 NOPPXKQDMQVTET-JLHYYAGUSA-N 330.387 3.447 30 40 EGEB C/C(=N\Nc1ccc(C(=O)O)cc1)c1ccc2c(c1)OCCCO2 13263884 LKXVKQYLLNOGDT-XDHOZWIPSA-N 326.352 3.382 30 40 EGEB N#Cc1cccnc1N[C@H](CCO)c1ccccc1Br 96005736 QULQXNRAAXWJCY-CQSZACIVSA-N 332.201 3.251 30 40 EGEB N#C[C@@H]1c2cnn(-c3ccccc3)c(=O)c2N2c3ccccc3S[C@H]12 28114905 XILLCCQHSBRLRU-BFUOFWGJSA-N 344.399 3.423 30 40 EGEB COc1ccc(Cl)cc1-c1cc(NC(=O)c2c[nH]c(C#N)c2)[nH]n1 97048956 YVRANMBIADITTM-UHFFFAOYSA-N 341.758 3.191 30 40 EGEB CC(=O)N(C)c1cccc(NC(=O)N(CCC#N)Cc2ccco2)c1 89930350 IRIZIETWUJDJPJ-UHFFFAOYSA-N 340.383 3.210 30 40 EGEB Cc1c(C#N)c(SCc2ncnn2C(C)(C)C)nc2c1CCC2 225749414 AKYXGOXQZVRGHX-UHFFFAOYSA-N 327.457 3.389 30 40 EGEB C[C@H](NC[C@@H]1CCCO[C@H]1c1cc[nH]n1)c1ccc(C#N)c(F)c1 591660929 ARSAPEZCLRTGOE-XLWVJDPXSA-N 328.391 3.239 30 40 EGEB O/N=C1/C(c2ccccc2)=Nc2ncnn2[C@H]1c1ccc(Cl)cc1 4755672 ZZOFXINIAFEJDW-AABCQZNVSA-N 337.770 3.486 30 40 EGEB N#Cc1cccc(CN2CCC(Oc3ncc(Cl)cn3)CC2)c1 1888853283 OWPKTQJPMLYXSI-UHFFFAOYSA-N 328.803 3.045 30 40 EGEB C=CCN1C(=O)N(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc21 1888930685 NCEWEZXPJDTLJL-UHFFFAOYSA-N 346.383 3.143 30 40 EGEB N#Cc1ccc([C@@H](Nc2ccc(Br)c(F)c2)C(N)=O)cc1 76084431 LKYJHBTVTAHWRF-CQSZACIVSA-N 348.175 3.098 30 40 EGEB COc1ccc(/N=C\c2ccc(OCC(=O)NC(C)C)cc2)cc1 58872561 XXMOJQCMTPBZTR-NDENLUEZSA-N 326.396 3.349 30 40 EGEB N#Cc1ccc(/C=C/C(=O)Nc2ccn(CCc3ccncc3)n2)cc1 58201857 APERYJWMKAUULY-AATRIKPKSA-N 343.390 3.044 30 40 EGEB O=C(O)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 59222213 CSEBNABAWMZWIF-UWTATZPHSA-N 330.049 3.106 30 40 EGEB in-vitro CSc1nc(NC[C@H]2CCCO2)c(C#N)c(-c2ccccc2)n1 15859785 BFFPCYSHRWQVAH-CYBMUJFWSA-N 326.425 3.328 30 40 EGEB N#Cc1c(NC(=O)CCN2CCCC2=O)sc2c1CCCCCC2 67987207 UCIJSZDFXFIQOI-UHFFFAOYSA-N 345.468 3.230 30 40 EGEB N#CCn1cc(C(=O)N2CCCC[C@H]2Cn2cccn2)c2ccccc21 72279922 YXVQTDUNZYVWLV-INIZCTEOSA-N 347.422 3.056 30 40 EGEB C#CCOc1ccc(N(C)C(=O)c2ccncc2Br)cc1 95418474 OYKNCLBFAYGHHA-UHFFFAOYSA-N 345.196 3.133 30 40 EGEB CC1=CC(=O)/C(=C\Nc2ccc3nc(CC(C)C)[nH]c3c2)C(=O)O1 1547200820 IQIIBWSSTDPOBN-UKTHLTGXSA-N 325.368 3.087 30 40 EGEB C=CCOc1ccc(CN(C)S(=O)(=O)c2ccc(F)cc2)cc1 72538261 WHSMXRZEUFURQF-UHFFFAOYSA-N 335.400 3.211 30 40 EGEB CC(C)C[C@H](C)S(=O)(=O)/N=C(\O)c1occc1Br 83769356 MSBSUCMWZYFGFC-QMMMGPOBSA-N 338.223 3.111 30 40 EGEB Cc1noc(C)c1S(=O)(=O)/N=C(\O)C(C)(C)c1ccc(F)cc1 96404030 ORTJDRFGNMCADR-UHFFFAOYSA-N 340.376 3.054 30 40 EGEB CCN(CC)c1ccc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc1 5250234 ZOJYNSGBHOMWIC-XMHGGMMESA-N 345.468 3.154 30 40 EGEB C[C@](O)(C#C[C@@](O)(c1ccccc1)C(F)(F)F)c1ccc(F)cc1 4334550 DZVAPKOQXBBGKD-DLBZAZTESA-N 338.300 3.487 30 40 EGEB N#Cc1ccc(Cl)cc1NC(=O)c1ccc2nc(C3CC3)cn2n1 1888970064 VORQWFQFWIRWFP-UHFFFAOYSA-N 337.770 3.384 30 40 EGEB CNC(=O)c1c(NC(=O)c2ccc(C#N)cc2)sc2c1CCCC2 4348760 XBTBCWBKJKEYFO-UHFFFAOYSA-N 339.420 3.110 30 40 EGEB C[C@H](NCc1nnc2n1C[C@H](C(F)(F)F)CC2)c1ccc(C#N)cc1 78890630 JJRLANDXWXCYHK-SMDDNHRTSA-N 349.360 3.125 30 40 EGEB Cc1ccccc1CSc1sc2c(O)[nH]c(=O)nc2c1C#N 4987654 YYBSSFSVIGEXHI-UHFFFAOYSA-N 329.406 3.163 30 40 EGEB CC1=CC(=O)[C@@H](C(=O)/C=C/c2csc(-c3ccsc3)n2)C(=O)O1 103755935 IDHNCLZVIKBVIY-BAABZTOOSA-N 345.401 3.100 30 40 EGEB Cc1ccc(C[C@@H](C#N)Sc2nnc(-c3cccnc3)n2C)cc1 24703753 MJBCOZRHYZQMNA-INIZCTEOSA-N 335.436 3.413 30 40 EGEB C=CCSCC(=O)O[C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 107145436 STQMBNDJBCTYRZ-MELADBBJSA-N 341.473 3.094 30 40 EGEB COc1ccc(OC)c(N[C@H](C)C(=O)Nc2cccc(C#N)c2)c1 12606097 XPJJQFDWXKXETA-GFCCVEGCSA-N 325.368 3.015 30 40 EGEB Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc(C#N)cc1 10045349 QYMDIFHQTYTRQT-QUCCMNQESA-N 331.419 3.315 30 40 EGEB C[C@H]1CCCN(C[C@H]2C(=O)O[C@@]34[C@H]2CC[C@@H](C)[C@@H]3CC[C@@]2(C)O[C@H]24)C1 12862783 UVGULDLZIGGMGP-ULZWWYCSSA-N 347.499 3.244 30 40 EGEB biogenic CCc1ccc(/C=C2\Oc3cc(OS(C)(=O)=O)ccc3C2=O)cc1 13653738 CRZICIRGTKAROR-YVLHZVERSA-N 344.388 3.204 30 40 EGEB COc1ccccc1C[C@@H](C)N(C)C(=O)NCc1cccc(C#N)c1 175443233 ACCXHEVHEOYUKB-OAHLLOKOSA-N 337.423 3.339 30 40 EGEB Cc1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(C#N)c(-c3ccco3)c12 9446393 NHAYAWMFQNZNLI-UHFFFAOYSA-N 334.310 3.293 30 40 EGEB Cc1cc(N2CCOCC2)ccc1/C=N\c1cccc([N+](=O)[O-])c1 409069840 ASHGGKJZJNLIDQ-UYRXBGFRSA-N 325.368 3.490 30 40 EGEB Nn1cnnc1N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 33927690 RCOKFHBHAAWSRW-UBKPWBPPSA-N 337.170 3.005 30 40 EGEB COc1cc(I)c(OCC(C)C)c(C#N)c1 225289051 WCYZBWHOTBFTGU-UHFFFAOYSA-N 331.153 3.206 30 40 EGEB N#C[C@H]1CCC[C@H](Nc2cccc(OCC(=O)N3CCCC3)c2)C1 193094128 VJJAXONNJDYULS-HOTGVXAUSA-N 327.428 3.182 30 40 EGEB Cc1cc(-c2csc(N=C(N)N)n2)c(C)n1Cc1ccccc1 48252225 AFEBLWVPFLWCNS-UHFFFAOYSA-N 325.441 3.182 30 40 EGEB N#Cc1cccc(C(=O)N2CC[C@@H](OCCCc3ccccc3)C2)c1 96456452 QCVZAMWQMOQQGT-HXUWFJFHSA-N 334.419 3.422 30 40 EGEB CN(/N=C/C1=Cc2ccccc2OC1)C(=S)NCc1ccccc1 83843854 CMCDRBGOCMPXKD-FYJGNVAPSA-N 337.448 3.455 30 40 EGEB C=C(C)Cn1nc(C)c(CN2CCN(C3CCCCC3)C(=O)C2)c1C 13995668 MWBVHKRHWMGIGO-UHFFFAOYSA-N 344.503 3.053 30 40 EGEB N#Cc1nc2c([n+]([O-])c1N)CCC/C2=C\c1ccc(Cl)c(Cl)c1 5410804 COKQDUJJJVHMSP-UXBLZVDNSA-N 347.205 3.353 30 40 EGEB COC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O 9051889 XQVWQRMRXOICIY-JWHLFPLYSA-N 342.322 3.382 30 40 EGEB COc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] 59444486 NPUQZKKVLWGNHW-FNORWQNLSA-N 328.280 3.408 30 40 EGEB Cc1ccc(-c2nc(CON=C3CCC4(CC3)OCCO4)no2)cc1 54232562 BQMFHOUGXWBIOR-UHFFFAOYSA-N 343.383 3.235 30 40 EGEB Cc1noc(C)c1CN(C)C(=O)CSCc1ccc(C#N)cc1 47863967 BALXOFVXYJDHFH-UHFFFAOYSA-N 329.425 3.055 30 40 EGEB C/C(O)=C1/C(=O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccccc1F 101152759 IDLNJQABRGYBMU-MTMYEVCSSA-N 339.366 3.353 30 40 EGEB CCOc1ccc(CN2C(=O)/C(=N\O)c3cccc(C)c32)cc1OC 101101737 NNQRDEGHVBDUOL-JZJYNLBNSA-N 340.379 3.127 30 40 EGEB Cc1cccnc1NC(=O)N1CCCN(c2ccc(C#N)cc2)CC1 58394361 BJMSKMDPVMSBSU-UHFFFAOYSA-N 335.411 3.006 30 40 EGEB C[C@@H]1CCCN(C[C@@H]2C(=O)O[C@@]34[C@@H](CC[C@@]5(C)O[C@H]53)[C@H](C)CC[C@@H]24)C1 4064893 UVGULDLZIGGMGP-XANMSFQWSA-N 347.499 3.244 30 40 EGEB biogenic C#CCN1C(=O)S/C(=C/c2ccc(Br)s2)C1=O 13748618 CVVBQJARILLTOK-SOFGYWHQSA-N 328.212 3.180 30 40 EGEB C=CCn1c(Sc2nnnn2-c2ccccc2)nc2ccccc21 6185968 PUVLIOYYXCIUGO-UHFFFAOYSA-N 334.408 3.349 30 40 EGEB CC(C)(C)c1cnc(CN2CC[C@@H](CNc3ncccc3C#N)C2)o1 65512148 UVPXFJNSHWHBGC-AWEZNQCLSA-N 339.443 3.173 30 40 EGEB CN(CC(=O)Nc1sccc1C#N)Cc1ccc(Cl)s1 8161290 POXNKFNJGCZNMM-UHFFFAOYSA-N 325.846 3.405 30 40 EGEB N#Cc1cn(Cc2cscn2)c2ccc(Br)cc2c1=O 95427885 UFKMERWCIMMACL-UHFFFAOYSA-N 346.209 3.140 30 40 EGEB C#Cc1cc(F)c(NS(=O)(=O)c2ccc3c(c2)CCC3)c(F)c1 95975702 CJMXUVFFHHZCIM-UHFFFAOYSA-N 333.359 3.236 30 40 EGEB N#Cc1ccc(-c2nnc(CN3CCOc4ccccc4C3)o2)cc1 75643492 ZVXFBRHTZDZISP-UHFFFAOYSA-N 332.363 3.003 30 40 EGEB C#CCOC(=O)c1ccc2oc(-c3ccc(OC)c(OC)c3)nc2c1 216794070 MOXBSAILDSIRHQ-UHFFFAOYSA-N 337.331 3.302 30 40 EGEB N#Cc1ccccc1-c1ccc(CNC(=O)N2CCC[C@@H](CO)C2)cc1 91247970 PAMHGEKQVLOSQH-QGZVFWFLSA-N 349.434 3.139 30 40 EGEB COc1ccc([C@@H](NC(=O)N(C)[C@H](C)CC#N)C(F)(F)F)cc1 97100292 SAZGIKSNFZMRFM-ZWNOBZJWSA-N 329.322 3.242 30 40 EGEB C=CCN1C[C@@H]2CN(Cc3cccs3)CCC[C@]2(C(=O)OCC)C1 96055969 DJTVXFAYJVXGSE-LPHOPBHVSA-N 348.512 3.011 30 40 EGEB COC(=O)N1C[C@H]2CC[C@H]1[C@@H](c1noc(C3(C#N)CCCCC3)n1)C2 585120394 LHDNFQCIDMXJHO-IHRRRGAJSA-N 344.415 3.129 30 40 EGEB C#CCCCCCC(=O)N=c1nc(-c2ncccc2Cl)[nH]s1 585125022 DKITWTJDNPRADG-UHFFFAOYSA-N 334.832 3.198 30 40 EGEB Cc1cc2cnn([C@@H]3CCCCO3)c2cc1B1OC(C)(C)C(C)(C)O1 1857777704 ONFHYMFBOBJWGY-KRWDZBQOSA-N 342.248 3.343 30 40 EGEB COC(=O)c1ccc2c(c1)C(=O)/C(=C\c1cc(OC)ccc1OC)O2 429870 DHHLOJRSHFEAAG-LICLKQGHSA-N 340.331 3.107 30 40 EGEB CCOC(=O)Cn1c2ccccc2c(=O)c2cc(C)c(C)c(C#N)c21 5499678 URMUWYSCMGSTPZ-UHFFFAOYSA-N 334.375 3.206 30 40 EGEB Fc1ccc(-n2nnnc2C/C=N/Nc2ccc(Cl)cc2)cc1 5944841 SBYGNTXVQJYILP-VCHYOVAHSA-N 330.754 3.095 30 40 EGEB N#CC(C#N)=c1ccc2c(c1)N1C3=C(CCCC3)C[C@@H]3CCCC[C@@]31N=2 494034 JFTMWZCGZPOWHG-AVRDEDQJSA-N 342.446 3.442 30 40 EGEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(C)[C@H]2c2ccccc2F)cc1 102862527 KMYZXCDCGFYLJA-UYTDBDHRSA-N 325.339 3.186 30 40 EGEB N#CCCN(C(=O)COC(=O)c1ccccc1F)c1ccc(F)cc1 3523725 ZTVJQJCHNPHLCH-UHFFFAOYSA-N 344.317 3.068 30 40 EGEB O=C(/C=C1\NCCc2cc3c(cc21)OCO3)C[C@H]1C[C@@H]2CC[C@@H]1C2 100779699 CBAXMSGGEBAKNN-ARRWDLOHSA-N 325.408 3.297 30 40 EGEB Cc1nnc(/N=C(\O)C(=O)c2c(C)nn(-c3ccccc3)c2C)s1 23625939 RBBUKHKONCNMMH-UHFFFAOYSA-N 341.396 3.120 30 40 EGEB O/N=C1\C(c2ccccc2)=Nc2ncnn2[C@@H]1c1ccc(Cl)cc1 103309212 ZZOFXINIAFEJDW-QFNCUCFLSA-N 337.770 3.486 30 40 EGEB Cc1c(/N=C/c2ccccc2OCC#N)c(=O)n(-c2ccccc2)n1C 100535319 FOTSDENJMHBKQL-HYARGMPZSA-N 346.390 3.137 30 40 EGEB N#CCSc1nc(SCC#N)c2cnn(-c3ccccc3)c2n1 2180940 PZVRDIRSHNVMJK-UHFFFAOYSA-N 338.421 3.047 30 40 EGEB N#Cc1cccc(S(=O)(=O)N[C@H]2CCSc3ccccc32)c1 12813559 JDCYMAJXTNAOMN-HNNXBMFYSA-N 330.434 3.074 30 40 EGEB CC1CCC(C#N)(N(C)C(=O)CN(C)Cc2cccc(F)c2)CC1 12802638 QZLNMWOCSXKKTE-UHFFFAOYSA-N 331.435 3.188 30 40 EGEB COc1ccc(/C=C/C(=O)c2cn(C)nc2C)cc1Br 48625359 ZRGFHYQLFIJBJS-GQCTYLIASA-N 335.201 3.396 30 40 EGEB C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C1(C#N)CCCCC1 14183847 VMXHOQHUNDXHGW-CYBMUJFWSA-N 331.372 3.047 30 40 EGEB CCOc1ccc(N(CCC#N)C(=O)c2ccc(OC)nc2)cc1 71889096 OHVURECAMITGPP-UHFFFAOYSA-N 325.368 3.049 30 40 EGEB CC[C@H](CC#N)NC(=O)Nc1ccc(C)cc1OC[C@@H]1CCCO1 95942649 DXLKFWFYQJXPHY-CABCVRRESA-N 331.416 3.367 30 40 EGEB N#Cc1cc(C(=O)Nc2cccc(OCCN3CCCCC3)c2)c[nH]1 95995169 HQLRLCIVKATNRZ-UHFFFAOYSA-N 338.411 3.003 30 40 EGEB CC[C@H](C)n1ncc(/C(O)=N/S(=O)(=O)CC2CCC2)c1C1CC1 89986964 VDVDZGBEYJDKBK-NSHDSACASA-N 339.461 3.166 30 40 EGEB N#Cc1nn(-c2ccc(Cl)cc2)nc1N1CCc2ccccc2C1 256046625 HDXXOVOVYCPTDU-UHFFFAOYSA-N 335.798 3.355 30 40 EGEB N#Cc1c(F)cccc1NCCNC(=O)Nc1c(F)cccc1F 47701501 BQAHFJTXLWZVQT-UHFFFAOYSA-N 334.301 3.209 30 40 EGEB OC[C@@](F)([C@@H](F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F 95671205 PCGUNVYNJIFBQT-PWNYCUMCSA-N 332.084 3.420 30 40 EGEB CCCCCCCCCCCC(=O)N[C@@H](CC(=O)O)C(=O)NCC 498050810 UUZMADLZWIVEOD-HNNXBMFYSA-N 342.480 3.003 30 40 EGEB CC(C)COC(=O)C[N+](C)(C)CCO[C@H]1C[C@H]2CC[C@]1(C)C2(C)C 4973980 ZCGXPPMGQSXPBJ-UWVAXJGDSA-N 340.528 3.493 30 40 EGEB C=CCn1c(Sc2ccc(C#N)cn2)nc2ccsc2c1=O 42848148 VAKGXWZVNCXUDM-UHFFFAOYSA-N 326.406 3.062 30 40 EGEB CN(CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)c1ccccc1 24678690 DYOJKNAQZIKCKJ-INIZCTEOSA-N 328.375 3.360 30 40 EGEB N#Cc1cccnc1NC[C@@H]1CCN(Cc2cccc3cccnc23)C1 65512538 WAGVJWCEWVYPJE-INIZCTEOSA-N 343.434 3.435 30 40 EGEB CC(=O)Nc1ccc(/C(C)=N/OCc2cccc([N+](=O)[O-])c2)cc1 14396771 KZCHMXMUYDHUIC-XDHOZWIPSA-N 327.340 3.494 30 40 EGEB C/C(=N\N=C\c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 4776138 DMGBKQRTGDGKQI-GDAWTGGTSA-N 325.324 3.209 30 40 EGEB Cc1cc(C)c(C#N)c(SCc2cc(=O)n3cccc(C)c3n2)n1 6983494 UERSGEUQQPGXGB-UHFFFAOYSA-N 336.420 3.179 30 40 EGEB N#Cc1ccc(COC(=O)CCc2nc(-c3ccccc3)no2)cc1 7002711 QINIMUHCEMFYDR-UHFFFAOYSA-N 333.347 3.284 30 40 EGEB C[C@@H]1CCCC[C@H]1N1CNC(=Nc2nc3ccccc3s2)NC1 17014323 FDWGGRWUHUOODU-TZMCWYRMSA-N 329.473 3.272 30 40 EGEB CN(CC(=O)Nc1cc(F)cc(F)c1)Cc1cccc(C#N)c1F 95454786 UZFWOMRSPGMESO-UHFFFAOYSA-N 333.313 3.046 30 40 EGEB C=CCN(CC=C)C(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccc(C)cc1 72238275 JANLWFQDFHRCTP-HKUYNNGSSA-N 326.440 3.105 30 40 EGEB N#Cc1ccc(CCC(=O)N2[C@H]3CC[C@H]2CC(n2ccnc2)C3)cc1 1565520883 XXVVREGOSICYCH-ROUUACIJSA-N 334.423 3.082 30 40 EGEB Cc1ccc(S(=O)(=O)N/N=C\c2c(O)ccc3ccccc23)cc1 71782880 RGNFUPWYQNYCNG-UNOMPAQXSA-N 340.404 3.166 30 40 EGEB CCOc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(C#N)c1 223003933 DBZPYFIUORZASR-UHFFFAOYSA-N 336.800 3.411 30 40 EGEB C[C@H](c1ccc(F)cc1)N(C)C[C@H](O)COc1ccc(C#N)cc1 40013638 GXQSMQDVIZMXGE-KDOFPFPSSA-N 328.387 3.130 30 40 EGEB C=CCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(C)cc1 224690922 QMWZKCSVGHZRIX-UHFFFAOYSA-N 332.381 3.285 30 40 EGEB N#Cc1c(N2CCc3nocc3C2)nc2c(c1C#N)CCCCCC2 585122559 ZVOJPQDCISZGFY-UHFFFAOYSA-N 333.395 3.035 30 40 EGEB C[C@H](NC(=O)Nc1cccc([C@H]2CCC(=O)N2)c1)c1cccc(C#N)c1 591348742 PRZWAMHXWOCREB-SCLBCKFNSA-N 348.406 3.392 30 40 EGEB Cc1ccc(S(=O)(=O)N/N=C\c2cc(Cl)nc(Cl)c2)cc1 33376848 NUCOBGZZRUZNLZ-PXNMLYILSA-N 344.223 3.009 30 40 EGEB COc1cc(C#N)ccc1OCC(=O)N1c2ccccc2CC[C@H]1C 9500338 LFCDRQDYFFAYOL-CQSZACIVSA-N 336.391 3.314 30 40 EGEB COc1cccc(OC[C@H]2CCCN(Cc3cccc(C#N)c3)C2)n1 1889134505 ZIUNUACZOSEZLG-SFHVURJKSA-N 337.423 3.253 30 40 EGEB N#CC1(c2ccccc2)CCN(c2ccc3nnc(C4CC4)n3n2)CC1 2086868803 LSHOCWSEZAOVDI-UHFFFAOYSA-N 344.422 3.063 30 40 EGEB COc1cccc(N2CC(=O)C(c3nc4ccccc4s3)=C2N)c1 132194 FODBPWAVAOEAAD-UHFFFAOYSA-N 337.404 3.022 30 40 EGEB N#Cc1ccc(CNC(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)cc1 78951712 TYMZPVCWAYYHJV-PMACEKPBSA-N 349.434 3.356 30 40 EGEB N#Cc1cc([N+](=O)[O-])ccc1NC[C@@H](c1ccco1)N1CCCC1 23386317 NLQMHOSZPDJIHJ-INIZCTEOSA-N 326.356 3.308 30 40 EGEB Cc1cc(N(C)/N=C/c2ccccc2[N+](=O)[O-])nc(Cl)c1C#N 12446159 OTWBEGHPMDIUSB-GIJQJNRQSA-N 329.747 3.294 30 40 EGEB O=C1CCC[C@H]1/C(=N/N=c1\[nH]c2ccccc2s1)C(F)(F)F 25185900 FMOFOTFRZCGYAB-FQBKRNEFSA-N 327.331 3.418 30 40 EGEB N#CCc1ccc(OC[C@@H](O)CN2CCC[C@@H]2c2ccsc2)cc1 46089062 NJIYNNWZBCJOOY-PKOBYXMFSA-N 342.464 3.391 30 40 EGEB COc1cc(C#N)cc(Cl)c1OCC(=O)NCC1CCCCC1 9691869 HDRXIJDZSATIOW-UHFFFAOYSA-N 336.819 3.296 30 40 EGEB C[C@@H]1CN(Cc2ccccc2CNCc2ccc(C#N)cc2)C[C@@H](C)O1 48816792 BFUNZJBQBJZNFQ-QZTJIDSGSA-N 349.478 3.457 30 40 EGEB O=C(/C=C/C(=O)c1ccccc1)OC[C@@H]1CCCN2CCCC[C@H]12 4064030 IIAHFBKBTSDKEN-AAIOHFERSA-N 327.424 3.233 30 40 EGEB biogenic C=CCNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccco1)N2 5043597 OZNIKQGFKQLHMX-CABZTGNLSA-N 340.305 3.052 30 40 EGEB N#C[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])c1ccc(F)cc1F 65542762 PVLDSVJZYSKLQM-PXTSUWAFSA-N 343.289 3.267 30 40 EGEB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=N/Nc1cccc(C)c1 4674694 OSJGSSMKRZDKCE-KNTRCKAVSA-N 337.339 3.094 30 40 EGEB C[C@H]1C[C@@H]1/C(O)=N/S(=O)(=O)c1ccc(F)cc1C(F)(F)F 71883909 XOGDRPKBPMDNCO-XPUUQOCRSA-N 325.283 3.146 30 40 EGEB O=C(/C=C/Nc1ccc(NN2CCOCC2)cc1)c1cccs1 409345985 MALXPGMQIBHRQD-BQYQJAHWSA-N 329.425 3.216 30 40 EGEB C=CCNC(=O)c1cccc(Cn2nc(C)c(Br)c2C)c1 28237440 MWQGIQFBZMAFLV-UHFFFAOYSA-N 348.244 3.227 30 40 EGEB COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc2c1OCO2 408931444 LRNMVYWMFIVRRM-UDWIEESQSA-N 340.379 3.011 30 40 EGEB N#CCc1ccc(NC(=S)NCc2ccc(-n3ccnc3)cc2)cc1 225453308 SAQXCLNLETWGTG-UHFFFAOYSA-N 347.447 3.425 30 40 EGEB C=CCN1CC[C@H](Sc2nnc(NCc3ccccc3)s2)C1=O 225569373 YRXYOKVITABFGT-ZDUSSCGKSA-N 346.481 3.029 30 40 EGEB Cc1cc(Cl)c2ncc(C#N)c(NC[C@@H](CO)[C@@H]3CCOC3)c2c1 252489381 JPUJZGFEZUOADP-OCCSQVGLSA-N 345.830 3.125 30 40 EGEB CCc1nn(Cc2csc(C3CCCC3)n2)c(=O)c(C#N)c1CC 78610643 HZQZIMJQCKIJED-UHFFFAOYSA-N 342.468 3.402 30 40 EGEB COc1ccc(-c2nnc(S[C@@H](C)C#N)n2C[C@H]2CCCO2)cc1 3427939 YDRLZBHIDOKQCS-SWLSCSKDSA-N 344.440 3.137 30 40 EGEB C[C@H]1C[C@@H]1c1ccc(CN(C)S(=O)(=O)c2ccc(C#N)cc2)o1 22246404 JWPAPAPCJDVGQK-LRDDRELGSA-N 330.409 3.095 30 40 EGEB C=CCn1c(C)nnc1S[C@@H](C)C(=O)c1ccc(OC)c(OC)c1 58215773 OKDLLXMQBCSILI-NSHDSACASA-N 347.440 3.153 30 40 EGEB Cc1ccnc(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)c1 58329902 XWINVNKYWNXBRI-UHFFFAOYSA-N 338.386 3.256 30 40 EGEB COc1ccc2c(c1)O/C(=C\c1ccc(OC(=O)N(C)C)cc1)C2=O 4339910 DTHBEOPFETYDJA-YVLHZVERSA-N 339.347 3.372 30 40 EGEB COc1ccc([C@H]2CCCN2c2ncnc3c2cnn3CCC#N)cc1 65519866 ZOELHXLBGSOBAY-QGZVFWFLSA-N 348.410 3.090 30 40 EGEB O=C1Nc2ccccc2/C1=N/c1ccccc1I 5687932 CWRAGWOVSSKQMP-UHFFFAOYSA-N 348.143 3.364 30 40 EGEB C[C@@](C#N)(NC(=O)CNc1ccc(OC2CCCC2)c(F)c1)C1CC1 96427584 GXDXBGPYVPZJIG-IBGZPJMESA-N 345.418 3.367 30 40 EGEB COc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])ccc1OC(C)C 409090059 QCCKAHARXKSOQP-VCHYOVAHSA-N 330.344 3.232 30 40 EGEB CCCNC(=O)c1cccc(C(=O)N[C@H](C#N)c2ccccc2C)c1 72294760 BEHNSBRRAPADPB-GOSISDBHSA-N 335.407 3.130 30 40 EGEB C=CCCO[C@H](C)C(=O)O[C@@H](CSc1ncn[nH]1)c1ccccc1 89914141 BGUSDHHVSIFMGK-HIFRSBDPSA-N 347.440 3.163 30 40 EGEB N#CCCn1c2c(sc1=O)[C@H]1c3ccccc3OC[C@@H]1CS2 32594744 KWSCKUKCRVAFGH-ZWNOBZJWSA-N 330.434 3.070 30 40 EGEB CCCOc1ccc(C(=O)Nc2c[nH]nc2C#N)cc1OCCC 585126442 ZAVRAHCTQLUZEC-UHFFFAOYSA-N 328.372 3.111 30 40 EGEB CC(=O)n1nc(C)c([N+](=O)[O-])c1C(F)(F)C(F)(F)C(F)(F)F 16158402 AVTLQQBPSMBXTI-UHFFFAOYSA-N 337.151 3.049 30 40 EGEB CCOC(=O)/N=C(\NC(=O)OCC)c1ccccc1Br 5717069 BUMMIZWRAGQXHY-UHFFFAOYSA-N 343.177 3.098 30 40 EGEB C/C(=C\CC[C@H](C)C1=CC[C@]2(C)OC3=C(C[C@@H]12)C(=O)[C@@H](O)CC3)CO 14825250 KOATXBNOVXBDJE-FDPITQQASA-N 346.467 3.445 30 40 EGEB biogenic,in-vitro O=C1C(Cl)=C(Nc2ccc3c(c2)OCO3)C(=O)c2ccccc21 509251 CYGXKEZFIBDAHI-UHFFFAOYSA-N 327.723 3.357 30 40 EGEB C[C@H]1CC(=O)c2sc(NC=C3C(=O)c4ccccc4C3=O)nc2C1 100936694 LIRHFOYHPNGJHI-SECBINFHSA-N 338.388 3.283 30 40 EGEB Cc1nc(OCC(=O)c2ccccc2)c(C#N)c2c1COC(C)(C)C2 3107325 BCHPOXIYJHLCLM-UHFFFAOYSA-N 336.391 3.375 30 40 EGEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4C[C@H](C)O[C@@H](C)C4)[C@H]3C[C@@H]12 35361021 CNUKCRQWTYDAEH-OXZOJPPVSA-N 347.499 3.410 30 40 EGEB biogenic N#Cc1ccccc1COC(=O)C1(c2cccc(F)c2)CCOCC1 58202941 JIPORHBHBOJAMJ-UHFFFAOYSA-N 339.366 3.489 30 40 EGEB O/N=C(/NCc1cccnc1)c1ncc(C(F)(F)F)cc1Cl 4050556 VBHOXBAPRJDEBS-UHFFFAOYSA-N 330.697 3.074 30 40 EGEB Cc1ccc(C)c(OCc2nnc(Sc3nccnc3C#N)o2)c1 65589789 KGWGQTWVKKWEAA-UHFFFAOYSA-N 339.380 3.078 30 40 EGEB Ic1ccc(/C=N\OCc2ccccc2)o1 409000128 MPLHCUJPTMSJJG-ZSOIEALJSA-N 327.121 3.435 30 40 EGEB CCOc1c(OC)cc(C#N)cc1C(=O)Nc1ccccc1OC 408582079 LPHKXGUVPQTFMG-UHFFFAOYSA-N 326.352 3.226 30 40 EGEB N#Cc1cccc(C(=O)N2CCN(Cc3ccccc3Cl)CC2)c1 32501805 IKSRBNRULIDBEJ-UHFFFAOYSA-N 339.826 3.170 30 40 EGEB C=CCOc1ccc(N(CC)S(=O)(=O)c2ccc(OC)cc2)cc1 224871440 JECPAMKPPSSWHM-UHFFFAOYSA-N 347.436 3.475 30 40 EGEB N#CCC(=O)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1 225612039 NOTLTIDUHRPNCD-HNNXBMFYSA-N 344.212 3.158 30 40 EGEB CCOC(=O)/C(=C\Nc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1 102921689 VLGQZQIGXXGRLN-VBKFSLOCSA-N 340.335 3.337 30 40 EGEB CCOC(=O)C1=C(C)N=C(/N=C/N(C)C)S[C@H]1c1ccccc1 100208414 DIQRXWJXPKXJSU-LZNAANCOSA-N 331.441 3.258 30 40 EGEB Cc1ccc(-c2ccc(C(=O)[C@H](C#N)C(=O)c3nccn3C)s2)o1 102076435 AOFPMUAKDMFBBJ-NSHDSACASA-N 339.376 3.255 30 40 EGEB N#Cc1c(F)cccc1N1CCCN(c2cccc(F)c2C#N)CC1 60355794 QKAOVRPRTJHBMG-UHFFFAOYSA-N 338.361 3.425 30 40 EGEB C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)N1CCN(c3nccs3)CC1)C2 100773335 VGCUAMZVHIVMOY-KBXCAEBGSA-N 331.485 3.174 30 40 EGEB COc1ccc(Cn2c(SCC#N)nc3ccsc3c2=O)cc1 2908640 VYOPVNGKOYVDLO-UHFFFAOYSA-N 343.433 3.131 30 40 EGEB N#Cc1cccnc1N1CCO[C@H](c2ccccc2Br)C1 58332083 DHAUSTTZTYGMKK-HNNXBMFYSA-N 344.212 3.294 30 40 EGEB CC(C)[C@H](NC(=O)COc1ccc(C#N)cc1)c1nc2ccccc2[nH]1 12639788 VWHPMPRDIWWBMH-IBGZPJMESA-N 348.406 3.327 30 40 EGEB N#CCCn1cc(/C=C/C(=O)O)c(-c2ccc(Br)cc2)n1 3355977 UVYRDPRNQLZOGL-QPJJXVBHSA-N 346.184 3.324 30 40 EGEB Cn1cc([C@H]2CC(c3cccc(O)c3)=NN2c2cccc(C#N)c2)cn1 48326429 RHRAYHPGFTYJCJ-HXUWFJFHSA-N 343.390 3.353 30 40 EGEB Cc1ccccc1/N=C1/NC(=O)[C@H](Cc2ccccc2[N+](=O)[O-])S1 13477817 ZZJKFWRMDZTKAA-HNNXBMFYSA-N 341.392 3.365 30 40 EGEB CC(C)(C)c1csc(CCNC(=O)CNc2ccc(C#N)cc2)n1 71856442 AEXFPSPSOJBYMX-UHFFFAOYSA-N 342.468 3.083 30 40 EGEB CN(C)C(=O)CSc1nc(-c2ccc(Cl)cc2)ccc1C#N 4608165 CUOMHHYDOOPYCM-UHFFFAOYSA-N 331.828 3.454 30 40 EGEB C=CCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(SC)cc1 4716220 PQBMBUPOEWRRHC-OAHLLOKOSA-N 342.424 3.018 30 40 EGEB CC#CCCNC(=O)CCNc1ncc(C(F)(F)F)cc1Cl 95996796 UAVBHWWMUNWJDB-UHFFFAOYSA-N 333.741 3.085 30 40 EGEB COC(=O)c1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1 409034823 RDIDPTXBDNUPEF-IOXNKQMXSA-N 346.202 3.187 30 40 EGEB COc1cc2c(cc1OC)/C(=N/Nc1cc(C)cc(C)c1)C(=O)N2 43933773 ZKYXWOQEJICGEI-UHFFFAOYSA-N 325.368 3.089 30 40 EGEB Cc1ccc(Cc2c(N)cc(C#N)n2CC(=O)Nc2ccccc2)cc1 225859788 BMVSWRDZRQFZHY-UHFFFAOYSA-N 344.418 3.480 30 40 EGEB CC1(C)OB(c2ccc([C@@]3(C(F)(F)F)CCO3)cc2)OC1(C)C 2171245656 GJQJPNILPUOJLO-OAHLLOKOSA-N 328.139 3.164 30 40 EGEB COc1ccc(-c2nnc(S)n2/N=C\c2cccc(OC)c2)cc1 2193831 GKSZGGZCSWWHQX-WQRHYEAKSA-N 340.408 3.133 30 40 EGEB CCOc1cc(/C=N/O)ccc1OCC(=O)Nc1ccccc1C 13747212 MENIBTNUNNJZCS-YBFXNURJSA-N 328.368 3.219 30 40 EGEB C=CCO[C@H]1CCN(C(=O)CCc2ccc[nH]2)[C@H]1Cc1ccccc1 2055718093 JBBMHELNOQPNDI-PMACEKPBSA-N 338.451 3.362 30 40 EGEB N#Cc1ccc(S(=O)(=O)N(Cc2ccco2)C2CC2)cc1Cl 40527968 GGPDMYPPYZAXPF-UHFFFAOYSA-N 336.800 3.158 30 40 EGEB C=CCNC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccccc1 3100319 COZYYTWUWKWFLZ-UHFFFAOYSA-N 346.390 3.040 30 40 EGEB C=CCO[C@H]1[C@H]2CC[C@H]1N(C(=O)c1cc3ccccc3o1)CCO2 107720917 RCBWXDAXXOWMPH-QGPMSJSTSA-N 327.380 3.007 30 40 EGEB C=C(C)Cn1c(S[C@@H](C)C(=O)OCC)nc2ccccc2c1=O 27298547 YOCPMIHNTSQNMG-LBPRGKRZSA-N 332.425 3.016 30 40 EGEB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)/N=C(\O)[C@H](C)SC(C)C 58175148 YHHRATDMCMLHIL-JTQLQIEISA-N 346.430 3.079 30 40 EGEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccncc1 13615868 IPTHYTCXYCDMOS-SFHVURJKSA-N 346.390 3.449 30 40 EGEB C=CCn1c(SCc2c(C)noc2C)nnc1-c1ccncc1 6507912 RCISCDAOSSIOEV-UHFFFAOYSA-N 327.413 3.423 30 40 EGEB COc1ccccc1Nc1c(C#N)c2c(c3nncn13)COC(C)(C)C2 15106162 PBDPTAGIVHJWKS-UHFFFAOYSA-N 349.394 3.204 30 40 EGEB C=C(C)CN1CCC(NC(=O)Nc2ccc3c(c2)OCCCO3)CC1 69592892 YPUYVEISZILEDM-UHFFFAOYSA-N 345.443 3.010 30 40 EGEB O=S(=O)(Cc1cccc2cccnc12)/N=C(\O)c1cccc(F)c1 95455839 HXQRXVDHWSGGIQ-UHFFFAOYSA-N 344.367 3.209 30 40 EGEB C[C@H](NS(=O)(=O)CC#N)c1ccc(Oc2ccccc2)c(F)c1 95439618 NREHIOWFATXLCT-LBPRGKRZSA-N 334.372 3.122 30 40 EGEB C#CCOc1ccc(N(C)C(=O)c2cccc(-c3nnc(C)o3)c2)cc1 73477017 SRNGFBBFESWSDB-UHFFFAOYSA-N 347.374 3.334 30 40 EGEB Cc1cc(C)n2cc(CNc3cc(C#N)ccc3OC(F)F)nc2n1 88533089 DNUTWNLOWGFJPC-UHFFFAOYSA-N 343.337 3.431 30 40 EGEB CCc1nc2c(s1)[C@H](N(C)S(=O)(=O)CCCCC#N)CCC2 89295793 XHMPFSMCRLYLTC-CYBMUJFWSA-N 341.502 3.038 30 40 EGEB CCOC(=O)CN(C(=O)c1cccc(CC#N)c1)C1CCCCC1 96412060 VOYIGNYNDATGOP-UHFFFAOYSA-N 328.412 3.091 30 40 EGEB CCOC(=O)Nc1cccc2c1-c1ccccc1/C2=N/N=C(/N)S 5575192 CNMOOSVGSLLKPK-HKWRFOASSA-N 340.408 3.232 30 40 EGEB Cc1ccoc1C(=O)O[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 16417116 KAZAGGYPHNKDTO-SNVBAGLBSA-N 332.743 3.297 30 40 EGEB N#Cc1nc(N[C@H](CO)Cc2c[nH]c3ccccc23)ccc1Cl 78666724 WVAOQHVVUILXSL-LBPRGKRZSA-N 326.787 3.103 30 40 EGEB C=CCSc1nc(N)c(S(=O)(=O)c2ccc(C)cc2)s1 4290449 HEGUKODPKWDREC-UHFFFAOYSA-N 326.468 3.145 30 40 EGEB C=CCOc1ccc(/C=C2\C(=O)N(C(C)C)C(C)=C2C(=O)OC)cc1 59959470 RENXCKCFPHSIFR-ATVHPVEESA-N 341.407 3.332 30 40 EGEB C=C(C)CN1CCN(c2cc(C)c(C#N)c3nc4ccccc4n23)CC1 52688873 FRNZPOONXMOPOW-UHFFFAOYSA-N 345.450 3.366 30 40 EGEB Cc1cccc(OCCN2C(=O)/C(=N\O)c3cc(Cl)ccc32)c1 101102014 IXLZQOXTCZFTBT-MNDPQUGUSA-N 330.771 3.252 30 40 EGEB CCCCCCCCCCCCN(CCO)C(=O)/C=C\C(=O)O 100924207 UDISWKCRKDIOJG-SEYXRHQNSA-N 327.465 3.369 30 40 EGEB N#Cc1c(F)cccc1N1CCC(NC(=O)Cc2ccccc2)CC1 48300448 LRRSRWOTSWKNEK-UHFFFAOYSA-N 337.398 3.025 30 40 EGEB O=C(/C=C/c1cccc2c1OCO2)c1ccc(N2CCOC2=O)cc1 64331745 DOZXDIREFBEMES-RMKNXTFCSA-N 337.331 3.268 30 40 EGEB N#Cc1c(-c2ccccc2)nc2c(Cc3cccs3)c(N)nn2c1N 17173063 XGIQCEZDPXIELW-UHFFFAOYSA-N 346.419 3.085 30 40 EGEB CSc1nc2n(n1)[C@@H](c1ccc(C)cc1)C1=C(CCCC1=O)N2 4436048 ILJYFFOTKAZXKZ-HNNXBMFYSA-N 326.425 3.330 30 40 EGEB COc1ccc([C@H](NS(=O)(=O)c2ccccc2C#N)C(C)C)cc1 14184733 YYCIVOCZTSCITF-GOSISDBHSA-N 344.436 3.242 30 40 EGEB Cc1ccc(C)c(N2N=C(C(=O)Nc3ccc(C#N)cc3)CCC2=O)c1 6637822 BUDGKKOEXHMHRD-UHFFFAOYSA-N 346.390 3.297 30 40 EGEB C[C@@H](C#N)CSc1ccccc1NCC(=O)NC1(C#N)CCCC1 69736975 SXXQKIFPTGYUHI-AWEZNQCLSA-N 342.468 3.303 30 40 EGEB CCc1nn2c(N)c(C#N)cnc2c1-c1ccc(Br)cc1 9287623 ARIUKGBQGSZYLX-UHFFFAOYSA-N 342.200 3.175 30 40 EGEB CCNC(=O)N1CCc2ccc(NC(=O)c3cccc(CC#N)c3)cc21 72296696 JBYMJYLXGAWBLO-UHFFFAOYSA-N 348.406 3.097 30 40 EGEB C#Cc1cccc(NC(=S)Nc2ccn(Cc3cccnc3)n2)c1 72282637 PNYCDXFGCRBJKV-UHFFFAOYSA-N 333.420 3.117 30 40 EGEB O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccccn1 409408724 ZFDBLTMMZLCHIE-UHFFFAOYSA-N 326.359 3.341 30 40 EGEB COc1ccc(/C=[N+](\C)CCc2ccc(OC)c(OC)c2)cc1OC 31948996 NXFRNNFRPBFYBE-KGENOOAVSA-N 344.431 3.025 30 40 EGEB N#Cc1ccc(S(=O)(=O)N2CCS[C@@H](c3ccco3)CC2)cc1 219454614 QPMJBXZDOKIWRZ-MRXNPFEDSA-N 348.449 3.020 30 40 EGEB O=C1/C(=C/c2ccncc2)Oc2c1ccc(O)c2CN1CCCCC1 20518047 XUZFOABLDIWBTO-PDGQHHTCSA-N 336.391 3.389 30 40 EGEB CCc1c(C)nc(SCC(=O)CC(=O)OC(C)C)c(C#N)c1C 4093499 BKJUKKWEAGEHQQ-UHFFFAOYSA-N 334.441 3.135 30 40 EGEB C#Cc1cccc(NC(=O)[C@H]2CCCCN2C(=O)c2cccs2)c1 25614174 BIHWEXXYFGOMGD-MRXNPFEDSA-N 338.432 3.363 30 40 EGEB C=CCc1cc(/C=N/Nc2ccccc2)cc(OC)c1OCC(=O)O 59302663 LFCAKFRZYPGEQQ-UDWIEESQSA-N 340.379 3.333 30 40 EGEB CN(C(=O)CN1CCC(c2cc3ccccc3[nH]2)CC1)C(C)(C)C#N 58180045 HMIKJBQEYDKMDI-UHFFFAOYSA-N 338.455 3.108 30 40 EGEB CC[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1CC(=O)NC 10343850 HNASXRCHKGGYNZ-OAHLLOKOSA-N 341.455 3.086 30 40 EGEB CC(=O)c1cccc(NCC(=O)Nc2ccc(C#N)c(Cl)c2)c1 3486628 RFOZWUZKXJAUKI-UHFFFAOYSA-N 327.771 3.465 30 40 EGEB N#Cc1c(N)c(C(=O)c2cccc(Br)c2)n2ccccc12 8844903 JZTSTWVLCGTPLF-UHFFFAOYSA-N 340.180 3.387 30 40 EGEB C=CCn1c(S[C@@H](C)c2nnc(CC)o2)nc2sccc2c1=O 71893900 WQNWUHBCQYHWIR-VIFPVBQESA-N 348.453 3.443 30 40 EGEB C=CCN1CCC(NC(=O)N(Cc2ccccc2OC)C2CC2)CC1 72270222 XVFWBHQPVYNKLT-UHFFFAOYSA-N 343.471 3.020 30 40 EGEB Cc1ccc(-n2nc(C#N)c(N3CCc4ccccc4C3)n2)c(C)c1 256048367 SMPZLHUQCQRRLW-UHFFFAOYSA-N 329.407 3.319 30 40 EGEB N#Cc1ccc(F)cc1CN1CCOC[C@@H]1C[C@@H](O)c1ccccc1 268635334 CLUDGUJCWOXVFA-VQTJNVASSA-N 340.398 3.022 30 40 EGEB CCOC(=O)c1ccccc1N(Cc1ccccc1CC#N)C(C)=O 16778417 CQWBWZKIOQGRQF-UHFFFAOYSA-N 336.391 3.482 30 40 EGEB CC/N=C1\S[C@H](CC(=O)Nc2ccc(Cl)cc2)C(=O)N1CC 100918831 LDWJLKZUBFBIGU-UWENYHRYSA-N 339.848 3.008 30 40 EGEB N#Cc1cccc(C(=O)NC[C@@H](O)c2ccc(-c3ccco3)cc2)c1 585148159 QGRDPMVSHORGFJ-GOSISDBHSA-N 332.359 3.282 30 40 EGEB CN1C(=O)/C(=C/c2ccc(C(=O)O)cc2)S/C1=N/c1nccs1 101013966 YNBOHKKGEGKFOA-XYWKCAQWSA-N 345.405 3.075 30 40 EGEB C=CCn1c(N)nnc1SCc1cc(-c2ccc(C)cc2)no1 32780001 XSXIMSQPDRVGKS-UHFFFAOYSA-N 327.413 3.302 30 40 EGEB CCO[C@@H](C)c1nc(C)c(/C(O)=N/S(=O)(=O)CC(C)(C)C)s1 77878586 KRQKEXGRSHXYQG-JTQLQIEISA-N 348.490 3.230 30 40 EGEB N#CCCN(C(=O)COC(=O)c1cccc(F)c1)c1ccc(F)cc1 3529897 DXKWCXBJRFRXDT-UHFFFAOYSA-N 344.317 3.068 30 40 EGEB CCC(=O)NC1=C(N[C@H](C)c2ccccc2)C(=O)c2ccccc2C1=O 25326100 YMRBKGLLUXSTNH-CYBMUJFWSA-N 348.402 3.154 30 40 EGEB O=C1Nc2cc(Cl)ccc2N/C1=C\C(=O)c1ccc([N+](=O)[O-])cc1 104238101 YTAWDLWEQLDYOM-ZSOIEALJSA-N 343.726 3.379 30 40 EGEB C#CCN(Cc1ccc(C)cc1)C(=O)c1cc(-c2cccnc2)on1 58026101 KZFGVHLCBCEXOC-UHFFFAOYSA-N 331.375 3.321 30 40 EGEB COc1ccc(/C=C/C(=O)c2cnn(C(C)C)c2)c(OC)c1OC 58418970 XUBWERCHYLVVPZ-SOFGYWHQSA-N 330.384 3.386 30 40 EGEB CC(=O)N1CCN(c2ccccc2CNc2ccc(CC#N)cc2)CC1 97115657 HFJYHDXQUZMHIS-UHFFFAOYSA-N 348.450 3.033 30 40 EGEB N#Cc1ccsc1NC(=O)COc1ccc([N+](=O)[O-])cc1Cl 6062190 JEEKFPGFCQPSNV-UHFFFAOYSA-N 337.744 3.199 30 40 EGEB CC(=O)N[C@H](CC(=O)Nc1ccc(CC#N)cc1)c1cccs1 14527652 SMQAQECNPNAGLN-OAHLLOKOSA-N 327.409 3.020 30 40 EGEB CC(=O)Nc1sc2c(c1C#N)CCN(CCc1ccccc1)C2 19873294 QGAYUXGMWWSMMX-UHFFFAOYSA-N 325.437 3.179 30 40 EGEB N#CCCn1ncc2c(N[C@H]3CCC[C@H](C(F)(F)F)C3)ncnc21 97200314 CRLACMKULZAREU-QWRGUYRKSA-N 338.337 3.273 30 40 EGEB Cn1cnnc1Sc1ccc(NC(=O)c2ccc(CC#N)cc2)cc1 95442245 ISENMZHFZNGPMZ-UHFFFAOYSA-N 349.419 3.285 30 40 EGEB C#CCOc1ccc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc1 408939287 MGRQXQGYGAUNHE-XMHGGMMESA-N 344.370 3.141 30 40 EGEB C#CCOc1cccc(CN2C[C@H]3ON=C(c4ccc(C)cc4)[C@@H]3C2)c1 72343272 MYEGPJTXVIVWPW-NHCUHLMSSA-N 346.430 3.242 30 40 EGEB N#Cc1c(C(F)(F)F)nn(Cc2ccc(Br)cc2)c1N 225843320 HMNPAPWBENNGRY-UHFFFAOYSA-N 345.122 3.167 30 40 EGEB N#Cc1cc(N)ccc1Nc1ccc(I)cc1 41020567 BNALWGORXDPRBY-UHFFFAOYSA-N 335.148 3.489 30 40 EGEB N#CCCN(CCC(F)(F)F)C(=O)[C@H]1COc2ccc(F)cc2C1 95445448 IDGDOBUTCMNBDA-GFCCVEGCSA-N 344.308 3.071 30 40 EGEB CN(C)c1cc[n+](/C=C\C(=O)c2ccc(Br)cc2)cc1 33374007 JMMHNSUKHXZFCF-XFXZXTDPSA-N 332.221 3.156 30 40 EGEB C#CCN(C/C=C/c1ccccc1)S(=O)(=O)c1ccc(C)cc1 387572 RPSOKXVCPNBLRU-JXMROGBWSA-N 325.433 3.332 30 40 EGEB C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]3CCC(=O)O[C@]3(C)CC(=O)[C@@]12F 104014035 KZCAONRIBQAREG-CZAUZLFCSA-N 334.387 3.085 30 40 EGEB N#Cc1ccc(CN2CCc3c(ncn3CCc3ccccc3)C2)o1 97139332 BPAYMNHLGVFSRF-UHFFFAOYSA-N 332.407 3.149 30 40 EGEB COc1ccc(C(=O)Nc2sc3c(c2C#N)CCC3)c(OC)c1 1514812 IGQSGVQDKBRPPG-UHFFFAOYSA-N 328.393 3.378 30 40 EGEB CC1(C)[C@H](C=C(Cl)Cl)[C@H]1c1nc(C#N)c(N2CCOCC2)o1 8915983 LJMPDXBGTWWXJV-SKDRFNHKSA-N 342.226 3.441 30 40 EGEB N#Cc1cnc(Nc2cccc(N3CCC(O)CC3)c2)c(Cl)c1 95397329 ONHKQUIVYBDQJW-UHFFFAOYSA-N 328.803 3.311 30 40 EGEB C#CCN1CCC(C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 66800576 HRGLTGIRBJCPEG-HNNXBMFYSA-N 341.480 3.365 30 40 EGEB COc1ccc(/C=C2/COc3ccc(OC)cc3C2=O)c(OC)c1 96102409 NNLWITAFYDLVHV-JYRVWZFOSA-N 326.348 3.371 30 40 EGEB C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2ccccc2Cl)C1=O 7653944 OVNKAFHGVSSDBM-SFHVURJKSA-N 339.782 3.179 30 40 EGEB Cn1nc(C(C)(C)C)cc1C(=O)N[C@](C)(C#N)CCc1ccccc1 96483323 PWNYPLBTZMTZQU-FQEVSTJZSA-N 338.455 3.362 30 40 EGEB C[C@H]1CN(c2ccccc2NC(=O)N(CCC#N)C2CC2)C[C@@H](C)O1 71920215 TWWNFJLDEVKGQN-GASCZTMLSA-N 342.443 3.210 30 40 EGEB Cc1c(CNC[C@@H]2CCCn3cc(C(C)(C)C)nc32)cc(C#N)n1C 89536572 DWQICIAKUZCMGB-HNNXBMFYSA-N 339.487 3.366 30 40 EGEB COc1ccc(C2=C/C(=N/Nc3ccccc3C)C(=O)O2)c(OC)c1 408726136 PYOAEGZYXDJVEP-PGMHBOJBSA-N 338.363 3.378 30 40 EGEB COc1ccc(Cn2nc(OCc3ccc(C)cc3)c(C#N)c2N)cc1 225848059 LRMMAPYQZCBBLH-UHFFFAOYSA-N 348.406 3.281 30 40 EGEB C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1C(=O)NCC[C@@H]1C 194161166 ICKJWWZIEWEVCK-BBRMVZONSA-N 329.444 3.185 30 40 EGEB CCS[C@@H]1CCC[C@H](NS(=O)(=O)Cc2cccc(C#N)c2)C1 96452718 XFFWSLKVFKACCJ-JKSUJKDBSA-N 338.498 3.042 30 40 EGEB O=C(O)[C@@H](Cc1c[nH]c2ccccc12)/N=C(\O)c1ccccc1F 82095048 NKWCTBQGEYIWFO-MRXNPFEDSA-N 326.327 3.308 30 40 EGEB CSc1nc2n(n1)[C@H](c1ccc(F)cc1)C1=C(C[C@H](C)CC1=O)N2 14165055 JBPANFYMOLTLNF-BJOHPYRUSA-N 344.415 3.407 30 40 EGEB Cc1cc2cnn([C@H]3CCCCO3)c2cc1B1OC(C)(C)C(C)(C)O1 1857777705 ONFHYMFBOBJWGY-QGZVFWFLSA-N 342.248 3.343 30 40 EGEB COc1ccc(CNC(C)=C2C(=O)c3ccccc3C2=O)cc1OC 100936897 WCQDTMPVWZTVMY-UHFFFAOYSA-N 337.375 3.147 30 40 EGEB C[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3ccco3)c2C#N)C1 324651 AHTZTOKJEIRBTO-SECBINFHSA-N 345.449 3.464 30 40 EGEB C=CCNC(=O)CN1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 69669243 CEAXQPABXKJQHU-INIZCTEOSA-N 340.471 3.099 30 40 EGEB C=C[C@@H]1C[N+]2(C)CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12 6896964 SJTSZVLGFLZBFK-NHNDNAOHSA-N 339.459 3.318 30 40 EGEB Cc1ccc(N2C(=O)C[C@@H](C3=C(O)CC(C)(C)CC3=O)C2=O)cc1 8020149 HVNCTNFAZZTCGY-ZDUSSCGKSA-N 327.380 3.076 30 40 EGEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCc4ccccn4)[C@H]3C[C@H]12 12659960 BFJNQCPSOZSEFY-TWHPPBISSA-N 340.467 3.485 30 40 EGEB biogenic N#Cc1cccnc1N1CCO[C@@H](c2ccccc2Br)C1 58332085 DHAUSTTZTYGMKK-OAHLLOKOSA-N 344.212 3.294 30 40 EGEB C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(=O)c2ccccc2[nH]1 58393042 JTCHRTDSPPZNOB-UHFFFAOYSA-N 343.386 3.228 30 40 EGEB N#Cc1ccccc1-c1ccc(Cn2cccc([N+](=O)[O-])c2=O)cc1 58404106 PHYFAIZTWGVQBG-UHFFFAOYSA-N 331.331 3.343 30 40 EGEB Cc1ccc(CCC/C(O)=N/S(=O)(=O)c2c(C)nn(C)c2C)cc1 48534826 GIPZAHHPVNYEHC-UHFFFAOYSA-N 349.456 3.013 30 40 EGEB Cc1oc(NC(=O)CSc2nc3ccccc3n2C)c(C#N)c1C 8746502 HHVLXMMUNIIAKN-UHFFFAOYSA-N 340.408 3.386 30 40 EGEB C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1c(C)nn(CC)c1C 71882738 BWVSIDXFEZTLJZ-UHFFFAOYSA-N 342.399 3.256 30 40 EGEB Cc1ccc(S(=O)(=O)OC[C@@]23CC[C@@](C)([C@H](O)C2)C3(C)C)cc1 72207262 ZFXRPTRISLWUBJ-BPQIPLTHSA-N 338.469 3.278 30 40 EGEB Cc1ccc(S(=O)(=O)/N=C(\O)NC(C)(C)Cc2ccccc2)cc1 36126615 PCRHYLURIWMQSA-UHFFFAOYSA-N 346.452 3.209 30 40 EGEB Cc1ccccc1COc1nn(Cc2cccc(F)c2)c(N)c1C#N 225842038 USCUUZXHXBLAAP-UHFFFAOYSA-N 336.370 3.412 30 40 EGEB C[C@@H]1CCCCN1c1ccc(N(C)C(=O)C(F)(F)F)cc1C#N 226280286 AUYUUTMSUMPBSL-LLVKDONJSA-N 325.334 3.462 30 40 EGEB C=CCN1C(=O)CCC[C@]12CCCN(C(=O)Nc1ccccc1F)C2 96229947 WYOPBDSPZMTEOT-LJQANCHMSA-N 345.418 3.391 30 40 EGEB C=CCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)C1CCC1)C2 585106996 NLPCGSWDCQRHCD-OAQYLSRUSA-N 348.450 3.106 30 40 EGEB CC/C(=N/NS(=O)(=O)c1ccc(C)cc1)c1cccc(OC)c1 5640223 ZHBKXEXNMGPFRV-ZCXUNETKSA-N 332.425 3.096 30 40 EGEB CCc1nc(C)c([C@@H](C)N(C)S(=O)(=O)c2cccc(C#N)c2)s1 76062374 AIKDRWLPGNGWLN-GFCCVEGCSA-N 349.481 3.267 30 40 EGEB Cc1ccc(N[C@@H](C)c2ccc(C#N)cc2)cc1NS(C)(=O)=O 76083941 KWJMXPIYWHZSPK-ZDUSSCGKSA-N 329.425 3.411 30 40 EGEB CN(C)C(=O)Nc1cccc(CNc2ccc(C#N)cc2[N+](=O)[O-])c1 78340862 BEEUQOPCTBEYQA-UHFFFAOYSA-N 339.355 3.172 30 40 EGEB CCN(CC)[P+](N)(c1nc2ccccc2n1CC)N(CC)CC 6962482 GIDLIMYTXRDZPR-UHFFFAOYSA-N 336.444 3.086 30 40 EGEB Cc1cc(C(=O)O)ccc1/N=C/c1ccc(O[C@@H](C)C(=O)O)cc1 59249468 FXMVXGYYEDERMN-NJDFMEINSA-N 327.336 3.296 30 40 EGEB C=CC(=O)/N=C1/N=C2C=CC(Br)=CN2Cc2ccccc21 3180788 XOFIBHBYQROHBG-KNTRCKAVSA-N 342.196 3.166 30 40 EGEB N#Cc1c(F)cccc1NCCCS(=O)(=O)Cc1ccccc1 58333115 QQDOLIMXRHNKLI-UHFFFAOYSA-N 332.400 3.114 30 40 EGEB COc1cc(/C=N/c2ccc3nc(O)[nH]c3c2)cc2sc(=O)oc12 408974316 FBJZSPWWKQKKHY-REZTVBANSA-N 341.348 3.196 30 40 EGEB CN(Cc1ccccc1Cl)C[C@@H](O)COc1ccc(CC#N)cc1 14200891 WWNOEQQIHZXSIN-QGZVFWFLSA-N 344.842 3.278 30 40 EGEB COc1cc(/C=C2/COc3ccc(OC)cc3C2=O)cc(OC)c1 83969964 JADOLUQHBHBSQM-MLPAPPSSSA-N 326.348 3.371 30 40 EGEB C#CCN1CCC(C(=O)N[C@@H](C)c2ccc(-c3cccnc3)cc2)CC1 81000569 NPVCWVCIENSGHL-KRWDZBQOSA-N 347.462 3.271 30 40 EGEB C[C@@H](NC(=O)N[C@@H]1CCOC2(CCCC2)C1)c1cccc(C#N)c1 95426200 BKFLNKGQIIGRQT-RHSMWYFYSA-N 327.428 3.410 30 40 EGEB COc1cc(/C=N/Nc2ocnc2C#N)ccc1OCCC(C)C 26533148 SMYSFMAWKCRRIP-KEBDBYFISA-N 328.372 3.426 30 40 EGEB Cc1cc(=O)[nH]c(N/N=C\c2ccc(OCc3ccccc3)cc2)n1 31667485 NRVYORBMWHVAIV-NDENLUEZSA-N 334.379 3.103 30 40 EGEB CC1(C)[C@H]2OCC[C@H]2[C@H]1Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 78302868 YAQFDPSUBLSYFB-VUCTXSBTSA-N 338.367 3.240 30 40 EGEB CC(C)Cn1cc(C(F)F)c(/C(O)=N/S(=O)(=O)C2CCCC2)n1 96485931 NJXJJODECGDJRC-UHFFFAOYSA-N 349.403 3.054 30 40 EGEB Cc1ccc(N2C(=O)C(=O)N(CCCCC(C)(C)C#N)C2=O)c(C)c1 277757062 ROXZHFNXIMPNDI-UHFFFAOYSA-N 341.411 3.319 30 40 EGEB Cc1c(NCC(=O)N[C@@](C)(C#N)C(C)C)cccc1OC(F)F 69419695 MCQSFRVDPQUDKL-INIZCTEOSA-N 325.359 3.063 30 40 EGEB N#Cc1cc(NS(=O)(=O)c2cnc(Cl)cc2Cl)ccc1F 95454529 IEDQTPAAFZIVCE-UHFFFAOYSA-N 346.170 3.200 30 40 EGEB O=c1[nH]c2ccc(/N=C/c3c(F)c(F)c(F)c(F)c3F)cc2[nH]1 3239243 OMWMHMZXKCXFKL-LRNAUUFOSA-N 327.212 3.302 30 40 EGEB N#C[C@H](C(=O)CCc1c[nH]c2ccccc12)C(=O)NC1CCCCC1 50678892 HZXFXMSXYCDQIE-QGZVFWFLSA-N 337.423 3.258 30 40 EGEB COc1ccc(C(=O)C2CCN(C[C@H](C#N)CCC#N)CC2)cc1 32900884 MEXYSWUQGYOWHN-HNNXBMFYSA-N 325.412 3.033 30 40 EGEB CC(C)COC(=O)C[N+](C)(C)CCO[C@H]1C[C@@H]2CC[C@]1(C)C2(C)C 100583990 ZCGXPPMGQSXPBJ-ZWOKBUDYSA-N 340.528 3.493 30 40 EGEB COc1ccc(NC(=O)[C@H](C#N)Cc2ccc(OC)cc2OC)cc1 57523315 NQPJZAANKPHOPR-AWEZNQCLSA-N 340.379 3.033 30 40 EGEB CCCCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCC1 2195671 FROQFDHYSKHDRN-AWEZNQCLSA-N 338.411 3.180 30 40 EGEB C=CCN(CC(F)(F)F)C(=O)c1ccc(OC(F)F)c(OC)c1 58344733 OYQBDEIDCABNDB-UHFFFAOYSA-N 339.260 3.487 30 40 EGEB CN(C)CCCNc1oc(COc2cccc(Cl)c2)nc1C#N 2419898 ZIASWKFZVGUFRU-UHFFFAOYSA-N 334.807 3.142 30 40 EGEB N#Cc1cccnc1NC[C@H]1CCN(Cc2nc3ccccc3o2)C1 65512074 KKCMHPBTOCOHHC-CQSZACIVSA-N 333.395 3.028 30 40 EGEB O=C1Nc2ccccc2/C1=N\N=C\c1ccc(Cl)c([N+](=O)[O-])c1 4964292 DQAPKYTYYVJYDU-CAOOACKPSA-N 328.715 3.024 30 40 EGEB C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2sccc2C#N)CC1=O 9253313 YUPWMKYHAQJOTQ-DOMZBBRYSA-N 339.420 3.168 30 40 EGEB C[C@H](NC1(CNc2ncccc2C#N)CCOCC1)c1ccccc1 72282327 MPPOXUXWCCZDON-INIZCTEOSA-N 336.439 3.265 30 40 EGEB C#Cc1cccc(N(CC)S(=O)(=O)Cc2ccc(Cl)nc2)c1 96427908 IQVKDLKQXKHUQN-UHFFFAOYSA-N 334.828 3.073 30 40 EGEB N#Cc1cccc(CN2CCC(NC(=O)Nc3ccsc3)CC2)c1 593169187 NLOHSKZPYVESRD-UHFFFAOYSA-N 340.452 3.406 30 40 EGEB O=C1ON=C(c2ccc(Cl)cc2)/C1=C/c1ccc2c(c1)OCO2 12436595 BDYAXRKNUFVHHY-QPEQYQDCSA-N 327.723 3.413 30 40 EGEB COc1ccc(/C=C2\Oc3cc(OC(=O)N(C)C)ccc3C2=O)cc1 12859565 SBSWUNJAUDECHP-YVLHZVERSA-N 339.347 3.372 30 40 EGEB biogenic Cc1[nH]c2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccccn3)cc2c1C 102387422 RPEYGNDPKUUIFG-OAHLLOKOSA-N 332.363 3.141 30 40 EGEB CCOc1ccc(CC(=O)Nc2ncccc2OCCCC#N)cc1 69709665 RHAPCULRQJGWCS-UHFFFAOYSA-N 339.395 3.344 30 40 EGEB O=C(C[n+]1cccc(Br)c1)c1ccc2c(c1)CCCC2 1669549 RHHURLFQPCPLPP-UHFFFAOYSA-N 331.233 3.498 30 40 EGEB CCCCCCCC[C@H](Sc1nnc(O)nc1O)C(=O)OCC 104210082 HFAXYWDXLCVREV-NSHDSACASA-N 343.449 3.057 30 40 EGEB CCN1C(=O)[C@@H](CC(=O)O)S/C1=N/c1cccc2ccccc12 107037618 OEWFVFWQEQUALJ-IAFNSTAXSA-N 328.393 3.266 30 40 EGEB Cc1ccc(SCC(=O)Nc2c(C#N)cnn2-c2ccccc2)nc1 58244738 UJKKMBBDNBSRPY-UHFFFAOYSA-N 349.419 3.178 30 40 EGEB N#C[C@@H](C(=O)CCc1c(F)cccc1F)c1nnc2n1CCCCC2 58264289 FCCVDGLQZGHVTK-ZDUSSCGKSA-N 344.365 3.092 30 40 EGEB C=CCNc1nc2ccccc2nc1NS(=O)(=O)c1cccs1 2408920 VOEUOQXHSJYVSP-UHFFFAOYSA-N 346.437 3.090 30 40 EGEB Cc1nnc(SCC#CCOC(=O)c2ccc(Cl)cc2)s1 6479900 JCBLRGSPDCBIBU-UHFFFAOYSA-N 338.841 3.452 30 40 EGEB Cc1cccc(C(=O)N2CCCC2)c1NC(=O)C#Cc1ccccc1 95430391 XOUQKWCVRFJOTO-UHFFFAOYSA-N 332.403 3.221 30 40 EGEB Cc1cc([C@@H](C#N)C(=O)c2cc(C)n(-c3ccccn3)c2C)nc(C)n1 89599354 KETHMSVBMDAMBA-QGZVFWFLSA-N 345.406 3.386 30 40 EGEB C[C@H](CCOc1ccc2ccc(=O)oc2c1)C1=CC(=O)C(C)(C)O1 1761923 GXTVQAPXQFZGLW-GFCCVEGCSA-N 328.364 3.460 30 40 EGEB biogenic N#Cc1c(F)cccc1S(=O)(=O)N1CCC[C@@H]1c1ccsc1 96427727 HIDCOKJLXWRIFD-CQSZACIVSA-N 336.413 3.285 30 40 EGEB Cc1cccc(C(=O)OC(C)(C)C)c1NC(=O)c1ccc(C#N)cn1 585126309 WBLGPQPYIIWIDD-UHFFFAOYSA-N 337.379 3.469 30 40 EGEB C=CCSCC(=O)NC1(c2ccc(Cl)cc2)CCOCC1 71185112 YFXFESATJWPBBQ-UHFFFAOYSA-N 325.861 3.381 30 40 EGEB COC(=O)[C@H](Cc1cnc[nH]1)N=C(c1ccccc1)c1ccccc1 13002737 CUWILEAFPRNUMW-SFHVURJKSA-N 333.391 3.031 30 40 EGEB Cc1ccc(S(=O)(=O)CSc2nc(C)cc(C)c2C#N)cc1 16309102 SBAUHEVGFFSZBX-UHFFFAOYSA-N 332.450 3.402 30 40 EGEB O=[N+]([O-])c1ccc(N/N=C\CCc2ccccc2O)c([N+](=O)[O-])c1 17419458 JPTIANRFZNFEKJ-SXGWCWSVSA-N 330.300 3.239 30 40 EGEB O=C1/C(=C/N2CCOCC2)CCc2nc(-c3ccccc3)sc21 1582897 UEUFIIPMYFYONF-WYMLVPIESA-N 326.421 3.155 30 40 EGEB C=C(Br)CSCCCN1C(=O)c2ccccc2C1=O 60513877 YIGWEMVGIKHKBX-UHFFFAOYSA-N 340.242 3.315 30 40 EGEB COc1ccc(OC)c(C(=O)N[C@](C)(C#N)CCc2ccccc2)c1 79352596 AJVZJPSXFDHGAP-FQEVSTJZSA-N 338.407 3.349 30 40 EGEB COc1c2c(cc3c1[C@@H]([C@H](C#N)c1ccccc1)N(C)CC3)OCO2 102808200 ZFNRSRSOZRYKBW-CRAIPNDOSA-N 336.391 3.260 30 40 EGEB biogenic CCOC(=O)c1cc(C#N)c(SCc2noc(C(C)C)n2)nc1C 52889601 WYWWEGIEZZAGGS-UHFFFAOYSA-N 346.412 3.237 30 40 EGEB CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(F)cc1F 47011322 GVJRUHWAUKKBEE-UHFFFAOYSA-N 343.377 3.040 30 40 EGEB C/N=c1\scc(-c2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccc(C)o1 12602937 IXOJMLHEPRCVJR-USUQQFSKSA-N 342.380 3.439 30 40 EGEB COc1ccc(/C=C2\Oc3cc(OC(C)=O)ccc3C2=O)c(OC)c1 12860487 OZCOGOPKYUDWJD-LSCVHKIXSA-N 340.331 3.245 30 40 EGEB biogenic Cc1cc(C)c(C#N)c(N2CCC(NC(=O)Nc3ccccc3)CC2)n1 91458469 OQCHSWKRTABGIU-UHFFFAOYSA-N 349.438 3.361 30 40 EGEB COCCSc1ccc([C@H](C)NC(=O)c2ccc(C#N)cn2)cc1 69415398 IGIRBBFJSCZONO-ZDUSSCGKSA-N 341.436 3.183 30 40 EGEB C#CCN(C(=O)c1cnn(CC(C)C)c1C(F)F)c1nccs1 89999800 PKALEJSKBXLLMA-UHFFFAOYSA-N 338.383 3.213 30 40 EGEB C=CCN(C)C(=O)[C@@H]1Cc2c[nH]c3cccc(c23)[C@H](CC(C)C)N1 49172006 AJFYYRCSNCIXFC-ROUUACIJSA-N 325.456 3.414 30 40 EGEB biogenic,in-vitro C=CCN1CCC[C@@]12CCCN(C(=O)c1ccc3ncccc3c1)C2 96071446 CKWNJAFSXQCNMY-OAQYLSRUSA-N 335.451 3.491 30 40 EGEB C=CCOc1ccc(/C=C2/CS(=O)(=O)c3ccccc3C2=O)cc1 96400367 AOQSJONTZDZPEP-QINSGFPZSA-N 340.400 3.305 30 40 EGEB Nc1ccc(C(=NNc2ccc([N+](=O)[O-])cn2)c2ccc(N)cc2)cc1 18129332 KOQDCVVLPXKMBL-UHFFFAOYSA-N 348.366 3.019 30 40 EGEB CN1CCN(C(=O)/C=C/c2ccccc2C#N)[C@@H](c2ccccc2)C1 30030496 YMXLTGGUHCCLLH-YVNCXZRQSA-N 331.419 3.087 30 40 EGEB N#Cc1ccc(NCC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 21355407 WAQBLVURLNPFER-JSGCOSHPSA-N 325.334 3.207 30 40 EGEB N#Cc1ccsc1NC(=O)CCN1CCC[C@@H](C(F)(F)F)C1 21472277 QAUDXGNAKSYEDN-LLVKDONJSA-N 331.363 3.223 30 40 EGEB Cc1cc(C)n(-c2ccc(CNc3ccc([N+](=O)[O-])c(C#N)c3)cn2)n1 97144512 NQSGFBBHHYMQAP-UHFFFAOYSA-N 348.366 3.276 30 40 EGEB CCOC(=O)/C(=N\Nc1ccc(Br)cc1)N[C@@H](C)CC 3186261 ZFUGDUSCIRAKFG-JTQLQIEISA-N 342.237 3.126 30 40 EGEB C=CCN(Cc1ccccc1F)C(=O)CN(C)C(=O)c1cccs1 58282479 NUSTZNIYEHRZFO-UHFFFAOYSA-N 346.427 3.174 30 40 EGEB C=CCNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl 12924828 DJFOKHRQSPPDFV-AWEZNQCLSA-N 343.254 3.440 30 40 EGEB CCOc1cc(/C=N/N=c2/[nH]c3cc(OC)ccc3s2)ccc1O 27027884 OBHPPLKBZKZXAJ-VCHYOVAHSA-N 343.408 3.277 30 40 EGEB CN1C(=O)C[C@@H](C(=O)Nc2ccccc2)S/C1=N\c1ccccc1 4897708 SHRXNGRLVPMQQC-ZJYNUGOYSA-N 339.420 3.277 30 40 EGEB C=CCOc1ccc(C(=O)N[C@H](C)COc2ccc(OC)cc2)cc1 219639573 RFJJHHFRIAWLAM-OAHLLOKOSA-N 341.407 3.457 30 40 EGEB C[C@H]1C[C@H]2[C@@H]3CC[C@](C)(O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12 4720684 LZRQDFQQYIQZLG-YEYOAGGMSA-N 332.484 3.486 30 40 EGEB biogenic,in-vitro C=CCN(c1cccc(F)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225031300 FDOOBMUJINTYLP-UHFFFAOYSA-N 336.344 3.115 30 40 EGEB N#Cc1ccc(/C=C/C(=O)NCc2ccc(-n3cccn3)cc2)cc1 40106973 KCKJPJAGUXVYGU-DHZHZOJOSA-N 328.375 3.074 30 40 EGEB C=CCn1c(Sc2nccn3cnnc23)nnc1-c1ccccc1C 390833089 BYEZKJZJZFHVEK-UHFFFAOYSA-N 349.423 3.028 30 40 EGEB N#Cc1ccc(CN2CCC[C@@H](C(=O)N3CCC(F)(F)CC3)C2)cc1 2298196413 QTRKSFGHVHYEQH-QGZVFWFLSA-N 347.409 3.028 30 40 EGEB CCOC(=O)c1cc(-c2ccc(/C=N\n3cnnc3)o2)ccc1Cl 293611 CKULKCOMIUQYDK-ZBKNUEDVSA-N 344.758 3.250 30 40 EGEB CC(C)Oc1ncccc1CNC(=O)[C@H]1C[C@@H]1c1cccc(C#N)c1 78985602 FUNSYLSADKHRPO-MSOLQXFVSA-N 335.407 3.160 30 40 EGEB Cn1/c(=N\N=C(\CCC(=O)O)c2cccs2)sc2ccccc21 106351242 VPTYMYYZDCNEMC-FWBCWGBVSA-N 345.449 3.471 30 40 EGEB COc1ccc(CN(C(=O)c2cccc(C#N)c2)C2CC2)c(OC)c1 25291766 PHLHZCZGVIXFQQ-UHFFFAOYSA-N 336.391 3.380 30 40 EGEB CCCCc1nc(CN2CCN(c3cc(C#N)ccn3)CC2)cs1 47859119 AMTWJWGXOLGBGA-UHFFFAOYSA-N 341.484 3.075 30 40 EGEB C[C@H](Nc1ncccc1C#N)c1ccc(N2CCN(C)CC2)c(F)c1 57140165 KNCUOOSSBXWBFA-AWEZNQCLSA-N 339.418 3.017 30 40 EGEB N#Cc1cccc(S(=O)(=O)NCC2(c3ccccc3)CCCC2)c1 10667974 FEFNCVRCROJODJ-UHFFFAOYSA-N 340.448 3.349 30 40 EGEB COc1cc([C@@H]2C3=C(CCCC3=O)Nc3onc(C)c32)ccc1O 13689863 CUVVQDLJPGQKGB-INIZCTEOSA-N 326.352 3.262 30 40 EGEB C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCC[C@H](C(F)(F)F)C1 9048766 OWGAMMJDMVFECU-AAEUAGOBSA-N 325.334 3.160 30 40 EGEB C/C(=N\Nc1ccc(C(=O)O)cc1)c1cccc(N2CCOC2=O)c1 96291691 IQXIIQCURKVZCB-XDHOZWIPSA-N 339.351 3.178 30 40 EGEB Cc1ccc(/C(O)=N/S(=O)(=O)c2ccnc(Cl)c2)cc1Cl 95467927 ASIXTCKYJSPGHJ-UHFFFAOYSA-N 345.207 3.390 30 40 EGEB COCCCCCn1nc(C(=O)OC)cc1-c1ccccc1C#N 95992752 KLHDITPPFNVIMQ-UHFFFAOYSA-N 327.384 3.025 30 40 EGEB C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)cc(OC)c1OCC 408818035 OTGYPQCSVODBJU-UVTDQMKNSA-N 333.409 3.489 30 40 EGEB CC/N=C(\NCc1ccco1)NC[C@H]1CCO[C@@H]1c1ccccc1 104202021 VULPIPWCHYAHGN-SJLPKXTDSA-N 327.428 3.113 30 40 EGEB N#Cc1cccc(CNc2ccc3nnc(-c4ccccc4F)n3n2)c1 57138344 YOKOADRSFSLULC-UHFFFAOYSA-N 344.353 3.414 30 40 EGEB COC(=O)c1ccc(/C=C/C(=O)N(CCC#N)Cc2ccco2)cc1 58282225 PIGGASQJSBBSNZ-JXMROGBWSA-N 338.363 3.022 30 40 EGEB COc1ccc(/C(N)=N/OCc2ccc(F)c3cccnc23)cc1 58370358 MVAMKIRMRUKSPF-UHFFFAOYSA-N 325.343 3.220 30 40 EGEB COc1ccc([C@H]2CCN(C(=O)NCc3ccc(C#N)cc3)C2)cc1 58370166 XTPYQGVCRWVTJH-SFHVURJKSA-N 335.407 3.266 30 40 EGEB Cn1c(SCCOc2ccc(C#N)cc2)nc2ccsc2c1=O 12771384 YYOZJNFHILVHNY-UHFFFAOYSA-N 343.433 3.038 30 40 EGEB O=C(Nc1cccc(C#Cc2ccccc2)c1)[C@@H]1CC(=O)N(C2CC2)C1 12785451 ZHWKMOBVJKKWKU-GOSISDBHSA-N 344.414 3.036 30 40 EGEB CC/N=C1/S[C@H](CC(=O)Nc2ccc(Cl)cc2)C(=O)N1CC 18265481 LDWJLKZUBFBIGU-OPGVCCBYSA-N 339.848 3.008 30 40 EGEB Cc1ccc(-c2c[n+](CC(=O)Nc3ccccc3)c3n2CCC3)cc1 13770090 MKWPYROABAONGW-UHFFFAOYSA-O 332.427 3.336 30 40 EGEB CCN(CCC#N)C(=O)CNc1ccc(C)c(NC(=O)C(C)(C)C)c1 88533528 WSPCCMDAXFDBIE-UHFFFAOYSA-N 344.459 3.154 30 40 EGEB CC[C@H](C)Oc1ccccc1C=NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 409404662 LQFSYJGBQLKPNB-TZUPDSNESA-N 338.407 3.005 30 40 EGEB Cc1ccc2c(c1)CC[C@H]2NS(=O)(=O)c1ccc(Cl)c(C#N)c1 511929083 XEBLEPGTJWNZRO-QGZVFWFLSA-N 346.839 3.486 30 40 EGEB N#Cc1ccc(OCCSc2nccn2Cc2ccccn2)cc1 79037953 LVTQRIFOCGLSGW-UHFFFAOYSA-N 336.420 3.369 30 40 EGEB COC(=O)c1cccc(/N=C/c2ccc(O[C@H](C)C(=O)O)cc2)c1C 39557396 SVVINGPWLOSFHY-AYPRBGQRSA-N 341.363 3.384 30 40 EGEB CCCCSc1nc(N)c(C#N)c(COc2ccc(OC)cc2)n1 223694283 SQCCZPMNZRPWBB-UHFFFAOYSA-N 344.440 3.410 30 40 EGEB C=CCN1CCC[C@@]12CCCN(C(=O)Nc1cccc(OC)c1)C2 96214798 BHZLWAUEAVBSHW-LJQANCHMSA-N 329.444 3.344 30 40 EGEB C[C@@H]1C[C@H](c2ccsc2)CN1S(=O)(=O)Cc1cccc(C#N)c1 96421281 LQILCPPQPNVGNK-DYVFJYSZSA-N 346.477 3.328 30 40 EGEB CC(C)(C)c1ccc(C#N)c(OCc2nc(CC(F)(F)F)no2)n1 585140262 BEHYPWKHPJRCIX-UHFFFAOYSA-N 340.305 3.318 30 40 EGEB CCc1cnc([C@H](C)N[C@H](C(=O)OC)c2cccc(C#N)c2)s1 83032658 RMGKCKBBSUYNSP-NHYWBVRUSA-N 329.425 3.142 30 40 EGEB N#Cc1cccc(C(=O)NCC2CCN(Cc3ccsc3)CC2)c1 43971567 DQAFOUJHYLVIPL-UHFFFAOYSA-N 339.464 3.262 30 40 EGEB COc1ccc(C(=O)/C=C2/Nc3cc(C)ccc3OC2=O)c(OC)c1 101355701 BWDPWQFORQWOSX-XNTDXEJSSA-N 339.347 3.110 30 40 EGEB C=CCNC(=O)c1ccccc1NC(=O)c1ccc2ncsc2c1 32847998 HKAWYMWYQGWMGM-UHFFFAOYSA-N 337.404 3.464 30 40 EGEB C=CCN(CC=C)C(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1 69416396 NZYLVCCXSHAEQH-UHFFFAOYSA-N 342.420 3.282 30 40 EGEB COc1ccccc1C(=O)NC(=S)Nc1sc(C)c(C)c1C#N 9140938 WEQUJQUDJRQSDE-UHFFFAOYSA-N 345.449 3.372 30 40 EGEB Cc1ccc(N2CCOCC2)c(/N=C/c2cc([N+](=O)[O-])ccc2O)c1 57351143 LZNVNDKCBJFHPA-XDHOZWIPSA-N 341.367 3.196 30 40 EGEB CCN(CC)c1nc(N)c(C#N)c([C@@H](C#N)Cc2ccccc2)c1C#N 25286878 VQVKGWCIJJFHDE-OAHLLOKOSA-N 344.422 3.103 30 40 EGEB CCn1cnnc1[C@H]1CCCN(c2c(C#N)cnc3ccccc23)C1 91627376 GYHFECNHGMFPLA-AWEZNQCLSA-N 332.411 3.102 30 40 EGEB C=CCNC(=O)[C@H](C)OC(=O)c1ccc(Oc2ccc(F)cc2)cc1 8522965 UTDDKMIMCQPUSQ-ZDUSSCGKSA-N 343.354 3.466 30 40 EGEB Cc1ccc2nc(C3=C(N)N(C4CCCCCCC4)CC3=O)[nH]c2c1 5182886 SNOLFIZCPGKARD-UHFFFAOYSA-N 338.455 3.496 30 40 EGEB C=CCN1C(=O)S/C(=C\c2cccn2-c2ccc(O)cc2)C1=O 4687772 KHVJDGGBMGWJSD-PTNGSMBKSA-N 326.377 3.405 30 40 EGEB N#Cc1c(COC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cn2ccccc12 14897392 OEVBUKHFNMNTPB-BQYQJAHWSA-N 347.330 3.476 30 40 EGEB C=CCNc1nnc(SCC(=O)Nc2cccc(C)c2C)s1 5785108 BEUOOGZCRFGRDK-UHFFFAOYSA-N 334.470 3.484 30 40 EGEB Cc1[nH]c2ccccc2c1/C(O)=N/S(=O)(=O)Nc1ccccc1 5749090 LEFDJUYLVCCIGX-UHFFFAOYSA-N 329.381 3.138 30 40 EGEB CCN(CC)C(=O)CCCNc1nc(C(F)(F)F)ccc1C#N 71908975 AZBWGQGULYBHBN-UHFFFAOYSA-N 328.338 3.033 30 40 EGEB Cc1noc(CCNC(=O)c2ccccc2Oc2ccccc2C#N)n1 97046784 QHIXWXXTYHUCFD-UHFFFAOYSA-N 348.362 3.015 30 40 EGEB Cc1ccc(NCCCNC(=O)c2ccccc2SCC#N)nc1 85383420 BEDAFZIDXRTDSK-UHFFFAOYSA-N 340.452 3.238 30 40 EGEB N#CCS(=O)(=O)N[C@@H](Cc1ccccc1Cl)c1ccccc1 89826441 MSIIIMKVUBDXQF-INIZCTEOSA-N 334.828 3.067 30 40 EGEB N#C[C@H](C(=O)Nc1ccccn1)C(=O)c1cnc(-c2ccccc2)s1 125243523 AVVNVJYMGZFGGD-ZDUSSCGKSA-N 348.387 3.166 30 40 EGEB CCc1ccc([C@H]2[C@@H](C=O)[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1 218648619 JKOZAAVSJCUHMX-QYZOEREBSA-N 328.433 3.312 30 40 EGEB COc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1OC 33816270 XGJZNCFLLPQSAX-XSFVSMFZSA-N 326.396 3.291 30 40 EGEB C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)N(C)Cc1ccc(C#N)cc1 330788831 YYBWXPFQASMJBD-JEWRLFTDSA-N 327.472 3.319 30 40 EGEB CC[C@H](Sc1nc(C)cc(C)c1C#N)C(=O)Nc1cc(C)on1 90723 XVPHEPFXSOOTFW-ZDUSSCGKSA-N 330.413 3.376 30 40 EGEB N#Cc1c(F)cccc1NCc1ccccc1CN1CCC(O)CC1 76064233 SODNVZFSQMRHLE-UHFFFAOYSA-N 339.414 3.266 30 40 EGEB N#C[C@@H](C(=O)CCc1cccc(Cl)c1)C(=O)Nc1ccccn1 103717480 UWHVAPFZTGFUAA-AWEZNQCLSA-N 327.771 3.015 30 40 EGEB CCN(Cc1ccc(C#N)cc1F)C(=O)c1cccnc1SC 44573631 NDFZWPCAYNCZCV-UHFFFAOYSA-N 329.400 3.477 30 40 EGEB CC1=C2[C@H]3OC(=O)[C@H](CN4CCC[C@H](C)C4)[C@@H]3CC[C@@]2(C)C=CC1=O 12658216 DOKPHLDPKYIWJE-XFFRTAJLSA-N 343.467 3.132 30 40 EGEB biogenic N#Cc1ccc(N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)nc1 45026478 MBSAVDGDVYBXOJ-UHFFFAOYSA-N 332.407 3.014 30 40 EGEB N#C[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NCCc1ccccc1 49545798 OCUUXGPLGNPTPN-HNNXBMFYSA-N 335.382 3.348 30 40 EGEB C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)NCCC 5354237 XJNPUBPILHQIMK-UHFFFAOYSA-N 334.807 3.498 30 40 EGEB Cn1cc(C#N)cc1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 96007641 QXVDJNZPRRMDHS-UHFFFAOYSA-N 338.245 3.076 30 40 EGEB C=C(C)CN1CCC(NC(=O)Nc2cnn(-c3ccccc3)c2)CC1 96422011 ZTNRPNHQDWCGAO-UHFFFAOYSA-N 339.443 3.034 30 40 EGEB N#Cc1ccc(-c2cnc(CNc3ccc(-n4nccn4)cc3)o2)cc1 95405437 JQWPMEHKQCQOBU-UHFFFAOYSA-N 342.362 3.406 30 40 EGEB C=C(C)COCCNC(=O)Nc1ccc(-c2nccc(C)n2)cc1 89701915 UVFCNSWMHJBXAE-UHFFFAOYSA-N 326.400 3.166 30 40 EGEB COC(=O)c1ccc(C)c(/N=C/c2ccc(N3CCOCC3)cc2)c1 409104208 GOGNWXCRXCCOOQ-KGENOOAVSA-N 338.407 3.369 30 40 EGEB N#CCOc1cccc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c1 409039808 WVIAXXFYRNEKCB-QPSGOUHRSA-N 343.202 3.303 30 40 EGEB COC(=O)c1ccc(/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1Cl 408962014 FMTGZNJMUCCYBA-CAOOACKPSA-N 334.715 3.491 30 40 EGEB C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)C1=O 4721881 IZLVPOBNINIXJM-BUMFJRDRSA-N 332.415 3.172 30 40 EGEB biogenic,in-vitro N#Cc1cnc2ccc(Cl)cc2c1N1CCC(n2cncn2)CC1 96429324 DJUDHKZRYWJOFF-UHFFFAOYSA-N 338.802 3.193 30 40 EGEB Cc1ccccc1C[C@@H](C)/N=C(/O)C(C)(C)n1cc([N+](=O)[O-])cn1 330031916 FXINHEBNYNWMCQ-CYBMUJFWSA-N 330.388 3.423 30 40 EGEB CCCOC(=O)C[N+](C)(C)CCO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 100729935 YPXYMOSBZGQIMQ-GPMSIDNRSA-N 326.501 3.247 30 40 EGEB N#Cc1ccc(Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)cc1 4932742 GUSQPHAWSKNERL-UHFFFAOYSA-N 329.285 3.279 30 40 EGEB Cc1nnc(N2CCC[C@@H](c3nc4ccccc4o3)C2)c(C#N)c1C 42103805 BCPJECOFMWFYLL-CQSZACIVSA-N 333.395 3.490 30 40 EGEB N#Cc1cc([N+](=O)[O-])ccc1N1CCC([C@H](O)c2ccccc2)CC1 23074994 OFPZANNQJQLKBB-LJQANCHMSA-N 337.379 3.416 30 40 EGEB CCCN1C(=O)/C(=N/NC(=S)Nc2ccccc2)c2ccccc21 26964123 TUFWTKKLKKHOOV-CAPFRKAQSA-N 338.436 3.134 30 40 EGEB C=CCN(CC(F)(F)F)C(=O)/C=C/c1ccc(OC)c(OC)c1 58290559 QHDARSAQHFBXHH-SOFGYWHQSA-N 329.318 3.294 30 40 EGEB C[C@@H](O/N=C/c1ccc2c(c1)OCO2)C(=O)Nc1cccc(Cl)c1 3322635 IDMYTVOYBOEYER-YXZFXQPTSA-N 346.770 3.446 30 40 EGEB C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@]2(C)C1=O 118919268 IZLVPOBNINIXJM-ARJOIFCISA-N 332.415 3.172 30 40 EGEB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)NCCC#N)c2n1 12739806 RXADJAAOIMZFGN-UHFFFAOYSA-N 338.194 3.259 30 40 EGEB C=C(C)COc1ccc2c(C)c(CCC(=O)NC3CC3)c(=O)oc2c1 6759006 LGBXMQDBZATASR-UHFFFAOYSA-N 341.407 3.268 30 40 EGEB COc1ccc(C/N=C\c2ccc(O[C@@H](C)C(=O)O)c(OC)c2)cc1 409014566 QEVWERORCPOSAY-RQZLXBNYSA-N 343.379 3.175 30 40 EGEB C=CCOc1ccc(/C=C2\SC(NC(C)=O)=NC2=O)cc1Cl 409023070 HBQPJPOETGFQCN-JYRVWZFOSA-N 336.800 3.011 30 40 EGEB N#Cc1ccc([C@H](C(N)=O)N2CC[C@@H]2c2ccc(Cl)cc2)cc1 95431465 HJVJIZUPAQKKKD-IAGOWNOFSA-N 325.799 3.185 30 40 EGEB CC(=O)/N=C1\NC(=O)/C(=C\c2ccc(-c3ccc(F)cc3F)o2)S1 33295178 MFUQWIWIAJSSOH-VGOFMYFVSA-N 348.330 3.331 30 40 EGEB N#Cc1ccc(CNC2(Cc3cc(-c4ccccc4)on3)COC2)cc1 72321926 QTQWTVVCENYFKO-UHFFFAOYSA-N 345.402 3.315 30 40 EGEB biogenic,in-vitro O=S(=O)(/N=C(\O)[C@H]1CCOc2ccccc21)c1ccc(F)cc1 77558656 SGOSJQWLRPTHPC-AWEZNQCLSA-N 335.356 3.037 30 40 EGEB COc1ccccc1CN(C)CC(=O)Nc1c(C#N)oc2ccccc12 48230576 YDBFLGWAIJPOIE-UHFFFAOYSA-N 349.390 3.384 30 40 EGEB O=[N+]([O-])c1ccc(-c2nc(/C=N/N3CCSCC3)cs2)s1 1567531 UAPKWJMIKHIXBN-NTUHNPAUSA-N 340.455 3.163 30 40 EGEB N#Cc1ccccc1NC(=O)c1cnc(O[C@H]2CCOC2)c(Cl)c1 245053570 PAJKBXMKJPWKNG-ZDUSSCGKSA-N 343.770 3.027 30 40 EGEB Cc1ccc(OCCN2C(=O)/C(=N/O)c3cc(Cl)ccc32)cc1 100756141 FKHMQHTUIBQXNX-KNTRCKAVSA-N 330.771 3.252 30 40 EGEB N#CCSc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1 32876779 SSQCHNMSZPADAH-GFCCVEGCSA-N 339.424 3.221 30 40 EGEB N#CCOc1cccc(CNC(=O)[C@@H]2SCCc3sccc32)c1 76066279 DKLQHLZDHANKTO-MRXNPFEDSA-N 344.461 3.297 30 40 EGEB Cc1ccc(-c2nc(C(=O)[C@H](C#N)C(=O)NC(C)C)cs2)c(C)c1 103707948 QJIXBJJAKGXBQX-AWEZNQCLSA-N 341.436 3.274 30 40 EGEB C=CCNC(=O)c1ccccc1NC(=O)c1cc(F)ccc1OC 23464827 GMSFBEQQNHCAPO-UHFFFAOYSA-N 328.343 3.002 30 40 EGEB CC(C)(C#N)c1ccc(NC(=O)[C@H]2CCCN(c3ncccn3)C2)cc1 25440331 JNVTXHKJSNIXKX-HNNXBMFYSA-N 349.438 3.133 30 40 EGEB C/C(=C\C(=O)c1c(O)c2ccccc2n(C)c1=O)Nc1ccccc1 101153874 GFJJWBHYUPSKRR-OUKQBFOZSA-N 334.375 3.443 30 40 EGEB N#Cc1nc(C2CC2)oc1N1CCN(Cc2cccc(F)c2F)CC1 58157959 ISOSVOQONAHCLR-UHFFFAOYSA-N 344.365 3.024 30 40 EGEB N#Cc1ccc(C(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)cc1 58277417 TWCXEYRANRLXKH-CQSZACIVSA-N 341.361 3.093 30 40 EGEB N/C(=N/OC/C=C/c1ccccc1)c1ccnc(N2CCCCC2)c1 58370944 ZMYUQSFETVPSFA-JXMROGBWSA-N 336.439 3.422 30 40 EGEB N#Cc1cnc(N[C@H](CO)Cc2c[nH]c3ccccc23)c(Cl)c1 71922320 IUYKKRUKUIXOII-ZDUSSCGKSA-N 326.787 3.103 30 40 EGEB C=CCOC(=O)c1nnc2c(-c3ccc(Cl)cc3)c(C)nn2c1C 20633601 YLLOUUIZMXDKPY-UHFFFAOYSA-N 342.786 3.404 30 40 EGEB COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCC#N 4646508 OVYWLWRPMPCVJS-SFQUDFHCSA-N 347.374 3.404 30 40 EGEB N#CC1(NC(=O)COc2ccccc2Br)CCCCC1 4957511 ICSCOYBBRYXOOJ-UHFFFAOYSA-N 337.217 3.171 30 40 EGEB CCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O 9419354 XTNSIPDOQROLGJ-MFOYZWKCSA-N 342.322 3.384 30 40 EGEB CC(C)(C)C(=O)Nc1cnn(CCCOc2cccc(C#N)c2)c1 89621353 LWCJBANAKXWMFF-UHFFFAOYSA-N 326.400 3.208 30 40 EGEB CCn1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccn2)c2ccccc21 138942344 VFQRHMPYSHIYFO-CQSZACIVSA-N 332.363 3.017 30 40 EGEB CC(C)n1cc(C(=O)/C=C/c2ccccc2OCCC(=O)O)cn1 585136179 UULXZWNFZIIQRV-BQYQJAHWSA-N 328.368 3.214 30 40 EGEB C=C(C)CN(CC)C(=O)NC1CCN(c2ccccc2OC)CC1 50135977 XVUTYAXJTOBIHT-UHFFFAOYSA-N 331.460 3.272 30 40 EGEB Cc1cccc2sc(N3CCN(c4ccc(C#N)nc4)CC3)nc12 1458571150 IAXHNBFLRBBXMB-UHFFFAOYSA-N 335.436 3.198 30 40 EGEB C=CCOc1ccc(C(=O)N2CCC(Oc3ccccn3)CC2)cc1 76019159 KIXZPMRSORGPIB-UHFFFAOYSA-N 338.407 3.330 30 40 EGEB C=CCOC(=O)c1sc(NC(=O)COc2cccc(C)c2)nc1C 2668415 MBVMZDITSRNLMY-UHFFFAOYSA-N 346.408 3.120 30 40 EGEB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccncc1 6618594 PMYLDABADFLNMG-HYARGMPZSA-N 326.359 3.341 30 40 EGEB CCCN(Cc1ccc(C#N)cc1)Cn1ncn(C2CC2)c1=S 54515972 FYOXAMVCFCSHLF-UHFFFAOYSA-N 327.457 3.490 30 40 EGEB C[C@]12CN(NC(=O)c3ccccc3Cl)[C@]3(C#N)C[C@@H]1CC[C@]23C 100920465 XBCBLBTZXMRLHC-BIMQEMHKSA-N 329.831 3.389 30 40 EGEB C=CCc1cc(/C=N/n2c(C)nc3ccccc3c2=O)cc(OC)c1O 57779147 FJCRFUOKIIELDC-CIAFOILYSA-N 349.390 3.030 30 40 EGEB CC(C)[C@@H]1C[C@H](CN2CCN(Cc3ccccc3)[C@@H](C#N)C2)CCO1 108171222 PWLQEBLEJOEYFZ-HKBOAZHASA-N 341.499 3.148 30 40 EGEB O=S(=O)(/N=C(\O)CC[C@H]1CCCO1)c1ccc(Cl)cc1F 58168874 QVXKLHSBIOXMFZ-SNVBAGLBSA-N 335.784 3.084 30 40 EGEB Cc1cc(NC(=O)c2ccc(Br)s2)n(CCC#N)n1 58225853 ORCLJPXQGWJCHH-UHFFFAOYSA-N 339.218 3.182 30 40 EGEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4CCC[C@@]4(C)CC[C@@H]32)[C@@H]1O 118915209 LGMXWRFZIGLDKL-AFWRVKQNSA-N 346.467 3.421 30 40 EGEB CC(C)(C)NC(=O)CC1(C(=O)OCc2cccc(C#N)c2)CCCC1 28362261 UKFYEJHNIYSMFO-UHFFFAOYSA-N 342.439 3.467 30 40 EGEB COc1ccc(NC(=O)[C@@H](C)Oc2ccc(/C(C)=N\O)cc2)cc1 13115856 ZOHHXJQOQLECCJ-UAAGNOOKSA-N 328.368 3.299 30 40 EGEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccccc1)n1nnnc1N2 18200747 VZSJHKCKKLCYOC-KXBFYZLASA-N 343.390 3.089 30 40 EGEB N#Cc1c(F)cccc1N1CCN(C(=O)CCC2CCCC2)CC1 65554844 TYTZGWUOKPDEJV-UHFFFAOYSA-N 329.419 3.316 30 40 EGEB CC1=C(C(=O)c2ccccc2)[C@H](c2c(F)cccc2F)NC(=O)N1 5517390 UALULKAIMJYLAN-MRXNPFEDSA-N 328.318 3.476 30 40 EGEB C=CCN1C(=O)c2ccc(C(=O)N[C@H](C)c3cccs3)cc2C1=O 9155314 JFUGJHAUDQNIHC-LLVKDONJSA-N 340.404 3.021 30 40 EGEB N#Cc1c(F)cccc1N1CCN(Cc2ccncc2Cl)CC1 72304874 DTPYNMNWLQKQTP-UHFFFAOYSA-N 330.794 3.068 30 40 EGEB Cc1nn(C)c(Cl)c1[C@H]1CCCN1C(=O)c1ccc(C#N)cc1 75602147 VKPBKDQWFRXDAP-CQSZACIVSA-N 328.803 3.231 30 40 EGEB N#Cc1ccc(NC(=O)NCC2(c3ccccc3)CCOCC2)cc1 31094832 HCAANEZEZIGNFW-UHFFFAOYSA-N 335.407 3.428 30 40 EGEB N#Cc1cc(Br)cnc1N1CCC[C@H]1[C@@H]1CCCOC1 567768427 NFUVRRJQBQOWHD-RISCZKNCSA-N 336.233 3.111 30 40 EGEB CCCCn1c(C#N)cc(N)c1N1CCN(Cc2ccccc2)CC1 225871832 LFZRYQANMKTTEU-UHFFFAOYSA-N 337.471 3.064 30 40 EGEB O=C(NCC#CCN1CCCC1)NC(c1ccccc1)c1ccccc1 75164693 SQIKEKQQNMPSSI-UHFFFAOYSA-N 347.462 3.174 30 40 EGEB Cc1ccccc1COc1nn(Cc2ccccc2F)c(N)c1C#N 225841227 WUTLZBPPIHNPIR-UHFFFAOYSA-N 336.370 3.412 30 40 EGEB Cc1cccc(S(=O)(=O)N2CC[C@@H](Cc3ccccc3)C2)c1C#N 133518053 JUPNULROYHFFPP-KRWDZBQOSA-N 340.448 3.120 30 40 EGEB C[C@H](/N=C(/O)c1c(F)ccc(O)c1F)c1nc(C(C)(C)C)no1 330881689 ZNEMVGCLLKAJDB-ZETCQYMHSA-N 325.315 3.417 30 40 EGEB COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(CC#N)cc1 144683229 YNIDSVRWHZSETJ-UHFFFAOYSA-N 336.800 3.215 30 40 EGEB COCCOc1ccc(C#N)cc1NC(=O)Nc1ccc(O)cc1C 390835557 QQCQSZQGEWFBMS-UHFFFAOYSA-N 341.367 3.242 30 40 EGEB COC1CCN(c2ccc(C(=O)Nc3ccc(C#N)cc3)cc2)CC1 239808066 KFQFRXMQXSCYIO-UHFFFAOYSA-N 335.407 3.426 30 40 EGEB N#Cc1cccc(CN2CC(Oc3ccnc(C(F)(F)F)c3)C2)c1 1775975192 BRCYPCDFMSLSEY-UHFFFAOYSA-N 333.313 3.235 30 40 EGEB N#Cc1ccccc1N1CCCN(C(=O)CCc2ccsc2)CC1 46849864 LOICDZVVRHOLQF-UHFFFAOYSA-N 339.464 3.291 30 40 EGEB CCN(Cc1ccc(C#N)cc1F)C(=O)N[C@@H](C)c1cnn(C)c1C 47006947 QUMBMWLARSOZEE-LBPRGKRZSA-N 343.406 3.032 30 40 EGEB CCC[C@@]1(c2ccccc2)NC(=O)N(Cc2ccccc2C#N)C1=O 7981884 RFBKXFDNZRIQTJ-FQEVSTJZSA-N 333.391 3.306 30 40 EGEB O=c1c(/C=N/C2CC2)c(-c2ccccc2)[nH]n1-c1ccc([N+](=O)[O-])cc1 103782475 QMMAVBRYARYBAA-UDWIEESQSA-N 348.362 3.322 30 40 EGEB Cc1ccc(S(=O)(=O)N/N=C/c2ccc(OCC(C)C)cc2)cc1 59565386 WGMSDTILTQUQLM-XDHOZWIPSA-N 346.452 3.342 30 40 EGEB C=CCNC(=O)c1cc(C)nc2c1cnn2Cc1ccc(CC)cc1 14169975 GVRFPKCWWNEFID-UHFFFAOYSA-N 334.423 3.266 30 40 EGEB Cc1ccc(-c2cs/c(=N\N=C\c3ccc(O)cc3O)[nH]2)cc1 4582247 ABFGPZORLOTVDS-GIJQJNRQSA-N 325.393 3.398 30 40 EGEB C=CCNC(=S)Nc1cccc(-c2nnc3n2CCCCC3)c1 7582533 TWDIEHZWXFVWFE-UHFFFAOYSA-N 327.457 3.144 30 40 EGEB Cc1nn(CN(CCC#N)Cc2cccnc2)c(C)c1Br 68611921 MIFANHBVLMTOBF-UHFFFAOYSA-N 348.248 3.031 30 40 EGEB N#Cc1cccc(C(=O)NCCc2coc(-c3ccc(F)cc3)n2)c1 69492764 AHJHIWQBCYSTBS-UHFFFAOYSA-N 335.338 3.325 30 40 EGEB Cc1nnc(N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)c(C#N)c1C 301928448 ZQTSFZHBXPBGMB-LBPRGKRZSA-N 345.809 3.448 30 40 EGEB O=C1N/C(=N/c2ccccc2F)S/C1=C/c1ccc(O)c(O)c1 110701135 MJJZTMURUMLZOF-RIYZIHGNSA-N 330.340 3.129 30 40 EGEB N=C(N/N=C\c1ccc(Cl)cc1)N/N=C\c1ccc(Cl)cc1 36617824 MOOFYEJFXBSZGE-QJUDHZBZSA-N 334.210 3.475 30 40 EGEB C#Cc1cccc(N(Cc2ccncc2)C(=O)Cc2cc(C)on2)c1 193551178 XQVHPGJUPPEZSO-UHFFFAOYSA-N 331.375 3.135 30 40 EGEB Cc1c([C@H](C)NC[C@@H](O)c2ccco2)cnn1-c1ccc(C#N)cc1 195553449 JKEJZKBTKWTWTI-SCLBCKFNSA-N 336.395 3.030 30 40 EGEB COc1cccc(-c2noc([C@@H](C)NC(=O)C3(C#N)CCCC3)n2)c1 96432735 NBCKDIDUAQHJFM-GFCCVEGCSA-N 340.383 3.006 30 40 EGEB COC(=O)Cn1/c(=N/N=C\c2ccc(C)cc2)sc2ccccc21 17175165 OOFDZNIJQXUNBK-VTGDJEONSA-N 339.420 3.119 30 40 EGEB CC1(C)[C@@H]2CC[C@]1(C)/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2=O 103722971 MUGWRNJDZWKRAM-FMVLYGKSSA-N 346.343 3.296 30 40 EGEB COc1cccc(C(=O)OCC(=O)Nc2sc(C)c(C)c2C#N)c1 8332626 UHRGDFRFGJGMGR-UHFFFAOYSA-N 344.392 3.041 30 40 EGEB COCCOc1ccc(C#N)cc1NC(=O)C1CCC(F)(F)CC1 97106978 RVPBBSJAZBIPPO-UHFFFAOYSA-N 338.354 3.347 30 40 EGEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCN(C)c1ccccc1 12543981 KFZUYQJTTGFWCT-UHFFFAOYSA-N 348.406 3.117 30 40 EGEB CCC(=O)Nc1ccccc1C(=O)OC/C(=N/O)c1ccccc1 102519834 SZVOKNALKZMGME-SILNSSARSA-N 326.352 3.070 30 40 EGEB N#CC1(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2)CC1 95399379 FNGHSCKFVHNYNB-UHFFFAOYSA-N 345.402 3.066 30 40 EGEB CN(C(=O)CSC[C@@H](O)c1ccccc1)C1(C#N)CCCCC1 65609985 YQDIJUBPSJPNGR-MRXNPFEDSA-N 332.469 3.138 30 40 EGEB CCN(CC)c1ccc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)c(OC)c1 5585329 WZYJTVMLFMYHCW-UDWIEESQSA-N 338.411 3.462 30 40 EGEB CC(C)(C)OC(=O)N1CCC(C(=O)OCc2ccc(C#N)cc2)CC1 6906203 DTVWQSMQRNJBTN-UHFFFAOYSA-N 344.411 3.249 30 40 EGEB C[C@]12CC[C@H]3[C@@H]([C@@H](N4CC4)CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2O 118917942 TVLJGVSJCIAMRD-UJPCIWJBSA-N 329.484 3.173 30 40 EGEB CN(CC#N)C(=O)c1cc(COc2c(Cl)cccc2Cl)on1 89335307 MZSXFWAXHKFSDJ-UHFFFAOYSA-N 340.166 3.156 30 40 EGEB CC(C)Cc1nc(Cn2cc(C#N)c(=O)c3cc(Cl)ccc32)no1 79350823 OJRZZVDAONCYOQ-UHFFFAOYSA-N 342.786 3.156 30 40 EGEB N#Cc1ccncc1N1CCN(C(=O)c2cccc3ccccc23)CC1 95455613 CZBYMXLMCJXSBD-UHFFFAOYSA-N 342.402 3.069 30 40 EGEB C=C(Br)CN1CCC[C@@H](c2nnc3n2CCCCC3)C1 57753714 KZVUPAHTSLFSQQ-CYBMUJFWSA-N 339.281 3.093 30 40 EGEB Cc1cccc(-c2n[nH]c(=S)n2/N=C/c2ccc(O)cc2O)c1 6055697 SJHXZSGHGZHYNR-RQZCQDPDSA-N 326.381 3.210 30 40 EGEB CCOC(=O)CSc1cc(-c2ccc(Cl)cc2)oc(=O)c1C#N 16682868 JGGWJWUSZIYWIA-UHFFFAOYSA-N 349.795 3.487 30 40 EGEB Cc1cc(Cl)cc(C#N)c1OCc1nnc([C@H]2CCCOC2)o1 591599961 AUBPSLDQYYZLBY-NSHDSACASA-N 333.775 3.376 30 40 EGEB Cc1nc(C)c(CN2CCC[C@H](COc3cc(C#N)ccn3)C2)s1 1776001466 VAGIOFFZWIUAMI-INIZCTEOSA-N 342.468 3.318 30 40 EGEB C#CCn1/c(=N\C(=O)c2cc(C)no2)sc2cc(Cl)ccc21 101135199 AFHGDLZKNVSMJR-BMRADRMJSA-N 331.784 3.027 30 40 EGEB CCNC(=S)N/N=C/c1cc(C)n(-c2ccc(OCC)cc2)c1C 6561304 AZXFMWOZMSHVHU-UDWIEESQSA-N 344.484 3.311 30 40 EGEB N#Cc1cccc(/C=C/C(=O)NCCCN2CCc3ccccc3C2)c1 25015257 QARVGGRVJZLAIO-MDZDMXLPSA-N 345.446 3.136 30 40 EGEB CCCOc1ccccc1OCC(=O)Oc1ccc(C#N)cc1OC 22926136 NVTHETMVGFPYGH-UHFFFAOYSA-N 341.363 3.340 30 40 EGEB CN(CC(=O)N[C@](C)(C#N)C1CC1)C1CCC(c2ccccc2)CC1 58248983 IDGGTOKOLFCULZ-CNBHCMJISA-N 339.483 3.453 30 40 EGEB Cc1cccc(OCC(=O)[C@H](C#N)c2nnc(-c3ccccc3)n2C)c1 58282310 VMASIOBMNYHTDH-KRWDZBQOSA-N 346.390 3.046 30 40 EGEB N#Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)o2)cc1 3401226 MGSZTKITXBSMMF-UHFFFAOYSA-N 342.405 3.401 30 40 EGEB N#Cc1ccsc1NC(=O)CSc1ncnc2sccc12 3604334 UDHIGEZAWBFNJK-UHFFFAOYSA-N 332.435 3.355 30 40 EGEB Cc1ccsc1/C=C1\Oc2cc(OS(C)(=O)=O)ccc2C1=O 13786765 CCFIFFAVVMUJIW-JYRVWZFOSA-N 336.390 3.011 30 40 EGEB CC(=O)Nc1ccc(/C(C)=N/OCC(=O)N[C@@H]2CCCC[C@@H]2C)cc1 14397337 MNHOSFMCNXYHBR-BZYSPDKRSA-N 345.443 3.081 30 40 EGEB N#Cc1ccc(/C=C2/COC/C(=C\c3ccc(C#N)cc3)C2=O)cc1 72295139 POYXDOHCZWTASD-KFSYKRRRSA-N 326.355 3.496 30 40 EGEB COc1ccc([C@H](C)/C(O)=N/S(=O)(=O)c2ccc(F)cc2)cc1 78665005 VNRIHEBCPAQRDM-NSHDSACASA-N 337.372 3.283 30 40 EGEB CC(C)(C)c1ccc(C(=O)NCC(=O)Nc2ccccc2CC#N)cc1 569990695 FKKKBAVPTRDIES-UHFFFAOYSA-N 349.434 3.419 30 40 EGEB O=C[C@H]1[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 225670641 URYHGLJASKDYSV-ARFHVFGLSA-N 338.787 3.234 30 40 EGEB Cc1[nH]c2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccccn3)cc2c1C 102387426 RPEYGNDPKUUIFG-HNNXBMFYSA-N 332.363 3.141 30 40 EGEB COc1ccccc1C[C@H](C)N(C)C(=O)NCc1cccc(C#N)c1 175443211 ACCXHEVHEOYUKB-HNNXBMFYSA-N 337.423 3.339 30 40 EGEB C=CC(C)(C)N1C(=O)C(C(C)=O)=C(O)[C@@H]1Cc1c[nH]c2ccccc12 104247602 GFYLTEZAERBSRX-INIZCTEOSA-N 338.407 3.287 30 40 EGEB Cc1noc(C)c1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 44551896 SVOIGBMGXKAVRM-UHFFFAOYSA-N 339.273 3.357 30 40 EGEB C=CCNC(=O)[C@H](C)Nc1ccc(NC(=O)c2cccs2)cc1 58192679 WWGFEINJTKYXST-LBPRGKRZSA-N 329.425 3.103 30 40 EGEB COC(=O)c1oc(CO/N=C(/N)Cc2ccccc2Cl)cc1C 58407041 OBHMMPQAGPANFS-UHFFFAOYSA-N 336.775 3.060 30 40 EGEB COC(=O)C(C(=O)CSc1ccccc1)=C1Nc2ccccc2N1 6497720 INVIHSZKYVRGLS-UHFFFAOYSA-N 340.404 3.270 30 40 EGEB CN(CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccc(Cl)cc1Cl 6609938 WRONFDJUAWBUDN-INIZCTEOSA-N 340.254 3.234 30 40 EGEB Cc1c(C#N)c(NC(=O)CN2CCCC2)n(-c2cccc(F)c2)c1C 8142195 KCZFVGCBAILVIY-UHFFFAOYSA-N 340.402 3.139 30 40 EGEB N#CC1(C(=O)NC2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)CCCC1 71894238 RSEWSCGIYCTYHB-YQQQUEKLSA-N 337.467 3.382 30 40 EGEB CC(=O)Nc1ccc(F)c(C(=O)Nc2cc(C#N)cn2C(C)(C)C)c1 72271666 GHEDZHYGEUXKFT-UHFFFAOYSA-N 342.374 3.465 30 40 EGEB Cc1cc(C)nc([C@@H](C#N)C(=O)c2cccc(OC(F)(F)F)c2)n1 121490799 QIUTVSVNTJPMKS-ZDUSSCGKSA-N 335.285 3.482 30 40 EGEB C=C(C)CN1CCN(c2cc(C)nc3c(-c4ccccc4)cnn23)CC1 40216574 BXPUZEHTDMWEFM-UHFFFAOYSA-N 347.466 3.403 30 40 EGEB CCOc1cc(CCCNC(=O)C2(C#N)CCCC2)ccc1OC 96412223 XAYULRPZRANMLO-UHFFFAOYSA-N 330.428 3.227 30 40 EGEB CCOc1ccc(C(=O)N(C)C)cc1NCc1cc(C#N)ccc1F 96455529 KETHLLCYVUSDAG-UHFFFAOYSA-N 341.386 3.410 30 40 EGEB CCOc1ccccc1[C@H]1C2=C(C[C@@H](C)CC2=O)Nc2nc(C)nn21 14608150 BWNFTXAUAASZKS-ZMZPIMSZSA-N 338.411 3.253 30 40 EGEB C[C@@](C#N)(NC(=O)CN(Cc1ccccc1)Cc1ccco1)C1CC1 42979153 GMQHZTCWDUWQJL-FQEVSTJZSA-N 337.423 3.090 30 40 EGEB Cc1[nH]c2ccccc2c1CCNCc1ccc(/C=C\C(=O)NO)cc1 51951647 FPOHNWQLNRZRFC-KHPPLWFESA-N 349.434 3.327 30 40 EGEB fda C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(C#N)c1 56197441 TVGHPVMUCWZIMV-CHWSQXEVSA-N 338.367 3.144 30 40 EGEB CCCCCCCCCCCCC(=O)N1C[C@H](O)C[C@H]1C(=O)O 103637530 LYGFQYMZWLCANQ-CVEARBPZSA-N 327.465 3.344 30 40 EGEB COc1ccc(-c2cc(C(=O)Nc3ccccc3C#N)n[nH]2)c(OC)c1 57412916 RYBAOUMTNKTFEB-UHFFFAOYSA-N 348.362 3.218 30 40 EGEB O=C(/C=C/c1cccc(Br)c1)c1ccccc(=O)c1O 19909653 VYXPRNHERPGBMS-CMDGGOBGSA-N 331.165 3.411 30 40 EGEB Cc1cccc(N2CCN(CC[C@H](C)Nc3ccc(C#N)cn3)CC2)c1 29621057 NMCDGRXMDXVMCN-SFHVURJKSA-N 349.482 3.274 30 40 EGEB C[C@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1ccccc1C#N 7848493 AFKUWWWSDMLEDH-AWEZNQCLSA-N 348.406 3.124 30 40 EGEB CSc1nc(O)c(C(=O)N[C@@H]2c3ccccc3C[C@H]2C)cc1C#N 77009818 KBAKZJWNAYVRJV-BMIGLBTASA-N 339.420 3.044 30 40 EGEB C#CC(C)(C)OC[C@@H](O)C[N+]1(Cc2ccccc2)CCCCCC1 226071933 RDDBJXYQTZDHEA-FQEVSTJZSA-N 330.492 3.367 30 40 EGEB COc1cccc(/C=N\Nc2ccc([N+](=O)[O-])cn2)c1OC(C)C 137883637 RENLPKFMNZXXBG-NVMNQCDNSA-N 330.344 3.232 30 40 EGEB C=CCN1CCC[C@]12CCCN(C(=O)c1cccc3cccnc13)C2 96071451 GNCLBDFLSICPHS-NRFANRHFSA-N 335.451 3.491 30 40 EGEB C=CCN1C(=O)CCC[C@@]12CCCN(Cc1ccc(OC)cc1)C2 96050010 OCXZRAOIDNHWTB-FQEVSTJZSA-N 328.456 3.228 30 40 EGEB C[C@H]1C[C@@H]1c1ccc(CN(C)S(=O)(=O)c2cccc(C#N)c2)o1 22246389 BMIJJLTZVHOGOO-LRDDRELGSA-N 330.409 3.095 30 40 EGEB C=CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccc(F)cc1 101231787 IXZDOUVKWZTKBL-HVESIFNPSA-N 337.350 3.433 30 40 EGEB Cc1nc(SCC(=O)O)c(C#N)c(C)c1CC(=O)c1ccccc1 33399 OMKSCEZGTOGLLV-UHFFFAOYSA-N 340.404 3.172 30 40 EGEB CCN(C[C@@H](C)C#N)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 40539795 DVONUKVXAZXNSG-ZDUSSCGKSA-N 340.402 3.122 30 40 EGEB CCCCCCCCCC(=O)N[C@H](C(=O)O)[C@@H](O)c1ccccc1 100922138 HKUCLNWSOJJBSV-ROUUACIJSA-N 335.444 3.430 30 40 EGEB C[C@H](OC[C@H]1CCCCO1)C(=O)Nc1cc(C#N)cn1C(C)(C)C 78665243 JMFDTJMRJNEBPK-DZGCQCFKSA-N 333.432 3.027 30 40 EGEB C=CCn1c(SC)nc2sc3c(c2c1=O)C[C@H](C(C)C)OC3 519872 MODQMRGIDRRSDR-LLVKDONJSA-N 336.482 3.463 30 40 EGEB C=CCNC(=O)COc1cccc(-c2noc(-c3ccccc3C)n2)c1 33327287 WHJNEAIUICHEAW-UHFFFAOYSA-N 349.390 3.393 30 40 EGEB CCN(C(=O)C1CCN(c2ccc(C#N)cn2)CC1)C1CCCCC1 22534169 BXHPRDNZQCLBDN-UHFFFAOYSA-N 340.471 3.351 30 40 EGEB COC(=O)c1ccccc1NC(=O)COc1ccc(C#N)cc1Cl 7856175 NLYWUBHGMGILTD-UHFFFAOYSA-N 344.754 3.016 30 40 EGEB COc1ccc(C(=O)/C=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 7939574 VUFIGDOOXXGARI-QPJJXVBHSA-N 327.292 3.228 30 40 EGEB C=C(C)CSc1nnc(N2CCC(C)CC2)n1C[C@@H]1CCCO1 54809849 VBPOUCCUFTXMQC-HNNXBMFYSA-N 336.505 3.362 30 40 EGEB CC(C)[C@@H](NC(=O)c1cccc(C#N)c1)c1ccc2c(c1)OCCO2 6789681 AUIFRQCPTYEQHP-LJQANCHMSA-N 336.391 3.457 30 40 EGEB C[C@H](Cc1cccc(F)c1)/C(O)=N/S(=O)(=O)c1ccc(F)cc1 69282479 DLZSYYMSPADRKC-LLVKDONJSA-N 339.363 3.489 30 40 EGEB CCOc1ccc(CCC(=O)N(CCC#N)Cc2cccnc2)cc1 69530946 ZBXURODRUIMGLJ-UHFFFAOYSA-N 337.423 3.355 30 40 EGEB C=CCN(c1ccc(C)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225016749 SWOKEVONWNPHRC-UHFFFAOYSA-N 332.381 3.285 30 40 EGEB CCN(Cc1ccoc1)S(=O)(=O)Cc1ccc(Cl)cc1C#N 95993352 SXCYEZYIANRKMH-UHFFFAOYSA-N 338.816 3.157 30 40 EGEB CC(C)N1CCc2nc(NC(=O)c3ccc(C#N)cc3)sc2C1 15880200 VOPZGXKBMIUMAG-UHFFFAOYSA-N 326.425 3.034 30 40 EGEB COc1ccc(/C=C2\Oc3c(ccc(O)c3CN(C)C)C2=O)cc1 13653761 DSXPXGQWHHKIMD-YVLHZVERSA-N 325.364 3.079 30 40 EGEB COc1ccc(/C=N/OCC(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)cc1 2815102 KHBNNPYVSGEVEI-QAEKNQLUSA-N 344.455 3.473 30 40 EGEB N#C[C@@H](C(=O)[C@H]1CC(c2ccccc2)=NO1)c1nc2ccccc2o1 54736430 LSNSZTZLDGDBSA-SUMWQHHRSA-N 331.331 3.197 30 40 EGEB CC(=O)Nc1ccc(/N=C/c2ccc(O[C@@H](C)C(=O)O)cc2)cc1 59678922 JAJNRAPMUFFIIQ-MKFNJMOCSA-N 326.352 3.248 30 40 EGEB CC(C)Oc1ccc(C(=O)OCC(=O)Nc2ccc(C#N)cc2)cc1 3281335 AMCZKBSXVHIRFN-UHFFFAOYSA-N 338.363 3.141 30 40 EGEB C/C(=N\N=c1/[nH]n2cnnc2c2ccccc12)c1ccccc1Cl 6780409 USWMAYLVXNUHMH-RGVLZGJSSA-N 336.786 3.189 30 40 EGEB C=CCOc1ccc(CN(C)CC(=O)N[C@H]2CCCC[C@H]2C)cc1 7579872 ZOYVNIKQRHQQMD-APWZRJJASA-N 330.472 3.378 30 40 EGEB CN(Cc1cccc(Cl)c1)S(=O)(=O)Cc1ccc(C#N)cc1 16729448 QCGYXPWAIHEKGY-UHFFFAOYSA-N 334.828 3.173 30 40 EGEB Cn1cnc2cc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)ccc21 97038917 UICMQNCATFESQT-LBPRGKRZSA-N 344.296 3.477 30 40 EGEB CN1CCc2c(sc(NC(=O)CSc3ccccc3)c2C#N)C1 408582377 NHYUHUHXTSOOKD-UHFFFAOYSA-N 343.477 3.338 30 40 EGEB COc1ccc(C2=C/C(=N/Nc3ccc(C)cc3)C(=O)O2)c(OC)c1 408724620 CKNIYVUTQAUQGU-PGMHBOJBSA-N 338.363 3.378 30 40 EGEB C#C[C@@H](NC(=O)c1cccc(SC(F)(F)F)c1)C1CCOCC1 583651599 OYKOZAPCXYLTQK-CQSZACIVSA-N 343.370 3.457 30 40 EGEB C[C@]12CC[C@@H]3[C@@H](C[C@@H]4O[C@@]45CC4(CC[C@]35C)OCCO4)[C@H]1CCC2=O 253500195 YXFMREIBQXTTRD-UIGUTPNQSA-N 346.467 3.473 30 40 EGEB biogenic N#Cc1cc(F)cc(I)c1Br 575688879 WEBVIRDMSGWGOU-UHFFFAOYSA-N 325.906 3.064 30 40 EGEB Cc1ccccc1N1C(=O)[C@@H](CC(=O)O)S/C1=N\C1CCCC1 3601321 LEJNKBPIMVOEKT-MGPWXQLLSA-N 332.425 3.217 30 40 EGEB CCOc1ccc(/C=N/NS(=O)(=O)c2cc(C)ccc2C)cc1 2630848 NJWJOPUTPKXGCM-LDADJPATSA-N 332.425 3.015 30 40 EGEB C#CCn1/c(=N/C(=O)C2CCCCC2)sc2cccc(OC)c21 100910162 QFUDKRLCKXAZJL-HNENSFHCSA-N 328.437 3.352 30 40 EGEB C=CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccc(F)cc1 101231785 IXZDOUVKWZTKBL-GROYHEBESA-N 337.350 3.433 30 40 EGEB N#Cc1ccc(Nc2ccc(CN3CCOC3=O)cc2)c([N+](=O)[O-])c1 40153858 NNTUWARERFOJIF-UHFFFAOYSA-N 338.323 3.162 30 40 EGEB COc1c(F)cc(NC(=O)NCc2cc(C#N)ccc2F)cc1F 76069651 XJVJEPUHVAUKKP-UHFFFAOYSA-N 335.285 3.306 30 40 EGEB CC(C)n1cc(C#N)c(NC(=O)N(C)C[C@@H](C)c2nccs2)n1 97107508 NBSFLDFPVQLENW-LLVKDONJSA-N 332.433 3.060 30 40 EGEB C/C(=N\NC(=S)Nc1ccccc1)c1ccc2c(c1)OCCO2 58654687 LQKJYUIZJKZXIF-XDHOZWIPSA-N 327.409 3.168 30 40 EGEB COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1Cl 19315004 WUFDQBHZZWKXNM-INIZCTEOSA-N 331.799 3.481 30 40 EGEB Cc1ccc(C(=O)N[C@H](C(=O)Oc2ccc(C#N)cc2)C(C)C)cc1 6779418 IJJOVDXPNAQZJG-SFHVURJKSA-N 336.391 3.227 30 40 EGEB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1cccc(C#N)c1 7807713 XQFLFQYMTSXZPZ-KRWDZBQOSA-N 339.370 3.090 30 40 EGEB COc1ccc(C(=O)C2=C(O)C(=O)N[C@@H]2c2ccc(Cl)cc2)cc1 16971878 XILJOPTZYIHMRD-OAHLLOKOSA-N 343.766 3.215 30 40 EGEB C[C@@H](CC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)C1CC1 71828332 PRZHVOZBIMSVER-INIZCTEOSA-N 325.456 3.029 30 40 EGEB CC[C@H](NC[C@H](O)c1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 95984560 LNMLDUQBCZYEMI-ROUUACIJSA-N 338.407 3.104 30 40 EGEB CN(CC#CCNC(=O)c1ccc(Cl)cc1)Cc1ccccc1 75165121 DPWWWRGWNDDEGS-UHFFFAOYSA-N 326.827 3.205 30 40 EGEB N#Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 43739596 PUOLNYHVPQFJDK-CYBMUJFWSA-N 339.782 3.203 30 40 EGEB C=CCOC(=O)c1cc(NC(=O)C(F)(F)F)ccc1N(CC)CC 226279086 SXKHZWHXGDLCOC-UHFFFAOYSA-N 344.333 3.376 30 40 EGEB C=C(C)COc1ccc([C@@H]2CC(=O)Oc3cc(C)[nH]c(=O)c32)cc1 96114654 JUQAPPIQTQKQII-HNNXBMFYSA-N 325.364 3.079 30 40 EGEB biogenic C=CCSCC(=O)NC1CCN(c2nc3ccccc3s2)CC1 65926027 SBXSCYVXMNUPGR-UHFFFAOYSA-N 347.509 3.301 30 40 EGEB N#Cc1c(NC(=O)C[C@H](C(=O)O)c2ccccc2)sc2c1CCC2 16482404 NLFYKEVYSFEWCI-ZDUSSCGKSA-N 340.404 3.305 30 40 EGEB COc1ccc2ccccc2c1/C=N/Nc1nnnn1-c1ccccc1 4372921 XLJDYVDKNPYKIX-DEDYPNTBSA-N 344.378 3.270 30 40 EGEB C[C@H]1CCCC[C@H]1NC(=O)CO/N=C/c1ccccc1OC(F)F 6047113 WPSYKOVAFMWVCN-SLPNZFHTSA-N 340.370 3.333 30 40 EGEB COc1ccccc1[C@H](C#N)NC(=O)c1ccccc1Br 79047027 GJXWFUYRYWYUES-AWEZNQCLSA-N 345.196 3.452 30 40 EGEB C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 69737996 MZPXWNGGGMQQAV-GDBMZVCRSA-N 341.411 3.381 30 40 EGEB CCCCS[C@@H](C)/C(O)=N/S(=O)(=O)c1cccc(C#N)c1 58246468 DPNAQEZUXHZBNO-NSHDSACASA-N 326.443 3.125 30 40 EGEB C[C@H]1CCCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1 58315192 BHFXKMRZHQROSH-AWEZNQCLSA-N 329.419 3.172 30 40 EGEB CCc1ccsc1C(=O)N[C@@H](C#N)c1cccc(OC)c1OC 69817027 XFKSPXLCRQZJBC-ZDUSSCGKSA-N 330.409 3.322 30 40 EGEB C=CCSc1nnc(NC(=O)Cc2ccc(OC)c(F)c2)s1 7921649 YUCFBKVXIPLXIX-UHFFFAOYSA-N 339.417 3.145 30 40 EGEB C[C@@H](CN(C)C)CN1c2ccccc2[S@@](=O)c2ccc(C#N)cc21 65739491 KCPHNCFJFKSBMD-BSEYFRJRSA-N 339.464 3.374 30 40 EGEB in-vitro N#Cc1cc(-c2ccccc2)sc1NC(=O)COC[C@H]1CCCO1 71904438 CXZKUKRKRQAOPI-OAHLLOKOSA-N 342.420 3.421 30 40 EGEB CC[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1cnn(C)c1 97016861 PRNBPWOIAQJXHT-AEFFLSMTSA-N 341.434 3.141 30 40 EGEB CCc1nn(Cc2cc(C)nc3ccccc23)c(=O)c(C#N)c1CC 89282594 NMEMXCPNTNYPLD-UHFFFAOYSA-N 332.407 3.145 30 40 EGEB CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NCc1ccc(C#N)cc1 75107972 CCSCNGXXQFKQNG-IAGOWNOFSA-N 329.444 3.484 30 40 EGEB O=C1CSC(=S)N1/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 35517992 PJTCIKWDMJGLMM-CHHVJCJISA-N 347.377 3.049 30 40 EGEB O=C1Nc2ccc(C(F)(F)F)cc2/C1=N/Nc1ccc(C(=O)O)cc1 223746206 UESJOZWCWFNPAI-UHFFFAOYSA-N 349.268 3.172 30 40 EGEB Cn1cnc(/C(O)=N/Cc2cccc(/C(O)=N/Cc3ccco3)c2)c1 330031521 ACBFLLQOPDRUDM-UHFFFAOYSA-N 338.367 3.023 30 40 EGEB CC[C@H](C)/C(O)=N/S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 48514158 KOXNXBJZNBJVES-QMMMGPOBSA-N 334.319 3.268 30 40 EGEB CC(C)(C)n1cc(C#N)cc1NC(=O)Nc1cnn(CC(F)F)c1 75140322 STNJHLWTLYOBRI-UHFFFAOYSA-N 336.346 3.220 30 40 EGEB N/C(=N\OC(=O)c1ccnc(Cl)c1)c1cccc(C(F)(F)F)c1 4280897 TXBMYCYNVQWTJR-UHFFFAOYSA-N 343.692 3.231 30 40 EGEB CCOC(=O)c1ccc(C(=O)C(F)(F)C(F)(F)C(F)(F)F)o1 575361766 GBIPAYRZWXGFBW-UHFFFAOYSA-N 336.159 3.472 30 40 EGEB O=[N+]([O-])c1ccc(/C=N\n2c(S)nnc2-c2ccccc2)cc1 4679474 TTZIAKNUUKCNGO-YBEGLDIGSA-N 325.353 3.024 30 40 EGEB C[C@H](CC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)C1CC1 71828333 PRZHVOZBIMSVER-MRXNPFEDSA-N 325.456 3.029 30 40 EGEB CCCc1nc(C#N)c(N2CCN(c3cccc(Cl)c3)CC2)o1 26779499 FWPJRKJSTHGHKM-UHFFFAOYSA-N 330.819 3.479 30 40 EGEB C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C 118923744 AIPVEEYYOOGTAW-FISAUJLYSA-N 332.484 3.486 30 40 EGEB N#Cc1cccc(Oc2ccc(NC(=O)NC[C@H]3CCCO3)cn2)c1 58210516 SWXBUCJCMNTUMM-MRXNPFEDSA-N 338.367 3.046 30 40 EGEB O=C1/C(=C\c2csnn2)[C@H](C2CC2)CC/C1=C\c1csnn1 71916328 PTILNFQVPMWNJJ-CDQMQRNMSA-N 330.438 3.246 30 40 EGEB Cc1ccc(S(=O)(=O)/N=C(\O)c2c(C)noc2C(C)C)cc1C 48473796 QNDSMZHBNTVQQT-UHFFFAOYSA-N 336.413 3.417 30 40 EGEB CCOc1ccc(/C=N/Nc2ncccc2[N+](=O)[O-])cc1OCC 409103422 GWINFGKAGLSAJJ-WOJGMQOQSA-N 330.344 3.233 30 40 EGEB Cc1cccc(CO/N=C(\N)c2ccc(-n3nc(C)cc3C)nc2)c1 63864072 VHMNVGNFNZADBX-UHFFFAOYSA-N 335.411 3.030 30 40 EGEB CC(C)N1/C(=C/c2ccccc2)C(=O)c2ccccc2S1(=O)=O 5274932 ADCRLKRQMNZQIP-FOWTUZBSSA-N 327.405 3.323 30 40 EGEB Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nncs2)c1 7194414 BQKXEUUGTNOQEE-UHFFFAOYSA-N 332.454 3.194 30 40 EGEB Cc1occc1-c1nnc(SCC(=O)O)n1/N=C/C1CCCCC1 8050106 MPFCHPBJBWDAFM-RQZCQDPDSA-N 348.428 3.437 30 40 EGEB O=C(NCC#Cc1ccccc1)N1CC[C@](F)(c2ccccc2F)C1 554938684 UWKGEZIQRKMPRA-HXUWFJFHSA-N 340.373 3.458 30 40 EGEB C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1C(=O)NCC[C@@H]1C 194161137 ICKJWWZIEWEVCK-XJKSGUPXSA-N 329.444 3.185 30 40 EGEB CCN(CC)C(=O)C[N@@+](C)(Cc1ccccc1)c1cc(C)nc(C)n1 247663513 UWHJRCBIBKHUSD-XMMPIXPASA-N 341.479 3.099 30 40 EGEB COc1c(Br)cc(B2OC(C)(C)C(C)(C)O2)c(F)c1F 687770846 VUDSCGKRXXFHIO-UHFFFAOYSA-N 348.980 3.035 30 40 EGEB O=[N+]([O-])c1cc(/C=N/c2ccc(O)cc2)ccc1Sc1ncn[nH]1 5996709 XELMFQUHCKTUMX-LZYBPNLTSA-N 341.352 3.320 30 40 EGEB COc1ccc(CN2C(=O)[C@H](C)S/C2=N/N=C/c2ccco2)cc1 4955821 PIDCDZDAANTFJH-WCWRRMQUSA-N 343.408 3.142 30 40 EGEB COC(=O)NC(Nc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F 3103338 IUYWXDWUZWSPSX-UHFFFAOYSA-N 334.191 3.415 30 40 EGEB N#CC1(NC(=O)CN2CC=C(c3c[nH]c4ccccc34)CC2)CCCC1 12552090 CASGSXIIFFGMFA-UHFFFAOYSA-N 348.450 3.210 30 40 EGEB N#C[C@H](c1nc2ccccc2nc1Cl)S(=O)(=O)c1ccccc1 1633728 XDUDZMHWULSAEP-CQSZACIVSA-N 343.795 3.322 30 40 EGEB N#Cc1c(NC(=O)CN2CCCc3ccccc32)sc2c1CCC2 3345367 ZVRQMVMDEVFRKQ-UHFFFAOYSA-N 337.448 3.500 30 40 EGEB COc1cc(C#N)ccc1OCC(=O)Nc1ccc(C#N)c(Cl)c1 3374613 HOZMTHUXJHBMCJ-UHFFFAOYSA-N 341.754 3.109 30 40 EGEB N#C[C@H](c1ccccc1)N1CCN(C(=O)/C=C/c2ccsc2)CC1 12819252 XPHGFRQWEIHJJI-IPLHWJFFSA-N 337.448 3.170 30 40 EGEB O=C(/C=C/c1ccco1)/N=C1\SCCN1C(=O)/C=C/c1ccco1 13946351 YSNCRVHUMVISIH-DHQATEGRSA-N 342.376 3.057 30 40 EGEB Cc1c(C(=O)OCC(=O)Nc2sccc2C#N)oc2ccccc12 7779001 MAECFMXTFHJAOU-UHFFFAOYSA-N 340.360 3.470 30 40 EGEB COc1cccc(/C=C/c2nc(C#N)c(NCCCn3ccnc3)o2)c1 8494523 SGRFAPKWFZGURD-VOTSOKGWSA-N 349.394 3.424 30 40 EGEB N#C[C@@H](C(=O)CNC(=O)CC1CCCCC1)c1nc2ccccc2o1 69697777 KEXLKZJBHFOPHJ-AWEZNQCLSA-N 339.395 3.091 30 40 EGEB Cc1ccc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)o1 409278327 CYQZMYRQNCNWGZ-UHFFFAOYSA-N 346.184 3.251 30 40 EGEB C=CCc1cc(C(=O)Nc2ccc(C(=O)OC)cc2)ccc1OC 408702880 JKHKZOMFWKNEFF-UHFFFAOYSA-N 325.364 3.463 30 40 EGEB CC(C)(C)OC(=O)N1CCc2ncc(N[C@@H]3CC[C@@H](C#N)C3)cc2C1 1615585256 QNVSDGDSICISJS-UKRRQHHQSA-N 342.443 3.479 30 40 EGEB CC(C)(C)OC(=O)N1CCc2ncc(N[C@H]3CC[C@@H](C#N)C3)cc2C1 1615585255 QNVSDGDSICISJS-HIFRSBDPSA-N 342.443 3.479 30 40 EGEB CC(C)(C)OC(=O)N1CCC[C@H]1COc1ccc(C=O)cc1C#N 575423706 QTPUDFWHAHQSGH-HNNXBMFYSA-N 330.384 3.149 30 40 EGEB C=C(C)[C@H]1CC=C(C)/C(=N\NC2=NS(=O)(=O)c3ccccc32)C1 103095419 HQDHMEQEEOGDMS-VLFBTDHHSA-N 329.425 3.014 30 40 EGEB C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2C1=O 5573295 NZVUSSYRXUEMGI-UHFFFAOYSA-N 340.766 3.374 30 40 EGEB N#Cc1ccccc1NC(=O)c1cccn(Cc2ccccc2F)c1=O 5270375 UJQMLFOXALRLHV-UHFFFAOYSA-N 347.349 3.160 30 40 EGEB COC(=O)c1sccc1NC(=C\C(=O)C(F)(F)F)/C=C/N(C)C 52525198 MGUCOTQPEHECQT-UFEJRDAESA-N 348.346 3.037 30 40 EGEB C/C(=N\NS(=O)(=O)c1ccc(Cl)cc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 100682447 GBFCWQABIOVAIP-YHWAXJLUSA-N 326.849 3.430 30 40 EGEB Cc1c(Cl)cccc1/N=N/c1c(C)c(C#N)c(=O)n(CCO)c1O 101144902 BQCUHACWRRKGKG-FMQUCBEESA-N 346.774 3.104 30 40 EGEB COc1ccc2c(c1)CCN2C(=O)c1c(C)oc(-n2cccc2)c1C#N 58716504 YTNBNCXCRUMEJM-UHFFFAOYSA-N 347.374 3.462 30 40 EGEB C#CCN(Cc1ccco1)C(=O)Nc1ccc(C(=O)OC)cc1C 63391474 RRCRERYVRBNEMJ-UHFFFAOYSA-N 326.352 3.042 30 40 EGEB C[C@@H]1C[C@H]2[C@@H]3CC[C@@](C)(O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12 118925713 LZRQDFQQYIQZLG-GAUQLWQGSA-N 332.484 3.486 30 40 EGEB CC(C)c1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1 69626843 MEIIHFAYLYRCFF-UHFFFAOYSA-N 339.370 3.076 30 40 EGEB O=[N+]([O-])c1ccc(N/N=C\c2cc(Br)cs2)nc1 408912808 SBKWBFUEDHLTNH-ACAGNQJTSA-N 327.163 3.260 30 40 EGEB C=CCOc1ccc(CN[C@H]2CCN(C(C)=O)C[C@H]2C)cc1Cl 89937464 CFTRNCPSBWIOAV-DYVFJYSZSA-N 336.863 3.251 30 40 EGEB C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225003362 OPYQFVXWNVZIRH-UHFFFAOYSA-N 336.344 3.115 30 40 EGEB CC(C)Cn1cnc(S(=O)(=O)/N=C(\O)C2CCC(F)(F)CC2)c1 96501366 MEDYFMXOTAWQTP-UHFFFAOYSA-N 349.403 3.010 30 40 EGEB C#CCOc1ccc2ccccc2c1/C=C1/NC(=O)N(CCC)C1=O 96850973 BKCLOFBKGUFHAM-GHRIWEEISA-N 334.375 3.155 30 40 EGEB C[C@@H]1CN(Cc2ccc(CNCc3cccc(C#N)c3)cc2)C[C@@H](C)O1 47609586 RKQJVHURAMXVPA-QZTJIDSGSA-N 349.478 3.457 30 40 EGEB COC(=O)c1cccc(NC(=S)N/N=C/c2ccc(C)cc2)c1 136306 FYGCISXKJXTEEE-WOJGMQOQSA-N 327.409 3.102 30 40 EGEB C=C(C)CSc1nnc2c(=O)n(-c3ccc(C)cc3C)ccn12 2298099134 RQTCTEMKUKOJAZ-UHFFFAOYSA-N 326.425 3.165 30 40 EGEB C#CCN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 32753364 ZJPQFPMCXYPCIU-UHFFFAOYSA-N 326.390 3.305 30 40 EGEB O=C1N/C(=N/c2ccccc2)S/C1=C\c1ccccc1[N+](=O)[O-] 2756875 KEJUXEVYTWYCHK-UVTDQMKNSA-N 325.349 3.486 30 40 EGEB C=CCOc1ccc([C@@H]2S[C@H](C)C(=O)Nc3[nH]nc(C)c32)cc1 6678667 PVXIVXAAEVZHPR-ABAIWWIYSA-N 329.425 3.446 30 40 EGEB CC(C)N(C(=O)CON=C1CCC2(CC1)OCCO2)c1ccccc1 47538921 JTSDPAAVPPFJQN-UHFFFAOYSA-N 346.427 3.118 30 40 EGEB Cc1sc(NC(=S)NC(=O)/C=C/c2ccco2)c(C#N)c1C 9140948 SGANLNCLQDKFLG-AATRIKPKSA-N 331.422 3.356 30 40 EGEB C=CCSCC(=O)Nc1ccc(C(=O)NCCC)c(Cl)c1 56151653 YCTFBCJBDXUBIU-UHFFFAOYSA-N 326.849 3.338 30 40 EGEB N#CC1(NC(=O)CNC(c2ccccc2)c2ccccc2)CCCC1 57873169 ZEFVUMXOESYUNI-UHFFFAOYSA-N 333.435 3.318 30 40 EGEB Oc1cc(N2CCCC2)ccc1/C=N\NC(=S)Nc1ccccc1 36046862 NSBLODSSWZWYCK-UYRXBGFRSA-N 340.452 3.313 30 40 EGEB CSc1nc2n(n1)[C@H](c1cccc(F)c1)C1=C(C[C@@H](C)CC1=O)N2 22608402 VRQFHMCAQHQYJX-RFAUZJTJSA-N 344.415 3.407 30 40 EGEB C[C@]12CC=C3[C@@H](CC[C@@]45CC6(CC[C@@]34O5)OCCO6)[C@@H]1CCC2=O 4091817 BAMMJXIMVWLRCU-YAUBAPCASA-N 330.424 3.147 30 40 EGEB in-vitro C=CCN1C(=O)N(c2ccccc2)C(=O)[C@@H]1CC(=O)Nc1ccccc1 5274799 OVXWKQDUUUVPRB-KRWDZBQOSA-N 349.390 3.039 30 40 EGEB C[C@H](Sc1nc2ccccc2n1C)C(=O)NC1(C#N)CCCCC1 9115014 LYNDRVUTTCJVTB-ZDUSSCGKSA-N 342.468 3.397 30 40 EGEB COc1cccc(/C=N/O[C@@H](C)C(=O)N(C(C)C)C(C)C)c1OC 15392743 OSKZEDCEBHEKQI-YRIIZNAFSA-N 336.432 3.088 30 40 EGEB C/C(=N\Nc1ccc(C(=O)O)cc1)c1ccc(N2CCOCC2)cc1 7890717 GXWGVHAXDAVINT-XSFVSMFZSA-N 339.395 3.058 30 40 EGEB C=CCn1c(S[C@@H](C)c2nnc(CC)o2)nc2ccccc2c1=O 71893894 SVMLQVWTNVRDOP-NSHDSACASA-N 342.424 3.381 30 40 EGEB C[C@H]1CN(C(=O)CCCCOc2cccc(C#N)c2)CC(C)(C)O1 71896092 LXRQWIQHMKFEDJ-HNNXBMFYSA-N 330.428 3.133 30 40 EGEB COc1ccc(/N=C/c2ccccc2I)cn1 97831978 HYMVNUJAKJBQHV-OVCLIPMQSA-N 338.148 3.445 30 40 EGEB C=CCCO[C@@H](C)C(=O)O[C@H](CSc1ncn[nH]1)c1ccccc1 89914142 BGUSDHHVSIFMGK-DZGCQCFKSA-N 347.440 3.163 30 40 EGEB CCCCCCCCNC(=O)C(=O)Nc1cc(OC)ccc1OC 408708067 GNYXYCIKUUTOBB-UHFFFAOYSA-N 336.432 3.119 30 40 EGEB CC(C)(Oc1cccc(Cl)c1)/C(O)=N/c1nc2ncccn2n1 79032244 KZMOYTWEZKJVIM-UHFFFAOYSA-N 331.763 3.223 30 40 EGEB C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCCC[C@@H]1OC 80485499 AQDIVDZXLJVOIV-MSOLQXFVSA-N 327.428 3.213 30 40 EGEB COc1cc(N[C@@H]2CCCN(c3ccc(C#N)nc3)C2)cc(OC)c1 97227897 BCJFBFXNUODKKN-OAHLLOKOSA-N 338.411 3.051 30 40 EGEB COC(=O)c1ccc(/C=C/C(=O)c2c(Cl)nc3sccn23)o1 78876765 RJTSVWJVEKRQRI-DUXPYHPUSA-N 336.756 3.325 30 40 EGEB C#CCN1C(=O)S/C(=C\c2cccn2-c2ccc(OC)cc2)C1=O 15012795 IKIWBLIFAIYNID-VBKFSLOCSA-N 338.388 3.155 30 40 EGEB COc1ccc(/N=C2\NC(=O)/C(=C/c3ccccc3O)S2)cc1 5529751 OEVYWWNSVBNLJA-GDNBJRDFSA-N 326.377 3.292 30 40 EGEB Cc1ccc(OCc2nc(C#N)c(N3C[C@H](C)O[C@H](C)C3)o2)cc1 18066328 STCVSAJKSOLTLV-OKILXGFUSA-N 327.384 3.047 30 40 EGEB C=CCn1c(SCc2ncon2)nnc1-c1ccc(Cl)cc1 14123856 ATTQWUOHYJTREX-UHFFFAOYSA-N 333.804 3.460 30 40 EGEB C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)c2C#N)C1 5919980 HPOIRISOGRLPBD-RTXFEEFZSA-N 344.436 3.350 30 40 EGEB Cc1nc(C)c(C#N)c(S[C@@H]2CCN(c3ccccc3F)C2=O)n1 78995270 NESALHUEVALKLW-OAHLLOKOSA-N 342.399 3.002 30 40 EGEB Cc1ccc(NC(=O)NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)c(C)c1 12819166 NKNREVUNTABJKR-CQSZACIVSA-N 337.379 3.291 30 40 EGEB COc1ccc(OCCCC(=O)OCc2ccc(C#N)cc2)cc1 4243535 PHXZJUDLMOMFQP-UHFFFAOYSA-N 325.364 3.469 30 40 EGEB CCOc1ccccc1NC(=O)[C@H](C#N)Cc1ccc(O)c(OC)c1 57523404 CLHRAWKSLAOOTM-AWEZNQCLSA-N 340.379 3.120 30 40 EGEB C=CCN(CC(F)(F)F)C(=O)/C=C/c1cccc(OC)c1OC 58290572 APVIITKIMXHTNU-CMDGGOBGSA-N 329.318 3.294 30 40 EGEB C=CCn1c(SCCOCC)nc2sc3c(c2c1=O)CCC3 2254526 GHHSVPRMXLYTSM-UHFFFAOYSA-N 336.482 3.261 30 40 EGEB COc1ccc(OCCC(=O)OCc2ccc(C#N)cc2F)cc1 11235682 RMYMJEKPWRRFAX-UHFFFAOYSA-N 329.327 3.218 30 40 EGEB N#Cc1ccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1 18115030 VYRJEQGCHUNBQX-UHFFFAOYSA-N 339.420 3.111 30 40 EGEB O=c1c2[nH]c3ccccc3c2nc(O)n1/N=C/c1ccc(Cl)cc1 8766572 VJUQSCXLPWAKCD-DJKKODMXSA-N 338.754 3.119 30 40 EGEB COc1cccc(/C=N/Nc2nnnn2-c2cccc3ccccc23)c1 4380224 GENCRTWJPDKVGV-DEDYPNTBSA-N 344.378 3.270 30 40 EGEB N#Cc1cccc(S(=O)(=O)Nc2ccnn2C2CCCCC2)c1 66241896 UKOVNTWWZLMITG-UHFFFAOYSA-N 330.413 3.061 30 40 EGEB CC(C)c1nnc(SCC(=O)Nc2cc(Cl)ccc2C#N)o1 20034541 IRJLFSVEOWNRRD-UHFFFAOYSA-N 336.804 3.449 30 40 EGEB N#Cc1ccc(-c2nc([C@@H]3CC(=O)N(c4ccccc4)C3)no2)cc1 44213925 HFGLLJRWJOOFSU-OAHLLOKOSA-N 330.347 3.129 30 40 EGEB Cc1sc(NC(=O)CN(C(C)C)C2CCOCC2)c(C#N)c1C 96455912 RKJHVFCAGPDJTL-UHFFFAOYSA-N 335.473 3.065 30 40 EGEB Cc1ccnc(SCC(=O)c2cc3ccccc3oc2=O)c1C#N 5337934 SAFAAINPSMMPLA-UHFFFAOYSA-N 336.372 3.343 30 40 EGEB Cc1cc(C)nc(-n2nc(C)c(C#N)c2NC(=O)Nc2ccccc2)n1 14608422 NRJAVZYBMTZIPH-UHFFFAOYSA-N 347.382 3.103 30 40 EGEB Cc1cccc(NC(=O)N2CCC[C@@H](Oc3cc(C#N)ccn3)C2)c1 575614077 WGKOXLYJSZWDSV-QGZVFWFLSA-N 336.395 3.337 30 40 EGEB COc1ccc([C@H]2Sc3nncn3N2Cc2ccc(C#N)cc2)cc1 215963 FTDGQBYBKVZDRF-QGZVFWFLSA-N 349.419 3.101 30 40 EGEB CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N(C)Cc1c(F)cccc1Cl 32832198 PJWOTETWCKWPFW-SJKOYZFVSA-N 339.842 3.354 30 40 EGEB COc1ccccc1-c1nc(Cn2ccc(C)c(C#N)c2=O)cs1 97141169 XVNSILXQQNBITP-UHFFFAOYSA-N 337.404 3.209 30 40 EGEB Oc1ccc(/C=N\n2c(S)nnc2-c2ccc(Cl)cc2)c(O)c1 51380417 PKIQGRJZAFBQMT-IUXPMGMMSA-N 346.799 3.181 30 40 EGEB CCN1C[C@H](CN(C)Cc2ccc(C#N)cc2F)Oc2ccccc21 57744260 FJQMUHVSACLOLR-KRWDZBQOSA-N 339.414 3.417 30 40 EGEB COc1cc(CCC(=O)Oc2cccc(C#N)c2)cc(OC)c1OC 3337168 UCGLWHUWFXIXBA-UHFFFAOYSA-N 341.363 3.122 30 40 EGEB Cc1cc(CN(C)CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)no1 29726586 PIFWKEBTCFRQBM-YBFXNURJSA-N 339.439 3.295 30 40 EGEB Cc1cc(=O)[nH]c(N/N=C(\N=N\c2ccc(O)cc2)c2ccccc2)n1 13548326 TXPAHBROTXAZDN-HXNIXJDOSA-N 348.366 3.342 30 40 EGEB C=CCn1c(N)nnc1SCc1nc(-c2ccsc2)oc1C 69600552 LZDPJLLDRNHUFE-UHFFFAOYSA-N 333.442 3.364 30 40 EGEB N#CCCCOc1cccnc1NC(=O)Cc1ccc2c(c1)CCC2 69873733 OCWWSVKBMNTQRO-UHFFFAOYSA-N 335.407 3.434 30 40 EGEB CCc1nn(-c2cc(Oc3cc(C)ccc3C)ncn2)c(N)c1C#N 8715047 IQKSGLSREHMIPX-UHFFFAOYSA-N 334.383 3.088 30 40 EGEB COc1ccc(/C=N\OCC(=O)Nc2ccc(C)cc2)cc1OC 34687440 VUOMKHBMRIXJDL-ODLFYWEKSA-N 328.368 3.001 30 40 EGEB C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1cc(C(C)(C)C)sc1C#N 91208756 LOTYZYZYANVTOS-NEPJUHHUSA-N 336.457 3.440 30 40 EGEB COc1ccc(/C=N/Nc2ncnc3c2cnn3-c2ccccc2)cc1 4610697 TVWXPKAUTRSYSU-SSDVNMTOSA-N 344.378 3.270 30 40 EGEB COc1ccccc1/C=C/C(=O)[C@H](C#N)C(=O)Nc1ccc(F)cc1 103501871 ZPSJTSBMRQCUBI-RFKZRZAASA-N 338.338 3.195 30 40 EGEB N#CCSCC(=O)NCc1ccc(-c2ccc3c(c2)CCO3)cc1 61335498 LXSNRQLEESQOEY-UHFFFAOYSA-N 338.432 3.161 30 40 EGEB CN([C@H]1CCCc2ccccc21)S(=O)(=O)c1ccccc1C#N 8167263 HGUTZUKLZUNOSL-KRWDZBQOSA-N 326.421 3.256 30 40 EGEB C=C(Cl)COC(=O)c1nn(-c2ccc(Cl)cc2)c(C)cc1=O 22988567 LBROQFZERNTCFR-UHFFFAOYSA-N 339.178 3.104 30 40 EGEB COc1ccc(C(=O)/C=C/Nc2ccccc2C(=O)O)cc1OC 9886332 JWIRSKTZUHIUTL-MDZDMXLPSA-N 327.336 3.211 30 40 EGEB Cc1ccc(C/C(O)=N/S(=O)(=O)c2cccc3ncccc23)s1 71803831 BZDCNBKAPZXUQI-UHFFFAOYSA-N 346.433 3.493 30 40 EGEB COC1=CC(=O)C2=C(C1=O)[C@@]1(C)CCC[C@@](C)(COC(C)=O)[C@H]1CC2 104080916 DZJPRQGFOUDQTE-UXPWSPDFSA-N 346.423 3.135 30 40 EGEB C=CCn1cc(C(=O)N2CCC[C@@H]2Cn2cccn2)c2ccccc21 71866662 IUAICHHWCUVMEV-MRXNPFEDSA-N 334.423 3.329 30 40 EGEB N#Cc1c(/N=C/c2ccc(O)cc2O)sc2c1C1CCN2CC1 100255468 YLHBYJQVLCSDKN-DJKKODMXSA-N 325.393 3.479 30 40 EGEB N#Cc1cccc(NC(=O)c2cc3c(=O)n4ccccc4nc3s2)c1 3253248 LMEXKDDVYMFDFT-UHFFFAOYSA-N 346.371 3.033 30 40 EGEB Cc1cc(OCC(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)no1 71889120 QSWYVZICAHBKMJ-NSHDSACASA-N 340.166 3.050 30 40 EGEB CC[C@H](C)n1c(SCC(=O)NCCC#N)nnc1-c1ccccc1 58209291 ZWBLDYMZAPBYRB-ZDUSSCGKSA-N 343.456 3.038 30 40 EGEB N#Cc1ccc(/C=C/C(=O)NCc2cccnc2N2CCCCC2)cc1 58282754 SAUJDTLUINYYOZ-ZHACJKMWSA-N 346.434 3.273 30 40 EGEB C#CCn1/c(=N/C(=O)c2ccc(OC)cc2)sc2cccc(C)c21 100909917 NNHACYCODNYQCL-VXPUYCOJSA-N 336.416 3.394 30 40 EGEB Cc1ccc(C(=O)C[C@]2(O)C(=O)N(CCCC#N)c3ccccc32)cc1 4166039 CCDRWGDFJKWCPL-OAQYLSRUSA-N 348.402 3.106 30 40 EGEB C[C@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2ccc(Cl)s2)C1=O 39570142 MDIOTYSOMRBLEA-MRXNPFEDSA-N 345.811 3.240 30 40 EGEB C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC/C2=C\CO 118924695 FIMYJWIQTVIDQB-FNFQBNTHSA-N 328.452 3.184 30 40 EGEB COc1cccc(Oc2ncccc2CNc2nccnc2C#N)c1 301345912 JQNFMAZXBLPOCP-UHFFFAOYSA-N 333.351 3.156 30 40 EGEB COc1ccc([C@@H](C)c2nc(-c3ccc(C#N)cn3)no2)cc1OC 90095179 MQYADHYMXWXFBA-LLVKDONJSA-N 336.351 3.172 30 40 EGEB C#Cc1cccc(N[C@@H](C(N)=O)c2ccc(Br)cc2)c1 69705007 IIDLSXNIUMWSGK-OAHLLOKOSA-N 329.197 3.069 30 40 EGEB CCN(Cc1ccc(C#N)cc1F)C(=O)COc1cccnc1Cl 95400118 SPHWAPXUBNSYSG-UHFFFAOYSA-N 347.777 3.173 30 40 EGEB CSC[C@@H](NS(=O)(=O)Cc1cccc(C#N)c1)c1ccccc1 76304088 VJHIZRAKWMRKAI-QGZVFWFLSA-N 346.477 3.082 30 40 EGEB CCCCCCCNC(=O)CCC(=O)NCCCOCCCC 98045166 KHBVRVCHIXQEOM-UHFFFAOYSA-N 328.497 3.176 30 40 EGEB CC[C@@H](C#N)Oc1cccc(CNC(=O)N2C[C@H]3CC=CC[C@H]3C2)c1 96440293 APVUDXQJCQCWAD-KSZLIROESA-N 339.439 3.475 30 40 EGEB N#Cc1cc(Br)ccc1N1CCC(n2cccn2)CC1 96501504 KTVDCHYCHFSDLT-UHFFFAOYSA-N 331.217 3.359 30 40 EGEB COc1cc(/C=N\n2c(-c3ccccc3)n[nH]c2=S)ccc1O 1239451 ULUUPBXLBTXAFU-YVLHZVERSA-N 326.381 3.204 30 40 EGEB O=C1CS/C(=N/c2ccn(Cc3ccc(Cl)cc3)n2)N1C1CC1 17072196 XWQCASPEQDOVIH-FBMGVBCBSA-N 346.843 3.310 30 40 EGEB Cc1cccn2c(=O)c(/C=N/O)c(SCc3ccccc3)nc12 2675017 FPFHPQPVTHRXMW-VCHYOVAHSA-N 325.393 3.103 30 40 EGEB Cc1nc(C)n(C[C@@H]2CCCCN2Cc2cn3ccccc3c2C#N)n1 69819560 MHHWOWHAAHLYJH-SFHVURJKSA-N 348.454 3.074 30 40 EGEB COCc1cc(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)no1 76065992 VMGXYKKSJSBBAZ-INIZCTEOSA-N 327.384 3.113 30 40 EGEB CSc1ccc([C@H]2[C@@H](C#N)C(=O)Nc3nc4ccccc4n32)cc1 9262170 YAYHGPBEUJIUAZ-CJNGLKHVSA-N 334.404 3.439 30 40 EGEB N#C[C@@H](NC(=O)Cc1ccccc1Br)c1ccsc1 71847777 FADQCBXMCQUUNR-CYBMUJFWSA-N 335.226 3.434 30 40 EGEB C[C@H](Sc1ccccc1Cl)C(=O)N[C@@]1(C#N)CCSC1 58393103 ADZOMCVGQZRATN-IINYFYTJSA-N 326.874 3.336 30 40 EGEB N#C[C@H]1C(=O)Nc2nc3ccccc3n2[C@@H]1c1c[nH]c2ccccc12 20638145 NTFJNFIFVFWGLA-PXAZEXFGSA-N 327.347 3.199 30 40 EGEB Cc1c(Br)c2ccccc2n1C/C(O)=N/c1ncn[nH]1 48356420 XMLYBMYMYCJROF-UHFFFAOYSA-N 334.177 3.119 30 40 EGEB Cc1nc(C(C)(C)c2ccccc2)sc1/C(O)=N/S(C)(=O)=O 93242177 KCEJTTNVOXZWRX-UHFFFAOYSA-N 338.454 3.042 30 40 EGEB C[C@H](c1ccccc1)N1C[C@H](C(=O)Nc2sccc2C#N)CC1=O 9253310 YUPWMKYHAQJOTQ-IUODEOHRSA-N 339.420 3.168 30 40 EGEB CSc1nc(O)c(C(=O)N(Cc2cccs2)C2CC2)cc1C#N 73917485 TUJSOWNSMXLPCE-UHFFFAOYSA-N 345.449 3.247 30 40 EGEB N#Cc1cc(F)ccc1NC[C@@H]1CC(=O)N(CCc2ccccc2)C1 89832341 MWYBFYTVQXUCDY-INIZCTEOSA-N 337.398 3.200 30 40 EGEB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/n2c(C)nnc2S)o1 408863210 LBLUQHDKKYXENM-LZYBPNLTSA-N 343.368 3.234 30 40 EGEB COc1cccc(C/C(O)=N/CC(C)(C)c2ccc3c(c2)OCO3)n1 330031977 GWADFRCWQSGGOE-UHFFFAOYSA-N 342.395 3.296 30 40 EGEB C=CC[C@@H](CC)NC(=O)Nc1ccc(NS(=O)(=O)CC)c(C)c1 281353569 LRARJFIYPLCPFC-CYBMUJFWSA-N 339.461 3.233 30 40 EGEB Cc1cc(SCc2c[n+]([O-])c(N)c(C#N)n2)c(Cl)cc1Cl 153037 QZAFMURDSJIDDY-UHFFFAOYSA-N 341.223 3.076 30 40 EGEB Cc1nn(C)c(C)c1-c1cc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)[nH]n1 79014816 XTHIIICSGWWZKZ-ZDUSSCGKSA-N 349.394 3.217 30 40 EGEB CC(C)Oc1ccccc1/C=N/NC(=S)NCc1ccccc1 6539009 DKAVIKBFZUHTNL-DEDYPNTBSA-N 327.453 3.472 30 40 EGEB CN1CCN(/N=C/C2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 36843683 VBWBYHVABUKMDP-GIJQJNRQSA-N 326.227 3.002 30 40 EGEB N#Cc1ccc(SCCC(=O)Nc2ccccc2-n2cncn2)cc1 69777579 WACVWJULOWRINH-UHFFFAOYSA-N 349.419 3.260 30 40 EGEB C=CCNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccco1)N2 5043599 OZNIKQGFKQLHMX-JOYOIKCWSA-N 340.305 3.052 30 40 EGEB O=C(NCC#Cc1ccccc1)c1ccn(-c2cccc(Cl)c2)n1 80089631 AWGBFWLVRHDHEB-UHFFFAOYSA-N 335.794 3.307 30 40 EGEB Cc1cccc2nc(COc3ccc(C#N)cc3Cl)cc(=O)n12 7855733 WKSDOUDFIKZAQU-UHFFFAOYSA-N 325.755 3.107 30 40 EGEB COc1ccc(/C(C)=N\Nc2nc(-c3ccccc3)cc(=O)[nH]2)cc1 17186139 VPCMZQHQQJKAHI-XKZIYDEJSA-N 334.379 3.282 30 40 EGEB N/C(=N\OC/C=C/c1ccccc1)c1ccc(N2CCCCC2)nc1 60100222 PRCKSBQUSPDDLS-JXMROGBWSA-N 336.439 3.422 30 40 EGEB C[C@@H](CCOc1ccc2ccc(=O)oc2c1)C1=CC(=O)C(C)(C)O1 5762812 GXTVQAPXQFZGLW-LBPRGKRZSA-N 328.364 3.460 30 40 EGEB biogenic C=C(C)Cn1nc(SC)n2c(=O)c3c4c(sc3nc12)CCCC4 40267695 AODORXWPSGIJSY-UHFFFAOYSA-N 346.481 3.283 30 40 EGEB COCc1csc(N=C(O)NC(C)(C)COCc2ccccc2)n1 330032635 QAULPKOWNWOOGY-UHFFFAOYSA-N 349.456 3.420 30 40 EGEB Cn1ccc(C(=O)Nc2ccc(C#N)cc2NC(=O)OC(C)(C)C)c1 585127603 FBTKIDJFLFJKDL-UHFFFAOYSA-N 340.383 3.496 30 40 EGEB C=CCc1cccc2cc(C(N)=O)c(=Nc3ccc([N+](=O)[O-])cc3)oc12 252445513 SCMAAKNTPAITSH-UHFFFAOYSA-N 349.346 3.401 30 40 EGEB CC/N=C(/NCCC(F)(F)F)NC[C@H]1CCO[C@@H]1c1ccccc1 85101873 GQHYFXJPLNYQFM-HUUCEWRRSA-N 343.393 3.272 30 40 EGEB C=CCn1cnc2c(sc3nc(Cc4ccccc4)nc(C)c32)c1=O 12389102 NWGUCKMIAWTPBF-UHFFFAOYSA-N 348.431 3.486 30 40 EGEB Cc1ccc(-c2c[n+](CC(=O)NCc3ccccc3)c3n2CCC3)cc1 13769316 CGSAKQVQJCMYHD-UHFFFAOYSA-O 346.454 3.014 30 40 EGEB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C\c1cccnc1 17024201 OIGIVUXSKVQKHB-HMAPJEAMSA-N 326.359 3.341 30 40 EGEB COc1ccccc1N1CCN([C@H]2CCC=CCC/C2=N\O)CC1 18193154 QBYOEGFVMIBQSJ-MTBSWDCCSA-N 329.444 3.146 30 40 EGEB CC(C)(C)C(=O)NC1CCN(c2nc3ccccc3cc2C#N)CC1 2087130524 HPGMXKCCXHYFDK-UHFFFAOYSA-N 336.439 3.238 30 40 EGEB Cc1cc(C(=O)[C@@H](C#N)C(=O)N2CCCC2)c(C)n1-c1ccccc1 103502701 QMPRJIVZGYQKHA-GOSISDBHSA-N 335.407 3.039 30 40 EGEB N#Cc1ccccc1OCC(=O)Nc1nc(-c2ccncc2)cs1 6832244 VLDHKDWEBUXAKE-UHFFFAOYSA-N 336.376 3.094 30 40 EGEB Cc1ccc(-c2n[nH]c(=S)n2/N=C\c2ccc(O)cc2O)cc1 54360513 LIQIPDSYXIFNGO-MFOYZWKCSA-N 326.381 3.210 30 40 EGEB C=CCO[C@@H]1[C@H]2CC[C@H]1N(C(=O)c1oc3ccccc3c1C)CCO2 106896573 LHRCDJWEVVJYEU-SUMDDJOVSA-N 341.407 3.316 30 40 EGEB C=CCSc1nnc(NC(=O)c2cn3ccc(C)cc3n2)s1 12547273 ZQUIHCZMIZSPCF-UHFFFAOYSA-N 331.426 3.025 30 40 EGEB N#Cc1cccc(CN(Cc2nnsc2Cl)C[C@@H]2CCCO2)c1 48331473 IPCWBRWHEXQMAF-AWEZNQCLSA-N 348.859 3.244 30 40 EGEB CCOC(=O)C/C(C)=N/Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 13476073 MANWMDXANOJKGN-CAOOACKPSA-N 333.266 3.355 30 40 EGEB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)c1C 5108748 LZCMMQIOBWGGAH-CYBMUJFWSA-N 340.379 3.330 30 40 EGEB Cc1cnn([C@H]2CCCN(C(=O)c3cc4ccccc4n3CC#N)C2)c1 71185424 NIKAFBXCOMUOKP-KRWDZBQOSA-N 347.422 3.147 30 40 EGEB C[C@@H]1CCC[C@@H](N2CNC(=Nc3nc4ccccc4o3)NC2)[C@@H]1C 9015938 LQXFYMSTKVYQHS-UMVBOHGHSA-N 327.432 3.050 30 40 EGEB C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)C2CC2)cc1 9897427 FEPWRLYAMJJUQU-ZDUSSCGKSA-N 349.390 3.313 30 40 EGEB Cc1ccc(N=C[C@H]2C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1C 408528751 BVPGYKWGBAPXFP-INIZCTEOSA-N 349.390 3.213 30 40 EGEB CC1=C(Br)CN(CCC(=O)Nc2ccccc2C#N)CC1 281170468 QGWHNMSHORTDOD-UHFFFAOYSA-N 348.244 3.261 30 40 EGEB C=C(C)[C@H]1OCCC[C@H]1C(=O)N(CC(F)(F)F)c1ccccn1 390835648 UADKSNZFUSZCJI-TZMCWYRMSA-N 328.334 3.348 30 40 EGEB COc1cc(OC)c(OC)cc1/C=C1\Cc2c(O)cccc2C1=O 11335973 OUORONGLYHOOEA-KPKJPENVSA-N 326.348 3.240 30 40 EGEB CCOc1ccc(/C=N\OCC(=O)Nc2ccc(C)cc2)cc1OC 35240141 PRZFJCGJPUQNIL-NDENLUEZSA-N 342.395 3.392 30 40 EGEB N#Cc1cccc(C(=O)NC[C@H](O)c2ccc(-c3ccco3)s2)c1 1775967755 BWQMDHKSODUMEB-AWEZNQCLSA-N 338.388 3.343 30 40 EGEB Cc1ccc(S(=O)(=O)NC2(C=O)CCC(C(C)(C)C)CC2)cc1 1613568 QHFDCNQEZKSQGC-UHFFFAOYSA-N 337.485 3.447 30 40 EGEB N#Cc1cc([N+](=O)[O-])ccc1NC[C@H](c1ccco1)N1CCCC1 23386315 NLQMHOSZPDJIHJ-MRXNPFEDSA-N 326.356 3.308 30 40 EGEB O/N=C1/[C@H]2CC[C@H](C2)[C@@H]1N1CCC(O)(c2ccc(Cl)cc2)CC1 100965311 JJFZNGPATRNWJU-SBHYWHNNSA-N 334.847 3.252 30 40 EGEB N#CCCN(Cc1ccco1)C(=O)CN1CCC[C@H]1c1cccs1 48287124 FBRRRNDJZBCQSQ-INIZCTEOSA-N 343.452 3.420 30 40 EGEB CCCCS(=O)(=O)/N=C(\O)CCC(=O)c1ccc(F)cc1F 48556304 CIDULENLUONQAH-UHFFFAOYSA-N 333.356 3.014 30 40 EGEB C=CCOc1ccc(NC(=O)C(=O)NC2CCC(CC)CC2)cc1 408709219 PYBZVMNJKHNVFI-UHFFFAOYSA-N 330.428 3.275 30 40 EGEB O=[N+]([O-])c1ccc(-c2nnc(/N=C(\O)CN3CCCCC3)s2)cc1 19818018 BBYDGROCUMXZEJ-UHFFFAOYSA-N 347.400 3.187 30 40 EGEB Sc1nc(-c2ccccc2)cn1/N=C/c1ccc2c(c1)OCCO2 7738243 AUPODIHTLXAKES-YBFXNURJSA-N 337.404 3.492 30 40 EGEB CC(C)(C)c1cc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c(C#N)s1 95440934 WPIOTNXRKUMGRW-UHFFFAOYSA-N 347.400 3.051 30 40 EGEB CN(c1ccccc1)C1CCN(C(=O)NCc2ccc(C#N)cc2)CC1 89365456 ILNOBBRGJZKJPW-UHFFFAOYSA-N 348.450 3.369 30 40 EGEB COc1ccc(CNc2cc(C#N)cc([N+](=O)[O-])c2C)cc1OC 42109471 DJBHVVJXUGTGFD-UHFFFAOYSA-N 327.340 3.404 30 40 EGEB CO[C@]1(C(=O)Nc2ccc(OC(C)=O)cc2C#N)CCC[C@H](C)C1 225809595 FDUVUFGXEGWXOB-KPZWWZAWSA-N 330.384 3.017 30 40 EGEB C=CCN1CCNC[C@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 257344956 ZZJCPTMTOZJMJF-SFHVURJKSA-N 338.426 3.269 30 40 EGEB C=CCn1c(S[C@@H](C)C(C)=O)nnc1-c1cccc([N+](=O)[O-])c1 10481303 GIRQCZUSFXKTHU-NSHDSACASA-N 332.385 3.109 30 40 EGEB O=C(O)/C=C/c1cccc(/N=C/c2ccc(N3CCOCC3)cc2)c1 58923 KATPUEKMFBKDIU-BUMRDOBSSA-N 336.391 3.372 30 40 EGEB C=CCN(C(=O)c1nn(CC)c(=O)c2ccccc12)c1ccccc1 32753895 ZIUNQKWUIYUVAZ-UHFFFAOYSA-N 333.391 3.249 30 40 EGEB C=CCn1c(C)cc(C(=O)COC(=O)c2cn[nH]c2C(C)C)c1C 32922107 UOBUNOLUOAITAK-UHFFFAOYSA-N 329.400 3.177 30 40 EGEB N#Cc1ccc(N2CCC(C(=O)N3CC[C@H]3c3ccccc3)CC2)nc1 53083593 DSENEEIOVGPKIV-IBGZPJMESA-N 346.434 3.143 30 40 EGEB C=CCOC(C(=O)OCCN(C)C)(c1ccccc1)c1ccccc1 1608971 ADPISLYRPJFQFP-UHFFFAOYSA-N 339.435 3.238 30 40 EGEB CCOc1ccc(CCN2C(=O)CS/C2=N\C2CC2)cc1OCC 2733835 SLOHSJKAJNPKOD-HNENSFHCSA-N 348.468 3.120 30 40 EGEB COC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2CCC#N 12396331 MJEYMKJBORAUMG-UHFFFAOYSA-N 326.381 3.169 30 40 EGEB CC[C@@H](NC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)c1cccs1 55966958 HKRZRWUSHGWWTB-OAHLLOKOSA-N 343.452 3.125 30 40 EGEB CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)c1cccc(C#N)c1 58290438 HDEBMOLTTUBLMF-INIZCTEOSA-N 343.427 3.078 30 40 EGEB CCc1ccccc1N1C[C@H](C(=O)OCc2ccc(C#N)cc2)CC1=O 5037574 NXKVMHWCQUOEMC-GOSISDBHSA-N 348.402 3.217 30 40 EGEB CC(C)c1c[nH]/c(=N\S(=O)(=O)c2ccc(C#N)cc2Cl)s1 96004206 JKKDUPUPKVGLFY-UHFFFAOYSA-N 341.845 3.014 30 40 EGEB Cc1ccc([C@@H](NCC(=O)NCC#N)c2ccc(F)cc2Cl)cc1 84148707 RWJYKASGGYLFGC-GOSISDBHSA-N 345.805 3.106 30 40 EGEB C#CCOC(=O)c1cc([N+](=O)[O-])cc2nc(-c3ccc(F)cc3)oc12 73641901 YPYOJKRKYGMHHJ-UHFFFAOYSA-N 340.266 3.332 30 40 EGEB N#Cc1cccc(OCc2cccc(C(=O)NCc3ccncc3)c2)c1 79355856 CNBNBQMRIDHYIF-UHFFFAOYSA-N 343.386 3.462 30 40 EGEB Cc1ccc(OCCN2C(=O)/C(=N\O)c3ccc(Cl)cc32)cc1 46084654 RONKYGKMJWNYGE-MNDPQUGUSA-N 330.771 3.252 30 40 EGEB N#CCCN(CCC#N)C(=O)c1cc(-c2cccc(Cl)c2)no1 65594070 RTBVHQBHFNRJMN-UHFFFAOYSA-N 328.759 3.265 30 40 EGEB N#CCSCC(=O)[C@H](C#N)c1ncc(C(F)(F)F)cc1Cl 49396687 HGJCWKSRDTVZKC-QMMMGPOBSA-N 333.722 3.187 30 40 EGEB N#CCC(=O)c1ccc(C(F)(F)F)c(I)c1 169801632 NIJSQXAHJWBEOK-UHFFFAOYSA-N 339.054 3.406 30 40 EGEB Cc1cc(N/N=C/c2ccc(O)cc2O)nc(-c2ccccc2O)n1 5002984 FFAHRKFGUPZZHC-VXLYETTFSA-N 336.351 3.015 30 40 EGEB CC/N=C1\S/C(=C\c2ccc(OC)c(OCC)c2)C(=O)N1CC 13124023 MLRIJTQFILPPFW-NPAMKKHASA-N 334.441 3.406 30 40 EGEB C=CCn1c(-c2ccccc2)nn(CN2C[C@H](C)O[C@H](C)C2)c1=S 16075623 RNINXWNMVHEVQJ-GASCZTMLSA-N 344.484 3.334 30 40 EGEB N#CCOc1ccc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1 18828890 PTNBKTBWAZEVFI-UHFFFAOYSA-N 335.363 3.190 30 40 EGEB C=C(C)CN(CC)C(=O)C(=O)Nc1ccc(-c2csc(C)n2)cc1 154705282 MXTNVPBLFHODKV-UHFFFAOYSA-N 343.452 3.482 30 40 EGEB Cc1ccc(-n2cnnc2SCCn2cc(C#N)cn2)cc1Cl 78940029 QJYZIDIDFIQNHF-UHFFFAOYSA-N 344.831 3.090 30 40 EGEB C#CCn1/c(=N/C(=O)c2ccc(F)cc2)sc2cccc(OC)c21 100909881 QOOYBPUOKNXVKS-ZZEZOPTASA-N 340.379 3.225 30 40 EGEB CCC(=O)Nc1ccc(C(=O)COc2ccc(C#N)cc2OC)cc1 9437912 ZZMYSJRTFHNFBL-UHFFFAOYSA-N 338.363 3.177 30 40 EGEB CC(C)N1/C(=C\c2ccccc2O)C(=O)c2ccccc2S1(=O)=O 8991264 XGMXMMJFUWKJCB-PTNGSMBKSA-N 343.404 3.029 30 40 EGEB COc1ccc(-c2cc(C(F)(F)F)n3ncc(C#N)c3n2)cc1OC 13624926 UWGZMUGFUYAMEK-UHFFFAOYSA-N 348.284 3.304 30 40 EGEB N#Cc1cn(CC(=O)c2c[nH]c3ccccc23)c2ccccc2c1=O 70040220 HAAHPHFIBORNST-UHFFFAOYSA-N 327.343 3.237 30 40 EGEB C#CCOc1ccc(/C=C2/SC(=S)N(CC=C)C2=O)cc1OC 409347545 QFBUETQCSCGHED-RVDMUPIBSA-N 345.445 3.094 30 40 EGEB C=CCN(C(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)c1ccccc1 22993972 MDMIZZJSLJAZTE-HNNXBMFYSA-N 338.382 3.398 30 40 EGEB C#CCOc1c(Br)cc(/C=N/O)cc1Br 409050735 ZCSRVQSDTLKQAX-AWNIVKPZSA-N 332.979 3.032 30 40 EGEB C[C@]12C[C@@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(C)O 37263690 YLRFCQOZQXIBAB-ZPNXQJJCSA-N 336.447 3.332 30 40 EGEB CC(C)(O)CN(Cc1ccccc1)C(=O)NCc1cccc(C#N)c1 95463387 PGRRSKJWNWTSCQ-UHFFFAOYSA-N 337.423 3.041 30 40 EGEB CN1/C(=C\C(=O)CSc2nnc(N)s2)C(C)(C)c2ccccc21 12510581 DFYKWBRTEBINMQ-JYRVWZFOSA-N 346.481 3.093 30 40 EGEB aggregator C[C@@H]1CC(=O)c2c(OCC(=O)NC3(C#N)CCCCC3)ccc(F)c21 48236741 ACCQDNRTERJJAY-GFCCVEGCSA-N 344.386 3.237 30 40 EGEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@@H](C(F)(F)F)C1 18233218 AHTOAIRIWYTYDI-WCQYABFASA-N 326.318 3.126 30 40 EGEB CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@H]1c1ccncc1 4126673 FHRKLHIAJBAWIM-MRXNPFEDSA-N 326.396 3.003 30 40 EGEB N#Cc1cccnc1NC[C@@H]1CCN(Cc2nc3ccccc3s2)C1 65478021 BIXYXAPDINHAEW-AWEZNQCLSA-N 349.463 3.497 30 40 EGEB C/C(=N\N=c1/[nH]n2cnnc2c2ccccc12)c1ccc(Cl)s1 6780405 JKHDYCMKWSVWPH-GIJQJNRQSA-N 342.815 3.250 30 40 EGEB COc1ccc2[nH]c3c(=O)n(/N=C/c4ccc(C)cc4)c(C)nc3c2c1 4828224 GHWONJSDYJWPOJ-SRZZPIQSSA-N 346.390 3.385 30 40 EGEB N#Cc1cccc(COC(=O)c2ncccc2OCC(F)(F)F)c1 83941378 GVGRSRNYALTPGV-UHFFFAOYSA-N 336.269 3.251 30 40 EGEB Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3C#N)CC2=O)cc1C 8265528 VZBBFTNRCKFZOL-MRXNPFEDSA-N 333.391 3.167 30 40 EGEB C=C(C)COc1nc(N2CCCC2)c2c(c1C#N)CC(C)(C)OC2 70666166 XYOALYSCSYXAMI-UHFFFAOYSA-N 327.428 3.360 30 40 EGEB biogenic CC(C)(C)OC(=O)NC1(c2noc(-c3cc(C#N)c[nH]3)n2)CCCC1 84200542 HZEKUBLWNGJTPS-UHFFFAOYSA-N 343.387 3.230 30 40 EGEB COc1ccccc1[C@H](C#N)NC(=O)c1cnn(C)c1-c1ccccc1 95985583 BRGJNKXQLIZNSH-KRWDZBQOSA-N 346.390 3.090 30 40 EGEB N#Cc1cc([N+](=O)[O-])ccc1Nc1cccc(N2CCCNC2=O)c1 78508938 PNCRMNMXWDNSME-UHFFFAOYSA-N 337.339 3.130 30 40 EGEB CO[C@@]1(C(=O)Nc2ccc(OC(C)=O)c(C#N)c2)CCC[C@H](C)C1 225809669 REFJEMPXBZPSRE-SGTLLEGYSA-N 330.384 3.017 30 40 EGEB N#CC1(C(=O)N2CCC(n3ccc(C(F)(F)F)n3)CC2)CCCC1 97233667 DEPOGAPOMURFMD-UHFFFAOYSA-N 340.349 3.149 30 40 EGEB C[C@@H](NCc1cc(C#N)cnc1Cl)[C@@H](c1ccccc1)N(C)C 585116729 GYTJMWWGKVOSSH-DYVFJYSZSA-N 328.847 3.388 30 40 EGEB CSc1c2c(oc(=O)c1C#N)-c1cn(-c3ccccc3)nc1CC2 585145608 CBTJCYRGMYNXKS-UHFFFAOYSA-N 335.388 3.185 30 40 EGEB CSc1ccc([C@H]2C3=C(C[C@@H](C)CC3=O)Nc3ncnn32)cc1 14607476 IBIXZFKSCIDTFR-HWPZZCPQSA-N 326.425 3.268 30 40 EGEB CCOc1ccccc1[C@@H]1C2=C(C[C@H](C)CC2=O)Nc2nc(C)nn21 14608151 BWNFTXAUAASZKS-BBATYDOGSA-N 338.411 3.253 30 40 EGEB C=CCNC(=O)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1 76016730 VJTYFJRZOHHFKH-UHFFFAOYSA-N 344.436 3.109 30 40 EGEB COC(=O)[C@@H]1CCCCCC[C@H]1NC(=O)Nc1ccc(C#N)cc1 79097558 VJZPDTUNRJRLJW-HZPDHXFCSA-N 329.400 3.192 30 40 EGEB C=CCn1c(COc2cccc3cccnc23)nnc1SCC#N 2709032 YXNKDKRANKTIRF-UHFFFAOYSA-N 337.408 3.207 30 40 EGEB N#CC1CCN(C(=O)NCCOc2cccc(Cl)c2Cl)CC1 60991341 LUBIZVIIXIONNF-UHFFFAOYSA-N 342.226 3.317 30 40 EGEB CCNC(=O)O/N=C(\C)c1ncc(C(F)(F)F)cc1N1CCCC1 12338538 NBVMPALYSXUHDW-UFFVCSGVSA-N 344.337 3.171 30 40 EGEB CN(CC(=O)N[C@@](C)(C#N)C1CC1)C1CCC(c2ccccc2)CC1 58248986 IDGGTOKOLFCULZ-XTXLOEGASA-N 339.483 3.453 30 40 EGEB C/N=C1\S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1C 59639503 TXWVRKAVPQXVMU-PFHWNKLJSA-N 343.364 3.387 30 40 EGEB COC(=O)c1cccc(/N=C\c2cc3c(cc2OC)OCO3)c1C 409098261 KVFAVQZEQBVASB-OCKHKDLRSA-N 327.336 3.270 30 40 EGEB Cn1cc(CCC(=O)OCC#Cc2ccc(Cl)cc2Cl)cn1 96013337 QGDYJSPTFYZBFK-UHFFFAOYSA-N 337.206 3.254 30 40 EGEB Cc1noc2nc(-c3ccco3)cc(C(=O)N(C)C3(C#N)CCC3)c12 66322568 YTUHHMOUCJKNAT-UHFFFAOYSA-N 336.351 3.310 30 40 EGEB CCc1nn(C[C@@H](O)c2ccc(C(C)C)cc2)c(=O)c(C#N)c1CC 69920681 ZCXKZOLZJOJSEP-LJQANCHMSA-N 339.439 3.097 30 40 EGEB N#Cc1ccc(N[C@@H](CCO)C2CCOCC2)cc1C(F)(F)F 95943015 VFPWLJXZUXIXJX-HNNXBMFYSA-N 328.334 3.167 30 40 EGEB Cc1cc(C)n(CC(=O)Nc2ccc3ccccc3c2)c(=O)c1C#N 409412645 YYNIEUXEFMYPBQ-UHFFFAOYSA-N 331.375 3.129 30 40 EGEB C#CCOc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc1OC 35151606 SOQDFSCTEVCCBN-PDGQHHTCSA-N 325.324 3.061 30 40 EGEB COc1ccc([C@@H](C)/C(O)=N/S(=O)(=O)c2ccc(F)cc2)cc1 78665009 VNRIHEBCPAQRDM-LLVKDONJSA-N 337.372 3.283 30 40 EGEB C=CCn1cc(C(=O)OCC)c(=O)c2ccc(C(F)(F)F)cc21 199736485 GASIITWSXPPVED-UHFFFAOYSA-N 325.286 3.383 30 40 EGEB C=CCN(c1ccccc1C)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224741944 ZJOAPDOLDYOJNV-UHFFFAOYSA-N 332.381 3.285 30 40 EGEB C[C@@H](Nc1ccc2c(c1)CCO2)C(=O)N(CCC#N)c1ccccc1 96436891 BYANFFKCRUPXJL-OAHLLOKOSA-N 335.407 3.369 30 40 EGEB C=CCNC(=O)N[C@H](C)c1ccc(OCc2ccncc2)c(OC)c1 57441239 QADIMPMQTQOOTB-CQSZACIVSA-N 341.411 3.215 30 40 EGEB N#CCc1ccc(Br)c(F)c1I 98210859 AWRLITRUDWCSSH-UHFFFAOYSA-N 339.933 3.259 30 40 EGEB COc1ccc(C(=O)[C@H](C#N)C(=O)c2ccc(C)s2)cc1[N+](=O)[O-] 100871573 UDSZDKATLNNKAZ-NSHDSACASA-N 344.348 3.179 30 40 EGEB Cc1cc(=O)[nH]c(N/N=C/c2cccc(OCc3ccccc3)c2)n1 15587601 WOZRUJSFTFVTTJ-UDWIEESQSA-N 334.379 3.103 30 40 EGEB CCOc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cn2)cc1OCC 5139922 XHLRPBBIWPYPKS-VCHYOVAHSA-N 330.344 3.233 30 40 EGEB CCCOc1ccc([C@H]2NC(=O)NC(C)=C2C(C)=O)cc1OCC 4560437 VJZJBAKQTCHYAX-QGZVFWFLSA-N 332.400 3.091 30 40 EGEB Cc1ccc([C@@H](NS(=O)(=O)c2ccc(C#N)cc2)C2CC2)cc1 10682768 LIEBQJBQKONGIY-GOSISDBHSA-N 326.421 3.296 30 40 EGEB CC1=CC(=O)/C(=C(/C)Nc2ccc(Cc3ccncc3)cc2)C(=O)O1 101638262 JNERCURKBRGHLO-XMHGGMMESA-N 334.375 3.388 30 40 EGEB COc1ccccc1OCc1nc(C#N)c(NCc2cccnc2)o1 200309 CHACJTIBPYWMGQ-UHFFFAOYSA-N 336.351 3.141 30 40 EGEB Cc1ccc(C(=O)C[n+]2ccc(C(=O)NCc3ccccc3)cc2)cc1 2684663 ZQIYWTWXZGCBHH-UHFFFAOYSA-O 345.422 3.095 30 40 EGEB N#C[C@H](NC(=O)CCSc1ccccn1)c1ccc(F)cc1F 96461577 MYVUPKQAEUYTSP-AWEZNQCLSA-N 333.363 3.223 30 40 EGEB Cn1c(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2F)cc2ccccc21 103590620 BHSGNNAZBWJPPA-CYBMUJFWSA-N 335.338 3.279 30 40 EGEB C=CCN1C(=O)[C@](O)(CC(=O)c2ccccc2)c2cc(Cl)ccc21 1320483 SPQBBAKMMUIOGJ-IBGZPJMESA-N 341.794 3.333 30 40 EGEB CCc1ccc(OCC(=O)[C@@H](C#N)c2nc3ccccc3n2C)cc1 12564879 QSTWIYHSTDSFHM-MRXNPFEDSA-N 333.391 3.391 30 40 EGEB FC(F)Oc1ccccc1/C=N/NC(=S)NCc1ccccc1 3282131 BKARVGVTJYKQFE-RGVLZGJSSA-N 335.379 3.286 30 40 EGEB C[C@@H](NC(=O)c1occc1COc1cccc(C#N)c1)[C@H]1CCCO1 65564420 DXVHQTIZPBGDSZ-CXAGYDPISA-N 340.379 3.028 30 40 EGEB CC(C)(C)C(=O)C#Cc1ccc2c(c1N)C(=O)c1ccccc1C2=O 4623866 ZXQAYVWEYFIIMK-UHFFFAOYSA-N 331.371 3.011 30 40 EGEB C=CCOc1ccc(NS(=O)(=O)c2ccc(OC)c(F)c2)cc1 408694595 KSSSYGPZYHFLKL-UHFFFAOYSA-N 337.372 3.200 30 40 EGEB FC(F)Oc1ccc(/C=N/n2c(S)nnc2-c2ccco2)cc1 8340239 XPTMDJBXBIBJPK-CAOOACKPSA-N 336.323 3.310 30 40 EGEB N#Cc1ccsc1C(=O)N(CCc1ccccc1)[C@@H]1CCOC1 84528712 FEFFFRJHWVJTKX-MRXNPFEDSA-N 326.421 3.094 30 40 EGEB C=CCNc1ncc(C(=O)N2CCO[C@@H](c3ccccc3C)C2)s1 95429506 ITTKDMLOGZNQCS-OAHLLOKOSA-N 343.452 3.263 30 40 EGEB N#Cc1cc(F)ccc1NC(=O)N(CCO)[C@@H]1CCc2ccccc21 85619501 ZNUHGKVRSBBHCE-GOSISDBHSA-N 339.370 3.211 30 40 EGEB C=CCOC(=O)/C=C/c1ccc(OCc2cccnc2)c(OC)c1 216892672 WQQFYDNDQQHKGD-VQHVLOKHSA-N 325.364 3.412 30 40 EGEB C[C@H](c1cccc(C#N)c1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 187697553 JYKGSHPXKRJRNN-CJNGLKHVSA-N 337.383 3.109 30 40 EGEB N#Cc1cccc(/C=C/C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)c1 96416777 YGSZTLGTIKWFKQ-ROSSNEFBSA-N 334.375 3.378 30 40 EGEB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1cccnc1 1740149 OIGIVUXSKVQKHB-HYARGMPZSA-N 326.359 3.341 30 40 EGEB CCCCCCCCCC(=O)N[C@H](C(=O)O)[C@H](O)c1ccccc1 100922136 HKUCLNWSOJJBSV-ZWKOTPCHSA-N 335.444 3.430 30 40 EGEB C=CCn1c(SCn2nnc3ccccc3c2=O)nc2ccccc21 5619143 AXNPBPGDAOVTJR-UHFFFAOYSA-N 349.419 3.077 30 40 EGEB CC(C)(C)OC(=O)N[C@H]1CC[C@H](NCc2cccc(C#N)c2)CC1 100809323 XBDOKNWCBLNDLW-CALCHBBNSA-N 329.444 3.484 30 40 EGEB N#Cc1ccc(C(=O)Nc2nnc(CSc3ccccc3)o2)cc1 10689741 SKZKLDSXBQFJNY-UHFFFAOYSA-N 336.376 3.486 30 40 EGEB C[C@H]1CCC[C@@H](C)N1C[C@@H](O)Cn1cc(/C=N/O)c2ccccc21 12080468 SGYVGMPHVDOWDO-LQZVJTIQSA-N 329.444 3.073 30 40 EGEB COc1ccc(C)c2s/c(=N\C(=O)c3ccc(C#N)cc3)n(C)c12 12514627 CILYSRYABZHSMK-ZZEZOPTASA-N 337.404 3.170 30 40 EGEB Cc1c(C(=O)NCc2cccnc2)oc2c1/C(=N\O)CC(C)(C)C2 100931479 DERCNGDWDXYRTD-BKUYFWCQSA-N 327.384 3.064 30 40 EGEB N/C(=N\Cc1cccc(C(=O)N2CCCCC2)c1)NC1CCCCC1 72272506 SNYSYIRSDXXRAN-UHFFFAOYSA-N 342.487 3.050 30 40 EGEB CSc1[nH]c(=O)c(C(=O)N2CC[C@H](C)[C@@H]3CCCC[C@@H]32)cc1C#N 107358682 YIEJHRYILFGJAW-WHOFXGATSA-N 345.468 3.009 30 40 EGEB CN(C/C(O)=N/c1nncs1)Cc1ccccc1OC(F)(F)F 45810703 HAVOODBYHLRMDX-UHFFFAOYSA-N 346.334 3.157 30 40 EGEB CC/N=C1\S/C(=C\c2cccn2-c2ccc(O)cc2)C(=O)N1CC 4704816 WBFVBVGMRKUKIC-CEVXTBJXSA-N 341.436 3.495 30 40 EGEB Cc1cc(=O)oc2cc(/N=C(\O)N(C)Cc3ccc(O)cc3)ccc12 82098482 VJWLCUCTPMBTLJ-UHFFFAOYSA-N 338.363 3.485 30 40 EGEB C[C@@H](CC(=O)O[C@H](C)C(=O)Nc1ccccc1C#N)c1cccnc1 71914254 FICFTXLHPHDMNN-UONOGXRCSA-N 337.379 3.017 30 40 EGEB N#Cc1ccc(CN2CC[C@@H]3OCCC[C@@H]3C2)c(Br)c1 97047161 DVZPGBHYTSMKJR-ZBFHGGJFSA-N 335.245 3.322 30 40 EGEB Cc1csc(C2(NC(=O)[C@@H](C)Oc3ccc(C#N)cc3)CCC2)n1 75139726 SFHNLMAVXDHNJY-CYBMUJFWSA-N 341.436 3.286 30 40 EGEB Cc1ccc(S(=O)(=O)OCC(F)(F)[C@@H](F)C(F)(F)F)cc1 39648019 FYOWNGRNBFFLFM-SECBINFHSA-N 336.253 3.236 30 40 EGEB Cc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)C2(C#N)C#N)cc1 218333656 HYTCXPSEGUVVFU-ROUUACIJSA-N 336.416 3.277 30 40 EGEB O=S(=O)(/N=C(\O)[C@@H]1CCOc2ccccc21)c1ccc(F)cc1 77558654 SGOSJQWLRPTHPC-CQSZACIVSA-N 335.356 3.037 30 40 EGEB CC[C@@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)[C@H]1CCCO1 96493488 HUWBNPBSIJZTMR-WOJBJXKFSA-N 327.472 3.070 30 40 EGEB Cc1ccc(C(=O)[C@H](C#N)c2nnnn2-c2ccc(Cl)cc2)cc1 16291742 KYIJYWGLKXLYTH-HNNXBMFYSA-N 337.770 3.114 30 40 EGEB Cc1nc(N2CC(N3C[C@H]4CCC[C@H]4C3)C2)c(C#N)c(C)c1Cl 1889079639 GDAJOEXPMBDJPK-OKILXGFUSA-N 330.863 3.144 30 40 EGEB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1ccccc1C#N 30004641 IHKSVTDKHBWGEW-AWEZNQCLSA-N 328.437 3.155 30 40 EGEB C#CCCCOC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 52745541 NQXAGZSIPAUEAA-UHFFFAOYSA-N 342.416 3.231 30 40 EGEB Cc1nc(C(=O)OC[C@H](C#N)Cc2ccc(F)cc2)c2ccccn12 76090095 XVWIVIHHFCAGSW-HNNXBMFYSA-N 337.354 3.321 30 40 EGEB COc1cc(/C=N\O)cc(Cl)c1OCC(=O)Nc1ccccc1C 8571330 FEJQRKRFUMRGKI-OCKHKDLRSA-N 348.786 3.483 30 40 EGEB N#Cc1c(F)cccc1NCc1nnc2ccc(C(F)(F)F)cn12 57680861 RXVZVKRBPSHUAH-UHFFFAOYSA-N 335.264 3.371 30 40 EGEB C[C@H](C(=O)Nc1ccccc1C#N)N(C)CCOc1ccccc1F 10227800 VJVDDICVOSNSFF-CQSZACIVSA-N 341.386 3.035 30 40 EGEB CC1(C)CC(NC(=O)[C@]23CC[C@@](C)(/C(=N/O)C2)C3(C)C)CC(C)(C)N1 100867679 NWZQLOQRFLXCRT-OZGLUBAOSA-N 349.519 3.458 30 40 EGEB C/C(=C1\C(=O)C[C@@H]2[C@H]1C2(C)C)N1CCN(c2ccc(F)cc2)CC1 5163768 FHRJLIBVKIONQH-CWMDBPFZSA-N 328.431 3.467 30 40 EGEB COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cn2cccn2)cc1 71853693 CBVTYOOJQAUCAH-UHFFFAOYSA-N 348.362 3.194 30 40 EGEB C/C(=N\OC(=O)N(C)C)c1ncc(C(F)(F)F)cc1N1CCCC1 8781852 HLSNVXOKIOZENK-KEBDBYFISA-N 344.337 3.123 30 40 EGEB COc1cc(OC)c([N+](=O)[O-])cc1/C=N/OCc1ccccc1C#N 408593018 OBYUDPMYWXZHNH-VXLYETTFSA-N 341.323 3.034 30 40 EGEB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C(=O)N1/N=C/c1cccc2ccccc12)[C@@H]1C[C@H]31 226346205 KCWQNWPQOBZSRR-NTWBIIJSSA-N 342.398 3.227 30 40 EGEB C[C@H](/N=C(/O)N1C[C@H]2COC[C@@H](C1)O2)c1cccc(Cl)c1Cl 328738313 MCIRGOPJZBIHIL-GARJFASQSA-N 345.226 3.068 30 40 EGEB N#C[C@@H](c1c(F)cccc1Cl)N1CCC[C@@H](N2CCCC2=O)C1 195531725 OEOYPTGPOZSVPX-DOMZBBRYSA-N 335.810 3.131 30 40 EGEB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@H]4CCC[C@@]4(C)CC[C@H]32)[C@@H]1O 253618225 LGMXWRFZIGLDKL-WPXIXQKSSA-N 346.467 3.421 30 40 EGEB N#Cc1ccc(NC2CC2)c(NC(=O)C[C@@H]2C(=O)Nc3ccccc32)c1 619580825 HUZZPFKFLLKHJV-HNNXBMFYSA-N 346.390 3.197 30 40 EGEB N#CC1(NC(=O)CCc2nc(-c3cccs3)no2)CCCCC1 84445028 AKAHYRFRLYUUPT-UHFFFAOYSA-N 330.413 3.073 30 40 EGEB CCc1ccc([C@@H]2C3=C(Nc4ncnn42)c2ccccc2C3=O)cc1 5389384 LGMKOJMYLKFQTJ-GOSISDBHSA-N 328.375 3.463 30 40 EGEB C[C@H]1CC(=O)C2=C(C1)Nc1nonc1N[C@@H]2c1ccc2ncccc2c1 12324836 POWUMKGEISIKOE-BMLIUANNSA-N 347.378 3.450 30 40 EGEB Cc1c(Cl)c([N+](=O)[O-])nn1CCCC(=O)Nc1ccc(C#N)cc1 215057 JPKRTVAZUPPEIX-UHFFFAOYSA-N 347.762 3.044 30 40 EGEB CCCOc1ccc([C@@H]2C3=C(C[C@H](C)CC3=O)Nc3ncnn32)cc1 10339486 ZIXYNAJDZIKLIF-KPZWWZAWSA-N 338.411 3.335 30 40 EGEB CN(C(=O)Cc1cc(Cl)c2c(c1)OCCO2)c1cccc(C#N)c1 58011091 ITCKCIHBFDDOHF-UHFFFAOYSA-N 342.782 3.188 30 40 EGEB Cc1cc(C[C@@H](C)NC(=O)Nc2ccc(OC(C)C)c(C#N)c2)n[nH]1 119669433 BQANLAFSCNOBSS-GFCCVEGCSA-N 341.415 3.130 30 40 EGEB CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1cccc(C#N)c1 11371490 IXQJGMZOXOQEOW-RDTXWAMCSA-N 335.407 3.341 30 40 EGEB N#Cc1oc2ccccc2c1NC(=O)CSc1nnc2ccccn12 3527838 SOUAHWDASZCYTM-UHFFFAOYSA-N 349.375 3.078 30 40 EGEB C=CCc1ccc(OCC(=O)NCc2ccc(OC)cc2)c(OC)c1 8938160 DRXGGHWRUQNZHT-UHFFFAOYSA-N 341.407 3.128 30 40 EGEB CSc1nc(O)c(C(=O)N2CCCc3cc(F)ccc32)cc1C#N 97046545 PMHLLOOWBMYNMZ-UHFFFAOYSA-N 343.383 3.113 30 40 EGEB CC[C@H](C)n1nccc1NC(=O)[C@H](C)N(C)Cc1cccc(C#N)c1 65590564 XKDHQIHYQHXENK-GJZGRUSLSA-N 339.443 3.185 30 40 EGEB COCc1ccccc1CNC(=O)CSc1cccc(C#N)c1 89420381 HLIMMNQWAZEJFE-UHFFFAOYSA-N 326.421 3.113 30 40 EGEB N#Cc1ccccc1NC(=O)CCN1CCC(c2ccc(O)cc2)CC1 32891656 MPLIBZTVMAQWCH-UHFFFAOYSA-N 349.434 3.472 30 40 EGEB CCCCc1noc([C@@H]2CCCN(C(=O)c3cccc(C#N)c3)C2)n1 41122500 YNTRCFWLZDAHSP-MRXNPFEDSA-N 338.411 3.304 30 40 EGEB Cc1cc(/C(O)=N/[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)cnn1 329857053 YUEJAMIHGZZWKY-CVEARBPZSA-N 348.809 3.328 30 40 EGEB O=S(=O)(/N=C(\O)CC[C@H]1CCCO1)c1ccc2ccccc2c1 48408447 TWSUMNJGBVTICK-OAHLLOKOSA-N 333.409 3.444 30 40 EGEB O=c1c2[nH]c3ccc(Cl)cc3c2ncn1/N=C\c1cccc(O)c1 522483 INMJJNDTEAILRS-ZBKNUEDVSA-N 338.754 3.119 30 40 EGEB N#CC1(C(=O)N2CCc3ncnc(-c4ccccc4)c3C2)CCCC1 1565556469 UQVDWHCMSVKBFH-UHFFFAOYSA-N 332.407 3.112 30 40 EGEB Cc1cccc(OC[C@@H]2CCCN(C(=O)c3ccc(C#N)cc3)C2)n1 1775969275 IDAPZRWQDVVPEI-QGZVFWFLSA-N 335.407 3.193 30 40 EGEB COc1ccccc1NC(=O)[C@H](C#N)Cc1ccc(OC)c(OC)c1 419733 SQGDKCRXNBAFDI-AWEZNQCLSA-N 340.379 3.033 30 40 EGEB Cc1nn(C)c(C)c1[C@@H]1CCCN1c1ccc(C#N)cc1[N+](=O)[O-] 105795479 IGAHSUJRLYKUBM-HNNXBMFYSA-N 325.372 3.158 30 40 EGEB CC(C)[C@@H]1O[C@]2(C)OC(=N)[C@]1(C#N)C(C#N)(C#N)[C@@H]2c1ccccc1 102684981 LDYURYAXCISGAL-LORHWOILSA-N 334.379 3.092 30 40 EGEB CCN(C[C@H](C)C#N)C(=O)CCc1nc(-c2ccc(Cl)cc2)no1 58282416 YORXPFIPHPXTPO-GFCCVEGCSA-N 346.818 3.331 30 40 EGEB C[C@@H](c1ccc(F)cc1)N(C)C[C@@H](O)COc1ccc(C#N)cc1 25302267 GXQSMQDVIZMXGE-KBXCAEBGSA-N 328.387 3.130 30 40 EGEB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(Cc1ccc(C#N)cc1)C2=O 3405456 WGAGKZNBLMODGG-BFUOFWGJSA-N 325.412 3.195 30 40 EGEB CCOc1ccc(S(=O)(=O)/N=C(\O)[C@H](C)CC)cc1OCC 48493965 DWHAVTBNYAUFFG-LLVKDONJSA-N 329.418 3.175 30 40 EGEB COc1cc(C#N)ccc1O[C@@H](C)C(=O)Nc1ccc(F)c(F)c1 13004153 ISCVKUPTICDPMP-JTQLQIEISA-N 332.306 3.251 30 40 EGEB CSc1nc2n(n1)[C@@H](c1cccc(F)c1)C1=C(C[C@@H](C)CC1=O)N2 22608405 VRQFHMCAQHQYJX-PSLIRLAXSA-N 344.415 3.407 30 40 EGEB Oc1nc(N/N=C/c2ccc(Cl)cc2)nnc1-c1ccccc1 4158752 GAKYGOHAGOJQHF-VCHYOVAHSA-N 325.759 3.344 30 40 EGEB C=CCNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2 5043594 OZNIKQGFKQLHMX-BXKDBHETSA-N 340.305 3.052 30 40 EGEB COc1ccc(C(C)=O)cc1CO/N=C/c1cccc(OC)c1OC 14360387 KGNLUTQUFFAFFI-RGVLZGJSSA-N 343.379 3.466 30 40 EGEB CN(C)S(=O)(=O)c1cccc(/N=C/c2ccc3ncccc3c2)c1 4869043 XVFNKRWMKBAMPB-DEDYPNTBSA-N 339.420 3.236 30 40 EGEB Cn1ncc(/N=C/c2ccc([N+](=O)[O-])cc2)c1C(=O)Nc1ccccc1 15985206 LGROVXCCVVWPGB-YBFXNURJSA-N 349.350 3.331 30 40 EGEB N#Cc1c(N)sc2c1CCN(C(=O)Cc1ccc(F)cc1Cl)C2 89724099 UBDMPYSMJIJEMR-UHFFFAOYSA-N 349.818 3.122 30 40 EGEB Cc1ccc(S(=O)(=O)OCC(F)(F)[C@H](F)C(F)(F)F)cc1 39648018 FYOWNGRNBFFLFM-VIFPVBQESA-N 336.253 3.236 30 40 EGEB CC[C@@H](C)Oc1ccc(/C=C2/S/C(=N/C)N(C)C2=O)cc1OC 408929574 LCDYGIFYQVMUCL-YLRMXFHVSA-N 334.441 3.404 30 40 EGEB Cc1cc(S(C)(=O)=O)ccc1NCc1cn2ccccc2c1C#N 193455122 QGTXEZILEBSDFG-UHFFFAOYSA-N 339.420 3.135 30 40 EGEB Cc1nc(C)c(S(=O)(=O)/N=C(\O)CCc2ccc(F)cc2)s1 96446953 RIINVQYPPZMXID-UHFFFAOYSA-N 342.417 3.177 30 40 EGEB C[C@H](NCc1nnc2n1C[C@@H](C(F)(F)F)CC2)c1ccc(C#N)cc1 78890641 JJRLANDXWXCYHK-FZMZJTMJSA-N 349.360 3.125 30 40 EGEB C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2ccc(C#N)nc2)C1 97227714 MFWFEUNLNYQIPV-UONOGXRCSA-N 330.432 3.083 30 40 EGEB Cc1sc(NC(=S)NC(=O)COc2ccccc2)c(C#N)c1C 14257832 IYQGICUSGBQJKU-UHFFFAOYSA-N 345.449 3.129 30 40 EGEB CCOC(=O)[C@@H](C#N)[C@@H](Cc1ccccc1)c1ccc2c(c1)OCO2 169023 SHOOUTRHZYZRBO-IRXDYDNUSA-N 337.375 3.444 30 40 EGEB CCCC(=O)N(C(=O)CCC)C1=C(Cl)C(=O)c2ccccc2C1=O 1650602 KIHGVJLEFGJROI-UHFFFAOYSA-N 347.798 3.471 30 40 EGEB C#CCN1CCC(C(=O)N(C)[C@@H](CC)Cc2ccc(C)cc2)CC1 78228145 CVRZYCYQPUFEFH-FQEVSTJZSA-N 326.484 3.120 30 40 EGEB C=CCSc1nnc(CC(OC)OC)n1-c1ccc(Cl)cc1 3189646 XCNPJDCEDDFAPI-UHFFFAOYSA-N 339.848 3.360 30 40 EGEB N#Cc1cccc(C(=O)NCc2ccc(OCC(F)(F)F)cc2)c1 22417807 XMSSXVZHIYCCOY-UHFFFAOYSA-N 334.297 3.429 30 40 EGEB Cc1ccc(C(=O)OCC(=O)Nc2sc(C)c(C)c2C#N)cc1 8372206 VRSVCTBVRSFKCN-UHFFFAOYSA-N 328.393 3.341 30 40 EGEB N#Cc1ccc(CN2CCCN(C(=O)CCc3ccccc3)CC2)cc1 23450934 MYGURSLZIPEKPT-UHFFFAOYSA-N 347.462 3.225 30 40 EGEB CCCN(Cc1ccc(C#N)cc1)Cn1ncc2ccccc2c1=O 54515963 VXBXVRBGMNYQTJ-UHFFFAOYSA-N 332.407 3.138 30 40 EGEB COc1ccc([S@](=O)c2ccc(NC(=O)C3CC3)cc2C#N)cc1 1404336 MWPXOEJXBHKXOV-XMMPIXPASA-N 340.404 3.082 30 40 EGEB CC/N=c1/scc(-c2ccco2)n1/N=C/c1ccc(OC)c(O)c1 3248934 PWHFANGZFYULQN-AMTOVTBASA-N 343.408 3.327 30 40 EGEB CCn1c(N/N=C2/CCOc3c(C)cccc32)nc2ccccc2c1=O 63372359 ZJGORXAYKFDJEF-XLNRJJMWSA-N 348.406 3.324 30 40 EGEB Cc1occc1-c1nnc(SCC(=O)NC2(C#N)CCCCC2)o1 7195332 ZAIKIMWFUGINBL-UHFFFAOYSA-N 346.412 3.073 30 40 EGEB Cc1noc2ncc(NC(=O)c3ccc(N4CCCC4)c(C#N)c3)cc12 72285793 JJAVHPMRHLKRHK-UHFFFAOYSA-N 347.378 3.255 30 40 EGEB N#CCCN(Cc1cccnc1)C(=O)Nc1ccc(-n2cccn2)cc1 89793974 RPIRIJCHVHKAHW-UHFFFAOYSA-N 346.394 3.215 30 40 EGEB C#C[C@H](NC(=O)c1cccc(SC(F)(F)F)c1)[C@@H]1CCCO1 583651836 UBVWEBNZSIHDEU-STQMWFEESA-N 329.343 3.209 30 40 EGEB C[C@H](/C(O)=N/S(=O)(=O)Cc1noc2ccccc12)c1ccccc1 96502334 NQASASQLTJQSMD-LBPRGKRZSA-N 344.392 3.418 30 40 EGEB Cc1ccc(C(N)=O)cc1NC(=O)NC1(c2ccc(C#N)cc2)CCC1 594069875 FMEOEGSYRWCCSL-UHFFFAOYSA-N 348.406 3.167 30 40 EGEB Cc1cccc2sc(N3CCN(c4ncccc4C#N)CC3)nc12 891622285 WPQXNZMPJHFHDV-UHFFFAOYSA-N 335.436 3.198 30 40 EGEB CC(C)(C)OC(=O)N1CCN(c2nc3cc(C#N)ccc3s2)CC1 1083813795 JICMXYKUCBCIKP-UHFFFAOYSA-N 344.440 3.225 30 40 EGEB C=CCNC(=O)c1ccccc1NC(=O)COc1cc(C)ccc1C 13684389 BVVZVRJUNPKGHD-UHFFFAOYSA-N 338.407 3.237 30 40 EGEB CCCCOC1(NC(=O)c2ccc(OC)cc2)C(C)=CC(=O)C=C1C 16807583 ZUOMLFMVPBGRSI-UHFFFAOYSA-N 343.423 3.413 30 40 EGEB N#Cc1cc(Cl)nc(Sc2nnc(O)n2-c2ccccc2)c1 4289309 YNCVITOOWLOZPP-UHFFFAOYSA-N 329.772 3.044 30 40 EGEB C=CCOC[C@@H]1CC[C@H]2[C@@H]1OCCN2C(=O)Nc1ccc(C)cc1 503815610 QKSMSGFCTCALOK-RYQLBKOJSA-N 330.428 3.209 30 40 EGEB N#Cc1ccc(N2CC[C@@H](N3CC=C(c4ccccc4)CC3)C2=O)cc1 30633947 VBQRKRHECPRMBU-OAQYLSRUSA-N 343.430 3.453 30 40 EGEB CCOC(=O)c1sc(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)c(C#N)c1C 102065249 IXHJDQFQQLWVEX-SRVKXCTJSA-N 332.425 3.480 30 40 EGEB N#Cc1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)sc2c1CCCC2 2707840 YIGOKRMCEPRFIQ-NWDGAFQWSA-N 332.425 3.328 30 40 EGEB CC[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1cnn(C)c1 97016866 PRNBPWOIAQJXHT-WMZOPIPTSA-N 341.434 3.141 30 40 EGEB C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@H]1CN1CCCCCC1 12659734 ZSUPEDHHNCWLCU-WHHPXKAQSA-N 347.499 3.389 30 40 EGEB biogenic CCc1ccc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)o1 28884805 AVKFHHPUWZSHRN-UHFFFAOYSA-N 337.423 3.062 30 40 EGEB C=CCNc1nnc(SCCC(=O)N[C@H](C)c2ccccc2)s1 12775169 PWRFNWZFSLCOFR-GFCCVEGCSA-N 348.497 3.496 30 40 EGEB Cn1c(Cc2ccccc2)nnc1SCC(=O)c1ccc(C#N)cc1 9095782 FTHNNBSKINLSDT-UHFFFAOYSA-N 348.431 3.253 30 40 EGEB C=CCOc1ccc(CN(C)CC(=O)N[C@@H]2CCCC[C@@H]2C)cc1 7579890 ZOYVNIKQRHQQMD-QFBILLFUSA-N 330.472 3.378 30 40 EGEB COc1ccc(OCc2nc(SCC(C)C)nc(N)c2C#N)cc1 223694482 QPNGRBHBHQSJKN-UHFFFAOYSA-N 344.440 3.266 30 40 EGEB CCCCOc1ccc(/C=N/N2C(=O)CSC2=S)cc1OC 40144805 OMAFIYVRBVFFGZ-CXUHLZMHSA-N 338.454 3.068 30 40 EGEB CO[C@@]1(C(=O)Nc2ccc(OC(C)=O)cc2C#N)CCC[C@@H](C)C1 225809539 FDUVUFGXEGWXOB-XIKOKIGWSA-N 330.384 3.017 30 40 EGEB C=CCOC[C@]12CCCO[C@H]1CCN(Cc1ccc(OC)cc1)C2 96056890 WSIXJTYGUKJGEB-VQTJNVASSA-N 331.456 3.269 30 40 EGEB C[C@H](CC(=O)Nc1ccc(Cl)c(C#N)c1)NC(=O)C1CCCC1 84636825 GUNIVXIRTJCLIV-LLVKDONJSA-N 333.819 3.235 30 40 EGEB CC1(C)CC(NC(=O)[C@]23CC[C@](C)(/C(=N/O)C2)C3(C)C)CC(C)(C)N1 13513581 NWZQLOQRFLXCRT-GGNVCHBXSA-N 349.519 3.458 30 40 EGEB COc1ccccc1/C=C1\Oc2c(CN(C)C)c(O)cc(C)c2C1=O 20589200 YOJKHGBKWPSRCQ-YVLHZVERSA-N 339.391 3.387 30 40 EGEB COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C)cc1 203543 KOUZONRKPDKPHU-OAHLLOKOSA-N 341.407 3.095 30 40 EGEB COc1cccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)c1OC 4832378 BVOGXQWACQAESR-SOFGYWHQSA-N 326.348 3.371 30 40 EGEB CN(C)N1C(=O)C[C@H](c2ccc(F)cc2)C2=C1CC(C)(C)CC2=O 1422748 HTAQDNHNVLILJM-CQSZACIVSA-N 330.403 3.261 30 40 EGEB C=CCN1C(=O)/C(=C/c2cn(CC)c3ccccc23)C(O)=NC1=S 1900853 KMNSTRMEICBSPJ-GXDHUFHOSA-N 339.420 3.314 30 40 EGEB N#CC1(NC(=O)CN(Cc2c(F)cccc2Cl)C2CC2)CCCC1 27370388 BPWDDCHJCZIKOJ-UHFFFAOYSA-N 349.837 3.396 30 40 EGEB CCCCCCCC[C@@H](O)[C@@H](O)/C=C\[C@H](O)CCCCC(=O)O 67911369 KFPLVZLISLBBSJ-USHIQKTFSA-N 330.465 3.021 30 40 EGEB biogenic,in-vitro N#Cc1cccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccncc2)c1 8457495 FECWQNQUXMLORR-LJQANCHMSA-N 349.415 3.021 30 40 EGEB C=CCCO[C@H](C)C(=O)Nc1ccc(NC[C@@H]2CCCO2)c(F)c1 71916155 LFNPBSLSPLIXSC-HIFRSBDPSA-N 336.407 3.336 30 40 EGEB CCn1nnc2cc(C(=O)Nc3sc4c(c3C#N)CCC4)ccc21 72259910 DDXBRWCZXWNPRM-UHFFFAOYSA-N 337.408 3.125 30 40 EGEB CCOc1ccc(C#N)cc1NC(=O)N[C@H](C)c1c(C)noc1C 95397041 RNZYCNFMQUTKPA-SNVBAGLBSA-N 328.372 3.445 30 40 EGEB C#CCOc1ccc(CCNC(=O)c2occc2Br)cc1 95409148 OMJMDQSJCDHVBG-UHFFFAOYSA-N 348.196 3.027 30 40 EGEB N#Cc1ccccc1NC(=O)CCNC(=O)c1ccc2ccccc2c1 76709654 MHMIQHGBVCDEOC-UHFFFAOYSA-N 343.386 3.470 30 40 EGEB Cn1ccnc1N1CCC(/N=C(/O)C2(c3ccccc3)CCC2)CC1 330312592 WOXUKRGYQYILRK-UHFFFAOYSA-N 338.455 3.467 30 40 EGEB N#Cc1ccc(NC(=O)CCNC2(c3nccs3)CCCC2)cc1 96444986 FHEIGBBJSKDCHW-UHFFFAOYSA-N 340.452 3.402 30 40 EGEB C=CCO[C@@H]1CCN(C(=O)c2cccs2)[C@H]1Cc1ccncc1 96069886 AWYBBCNZGDIKFY-JKSUJKDBSA-N 328.437 3.172 30 40 EGEB N#Cc1ccc(N2C[C@@H]3CCN(Cc4ccc5[nH]ccc5c4)[C@@H]3C2)nc1 1889205950 GJWWGSOFDHZUBA-AZUAARDMSA-N 343.434 3.145 30 40 EGEB C[C@@H](O/N=C(/N)c1ccc(Cl)cc1)C(=O)NC1CCCCCC1 31083364 CQSWTJHQHALTNI-GFCCVEGCSA-N 337.851 3.204 30 40 EGEB CN1/C(=C\C(=O)CSc2cccc[n+]2[O-])C(C)(C)c2ccccc21 32859691 QDLHSHVOVZFRED-ATVHPVEESA-N 340.448 3.293 30 40 EGEB COc1cccc(NC(=O)[C@H](C#N)Cc2cc(OC)ccc2OC)c1 57525142 IRJOUSKROFWFSR-AWEZNQCLSA-N 340.379 3.033 30 40 EGEB CCOC(=O)[C@](C#N)(CCN(C)C)c1csc2ccc(C)cc12 2049125 OITLBMGNMSSCEX-SFHVURJKSA-N 330.453 3.486 30 40 EGEB COc1ccc(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1O 45372956 KYWBOGVBGZQGSI-FNORWQNLSA-N 344.363 3.323 30 40 EGEB CCOC(=O)c1ccc(-c2nnc(/N=C(\O)C(F)(F)F)o2)cc1 20496112 INVUXTVEBFHTTR-UHFFFAOYSA-N 329.234 3.064 30 40 EGEB CC(C)(C)c1ccc([C@H]2CCCN2C(=O)Cn2ccnc2C#N)cc1 179862913 DNHMLCWAOFSFRQ-QGZVFWFLSA-N 336.439 3.416 30 40 EGEB N/C(=N/CCc1ccccc1)SCc1cc(F)cc2c1OCOC2 15456706 WEMGSCGDZHIDGL-UHFFFAOYSA-N 346.427 3.483 30 40 EGEB Cc1nn(C)c2nc(C3CC3)cc(C(=O)[C@@H](C#N)c3ccc(F)cn3)c12 97039095 SPCWIXCJOOJYBY-AWEZNQCLSA-N 349.369 3.178 30 40 EGEB N#C[C@@H](NC(=O)c1cc(F)c(F)c(O)c1F)c1ccc(F)cc1F 97374753 OXSJCJDGEJJEQM-LLVKDONJSA-N 342.223 3.082 30 40 EGEB O=C1C[C@H](/C(O)=N/c2nc(-c3cccs3)n[nH]2)c2ccccc2N1 95394883 YCNFXQQIQAADJJ-JTQLQIEISA-N 339.380 3.247 30 40 EGEB CC(=O)c1cn(C/C(O)=N/c2nc(CC(C)C)n[nH]2)c2ccccc12 95480362 MVXSCPVCRPFOIH-UHFFFAOYSA-N 339.399 3.449 30 40 EGEB C=C(C)CN(C)C(=O)N[C@H](C)c1nc(-c2ccccc2OC)no1 95995072 PAFAYRAGXKCWAS-GFCCVEGCSA-N 330.388 3.024 30 40 EGEB Cc1ccc(CC(=O)N[C@H](C#N)c2cnn(-c3ccccc3)c2)cc1 89632183 DKSWOTXLVOJAER-LJQANCHMSA-N 330.391 3.104 30 40 EGEB C[C@]12CN(/N=C/c3ccc(Cl)cc3)[C@]3(C(N)=O)C[C@H]1CC[C@]23C 35986558 WYNOWNMBEJHPPD-RIJLQGMBSA-N 331.847 3.040 30 40 EGEB Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(c2ccc(C#N)nc2)C1 520261713 WRUHRJABDGYBRZ-LLVKDONJSA-N 335.333 3.090 30 40 EGEB O=C1/C(=N\Nc2ccccc2)c2cccc(F)c2N1C1CSC1 223756095 VWNOIOGXASHVPH-HKWRFOASSA-N 327.384 3.104 30 40 EGEB Cc1nn(-c2ccccc2)c(COC(=O)COC2CCCC2)c1C#N 51741357 MXRRMGRVUOSDPV-UHFFFAOYSA-N 339.395 3.055 30 40 EGEB Cc1ncc(CO)c(/C=N/Nc2cccc(C(F)(F)F)c2)c1O 5019591 DQEQILHPQQQWGE-IFRROFPPSA-N 325.290 3.053 30 40 EGEB N#Cc1cnc(N2CC[C@@H](COc3ccc(F)cn3)C2)c(Cl)c1 1889101113 NPMNFDZUHXLTEI-LLVKDONJSA-N 332.766 3.046 30 40 EGEB COc1ccc(N2CCN(c3ccc(/C(C)=N\O)s3)CC2)cc1 100346568 NLHZLOBBRBXGLF-AQTBWJFISA-N 331.441 3.282 30 40 EGEB COC(=O)c1occc1/C=C/C(=O)c1ccc2c(c1)OCCCO2 32853621 KQLOJDPRSOILPF-HWKANZROSA-N 328.320 3.124 30 40 EGEB Nc1ccccc1C(=O)OC/C(=N\O)c1ccc(Br)cc1 102519924 DRRJEIFJHNTRME-NBVRZTHBSA-N 349.184 3.067 30 40 EGEB CC(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(Cl)cc1 74586 OONLDSBMZOWCKC-HNNXBMFYSA-N 331.755 3.418 30 40 EGEB Cc1cc(Cl)ccc1NC(=O)COC(=O)c1ccc(C#N)cc1F 8336308 YFOIUYXNAQVSCR-UHFFFAOYSA-N 346.745 3.455 30 40 EGEB C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccco3)ccc21 8958761 GYBMRMPLUUWTTM-UHFFFAOYSA-N 340.379 3.470 30 40 EGEB Cc1ccc(S(=O)(=O)O[C@@H]2[C@H]3[C@@H]4S[C@H]5[C@H]6CC[C@@H]([C@H]25)[C@@H]3[C@H]64)cc1 104055755 BNRVSUWIRICMPT-KIWGWWTGSA-N 348.489 3.085 30 40 EGEB C=CCn1c(Cc2csc(NC(=O)c3ccoc3)n2)n[nH]c1=S 12776065 NLYADPBNQUIENH-UHFFFAOYSA-N 347.425 3.019 30 40 EGEB C=CCNC(=O)CSc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1 12982331 SLPUHYCYLJIUFF-SNVBAGLBSA-N 349.481 3.317 30 40 EGEB Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)Nc1nn(C(C)C)cc1C#N 95984871 FMLCUWGHEDKKGZ-CQSZACIVSA-N 341.419 3.045 30 40 EGEB Cc1ccnc(NC(=O)CN(C)Cc2ccccc2C(C)(C)C#N)c1 89700985 QSGXCWPVDUTFSA-UHFFFAOYSA-N 336.439 3.262 30 40 EGEB Oc1ccc(/C=N/Nc2ccccc2)cc1I 408961145 APBKNXIGEYXMIW-OQLLNIDSSA-N 338.148 3.443 30 40 EGEB N#Cc1csc(C(=O)N2CCN(c3cncc4ccccc34)CC2)c1 194284865 ZQTOXHVOGVYVHK-UHFFFAOYSA-N 348.431 3.130 30 40 EGEB COc1cccc(-n2nc(C#N)c(N3CC[C@@H](c4ccccc4)C3)n2)c1 256047079 KFWZPYSXHXVYLP-MRXNPFEDSA-N 345.406 3.141 30 40 EGEB O=C1[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1c(O)ccc2ccccc12 101108698 FGSNUPZWVPHNII-OTIOQCEHSA-N 346.386 3.077 30 40 EGEB N#Cc1nc(-c2ccco2)oc1N1CCN(CCc2ccccc2)CC1 40071644 SIEJZDZUIGFURD-UHFFFAOYSA-N 348.406 3.171 30 40 EGEB N#C[C@H](C(=O)Nc1ccccn1)C(=O)c1cc2c(s1)CCCCC2 102387416 ZDCWSVUHPFVZRL-ZDUSSCGKSA-N 339.420 3.373 30 40 EGEB Cc1sc(NC(=O)c2ccc(Cn3cncn3)cc2)c(C#N)c1C 21893349 CZIYHQJNHOQLKP-UHFFFAOYSA-N 337.408 3.129 30 40 EGEB C=CCSc1nnc(-c2ccc(=O)n(Cc3ccccc3)c2)o1 3052075 FJZRLYDRSYSAQM-UHFFFAOYSA-N 325.393 3.225 30 40 EGEB C[C@H]1CCC[C@@H](N2CNC(=Nc3nc4ccccc4o3)NC2)[C@@H]1C 9015939 LQXFYMSTKVYQHS-GZBFAFLISA-N 327.432 3.050 30 40 EGEB N#Cc1cccc(NC(=O)N(Cc2ccncc2)C[C@@H]2CCCO2)c1 58159281 BGJAZLONBIBRSW-SFHVURJKSA-N 336.395 3.166 30 40 EGEB Cc1cc(NC(=O)CCSc2nc(C)c(C)c(C)c2C#N)no1 10273340 BMMBITXVQRPXFA-UHFFFAOYSA-N 330.413 3.296 30 40 EGEB Cc1nn(-c2ccc(Cl)cc2)c(C)c1C/C(O)=N/c1ncn[nH]1 48363740 ZCVSRMKNMOOQDQ-UHFFFAOYSA-N 330.779 3.091 30 40 EGEB COc1ccc(C[C@H]2S/C(=N\c3ccc(F)cc3)NC2=O)cc1 13425368 OCTRNRAGXWYDEH-OAHLLOKOSA-N 330.384 3.296 30 40 EGEB COc1ccc([C@H]2NC(=O)c3ccccc3N2)cc1OCCCC#N 65606584 UBPKHAXUIRGLOO-GOSISDBHSA-N 337.379 3.232 30 40 EGEB Cc1cccc(S(=O)(=O)Nc2nc(C)c(SCC#N)s2)c1 66253625 JDRIBJRPUBUKCV-UHFFFAOYSA-N 339.467 3.176 30 40 EGEB C=CCN1C(=S)SC(C)(C)[C@@H]1/[N+]([O-])=C/c1ccccc1OC 4785581 UYRCRUUNGCPQQJ-DZBQEORWSA-N 336.482 3.249 30 40 EGEB COc1cccc(/C=C/c2nc(C#N)c(NC[C@H]3CCCO3)o2)c1 8494544 KPGLUCOCXIIUER-MVGZEHJDSA-N 325.368 3.316 30 40 EGEB C/C(=N\Nc1c(F)c(F)nc(F)c1F)c1ccc2c(c1)OCO2 8403447 QQXHNJWRMDSVBK-CGOBSMCZSA-N 327.237 3.203 30 40 EGEB CN(C(=O)Nc1cccc(C#Cc2ccccn2)c1)[C@H]1CCSC1 89335208 QFOKZVYYHZFXRZ-SFHVURJKSA-N 337.448 3.451 30 40 EGEB N#CC1(C(=O)NCCCNc2ccnc3cc(Cl)ccc23)CC1 225992415 ABOODCMYQBWVQH-UHFFFAOYSA-N 328.803 3.110 30 40 EGEB Cc1ccccc1NC(=O)N1CCC(Oc2ccc(C#N)cn2)CC1 90607652 CBGFEBLNVIJUDW-UHFFFAOYSA-N 336.395 3.337 30 40 EGEB N#CCc1ccc(NC(=O)N2CC[C@H](CN3CCCCC3)C2)cc1 97101260 HJFKUESGPHVFRG-QGZVFWFLSA-N 326.444 3.092 30 40 EGEB C=CCNC(=O)/C(=C\C=C\c1ccccc1)NC(=O)c1ccccc1 4611521 PQTBFKJMVMULTF-NSMFRCMUSA-N 332.403 3.316 30 40 EGEB N#Cc1c[nH]ccc1=Nc1cnn(-c2ccccc2Br)c1 548162621 PVCNVLAXWVPJJQ-UHFFFAOYSA-N 340.184 3.067 30 40 EGEB C=C(C)C(=O)Oc1cccc(N2C(=O)[C@@H]3CC=C(C)C[C@H]3C2=O)c1 100496725 GRNRHXJUPQDZDB-HZPDHXFCSA-N 325.364 3.014 30 40 EGEB CCCCCCCCCCCCNC(=O)C(=O)NC[C@H]1CCCO1 100999142 GDBJWFIVPLAFFR-QGZVFWFLSA-N 340.508 3.319 30 40 EGEB CCCCCCCCOC(=O)CSc1nc(N)c(C#N)cc1C#N 53277358 NWCVPVYGWSVXOI-UHFFFAOYSA-N 346.456 3.403 30 40 EGEB CC(=O)C(CCC#N)(CCC#N)C(CCC#N)(CCC#N)C(C)=O 3040062 GCJMPFLHAKHFIX-UHFFFAOYSA-N 326.400 3.352 30 40 EGEB N#Cc1ccc(F)c(CN2CCC[C@@H](c3noc(C4CC4)n3)C2)c1 72299929 YBJFYGLAUKLPGF-CQSZACIVSA-N 326.375 3.337 30 40 EGEB CC/N=C1\S/C(=C/c2ccc(OCC)c(OC)c2)C(=O)N1CC 102944395 BQUSWPRZNCNLHE-ODVGHASUSA-N 334.441 3.406 30 40 EGEB CC(C)Cn1cc(NC(=O)[C@H](C#N)c2nc3ccccc3s2)cn1 95453869 HWXBUXDNZXZGCO-ZDUSSCGKSA-N 339.424 3.395 30 40 EGEB C[C@H](Sc1ccccc1C(=O)O)C(=O)Nc1cccc(C#N)c1 12785825 CTGLMMATENYMOD-NSHDSACASA-N 326.377 3.376 30 40 EGEB CCCCCCC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccccc2)C1=O 3341099 MFRPQNUUZJTPQE-LJQANCHMSA-N 345.443 3.296 30 40 EGEB N#Cc1ccc(NC(=O)COC(=O)c2cc3c(s2)CCCC3)cc1 5307860 FEJSKPVZKNCQHI-UHFFFAOYSA-N 340.404 3.294 30 40 EGEB COc1ccc(/C=N/Nc2nc3ccccc3[nH]2)c(OC)c1OC 5455111 UJLHGUOSFNLMBK-VCHYOVAHSA-N 326.356 3.035 30 40 EGEB C=CCOc1ccc(NS(=O)(=O)c2ccc(F)c(OC)c2)cc1 408681585 YDGFDCXVNWSIEJ-UHFFFAOYSA-N 337.372 3.200 30 40 EGEB CCOc1ccc([C@H]2C3=C(CCCC3=O)Nc3[nH]nc(O)c32)cc1 18195427 NVBCPFATVBHZOI-AWEZNQCLSA-N 325.368 3.079 30 40 EGEB Cc1ccccc1OCc1ccc(/C=N/n2c(C)nnc2S)o1 36611116 VFTISBRRUFAZRM-RQZCQDPDSA-N 328.397 3.238 30 40 EGEB CC(C)S(=O)(=O)Cc1cccc(NC(=O)C2(C#N)CCCCC2)c1 78997480 ANAWJYMEPYXSIF-UHFFFAOYSA-N 348.468 3.422 30 40 EGEB N#CCCCCCCn1nc(Br)nc1Br 71978782 AWUSKFGUWNBINR-UHFFFAOYSA-N 336.031 3.277 30 40 EGEB N#Cc1ccc(F)c(CNC(=O)NCc2ccc3ncccc3c2)c1 194207519 HSSAEOCYYVQKFJ-UHFFFAOYSA-N 334.354 3.245 30 40 EGEB C[C@@H]1C(O)=NCCN1/C(O)=N/[C@@H]1CC=C(c2ccc(F)cc2)CC1 329268131 GKNLBWQGHNPYNV-MLGOLLRUSA-N 331.391 3.336 30 40 EGEB CC(C)c1n[nH]c(/N=C(\O)COc2ccccc2Br)n1 95449247 DWIUKOFSKMOREM-UHFFFAOYSA-N 339.193 3.358 30 40 EGEB Cc1cc(NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)ccn1 79051773 UJSFBTSGBKTPJF-UHFFFAOYSA-N 341.314 3.081 30 40 EGEB COc1ccc(/C=C(/C(C)=O)C(=O)Nc2ccc(OC)cc2)cc1 5377867 UDWAQHNUFQCATO-PDGQHHTCSA-N 325.364 3.315 30 40 EGEB CCCNc1ccc(C#N)cc1NC(=O)CCc1c(C)nn(C)c1C 76042065 LSXRATHBVHNTAI-UHFFFAOYSA-N 339.443 3.302 30 40 EGEB Cc1noc(C)c1CC(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 41558344 BNBXYUVUQHKHRM-LBPRGKRZSA-N 344.321 3.455 30 40 EGEB CCOC(=O)CCCOc1nc(-c2ccco2)c2c(c1C#N)CCC2 12324740 MCMVILQTUAALJQ-UHFFFAOYSA-N 340.379 3.424 30 40 EGEB CCCCNC(=O)[C@H](C#N)c1nc2ccccc2nc1OCCCC 2368425 UKVMVKIPKVSSSI-CQSZACIVSA-N 340.427 3.332 30 40 EGEB O=S(=O)(NC1CCCC1)c1ccc(NN=C2CCCCC2)nc1 46100234 PZRGKSRRNLDYNE-UHFFFAOYSA-N 336.461 3.035 30 40 EGEB Cn1cccc1[C@@H]1CCCN1CC(=O)Nc1ccc(C#N)c(Cl)c1 6543757 PHSDOAAWEVVCBG-KRWDZBQOSA-N 342.830 3.326 30 40 EGEB Cc1ccc2c(COC(=O)COc3ccccc3C#N)cc(=O)oc2c1 6551632 VKUJGOZQNIFRTF-UHFFFAOYSA-N 349.342 3.095 30 40 EGEB CNc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] 6637405 CTQQPQMWUCGEFC-ZZXKWVIFSA-N 340.335 3.304 30 40 EGEB aggregator Cc1oc(NC(=O)[C@H](C)N(C)Cc2ccc(Cl)nc2)c(C#N)c1C 80910636 OASZSJRGFIAEHS-NSHDSACASA-N 346.818 3.276 30 40 EGEB CNC(=S)N/N=C/c1cn(Cc2ccc(C)cc2)c2ccccc12 8683284 ATMMWZRIJACQRN-SRZZPIQSSA-N 336.464 3.426 30 40 EGEB C[C@@H](C#N)Sc1nnc(-c2cnccn2)n1-c1ccc(Cl)cc1 124202724 SEBRNSOOYJMXHP-JTQLQIEISA-N 342.815 3.382 30 40 EGEB CC[C@H](C)CS(=O)(=O)/N=C(\O)c1sccc1Br 79029187 DLXQAYIHLFXLEI-ZETCQYMHSA-N 340.264 3.191 30 40 EGEB Cc1ccc(OCCN2C(=O)/C(=N\O)c3cccc(Cl)c32)cc1 46084729 RIKPDBBPQLVGIP-CYVLTUHYSA-N 330.771 3.252 30 40 EGEB C#C[C@@](C)(CC)OC[C@H](O)CN1CCC(Cc2ccccc2)CC1 96305967 SCCBWLOJLYFAMK-RTWAWAEBSA-N 329.484 3.121 30 40 EGEB N#Cc1cc(N2CC[C@@H]3C[C@@H]3C2)cc(N2CC[C@@H]3C[C@@H]3C2)c1[N+](=O)[O-] 596509237 HLKVREIFYFQFAT-RRCSTGOVSA-N 338.411 3.159 30 40 EGEB C[C@H](OC[C@@H]1CCCO1)C(=O)[C@H](C#N)c1nc2ccccc2s1 69740602 HGCCJUWXCFPTAZ-AVGNSLFASA-N 330.409 3.057 30 40 EGEB CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2ccccc2)[nH]c1=O 75117551 RLNVQZFVSMGTBH-UHFFFAOYSA-N 343.386 3.186 30 40 EGEB N#CC1(C#N)[C@@H](Cc2ccccc2)O[C@@]23CCCC[C@@H]2[C@@]1(C#N)C(=N)O3 102788751 GFOHRJRQVKEVJH-YAJHFMINSA-N 346.390 3.065 30 40 EGEB N#Cc1cc(-c2ccccc2)sc1NC(=O)COC[C@@H]1CCCO1 71904437 CXZKUKRKRQAOPI-HNNXBMFYSA-N 342.420 3.421 30 40 EGEB C[C@H](c1ccccc1F)N(CC(=O)NC1(C#N)CCCC1)C1CC1 54396179 HSKXRKQOSXZZCU-CQSZACIVSA-N 329.419 3.304 30 40 EGEB C[C@@](C#N)(NC(=O)CSc1ncc(-c2ccccc2)o1)C1CC1 58197116 WPUDZVAIEHTGFO-KRWDZBQOSA-N 327.409 3.242 30 40 EGEB COc1ccccc1/C=C1/Oc2c(ccc(O)c2CN(C)C)C1=O 36065966 GYLNOABESDDCBO-LICLKQGHSA-N 325.364 3.079 30 40 EGEB CCOc1ccccc1-n1c(SCC#N)nnc1-c1cccnc1 3346540 REODXFIIJDZFMQ-UHFFFAOYSA-N 337.408 3.344 30 40 EGEB C=CCn1c(C)nnc1SCC(=O)Nc1cc(Cl)ccc1C#N 3424237 KYTPAMDHWLAGBV-UHFFFAOYSA-N 347.831 3.028 30 40 EGEB CCCC/C(O)=N/S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 48513940 UYNKCPNJVVULLN-UHFFFAOYSA-N 334.319 3.412 30 40 EGEB N#CCOc1ccc(CSc2nnc(N3CCCC3)s2)cc1 65563024 UILVUJFESNATCT-UHFFFAOYSA-N 332.454 3.333 30 40 EGEB C[C@H](C(=O)NCC#Cc1ccc(C(F)(F)F)cc1)C1CCOCC1 95439664 JVNNWBIRDUKQPP-ZDUSSCGKSA-N 339.357 3.236 30 40 EGEB O=S(=O)(/N=C(\O)C1CC1)c1cc(Br)ccc1Cl 95447497 RCPMULHMUAHSBV-UHFFFAOYSA-N 338.610 3.158 30 40 EGEB CC(C)(C)c1ccc([C@H](C#N)NC(=O)[C@H]2CC23CCOCC3)cc1 98018637 YVTZZHUHDNNJAU-SJORKVTESA-N 326.440 3.482 30 40 EGEB C=CCOC[C@]12CCCO[C@H]1CCN(C(=O)CCc1ccccc1)C2 96039681 KFIZJKWVWHJLIJ-PZJWPPBQSA-N 343.467 3.220 30 40 EGEB C=CCOC[C@@]12CCCO[C@H]1CCN(C(=O)c1sccc1C)C2 96039665 CXBABLGHEGYBNP-YJBOKZPZSA-N 335.469 3.270 30 40 EGEB CCn1c(NC(=O)c2ccc3c(n2)CCCC3)nc2cc(C#N)ccc21 611211379 CRWJUTOQEOYYRC-UHFFFAOYSA-N 345.406 3.454 30 40 EGEB CCn1c(O)nc2cc(C(=O)N[C@@H]3CCc4cc(C#N)ccc43)ccc21 597586179 YLBNJJSKCBOAES-MRXNPFEDSA-N 346.390 3.051 30 40 EGEB Cc1cc([C@@H](C#N)C(=O)c2cc(C3CC3)n(C(C)(C)C)n2)nc(C)n1 49408094 DSDXBELJRSITPJ-CQSZACIVSA-N 337.427 3.412 30 40 EGEB CC1(C)Cc2cccc(OS(=O)(=O)c3ccccc3C#N)c2O1 16094119 NAABZIPMTSCUTA-UHFFFAOYSA-N 329.377 3.039 30 40 EGEB C[C@H]1CC(=O)C2=C(C1)Nc1nc(C(F)(F)F)nn1[C@H]2c1ccco1 19959803 VIKLVZCYIYKGLL-KRTXAFLBSA-N 338.289 3.158 30 40 EGEB CCNC(=S)N/N=C/c1cccn1-c1cccc(C(F)(F)F)c1 6387072 IYQVNKDQGIWZKT-KEBDBYFISA-N 340.374 3.314 30 40 EGEB Cc1cccc(C(=O)N[C@H](C(=O)Nc2cccc(C#N)c2)C(C)C)c1 2664203 HKWCWGXWIINPKJ-SFHVURJKSA-N 335.407 3.260 30 40 EGEB N#Cc1ccc(S(=O)(=O)Oc2cccc3c2CCC3=O)cc1Cl 59826758 QQRUHSBFWYQZHN-UHFFFAOYSA-N 347.779 3.108 30 40 EGEB C[C@H]1CN(Cc2ccc(CNCc3cccc(C#N)c3)cc2)C[C@H](C)O1 47609584 RKQJVHURAMXVPA-ROUUACIJSA-N 349.478 3.457 30 40 EGEB Cc1cc(O)c(C(=O)/C=C/c2ccc(Br)cc2)c(=O)o1 101512011 HEVVWTXGHMEBER-QPJJXVBHSA-N 335.153 3.312 30 40 EGEB Cn1cccc1[C@@H]1CCCN1CCC(=O)Nc1sccc1C#N 58068039 JNXCDSAUUSBARN-HNNXBMFYSA-N 328.441 3.124 30 40 EGEB C=CCn1nnnc1SCC(=O)c1ccc(Cl)c(Cl)c1 4176440 PTVUYQLEASRXPT-UHFFFAOYSA-N 329.212 3.141 30 40 EGEB COC(=O)c1c(C)[nH]c(C(=O)CO/N=C/c2ccccc2Cl)c1C 8394371 XIANWJAZEPIURX-UFWORHAWSA-N 348.786 3.305 30 40 EGEB N#Cc1ccc(CNC(=O)N(C[C@H]2CCCO2)C2CCCC2)c(F)c1 95408169 IKUXTAXBGOIWIH-QGZVFWFLSA-N 345.418 3.331 30 40 EGEB COc1ccc2[nH]cc(CCNc3ncc([N+](=O)[O-])cc3C#N)c2c1 79089802 VFCBWKLAFSUGGX-UHFFFAOYSA-N 337.339 3.006 30 40 EGEB COC[C@@]1(C#N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1 218045216 RUEZDNIUIFOANR-GBESFXJTSA-N 341.432 3.091 30 40 EGEB Cc1cc(C)nc([C@H](C#N)C(=O)c2cccc(OC(F)(F)F)c2)n1 121490918 QIUTVSVNTJPMKS-CYBMUJFWSA-N 335.285 3.482 30 40 EGEB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OC(C)=O)c(C#N)c1 225803193 JVHYXVKAPUFHBH-SFHVURJKSA-N 332.400 3.407 30 40 EGEB O=S(=O)(N/N=C/c1cc2ccccc2nc1Cl)c1ccccc1 44060406 RYNQSGMCJYTJCJ-WOJGMQOQSA-N 345.811 3.201 30 40 EGEB N#Cc1ccc(F)c(CN[C@H](CN2CCCC2=O)c2ccccc2)c1 96490962 GLEZBJFWQILPRZ-LJQANCHMSA-N 337.398 3.151 30 40 EGEB C[C@@H]1COCCN1c1ccc(NC(=O)C2(C#N)CCCCC2)cc1 96414136 ANLDIZKMJHHNNL-OAHLLOKOSA-N 327.428 3.324 30 40 EGEB C#CCCC1(CCC(=O)NCc2ccc(Cl)c(C(=O)O)c2)N=N1 1616030704 DXJOEHMQFCTEOC-UHFFFAOYSA-N 333.775 3.010 30 40 EGEB O=C1c2ccc3c4c(ccc(c24)C(=O)N1/N=C/c1ccc(O)cc1)CC3 3092279 IXOCUEUCXCWPDH-SSDVNMTOSA-N 342.354 3.274 30 40 EGEB CCOc1cc2c(cc1CNC(=O)c1ccc(C#N)cc1)O[C@H](C)C2 5406548 MBWRVXCMSRKNFB-CYBMUJFWSA-N 336.391 3.210 30 40 EGEB C=CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccccc1F 101231822 IEBHQESVSWPCLS-GROYHEBESA-N 337.350 3.433 30 40 EGEB Cc1c(CN[C@H](c2ccc3c(c2)OCCO3)C2CC2)cc(C#N)n1C 79924126 DEFLSRIVXHKGMF-FQEVSTJZSA-N 337.423 3.217 30 40 EGEB C[C@]12CC[C@@H]3[C@H](C[C@@H]4O[C@@]45CC4(CC[C@]35C)OCCO4)[C@@H]1CCC2=O 4025665 YXFMREIBQXTTRD-QNGQQRGJSA-N 346.467 3.473 30 40 EGEB biogenic CC(C)Cn1ncc2cc(C(=O)N(CC#N)Cc3ccccc3)cnc21 58367315 HVXIIAAAUZQJRU-UHFFFAOYSA-N 347.422 3.253 30 40 EGEB COc1ccc(C)cc1-n1nnnc1SCc1ccccc1C#N 3536705 MTQWHBFUZPBJGO-UHFFFAOYSA-N 337.408 3.143 30 40 EGEB C=CCN(Cc1cccs1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 14098353 AZBDDPNZIKXAJU-UHFFFAOYSA-N 338.410 3.033 30 40 EGEB C[C@@H]1CN(C(=O)COc2cccc(F)c2)/C(=N/c2cccnc2)S1 65587752 QRRDLHIXDMNPLO-AQNJYJFJSA-N 345.399 3.251 30 40 EGEB CC1=NOC(=O)/C1=C/c1cccc(OCc2ccc(C(=O)O)cc2)c1 409082316 SAGOYIQEGQNRHX-LICLKQGHSA-N 337.331 3.280 30 40 EGEB CCCCCCC[C@@H](O)/C=C\[C@@H](O)CC[C@H](O)CCCC(=O)O 38139748 FITAKYVPWCVTII-UPLOWZDMSA-N 330.465 3.021 30 40 EGEB biogenic,in-vitro CCOC1(C(=O)Nc2ccc(OC(C)=O)cc2C#N)CCCCC1 225830160 CAKYZJXQBZLLFD-UHFFFAOYSA-N 330.384 3.161 30 40 EGEB N#Cc1cc(NCCOCC(F)(F)F)nc2ccc([N+](=O)[O-])cc12 96426890 UTWXJKKLMKGCIH-UHFFFAOYSA-N 340.261 3.005 30 40 EGEB COc1ccc(NC(=O)[C@H](C#N)Cc2cc(OC)ccc2OC)cc1 57525126 OWGDKRQHANDTQW-AWEZNQCLSA-N 340.379 3.033 30 40 EGEB CCOc1ccc(C(=O)C[N+]2=C(CC)c3ccc(C)n3CC2)cc1 1813800 WRDXIBFCCIWMIM-UHFFFAOYSA-N 325.432 3.303 30 40 EGEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)/C=C/c1cccs1 12569762 RHAPZMVMFGDKOM-AATRIKPKSA-N 346.795 3.468 30 40 EGEB COCCN(Cc1ccco1)C(=O)CSCc1ccc(C#N)cc1 47863233 XECNAPUFNFTNSU-UHFFFAOYSA-N 344.436 3.060 30 40 EGEB CCOc1ccc(NS(=O)(=O)c2cccc(C#N)c2)cc1OCC 3351503 WDMFIGKJEQRLNX-UHFFFAOYSA-N 346.408 3.156 30 40 EGEB COc1ccc(-c2nnc(SC[C@H](C#N)CCC#N)o2)c(OC)c1 8941717 WYZPUEBNHITDOG-NSHDSACASA-N 344.396 3.289 30 40 EGEB O=C(/C=C/c1cn2ccccc2n1)c1cccc(N2CCCC2=O)c1 64360273 DZDYTBRELGHZRY-MDZDMXLPSA-N 331.375 3.357 30 40 EGEB N#Cc1ccsc1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 65714574 PIQOSKBEWQJXAI-UHFFFAOYSA-N 326.337 3.121 30 40 EGEB N#C[C@H](C1=NS(=O)(=O)c2ccccc21)c1ccc2ccccc2n1 5572528 FFYQVUYTJFSVCA-AWEZNQCLSA-N 333.372 3.034 30 40 EGEB N#CCCN(C(=O)c1cc2ccccc2[nH]1)c1ccc2c(c1)OCCO2 69419161 RRVFKYFOEIKUBK-UHFFFAOYSA-N 347.374 3.500 30 40 EGEB N#Cc1ccc(S(=O)(=O)Nc2ccccc2O)c(C(F)(F)F)c1 97012545 GXYLZZNGQLAOPY-UHFFFAOYSA-N 342.298 3.083 30 40 EGEB Cc1ccc(C)n1-c1c(C(=O)OCC#Cc2ccccc2)cnn1C 75123365 APLUCZNVHSUMTR-UHFFFAOYSA-N 333.391 3.036 30 40 EGEB Cc1cccc(O)c1C(=O)NC1(c2cccc(C#N)c2)CCOCC1 600097013 CYVDWPYIIZZESR-UHFFFAOYSA-N 336.391 3.008 30 40 EGEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCc1cnn(-c2ccccc2)c1 24753471 QQYKWRAVLJGWFE-OAHLLOKOSA-N 347.374 3.255 30 40 EGEB N#Cc1ccccc1OS(=O)(=O)c1ccc(OC(F)(F)F)cc1 16093753 OJLUOXSMZKXSMN-UHFFFAOYSA-N 343.282 3.225 30 40 EGEB C[C@@H](Nc1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccccc1C#N 10770122 BVZCAGHVXKXCOU-CYBMUJFWSA-N 348.406 3.346 30 40 EGEB Cc1occc1C(=O)[C@@H](C#N)C(=O)CCC(=O)c1ccc(F)cc1F 103503125 YYWHSJORAADNQX-AWEZNQCLSA-N 345.301 3.421 30 40 EGEB CCCCCCCCCCNC(=O)CC(=O)N(CCC#N)CCC#N 100923896 JKGBGWAPVYCOLU-UHFFFAOYSA-N 348.491 3.289 30 40 EGEB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCCCCC4)[C@H]3[C@@H]3O[C@@]132 4028711 GNFFPCUYQGMTPA-KFYPDWBNSA-N 347.499 3.388 30 40 EGEB biogenic O=C(O)C/N=C(\S)N(Cc1ccco1)Cc1ccccc1Cl 8830014 CASBRYWQTUTDNJ-UHFFFAOYSA-N 338.816 3.306 30 40 EGEB COc1ccc(NC(=O)CSc2ccc(C#N)cc2)c([N+](=O)[O-])c1 65594619 QDMVGRFFCMRNGP-UHFFFAOYSA-N 343.364 3.206 30 40 EGEB COc1ccc(CCCC(=O)NCc2cccc(C#N)c2)cc1F 84523982 TWVXUXGJRCZUQY-UHFFFAOYSA-N 326.371 3.345 30 40 EGEB C[C@](O)(CC(=O)N[C@@H](C#N)c1cccc(Cl)c1)c1ccccc1 97059241 KAFCZLOYXOLNSE-WMZOPIPTSA-N 328.799 3.319 30 40 EGEB Cc1ccc(OCC(=O)NC2CCN(c3ccccc3C#N)CC2)cc1 72298075 ZJWMBYGRONLITE-UHFFFAOYSA-N 349.434 3.031 30 40 EGEB CN(Cc1nc2c(s1)CCCC2)C[C@H](O)c1ccc(C#N)cc1 89364900 GHXSDNTTWJVRSP-INIZCTEOSA-N 327.453 3.059 30 40 EGEB CC/N=C1\S/C(=C\c2cc(Cl)cc(OC)c2O)C(=O)N1CC 408852301 SCNQLLYPODKBJT-NCZJXCQMSA-N 340.832 3.366 30 40 EGEB CN1C(=O)c2ccccc2[C@@H](/C(O)=N/c2ncn[nH]2)[C@@H]1c1ccccc1 95474269 JUPHXOAVMVZLAO-CVEARBPZSA-N 347.378 3.003 30 40 EGEB C[C@@H](N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)C1CCOCC1 96477413 KBTIGMFQWMSQNV-RHSMWYFYSA-N 331.435 3.071 30 40 EGEB Cc1c(CNC[C@H](c2ccco2)N2CCCCC2)cc(C#N)n1C 48234822 VJVXTMKZRBOBSQ-GOSISDBHSA-N 326.444 3.115 30 40 EGEB CCOc1ccc(CC(=O)C2=C(N)CC(C)(C)CC2=O)cc1OCC 100147518 PAFQWQACOGFKHS-UHFFFAOYSA-N 345.439 3.198 30 40 EGEB CC(C)COC(=O)C[N+](C)(C)CCO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 100750562 ZCGXPPMGQSXPBJ-MBOZVWFJSA-N 340.528 3.493 30 40 EGEB biogenic O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1/N=C/c1cccc2ccccc12 100201121 KCWQNWPQOBZSRR-YLFJSWJOSA-N 342.398 3.227 30 40 EGEB N#Cc1cc(C(=O)N[C@@H](c2cccc(F)c2F)C(F)(F)F)c[nH]1 97372830 AOOGHFVAMMXGAQ-LBPRGKRZSA-N 329.228 3.198 30 40 EGEB CC[C@]12OC(=N)[C@](C#N)([C@H]1C)C(C#N)(C#N)[C@@H](c1ccc(C)cc1)O2 102720709 PSEFZTALOJAXRE-MDUILUSMSA-N 334.379 3.360 30 40 EGEB COC1=CC(=O)C2=C(C1=O)[C@]1(C)CCC[C@](C)(COC(C)=O)[C@H]1CC2 104080913 DZJPRQGFOUDQTE-NSISKUIASA-N 346.423 3.135 30 40 EGEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCc4ccccn4)[C@H]3C[C@@H]12 3999473 BFJNQCPSOZSEFY-GQUPQBGVSA-N 340.467 3.485 30 40 EGEB biogenic C#CCN(C(=O)c1cc(=O)[nH]c2cc(F)ccc12)C1CCCCC1 71916050 XMWVUKQVMSLCCQ-UHFFFAOYSA-N 326.371 3.075 30 40 EGEB COc1ccc([C@H]2CCCN2C(=O)COc2ccccc2C#N)cc1 14171602 ZOEGHXXGHCSFCV-GOSISDBHSA-N 336.391 3.309 30 40 EGEB O=C(/C=C/c1cnc(N2CCOCC2)nc1)c1ccc(F)c(Cl)c1 65606620 VVUJQUFIUWTRDL-DAFODLJHSA-N 347.777 3.002 30 40 EGEB N#CCC(=O)Nc1ccc(C(=O)OCc2cccc(F)c2F)cc1 16218267 GLFBDTJHILDWIE-UHFFFAOYSA-N 330.290 3.174 30 40 EGEB C[C@](C#N)(CCc1ccccc1)NC(=O)c1ccc2c(c1)OCCO2 69776127 HJXHPXQXDBWJCU-HXUWFJFHSA-N 336.391 3.103 30 40 EGEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)C2CC2)cc1 9897430 FEPWRLYAMJJUQU-CYBMUJFWSA-N 349.390 3.313 30 40 EGEB Cc1nc(-c2ncccn2)sc1C(=O)N(CC#N)Cc1ccccc1 56416265 ZQIUBKUQOOCHBN-UHFFFAOYSA-N 349.419 3.075 30 40 EGEB Cc1cccc(NC(=O)CSCC(=O)Nc2sccc2C#N)c1 12871847 FJJVFYCLOBLBPL-UHFFFAOYSA-N 345.449 3.239 30 40 EGEB Cc1cc(C)cc(O[C@H](C)c2ccnc3nc(/N=C/N(C)C)nn23)c1 18045587 HISMRUWQMRIUPQ-XLTHYULKSA-N 338.415 3.103 30 40 EGEB C[C@@H]1CC(=O)C2=C(C1)Nc1nc(C(F)(F)F)nn1[C@@H]2c1ccco1 19959792 VIKLVZCYIYKGLL-JVXZTZIISA-N 338.289 3.158 30 40 EGEB C=CCNC(=O)CSc1nnc(Nc2ccc(CC)cc2)s1 3461263 JBAXVJJFOLESGQ-UHFFFAOYSA-N 334.470 3.238 30 40 EGEB COc1ccc2c(c1)C[C@H](C(=O)Nc1ccc(Cl)cc1)/C(=N/O)O2 101278569 FQKODFGIEPSNKT-LVHCJKAXSA-N 346.770 3.326 30 40 EGEB COc1cc(/N=C(\O)NCc2ccc(F)c(C)c2)cc(OC)c1OC 40525573 XQXSORWQVPLZFX-UHFFFAOYSA-N 348.374 3.495 30 40 EGEB C=CCN(C(=O)Cc1c(C)nn(C)c1C)c1nc2ccccc2s1 32865634 GOXZPEZEIVMGDL-UHFFFAOYSA-N 340.452 3.408 30 40 EGEB Cc1ccc(/C(N)=N\O[C@H](C)C(=O)Nc2c(C)cccc2C)cc1 52796024 QADZIBDNKKYYKD-OAHLLOKOSA-N 325.412 3.276 30 40 EGEB C[C@@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccccn1)c1ccc(F)cc1 103717461 PNMKKOHWQDTUTQ-SWLSCSKDSA-N 325.343 3.062 30 40 EGEB CCOc1cccc(NC(=O)O[C@H]2C[C@H]3C[C@@H]2[C@H]2C[C@H]4O[C@@H]4[C@H]32)c1 101019084 TTWBJLXTVXWETO-UPHYFEFTSA-N 329.396 3.446 30 40 EGEB NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1Cc1ccco1 13548437 FBNLMICNZBAPPK-UHFFFAOYSA-N 337.404 3.115 30 40 EGEB N#Cc1ccsc1NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 6509473 LIAZQEYCYPPDGK-HNNXBMFYSA-N 328.393 3.430 30 40 EGEB C=CCOc1ccc(CNC2CCN(C(=O)C3CC3)CC2)cc1Cl 66971540 NVTXQKCXOOHVCM-UHFFFAOYSA-N 348.874 3.395 30 40 EGEB N#CCCN(C(=O)Nc1cccc(NC(=O)c2ccoc2)c1)C1CC1 71920245 XFZKDCKNEXNSKI-UHFFFAOYSA-N 338.367 3.442 30 40 EGEB CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H](C)C1CCN(C)CC1 72289435 KINDUHRZXVPYLB-AWEZNQCLSA-N 344.459 3.197 30 40 EGEB N#Cc1ccc(CN2CCC(NC[C@H](O)C3CCCCC3)CC2)cc1 95987875 FBCILMCQMDXPAI-NRFANRHFSA-N 341.499 3.053 30 40 EGEB CC(C)c1nc(CO/N=C(/N)c2ccc(Br)o2)cs1 95963275 HLMKISRBFRRIFV-UHFFFAOYSA-N 344.234 3.459 30 40 EGEB CCN(C)C[C@H]1CCN(C(=O)Nc2cc(C#N)ccc2SC)C1 95963837 MIBILDJYSCOVOA-CQSZACIVSA-N 332.473 3.086 30 40 EGEB C=CCN1C(=O)N/C(=C/c2ccc(OCc3ccccc3)cc2)C1=O 409129887 LBXARSJXOXTLAV-QGOAFFKASA-N 334.375 3.344 30 40 EGEB CCOC[C@]1(C#N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1 218034347 OVXFXDWJOZMFPC-FHWLQOOXSA-N 341.432 3.173 30 40 EGEB C[C@H](c1ccc(F)cc1)N(C)C(=O)CSc1cc(C#N)ccn1 77908135 DKQBXAVVJLERKF-GFCCVEGCSA-N 329.400 3.404 30 40 EGEB N#Cc1cc(N)c(Cc2ccccc2)n1CC(=O)Nc1ccccc1 225859768 NMQPWMOWQVTXEW-UHFFFAOYSA-N 330.391 3.171 30 40 EGEB Cc1cc(C)cc([C@H](O)C/N=C(/O)Nc2ccc3c(c2)COC3)c1 330032773 RSGLKFNILHTVFC-GOSISDBHSA-N 326.396 3.393 30 40 EGEB C/N=C(/NCc1csc(C(C)C)n1)N(C)CCC1CCOCC1 97229963 TVFUFITZAVRUMY-UHFFFAOYSA-N 338.521 3.090 30 40 EGEB CC(C)(C)OC(=O)N1CCC(COc2ccc(C=O)cc2C#N)CC1 575423477 NPZXIFWRIVZBBV-UHFFFAOYSA-N 344.411 3.397 30 40 EGEB C#CCN1C(=O)S/C(=C/c2ccc(-c3ccc(C#N)cc3)o2)C1=O 6312103 UFZQFTVORKHJRT-MHWRWJLKSA-N 334.356 3.488 30 40 EGEB N#Cc1cc2c(nc1N1CCC(c3nnc(C4CC4)o3)CC1)CCC2 2086861106 IEIVCJPAHJQPKQ-UHFFFAOYSA-N 335.411 3.086 30 40 EGEB CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)Nc2sc3c(c2C#N)CCC3)C1 213890 GNXSJHRLGPQJHL-QWHCGFSZSA-N 344.436 3.494 30 40 EGEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1ccc(Cl)c(Cl)c1 409407546 MMSMRAIFSBCRCT-TXFQPVFDSA-N 335.190 3.134 30 40 EGEB C=CCOc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1 8991125 FANOEWKNHRDCRL-SFHVURJKSA-N 340.423 3.411 30 40 EGEB COc1ccccc1[C@H](C#N)NC(=O)COc1ccc(F)cc1Cl 65552686 WKYWYESWWKLQEH-AWEZNQCLSA-N 348.761 3.248 30 40 EGEB COC(=O)c1cn(CC(=O)OCc2ccc(C#N)cc2)c2ccccc12 6831083 NEMUPFYPNUYSQN-UHFFFAOYSA-N 348.358 3.043 30 40 EGEB CCCC(CCC)C(=O)Nc1c(C#N)cnn1-c1nc(C)cc(C)n1 8570274 YPOOGJFRPOJXFL-UHFFFAOYSA-N 340.431 3.306 30 40 EGEB N#Cc1ccc(CN2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc1 18175751 VUORLDKXVTWHME-UHFFFAOYSA-N 338.386 3.047 30 40 EGEB N#Cc1ccc([C@H](O)Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)cc1 97085578 FHIOSYMNNPYUSP-GOSISDBHSA-N 334.335 3.064 30 40 EGEB CC(C)(C)n1cc(C#N)cc1NC(=O)c1ccc2c(c1)COCO2 84325782 SJSKRVOMJTUSHB-UHFFFAOYSA-N 325.368 3.234 30 40 EGEB COc1cc(/C=N\c2ccc([N+](=O)[O-])cc2)ccc1O[C@@H](C)C(=O)O 409016496 CUMPSRIHCHOQME-TZQXVGBESA-N 344.323 3.206 30 40 EGEB C=CCNC(=O)c1ccccc1NC(=O)CSCc1ccccc1 409135756 ZVMFZKXVSOQBQA-UHFFFAOYSA-N 340.448 3.474 30 40 EGEB C#CCOC(=O)/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 226257003 VZIWQWRQJORNQZ-RMKNXTFCSA-N 327.292 3.053 30 40 EGEB COc1cccc(/C=N\n2c(-c3ccccc3)n[nH]c2=S)c1O 1299439 JPPLAWRMOSLQFA-YVLHZVERSA-N 326.381 3.204 30 40 EGEB COc1cc(/C=N\N=C/c2cc(OC)cc(OC)c2)cc(OC)c1 17023928 JIZDVSMSMPJBHE-YZLQMOBTSA-N 328.368 3.174 30 40 EGEB CCOC(=O)/C(OC(C)=O)=C1/C=C(C(=O)c2ccccc2)CCC1 1596050 PUTYHJQYTJSBHY-VLGSPTGOSA-N 328.364 3.360 30 40 EGEB C[C@]1([N+](=O)[O-])C(=O)[C@@]2(N3CCCC3)CCC[C@H]2[C@@H]1c1ccccc1 1608392 KSSSPCFEKYTAQE-RNIPGJKVSA-N 328.412 3.023 30 40 EGEB C=CCSc1nnc(NC(=O)CCc2ccc(OC)cc2)s1 7594224 QBOJQACPRCBNGE-UHFFFAOYSA-N 335.454 3.396 30 40 EGEB Cc1cccc(OC/C(O)=N/c2nc(C)nn2-c2ccc(C#N)cc2)c1 71916422 LRIVAQLVEYZBAS-UHFFFAOYSA-N 347.378 3.423 30 40 EGEB C[C@H](Oc1ccccc1Br)C(=O)N(CCC#N)C1CC1 71916124 HIXPHZLVMLTIGG-NSHDSACASA-N 337.217 3.121 30 40 EGEB CC1=CC(=O)[C@@H](C(=O)/C=C/c2cccc(Cl)c2Cl)C(=O)O1 3543693 HBMSTBYEEFSHPA-URWSZGRFSA-N 325.147 3.222 30 40 EGEB C[C@H]1CN(c2ccccc2NC(=O)N[C@@H]2CCC[C@@H]2C#N)C[C@@H](C)O1 96004111 POBOQUQRPIILEY-QKPAOTATSA-N 342.443 3.114 30 40 EGEB C=CCSc1nnc(NC(=O)c2cnc3ccccc3n2)s1 7213632 DXFMOQQCSAMJPK-UHFFFAOYSA-N 329.410 3.012 30 40 EGEB CC[C@H](CC#N)NC(=O)Nc1cc(N2CCCC2=O)ccc1Cl 97163253 INLFDIDBACLHJC-LLVKDONJSA-N 334.807 3.281 30 40 EGEB C[C@H](CS(=O)(=O)Nc1nn(C(C)(C)C)cc1C#N)c1ccccc1 89642851 OBZIOMTUFFMIQM-CYBMUJFWSA-N 346.456 3.055 30 40 EGEB COC[C@@]1(C#N)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218044987 RUEZDNIUIFOANR-QYZOEREBSA-N 341.432 3.091 30 40 EGEB C[C@@H]1C[C@@H](c2ccsc2)CN1S(=O)(=O)Cc1cccc(C#N)c1 96421283 LQILCPPQPNVGNK-CXAGYDPISA-N 346.477 3.328 30 40 EGEB C#CCN(Cc1cccnc1)C(=O)N[C@H](CC)c1ncc(C)s1 76018640 GFLOQSHEPJIEBI-OAHLLOKOSA-N 328.441 3.143 30 40 EGEB COc1ccc(/C=C2\Oc3cc(OC(C)=O)ccc3C2=O)cc1OC 12662280 OYUQHQKHGRCPQT-NVMNQCDNSA-N 340.331 3.245 30 40 EGEB biogenic COc1ccc(/C=N/OCc2nnc(-c3ccc(F)cc3)o2)cc1 5459977 RGJVUVZEAQMRDZ-VXLYETTFSA-N 327.315 3.435 30 40 EGEB C#CCOc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2cccnc2)cc1 40287940 KLXUVTDPIUKRQH-KRWDZBQOSA-N 344.374 3.403 30 40 EGEB COc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2c2ccc(F)cc2)cc1 273549 KAHAVDPIYHSQCH-QGZVFWFLSA-N 341.338 3.323 30 40 EGEB CC(C)(C)N1CCN(C(C)(C)C)C1=NC(=O)C(Cl)(Cl)Cl 320428 WGGCKZTYTNLMOQ-UHFFFAOYSA-N 342.698 3.454 30 40 EGEB N#Cc1c(NC(=S)NC(=O)c2cccc(F)c2)sc2c1CCC2 570036 SXGOFBZFPAPBLM-UHFFFAOYSA-N 345.424 3.374 30 40 EGEB N#Cc1ccc(OCCOC(=O)c2ccc(Br)o2)cc1 10803348 MKSHQQPONKSPAL-UHFFFAOYSA-N 336.141 3.150 30 40 EGEB C#CCOc1c(Cl)cc(C(=S)N2CCOCC2)cc1Cl 107558377 GZDUUHONAMZXNG-UHFFFAOYSA-N 330.236 3.013 30 40 EGEB COC(=O)c1ccc(C(=O)[C@H](C#N)C(=O)c2ccc(C)s2)cc1 102763713 CGZQWERCNCIPOB-ZDUSSCGKSA-N 327.361 3.049 30 40 EGEB COc1ccc(S(=O)(=O)Nc2ccc(CC#N)cc2)c(C)c1C 117227939 PSNWREICUGETRU-UHFFFAOYSA-N 330.409 3.179 30 40 EGEB C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@@H](CN3CCCCCC3)C(=O)O[C@@H]1C2 4028421 ZSUPEDHHNCWLCU-DOVHUEEUSA-N 347.499 3.389 30 40 EGEB biogenic COc1ccc(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)cc1 65627073 LEEDNGOKWYJTEZ-UHFFFAOYSA-N 338.363 3.027 30 40 EGEB CO/N=C/C(C(=O)Nc1cccc(C)c1)C(=O)Nc1cccc(C)c1 5418587 PPVKCVLCEDLRBD-UDWIEESQSA-N 339.395 3.129 30 40 EGEB C=CCN1C(=O)S[C@H](CC(=O)Nc2cccc3ccccc23)C1=O 4785179 DMTDWSVAZWBGRH-OAHLLOKOSA-N 340.404 3.418 30 40 EGEB N#C[C@H](NC(=O)[C@H]1CC(=O)Nc2ccccc21)c1cccc(Cl)c1 69892915 BPYYXSRIVFOOMN-HOCLYGCPSA-N 339.782 3.147 30 40 EGEB CCOc1ccccc1COC(=O)[C@H](C)Oc1ccc(C#N)cc1 24810299 NYWYVLNSRSAJDH-AWEZNQCLSA-N 325.364 3.468 30 40 EGEB Oc1ccc(/C=N\c2ccccc2O)cc1I 408963712 OQIKOLJCVJQIQG-NVNXTCNLSA-N 339.132 3.453 30 40 EGEB COC(C)(C)CCOc1c(N)cc(C#N)n1Cc1cccc(F)c1 225878344 GSWZZZUBELQXSW-UHFFFAOYSA-N 331.391 3.323 30 40 EGEB O=S(=O)(/N=C(\O)[C@H]1SCCc2ccccc21)C1CCCC1 86056595 NAKFOHWKHNHINN-AWEZNQCLSA-N 325.455 3.246 30 40 EGEB C/C(=N\OCc1ccc2c(c1)OCCO2)c1ccc2c(c1)CCO2 98055575 FFNNECHHODYKRZ-DEDYPNTBSA-N 325.364 3.334 30 40 EGEB N#CCCN(Cc1ccc(Br)c(F)c1)C[C@@H]1CCOC1 95407293 JJXABUNATOZOSS-ZDUSSCGKSA-N 341.224 3.340 30 40 EGEB CS(=O)(=O)N(Cc1cccc2cccnc12)c1cccc(C#N)c1 23617503 CNHLOVVBSKMKJC-UHFFFAOYSA-N 337.404 3.073 30 40 EGEB C#CC(C)(C)OC(=O)CCCC(=O)Nc1nc2ccccc2s1 2491451 GLEMXTXVZGUROH-UHFFFAOYSA-N 330.409 3.360 30 40 EGEB Cc1cc(=O)[nH]c(SCC(=O)C23CC4CC(CC(C4)C2)C3)c1C#N 8619748 LVAKNKPEHFLBQK-UHFFFAOYSA-N 342.464 3.433 30 40 EGEB COc1cc(C#N)ccc1OCC(=O)N[C@H](c1ccccc1)C1CC1 21618157 DQZGSMFUSORWKD-HXUWFJFHSA-N 336.391 3.213 30 40 EGEB CC(=O)Nc1cccc2c1CCN(c1snc(Cl)c1C#N)C2 54125455 QIDDTELKUXIIIA-UHFFFAOYSA-N 332.816 3.189 30 40 EGEB C=CCCO[C@H](C)C(=O)N(Cc1ccco1)Cc1ccccc1O 71914174 YTPQSXVUFMSECQ-OAHLLOKOSA-N 329.396 3.495 30 40 EGEB CC(C)c1ccc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 12873396 USJRBXULTDGILU-UHFFFAOYSA-N 334.423 3.039 30 40 EGEB C=CCSCC(=O)NCC1(c2ccccc2Cl)CCOCC1 69919712 OPCNCUFQCANXOT-UHFFFAOYSA-N 339.888 3.424 30 40 EGEB C#CC(CC)(CC)NC(=O)CSc1nnc(-c2ccc(F)cc2)o1 8735097 QPVZEKHSFRRXGK-UHFFFAOYSA-N 347.415 3.276 30 40 EGEB CCc1nc([C@@H]2CCCN2c2nc(C(F)(F)F)ccc2C#N)no1 72286172 HHVKPPKZVANWDF-JTQLQIEISA-N 337.305 3.259 30 40 EGEB C#CCOc1ccc(NC(=O)N(CCC#N)Cc2ccccn2)cc1 89261864 VUSLMTPKKQSDCT-UHFFFAOYSA-N 334.379 3.041 30 40 EGEB Cc1ccccc1[C@@H]1CN(C(=O)Cc2ccc(C#N)cc2)[C@H](C)CO1 174389056 WPARXJDAJFNLLQ-UZLBHIALSA-N 334.419 3.398 30 40 EGEB CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)ON=C3C)o2)cc1 34772043 ZIABJLBLSGZCSV-GDNBJRDFSA-N 325.320 3.439 30 40 EGEB CS(=O)(=O)/N=C(\O)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 78988946 RZCGBGKHWVBTRS-DLBZAZTESA-N 345.420 3.285 30 40 EGEB O=C(Cc1ccc(-c2ccccc2)cc1)NCC#CCN1CCCC1 75164637 VMTRFQUJSZNLJX-UHFFFAOYSA-N 332.447 3.112 30 40 EGEB CC(C)Cc1nn(Cc2ccc(Br)cc2)c(N)c1C#N 225843200 UHWMXQDLLBYWLY-UHFFFAOYSA-N 333.233 3.346 30 40 EGEB C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1C(=O)NCC[C@H]1C 194161151 ICKJWWZIEWEVCK-CJNGLKHVSA-N 329.444 3.185 30 40 EGEB C=CCN1C(=O)CCC[C@]12CCCN(C(=O)c1ccc(C)cc1)C2 96077087 KUGNMEMILRCASH-HXUWFJFHSA-N 326.440 3.168 30 40 EGEB C/N=C(\NCc1ccoc1)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 246134457 FOJDBEWLYUFYCK-DOTOQJQBSA-N 346.500 3.089 30 40 EGEB Cc1ccc(NC(=O)C2CCN(Cc3ccc(C#N)cc3)CC2)nc1 58157487 UUHOKAHUUNFZCO-UHFFFAOYSA-N 334.423 3.112 30 40 EGEB S=C(NCc1ccccc1)N/N=C/c1cc2c(cc1Cl)OCO2 5773454 KQLNQHZWQXEHOY-DJKKODMXSA-N 347.827 3.067 30 40 EGEB C=CCn1c(N2CCC(C(=O)NCC(C)C)CC2)nc2ccccc21 12116470 SKBFITSNFMGFIX-UHFFFAOYSA-N 340.471 3.211 30 40 EGEB COCC/N=C(\S)N/N=C(\C)c1ccc2cc(OC)ccc2c1 8691223 ZPNVGJSOFAGSBR-XDHOZWIPSA-N 331.441 3.094 30 40 EGEB Cc1cccc(NC(=S)N/N=C/c2ccccc2C(=O)O)c1C 13337914 CLTQFGDPCPDVKG-VCHYOVAHSA-N 327.409 3.322 30 40 EGEB N#CC1(C#N)[C@H]2CCCC[C@]23OC(=N)[C@@]1(C#N)[C@H](c1cccs1)O3 4558397 BVAZBPHICLDVKX-GFOFROLCSA-N 338.392 3.257 30 40 EGEB Cc1ccccc1C(=O)OCC(=O)Nc1sc2c(c1C#N)CCC2 2549593 VKBWNMYPWHNRMQ-UHFFFAOYSA-N 340.404 3.212 30 40 EGEB C[C@@H]1CCCC[C@@H]1NC(=O)CO/N=C/c1ccccc1OC(F)F 3319450 WPSYKOVAFMWVCN-BSMREUMHSA-N 340.370 3.333 30 40 EGEB C/C(=N\Nc1nnc2c(n1)[nH]c1c(C)cccc12)c1ccccc1O 4380344 XBKQPCQEMNBCRP-SRZZPIQSSA-N 332.367 3.356 30 40 EGEB N#CCCn1ncc2c(N[C@H]3CCSc4ccccc43)ncnc21 65520139 QVOUPJIYPMZLKT-AWEZNQCLSA-N 336.424 3.389 30 40 EGEB CN(C(=O)CSCC(=O)Nc1cccc(C#N)c1)C1CCCCC1 7265445 NZHVZWQIACMWLL-UHFFFAOYSA-N 345.468 3.021 30 40 EGEB N#CCC(=O)Nc1ccccc1NC(=O)c1ccc2ccccc2n1 225397271 GQWXIZHMDXKGPR-UHFFFAOYSA-N 330.347 3.339 30 40 EGEB C[C@H](Oc1ccn(-c2ccccc2)n1)C(=O)Nc1cccc(C#N)c1 227158733 JIVVCWCQDIFFDG-AWEZNQCLSA-N 332.363 3.150 30 40 EGEB N#Cc1ccc(OCCCNc2ccc(C(N)=O)c(Cl)c2)cc1 55836716 RVDIHABOJPQJDD-UHFFFAOYSA-N 329.787 3.192 30 40 EGEB Cc1ccc(-n2c(C)cc(/C=N/n3c(C)nnc3S)c2C)cc1 8123879 QTLVRADKOPNYSU-VCHYOVAHSA-N 325.441 3.473 30 40 EGEB COc1ccc(-c2nnc(S)n2/N=C\c2ccccc2OC)cc1 4459012 HBTRIYCVCVUPAQ-WQRHYEAKSA-N 340.408 3.133 30 40 EGEB N#Cc1ccnc(OCC2CCN(c3nc4ccccc4o3)CC2)c1 1888890240 PTWOXMKYQVTXKM-UHFFFAOYSA-N 334.379 3.390 30 40 EGEB COc1cccc(/C=C2\Oc3c(CN(C)C)c(O)cc(C)c3C2=O)c1 20591674 PSGSGLGAGBSKLL-YVLHZVERSA-N 339.391 3.387 30 40 EGEB Cc1cccc(C(C)C)c1NC(=O)Cn1c(C)cc(C)c(C#N)c1=O 32743479 NYGVBDITUBJISB-UHFFFAOYSA-N 337.423 3.407 30 40 EGEB Cc1nn(-c2ccccc2)c(CSc2nnc3ccccn23)c1C#N 18474283 YHKVAYMCJDHBPG-UHFFFAOYSA-N 346.419 3.387 30 40 EGEB Cc1c(CNCc2ccc(N3CCC(C)CC3)nc2)cc(C#N)n1C 78485777 YABNUHCSMXYFRM-UHFFFAOYSA-N 337.471 3.126 30 40 EGEB N#C[C@H](C(=O)/C=C/c1cccc(Cl)c1)C(=O)NCc1ccccc1 103503552 WASNCOHTEWYAQO-OAGJVSPASA-N 338.794 3.378 30 40 EGEB N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cnccn2)cc1 47192580 FHTMOYGWTLUYBV-UHFFFAOYSA-N 346.365 3.330 30 40 EGEB N#Cc1c(N)sc2c1CCN(c1ncnc3c1oc1ccccc13)C2 22015712 AVKIWLCIFIXATI-UHFFFAOYSA-N 347.403 3.454 30 40 EGEB CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1c1nc(C#N)c(N2CCOCC2)o1 8915977 LJMPDXBGTWWXJV-BXKDBHETSA-N 342.226 3.441 30 40 EGEB COc1cc(OC)c(OC)cc1/C=C1/COc2ccccc2C1=O 96767383 RSGLWUKFFLKRJQ-JYRVWZFOSA-N 326.348 3.371 30 40 EGEB N#Cc1cc(C(=O)c2cc(F)ccc2O)cn(C2CCCCC2)c1=O 3887449 BVDGRCYHTPIYLX-UHFFFAOYSA-N 340.354 3.301 30 40 EGEB O=C(C[C@H]1S/C(=N\c2ccccc2)NC1=O)Nc1ccccc1F 6473722 HBVHOQOZTDXNDV-CQSZACIVSA-N 343.383 3.074 30 40 EGEB N#Cc1ccc(N2CCC[C@@H]2c2nnc3n2CCCCC3)c(F)c1 69569523 RMPKZFHERKOPIR-MRXNPFEDSA-N 325.391 3.357 30 40 EGEB N#Cc1cccc(OCCCCC(=O)N2CCO[C@@H]3CCCC[C@H]32)c1 71894068 BOWMVZHCUZIGFA-RTBURBONSA-N 342.439 3.277 30 40 EGEB Cc1nn(C)c(Cl)c1[C@@H]1CCCN1C(=O)c1cccc(C#N)c1 75602183 JIGUBGKYZVZFSC-AWEZNQCLSA-N 328.803 3.231 30 40 EGEB CC1=NOC(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 408941956 QDZXANIIONRADQ-LICLKQGHSA-N 338.319 3.490 30 40 EGEB CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1cc2ccccc2s1 6605730 AOSQFKCEKTXUPG-QGZVFWFLSA-N 330.409 3.113 30 40 EGEB C#CCOc1cccc(CN2C[C@H]3C(c4ccc(C)cc4)=NO[C@H]3C2)c1 72343271 MYEGPJTXVIVWPW-RTWAWAEBSA-N 346.430 3.242 30 40 EGEB C=CCN(c1ccc(F)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225027304 GSWAGKBCKJGNLT-UHFFFAOYSA-N 336.344 3.115 30 40 EGEB Cc1nc(-c2ccco2)cc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1 1615585590 JKWIYORSKNHFQV-LJQANCHMSA-N 346.390 3.495 30 40 EGEB COc1ccc(/C=N/n2cnnc2SCc2c(C)noc2C)cc1 5234155 DLDUXDUEDABWAX-QGMBQPNBSA-N 343.412 3.066 30 40 EGEB C/C(=N/N=C/N(C)S(=O)(=O)c1ccc(C)cc1)c1ccccc1 17131208 YYILCYXIUSOBQQ-BUFWFCRBSA-N 329.425 3.068 30 40 EGEB Cc1ccc(C(=O)[C@@H](C#N)C(=O)[C@@H]2COc3ccccc3C2)s1 100871545 IZZWLDZUOFBECB-KBPBESRZSA-N 325.389 3.199 30 40 EGEB CN1CCc2c(sc(NC(=S)Nc3ccccc3)c2C#N)C1 156000 NDGGQIWRKFVKHC-UHFFFAOYSA-N 328.466 3.417 30 40 EGEB N#CCSCC(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 56275112 GZXBHTNCFDPHOR-GFCCVEGCSA-N 340.832 3.093 30 40 EGEB COC(=O)c1cccc(N/C=C/C(=O)c2ccc3c(c2)OCO3)c1 44842548 RPZNCHPTBPXVGJ-BQYQJAHWSA-N 325.320 3.010 30 40 EGEB CCOC(=O)COc1ccc(/C=N/NCc2ccc(Cl)cc2)cc1 10118715 HUQWDPRICUCIJY-CIAFOILYSA-N 346.814 3.406 30 40 EGEB C[C@@]12[C@H]3O[C@@H]4CC[C@H]5[C@H]4[C@@H]1[C@@H]1[C@H]4[C@@H]2[C@@H]2CC[C@@H](O3)[C@@H]2[C@@H]4[C@@](C)(C=O)[C@@H]51 104294689 GLLJQNVYACDGFA-CUSQBERMSA-N 340.463 3.126 30 40 EGEB Cc1nnc(NC[C@H](c2ccccc2Cl)N(C)C)c(C#N)c1C 24053999 WIEHDGVKSAWMRZ-MRXNPFEDSA-N 329.835 3.333 30 40 EGEB C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)OCCCO2 6647275 BDCPNWMPJBFVKS-ZDUSSCGKSA-N 338.363 3.126 30 40 EGEB Cc1cccc(/C(N)=N/OC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1 4723526 XMMGIRDREZNWKL-GFCCVEGCSA-N 332.787 3.279 30 40 EGEB O=C1/C(=N\Nc2cccc(Br)c2)[C@@H](O)c2ccccc21 408720387 MMNADTAMGLXPAH-RVAQLADHSA-N 331.169 3.147 30 40 EGEB C=CCN(Cc1coc(-c2ccccc2)n1)S(=O)(=O)C(C)(C)C 90991433 OPYXFVICFDWGOE-UHFFFAOYSA-N 334.441 3.458 30 40 EGEB N#Cc1ccc(CNC(=O)Nc2ccc3c(c2)OCCCO3)c(F)c1 69626217 PKZCVOONTNJHTC-UHFFFAOYSA-N 341.342 3.180 30 40 EGEB CCCO[C@](C)(CCC)C(=O)Nc1ccc(OC(C)=O)c(C#N)c1 225843991 VSZWGTPCGMFPHQ-GOSISDBHSA-N 332.400 3.407 30 40 EGEB C=C(Br)CNc1ncnc2c1cnn2-c1ccccc1 49281955 JCJYJTPMWQRUIU-UHFFFAOYSA-N 330.189 3.136 30 40 EGEB COc1ccsc1C(=O)NC1CCN(c2ccc(C#N)cc2)CC1 96404523 AZVIUZAULJBERQ-UHFFFAOYSA-N 341.436 3.027 30 40 EGEB C#CCOc1cccc(CN(C)Cc2nnc(-c3ccccc3)o2)c1 13995784 YOZSXBZDACNFPM-UHFFFAOYSA-N 333.391 3.381 30 40 EGEB Cc1cc(Cl)cc2c1NC(=O)/C2=N\Nc1ccccc1[N+](=O)[O-] 16916677 WBPIOKKTHKZISN-UHFFFAOYSA-N 330.731 3.325 30 40 EGEB Cc1cccc2cc(C#N)c(SCC(=O)NCc3ccco3)nc12 421665 MGKMKEUXKRCQBH-UHFFFAOYSA-N 337.404 3.416 30 40 EGEB CCOCCC/N=C1/SC[C@@H](CC)N1C(=O)c1ccc(C#N)cc1 103460021 WODDQFAJINQIJI-IGGDJGDASA-N 345.468 3.308 30 40 EGEB CC[C@H](C)NC(=O)CO/N=C(\C)c1nc2ccccc2n1C(F)F 22322439 ISKGYAFVWGYWHW-XQBNQRJZSA-N 338.358 3.087 30 40 EGEB C=CCN1C(=O)/C(=C\c2c(F)cccc2Cl)C(C(=O)OC)=C1C 2814147 BPNMUSFQALQMEK-XFXZXTDPSA-N 335.762 3.338 30 40 EGEB CCOc1cccc(NC(=O)O[C@H]2C[C@@H]3C[C@@H]2[C@H]2C[C@H]4O[C@@H]4[C@H]32)c1 101019080 TTWBJLXTVXWETO-YZDCHYKCSA-N 329.396 3.446 30 40 EGEB N#Cc1ccc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 25839133 BNNJZYDWFGHPRI-UHFFFAOYSA-N 330.391 3.454 30 40 EGEB CCN(CC)c1ccc(/N=C2/C[C@@H](C(N)=O)C(=O)c3ccccc32)cc1 100998471 ZSJITOYWEZBMKI-GREXYARLSA-N 349.434 3.342 30 40 EGEB CC(=O)Nc1ccc(F)c(C(=O)[C@@H](C#N)c2nc3ccccc3o2)c1 60043335 GJDIBMHVQZXVJV-CYBMUJFWSA-N 337.310 3.415 30 40 EGEB CCc1ccc(NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)cc1 66239594 QLGXOZOJYAYSJQ-UHFFFAOYSA-N 331.379 3.141 30 40 EGEB CC(C)c1nccn1CCC(=O)N[C@@H](C#N)c1ccc(F)cc1F 73426103 STNFICGPIKOFLO-HNNXBMFYSA-N 332.354 3.056 30 40 EGEB Oc1cccc(/N=C\c2ccc(O)c(I)c2)c1 408904541 LDVSUFQNJQUHDF-NVNXTCNLSA-N 339.132 3.453 30 40 EGEB CCc1nnc([C@H]2C(=N)S/C(=C\c3ccccc3O)C2=O)s1 33634926 YGZWDHLKBABPTM-RKMYABCYSA-N 331.422 3.224 30 40 EGEB C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)[C@H](c2ccco2)C1 127084934 PEVYMOJVJYXUER-CJNGLKHVSA-N 337.379 3.090 30 40 EGEB CC(C)N(Cc1ccc(C#N)cc1)C(=O)CCN(C)c1ccncc1 542787077 QCUQOGVBBAMYAU-UHFFFAOYSA-N 336.439 3.217 30 40 EGEB N#C[C@H](C(=O)Nc1ccccc1)C(=O)c1coc(Br)c1 128203066 QJVZVMXHFLNXNX-NSHDSACASA-N 333.141 3.003 30 40 EGEB COC1(C(=O)Nc2ccc(OC(C)=O)cc2C#N)CCC(C)CC1 225811223 VQIMICZTFGFXEK-UHFFFAOYSA-N 330.384 3.017 30 40 EGEB CN1CC[C@@H](CNc2nccnc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 97022647 NDCYBQIRXPAXDO-LRDDRELGSA-N 345.809 3.246 30 40 EGEB N#Cc1c(F)cccc1NCCCC1(C2OCCO2)CCOCC1 95401382 OVJCATLWJHYMNP-UHFFFAOYSA-N 334.391 3.059 30 40 EGEB Cc1cncc(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)ccc2C)c1 101715040 WISSOVSPQSIXGI-CQSZACIVSA-N 327.771 3.313 30 40 EGEB CCOC(=O)c1cc(-c2coc(/C=N\n3cnnc3)c2)ccc1Cl 33999 LAFUVDYEKIRMBD-SCDVKCJHSA-N 344.758 3.250 30 40 EGEB Cc1cc(S[C@H](C)C(=O)N(C)C)n2c(nc3ccccc32)c1C#N 6930439 GHRWCZKYGYIDSA-GFCCVEGCSA-N 338.436 3.236 30 40 EGEB Cc1cc(N2CCC(C#N)(c3ccccc3)CC2)n2nc(C)cc2n1 1888929015 ISXNBANRHCILKO-UHFFFAOYSA-N 331.423 3.408 30 40 EGEB Oc1ccc(Br)cc1/C=N\Nc1nc2ccccc2[nH]1 12341097 QVZBZEXZDHJZAW-PXNMLYILSA-N 331.173 3.477 30 40 EGEB CCc1cc(NC(=O)c2ccc(COc3ccccc3C#N)o2)[nH]n1 71830821 IUYPYTSYQWLGOY-UHFFFAOYSA-N 336.351 3.268 30 40 EGEB CCCCOc1ccc([C@@H]2C(C(C)=O)=C(C)Nc3ncnn32)cc1 4342110 HAKWZEOGDQLIGH-QGZVFWFLSA-N 326.400 3.335 30 40 EGEB N#C[C@@H](C(=O)Cc1ccc(Cl)cc1Cl)C(=O)Nc1ccccn1 104055936 OTWSBJFFGSSMPV-LBPRGKRZSA-N 348.189 3.278 30 40 EGEB Cc1noc(C)c1CN(C)C(=O)c1c(C)oc(-n2cccc2)c1C#N 47644262 CMTJJLGNAFNCAJ-UHFFFAOYSA-N 338.367 3.127 30 40 EGEB CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)c1ccc(C#N)cc1 58280006 XEEVTOPQDRRISR-MRXNPFEDSA-N 343.427 3.078 30 40 EGEB C#CCSc1nc(-c2ccccc2)n(C(=O)c2cccs2)n1 2571091 ZAOIVHKLZDTZIK-UHFFFAOYSA-N 325.418 3.420 30 40 EGEB COc1ccc(CC(=O)Nc2ccc(C#N)c(Cl)c2)cc1OC 5720766 UZLAMIZUQPUAFW-UHFFFAOYSA-N 330.771 3.410 30 40 EGEB Cn1cc(Nc2cccc(C(=O)N[C@@H](C#N)c3ccccc3F)c2)cn1 90525339 ARZOZEUNBKLZEW-SFHVURJKSA-N 349.369 3.297 30 40 EGEB CSc1nc(O)c(C(=O)N(C)[C@H](C)Cc2ccsc2)cc1C#N 81805096 UDTUQJUNIVBGBO-SNVBAGLBSA-N 347.465 3.145 30 40 EGEB Cc1cccc(C)c1NC(=O)CN(C)C(=O)/C=C/c1ccc(C#N)cc1 8312336 LCEPVEOQUUMNKX-VAWYXSNFSA-N 347.418 3.285 30 40 EGEB N#C[C@@H](C(=O)CN1CCCCCCC1=O)c1nc2ccccc2s1 69702451 LJFLOZUQQCFLJU-ZDUSSCGKSA-N 341.436 3.265 30 40 EGEB C=CCn1c(S[C@H](C)c2nnc(CC)o2)nc2sccc2c1=O 71893899 WQNWUHBCQYHWIR-SECBINFHSA-N 348.453 3.443 30 40 EGEB N#Cc1ccc(NC(=O)CSC[C@@H]2CCCO2)cc1C(F)(F)F 72499460 SEYPZTBFZHGNIQ-LBPRGKRZSA-N 344.358 3.428 30 40 EGEB C#CCN(CC1CC1)c1cc(C(F)(F)F)nc(-c2ccncc2)n1 89261603 BTCDRQGMMKJGBD-UHFFFAOYSA-N 332.329 3.407 30 40 EGEB Cc1ccc(COc2nn(Cc3ccc(F)cc3)c(N)c2C#N)cc1 225842844 VTMZMMNHRVQBDX-UHFFFAOYSA-N 336.370 3.412 30 40 EGEB COc1ccc([C@@H](NC(=O)N(C)[C@@H](C)CC#N)C(F)(F)F)cc1 97100288 SAZGIKSNFZMRFM-GXFFZTMASA-N 329.322 3.242 30 40 EGEB N#Cc1ccc2nc(CO[C@H]3CN(C4CCCCC4)C[C@H]3F)[nH]c2c1 96112281 VLRVNSGZEHQTOX-QAPCUYQASA-N 342.418 3.306 30 40 EGEB biogenic,in-vitro COCCN(C(=O)c1cccc2ncccc12)c1ccc(C#N)cc1 78877202 MUPNPEUQURFDGV-UHFFFAOYSA-N 331.375 3.400 30 40 EGEB N#Cc1cccc(C(=O)NCc2ccc([C@H](O)c3ccco3)s2)c1 206683320 QWOSTDVQQIOJBA-QGZVFWFLSA-N 338.388 3.224 30 40 EGEB COc1ccc(/C=N/N=C2\SCC(=O)N2c2ccccc2)cc1 12420277 CABSQKJOBJMCHQ-ONMBGNKZSA-N 325.393 3.165 30 40 EGEB C=CCNC(=O)/C(=C\c1cccs1)NC(=O)c1ccc(C)cc1 3055421 KEJOUGVNPJGCEB-FOWTUZBSSA-N 326.421 3.130 30 40 EGEB C=C(C)Cn1c(C)cc(C)c(S(=O)(=O)c2ccccc2C)c1=O 1401505 NCHUOHWFLDMFNZ-UHFFFAOYSA-N 331.437 3.182 30 40 EGEB COc1ccc2c(c1)C(=O)/C(=C\c1cc(OC)c(O)c(OC)c1)CO2 96993446 IEIFOOYHFVHDPQ-SDQBBNPISA-N 342.347 3.077 30 40 EGEB CC(C)(C#N)C(=O)Nc1cc(I)ccc1Cl 84139813 RXFVDJZELUAYGV-UHFFFAOYSA-N 348.571 3.433 30 40 EGEB CCc1nc(C)c(C#N)c(S[C@@H](C)C(=O)NCc2cccs2)n1 12792893 HPFVEIVFSYPJMW-NSHDSACASA-N 346.481 3.078 30 40 EGEB CSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1cccs1 5066767 MPHXRAKCRIOQQA-GFCCVEGCSA-N 345.449 3.118 30 40 EGEB C#CCOc1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1OCC 5872327 YFDJEHCQHDNOAA-GHRIWEEISA-N 347.370 3.442 30 40 EGEB N#Cc1ccc(N2CC[C@@H](SC[C@@H](O)c3ccccc3)C2=O)cc1 69308249 OBKVDALEOMNNSU-QZTJIDSGSA-N 338.432 3.130 30 40 EGEB N#Cc1ccc(OCCn2cc(-c3cccc([N+](=O)[O-])c3)cn2)cc1 95452526 XVPCFNLHHWATKU-UHFFFAOYSA-N 334.335 3.409 30 40 EGEB CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OC(C)=O)cc1C#N 225820783 VKBQOXNGEDFDCW-GOSISDBHSA-N 332.400 3.263 30 40 EGEB CCn1nc(C)c(C(=O)[C@@H](C#N)c2nc3ccccc3n2C)c1Cl 96441810 DJETYBHNBVVILS-LLVKDONJSA-N 341.802 3.242 30 40 EGEB C[C@H](c1cccc(C#N)c1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 249269390 JYKGSHPXKRJRNN-CZUORRHYSA-N 337.383 3.109 30 40 EGEB C[C@H](NC(=O)Nc1cccc([C@@H]2CCC(=O)N2)c1)c1cccc(C#N)c1 591348744 PRZWAMHXWOCREB-UGSOOPFHSA-N 348.406 3.392 30 40 EGEB O=C(/N=C1\SCCN1C(=O)c1ccccc1F)c1ccccc1F 556088 SAQHOOIAZLVLPW-JZJYNLBNSA-N 346.358 3.350 30 40 EGEB CN(C)CC(CN(C)C)C(=O)/C=C\c1ccc(Cl)cc1Cl 17142562 JVWIODXMDBGIHQ-VURMDHGXSA-N 329.271 3.315 30 40 EGEB C[C@H](NS(=O)(=O)CC1(C#N)CC1)c1cc2cc(Cl)ccc2o1 165386491 TXBQXWIVRRIIFZ-JTQLQIEISA-N 338.816 3.370 30 40 EGEB C=CCc1cc(OCC)cc(CN2CCC(C(=O)OCC)CC2)c1O 40149253 SGIZHYWIBHJSKK-UHFFFAOYSA-N 347.455 3.295 30 40 EGEB N#Cc1ccc(C(=O)NCc2cccc(OCC(F)(F)F)c2)cc1 32930613 BVRPSHFSNBGLER-UHFFFAOYSA-N 334.297 3.429 30 40 EGEB COc1ccc(C(=O)CSc2nc(C)c(C(C)=O)cc2C#N)cc1 496265 PZNNIUIYUNLGTE-UHFFFAOYSA-N 340.404 3.448 30 40 EGEB O=C(/C=C1\NCCc2cc3c(cc21)OCO3)C[C@H]1C[C@H]2CC[C@H]1C2 105382726 CBAXMSGGEBAKNN-AEKJDTLWSA-N 325.408 3.297 30 40 EGEB biogenic COc1cc2c(cc1OC)CCN(C(=O)C1(C#N)CCCCC1)CC2 57398623 SLWUETKOHWGLSY-UHFFFAOYSA-N 342.439 3.105 30 40 EGEB Cc1nc2ccccc2nc1S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C 29282548 CAZRFGAMOJBONU-UGSOOPFHSA-N 342.468 3.473 30 40 EGEB N#C[C@H]1c2cnn(-c3ccccc3)c(=O)c2N2c3ccccc3S[C@@H]12 28114886 XILLCCQHSBRLRU-DJJJIMSYSA-N 344.399 3.423 30 40 EGEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1ccc([C@H](C)O)cc1 65515692 KENWYBAJZVGBPK-ZDUSSCGKSA-N 349.390 3.234 30 40 EGEB Cc1ccc(C(=O)/C=C2\NCCc3cc4c(cc32)OCCCO4)o1 5354755 DNNWDRMLHOYLIU-PTNGSMBKSA-N 325.364 3.119 30 40 EGEB COc1ccc(S(=O)(=O)N/N=C(\C)c2ccc(Cl)cc2)cc1 5621259 YPMKTVSMBAIMGE-GZTJUZNOSA-N 338.816 3.051 30 40 EGEB N#CCCN(Cc1cccnc1)C(=O)CCCOc1cccc(F)c1 69458555 QPGCMFQHBUAELD-UHFFFAOYSA-N 341.386 3.322 30 40 EGEB C=C[C@@H](C)N1C(=O)S/C(=C/c2cc3c(cc2OC)OCO3)C1=O 409085611 DYHPZXUEMRYNCV-ISKYKNHCSA-N 333.365 3.035 30 40 EGEB CCOc1ccc(Cl)cc1C=Nn1c(O)nc2ccccc2c1=O 409353337 JGBHBXVKNRHTSD-UHFFFAOYSA-N 343.770 3.036 30 40 EGEB N#Cc1ccccc1OCc1cccc(C(=O)NCc2ccccn2)c1 79350849 PNIHZZPRZLFBPE-UHFFFAOYSA-N 343.386 3.462 30 40 EGEB CN(Cc1cccc(N(C)C)c1)Cc1nnc(-c2ccc(C#N)cc2)o1 89923009 JNVPZKZKNUGKRZ-UHFFFAOYSA-N 347.422 3.306 30 40 EGEB Cc1ncsc1CN(C)C[C@H]1CCN(c2ccc(F)cc2C#N)C1 225603379 GPPXODPCJHRTLI-CQSZACIVSA-N 344.459 3.421 30 40 EGEB C#C[C@@](C)(CC)OC[C@@H](O)CN1CCC(Cc2ccccc2)CC1 96305969 SCCBWLOJLYFAMK-SFTDATJTSA-N 329.484 3.121 30 40 EGEB CCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1ccc(C#N)cc1F 69668686 CBTMBJVRYJFESN-ZWKOTPCHSA-N 329.419 3.063 30 40 EGEB NCCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1083811684 CZPNYDPPZDFZTE-UHFFFAOYSA-N 343.136 3.065 30 40 EGEB COc1ccc2c(c1)/C(=N/O)C[C@@H](c1ccc3c(c1)OCCO3)O2 138859 JMXDIOXXKGVCPY-WFVLPUPGSA-N 327.336 3.169 30 40 EGEB CC1(C)CC(N2CCCCC2)=C/C(=N/CCCN2CCOCC2)C1 5072561 WMKVCVCYLKFDDP-UZYVYHOESA-N 333.520 3.340 30 40 EGEB CCOc1ccc(CN(C)[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1 6602120 ZRPVJUKEOHFSGP-HNNXBMFYSA-N 337.423 3.416 30 40 EGEB CCCCCCCC[C@@H]1Cc2cc(O)c(C(=O)O)c(O)c2[C@H](O)O1 102997330 SKYDJPNCOZADBB-KZULUSFZSA-N 338.400 3.479 30 40 EGEB biogenic,in-vitro CN(C(=O)CNc1ccc(F)c(F)c1F)C1(C#N)CCCCC1 52874299 AJWGPGCVEFWXRH-UHFFFAOYSA-N 325.334 3.201 30 40 EGEB N#CCOc1cccc(CNC(=O)N2CC[C@H](Cc3ccccc3)C2)c1 76087038 AHDIEFBPYNIPPG-LJQANCHMSA-N 349.434 3.363 30 40 EGEB N#C[C@@H](C(=O)NC1CC1)C(=O)c1sc2cc(F)ccc2c1Cl 103504751 GSKKDJOWLHAKAC-SNVBAGLBSA-N 336.775 3.295 30 40 EGEB CN(Cc1cc(C#N)ccc1F)C(=O)CSc1ccccc1O 97011119 BHKUVEFWNGHECH-UHFFFAOYSA-N 330.384 3.154 30 40 EGEB CC(C)CO/C(O)=N/c1nnc(COc2ccccc2F)s1 1274711 UYYSMASXJWMBTD-UHFFFAOYSA-N 325.365 3.474 30 40 EGEB Cc1ccccc1NC(=O)[C@@H](C)O/N=C/c1cccc([N+](=O)[O-])c1 3218368 ZSPOAMNYZQXEGD-VBEHJTROSA-N 327.340 3.281 30 40 EGEB C=CCO[C@H](C)C(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1 58316202 PETAIJHXTXXCEW-LLVKDONJSA-N 348.424 3.357 30 40 EGEB COc1ccc(CNCc2ccc(OC)c(OCCCC#N)c2)cn1 64613857 JNXCUTNAVRZTPU-UHFFFAOYSA-N 341.411 3.071 30 40 EGEB CC(C)[C@@H](NC(=O)c1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 6789641 AMSFBDBDKYIVTA-LJQANCHMSA-N 336.391 3.457 30 40 EGEB NC1=N/C(=N\c2ccc(I)cc2)c2ccccc21 5731778 GMTVRYVNEYBARM-UHFFFAOYSA-N 347.159 3.088 30 40 EGEB N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC[C@H](O)C2)cc1 71883204 FKWPAAJWSNVWNR-AWEZNQCLSA-N 340.354 3.087 30 40 EGEB CN(C)[C@@H](CNc1ccc(C(F)(F)F)c(C#N)c1)c1cnn(C)c1 95944320 SIEHTTUPGRHLIA-HNNXBMFYSA-N 337.349 3.025 30 40 EGEB C=CCOc1ccc(/C=C2/SC(=O)N(CCCOC)C2=O)cc1 409234900 AHVMWVZOOQLNED-NTCAYCPXSA-N 333.409 3.324 30 40 EGEB C=CCOc1cc(C(=O)NCCCn2cccn2)cc2occc12 72240214 UONCGKGGMPKXOV-UHFFFAOYSA-N 325.368 3.014 30 40 EGEB CC[C@@H](C)Sc1nc(N)c(C#N)c(COc2ccc(OC)cc2)n1 223694356 WOEYZZFOQZORTI-LLVKDONJSA-N 344.440 3.409 30 40 EGEB Cc1cccc(OCCN2C(=O)/C(=N\O)c3ccc(Cl)cc32)c1 46084655 BGZGINDPPUWUOX-MNDPQUGUSA-N 330.771 3.252 30 40 EGEB CN1C(=O)c2ccccc2[C@H](/C(O)=N/c2ncn[nH]2)[C@H]1c1ccccc1 95474270 JUPHXOAVMVZLAO-JKSUJKDBSA-N 347.378 3.003 30 40 EGEB N#Cc1ccc(NCC(=O)N2CC3(CCC3)[C@H]2c2cccnc2)cc1 585126577 CDDZRRRRAOSZSA-LJQANCHMSA-N 332.407 3.119 30 40 EGEB COc1cccc(SCC(=O)N[C@H](C#N)c2ccc(F)cc2F)c1 79048896 KILFTVWXYMBTPN-MRXNPFEDSA-N 348.374 3.447 30 40 EGEB C[C@H](O)CCN(C)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 91247909 JLFFZGCWZZDSQQ-HNNXBMFYSA-N 337.423 3.138 30 40 EGEB NC(=S)N/N=C1/c2ccccc2-c2cc(Br)ccc21 17379185 ZWRGSLGTWZRDMP-LGMDPLHJSA-N 332.226 3.015 30 40 EGEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccnc1 19798334 AUPNIRRJIDXNBS-SFHVURJKSA-N 340.423 3.393 30 40 EGEB C[C@@H](O/N=C/c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1F 7263106 FKRACUQUZXRNSM-VDCVXVNISA-N 331.303 3.112 30 40 EGEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4C[C@H](C)O[C@H](C)C4)[C@H]3C[C@@H]12 19703269 CNUKCRQWTYDAEH-YIZUQDSXSA-N 347.499 3.410 30 40 EGEB biogenic C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 6652618 JTBLNHYPBMTOGU-JTQLQIEISA-N 329.287 3.012 30 40 EGEB COc1cccc(OC[C@@H]2CCCN(Cc3ccc(C#N)cc3)C2)n1 2080571174 WOLNUBOQABODIH-GOSISDBHSA-N 337.423 3.253 30 40 EGEB C=CCNc1nnc(SCc2nc(Cc3ccccc3)no2)s1 31646950 AURBISYOUVDSJE-UHFFFAOYSA-N 345.453 3.402 30 40 EGEB C[C@@H](NC(=O)OC(C)(C)C)C(=O)[C@H](C#N)c1nc2ccccc2s1 41499509 WDIQVNSQUJYUAZ-MNOVXSKESA-N 345.424 3.386 30 40 EGEB CN(C(=O)c1ccccc1Oc1ccccc1C#N)c1cnn(C)c1 97046813 UDXWKXJDHGGUPQ-UHFFFAOYSA-N 332.363 3.361 30 40 EGEB CN(CC(=O)N[C@](C)(C#N)C1CC1)[C@H](c1ccccc1)C(F)(F)F 106767894 QKRYVLWEGMEZFI-HZPDHXFCSA-N 339.361 3.030 30 40 EGEB C=CCOc1ccc(NC(=O)C(=O)NC[C@H](C)c2ccccc2)cc1 59477988 AKLXKFRXRGTXER-HNNXBMFYSA-N 338.407 3.110 30 40 EGEB Brc1cc(/C=N/c2cccnc2)oc1N1CCOCC1 59249465 VZJOLCBGPKERTC-LICLKQGHSA-N 336.189 3.024 30 40 EGEB N#Cc1c(F)cccc1NCc1ccc(N2CCC(O)CC2)c(F)c1 48374298 SNLMNPGSDCDKBR-UHFFFAOYSA-N 343.377 3.410 30 40 EGEB COc1ccc([C@@H](C)NC(=O)NCC#Cc2ccccc2)c(OC)c1 48415743 DWBYRRAFVIQABO-OAHLLOKOSA-N 338.407 3.116 30 40 EGEB CC(C)c1csc([C@@H](C#N)C(=O)c2ccc3c(c2)OCC(=O)N3)n1 80456445 HNDMFAMXVYFSSM-NSHDSACASA-N 341.392 3.087 30 40 EGEB C[C@@H](/N=C(/NC[C@H](O)c1ccccc1F)NC1CC1)c1cccs1 75583419 DWIDMQOEDUFYML-WBMJQRKESA-N 347.459 3.379 30 40 EGEB CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(C#N)cc1 226760327 MRKUPFJNRYAJLD-GOSISDBHSA-N 336.391 3.089 30 40 EGEB C=C(Br)CNC(=O)Nc1cccc(NC(=O)C(C)C)c1 49300360 DHILDVKGTKTHFG-UHFFFAOYSA-N 340.221 3.311 30 40 EGEB C#CCN(Cc1cccc(C)n1)C(=O)c1c(F)c(F)cc(F)c1F 79000591 JDTNQZQHKTWCRN-UHFFFAOYSA-N 336.288 3.222 30 40 EGEB O=C(C[C@@H]1S/C(=N/N=C2CCCCC2)NC1=O)c1ccc(F)cc1 16739645 ORWYQUABVSWBLJ-HNNXBMFYSA-N 347.415 3.306 30 40 EGEB CN(C(=O)COC(=O)/C=C/c1ccccc1F)C1(C#N)CCCCC1 6429942 BETZZCGWDZOWFX-MDZDMXLPSA-N 344.386 3.067 30 40 EGEB C=CCn1c(SCC(C)=O)nc2sc3c(c2c1=O)CCCC3 137231 YYEPVELHAYMUAH-UHFFFAOYSA-N 334.466 3.204 30 40 EGEB Cc1ccc(C(=O)NC2CCN(Cc3ccc(C#N)cc3)CC2)s1 51099131 OZKJHVXCURFICX-UHFFFAOYSA-N 339.464 3.323 30 40 EGEB N#Cc1cc2c(N)c(C(=O)Nc3ccc4c(c3)CCC4)sc2nc1N 32815428 JZKHAOISMYUQFO-UHFFFAOYSA-N 349.419 3.073 30 40 EGEB CCOC(=O)/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)=O 4838094 OOYTZKYISRASMM-GDNBJRDFSA-N 329.308 3.390 30 40 EGEB CC(=O)[C@@H]1CC[C@H]2[C@H]3CCC4=CC(=O)C[C@]4(C)[C@]3(F)[C@@H](O)C[C@@]21C 6186472 MCAHIIQBOBRLHG-NIPLRTIXSA-N 334.431 3.396 30 40 EGEB C=CCn1c(C)cc(-c2csc(NC(=O)C3=COCCO3)n2)c1C 10255660 NJEGMISHHMRGBA-UHFFFAOYSA-N 345.424 3.241 30 40 EGEB O=c1[nH]c2ccc(/N=C/c3cc(Br)ccc3O)cc2[nH]1 3233546 ZVAZYZFTSFSLNW-FRKPEAEDSA-N 332.157 3.075 30 40 EGEB COc1ccccc1C[C@H](C#N)C(=O)Nc1ccc(OC)c(OC)c1 57523422 NDKDGZUIJJLTCD-CQSZACIVSA-N 340.379 3.033 30 40 EGEB CC(C)Nc1nnc(SCC(=O)Nc2sccc2C#N)s1 3383328 HHZKYLSOURAFAA-UHFFFAOYSA-N 339.471 3.022 30 40 EGEB O/C(=N\c1ncn(Cc2ccccc2)n1)C1=Cc2ccccc2OC1 58416075 LXFMEKNPKDXIJT-UHFFFAOYSA-N 332.363 3.390 30 40 EGEB Cc1ccc(C/C(O)=N/c2nc(-c3c(F)cccc3F)n[nH]2)cn1 96449584 IUQYGMZDBFFBLS-UHFFFAOYSA-N 329.310 3.284 30 40 EGEB CCCc1nnc(S[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)o1 95994662 FMHNBAVSFKXHFR-AWEZNQCLSA-N 342.424 3.181 30 40 EGEB N#Cc1c(NC(=O)COc2ccc(C=O)cc2)sc2c1CCCC2 20393319 IYSJLCWNIMWIFN-UHFFFAOYSA-N 340.404 3.329 30 40 EGEB COc1ccc(COc2nn(Cc3ccc(C)cc3)c(N)c2C#N)cc1 225846387 OREXUYFCDRISNE-UHFFFAOYSA-N 348.406 3.281 30 40 EGEB Cc1oc(-c2ccsc2)nc1CO/N=C(\N)CN1CCCC[C@@H]1C 78639408 ANDSXCBUJVCLFW-LBPRGKRZSA-N 348.472 3.375 30 40 EGEB Cc1ccc(C)c(Oc2cc(-n3nc(C)c(C#N)c3N)nc(C)n2)c1 19910119 XVONVCIZGCUHPJ-UHFFFAOYSA-N 334.383 3.142 30 40 EGEB CC(C)n1ccc(C(=O)[C@H](C#N)C(=O)Nc2cccc(Cl)c2)n1 101112069 VLXAZYUCLVXEAI-ZDUSSCGKSA-N 330.775 3.079 30 40 EGEB COc1ccc(Cl)cc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(F)cc1 103501883 QKHAJOABFDBTAA-CQSZACIVSA-N 346.745 3.449 30 40 EGEB C=CCOc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1 13773586 VFJLHNBTVNNKIW-ATVHPVEESA-N 334.400 3.022 30 40 EGEB N#CC1(C(=O)N2CCC(OCCc3ccccc3)CC2)CCCC1 71835066 CPRCWIRYYDJHIQ-UHFFFAOYSA-N 326.440 3.321 30 40 EGEB COc1ccc2[nH]cc(C/C(O)=N/S(=O)(=O)CC(C)(C)C)c2c1 79037090 UQINFUBHADCAAQ-UHFFFAOYSA-N 338.429 3.051 30 40 EGEB C[C@H]1COCCN1c1ccc(NC(=O)C2(C#N)CCCCC2)cc1 96414137 ANLDIZKMJHHNNL-HNNXBMFYSA-N 327.428 3.324 30 40 EGEB N#Cc1ccc(C(=O)N2CCC(Oc3ccccc3Cl)CC2)nc1 96484065 OJASSFAQAMPGIP-UHFFFAOYSA-N 341.798 3.290 30 40 EGEB C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1cc(C)ccc1C)CC(=O)N2 96350514 OWQHPHYLRFXLKD-ZDUSSCGKSA-N 341.436 3.139 30 40 EGEB Ic1ccccc1/C=N/NC1=NCCCCC1 3214660 OQOMKPNWQXZMOZ-MHWRWJLKSA-N 341.196 3.187 30 40 EGEB C#CCN1C(=O)S/C(=C/c2cc(Cl)c(OC)c(OC)c2)C1=O 980217 FHWNUALUPFNVCI-XYOKQWHBSA-N 337.784 3.027 30 40 EGEB CCCNS(=O)(=O)c1ccc(C(=O)/C=C/c2ccccc2F)cc1 12821745 IADNJXWTSPVINI-FMIVXFBMSA-N 347.411 3.410 30 40 EGEB CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc3[nH]ncc3c2)c1O 4638373 ZNAKRVOKGDXMPY-CAOOACKPSA-N 326.312 3.326 30 40 EGEB CC(C)(C)c1ccc(S(=O)(=O)N/N=C/c2ccccc2O)cc1 20468221 LDJGTGYXLGLYDP-LDADJPATSA-N 332.425 3.002 30 40 EGEB COc1ccc(OC2CCN(c3nnc(C)c(C)c3C#N)CC2)cc1 40555584 KGYWHGGGWOYGRC-UHFFFAOYSA-N 338.411 3.022 30 40 EGEB COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cn(C)c2ccccc12 102389310 WEYYIBQSVKOOTI-AWEZNQCLSA-N 347.374 3.148 30 40 EGEB Cc1ccc(S(=O)(=O)/N=C(\O)Cc2ccc(F)c(F)c2)c(C)c1 84142042 AWDABUYENRNDMI-UHFFFAOYSA-N 339.363 3.470 30 40 EGEB CN(C)/C=N/c1ncc(C(=O)c2sccc2Br)s1 100914816 SHWLUHKMLKYSIN-MKMNVTDBSA-N 344.259 3.420 30 40 EGEB Cc1ncc(CO/N=C(/N)c2cccnc2Oc2ccccc2)s1 58407043 PEPZQQDFXIRKEA-UHFFFAOYSA-N 340.408 3.476 30 40 EGEB N#Cc1ccc(C(=O)Nc2ccccc2I)cc1 3435775 KRPFKNIFXYJPMB-UHFFFAOYSA-N 348.143 3.415 30 40 EGEB C=CCn1c(C)nnc1SCc1noc(Cc2ccccc2)n1 68043641 OOBRWBDDNCXULN-UHFFFAOYSA-N 327.413 3.039 30 40 EGEB N#Cc1nc(NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)[nH]c1C#N 95393138 BIYSYZAPOCSBBP-ZJUUUORDSA-N 346.177 3.202 30 40 EGEB CC(C)(C)OC(=O)N1CCC[C@@H](CCNC(=O)C2(C#N)CCCC2)C1 69665630 DHMAOPKBCRDFJL-HNNXBMFYSA-N 349.475 3.224 30 40 EGEB N#C[C@@]1(NC(=O)CCc2ccc(C(F)(F)F)cc2)CCSC1 71884654 FKSSMFPKXOVGOA-AWEZNQCLSA-N 328.359 3.153 30 40 EGEB O=C[C@@H]1[C@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 217924528 WSYOKIMEHMNARE-PMPSAXMXSA-N 338.787 3.234 30 40 EGEB COc1cc2c(cc1OC)/C(=N/Nc1cc(Cl)ccc1C)C(=O)N2 223736817 ZGWIUDOWTAURRM-UHFFFAOYSA-N 345.786 3.434 30 40 EGEB CC1CCN(c2nnc(Sc3ccc(C#N)cn3)n2C2CC2)CC1 42848454 OJULKTSDXIPDDZ-UHFFFAOYSA-N 340.456 3.267 30 40 EGEB C[C@H]1C[C@H](NC(=O)Nc2ccc(CC#N)cc2)C(=O)N1c1ccccc1 96433891 QULRGNGUSNQZEK-KSSFIOAISA-N 348.406 3.068 30 40 EGEB N#C[C@@H](NC(=O)[C@@H]1Cc2ccccc2O1)c1c(F)cccc1Cl 69698944 LOECVEWRRSVVRB-HIFRSBDPSA-N 330.746 3.164 30 40 EGEB N#Cc1ccc(C(=O)NCc2csc(CCc3ccccc3)n2)nc1 81933889 AFOOGRMCHJIMLR-UHFFFAOYSA-N 348.431 3.125 30 40 EGEB C/C(=N\n1c(C)cc(C)c(C#N)c1=O)c1ccc(Br)cc1 116646 IBLZACPVWVRFCP-XDHOZWIPSA-N 344.212 3.372 30 40 EGEB CC(=O)/C(=C\Nc1cccc(Cl)c1)c1nnnn1-c1ccccc1 16138704 ZMFNONSQWCUFGV-LFIBNONCSA-N 339.786 3.358 30 40 EGEB CCOc1cc(/C=N/n2c(S)nnc2CC)ccc1OCC(C)C 8182895 DDRGYHZCHOUAHI-VCHYOVAHSA-N 348.472 3.445 30 40 EGEB O=C1c2ccccc2N[C@@H](c2cc(Br)ccc2O)N1O 1012020 CBLZDSSYVRALLE-CYBMUJFWSA-N 335.157 3.110 30 40 EGEB C=CCNC(=O)c1ccccc1NC(=O)COc1ccccc1Cl 8554497 FHSBRICHEFVCOX-UHFFFAOYSA-N 344.798 3.273 30 40 EGEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4CCC[C@@]4(C)CC[C@@H]32)[C@H]1O 118915211 LGMXWRFZIGLDKL-LNKWTTPSSA-N 346.467 3.421 30 40 EGEB N#CCCCCS(=O)(=O)NCc1ccc(-c2ccccc2F)o1 71897462 GMJSVQHXXROBNZ-UHFFFAOYSA-N 336.388 3.199 30 40 EGEB N#Cc1ccc(OCCOC(=O)[C@H]2Cc3ccccc3S2)cc1 12994121 DEJNTGDVNZVZNH-QGZVFWFLSA-N 325.389 3.197 30 40 EGEB COc1ccc(-c2nnc(SC[C@@H](C#N)CCC#N)o2)c(OC)c1 8941725 WYZPUEBNHITDOG-LLVKDONJSA-N 344.396 3.289 30 40 EGEB COCc1cc(C)nc(N/N=C/c2ccc(C)c([N+](=O)[O-])c2)c1C#N 16347804 UWSWZZLARFHVSY-DJKKODMXSA-N 339.355 3.071 30 40 EGEB COc1cc(OC)c(/C=N/NCc2ccccc2OC)cc1Cl 20762413 FTKXZUUOSBWUPW-RGVLZGJSSA-N 334.803 3.490 30 40 EGEB COc1cc(C#N)ccc1OCCn1c([C@@H](C)O)nc2ccccc21 97082415 IRGNAGDJUOWASE-CYBMUJFWSA-N 337.379 3.049 30 40 EGEB CCNC(=O)N1CCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1 73458140 OFDICFTZMCAGJA-UHFFFAOYSA-N 348.450 3.072 30 40 EGEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCC[C@@H]4COC)[C@H]3C[C@H]12 35363912 LYZJRMREVMQKQK-WDMXLXEJSA-N 347.499 3.411 30 40 EGEB Cc1nc(C)c(S(=O)(=O)/N=C(\O)[C@@H](C)c2cccs2)s1 83150407 JNXFOSLZHVBCFT-ZETCQYMHSA-N 330.456 3.270 30 40 EGEB CN(C(=O)Cc1cscc1Br)[C@@H]1CCC[C@H]1C#N 601819842 QPNXEQHOFVNGQN-JOYOIKCWSA-N 327.247 3.204 30 40 EGEB O=S(=O)(/N=C1\N=C2C=CC=CN2Cc2ccccc21)c1ccccc1 84558642 HJBURLDXITUJCO-VZCXRCSSSA-N 349.415 3.120 30 40 EGEB CC(C)=NO[C@H]1CCCC[C@H]1OS(=O)(=O)c1ccc(C)cc1 5395418 OMUVFWCYEFCHGJ-JKSUJKDBSA-N 325.430 3.424 30 40 EGEB CCc1ccc([C@@H]2COCCN2C(=O)Nc2ccc(C#N)cc2)o1 76018028 QJGAUHWTJMTQQV-INIZCTEOSA-N 325.368 3.319 30 40 EGEB CCCCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1OCCCC 2368424 UKVMVKIPKVSSSI-AWEZNQCLSA-N 340.427 3.332 30 40 EGEB CCCN(Cc1ccc(C#N)cc1)Cc1nc2ccccc2n(C)c1=O 97201537 FKOMQWMRUUWBSZ-UHFFFAOYSA-N 346.434 3.217 30 40 EGEB C=CCN(C(=O)CN1CCC[C@@H]1c1cc(C)no1)c1ccccc1 48280041 WNVBRHACHPCSDR-QGZVFWFLSA-N 325.412 3.339 30 40 EGEB Cc1ccc(C(=O)[C@H](C#N)c2nnc(-c3ccccc3)n2C)cc1F 58168321 GCMQLEGGUREDFE-HNNXBMFYSA-N 334.354 3.420 30 40 EGEB CC(C)c1nc(C#N)c(NC[C@@H](c2cccs2)N2CCOCC2)o1 27794103 CFZNNSLJDNRSMH-AWEZNQCLSA-N 346.456 3.217 30 40 EGEB COC(=O)C1=NN/C(=N\c2ccccc2)S[C@@H]1c1ccccc1 6714509 AJFSBXOQOIFTBI-OAHLLOKOSA-N 325.393 3.281 30 40 EGEB CCN(CC)c1ccc(/C=N/n2c(S)nnc2C(F)F)cc1 6910465 DLFDDFLNKXDUJX-RQZCQDPDSA-N 325.388 3.233 30 40 EGEB Cc1cc(C)c(NC(=O)CNc2ccc([N+](=O)[O-])cc2C#N)c(C)c1 8054429 KWOYSVNFHFAQRV-UHFFFAOYSA-N 338.367 3.442 30 40 EGEB CCn1cc(C(=O)/C=C/c2cnc3ccc(Br)cn23)cn1 69926997 UNWOFRKASVFFNS-SNAWJCMRSA-N 345.200 3.209 30 40 EGEB CCCC(C#N)(CCC)NC(=O)CCCNC(=O)c1ccccc1 75110364 FVZPZXYEBZXIQQ-UHFFFAOYSA-N 329.444 3.175 30 40 EGEB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](C=O)[C@@H]2c2cccc(Cl)c2)cc1 218632861 KDSOTXVWVURBCP-ULQDDVLXSA-N 334.824 3.403 30 40 EGEB O=C1/C(=N\O)c2cccc(Cl)c2N1CCCOc1ccccc1 46084694 KHHXBVCGKMVCCS-CYVLTUHYSA-N 330.771 3.334 30 40 EGEB C=C[C@@](C)(O)Cc1nc(-c2cccc(CN3CCCCC3)c2)no1 585133518 KOTNPRJIZGHDIN-LJQANCHMSA-N 327.428 3.202 30 40 EGEB Cc1cc(Cl)c2ncc(C#N)c(NC[C@H](CO)[C@H]3CCOC3)c2c1 252489379 JPUJZGFEZUOADP-GXTWGEPZSA-N 345.830 3.125 30 40 EGEB COc1cccc([C@@]2(O)CC[C@@H]3CN(Cc4cccc(C#N)c4)C[C@@H]32)c1 13568919 LAKGZRJWGZDTEI-COPCDDAFSA-N 348.446 3.296 30 40 EGEB Cc1cc(C)c(C#N)c(SCC(=O)c2ccc([N+](=O)[O-])cc2)n1 75072 JOKWNXADABKPAG-UHFFFAOYSA-N 327.365 3.453 30 40 EGEB O/N=C(\CN1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1 8618944 KLDWIXPULQEEPN-CZIZESTLSA-N 329.831 3.341 30 40 EGEB C=CCc1cc(/C=N/Nc2ccc([N+](=O)[O-])cn2)cc(OCC)c1O 59250074 NVAGRAWJLCJQTC-VXLYETTFSA-N 342.355 3.269 30 40 EGEB C=CCO[C@H](C)C(=O)N[C@H](C)c1ccc(OC)c(Br)c1 58342995 XHQGLRKFTKANCD-GHMZBOCLSA-N 342.233 3.226 30 40 EGEB CC1CCN(C[C@@H]2C(=O)O[C@@]34[C@@H](CC[C@@]5(C)O[C@H]53)[C@H](C)CC[C@@H]24)CC1 4062807 AHWYTPJLSKLEDB-WHCUZVCWSA-N 347.499 3.244 30 40 EGEB biogenic COCCOCCCC(=O)Nc1ccccc1SC[C@@H](C)C#N 65453592 SPAPHGOWTDFGFK-AWEZNQCLSA-N 336.457 3.320 30 40 EGEB C=CCN1C(=O)/C(=C/c2cc3ccccc3oc2=O)SC1=S 409329528 FGDMGEQNJZEFFH-LCYFTJDESA-N 329.402 3.180 30 40 EGEB CC(C)[C@H](NC(=O)Nc1ccc(F)c(C#N)c1)C(=O)OC(C)(C)C 95414246 CTVDGBIYFSOQTB-AWEZNQCLSA-N 335.379 3.185 30 40 EGEB C=CCOc1ccc(NC(=O)C(=O)NCc2cccc(Cl)c2)cc1 408707771 DXSYFZQAMHUYOT-UHFFFAOYSA-N 344.798 3.160 30 40 EGEB Cc1ccccc1-n1cccc1C=Nn1c(O)nc2ccccc2c1=O 409352440 ZZSANCDXCRLIHT-UHFFFAOYSA-N 344.374 3.083 30 40 EGEB COc1cccc(/C=N/Nc2ncccc2[N+](=O)[O-])c1OC(C)C 409009363 DTRXCGFCLZTZQN-VCHYOVAHSA-N 330.344 3.232 30 40 EGEB CC[C@H](c1ccncc1)N(C)S(=O)(=O)c1ccc(Cl)cc1C#N 96428133 JBJHCIWKEHVGNY-OAHLLOKOSA-N 349.843 3.378 30 40 EGEB CCN(CC#N)C(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c12 67687672 LTQNSLTXKGKOFK-UHFFFAOYSA-N 338.367 3.394 30 40 EGEB NC(=O)CCC/N=C(/c1ccc(Cl)cc1)c1cc(F)ccc1O 18153101 IBALRBWGSVJPAP-FXBPSFAMSA-N 334.778 3.288 30 40 EGEB world C[C@@H](OC(=O)c1ccc(F)cc1F)C(=O)Nc1ccc(C#N)cc1 6354649 JKKHERRXPOUJJE-SNVBAGLBSA-N 330.290 3.020 30 40 EGEB Cc1csc(C2=C(N)N(c3cccc(C(F)(F)F)c3)CC2=O)n1 13690880 JPYOTLVWCAAKAD-UHFFFAOYSA-N 339.342 3.187 30 40 EGEB CC[C@@H](C)NC(=O)CSc1nc2ccc(OC)cc2cc1C#N 411099 MWPUDGYQDWQTEG-LLVKDONJSA-N 329.425 3.122 30 40 EGEB CCOC(=O)C1=C2CCCC[C@H]2[C@@H](c2ccccc2)C(C#N)(C#N)C1=O 507106 REIBZBDQMVFGEB-SJLPKXTDSA-N 348.402 3.436 30 40 EGEB COCC/N=c1/scc(-c2ccccc2F)n1/N=C/c1ccco1 103372153 IMMOVBHBBKXVQZ-MYVXQKSKSA-N 345.399 3.378 30 40 EGEB Cn1ccnc1[C@H](NC(=O)Nc1ccc(C#N)cc1)c1ccccc1F 12535576 XNDQQFDCUKVHIO-QGZVFWFLSA-N 349.369 3.342 30 40 EGEB Cc1csc(C/C(N)=N/OCc2cc(-c3cccs3)on2)n1 63456503 FEBYIJCCDDBBKY-UHFFFAOYSA-N 334.426 3.200 30 40 EGEB C=C(C)CSc1nnc2n1-c1sc3c(c1-c1ncnn1-2)CCC3 5478270 UOJGPUNBPXVYGM-UHFFFAOYSA-N 342.453 3.047 30 40 EGEB N#C[C@]1(NC(=O)/C=C/c2csc(Br)c2)CCSC1 96407526 JSNKWRASYITJBO-YYRQZUAOSA-N 343.271 3.039 30 40 EGEB Cc1csc([C@H]2CCCCN2C(=O)c2ccc(C#N)c(C)n2)n1 72273812 MOYTVVILDCTEFF-OAHLLOKOSA-N 326.425 3.394 30 40 EGEB Cc1nccn1-c1ccnc(C(=O)O[C@@H](C)c2cccc(C#N)c2)c1 72289720 RUEMETASFWEJPQ-ZDUSSCGKSA-N 332.363 3.365 30 40 EGEB CN(C)C(=O)c1cc(NCCCOc2cccc(C#N)c2)ccc1F 95418387 GZDRFISUTITZQG-UHFFFAOYSA-N 341.386 3.280 30 40 EGEB CCN(CCOc1ccc(C#N)cc1)Cc1ccc(OC)c(OC)c1 24245565 BZZLPOSTDDZBQM-UHFFFAOYSA-N 340.423 3.476 30 40 EGEB N#Cc1cc(NCc2cccc(OC(F)F)c2)cc(N)c1[N+](=O)[O-] 330032982 VIKRLHLBQMMDSU-UHFFFAOYSA-N 334.282 3.262 30 40 EGEB N#Cc1ccc(N2CCC(OC[C@H]3CCCCO3)CC2)c([N+](=O)[O-])c1 96455881 ANLZKWJELWZXBM-MRXNPFEDSA-N 345.399 3.021 30 40 EGEB COc1ccsc1S(=O)(=O)N(c1cccc(C#N)c1)C1CCC1 585129238 CJPVQDGJLBLFJY-UHFFFAOYSA-N 348.449 3.376 30 40 EGEB O=C(O)c1ccccc1NC1=C(Cl)C(=O)c2ccccc2C1=O 487437 PLEZNSCVAAAQDO-UHFFFAOYSA-N 327.723 3.326 30 40 EGEB biogenic CCCOC(=O)C[N+](C)(C)CCO[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C 2290246 YPXYMOSBZGQIMQ-MDZRGWNJSA-N 326.501 3.247 30 40 EGEB C=CCNc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1 3259813 SNXOUVHWUQCUBH-UHFFFAOYSA-N 340.408 3.029 30 40 EGEB COc1ccc(C(=O)ON2C(=O)c3cccc4cccc(c34)C2=O)cc1 3646878 DENPEYJRTKXOLH-UHFFFAOYSA-N 347.326 3.216 30 40 EGEB biogenic Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](C)c1cccc(F)c1 13007010 GJVKENQJIJXNLN-CYBMUJFWSA-N 342.418 3.363 30 40 EGEB CCCCc1nnc(/N=C(\O)c2c(O)[nH]c3ccccc3c2=O)s1 9045812 OYMWEDPVIOCPIT-UHFFFAOYSA-N 344.396 3.064 30 40 EGEB CCOc1nc2ccccc2nc1[C@H](C#N)C(=O)NC1CCCCC1 5451407 AECHQNPMIBMUCP-AWEZNQCLSA-N 338.411 3.085 30 40 EGEB CCN/C(S)=C(/C(=O)c1ccc(Cl)s1)[n+]1ccccc1 14356468 ONEQUMNWIZCEKX-UHFFFAOYSA-O 325.866 3.237 30 40 EGEB CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2ccc(C(N)=O)cc2)cc1 66397145 HXXNSKYDCNXWBI-KRWDZBQOSA-N 335.407 3.078 30 40 EGEB COc1ccc(C(=O)Nc2ccc(CC#N)cc2)c(OC)c1OC 8125665 YHIQEAMKIWQFLE-UHFFFAOYSA-N 326.352 3.031 30 40 EGEB N#Cc1ccc(Sc2nccn2Cc2ccccn2)c([N+](=O)[O-])c1 69776577 PIAKIPAYDILNDL-UHFFFAOYSA-N 337.364 3.257 30 40 EGEB N#Cc1cccc(S(=O)(=O)Nc2c(F)cccc2N2CCCC2)c1 69846673 PUMUNWRUDICINO-UHFFFAOYSA-N 345.399 3.098 30 40 EGEB COC(=O)CN(Cc1ccc(Cl)cc1)C(=O)c1cc(C#N)cs1 83891274 ALJFHFHMIHKCRM-UHFFFAOYSA-N 348.811 3.089 30 40 EGEB C=CCN1C(=O)N/C(=C/c2cccn2-c2ccc(Cl)cc2)C1=O 409129860 VEZBBBLRAFVVJK-RVDMUPIBSA-N 327.771 3.209 30 40 EGEB CC(C)C(C)(C)CNC(=O)N1CCN(c2ccccc2C#N)CC1 186878814 RGGUYPHZVXXCQS-UHFFFAOYSA-N 328.460 3.072 30 40 EGEB N#Cc1ccccc1Sc1ccc(C(=O)N2CCC(O)CC2)cc1 96450272 ARRYBPOBBGEAQV-UHFFFAOYSA-N 338.432 3.306 30 40 EGEB C/C(=N\N=c1\sc2ccccc2n1C)c1ccc2c(c1)CC(=O)N2 585145718 SXONVGIHHQCCCE-IJYYVMIVSA-N 336.420 3.059 30 40 EGEB N#Cc1c(SCCN2CCCCCC2)sc2c(O)cc(=O)[nH]c12 19200255 CRXJQGQJTBPVJA-UHFFFAOYSA-N 349.481 3.135 30 40 EGEB N#CCCN(C(=O)Nc1cccc(C#Cc2ccccn2)c1)C1CC1 76069985 LTJPAQZVTZRYAM-UHFFFAOYSA-N 330.391 3.391 30 40 EGEB N#Cc1ccccc1NC(=O)COC(=O)CCc1c[nH]c2ccccc12 8650142 MPKQWBWGGIWXCD-UHFFFAOYSA-N 347.374 3.154 30 40 EGEB N#Cc1ccc(N2CCC(C(=O)N3CCCCCC3)CC2)c(F)c1 58406852 SXMSWPCAVPJHKB-UHFFFAOYSA-N 329.419 3.316 30 40 EGEB N#Cc1cnn(-c2cccc(C(=O)N3CCC[C@H]3C3CCCC3)c2)c1N 95394613 ZKMFJUYKGVZUFK-SFHVURJKSA-N 349.438 3.121 30 40 EGEB COc1cc(C#N)ccc1O[C@@H](C)C(=O)N1CCCc2ccccc21 9156013 DMMHZAHOSCLLID-AWEZNQCLSA-N 336.391 3.314 30 40 EGEB CC(C)N(/C(=N\S(=O)(=O)c1ccccc1)C(F)(F)F)C(C)C 27232179 BHVIBBPFEODOEV-AQTBWJFISA-N 336.379 3.455 30 40 EGEB Cc1nc(C(=O)[C@@H](C#N)c2nc(O)c3ccc(Cl)cc3n2)cs1 67786215 DVCNXCOHDQDHDI-SNVBAGLBSA-N 344.783 3.244 30 40 EGEB CCOC(=O)C[C@H](CC#N)OC(=O)Cc1ccc(CC(C)C)cc1 72310761 BUUGLUCPSDUWSM-KRWDZBQOSA-N 331.412 3.206 30 40 EGEB C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCOC(C)(C)C1 95953649 DJCFIOGDKDTFMN-AWEZNQCLSA-N 347.484 3.130 30 40 EGEB Cc1n[nH]c(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)n1 95953380 QDINVTLGNMXMPW-JTQLQIEISA-N 347.469 3.238 30 40 EGEB COCCOc1ccc(C(=O)/C=C/c2ccc(O)c([N+](=O)[O-])c2)cc1 44027702 ZMEAJHWGXKNOPO-KRXBUXKQSA-N 343.335 3.222 30 40 EGEB CCCCn1nc(Cc2ccc(Br)cc2)c(C#N)c1N 225832101 JWFLLTQXWVHNCH-UHFFFAOYSA-N 333.233 3.490 30 40 EGEB CCOC1(C(=O)Nc2ccc(OC(C)=O)c(C#N)c2)CCC(C)CC1 225835051 QUVBIVXAHAUEEO-UHFFFAOYSA-N 344.411 3.407 30 40 EGEB COc1cc2nc(C)sc2cc1N/C(O)=N/[C@@H]1CCCCN=C1O 330032882 SYPFJAXHMOLNPX-SNVBAGLBSA-N 348.428 3.448 30 40 EGEB N#Cc1c(N)nc2c(c1N)[C@H](c1ccc(F)cc1)c1ccc(N)cc1O2 36559230 SLJJXBMBXHJBKK-OAHLLOKOSA-N 347.353 3.125 30 40 EGEB C=CCCCN(C)C(=O)c1csc(I)c1 95960493 NDHHZXNORJTTCO-UHFFFAOYSA-N 335.210 3.391 30 40 EGEB C#CCn1/c(=N/C(=O)c2ccc(C#N)cc2)sc2cccc(C)c21 100910027 DEQNNSKXLQGREV-VZCXRCSSSA-N 331.400 3.257 30 40 EGEB COc1ccc(C(=O)/C=C2/Nc3cc(Cl)ccc3OC2=O)cc1 100166414 WKPWKOUTHGERMM-NTEUORMPSA-N 329.739 3.446 30 40 EGEB C=C(C)Cn1c(=O)n(C)c(=O)c2c(-c3ccc(OC)cc3)csc21 32103497 XBNMAGJPDFBMSK-UHFFFAOYSA-N 342.420 3.013 30 40 EGEB COc1ccc2cc(C#N)c(SCC(=O)NC3CCCC3)nc2c1 410940 XWWGZJBSLKWQKY-UHFFFAOYSA-N 341.436 3.266 30 40 EGEB COc1c(Br)cccc1CNC(=O)C#Cc1ccccc1 84381246 LSXVXAFKLPCOAS-UHFFFAOYSA-N 344.208 3.126 30 40 EGEB COc1ccccc1Nc1ncccc1C(=O)N1CCC(C#N)CC1 58427616 CBTIXFRWSIOHEY-UHFFFAOYSA-N 336.395 3.210 30 40 EGEB Cc1nc(SCC(=O)Nc2c(C)noc2C)c(C#N)c(C)c1C 84008187 AXXXDGSCHWUOQX-UHFFFAOYSA-N 330.413 3.214 30 40 EGEB Cc1cc(/C=N/Nc2ccc([N+](=O)[O-])cn2)ccc1N1CCCC1 4551603 XYRUJUKTPRIZQW-YBFXNURJSA-N 325.372 3.344 30 40 EGEB COc1ccc(/N=C\c2ccc(O[C@H](C)C(=O)O)c(OC)c2)cc1 409020294 NOMFBHDCHAEQBI-ZDFPAGSVSA-N 329.352 3.306 30 40 EGEB N#CCc1ccc(NC(=O)NCCOc2ccc(F)c(F)c2)cc1 69708652 XDHXHBRGLNQNEE-UHFFFAOYSA-N 331.322 3.231 30 40 EGEB COc1ccc(/C(O)=N/c2nc(-c3ccccc3Cl)n[nH]2)cn1 71851793 YKCXZSMBQROZRO-UHFFFAOYSA-N 329.747 3.165 30 40 EGEB Cc1nc(C(=O)N2CCN(CC3CC3)c3ccccc32)ccc1C#N 73304397 AYLJXPXGNUXVEB-UHFFFAOYSA-N 332.407 3.139 30 40 EGEB C=CCN(Cc1ccc(C#N)cc1)C(=O)c1ncoc1[C@H]1CCCO1 79357902 ACVQMKOLZYNEFJ-MRXNPFEDSA-N 337.379 3.226 30 40 EGEB CCOC(=O)On1c(SCCC(C)C)nc2ccccc2c1=O 35178122 CYHSMPWKABREQM-UHFFFAOYSA-N 336.413 3.120 30 40 EGEB CSc1ccccc1C(=O)OCC(=O)N(C)C1(C#N)CCCCC1 7431768 BOJZSADOSJUQJT-UHFFFAOYSA-N 346.452 3.250 30 40 EGEB COc1ccc(Cl)cc1NC(=O)CCNc1ccc(C#N)cn1 96447485 QPXGFXFBNUCINH-UHFFFAOYSA-N 330.775 3.056 30 40 EGEB O=C1Nc2ccc(Br)cc2/C1=N/c1ccc2c(c1)OCO2 17022926 VJVKYOFFNJXOFG-UHFFFAOYSA-N 345.152 3.251 30 40 EGEB N#Cc1ccc(CN2CC[C@H](COc3ccc(F)cn3)C2)c(F)c1 1889128206 STMDKIDMXJCCTC-AWEZNQCLSA-N 329.350 3.132 30 40 EGEB COc1ccc(C(=O)[C@@H](C#N)c2cc(OC)c(OC)c(OC)c2)cc1 96336534 ZROVILKKXRSBII-HNNXBMFYSA-N 341.363 3.211 30 40 EGEB COc1cc(C2=NC(C)(C)CC23C=CC(=O)C=C3)cc(OC)c1OC 4751375 JQJKPHPGHXJQLB-UHFFFAOYSA-N 341.407 3.365 30 40 EGEB N#Cc1cccnc1OC1CCN(C(=O)c2ccc(Cl)s2)CC1 96119295 IKPYVHYHYKZJPJ-UHFFFAOYSA-N 347.827 3.352 30 40 EGEB CC(C)(C)OC(=O)N1CCC(NC(=O)Nc2cccc(C#N)c2)CC1 40554022 BHEOOAFCFICRGW-UHFFFAOYSA-N 344.415 3.079 30 40 EGEB CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(C)c(F)c1 103504698 OASVWMCXUQCQSG-AWEZNQCLSA-N 340.354 3.494 30 40 EGEB COc1ccccc1OCCC(=O)OCc1ccc(C#N)cc1F 29868523 HSPZXVBGPYUSFA-UHFFFAOYSA-N 329.327 3.218 30 40 EGEB CCN(C(=O)c1cc(C#N)c(SC)nc1O)c1ccc(F)cc1 97046530 MLKJYYMQGCMYMV-UHFFFAOYSA-N 331.372 3.187 30 40 EGEB C[C@H](C#N)Sc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1 4494153 DKYPOPMUHOUZLG-BXUZGUMPSA-N 332.404 3.267 30 40 EGEB O=C(CON=C1c2ccccc2-c2ccccc21)NCc1ccco1 5460023 AKIXDHYTNUBIQQ-UHFFFAOYSA-N 332.359 3.345 30 40 EGEB C#CCN(Cn1nc(C(C)(C)C)ccc1=O)[C@H]1CCc2ccccc21 66792691 MAYVDPYOXMDXMM-SFHVURJKSA-N 335.451 3.121 30 40 EGEB COc1ccc(CN/N=C/c2cc3c(cc2Cl)OCO3)cc1OC 20196106 BZOXFXRXMIQLBQ-AWQFTUOYSA-N 348.786 3.210 30 40 EGEB N#C[C@H](C(=O)CNC(=O)CC1CCCCC1)c1nc2ccccc2o1 69697779 KEXLKZJBHFOPHJ-CQSZACIVSA-N 339.395 3.091 30 40 EGEB C[C@@H](CS(=O)(=O)Nc1nn(C(C)(C)C)cc1C#N)c1ccccc1 89642850 OBZIOMTUFFMIQM-ZDUSSCGKSA-N 346.456 3.055 30 40 EGEB CN(C[C@@H](C#N)CCC#N)C[C@@H]1C[C@H](F)CN1Cc1cccs1 512511635 JTDGDXZRMDEQOA-PMPSAXMXSA-N 334.464 3.036 30 40 EGEB N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@@H]1Cc2ccccc2O1 75299181 HTASWPIVOJAXSE-HBFSDRIKSA-N 332.403 3.288 30 40 EGEB C[C@H]1CCCN(CCCNC(=S)Nc2ccc(CC#N)cc2)C1 225736178 QLGYCFXHDCSUEK-HNNXBMFYSA-N 330.501 3.161 30 40 EGEB C=C(C)COCCNC(=O)Nc1c(F)cc(Br)cc1F 96475016 ANRGTQHDWQZIIN-UHFFFAOYSA-N 349.175 3.442 30 40 EGEB O=C(CCCC=C1CCN(C(=O)OCc2ccccc2)CC1)NO 257261868 LJCUPTDAIPRZCU-UHFFFAOYSA-N 332.400 3.021 30 40 EGEB N#Cc1ccc(CN2CCN(c3nc4ccccc4o3)CC2)c(F)c1 170942177 YKZUIQDIBWVYMO-UHFFFAOYSA-N 336.370 3.161 30 40 EGEB COc1cc(/C=N/NC(N)=S)ccc1OCc1cccc(Cl)c1 478830 JIBVFHQJLVHFGD-DJKKODMXSA-N 349.843 3.095 30 40 EGEB CC1=C/C(=N\OC(=O)c2ccc(Br)cc2)C(C)=CC1=O 5191670 VMECVHDGDNBVFT-GHRIWEEISA-N 334.169 3.437 30 40 EGEB N#Cc1ccccc1S(=O)(=O)N(Cc1ccccc1F)C1CC1 9723316 OLATXFOFYMNMHY-UHFFFAOYSA-N 330.384 3.051 30 40 EGEB C/C(O)=C1\C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Cl)cc1 102432815 IJCDYURUMCVGDX-SFKKXYGYSA-N 342.782 3.220 30 40 EGEB N#Cc1ccc(-c2ccco2)nc1SCC(=O)NC1CCCC1 12250976 KTBXWCIJROHWKK-UHFFFAOYSA-N 327.409 3.364 30 40 EGEB Cc1cc(=O)[nH]c(N/N=C2/C[C@@H](c3ccccc3)Oc3ccccc32)n1 34876973 IAQLIIYQCBKYHT-PAJXCOJRSA-N 346.390 3.418 30 40 EGEB C[C@](C#N)(NC(=O)CNc1ccc(F)c(C(F)(F)F)c1)C1CC1 58246462 FUIMFMYCLAHNAU-CQSZACIVSA-N 329.297 3.065 30 40 EGEB CCCCCCCCCCCNC(=O)[C@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)O 102182876 ZTMVRTJMXOQSMD-QAETUUGQSA-N 337.460 3.288 30 40 EGEB N#Cc1ccc(S(=O)(=O)/N=C(\O)C2CCCC2)c(C(F)(F)F)c1 58363803 NYCRHERLOYXEFF-UHFFFAOYSA-N 346.330 3.412 30 40 EGEB N#Cc1ccc(N2CCCN(c3nccc(C(F)(F)F)n3)CC2)cc1 52189397 UVGWEOOJRDLQCY-UHFFFAOYSA-N 347.344 3.084 30 40 EGEB N#Cc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2Cl)cc1 13172643 SUYMRKMHFYQMDH-HNNXBMFYSA-N 328.755 3.157 30 40 EGEB Cc1ccc(Cl)c2c1NC(=O)[C@@]2(O)CC(=O)/C=C/c1ccco1 4544879 DSKUMVGAJLCADI-FUTAKVPZSA-N 331.755 3.054 30 40 EGEB N#Cc1cnn(-c2ccc(C(=O)Nc3ccc4c(c3)CCC4)cc2)c1N 66239669 MKZXTRZCIKLHRJ-UHFFFAOYSA-N 343.390 3.067 30 40 EGEB Cc1ccc(N2C(=O)C[C@@H](C(=O)OCC#N)[C@@H]2c2cccs2)cc1 9539375 XWEUNSPWSBDCPE-RHSMWYFYSA-N 340.404 3.218 30 40 EGEB Cc1cccnc1CNC(=O)Nc1cc(C#N)ccc1OC(F)F 71857106 ULHGHEWVSNXDLZ-UHFFFAOYSA-N 332.310 3.185 30 40 EGEB N#C[C@H](NC(=O)Cc1coc(-c2cccs2)n1)c1ccsc1 71879497 NMCFDMZXQSQIDB-LBPRGKRZSA-N 329.406 3.388 30 40 EGEB C[C@@H](NCc1cccc(C#N)c1)c1ccc(N2CCN(C)CC2)cc1 71825376 ARKWIVUFJPGAKV-QGZVFWFLSA-N 334.467 3.161 30 40 EGEB N#Cc1ccc(NC(=O)CCNC2(c3ccccc3)CCOCC2)cc1 69739416 ROFSBNTVIZKVSK-UHFFFAOYSA-N 349.434 3.182 30 40 EGEB C=CCOc1ccc(NC(=O)Cc2ccc(OC)c(OC)c2)cc1 408573328 BIFQZTQVHFUBDW-UHFFFAOYSA-N 327.380 3.450 30 40 EGEB C[C@@H](c1nc2ccccc2s1)N1CCN(c2ccc(C#N)cn2)CC1 28742992 KWZJERSMKRFMSV-AWEZNQCLSA-N 349.463 3.446 30 40 EGEB N#CCc1cc(F)c(Br)c(I)c1 169797940 ARBZUVOHIQKQCP-UHFFFAOYSA-N 339.933 3.259 30 40 EGEB Oc1ccccc1/C=N/NC(=S)NC12CC3CC(CC(C3)C1)C2 16919407 DPPAMQMIUHIPLO-YBFXNURJSA-N 329.469 3.159 30 40 EGEB O=C1N/C(=N\c2ccccc2)S/C1=C\c1cc([N+](=O)[O-])ccc1O 18170084 XGGWRKHENGOXKF-ZROIWOOFSA-N 341.348 3.192 30 40 EGEB CC(=O)C1=C(C)Oc2nc(C)[nH]c(=O)c2[C@H]1c1ccc(Cl)cc1 15083780 OLODVAMUQZNOAE-AWEZNQCLSA-N 330.771 3.119 30 40 EGEB C=CCN(C(=O)CCNC(=O)c1ccc(F)cc1F)c1ccccc1 32753902 CVWYANNUIMKJGR-UHFFFAOYSA-N 344.361 3.304 30 40 EGEB C[C@H]1CCc2c(sc(NC(=O)CCN3CCSC3=O)c2C#N)C1 70707905 YJYLJIYBVKMGSB-JTQLQIEISA-N 349.481 3.242 30 40 EGEB CC(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 535238 IFMLKNGOPSNUJP-MRXNPFEDSA-N 338.319 3.084 30 40 EGEB N#Cc1c(F)cccc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 26714251 PQWVFFGFPIBKSU-UHFFFAOYSA-N 341.361 3.235 30 40 EGEB N#CCC(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCCC2 53944051 BHBAIHFGVJUSMW-UHFFFAOYSA-N 343.408 3.002 30 40 EGEB CC(C)n1cc(C#N)c(NC(=O)N(C)C[C@H](C)c2nccs2)n1 97107509 NBSFLDFPVQLENW-NSHDSACASA-N 332.433 3.060 30 40 EGEB COc1cc(C(=O)/C=C/c2ccc(C)s2)ccc1OCC(=O)O 5156366 LCFOXJJHMUVQBW-VOTSOKGWSA-N 332.377 3.425 30 40 EGEB Cn1cc(/C=C/C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cn1 66391832 NZGYWZJFAWZSEE-GFUIURDCSA-N 335.194 3.121 30 40 EGEB C[C@@H]1CN(C(=O)NCC#Cc2ccccc2)C[C@@H](c2ccccc2)O1 67591316 FFSWFECADFKSLP-XLIONFOSSA-N 334.419 3.210 30 40 EGEB c1ccc2c(c1)CCCN2CCON=C1CCC2(CC1)OCCO2 95981999 FQWHCQYDIQLOFD-UHFFFAOYSA-N 330.428 3.129 30 40 EGEB Cn1ccnc1[C@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1 9908763 ZOPVWDTWWBJFGX-QGZVFWFLSA-N 333.351 3.401 30 40 EGEB N#Cc1nc(Cc2cccc3ccccc23)oc1N1CCC[C@H](O)C1 72427579 DTOIYCUNKWUFJS-INIZCTEOSA-N 333.391 3.251 30 40 EGEB C=CCO[C@H]1CC[C@H]2[C@@H]1OCCN2C(=O)c1ccc(F)c(Cl)c1 96041357 GCQLGWPLMNPDTN-JYJNAYRXSA-N 339.794 3.054 30 40 EGEB O=C1Nc2ccccc2/C1=N/N=C/c1cc(Cl)cc(Cl)c1O 160830 COMKYRMEPIKBDA-CNHKJKLMSA-N 334.162 3.474 30 40 EGEB CO/N=C1\C[C@@H](C)Cc2c1c(-c1ccc(OC)c(OC)c1)nn2C 5211815 SVAIKXZNZGDSLC-UGFZFLEUSA-N 329.400 3.037 30 40 EGEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@@H]2c1ccc(O)cc1 12347436 XJAUHDDFCOIMSM-CYBMUJFWSA-N 325.368 3.022 30 40 EGEB C=CCNC(=O)c1ccccc1NC(=O)COc1cc(C)cc(C)c1 13995673 SJVYWVYSMUFBOG-UHFFFAOYSA-N 338.407 3.237 30 40 EGEB CC[C@H](Sc1nc(C)cc(C)n1)C(=O)Nc1ccccc1C#N 74628 BAJJJVAMGZBOAB-HNNXBMFYSA-N 326.425 3.475 30 40 EGEB N#CCCN(C(=O)COC(=O)c1ccc(Cl)cc1)c1ccccc1 3313032 UVADNORQKAOENV-UHFFFAOYSA-N 342.782 3.444 30 40 EGEB C/C(CC(=O)C(F)(F)F)=N/C[C@H](C)/N=C(/C)CC(=O)C(F)(F)F 104327373 VNLNAOXDCUNKIA-IPQARSPLSA-N 346.271 3.340 30 40 EGEB C[C@@H]1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1 71847886 MSYBVTOGNMKTJY-GDBMZVCRSA-N 348.468 3.073 30 40 EGEB N#Cc1c(N)nc2c(c1N)[C@@H](c1ccccc1)c1ccc(O)cc1O2 19933182 XMRBLOXLWFQYBB-HNNXBMFYSA-N 330.347 3.109 30 40 EGEB COc1ccc(N2CCCN(C(=O)C3(C#N)CCCCC3)CC2)cc1 57397113 CIZPNLIKCUTDTF-UHFFFAOYSA-N 341.455 3.208 30 40 EGEB CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccnc(-n2ccnc2)c1 58092923 KIXDYPFSVMKNDB-UHFFFAOYSA-N 345.406 3.191 30 40 EGEB CC(C)c1ccc(-c2nc(C(=O)n3ncc(C#N)c3N)cs2)cc1 58407015 LERJMMTUVAZDAB-UHFFFAOYSA-N 337.408 3.272 30 40 EGEB CCOc1ccc(NC(=O)COc2ccc(C#N)cc2)cc1OCC 12856324 HLGQHHBBSTVMGS-UHFFFAOYSA-N 340.379 3.373 30 40 EGEB COc1ccc(-c2nn(CCC#N)cc2C(=O)OC(C)C)cc1OC 4516892 ZMQKVNRNMWUNOZ-UHFFFAOYSA-N 343.383 3.046 30 40 EGEB Cn1c(-c2ccccc2)nnc1[C@H](C#N)C(=O)c1ccc2c(c1)CCC2 66548691 JFRFTASUJMXEID-GOSISDBHSA-N 342.402 3.461 30 40 EGEB N#Cc1ccc(NCC(=O)N2CCC(c3ccc(O)cc3)CC2)cc1 95377474 IVEVVVBXODWTAB-UHFFFAOYSA-N 335.407 3.082 30 40 EGEB CCOC(=O)c1cccc(/N=C\c2ccc(O[C@H](C)C(=O)O)cc2)c1 408819986 SIIWAVGKWIPHSF-UAAGNOOKSA-N 341.363 3.466 30 40 EGEB Cc1cc(S(=O)(=O)/N=C(\O)[C@@H]2C[C@@H]2C)sc1Br 84852182 NNZGEAXYJAQPCL-CAHLUQPWSA-N 338.248 3.120 30 40 EGEB C[C@H](C(=O)Nc1ccc(-n2ncc(C#N)c2N)cc1)c1ccsc1 95399261 NLUPYUICTBLNLB-NSHDSACASA-N 337.408 3.130 30 40 EGEB Cc1cc(N2CCC(C(=O)c3ccc(O)cc3)CC2)c(C#N)c(C)n1 96484219 YVCWBYVJCSGENX-UHFFFAOYSA-N 335.407 3.375 30 40 EGEB COc1cc(OC)c(C(=O)/C=C\c2ccccc2O)c(O)c1OC 17148434 NOXIUTJZGRBUFK-HJWRWDBZSA-N 330.336 3.020 30 40 EGEB C=CCn1c(SCc2cccc(F)c2)nnc1-c1cnccn1 352132 PMTUBPJLRHSJLI-UHFFFAOYSA-N 327.388 3.353 30 40 EGEB CC(=O)N1CCc2ccccc2[C@H]1CC(=O)Nc1sccc1C#N 102721947 JBXLMAKLBKJZMO-MRXNPFEDSA-N 339.420 3.094 30 40 EGEB N=C1C(c2nc3ccccc3s2)=C(O)CN1/N=C/c1ccncc1 102728379 FLWMBPAUQWZTGL-ZMHJNSJFSA-N 335.392 3.287 30 40 EGEB COc1c2c(cc3c1[C@H]([C@H](C#N)c1ccccc1)N(C)CC3)OCO2 102808198 ZFNRSRSOZRYKBW-QAPCUYQASA-N 336.391 3.260 30 40 EGEB biogenic N#Cc1ccc(N2CCC(C(=O)OCc3cccc(F)c3)CC2)nc1 22226248 FKZXUFGTZYAFPM-UHFFFAOYSA-N 339.370 3.052 30 40 EGEB COc1ccc([C@@H]2CCCN2CC(=O)Nc2sccc2C#N)cc1 25415067 GLWWSCIYEHVQPB-INIZCTEOSA-N 341.436 3.404 30 40 EGEB N#Cc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1 10544436 XBUOWVQUBRCNGF-INIZCTEOSA-N 330.391 3.454 30 40 EGEB N#Cc1ccc([C@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc1 9156025 UAOFXOQZQYZNOE-APWZRJJASA-N 333.391 3.304 30 40 EGEB O=[N+]([O-])c1ccc(N/N=C\c2ccc(N3CCCCC3)cc2)nc1 408909636 HWMAYJASIYZYMI-UNOMPAQXSA-N 325.372 3.426 30 40 EGEB C(=N/Nc1ccc2nncn2n1)\c1ccc(OCc2ccccc2)cc1 4939274 HPOATXXXRWPVBZ-UDWIEESQSA-N 344.378 3.149 30 40 EGEB N#CCN(CC#N)C(=O)CCN1CCC[C@H]1c1cccc2ccccc12 69419646 AXQLWRJACBCNCN-FQEVSTJZSA-N 346.434 3.243 30 40 EGEB C[C@H](C#N)CSc1ccccc1NCC(=O)N[C@](C)(C#N)C1CC1 69704043 MYVOXTJNBNPEQY-FZKQIMNGSA-N 342.468 3.159 30 40 EGEB Cc1c(/C=C2\N=C(c3ccccc3Cl)OC2=O)cc(C#N)n1C 96634998 BVDLGUQPBSMMNY-NVNXTCNLSA-N 325.755 3.203 30 40 EGEB C=CCn1c(COc2cccc(Br)c2)n[nH]c1=S 26468955 WRRGEJNMGMAJPF-UHFFFAOYSA-N 326.219 3.468 30 40 EGEB O=c1ccccn1C[C@@H](/N=C(/O)Cc1ccccc1O)c1ccccc1 330032913 URQWDXWKNRZLNW-GOSISDBHSA-N 348.402 3.494 30 40 EGEB C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@]43CO)[C@H]1CC[C@H]2C(=O)O 254445744 BLYFONBCAVAHLI-KHKZNYETSA-N 332.440 3.192 30 40 EGEB C#CCN(Cc1ccccc1)[C@@H]1CC[C@@H](N(C)Cc2ccccc2)[C@H]1O 585172049 WIHRTNDXOKXZJW-DNVJHFABSA-N 348.490 3.146 30 40 EGEB CCOC(=O)c1cc(-c2ccc(/C=N/n3cnnc3)o2)ccc1Cl 293612 CKULKCOMIUQYDK-DNTJNYDQSA-N 344.758 3.250 30 40 EGEB N#Cc1c(NC(=O)Cc2ccc3c(c2)OCO3)sc2c1CCC2 9521366 JMTHGZHGJHWDLL-UHFFFAOYSA-N 326.377 3.018 30 40 EGEB COc1cccc2c(C[C@H](C#N)C(=O)NCCc3ccccc3)c[nH]c12 40288039 RJNPKQSBAMPCHW-MRXNPFEDSA-N 347.418 3.218 30 40 EGEB N#Cc1ccc(CN2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1 20533445 LBPXWCGVFLGMMF-UHFFFAOYSA-N 339.826 3.170 30 40 EGEB C=C(C)CN1CCN(C(=O)c2c(C)c3cc(C)ccc3n2C)CC1 57811689 UKYHIVNTPSXRFO-UHFFFAOYSA-N 325.456 3.129 30 40 EGEB CC(=O)Nc1ccc(C(=O)/N=C(/C2CCCC2)N2CCCC2)cc1 104090340 TXQNLZRBBMSPKA-UZYVYHOESA-N 327.428 3.470 30 40 EGEB CC(=O)c1cc(CCC(=O)OCCOc2ccc(C#N)cc2)oc1C 29743287 WRFPDDAUDOUMJZ-UHFFFAOYSA-N 341.363 3.217 30 40 EGEB C=CCc1ccc(OCC(=O)NCc2cccc(OC)c2)c(OC)c1 9691066 XICYSWSTSCBZPC-UHFFFAOYSA-N 341.407 3.128 30 40 EGEB N#Cc1ccc(S(=O)(=O)CCSc2nc3ccccc3[nH]2)cc1 75093561 FHJWHDTVODRKMB-UHFFFAOYSA-N 343.433 3.001 30 40 EGEB COc1ccc(C2=C/C(=N/Nc3cccc(C)c3)C(=O)O2)c(OC)c1 408727312 ZUUVHDGEOSKJDK-PGMHBOJBSA-N 338.363 3.378 30 40 EGEB C=CCOc1ccc(NS(=O)(=O)c2ccc(OCC)cc2)cc1 223637828 HQXDIDZXUFEVKZ-UHFFFAOYSA-N 333.409 3.451 30 40 EGEB C=C(Cl)CN1CCC(C(=O)Nc2cccc(NC(C)=O)c2)CC1 95431923 DZAFZCVGYDXJEZ-UHFFFAOYSA-N 335.835 3.048 30 40 EGEB C[C@@H](Nc1ncc(C#N)c2ccsc12)c1nc(C(F)(F)F)n[nH]1 1652273810 ZWUFUCWALGSNDD-ZCFIWIBFSA-N 338.318 3.478 30 40 EGEB C=CCn1c2cc(C)sc2c2cnn(Cc3cccnc3)c(=O)c21 12113509 MBOPQSQXQLXTBT-UHFFFAOYSA-N 336.420 3.350 30 40 EGEB CSc1nc2n(n1)[C@H](c1ccccc1)C1=C(C[C@H](C)CC1=O)N2 14164823 XSIVVLIVQSVRMM-ZUZCIYMTSA-N 326.425 3.268 30 40 EGEB C=CCNc1nc(C(=O)OCc2nnc(-c3ccccc3)o2)cs1 3601517 CSWVGHKYEWNTRO-UHFFFAOYSA-N 342.380 3.148 30 40 EGEB CNc1nnc(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)s1 7102215 BBJHFKNJSGVLDH-NSHDSACASA-N 347.469 3.007 30 40 EGEB C/C(=N\Nc1ccccc1C(=O)O)c1cccc(N2CCCC2=O)c1 13459641 GOLNZIMBMPOYJG-DEDYPNTBSA-N 337.379 3.348 30 40 EGEB CCc1ccccc1N1C[C@@H](C(=O)Nc2ccccc2C#N)CC1=O 20371815 JTTDQZDOLCAONY-INIZCTEOSA-N 333.391 3.112 30 40 EGEB CCOc1ccc(OCCO/N=C/c2ccccc2[N+](=O)[O-])cc1 20887477 WGJYYXRXTRYPRE-QGOAFFKASA-N 330.340 3.423 30 40 EGEB O=C(O)COc1ccc(/C=N/c2ccc(C(=O)O)cc2)cc1Cl 59303162 WFRRMGSNYXUSTD-QGMBQPNBSA-N 333.727 3.252 30 40 EGEB COc1ccc(NC(=O)[C@@H](C#N)C(=O)C[C@H]2CCc3ccccc32)cc1 102752389 VSFSLXWXORNDSR-BEFAXECRSA-N 348.402 3.463 30 40 EGEB O=C1CCCC2=C1[C@@H](c1cccs1)c1c([nH]c(=S)[nH]c1=O)N2 44973863 LYUAULAOBACAPB-LLVKDONJSA-N 331.422 3.058 30 40 EGEB O=S(=O)(Cc1ccc(F)cc1)NN=C1C2CC3CC(C2)CC1C3 64925266 PFGLAIJZIGVZRB-UHFFFAOYSA-N 336.432 3.057 30 40 EGEB CCn1c(SCC(=O)c2ccc(C#N)cc2)nnc1-c1ccco1 14186030 KAIIGLCCMAVIQS-UHFFFAOYSA-N 338.392 3.405 30 40 EGEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(Br)s2)nc1 4739603 OQIXPEYPPBHHHU-AWNIVKPZSA-N 327.163 3.260 30 40 EGEB COc1ccc(C(=O)OCc2cn3ccccc3c2C#N)cc1OC 14858142 OZJZGAWOOIFIEU-UHFFFAOYSA-N 336.347 3.185 30 40 EGEB O=C1CC(c2ccc(Cl)cc2)CC(=O)C1=C1N[C@H]2CCCC[C@@H]2N1 9287802 IGNRUTCYCVQHFM-GJZGRUSLSA-N 344.842 3.071 30 40 EGEB Cc1ccccc1/N=C1\NC(=O)[C@@H](Cc2cccc([N+](=O)[O-])c2)S1 5533745 BYNQZNQSIHQZNK-OAHLLOKOSA-N 341.392 3.365 30 40 EGEB C[C@@H](O/N=C/C(=O)Nc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 96967894 ZPXCWCQIPBQHEQ-VDCVXVNISA-N 331.303 3.436 30 40 EGEB C=CCN1C(=O)CCC[C@@]12CCCN(C(=O)CCc1ccccc1)C2 96229914 GTMRHYMTAVKRJI-NRFANRHFSA-N 340.467 3.179 30 40 EGEB Cc1ccc(S(=O)(=O)/N=C(\O)[C@H]2C[C@@H]2c2ccco2)cc1N(C)C 96475768 AZEMSEPEEOSNRW-KBPBESRZSA-N 348.424 3.103 30 40 EGEB N#Cc1cccc(NC(=O)NCc2cccnc2N2CCCCC2)c1 65565009 LRNMAOIKQCWKPT-UHFFFAOYSA-N 335.411 3.265 30 40 EGEB CCC[C@@H]1CCCN(C(=O)c2cc(C#N)c(SC)nc2O)CC1 84740739 ZCRONHKZRWHIFE-GFCCVEGCSA-N 333.457 3.423 30 40 EGEB N#Cc1cc(N2CC[C@@H](c3ccncc3)C2)ncc1Br 603404418 YPVFDVKKXOJOEF-GFCCVEGCSA-N 329.201 3.105 30 40 EGEB Cc1nn(-c2ccccc2)c(O)c1/C=C1\C(=O)ON=C1c1ccccc1 4604652 ZDBVNARNGFJHFJ-ATVHPVEESA-N 345.358 3.231 30 40 EGEB Cc1ccc(NC(=O)c2sc3nc(N)c(C#N)cc3c2N)c(C)c1 20057447 VMRSNDHQUHRVML-UHFFFAOYSA-N 337.408 3.202 30 40 EGEB C=CCc1cccc2cc(C(=O)NCc3ccc(OC)cc3)c(=O)oc12 795259 UXRBRKVVNVOZTB-UHFFFAOYSA-N 349.386 3.460 30 40 EGEB C[C@@H](S[C@@H]1CCCN(c2cnn(C)c2)C1=O)c1ccc(C#N)cc1 78936080 DOQDBIYAYFVCAP-CXAGYDPISA-N 340.452 3.282 30 40 EGEB COc1cc(/C=N/Nc2nc3ccccc3n2C)cc(Cl)c1O 52412215 CKKXTKNNMDGVHQ-GIJQJNRQSA-N 330.775 3.387 30 40 EGEB O=C(C[n+]1ccc(-c2ccccc2)cc1)Nc1ccc([N+](=O)[O-])cc1 3900523 CGNSKSBVHWQHKK-UHFFFAOYSA-O 334.355 3.188 30 40 EGEB C[C@@H](C#N)Sc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1 4494150 DKYPOPMUHOUZLG-FZMZJTMJSA-N 332.404 3.267 30 40 EGEB CC(C)c1n[nH]c(C(=O)NCc2cccc(C#N)c2)c1Br 69780630 DUCZGEXBMLQLAX-UHFFFAOYSA-N 347.216 3.097 30 40 EGEB CCc1cc(-n2cc([N+](=O)[O-])cn2)n2c(nc3ccccc32)c1C#N 72310933 PECJAQBIFFJOEU-UHFFFAOYSA-N 332.323 3.015 30 40 EGEB COc1cc(OC)c([N+](=O)[O-])cc1/C=C1\Cc2ccccc2C1=O 409372820 NSRQQJGIDVVOIP-MDWZMJQESA-N 325.320 3.434 30 40 EGEB COc1ccc(Cn2nc(OCc3cccc(C)c3)c(C#N)c2N)cc1 225848038 IMNIRJWQSQDIAE-UHFFFAOYSA-N 348.406 3.281 30 40 EGEB Cc1ccccc1N/N=C1\C(=O)N(C2CSC2)c2ccc(F)cc21 223753371 HMBQVTLZHGQGGQ-FXBPSFAMSA-N 341.411 3.412 30 40 EGEB COc1ccc(-c2nc(CCNC(=O)c3cccc(C#N)c3)co2)cc1 69488016 WZMGALUXJMVFOZ-UHFFFAOYSA-N 347.374 3.194 30 40 EGEB Cc1ccc(C)c(S(=O)(=O)/N=C(\O)c2c(C)noc2C(C)C)c1 48471999 FQAKCWLIDMCROZ-UHFFFAOYSA-N 336.413 3.417 30 40 EGEB CC(=O)/C(=C/N=C(\S)Nc1ccccc1)C(=O)Nc1ccccc1 18210134 PGVUUUULSRAGKU-VBKFSLOCSA-N 339.420 3.496 30 40 EGEB Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(CCCC#N)c3ccccc32)cc1 4166038 CCDRWGDFJKWCPL-NRFANRHFSA-N 348.402 3.106 30 40 EGEB C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C=C[C@@H]2[C@H]1CO1 4744102 RJGSCPUIDCIOCH-LDGASQGZSA-N 326.436 3.056 30 40 EGEB C=CCOc1ccc(NS(=O)(=O)c2ccc(OC)c(C)c2)cc1 408630208 PKSOEOYDFZUVOD-UHFFFAOYSA-N 333.409 3.369 30 40 EGEB Cc1csc([C@H](C#N)C(=O)c2ccc(NC(=O)NC3CC3)cc2)n1 48789204 JZEWOYDWUUPDJZ-CQSZACIVSA-N 340.408 3.226 30 40 EGEB CC(C)n1ncc([C@@H](C#N)c2nc3ccccc3n2C)c(Cl)c1=O 9059775 INKHCGRDKNHZGZ-LLVKDONJSA-N 341.802 3.020 30 40 EGEB CN1/C(=C\C(=O)CSc2ncccn2)C(C)(C)c2ccccc21 39582923 ZIRWDTFCESPZDO-WJDWOHSUSA-N 325.437 3.449 30 40 EGEB N#C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1c(F)cccc1Cl 69707716 HBGVRVUMJDVHMP-CYBMUJFWSA-N 347.733 3.311 30 40 EGEB C[C@H](Sc1ncn(-c2ccccc2)n1)C(=O)Nc1ccc(C#N)cc1 8748432 AMMGCONSYFXHME-ZDUSSCGKSA-N 349.419 3.258 30 40 EGEB C[C@@H](NC[C@H](O)c1ccc(C#N)cc1)c1cccc(N2CCCC2=O)c1 95984702 YLWMDMVMKIGERO-QRWLVFNGSA-N 349.434 3.069 30 40 EGEB CN(C(=O)Nc1cccc(C#Cc2ccccn2)c1)[C@@H]1CCSC1 89335207 QFOKZVYYHZFXRZ-GOSISDBHSA-N 337.448 3.451 30 40 EGEB N#C[C@H](C(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1ccc2ccccc2n1 89873129 RGTXGXKAEROICO-IRXDYDNUSA-N 347.418 3.060 30 40 EGEB CCn1c(N/N=C/c2cc([N+](=O)[O-])ccc2O)nc2ccccc21 408692700 SJLOGUDXJBVPFG-LICLKQGHSA-N 325.328 3.116 30 40 EGEB Cc1cc(OCC2CCN(c3ncc(C#N)cc3Cl)CC2)ncn1 1565520697 HEMPEBGPDHKLIQ-UHFFFAOYSA-N 343.818 3.001 30 40 EGEB N#Cc1cccc(NC(=O)c2cn3c4c(cccc4c2=O)CCC3)c1 225859935 HRGWABXEUUDLMI-UHFFFAOYSA-N 329.359 3.072 30 40 EGEB CC[C@@H](c1ccc(F)cc1F)N1CCN(C[C@H](C#N)CCC#N)CC1 96435786 XEGLUJJNSZJOGY-KXBFYZLASA-N 346.425 3.477 30 40 EGEB COc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 106586497 XMDSOCRFAUMPEF-KRXBUXKQSA-N 328.280 3.408 30 40 EGEB COc1c(C)cccc1C(=O)NC(=S)Nc1ccccc1C#N 9064053 IXEUDNHCLZQYTL-UHFFFAOYSA-N 325.393 3.002 30 40 EGEB O=[N+]([O-])c1ccc(CS(=O)(=O)NN=C2CCCCCCC2)cc1 58200337 BOMUHEATSPFTAH-UHFFFAOYSA-N 339.417 3.115 30 40 EGEB Cc1c(C#N)c(NC(=O)COc2ccccc2)n(-c2ccccn2)c1C 9060818 MPYSTZREIUJPAJ-UHFFFAOYSA-N 346.390 3.378 30 40 EGEB Cc1cccc(C)c1C/C(O)=N/S(=O)(=O)c1cncc(Cl)c1 97147587 UTCXYFCRTUDLPT-UHFFFAOYSA-N 338.816 3.240 30 40 EGEB CC(C)(C)CN(CCC#N)C(=O)c1ccc(-c2ccco2)[nH]c1=O 69896750 NGDOJFPYHBMKRK-UHFFFAOYSA-N 327.384 3.037 30 40 EGEB N#CCN(CC#N)C(=O)c1cccc(Oc2ccc(Cl)cc2)n1 95411715 XHFUDHVAFSQNBU-UHFFFAOYSA-N 326.743 3.017 30 40 EGEB C#CCOc1ccc(CNc2cccc(C(=O)O)c2)cc1OCC 408614205 ZSQBQUNPWCMOAS-UHFFFAOYSA-N 325.364 3.408 30 40 EGEB CC1=C2[C@@H]3O[C@@]34CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]4[C@@H]3O[C@]23OC1=O 1529053576 SOVOCMGDFRGRKF-YUBPWDQPSA-N 330.424 3.349 30 40 EGEB COc1ccc(CCNC(=S)Nc2ccc(CC#N)cc2)cc1 18145498 BHDXWOJEZDRWKZ-UHFFFAOYSA-N 325.437 3.290 30 40 EGEB COc1ccc([C@@H]2CC(=O)OC3=C2C(=O)c2ccccc2C3=O)cc1 100791457 REMSPDLOLHDHGA-HNNXBMFYSA-N 334.327 3.059 30 40 EGEB biogenic COC(=O)[C@@H](C#N)c1nc2ccccc2nc1Oc1cccc(F)c1 51114356 JOFNBXXOCGRWBN-ZDUSSCGKSA-N 337.310 3.341 30 40 EGEB COc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2O)cc1OC 4919547 BOYAGHNMYQPGKZ-VMPITWQZSA-N 344.363 3.323 30 40 EGEB N#Cc1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 6270365 OMFHWJASNTWTLB-UHFFFAOYSA-N 337.198 3.122 30 40 EGEB O=S(=O)(/N=C(\O)C1CCCCC1)c1ccc2c(c1)OCCCO2 42338904 YTOFZQJPAQYHBM-UHFFFAOYSA-N 339.413 3.073 30 40 EGEB C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC1CCN(C)CC1 71916276 WWBVRZOVPRXDIB-UHFFFAOYSA-N 342.361 3.094 30 40 EGEB N#CCCN(Cc1cccnc1)C(=O)c1cc(Cl)c2c(c1)OCO2 58433303 ZXDGDCCVXQCLCD-UHFFFAOYSA-N 343.770 3.020 30 40 EGEB CSc1nc(O)c(C(=O)N2CC[C@H](C)[C@H]3CCCC[C@@H]32)cc1C#N 84697858 YIEJHRYILFGJAW-LNSITVRQSA-N 345.468 3.422 30 40 EGEB CCOc1ccccc1CC/C(O)=N/c1nc(C(F)(F)F)n[nH]1 36744278 KZZMGODVYHPJJE-UHFFFAOYSA-N 328.294 3.443 30 40 EGEB N#CCOc1ccc(NC(=O)CCCc2nc3ccccc3[nH]2)cc1 29054875 DBZBFKCTIUUUCR-UHFFFAOYSA-N 334.379 3.427 30 40 EGEB C[C@H]1CCCN(C(=O)C2CCN(Cc3cc(C#N)ccc3F)CC2)C1 45804423 VLVMUVNZJWPWSD-HNNXBMFYSA-N 343.446 3.168 30 40 EGEB C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1N1CCCC1=O 12991607 SHUZGHSMAKYNBL-AWEZNQCLSA-N 349.390 3.091 30 40 EGEB CC(C)n1ncc([C@H](C#N)c2nc3ccccc3n2C)c(Cl)c1=O 9059776 INKHCGRDKNHZGZ-NSHDSACASA-N 341.802 3.020 30 40 EGEB CC(C)[C@H](NS(=O)(=O)c1ccccc1C#N)c1ccc(F)cc1 14185944 HUYWSMAAKGGJDH-KRWDZBQOSA-N 332.400 3.373 30 40 EGEB N#Cc1ccc(-c2nnc(Cn3ccc4sccc4c3=O)o2)cc1 96001670 IEEWOEYIHJDMCG-UHFFFAOYSA-N 334.360 3.033 30 40 EGEB C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCCCCC1=O 66801108 BDNMMCIZFWTBJW-AWEZNQCLSA-N 345.468 3.422 30 40 EGEB C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(C[C@@H](C#N)CCC#N)C1=O 7201643 VLHQFJRKXPTZDF-VLIAUNLRSA-N 346.390 3.050 30 40 EGEB Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NCC(=O)NCC#N 97112160 TXZMLORGVKDPOG-JTQLQIEISA-N 348.859 3.062 30 40 EGEB COc1ccsc1C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 78557109 SOKLRZMZOINYPH-UHFFFAOYSA-N 342.420 3.312 30 40 EGEB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](C=O)[C@H]2c2cccc(Cl)c2)cc1 242543524 KDSOTXVWVURBCP-BRWVUGGUSA-N 334.824 3.403 30 40 EGEB C#CC[C@@H](NC(=O)c1ccc(Cn2cccn2)cc1)c1ccccc1 89261539 AWQGMIDMSQJJOH-HXUWFJFHSA-N 329.403 3.426 30 40 EGEB COc1ccc(-c2nnc(S)n2/N=C\c2sccc2C)cc1 1241358 FOQNPVOBKUGBEX-SXGWCWSVSA-N 330.438 3.495 30 40 EGEB N#CCCN(C(=O)COC(=O)/C=C/c1ccccc1)c1ccccc1 3263103 ZVHHTSPSEFBMBC-OUKQBFOZSA-N 334.375 3.190 30 40 EGEB Cc1ccc2nc(SCc3ccccc3)c(/C=N/O)c(=O)n2c1 46530 QYBDDEJVQOIOOJ-GIJQJNRQSA-N 325.393 3.103 30 40 EGEB COc1ccc2c(c1)/C(=N/O)C[C@H](c1ccc3c(c1)OCCO3)O2 138862 JMXDIOXXKGVCPY-GMYFBSLISA-N 327.336 3.169 30 40 EGEB C[C@H](Nc1ccc2c(c1)OCCCO2)C(=O)Nc1ccccc1C#N 33040061 FKYACKKUBWHYBV-ZDUSSCGKSA-N 337.379 3.159 30 40 EGEB CC(=O)Nc1ccc(F)c(NC(=O)NCc2cc(C#N)ccc2F)c1 76069080 IDNDOGWQSJVRQJ-UHFFFAOYSA-N 344.321 3.117 30 40 EGEB N#Cc1ccc(CSc2nnc(-c3cccc(Cl)c3)n2N)cc1 3472166 OUKNNLFGJVISGQ-UHFFFAOYSA-N 341.827 3.476 30 40 EGEB C#CCOc1ccc(/C=N/NCc2ccc(Cl)cc2)cc1OC 10119045 FVKZNXSHUILMHR-FYJGNVAPSA-N 328.799 3.484 30 40 EGEB CC(C)[C@](C)(C#N)NC(=O)CN(Cc1ccccc1)Cc1ccco1 42979147 CMWMEMRVEMVMOA-FQEVSTJZSA-N 339.439 3.336 30 40 EGEB O=C1CC(c2ccc(Cl)cc2)CC(=O)C1=C1N[C@@H]2CCCC[C@H]2N1 9287805 IGNRUTCYCVQHFM-HUUCEWRRSA-N 344.842 3.071 30 40 EGEB O=C(/C=C/c1cccs1)c1ccc(S(=O)(=O)N2CCCC2)cc1 6322520 KWPBAZYUWIGNJX-JXMROGBWSA-N 347.461 3.429 30 40 EGEB N#CC1(C(=O)N[C@H]2C(=O)Nc3c2ccc(Cl)c3Cl)CCCC1 72275306 NLHLTURAGVUCPY-GFCCVEGCSA-N 338.194 3.187 30 40 EGEB C#CCN(C(=O)c1csc(-c2cnccn2)n1)C1CCCCC1 69656391 DVSMVQUZFZMLOF-UHFFFAOYSA-N 326.425 3.008 30 40 EGEB Cc1cccc(N(CCC#N)C(=O)c2cc3ccccc3c(=O)[nH]2)c1 69740577 BNIBHXNDIATPCP-UHFFFAOYSA-N 331.375 3.397 30 40 EGEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCc2[nH]c3ccccc3c2C1 9901735 CQRJAADHSZXKIF-AWEZNQCLSA-N 345.402 3.392 30 40 EGEB C=C(C)COc1ccc([C@@H]2CC(=O)Oc3cc(C)n(C)c(=O)c32)cc1 524734797 PKZLQJMZIBDTFY-INIZCTEOSA-N 339.391 3.090 30 40 EGEB Cc1ccc2nc(SCC(=O)NC3(C#N)CCCCC3)[nH]c2c1 6908870 NJFGOEULUMMBJZ-UHFFFAOYSA-N 328.441 3.306 30 40 EGEB Cc1ccc(S(=O)(=O)OC[C@]23CC[C@](C)([C@@H](O)C2)C3(C)C)cc1 216341947 ZFXRPTRISLWUBJ-JQHSSLGASA-N 338.469 3.278 30 40 EGEB O=c1c2[nH]c3ccc(Cl)cc3c2ncn1/N=C/c1ccc(O)cc1 545881 LKMYJAQRRXWVKQ-DNTJNYDQSA-N 338.754 3.119 30 40 EGEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCc4ccccn4)[C@H]3C[C@@H]12 12659958 BFJNQCPSOZSEFY-WVXKDWSHSA-N 340.467 3.485 30 40 EGEB biogenic C#CCOc1ccc2ccccc2c1/C=C1/S/C(=N\C)N(C)C1=O 6303154 GYSIBJWIMJIDCS-QHHAONBESA-N 336.416 3.384 30 40 EGEB CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(F)cc1 103504656 LXAALJMFOKJKPX-CQSZACIVSA-N 326.327 3.186 30 40 EGEB N#Cc1cccc(CN2CC[C@@]3(CCC[C@@H]3C(=O)N3CCCC3)C2)c1 108530939 CMUWENPYCUBDHO-CTNGQTDRSA-N 337.467 3.173 30 40 EGEB C=C(C)c1cccc(C(C)(C)NC(=O)NC2=NC(=O)[C@H](C(C)C)O2)c1 14247094 HOYZHKAEXQCFQY-HNNXBMFYSA-N 343.427 3.191 30 40 EGEB CCOc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)c(O)c1 4663480 AESMJBULZCGUSJ-XSFVSMFZSA-N 326.396 3.378 30 40 EGEB C=CCCC(=O)N[C@H](CC(=O)O)c1cccc(Br)c1 95969853 WWWHDTHSIMFXMW-GFCCVEGCSA-N 326.190 3.047 30 40 EGEB C=C1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1cc(Cl)ccc1OC 660069084 XPFBRVLRILOYJS-BETUJISGSA-N 327.833 3.220 30 40 EGEB CCCCCCCc1nnc(SCC(=O)N2CCCCC2)n1C 408561057 XICKMOHOOUHKRR-UHFFFAOYSA-N 338.521 3.433 30 40 EGEB N#Cc1ccc(CCC(=O)NCc2cncc(-c3cccnc3)c2)cc1 675008236 KWQDRGJDEVFDSP-UHFFFAOYSA-N 342.402 3.264 30 40 EGEB O=C[C@@H]1[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 225629926 WSYOKIMEHMNARE-BZUAXINKSA-N 338.787 3.234 30 40 EGEB C=CCN1CC[C@@H](Sc2nnc(NCc3ccccc3)s2)C1=O 225569396 YRXYOKVITABFGT-CYBMUJFWSA-N 346.481 3.029 30 40 EGEB Cc1cc(C(=O)N(CCC#N)C2CC2)c2c(-c3ccco3)noc2n1 97212579 RIXJPTIUBNGKBU-UHFFFAOYSA-N 336.351 3.310 30 40 EGEB N#Cc1c(Br)nc(-c2cccc(Cl)c2)c(C#N)c1N 78549686 LYBDLYSEDWHUJN-UHFFFAOYSA-N 333.576 3.490 30 40 EGEB N#Cc1ccc(NC(=O)NCC2(N3CCSCC3)CCCC2)cc1 31096579 NHKFAIZJORPBFM-UHFFFAOYSA-N 344.484 3.041 30 40 EGEB N#Cc1ccc(C(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 2655555 OLIQPVGNOJGKSY-UHFFFAOYSA-N 348.280 3.373 30 40 EGEB Cc1cc(C)c(NC(=O)CO/N=C(\N)c2cccs2)c(Cl)c1 54888278 QELUAHSIWPPVKI-UHFFFAOYSA-N 337.832 3.294 30 40 EGEB CN(C(=O)Nc1cccc(C#N)c1)C1CCN(c2ccccn2)CC1 57879394 XPWOXKOMKNHTDP-UHFFFAOYSA-N 335.411 3.086 30 40 EGEB Cc1cc(NC(=O)Cc2nc(-c3ccccc3)oc2C)n(CCC#N)n1 58289344 BNGHGSUULBEACK-UHFFFAOYSA-N 349.394 3.250 30 40 EGEB Cc1ccc2nc(NCCNC(=O)c3ccc(F)cc3)c(C#N)cc2c1 35289212 PFQGKOGRPJFNOP-UHFFFAOYSA-N 348.381 3.396 30 40 EGEB CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)C2(C#N)C#N)cc1 218347429 IXKIGAQOTAFGRF-ROUUACIJSA-N 336.416 3.222 30 40 EGEB C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C=C[C@@H]2[C@@H]1CO1 31647369 RJGSCPUIDCIOCH-SLLBYLKQSA-N 326.436 3.056 30 40 EGEB C[C@@H](c1ccc(C#N)cc1)N1CCC(CN2CCCCC2=O)CC1 72663954 NBQBYMFZGPLNHB-INIZCTEOSA-N 325.456 3.344 30 40 EGEB CN(C)C(=O)c1cccc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)c1 78411122 HMUGVCBXRMMZNV-CQSZACIVSA-N 333.347 3.020 30 40 EGEB C=CCN1CCC[C@]12CCCN(C(=O)Nc1cccc(OC)c1)C2 96214796 BHZLWAUEAVBSHW-IBGZPJMESA-N 329.444 3.344 30 40 EGEB N#Cc1c(N)nc2c(c1-c1cccn1-c1ccncc1)N1CCC2CC1 102079787 JLAVSCUMHFJNBU-UHFFFAOYSA-N 342.406 3.086 30 40 EGEB Cc1sc(NC(=O)Cn2c(=O)sc3ccccc32)c(C#N)c1C 818879 ATNLBKHSCDJHAK-UHFFFAOYSA-N 343.433 3.252 30 40 EGEB CCOC(=O)COc1cccc(/C=N/NCc2ccccc2Cl)c1 8811829 ODMAJNBSZKGBLB-RGVLZGJSSA-N 346.814 3.406 30 40 EGEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCSCC4)[C@H]3C[C@H]12 61992883 ZCCNWNMIFSQHGL-VYIWNADRSA-N 335.513 3.349 30 40 EGEB biogenic N#CCCN(C(=O)COC(=O)CCc1ccccc1)c1ccccc1 3219230 BFHJIKDAVXFMKO-UHFFFAOYSA-N 336.391 3.109 30 40 EGEB C#CCNC(=O)[C@H](C)Sc1nnc(-c2ccccc2)n1[C@H](C)CC 58197168 LWYYGXMVVOULPX-KGLIPLIRSA-N 342.468 3.146 30 40 EGEB Cc1ccc2c(c1C)N=C(O)/C2=N\NC(=S)NCc1ccccc1 23741160 WEOTZQGOOMAQAF-UHFFFAOYSA-N 338.436 3.273 30 40 EGEB O=C(O)COc1ccc(/C=N/Nc2nc3ccccc3s2)cc1 5018056 RRRPRDMABXXUEM-RQZCQDPDSA-N 327.365 3.206 30 40 EGEB NC(N)=N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 4673382 WDJCNXSMIWVYFP-DNTJNYDQSA-N 337.210 3.180 30 40 EGEB CCc1ccccc1N=C[C@@H]1C(=O)NC(=O)N(c2ccccc2C)C1=O 408529176 CIFKCBPNWBTYDV-OAHLLOKOSA-N 349.390 3.159 30 40 EGEB C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)C1=O 4721056 IZLVPOBNINIXJM-FETOPEPRSA-N 332.415 3.172 30 40 EGEB biogenic,in-vitro CC1(C)OB(c2cc(Br)cc(OC(F)F)c2)OC1(C)C 584614549 DRAILFPGLRJWDU-UHFFFAOYSA-N 348.980 3.350 30 40 EGEB CN(C)c1ccc([C@H]2CCCN2Cc2ccc(Cl)cc2C#N)nn1 591625576 SOMKLMZPLIJBPC-QGZVFWFLSA-N 341.846 3.405 30 40 EGEB N#Cc1ccc(S(=O)(=O)Nc2c(F)cc(Cl)cc2Cl)cn1 97098333 JQUIGVWYMXIYPH-UHFFFAOYSA-N 346.170 3.200 30 40 EGEB N#CC1(C(=O)Nc2ccccc2I)CCCC1 20962441 OCOJFDUVDVOVEA-UHFFFAOYSA-N 340.164 3.314 30 40 EGEB C=CCN1C(=O)[C@](O)(CC(=O)c2ccc(CC)cc2)c2ccccc21 299844 JKQSOEXJJMOKKR-NRFANRHFSA-N 335.403 3.242 30 40 EGEB CC(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccccc1Cl 351059 YZAQZFXQYKJJIZ-INIZCTEOSA-N 342.782 3.220 30 40 EGEB COc1ccc(NC(=O)C2(C#N)CCC2)cc1OCc1cccnc1 78818820 SXXVAQFYUMFEKK-UHFFFAOYSA-N 337.379 3.302 30 40 EGEB CC[C@H](O/N=C(\C)c1sc(C)nc1C)C(=O)Nc1cc(C)on1 42115418 DSSIGTOSNLHYHS-NNLQFVHNSA-N 336.417 3.214 30 40 EGEB C=C(C)CN(C)C(=O)NCC1(c2cc(C)ccc2OC)CCOCC1 97233624 AGJHBMXQYIQGTD-UHFFFAOYSA-N 346.471 3.269 30 40 EGEB CCOC(=O)c1cccc(N/C=C/C(=O)c2ccc3c(c2)OCO3)c1 44842552 GFUYBHFBFLICGA-CMDGGOBGSA-N 339.347 3.401 30 40 EGEB NC(=O)C(C(=O)/C=C/c1ccc(Cl)cc1)=C1SCCS1 3342823 IAVIODZTSUMXRD-ZZXKWVIFSA-N 325.842 3.099 30 40 EGEB CC[C@@H](C)n1nccc1NC(=O)[C@@H](C)N(C)Cc1ccc(C#N)cc1 65590567 RKCJQVBPKKOHGY-HUUCEWRRSA-N 339.443 3.185 30 40 EGEB CN(Cc1ccc(C#N)cc1)C(=O)CCCN(C)C(=O)OC(C)(C)C 65587269 KJPSORDAACNXEZ-UHFFFAOYSA-N 345.443 3.164 30 40 EGEB N#Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2C2CC2)cc1 7851488 OHIUWPZEUKQVIE-UHFFFAOYSA-N 339.424 3.093 30 40 EGEB N#Cc1cc([N+](=O)[O-])ccc1Sc1nccn1Cc1ccccn1 69654452 APEWOLKWHGWFBF-UHFFFAOYSA-N 337.364 3.257 30 40 EGEB COc1ccccc1NC1CCN(c2nc3ccccn3c2C#N)CC1 195557972 RGUJVNWRGPUFPU-UHFFFAOYSA-N 347.422 3.295 30 40 EGEB Cc1cc(Cl)c2ncc(C#N)c(N3CC[S@](=O)C[C@@H](C)C3)c2c1 252552598 UXTBSJQBBVKRFQ-MYODQAERSA-N 347.871 3.273 30 40 EGEB Cc1nc(N2CC(N3C[C@H]4CCC[C@@H]4C3)C2)c(C#N)c(C)c1Cl 1889079640 GDAJOEXPMBDJPK-ZIAGYGMSSA-N 330.863 3.144 30 40 EGEB O=C1CS/C(=N/N=C/c2cccs2)N1Cc1ccc(F)cc1 2194265 BPDBWAAXXDZYBR-FUMQFTAPSA-N 333.413 3.353 30 40 EGEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCO[C@H]2CCCC[C@@H]21 40553896 VLWCUMZUKGLFLP-HOTGVXAUSA-N 339.395 3.034 30 40 EGEB C=CCn1cnc2scc(-c3ccc(OC)c(OC)c3)c2c1=O 148892 FOKXEAFGXSSEBR-UHFFFAOYSA-N 328.393 3.328 30 40 EGEB CCc1ccc(OCC(=O)[C@H](C#N)c2nc3ccccc3n2C)cc1 12564880 QSTWIYHSTDSFHM-INIZCTEOSA-N 333.391 3.391 30 40 EGEB N#Cc1ccc(NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)nc1 48290385 SFEHQBIAUWVKIB-UHFFFAOYSA-N 347.344 3.448 30 40 EGEB Cc1n[nH]c(/N=C(\O)[C@@H]2CC(c3ccc(Cl)cc3Cl)=NO2)n1 95349708 GWZQXLCXUDTSCD-NSHDSACASA-N 340.170 3.201 30 40 EGEB Cc1cccc(OCCNC(=O)c2ccccc2SCC#N)c1 27378318 XKZBBFHCMPPYJC-UHFFFAOYSA-N 326.421 3.420 30 40 EGEB C=CCCO[C@@H](C)C(=O)Nc1cccc(I)c1 58029600 LWLXMNUMXCSISK-JTQLQIEISA-N 345.180 3.211 30 40 EGEB COc1ccc(/C=C/C(=O)c2cc(OC)c(OC)c(OC)c2)cc1O 6582608 IKMOZUDCUBMIRL-FNORWQNLSA-N 344.363 3.323 30 40 EGEB Cc1noc(-c2ccccc2)c1/C(O)=N/S(=O)(=O)c1ccsc1 97141047 BGLYERDPFGIIKB-UHFFFAOYSA-N 348.405 3.405 30 40 EGEB C#CCN1CCC(C(=O)Nc2nc3c(s2)C[C@H](CCC)CC3)CC1 95957802 KWANQHHXDACNNG-CQSZACIVSA-N 345.512 3.332 30 40 EGEB COC(=O)[C@H](C)[C@H](NC(=O)Nc1cccc(C#N)c1)c1ccccc1 75106689 NOZCKJNBTINBHW-DYVFJYSZSA-N 337.379 3.230 30 40 EGEB C=CCn1c(-c2ccccc2)nn(CN2C[C@H](C)O[C@@H](C)C2)c1=S 20572534 RNINXWNMVHEVQJ-GJZGRUSLSA-N 344.484 3.334 30 40 EGEB N#CCOc1ccc(CC(=O)Nc2ccc(-c3cc[nH]n3)cc2)cc1 72277421 RMAQGVWGSUYNLO-UHFFFAOYSA-N 332.363 3.160 30 40 EGEB CSc1c(C#N)c(N)nc2c(/N=N/c3cccc(C)c3)c(N)nn12 6216744 CKEVHLBTPOGTHJ-QZQOTICOSA-N 338.400 3.211 30 40 EGEB Cc1cc(N/N=C/c2ccc3c(c2)OCO3)c2cc3c(cc2n1)OCO3 5552546 BQEYNIRSTCBFEH-DNTJNYDQSA-N 349.346 3.447 30 40 EGEB CC(C)OC(=O)C[N+](C)(C)CCO[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C 2290892 IOGAHPAXONVGAW-TXPKVOOTSA-N 326.501 3.246 30 40 EGEB C#CCN1CCC(C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)CC1 57175542 FSZUUPYVSPSARB-GOSISDBHSA-N 330.859 3.349 30 40 EGEB CCCO[C@](C)(CCC)C(=O)Nc1ccc(OC(C)=O)cc1C#N 225843935 ZQAPGNVSPYGVMW-GOSISDBHSA-N 332.400 3.407 30 40 EGEB C[C@H]1CCN(CCOc2ccc(NC(=O)C3(C#N)CCC3)cc2)C1 73303115 DOZSBEYFIFITJF-HNNXBMFYSA-N 327.428 3.040 30 40 EGEB CC1=CC(=O)C(C(C)C)=C/C1=N/OC(=O)c1cccc([N+](=O)[O-])c1 13136433 MTQALLSXLREZEC-SDXDJHTJSA-N 328.324 3.219 30 40 EGEB COc1cc(C(=O)/C=C/c2ccc(F)cc2)ccc1OCC(=O)O 8322839 NNTDVCULRWYISG-XBXARRHUSA-N 330.311 3.194 30 40 EGEB N#Cc1cccc(NC(=O)COc2ccc(Br)cc2)c1 512461 GEGCJBMQUPBHHT-UHFFFAOYSA-N 331.169 3.338 30 40 EGEB C=CCOc1ccc(C(=O)N2CCC3(CC2)C[C@H](OCC)CO3)cc1 1565553137 LJXWWDFXWWWSDE-SFHVURJKSA-N 345.439 3.052 30 40 EGEB Cc1cc(C)c(C#N)c(N2CCC[C@@H](COc3nccs3)C2)n1 2298188613 ZBBISJWTUFDTBI-CQSZACIVSA-N 328.441 3.322 30 40 EGEB COc1cc(C#N)cc(Cl)c1OC(=O)c1cnc2ccccc2n1 24649516 QYRXDOMKKMLRCF-UHFFFAOYSA-N 339.738 3.383 30 40 EGEB CC(C)c1ccc(C(=O)/C=C/Nc2ccc(S(N)(=O)=O)cc2)cc1 51318738 FIBXNVRGRVJBLA-VAWYXSNFSA-N 344.436 3.266 30 40 EGEB C[C@@H](CC#N)NC(=O)c1c(-n2cccc2)sc2c1CCSC2 58370467 KFUYVQOSWDUSRU-NSHDSACASA-N 331.466 3.360 30 40 EGEB COc1cc(C#N)ccc1OCC(=O)N[C@@H]1CCCc2ccccc21 3374597 GDNKQOGEQWHVFI-QGZVFWFLSA-N 336.391 3.139 30 40 EGEB Cc1cccc(NC(=O)[C@@H]2CCCN2Cc2ccc(C#N)cc2F)n1 71905313 WDDKWRUPAUZWJX-KRWDZBQOSA-N 338.386 3.004 30 40 EGEB CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1nc(-c2cccs2)n[nH]1 9155158 PTGLAVMBRKPGTG-BONVTDFDSA-N 349.485 3.068 30 40 EGEB COC(=O)c1sc(NC(=O)COc2ccc(C)cc2)c(C#N)c1C 4537780 ICHWDMGBVCQPBY-UHFFFAOYSA-N 344.392 3.041 30 40 EGEB Cc1ccc(NC(=O)/C=N/OCC(=O)Nc2cc(C)cc(C)c2)cc1 5752649 GRPXDTMSXYAPQG-RGVLZGJSSA-N 339.395 3.191 30 40 EGEB CCOC(=O)c1sc(NC(=O)COc2ccccc2C#N)cc1C 6847772 OIWYXKLNXAVVQE-UHFFFAOYSA-N 344.392 3.122 30 40 EGEB CC(C)OP(=O)(OC(C)C)/C(N)=N/Nc1ccc([N+](=O)[O-])cc1 17218318 KLZIGZPOZJXGHZ-UHFFFAOYSA-N 344.308 3.280 30 40 EGEB C=CCNc1ncc(C(=O)N[C@H](C)c2nc(C3CCCC3)no2)s1 95429509 NYIUGARMTHHLMM-SNVBAGLBSA-N 347.444 3.273 30 40 EGEB Cc1nc(C)c(S(=O)(=O)/N=C(\O)[C@@H](C)Cc2cccs2)s1 83150644 LIAWZWKBLFFNJG-QMMMGPOBSA-N 344.483 3.345 30 40 EGEB Cc1cc(F)c(S(=O)(=O)/N=C(\O)C[C@@H](C)n2cccc2)cc1F 96474026 LWRBNSYCDYCGAB-LLVKDONJSA-N 342.367 3.371 30 40 EGEB N#Cc1ccc(OC2CCN(C(=O)Nc3cccs3)CC2)nc1 90607646 HDHPFSCCKQINMN-UHFFFAOYSA-N 328.397 3.090 30 40 EGEB CO[C@H]1CCCN(c2ccc(NC(=O)c3cccc(C#N)c3)cc2)C1 96122429 PYIFGBKLEFSLKZ-IBGZPJMESA-N 335.407 3.426 30 40 EGEB C[C@H]1CCC[C@@H](C)N1C[C@H](O)Cn1cc(/C=N/O)c2ccccc21 4247652 SGYVGMPHVDOWDO-YUIYSEAXSA-N 329.444 3.073 30 40 EGEB Cc1ccc(-c2cc3c4nnc(SCC#N)n4ccn3n2)cc1C 1775966389 BHCFPHLBAQFOTO-UHFFFAOYSA-N 334.408 3.277 30 40 EGEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@@H]2c1nc2ccccc2[nH]1 18195627 FOMBPNJUOVFZHP-CQSZACIVSA-N 349.394 3.192 30 40 EGEB COc1cc(OC)c(OC)cc1/C=N/C[C@@H]1OCCc2ccccc21 174651 IQKQNFKKKWZNTI-JLDPKJTDSA-N 341.407 3.445 30 40 EGEB biogenic Cc1ccc([C@H](O)CNC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1 41467447 LPNYUXFSJOULHG-QGZVFWFLSA-N 349.390 3.022 30 40 EGEB COc1ccccc1CCn1c(N)c(C#N)c2nc3ccccc3nc21 503778 MCODXNLQEZFFRX-UHFFFAOYSA-N 343.390 3.290 30 40 EGEB aggregator N#Cc1c(F)cccc1NCc1cccc(NC(=O)[C@@H]2CCCO2)c1 58406742 BDHSSRJQQUPBEC-SFHVURJKSA-N 339.370 3.427 30 40 EGEB CCC[C@@]12C=C(OC)C(=O)[C@@H](C1=O)[C@H](c1ccc3c(c1)OCO3)[C@@H]2C 104247621 VZKISWAFIMEKDK-IREPMIDKSA-N 342.391 3.233 30 40 EGEB CC(=O)/C(=C\Nc1ccccc1F)S(=O)(=O)c1ccc(C)cc1 6088175 VUQIQQLUWGNDLN-GZTJUZNOSA-N 333.384 3.450 30 40 EGEB CC(C)(C)c1csc([C@H]2CN(c3ccc(C#N)cn3)CCO2)n1 65492408 PIFHRDHRNKZKAI-CYBMUJFWSA-N 328.441 3.285 30 40 EGEB Fc1nc(F)c(F)c(N/N=C/c2ccc(-n3ccnc3)cc2)c1F 7738598 YTVGUGNVVIWFDE-QPSGOUHRSA-N 335.264 3.270 30 40 EGEB N#C[C@]1(NC(=O)c2cccc(Br)c2Cl)CCSC1 97054898 JZBODJDSDWIQRS-GFCCVEGCSA-N 345.649 3.232 30 40 EGEB N#Cc1nccnc1N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 76063805 SSOHWYAOILQAAU-LBPRGKRZSA-N 345.353 3.031 30 40 EGEB CC/N=C(\NCc1ccccc1COC)NCc1sc(C)nc1C 97227631 JDHLMFCIIBIBBM-UHFFFAOYSA-N 346.500 3.162 30 40 EGEB NS(=O)(=O)c1ccc(/N=C\c2cc(Cl)cc(Cl)c2O)cc1 18105843 ZBUILKZAUXTOSA-IDUWFGFVSA-N 345.207 3.097 30 40 EGEB CN(Cc1ccccc1)c1nc(B2OC(C)(C)C(C)(C)O2)cs1 206112639 CYJLUYDZLZYBQN-UHFFFAOYSA-N 330.262 3.079 30 40 EGEB N#CCC[C@@H](C#N)CN1CCC[C@@H](c2cc(C(F)(F)F)[nH]n2)C1 78901041 OJAREHRCAZBJIS-NWDGAFQWSA-N 325.338 3.051 30 40 EGEB COc1cccc(-c2nnc(SC[C@H](C#N)CCC#N)n2C)c1 8924332 WKULVOZIXGHYFO-LBPRGKRZSA-N 327.413 3.026 30 40 EGEB CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1N[C@H](C)c1ccc(C#N)cc1 107504929 HHTKHIBGSMVULF-OGWOLHLISA-N 325.456 3.246 30 40 EGEB O=C[C@H]1[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(F)c1 225629984 WSYOKIMEHMNARE-OWCLPIDISA-N 338.787 3.234 30 40 EGEB C=CC[C@H](CC)NC(=O)Nc1ccc(NS(=O)(=O)CC)c(C)c1 281353573 LRARJFIYPLCPFC-ZDUSSCGKSA-N 339.461 3.233 30 40 EGEB N#Cc1ccc(C(=O)CN2C(=O)S/C(=C/c3ccccc3)C2=O)cc1 3211711 PXLOULRMXPIENG-LICLKQGHSA-N 348.383 3.477 30 40 EGEB C=CCN1CCCC12CCN(C(=O)CCc1ccccc1F)CC2 2055819397 FSVMCUWZWNSHSK-UHFFFAOYSA-N 330.447 3.401 30 40 EGEB Cc1cccc(NC(=O)CN2CCC(C#N)(c3ccccc3)CC2)c1 2086882006 UFHRYWYJBOSNIR-UHFFFAOYSA-N 333.435 3.491 30 40 EGEB CCOc1ccc(/C=C2\Oc3c(ccc(O)c3CN(C)C)C2=O)cc1 20624529 QZBBUATYJNDYHF-WQRHYEAKSA-N 339.391 3.469 30 40 EGEB CCN(Cc1cn2ccccc2c1C#N)C[C@H]1COc2ccccc2O1 32888212 ILZNQNKDMWWZFE-KRWDZBQOSA-N 347.418 3.473 30 40 EGEB Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)/N=C(\O)C1CCCCC1 54488165 KHLFORSROWXUKK-UHFFFAOYSA-N 326.374 3.129 30 40 EGEB Cc1cccc(N(CCC#N)S(=O)(=O)c2cc(F)cc(F)c2)c1 108760614 RTNYHWCPKXCKQU-UHFFFAOYSA-N 336.363 3.382 30 40 EGEB CN/C(S)=N/N=C/c1ccc(OCc2ccc(F)cc2)c(OC)c1 1968827 ULGNXSGIFLQJEP-KEBDBYFISA-N 347.415 3.252 30 40 EGEB C[C@H](Nc1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccccc1C#N 10770116 BVZCAGHVXKXCOU-ZDUSSCGKSA-N 348.406 3.346 30 40 EGEB CNc1ccc(/C=C2\S/C(=N\C3CCCC3)NC2=O)cc1[N+](=O)[O-] 20987554 VHRFXGTUBCWAMW-ZROIWOOFSA-N 346.412 3.139 30 40 EGEB C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1cccc(C#N)c1 6507581 SQJAFWBXUDOOIR-UHFFFAOYSA-N 337.335 3.212 30 40 EGEB COc1cc(OC)c(OC)cc1/C=N/OCc1cccc([N+](=O)[O-])c1 408595566 XISQUJDOYPCPSL-VCHYOVAHSA-N 346.339 3.171 30 40 EGEB C[C@@H](Oc1ccccc1Br)C(=O)[C@H](C#N)c1ccccn1 79029126 OYAAOFWNPGIAHJ-VXGBXAGGSA-N 345.196 3.488 30 40 EGEB C[C@@]12CC[C@@H]3C[C@]1(C#N)N(C(=O)c1ccc([N+](=O)[O-])cc1)C[C@]32C 245241587 KDABRWTZSUITBK-NKGKWGDASA-N 325.368 3.139 30 40 EGEB N#Cc1ccc(N2CCC[C@@H](N3CCC=C(c4ccco4)C3)C2=O)cc1 586773601 YEPZWMQWXLQOJU-LJQANCHMSA-N 347.418 3.436 30 40 EGEB C[C@@H](Oc1cccc(/C=C2\CCc3cc(O)ccc3C2=O)c1)C(=O)O 60364422 RVXRBLUTLMNSQW-KMHUVPDISA-N 338.359 3.457 30 40 EGEB N#CCOc1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 18895518 AWOULLRRACWGFJ-UHFFFAOYSA-N 340.763 3.182 30 40 EGEB C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)N1CCN(c3nccs3)CC1)C2 19460745 VGCUAMZVHIVMOY-RDTXWAMCSA-N 331.485 3.174 30 40 EGEB Cc1ccc(-c2nc(CS/C(N)=N/C[C@@H]3CCCO3)cs2)o1 30515971 KYANSBREJWOOJP-LBPRGKRZSA-N 337.470 3.438 30 40 EGEB N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccccn3)cn2)cc1 40540935 CHNMWDUWZTXOMV-UHFFFAOYSA-N 345.362 3.462 30 40 EGEB O=C1CCCC2=C1[C@@H](c1cccnc1)n1nc(-c3ccccc3)nc1N2 66967 ZCRBSFQBTBIZCA-GOSISDBHSA-N 343.390 3.362 30 40 EGEB N#C[C@]1(Nc2ccccc2Br)C(=O)Nc2ccccc21 501870 BSRATJSHJLPUQO-OAHLLOKOSA-N 328.169 3.232 30 40 EGEB COc1cc(/N=C/c2cc([N+](=O)[O-])ccc2O)ccc1NC(C)=O 44011185 MNHZEUYFNYFKAS-RQZCQDPDSA-N 329.312 3.018 30 40 EGEB C=CCn1c(C)nnc1S[C@H](C)C(=O)c1ccc(OC)c(OC)c1 58215775 OKDLLXMQBCSILI-LLVKDONJSA-N 347.440 3.153 30 40 EGEB N#C[C@@H](C(=O)[C@@H]1COc2ccccc2O1)c1nc2ccccc2s1 2649193 JJUWRDQJHCJIJZ-NHYWBVRUSA-N 336.372 3.313 30 40 EGEB CC(C)(C)c1csc([C@@H]2CN(c3ncccc3C#N)CCO2)n1 65521594 SPIMQQDQFMLLKN-ZDUSSCGKSA-N 328.441 3.285 30 40 EGEB C/C(=N/NS(=O)(=O)c1ccc(CC(C)C)cc1)c1ccc(O)cc1 6563891 TUXXNBDRJUXGMS-RGEXLXHISA-N 346.452 3.293 30 40 EGEB C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(Cl)cc1)CC(=O)N2 4944245 YWEHEKVQKTWPJS-NSHDSACASA-N 347.827 3.176 30 40 EGEB COc1ccc2c(c1)O/C(=C\c1ccc(OC)c(OC)c1OC)C2=O 5960281 QQLTYKSKFRIZBD-SXGWCWSVSA-N 342.347 3.337 30 40 EGEB biogenic C#CCOc1ccc(NC(=O)N[C@H](CCO)c2cccs2)cc1 96420209 ICDPWMDILLXXOQ-OAHLLOKOSA-N 330.409 3.005 30 40 EGEB C[C@@H]1C[C@@H]1/C(O)=N/S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 71883897 OVKUIJLNPORBGS-SVRRBLITSA-N 325.283 3.146 30 40 EGEB CCc1oc(C(=O)N[C@@H](C#N)c2ccc(OC)cc2OC)cc1C 95415229 WUZRNUDBLKZHDY-AWEZNQCLSA-N 328.368 3.162 30 40 EGEB COc1ccc2ccccc2c1C=Nn1c(O)nc2ccccc2c1=O 409353501 MCLMJRVIARCEMG-UHFFFAOYSA-N 345.358 3.146 30 40 EGEB CC[C@](C)(C#N)NC(=O)c1csc(=Nc2cc(F)cc(F)c2)[nH]1 597036637 WCDQLWGHVZUNDE-OAHLLOKOSA-N 336.367 3.009 30 40 EGEB C#CCOC1CCN(C(=O)c2ccc(C)c(Br)c2)CC1 95406012 REMKFYIGUAXVQN-UHFFFAOYSA-N 336.229 3.012 30 40 EGEB C=CCc1cccc2c1OC(=O)C1=C(C)NC(C)=C(C(=O)OCC)[C@H]12 19418595 LHMPJLNIINFMCJ-QGZVFWFLSA-N 339.391 3.132 30 40 EGEB N#Cc1cccc(S(=O)(=O)Nc2ccccc2Br)c1 6315654 PVNHONLMNDBRHQ-UHFFFAOYSA-N 337.198 3.122 30 40 EGEB O=c1cc(/C(O)=N/c2nc(-c3ccc(F)cc3)n[nH]2)c2ccccc2[nH]1 32788437 JLJMGLZZBQWXMZ-UHFFFAOYSA-N 349.325 3.089 30 40 EGEB CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N(C)Cc1c(F)cccc1Cl 32832195 PJWOTETWCKWPFW-PXAZEXFGSA-N 339.842 3.354 30 40 EGEB CCOC(=O)ON1C(=O)c2ccccc2N2COc3ccccc3[C@H]12 134622 FAGPKYOCFLITQF-INIZCTEOSA-N 340.335 3.086 30 40 EGEB COC(=O)c1ccc(/N=C/c2ccc(OC(C)=O)c(OC)c2)cc1 587917 LFOHBNTTYIWIDB-YBFXNURJSA-N 327.336 3.158 30 40 EGEB N#Cc1cc(F)c(S(=O)(=O)N2CCC[C@H]3CCCC[C@@H]32)c(F)c1 79098287 URMKIEBJYQEUOK-DOMZBBRYSA-N 340.395 3.180 30 40 EGEB N#C[C@@H](C(=O)COc1ccc(F)cc1)C(=O)Nc1ccccc1Cl 103504487 PRYGVDCWVGOCLN-ZDUSSCGKSA-N 346.745 3.205 30 40 EGEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@H]2c1ccccc1F 12348642 VROWFWQGPKMLPZ-ZDUSSCGKSA-N 327.359 3.455 30 40 EGEB N#Cc1cnn(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1N 57556165 DLABGCPYBKZMQX-UHFFFAOYSA-N 348.206 3.063 30 40 EGEB COc1ccc(C(=O)/C=C/c2cc3ccccc3[nH]c2=O)cc1OC 27542589 DULXJYOOLQLHDG-VQHVLOKHSA-N 335.359 3.441 30 40 EGEB N#Cc1ccc(OCCOC(=O)c2cc(O)nc3ccccc23)cc1 11461200 DBVYLZXWXKHSON-UHFFFAOYSA-N 334.331 3.048 30 40 EGEB N#Cc1cccc(NC(=O)COC(=O)c2cc3ccccc3cc2O)c1 5079373 DQGNONKIMKTMJC-UHFFFAOYSA-N 346.342 3.213 30 40 EGEB CC(C)n1c(CCNC(=O)c2ccc(C#N)cc2)nc2ccccc21 72288858 XVTKRUAGCBXGSQ-UHFFFAOYSA-N 332.407 3.461 30 40 EGEB CN(Cc1nc2c(s1)CCCC2)c1ccc([N+](=O)[O-])c(C#N)c1 95972547 JMWHJHSJDCXXJO-UHFFFAOYSA-N 328.397 3.438 30 40 EGEB C=CCc1cc(OC)c2oc(=O)c3ccc(OC)c4oc(=O)c1c2c43 39177332 PIHIBRXZERHUOE-UHFFFAOYSA-N 338.315 3.236 30 40 EGEB in-vitro C=CCNC(=S)Nc1cc(/C=C/C(=O)O)ccc1Br 216929549 TXXRCXIWIONXEW-GQCTYLIASA-N 341.230 3.019 30 40 EGEB COc1ccc(S(=O)(=O)Nc2ccc(C3(C#N)CC3)cc2)cc1C 222994743 KGPURXSWQNOISR-UHFFFAOYSA-N 342.420 3.360 30 40 EGEB COc1ccc(-c2nnc(S)n2/N=C\c2ccc(F)cc2)cc1 5880211 VBDMZGFVKLADQK-ZDLGFXPLSA-N 328.372 3.264 30 40 EGEB C=CCCN1CCC(Cn2c(C)nc3cc(F)ccc3c2=O)CC1 1888875798 WVTPTURYLQHIKN-UHFFFAOYSA-N 329.419 3.132 30 40 EGEB COc1cccc(/C=N/CCC/N=C/c2cccc(OC)c2O)c1O 102649690 AMFPWWBMBWSHLQ-ZIOPAAQOSA-N 342.395 3.043 30 40 EGEB C[C@@H](Oc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O)C(=O)O 5307691 XORSCMFVBIBCMW-NUEDXCKTSA-N 328.295 3.294 30 40 EGEB COc1ccc(NC(=O)Cn2cc(C#N)c3ccccc32)c(OC)c1 51319017 QPACISGRDPPFRJ-UHFFFAOYSA-N 335.363 3.169 30 40 EGEB N#CC1(NC(=O)CCc2cc(Cl)ccc2Br)CC1 79896414 NNGLLFCVJFSZQN-UHFFFAOYSA-N 327.609 3.207 30 40 EGEB C=CCN1C(=O)/C(=C\c2cn[nH]c2-c2ccccc2)SC1=S 33783155 DVMPNWJXXGQRGU-UKTHLTGXSA-N 327.434 3.464 30 40 EGEB COc1ccccc1[C@@H](C#N)NC(=O)CCn1c(C)nc2ccccc21 97097198 SVFFQNVWSDQTKQ-QGZVFWFLSA-N 348.406 3.125 30 40 EGEB Cc1nc(C(=O)N2[C@@H](C)[C@@H](c3ccccc3)OC[C@H]2C)ccc1C#N 72275584 OPGOUVZSYIKUNB-WTANOLMUSA-N 335.407 3.252 30 40 EGEB COC(=O)c1cccc(S(=O)(=O)/N=C(\O)C=C2CCCCC2)c1 58194256 CLJYSEXCXZLVAI-UHFFFAOYSA-N 337.397 3.009 30 40 EGEB O=C(/C=C1\NCCc2cc3c(cc21)OCO3)C[C@@H]1C[C@@H]2CC[C@@H]1C2 100779694 CBAXMSGGEBAKNN-DAMLBZDMSA-N 325.408 3.297 30 40 EGEB COc1c2c(cc3c1[C@H]([C@@H](C#N)c1ccccc1)N(C)CC3)OCO2 20112969 ZFNRSRSOZRYKBW-YJBOKZPZSA-N 336.391 3.260 30 40 EGEB biogenic COc1ccc(C#N)cc1Cn1nc(C(F)(F)F)c2cnccc21 92918647 LMAUCYLWGKGYIW-UHFFFAOYSA-N 332.285 3.379 30 40 EGEB CCOc1ncccc1C(=O)Nc1ccc(C#N)cc1Br 65552305 JYBAWCSTVMCNAH-UHFFFAOYSA-N 346.184 3.367 30 40 EGEB Cc1oc(-c2ccsc2)nc1CC(=O)NCc1cccc(C#N)c1 65610281 NSCUNGQAOAWUQL-UHFFFAOYSA-N 337.404 3.442 30 40 EGEB C[C@@H]1CN(C(=O)NCC#Cc2ccccc2)C[C@@H](c2ccsc2)O1 84714207 OUJQRQYVCLDCGO-QAPCUYQASA-N 340.448 3.271 30 40 EGEB COc1nccc(-c2ccc3c4c(ccc3c2)O[C@@H](CN)C4)c1C#N 67974373 XMIXERNFOCYHLM-CQSZACIVSA-N 331.375 3.044 30 40 EGEB CC(C)(C)c1csc(CNC(=O)COc2ccccc2C#N)n1 71856449 XMRPOXDTECTVEX-UHFFFAOYSA-N 329.425 3.007 30 40 EGEB Cc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])c(C)n1-c1ccncc1 409102329 YVCFRNMHMWMCGR-RGVLZGJSSA-N 336.355 3.238 30 40 EGEB N#Cc1ccc(C(=O)OC2CCN(Cc3ccccc3C#N)CC2)cc1 69633043 YFUWXNQWUPSDKB-UHFFFAOYSA-N 345.402 3.251 30 40 EGEB COc1ccccc1N=C1NC(=O)/C(=C/c2ccccc2O)S1 408721065 JNOMQUVFCVXQDD-GDNBJRDFSA-N 326.377 3.292 30 40 EGEB CCCCCCCCOC(=O)[C@H](N)Cc1ccc(O)c([N+](=O)[O-])c1 33358469 ZIEJDWACCIGWMP-CQSZACIVSA-N 338.404 3.074 30 40 EGEB biogenic COc1ccc([C@@H]2[C@H](C#N)[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 218118329 BESUSWDQCYIADA-BBWFWOEESA-N 347.823 3.428 30 40 EGEB C#CCOc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1 19973818 FJLOGGBHUDBPKP-UHFFFAOYSA-N 347.414 3.400 30 40 EGEB COc1cccc(NC(=S)N/N=C(\C)c2ccc3c(c2)OCO3)c1 6406866 WKXLBEUXERRZMJ-YBFXNURJSA-N 343.408 3.135 30 40 EGEB C[C@H](OC(=O)c1cc2ccccc2[nH]1)C(=O)Nc1cccc(C#N)c1 5037095 GDLYJQBNAIXEEI-LBPRGKRZSA-N 333.347 3.224 30 40 EGEB N#Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1 7073344 PNSUHBXDVCHHGK-UHFFFAOYSA-N 333.391 3.049 30 40 EGEB C#CCn1/c(=N/C(=O)c2cccs2)sc2cccc(OC)c21 2715505 DAMRJQZZDSXAHP-MSUUIHNZSA-N 328.418 3.147 30 40 EGEB Cc1nc(SCC(=O)Nc2[nH]c(C)c(C)c2C#N)[nH]c1CC(C)C 12372021 CXGOMQOBNSBTSV-UHFFFAOYSA-N 345.472 3.464 30 40 EGEB O=C1CCCC2=C1[C@@H](c1ccc3ncccc3c1)Nc1nonc1N2 12324639 ZYQKYTHYQPANGM-MRXNPFEDSA-N 333.351 3.204 30 40 EGEB COc1ccc(N2CCCN(c3snc(Cl)c3C#N)CC2)cc1 52511673 QHGHPXBICPNWGB-UHFFFAOYSA-N 348.859 3.393 30 40 EGEB Cc1ccc(S(=O)(=O)N/N=C(\c2ccccc2)C(F)(F)F)cc1 509977 QACLRZKZKDFMCQ-XMHGGMMESA-N 342.342 3.240 30 40 EGEB COc1ccc(-c2nnc(S)n2/N=C\c2ccccc2F)cc1 4679366 QNOVWJDSWSDRQP-ZDLGFXPLSA-N 328.372 3.264 30 40 EGEB CSc1ccc([C@H]2[C@H](C#N)C(=O)Nc3nc4ccccc4n32)cc1 9262165 YAYHGPBEUJIUAZ-BBRMVZONSA-N 334.404 3.439 30 40 EGEB O=C1CC(c2cccc(Cl)c2)CC(=O)C1=C1N[C@@H]2CCCC[C@H]2N1 9287884 YPKQQCKHIUJHRE-HUUCEWRRSA-N 344.842 3.071 30 40 EGEB CN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@H]1c1ccccc1 102800235 OTGCTXBZFBAIFO-DPEHCCBOSA-N 327.767 3.392 30 40 EGEB N#Cc1cccnc1N1CCO[C@@H](c2cccc(Br)c2)C1 58201611 TYXUVIURYZDNNW-OAHLLOKOSA-N 344.212 3.294 30 40 EGEB CC[C@H](C)Oc1cccc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 409406899 RNNBKGMBDMJLAR-GIVGJKMXSA-N 338.407 3.005 30 40 EGEB CCOC(=O)c1sc(N/N=C/c2ccc(OCC)cc2)nc1C 3961736 MMLFUBIDAXEQNC-LICLKQGHSA-N 333.413 3.473 30 40 EGEB CCOc1ccc(/C=N/Nc2nnc3c(n2)[nH]c2ccccc23)c(O)c1 4785775 CNKSPYMQKLODNW-VXLYETTFSA-N 348.366 3.056 30 40 EGEB N#Cc1ccsc1NC(=O)COC(=O)c1ccc(Cl)cc1F 7565591 MGBYBAWRWGENND-UHFFFAOYSA-N 338.747 3.208 30 40 EGEB Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)c(CN(C)C)c1 69739035 VZMPFQPZNGABIV-OAHLLOKOSA-N 337.423 3.334 30 40 EGEB CCOC[C@]1(C#N)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 218034257 OVXFXDWJOZMFPC-CEXWTWQISA-N 341.432 3.173 30 40 EGEB N#Cc1cccc(CN2CCC3(CC2)C[C@H](Nc2ccccn2)CO3)c1 96221295 HQFACLBZJAQRCZ-IBGZPJMESA-N 348.450 3.189 30 40 EGEB C[C@@H]1CN(Cc2ccc(C(=O)Nc3cccc(C#N)c3)cc2)CCO1 25041294 GXRZLZPBOFSCGX-OAHLLOKOSA-N 335.407 3.031 30 40 EGEB C[C@H]1C[C@H](C)CN(CCCCNC(=O)CCc2ccc(C#N)cc2)C1 47037826 OHKGJRKWSGFLAI-ROUUACIJSA-N 341.499 3.365 30 40 EGEB C#CCOc1ccc(F)cc1NC(=O)c1occc1Br 81548671 NYLGUQSUMLTTEG-UHFFFAOYSA-N 338.132 3.446 30 40 EGEB COc1cccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c1OCC#N 5340794 MOPVCGYUKDWTMJ-GHRIWEEISA-N 347.374 3.404 30 40 EGEB COC1CCC(C(=O)Nc2ccc(Br)c(C#N)c2)CC1 591000657 LMJQIBIMZGYWIG-UHFFFAOYSA-N 337.217 3.464 30 40 EGEB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Oc2ccc(C#N)cc2)c1C 5108750 LZCMMQIOBWGGAH-ZDUSSCGKSA-N 340.379 3.330 30 40 EGEB N#Cc1ccc(Cl)cc1NC(=O)c1ccnc(O[C@@H]2CCOC2)c1 245170799 XGVKKDDBNCAWRT-CQSZACIVSA-N 343.770 3.027 30 40 EGEB COc1ccc2c(=O)c(C=C3C(=O)c4ccccc4C3=O)coc2c1 550815 XFKNVSUADJBSPP-UHFFFAOYSA-N 332.311 3.264 30 40 EGEB N#Cc1ccc(S(=O)(=O)Nc2ccc(N3CCCCC3)cc2)cc1 7716256 SWYVEVQBULMCPT-UHFFFAOYSA-N 341.436 3.349 30 40 EGEB COc1ccc(CN(C)C(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1F 23734526 QEPVAHFAOBPLDK-ZDUSSCGKSA-N 342.370 3.132 30 40 EGEB C=CCN1C(=O)[C@@](O)(CC(=O)c2ccc(C)s2)c2ccccc21 4554658 LIFUQNIABOJPBU-GOSISDBHSA-N 327.405 3.050 30 40 EGEB C[C@H](C(=O)[C@H](C#N)c1nc2ccccc2[nH]1)n1cnc2ccccc21 95350005 FSEVVYIUJCCCAL-OLZOCXBDSA-N 329.363 3.350 30 40 EGEB COCCN(Cc1ccc(C)o1)C(=O)Nc1ccc(F)c(C#N)c1 89656046 XKKUNYBAFAYOAH-UHFFFAOYSA-N 331.347 3.279 30 40 EGEB N#C[C@H](C(=O)Cn1ncc2ccccc21)c1ccc2ccccc2n1 89873131 FSKDCPRNSYXHNB-INIZCTEOSA-N 326.359 3.461 30 40 EGEB C[C@]1(c2ccccc2)CN(C(=O)NCc2cccc(C#N)c2)CCO1 89919538 DRZZOANSINBWCL-HXUWFJFHSA-N 335.407 3.015 30 40 EGEB CCOc1c(OC)cc(C#N)cc1C(=O)Nc1cccc([N+](=O)[O-])c1 408583932 YVSXCGBRMOEGCZ-UHFFFAOYSA-N 341.323 3.126 30 40 EGEB C[C@@H](CCc1cccc(F)c1)/C(O)=N/S(=O)(=O)c1cccnc1 76761126 JAATWNAZVCZNDK-LBPRGKRZSA-N 336.388 3.135 30 40 EGEB CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc2c(c1F)CCNC2 567712649 LUGNNPUOXOOZKQ-UHFFFAOYSA-N 338.386 3.007 30 40 EGEB C=C1CC[C@H]2[C@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@H]1C/C=C1/C=COC1=O 256013307 YIIRVUDGRKEWBV-FLQCZQAVSA-N 332.440 3.115 30 40 EGEB Cc1cc(C(=O)N2Cc3ccc(C#N)cc3C2)c(C)n1[C@H]1CCOC1 600088264 OXPZGNIWRVFCNI-SFHVURJKSA-N 335.407 3.094 30 40 EGEB C=CCN(Cc1cccs1)C(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C 71803212 OFUFIWHNYXSHCO-LSDHHAIUSA-N 349.500 3.235 30 40 EGEB Cc1ccc(S(=O)(=O)OC[C@]23CC[C@](C)(C(=O)C2)C3(C)C)cc1 4228034 FLGTYOMTXDOJJS-MSOLQXFVSA-N 336.453 3.486 30 40 EGEB CCOc1cc(/C=C2/Oc3ccc(C(=O)OC)cc3C2=O)ccc1O 33746080 SFHGIKBNUCLDBR-RQZCQDPDSA-N 340.331 3.194 30 40 EGEB CCC[C@@]1(c2ccccc2)NC(=O)N(Cc2ccc(C#N)cc2)C1=O 12569118 VPEYERASCJJSGU-FQEVSTJZSA-N 333.391 3.306 30 40 EGEB C[C@@H](Nc1cccc(N2CCCC2=O)c1)C(=O)Nc1ccccc1C#N 25701350 BFJYTBBZEWDLKT-CQSZACIVSA-N 348.406 3.124 30 40 EGEB CCOC(=O)c1ccc(/N=C/c2ccc(O[C@H](C)C(=O)O)cc2)cc1 59248515 CBYRFKNVLYUZOT-HMHKGCENSA-N 341.363 3.466 30 40 EGEB CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)Nc2ccc(C#N)cc2)C1 65605145 NDTLIFLMEFIATH-ZBFHGGJFSA-N 342.443 3.107 30 40 EGEB C[C@H](NCc1ccc(C#N)cc1)c1ccc(N2CCN(C)CC2)cc1 71825373 IDCQMBWWRYJUOP-KRWDZBQOSA-N 334.467 3.161 30 40 EGEB N#Cc1ccccc1OC1CCC(Nc2ncc([N+](=O)[O-])cn2)CC1 95940402 CWSZIAKVGYNQOX-UHFFFAOYSA-N 339.355 3.059 30 40 EGEB C=CCn1c(N)nnc1SCc1ncc(-c2cccc(F)c2)o1 75092320 FGOAEBBXSUKMIA-UHFFFAOYSA-N 331.376 3.133 30 40 EGEB CN1CCC[C@@H](NC(=O)Nc2cccc(C#Cc3cccs3)c2)C1 75121952 PSZMXIFJUXXBMT-QGZVFWFLSA-N 339.464 3.364 30 40 EGEB Cc1ccc(N2CCO[C@@H]2c2cn(Cc3ccccc3C#N)nn2)cc1 216761496 IOLXYDAAAPGWPA-HXUWFJFHSA-N 345.406 3.042 30 40 EGEB Cc1csc(C(=O)N2CCC(Oc3ccc(C#N)cn3)CC2)c1 90607642 SRTWPXJKOGQZIT-UHFFFAOYSA-N 327.409 3.007 30 40 EGEB Cn1c(=O)oc2c(C(=O)[C@H](C#N)c3nc4ccccc4s3)cccc21 330031768 CYXMJUOJBVNGMH-NSHDSACASA-N 349.371 3.231 30 40 EGEB CCN(Cc1nnc(-c2ccccc2Br)o1)C[C@H](C)C#N 71828203 LAQMRBXFWNEYBN-LLVKDONJSA-N 349.232 3.481 30 40 EGEB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccc(C#N)cc1 11083323 FLURTTHMXQKWPV-UHFFFAOYSA-N 330.391 3.075 30 40 EGEB Cc1cc(OC[C@H]2CCCN(C(=O)c3cccc(C#N)c3)C2)ccn1 1775970798 CUQNNQAFJYVCKF-KRWDZBQOSA-N 335.407 3.193 30 40 EGEB O=S(=O)(/N=C(\O)[C@@H]1COc2ccccc21)c1ccc(Cl)s1 73086855 VWYNHWJFJQTSIM-SECBINFHSA-N 343.813 3.223 30 40 EGEB C#CCOc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 2586465 YXYSOMHTUYIPIS-UHFFFAOYSA-N 336.416 3.338 30 40 EGEB CCCCCCCC[C@@H]1Cc2cc(O)c(C(=O)O)c(O)c2[C@@H](O)O1 102997333 SKYDJPNCOZADBB-XIKOKIGWSA-N 338.400 3.479 30 40 EGEB biogenic,in-vitro Cc1ccc(CN(CC(=O)N(C)CCC#N)Cc2ccco2)s1 58179637 ULJXNSNPQYMNAS-UHFFFAOYSA-N 331.441 3.024 30 40 EGEB Cc1cc(NC(=O)CSc2ccccc2Cl)n(CCC#N)n1 58226746 JSCREJYHQANLCH-UHFFFAOYSA-N 334.832 3.489 30 40 EGEB Cc1nc(COc2cccc(C(=O)N(CC#N)C3CC3)c2)cs1 58330868 ZIMUCXVEOUSORL-UHFFFAOYSA-N 327.409 3.159 30 40 EGEB C=CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(OC)cc1 6239959 KGKMEEULBBCKNH-GOSISDBHSA-N 349.386 3.460 30 40 EGEB Cc1ccc(C[C@H]2S/C(=N\N=C\c3ccccc3)NC2=O)cc1C 5234025 PBVHAPDKQXTLBV-XNHPLOEXSA-N 337.448 3.468 30 40 EGEB C=CCc1cc(/C=C/c2ncc(C(=O)NC)s2)cc(OC)c1O 65589879 AGLHYEOKTPGJNV-VOTSOKGWSA-N 330.409 3.116 30 40 EGEB CCOc1ccc(C(=O)Nc2sc(C(=O)OC)c(C)c2C#N)cc1 4537767 KPDOLBKQHLDGCC-UHFFFAOYSA-N 344.392 3.366 30 40 EGEB N#Cc1ccc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 7055985 UEHDFCFXVGSOJF-UHFFFAOYSA-N 342.298 3.258 30 40 EGEB CCOc1ccc([C@@H]2C3=C(CCCC3=O)Nc3[nH]nc(O)c32)cc1 18195425 NVBCPFATVBHZOI-CQSZACIVSA-N 325.368 3.079 30 40 EGEB C#CCN1C(=O)S/C(=C/c2cccn2-c2ccccc2F)C1=O 409050003 ZINNNOWIDMQZFB-RVDMUPIBSA-N 326.352 3.286 30 40 EGEB C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(OCC)cc1 224584020 YVLMCLPKZXKUIO-UHFFFAOYSA-N 347.436 3.475 30 40 EGEB C[C@H]1CCCN(c2cc(C(=O)N3CCc4ccc(C#N)cc43)ccn2)C1 291955263 QTPUYZHOAQIFOH-HNNXBMFYSA-N 346.434 3.392 30 40 EGEB N#CC1(NC(=O)CSc2ncc3ccccn23)CCCCCC1 42697054 FPFDMJCONQAAQG-UHFFFAOYSA-N 328.441 3.159 30 40 EGEB Cc1nnc(SCC(=O)N(C)[C@@H]2CCCC[C@H]2C)c(C#N)c1C 97080561 VYLGSWZIHXMOJV-IAQYHMDHSA-N 332.473 3.094 30 40 EGEB CC1=NN(c2ccccc2)C(=O)[C@]12[C@H](c1ccccc1)C2(C#N)C#N 5757811 FHDQRKRZCSVIJW-YLJYHZDGSA-N 326.359 3.226 30 40 EGEB CCNC(=O)Nc1sc2c(c1C#N)CCN(Cc1ccccc1)C2 14162804 XCLGQRSIPSGFBJ-UHFFFAOYSA-N 340.452 3.319 30 40 EGEB C=CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1cccc(F)c1 101231810 SWFGLWAEXFMDND-HVESIFNPSA-N 337.350 3.433 30 40 EGEB N#Cc1ccc(C(=O)Nc2cccc(-c3nnc4n3CCC4)c2)cc1 32908023 HIUUIUXTYGMIOD-UHFFFAOYSA-N 329.363 3.015 30 40 EGEB O=S(=O)(/N=C(/c1ccccc1)N1CCCC1)c1ccc(F)cc1 102966443 MYTWEDIXBYJHDD-ZPHPHTNESA-N 332.400 3.057 30 40 EGEB N#Cc1ccc(OCCN2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1 12284481 KHFFLUACWBXLNA-SFHVURJKSA-N 349.434 3.288 30 40 EGEB Cc1noc(C)c1CCC(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl 103504496 KDRYCBVHRZIQOF-ZDUSSCGKSA-N 345.786 3.225 30 40 EGEB C[C@H]1CCCN(C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@@H]4C[C@H]23)C1 4028569 HCQODXJXLKLAFK-PZVKIFLGSA-N 347.499 3.245 30 40 EGEB COc1cccc(/C=C/C(=O)c2ccc(S(C)(=O)=O)c(OC)c2)c1 57809937 PCVCRRLCYFOVCO-VQHVLOKHSA-N 346.404 3.003 30 40 EGEB C=CCN(C(=O)c1cnsn1)c1nc(-c2ccccc2)cs1 44972535 OXMTXCBLEJVPOS-UHFFFAOYSA-N 328.422 3.494 30 40 EGEB C[C@]12CCC(=O)C=C1CC[C@@H]1[C@H]3CCC(=O)O[C@]3(C)CC(=O)[C@@]12F 104014044 KZCAONRIBQAREG-WTWWFLFCSA-N 334.387 3.085 30 40 EGEB C/C(=N\OCC(=O)N1CCCCCCC1)c1ccc2c(c1)CCO2 98055577 GNWRSHWGXOABSA-HMMYKYKNSA-N 330.428 3.155 30 40 EGEB CCCc1nc(N)nc(Cc2ccc(Br)cc2)c1C#N 223699890 UOMPVNIPYVSQHT-UHFFFAOYSA-N 331.217 3.236 30 40 EGEB COC1(C(=O)Nc2ccc(OC(C)=O)cc2C#N)CCCCCC1 225806758 NHJAQTIIJTVPDS-UHFFFAOYSA-N 330.384 3.161 30 40 EGEB CC(=O)[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3C(=O)C[C@]21C 263605491 PUKLDDOGISCFCP-LLYGSGCFSA-N 344.451 3.017 30 40 EGEB COc1cc(/C=N/c2ccc3[nH]ncc3c2)c([N+](=O)[O-])cc1OC 313024 DHMJOTDBOAITJQ-CAOOACKPSA-N 326.312 3.239 30 40 EGEB O=[N+]([O-])c1ccc(NCCNCC#Cc2ccccc2)c(Cl)c1 16451163 KREPRPUXPIDYEC-UHFFFAOYSA-N 329.787 3.301 30 40 EGEB CC(C)NC(=S)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 72607 YJMPSLCHGVTJTK-CXUHLZMHSA-N 332.385 3.061 30 40 EGEB COc1cc(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)ccc1O 20916655 LLONKQDCXPJTRB-XBXARRHUSA-N 339.391 3.134 30 40 EGEB COc1ccc(-c2cc3c(nn2)-c2ccccc2/C3=N/O)cc1OC 12338479 OLKGIAOPSJGRSR-QOCHGBHMSA-N 333.347 3.368 30 40 EGEB Cc1nc(C)c(S(=O)(=O)/N=C(\O)c2ccccc2Cl)s1 78987716 YFYCLUKFMJVKSZ-UHFFFAOYSA-N 330.818 3.107 30 40 EGEB CC[C@H](NC(=O)CSCc1ccc(C#N)cc1)c1cnn(CC)c1 70009305 JBWFTHJVWXNQIC-KRWDZBQOSA-N 342.468 3.275 30 40 EGEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccccc1 19831930 OQGWBHHBKUUWOV-KRWDZBQOSA-N 331.371 3.428 30 40 EGEB COc1ccc(CCC(=O)Nc2ncccc2OCCCC#N)cc1 69581670 RXEFDEGOODJOIF-UHFFFAOYSA-N 339.395 3.344 30 40 EGEB COc1ccccc1N1CC[C@@H](C/N=C(/N)Nc2ccc(C)cc2)C1 69893529 IFUMDDAUHAUHME-INIZCTEOSA-N 338.455 3.257 30 40 EGEB Cc1nn(Cc2nc(-c3c(F)cccc3F)cs2)c(N)c1C#N 128221624 GVEQJGRGQQRCDD-UHFFFAOYSA-N 331.351 3.095 30 40 EGEB COC[C@H](NC(=O)c1ccc(C#N)cn1)c1cccc(C(F)(F)F)c1 96411031 FCUDURSEMSDXGN-HNNXBMFYSA-N 349.312 3.090 30 40 EGEB C[C@@H](NC(=O)N1CCN(c2cccs2)CC1)c1ccc(C#N)cc1 96462861 XFEISGSHSBUKHT-CQSZACIVSA-N 340.452 3.213 30 40 EGEB N#Cc1cccc(CN2CCc3c(COCC4CC4)cncc3C2)c1 247664333 VKNXOKRYWPDBDU-UHFFFAOYSA-N 333.435 3.438 30 40 EGEB C[C@@H]1CN([C@@H](CNCc2ccc(C#N)cc2)c2cccs2)CCO1 75603935 JPFGQWPRABLDFA-QAPCUYQASA-N 341.480 3.171 30 40 EGEB Cc1cc(C)n2nc(C)c(C(=O)[C@@H](C#N)c3nc4ccccc4[nH]3)c2n1 75830956 ZZFMJTZZKIUSPT-CYBMUJFWSA-N 344.378 3.021 30 40 EGEB CC(C)Oc1ncccc1CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 78985606 FUNSYLSADKHRPO-ZWKOTPCHSA-N 335.407 3.160 30 40 EGEB C=CCSc1nnc(NC(=O)[C@@H](C)Oc2ccc(F)cc2)s1 16008260 MJYUXHSZBGLEHD-SECBINFHSA-N 339.417 3.361 30 40 EGEB C#CCN1C(=O)N(c2cc(C)ccc2C)S(=O)(=O)c2ccccc21 1888989099 QUQAABUQHASSTJ-UHFFFAOYSA-N 340.404 3.072 30 40 EGEB C=C1[C@@H](C(=O)Nc2ccccc2F)[C@@H]1C(=O)Nc1ccccc1F 350429 MGKPWIQRHNFDDV-HZPDHXFCSA-N 328.318 3.344 30 40 EGEB CN(C)c1ccc(/C=N/N=C2/SCC(=O)N2c2ccccc2)cc1 3147158 XXZMPASFZVKJTK-WMNPJARVSA-N 338.436 3.223 30 40 EGEB Cc1c(C#N)c(NC(=O)CNC(C)(C)C)n(-c2ccc(F)cc2)c1C 12549311 MCOIOXRALFFZFP-UHFFFAOYSA-N 342.418 3.432 30 40 EGEB O=C1/C(=C/c2ccccc2)CCC[C@H]1[C@]1(O)C(=O)Nc2ccccc21 55175163 KUCATJLZZZMPTP-XGWRXINTSA-N 333.387 3.279 30 40 EGEB N#Cc1cccc(Oc2ccc(NC(=O)NC[C@@H]3CCCO3)cn2)c1 58210515 SWXBUCJCMNTUMM-INIZCTEOSA-N 338.367 3.046 30 40 EGEB Cc1c(CNC[C@@H](c2ccco2)N2CCCCC2)cc(C#N)n1C 48234821 VJVXTMKZRBOBSQ-SFHVURJKSA-N 326.444 3.115 30 40 EGEB COc1ccc(-c2cc(C(=O)Nc3ccc(C#N)cc3)n[nH]2)c(OC)c1 57412919 FPZGNEDRLLHZST-UHFFFAOYSA-N 348.362 3.218 30 40 EGEB N#Cc1ccccc1C(=O)c1cccc(I)c1 2392638 YAMSOGVCQNPOEI-UHFFFAOYSA-N 333.128 3.394 30 40 EGEB CC(=O)N(C(C)=O)c1c(C#N)c2ccccc2n1C(=O)c1ccccc1 28535238 VGIPUSLJDBBLSB-UHFFFAOYSA-N 345.358 3.101 30 40 EGEB N#Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)nc1 96007652 ZNPIRQCXZSPODN-UHFFFAOYSA-N 336.229 3.133 30 40 EGEB N#Cc1ccccc1COC(=O)COc1ccc(Br)cc1 6552556 SUEHIEVCHWYENN-UHFFFAOYSA-N 346.180 3.443 30 40 EGEB CC(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C#N)c1C 409057344 KTNDUGVDAGIMBJ-UHFFFAOYSA-N 329.337 3.291 30 40 EGEB Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(c2ccc(C#N)nc2)C1 520261714 WRUHRJABDGYBRZ-NSHDSACASA-N 335.333 3.090 30 40 EGEB CCCSc1nc(N)c(C#N)c(COc2ccc(OC)cc2)n1 223694201 DAVOZAVDKONVKQ-UHFFFAOYSA-N 330.413 3.020 30 40 EGEB N#C[C@@H](C(=O)c1nnn(-c2ccccc2)c1C1CC1)c1ccccn1 96402619 JRTXXUCDZVEREU-OAHLLOKOSA-N 329.363 3.030 30 40 EGEB C/C(=N\Nc1ccccc1)c1ccc(-n2nnc(C(=O)O)c2C)cc1 96306057 NHBCIXAXTAXYDP-XDHOZWIPSA-N 335.367 3.110 30 40 EGEB CC(C)(CNC(=O)c1cc(-c2cccc(C#N)c2)no1)c1ccncc1 619123243 PAEKAEIXAFLCTK-UHFFFAOYSA-N 346.390 3.316 30 40 EGEB COc1cc(C)c([C@@H](C)Nc2nnc(C)c(C)c2C#N)cc1OC 52159117 LHGFJPAUEPQLNE-CYBMUJFWSA-N 326.400 3.464 30 40 EGEB Cc1ccc(NC(=O)[C@H]2CCCN2/C=C/C(=O)C(F)(F)F)cc1C 4119709 DETNJZDPAWXEMO-RCQQVGEISA-N 340.345 3.351 30 40 EGEB C=CCOC(=O)Nc1ccc(S(=O)(=O)N(CCC)CCC)cc1 1703576 JWMBRVJMCAMFND-UHFFFAOYSA-N 340.445 3.232 30 40 EGEB COc1ccc(-c2nnc(S[C@H](C)C#N)n2C[C@@H]2CCCO2)cc1 3427949 YDRLZBHIDOKQCS-DOMZBBRYSA-N 344.440 3.137 30 40 EGEB O=[N+]([O-])c1ccc(N/N=C2\[C@H]3[C@H]4C[C@H]5[C@@H]6[C@H]4C[C@H]3[C@H]6[C@H]25)c([N+](=O)[O-])c1 103444415 KSEOYFBWVDHLNF-WGFWLOERSA-N 340.339 3.049 30 40 EGEB Cc1ccccc1[C@H]1CN(C(=O)Cc2ccc(C#N)cc2)[C@H](C)CO1 174389074 WPARXJDAJFNLLQ-OXQOHEQNSA-N 334.419 3.398 30 40 EGEB C#CCOc1ccccc1/C=C1/C(=O)N(C(=O)c2ccccc2)N=C1C 408935295 CNRVENVZPCADEE-NBVRZTHBSA-N 344.370 3.141 30 40 EGEB Cc1nc(S[C@@H](C)C(=O)Nc2ccccc2C#N)nc(C)c1C 8988725 CDJOGQHSARDINF-ZDUSSCGKSA-N 326.425 3.393 30 40 EGEB CNc1nnc(S[C@H](C)C(=O)N(CCC#N)c2ccccc2)s1 7102217 BBJHFKNJSGVLDH-LLVKDONJSA-N 347.469 3.007 30 40 EGEB N#Cc1ccccc1NC(=O)CN(Cc1ccco1)Cc1ccco1 7725755 OMOWLYQVGCLEGH-UHFFFAOYSA-N 335.363 3.385 30 40 EGEB COCCOCc1cc(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)ccc1F 96426534 XHJRUJZPJLZQTN-IFXJQAMLSA-N 348.418 3.191 30 40 EGEB N#Cc1cccnc1N1CCCN(Cc2ccc(Cl)s2)CC1 71824880 ROEYVEKEKPTTFR-UHFFFAOYSA-N 332.860 3.380 30 40 EGEB Cc1nc([C@@H]2CCCN(c3nc(C(F)(F)F)ccc3C#N)C2)no1 72286170 NKWCQSIKWQEYJP-LLVKDONJSA-N 337.305 3.048 30 40 EGEB CCc1nnc(Sc2nnc(-c3ccco3)n2C)c(C#N)c1CC 95411903 QMGYUFXJZIJPEG-UHFFFAOYSA-N 340.412 3.013 30 40 EGEB COCCN(Cc1ccc(C#N)cc1)[C@@H]1CCN(Cc2ccccc2)C1 95457089 LCVFWSJQOUBLTJ-JOCHJYFZSA-N 349.478 3.281 30 40 EGEB N#CC1(C#N)[C@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 218054497 NHEULVPMMNQAKI-HZPDHXFCSA-N 342.807 3.313 30 40 EGEB CCn1cc(-c2ccnc(N/N=C/c3ccc(F)s3)n2)c(C)n1 225390698 QCAJIJIBVMLJPU-QGMBQPNBSA-N 330.392 3.315 30 40 EGEB C[C@H](Nc1cnn(Cc2ccccc2)c1)C(=O)Nc1ccccc1C#N 97377329 WCZFHSNVWQCSMW-HNNXBMFYSA-N 345.406 3.242 30 40 EGEB C=CCOC[C@H]1c2nnn(CC3CC3)c2CCN1CC1CCCCC1 2055747488 BMPTZYLGYIICKC-IBGZPJMESA-N 344.503 3.370 30 40 EGEB CC[C@@H](C)NC(=O)CO/N=C(\C)c1nc2ccccc2n1C(F)F 22322435 ISKGYAFVWGYWHW-GJHHCYNMSA-N 338.358 3.087 30 40 EGEB C=CCN(CCc1ccccc1)C(=O)Nc1ccc2c(c1)CC(=O)N2 71905421 LJYHVHXVHPLVJQ-UHFFFAOYSA-N 335.407 3.444 30 40 EGEB C=CC(=O)/N=C1\N=C2C=CC(Br)=CN2Cc2ccccc21 102942979 XOFIBHBYQROHBG-MNDPQUGUSA-N 342.196 3.166 30 40 EGEB N#CCC[C@H](C#N)CN1CCC[C@H](c2cc(C(F)(F)F)[nH]n2)C1 107143110 OJAREHRCAZBJIS-NEPJUHHUSA-N 325.338 3.051 30 40 EGEB Cc1ccc(C#N)cc1NC(=O)NC[C@H](c1cccs1)N(C)C 58453576 DJYUAYNBQUYDBB-OAHLLOKOSA-N 328.441 3.353 30 40 EGEB Cc1cc(OCC(=O)n2ncc(C#N)c2N)c(C(C)C)cc1Cl 58407561 OCYYVEWNUVFIJX-UHFFFAOYSA-N 332.791 3.141 30 40 EGEB C[C@@H](NCC(=O)Nc1sc2c(c1C#N)CCC2)c1cccs1 14184884 FKXVUXRKFZULIB-SNVBAGLBSA-N 331.466 3.459 30 40 EGEB C=CCn1c(SC[C@H]2CCCO2)nc2sc3c(c2c1=O)CCC3 7084771 UCYDRZZEADAQEN-LLVKDONJSA-N 348.493 3.404 30 40 EGEB N#C[C@]1(NC(=O)c2cc(C3CC3)nc3ccc(F)cc23)CCSC1 72302834 WOVOEXPDISRBKV-GOSISDBHSA-N 341.411 3.380 30 40 EGEB CCN(CCC#N)C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 72309862 RJBBMUUKBRVOLO-UHFFFAOYSA-N 342.443 3.470 30 40 EGEB CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCC#N)c(OC)c2)C1=O 409013475 AEPCWYXISOVZHK-HGLKBHAMSA-N 346.408 3.432 30 40 EGEB N#Cc1ccccc1OCC(=O)NCc1ccccc1C(F)(F)F 27935712 XLNUUFLVGWXQOA-UHFFFAOYSA-N 334.297 3.272 30 40 EGEB CCN(CC)c1ccc(/C=N/Nc2ncccc2[N+](=O)[O-])c(OC)c1 409089979 NXEZGGZTHJLCHY-XDHOZWIPSA-N 343.387 3.291 30 40 EGEB N#Cc1ccc(S(=O)(=O)CCN2CCC[C@@H]2c2cccs2)cc1 81512330 UQIIAARIQPYHCE-MRXNPFEDSA-N 346.477 3.231 30 40 EGEB C[C@@H]1C[C@@H]1[C@H](NS(=O)(=O)CCCC#N)c1ccc(Cl)cc1 96428564 FMHNQUUBOSAELJ-BYCMXARLSA-N 326.849 3.260 30 40 EGEB COc1ccc(/C(C)=N/NC(=S)NCCc2ccccc2)cc1 5416263 GJEGMRJNCYACLS-XSFVSMFZSA-N 327.453 3.126 30 40 EGEB CC(=O)[C@@H]1OC(=O)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C 252515699 MWNGEGBEVJTPIP-INWOFZLFSA-N 342.435 3.405 30 40 EGEB biogenic,in-vitro Cc1cc2c(cc1C)C(=O)C(N1CCOCC1)=C(c1ccccc1)C2=O 2707139 GSDLHULIDNVPSS-UHFFFAOYSA-N 347.414 3.426 30 40 EGEB C[C@@H](N)Cc1cc(C#N)c2c(c1)CCN2CCCOCc1ccccc1 34021631 XYFDLYCEXANTHE-QGZVFWFLSA-N 349.478 3.417 30 40 EGEB O=C1N/C(=N/C2CCCC2)S/C1=C\c1cc2ccccc2nc1O 102179291 XRVPXHKVKVMVJK-GDNBJRDFSA-N 339.420 3.443 30 40 EGEB N#CC(C#N)=c1ccc2c(c1)N1C3=C(CCCC3)C[C@H]3CCCC[C@]31N=2 494033 JFTMWZCGZPOWHG-XMSQKQJNSA-N 342.446 3.442 30 40 EGEB N#Cc1cccc(CSc2nnnn2-c2ccc(Cl)cc2)c1 6034931 HZUFWXWFTIESSG-UHFFFAOYSA-N 327.800 3.480 30 40 EGEB C=CCCO[C@H](C)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 71909305 MXFZCFWSIZCTPK-DLBZAZTESA-N 330.472 3.309 30 40 EGEB C=CCOC(=O)[C@@H](Cc1ccccc1)NC(=S)Nc1ccccc1 6361768 YPHMJBLVPUSTDV-QGZVFWFLSA-N 340.448 3.314 30 40 EGEB COc1ccc(C[C@@H](C#N)C(=O)Nc2ccc(F)cc2)c(OC)c1 57524924 SXVSNCSQEIGBRH-ZDUSSCGKSA-N 328.343 3.164 30 40 EGEB COc1ccc(C[C@H](C#N)C(=O)Nc2ccccc2F)c(OC)c1 57525156 MUPJOTAYEFXBHG-CYBMUJFWSA-N 328.343 3.164 30 40 EGEB C=CCc1cc(C(=O)Nc2nnc(CC)s2)cc(OC)c1OC 8942592 MBHXJTQCALYKGY-UHFFFAOYSA-N 333.413 3.099 30 40 EGEB C=C(C)c1ccccc1NC(=O)Cc1nn(C)c(=O)c2ccccc12 6262259 SXLUEDHGDOITTI-UHFFFAOYSA-N 333.391 3.148 30 40 EGEB C=CCN(Cc1cccs1)C(=O)c1[nH]c(C)c(C(=O)OC)c1C 14701299 VLMIUORZQYLZAG-UHFFFAOYSA-N 332.425 3.308 30 40 EGEB COc1ccc(CN(C)[C@H](C)C(=O)Nc2ccccc2C#N)cc1F 8308663 QPBAZEROHBCNDP-CYBMUJFWSA-N 341.386 3.165 30 40 EGEB N#CC1(NC(=O)Cc2cc3c(ccc4ccccc43)o2)CCOCC1 95435519 MVVQBQPTDJPPCA-UHFFFAOYSA-N 334.375 3.317 30 40 EGEB C[C@@H]1CN([C@@H](CNCc2cccc(C#N)c2)c2cccs2)CCO1 75603937 OQMCZLKPTLMEML-QAPCUYQASA-N 341.480 3.171 30 40 EGEB CC(C)(C)n1cc(C#N)cc1NC(=O)c1ccc(Cn2cccn2)o1 75607150 PAMQRBMUQBHNBX-UHFFFAOYSA-N 337.383 3.205 30 40 EGEB CC(C)OC(=O)COc1ccc(/C=N/c2cccc(C(=O)O)c2)cc1 409187335 PAINQVZBVXVUKA-RGVLZGJSSA-N 341.363 3.466 30 40 EGEB C=CCN1C(=O)CCC[C@@]12CCCN(C(=O)c1sccc1C)C2 96229911 NKKCOMPZQYHDQJ-SFHVURJKSA-N 332.469 3.230 30 40 EGEB Cc1nc(C(=O)N2CCCN(C)c3ccc(Cl)cc32)ccc1C#N 96425537 AGFTWHPRFMBSBM-UHFFFAOYSA-N 340.814 3.402 30 40 EGEB O=C1[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1cccc2ccccc12 253560747 BEURJWSVPJQBHB-JITGYQMGSA-N 330.387 3.371 30 40 EGEB C#CCOc1ccccc1CN1CCC(O)(c2ccc(C)cc2)CC1 12344676 KLXDWDFBECKBMS-UHFFFAOYSA-N 335.447 3.491 30 40 EGEB N#Cc1cnc(N2CC[C@H](COc3ccc(F)cn3)C2)c(Cl)c1 1889101114 NPMNFDZUHXLTEI-NSHDSACASA-N 332.766 3.046 30 40 EGEB N#Cc1cccc(C(=O)NC[C@@H](O)c2ccc(-c3cccs3)o2)c1 1775967477 SVQIOTUFNQNMMO-CQSZACIVSA-N 338.388 3.343 30 40 EGEB N#CCCN(CCC#N)Cn1nc(-c2ccccc2F)oc1=S 21321141 WSAJKEUKSVPGFM-UHFFFAOYSA-N 331.376 3.099 30 40 EGEB Brc1ccccc1-c1ccc(/C=N/N2CCOCC2)o1 7990220 LPIFMOFPPQHRPE-GZTJUZNOSA-N 335.201 3.375 30 40 EGEB O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccc2[nH]cnc2c1 24506790 GUFDXQHTQONGCC-UHFFFAOYSA-N 343.308 3.363 30 40 EGEB Cc1nc(NC(=O)CN(C)Cc2ccccc2)sc1SCC#N 58308567 HSPVMPXDWGKVCK-UHFFFAOYSA-N 346.481 3.138 30 40 EGEB Cc1ccc(/N=C\c2ccc(OCC(N)=O)cc2)c(Br)c1 408961096 ACSHHWPTYYSYNV-OCKHKDLRSA-N 347.212 3.372 30 40 EGEB CC1CCN(c2nnc(SCCCC#N)n2C[C@H]2CCCO2)CC1 65491982 QSOKMWMANJRPBP-OAHLLOKOSA-N 349.504 3.089 30 40 EGEB N#Cc1ccc(NC[C@H]2CCN(Cc3cccc4cccnc34)C2)nc1 65496585 FZXUANYYAXKUEZ-QGZVFWFLSA-N 343.434 3.435 30 40 EGEB CSc1nc2n(n1)[C@@H](c1ccc(F)cc1)C1=C(CCCC1=O)N2 4436051 AYIOOYWUWUCYFS-AWEZNQCLSA-N 330.388 3.161 30 40 EGEB N#Cc1nccnc1Sc1nnc(COc2ccc(Cl)cc2)o1 65607862 QXNWLBXBDZGHSS-UHFFFAOYSA-N 345.771 3.115 30 40 EGEB Cc1ccccc1C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 7265447 ZESWRAQHFCWIMJ-UHFFFAOYSA-N 347.418 3.358 30 40 EGEB CCn1cc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cn1 71894070 RUWWYULATDFLSR-UHFFFAOYSA-N 333.351 3.214 30 40 EGEB COCCCCN/C(=N/Cc1ccc(OC)cc1)NC1CCCC1 73463461 IPNCTMKFYBHPOO-UHFFFAOYSA-N 333.476 3.100 30 40 EGEB C#CCN1C(=O)S/C(=C/c2ccc(N3CCCCCC3)o2)C1=O 408916325 BXKYSVCYTOREDZ-WYMLVPIESA-N 330.409 3.330 30 40 EGEB COc1ccc([C@@H]2[C@@H](C#N)[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 218118162 BESUSWDQCYIADA-ZACQAIPSSA-N 347.823 3.428 30 40 EGEB O/C(=N/C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1ccoc1C1CC1 330031619 BFWXKSMVIBMEAF-IAGOWNOFSA-N 332.444 3.230 30 40 EGEB N#Cc1ccc(C(F)(F)F)nc1N[C@@H](CO)c1ccc(F)cc1 71909392 HPHJTEGYSFMGPY-LBPRGKRZSA-N 325.265 3.257 30 40 EGEB CC1=NC(=N)S/C1=N\NC1=C(C)[C@@H](C)[C@@H](c2ccccc2)C1=O 1554503363 GQOASFRDYQRXMK-IZFNDQOPSA-N 326.425 3.309 30 40 EGEB N#CCCN(CCC#N)c1scc[n+]1Cc1ccc(Cl)cc1 3172965 AHKAUYKOBLLCED-UHFFFAOYSA-N 331.852 3.371 30 40 EGEB C[C@H](O/N=C/c1ccccc1)c1nc(N)nc(Nc2ccccc2)n1 12645778 RQTUGYWJICNSDL-DZUMZMOTSA-N 334.383 3.309 30 40 EGEB Cc1ccc(S(=O)(=O)/N=C(\O)c2c(C)noc2C(C)C)c(C)c1 48475514 ALOJXEQMKMFDJQ-UHFFFAOYSA-N 336.413 3.417 30 40 EGEB N#Cc1ccccc1NC(=O)CN1CCC(Cc2ccccc2)CC1 3537952 XRNDXPPGEZLGCF-UHFFFAOYSA-N 333.435 3.451 30 40 EGEB C[C@H](C#N)CSc1ccccc1NC(=O)CCNC(=O)C(C)(C)C 65453546 VHDFFNVAILYAKB-CYBMUJFWSA-N 347.484 3.429 30 40 EGEB N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C2CCCCC2)CC1 14160603 TYGLYUYRRDNTRD-GOSISDBHSA-N 329.419 3.115 30 40 EGEB N#C[C@@H](C(=O)c1nnn(-c2ccc(F)cc2)c1C1CC1)c1ccccn1 71850167 CGWNLNXCRHPCLT-OAHLLOKOSA-N 347.353 3.169 30 40 EGEB COc1ccc(C)cc1NC(=O)[C@@H](C)Oc1ccc(C#N)cc1OC 7858416 POHHCJPFJOAVBA-CYBMUJFWSA-N 340.379 3.290 30 40 EGEB N#CCN1CCC(NC(=O)CC(c2ccccc2)c2ccccc2)CC1 69708129 QUDMVCBUZSBWEF-UHFFFAOYSA-N 347.462 3.313 30 40 EGEB O=C1CC(c2ccccc2)CC(=O)C1=C1OCCN1Cc1ccccc1 20800788 ZPMGFEPEUWGXJO-UHFFFAOYSA-N 347.414 3.446 30 40 EGEB C=CCN(C[C@@H](C)c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 189781479 QGVDISCPZDGJIP-CZUORRHYSA-N 327.877 3.119 30 40 EGEB COc1ccc(Cn2nc(Cc3cccc(C)c3)c(C#N)c2N)cc1 225847823 ZPZKYVUXBNYRMA-UHFFFAOYSA-N 332.407 3.293 30 40 EGEB Cc1sc2ncnc(OCC(=O)Nc3cccc(C#N)c3)c2c1C 2620445 PYESIJQNFOYDTC-UHFFFAOYSA-N 338.392 3.197 30 40 EGEB CN(Cc1ccc(C#N)cc1)C(=O)c1ccn(-c2cccc(F)c2)n1 58282802 GOQZYTJNSHXQRL-UHFFFAOYSA-N 334.354 3.155 30 40 EGEB CC1(C)Cc2ccccc2C2=C(C(=O)c3ccccc3)C(=O)C(=O)N21 2422493 XZJRGNYNZRQETM-UHFFFAOYSA-N 331.371 3.027 30 40 EGEB CN(CCC#N)C(=O)CSc1ncc(-c2ccc(Cl)cc2)o1 14163193 GRRXXOSYLHDDAV-UHFFFAOYSA-N 335.816 3.459 30 40 EGEB COc1ccc(C2(CNCc3ccc(C#N)cc3)CCOCC2)cc1 67252880 ASOSUSOQVWDFPJ-UHFFFAOYSA-N 336.435 3.405 30 40 EGEB Cn1c(SCC(=O)Nc2sccc2C#N)nnc1C1CCCC1 17072292 JRDWWUUPTFXAIP-UHFFFAOYSA-N 347.469 3.137 30 40 EGEB CC(C)N(Cc1cccnc1)C(=O)CSc1ccc(C#N)cc1 69414619 IGSORHVLCQJXEK-UHFFFAOYSA-N 325.437 3.483 30 40 EGEB N#Cc1ccccc1CSCCNC(=O)c1ccccc1[N+](=O)[O-] 18704623 QQOWPRDDHWVSHV-UHFFFAOYSA-N 341.392 3.130 30 40 EGEB C#CCN1CCC(C(=O)N(C)[C@@H](C)Cc2ccc(Cl)cc2)CC1 71914782 FAOATVIUIDBOGE-HNNXBMFYSA-N 332.875 3.075 30 40 EGEB N#CCC(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 97097312 QFXPKWNUUMAGRY-UHFFFAOYSA-N 325.315 3.359 30 40 EGEB Cc1ccc(C#N)cc1S(=O)(=O)/N=C(\O)CCc1ccsc1 79355802 IKQSZQWRCKMQRH-UHFFFAOYSA-N 334.422 3.206 30 40 EGEB C#CCN1C(=O)S/C(=C\c2cc(C)n(-c3cccnc3)c2C)C1=O 16268672 ACLCYWLQMVIFEV-YBEGLDIGSA-N 337.404 3.159 30 40 EGEB O=C1[C@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C(=O)N1/N=C/c1c(O)ccc2ccccc12 169305726 FGSNUPZWVPHNII-XJZNCFEASA-N 346.386 3.077 30 40 EGEB C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(Cc2ccc(C#N)cc2)C1=O 6108341 XHWGDKGZGVFAIW-NRFANRHFSA-N 345.402 3.014 30 40 EGEB N#Cc1ccc(OCCOC(=O)COc2ccc(F)cc2Cl)cc1 21440166 MDPBIOOQKLCBBB-UHFFFAOYSA-N 349.745 3.352 30 40 EGEB O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN1/C=C/C(=O)C(F)(F)F 4175675 UTWCDHZBSFSAKW-CRALRDPISA-N 346.736 3.388 30 40 EGEB Cc1ccc2cc(C#N)c(SCC(=O)NCc3ccco3)nc2c1 422298 XXGDXPNLEBRROM-UHFFFAOYSA-N 337.404 3.416 30 40 EGEB aggregator N#Cc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1 10544435 XBUOWVQUBRCNGF-MRXNPFEDSA-N 330.391 3.454 30 40 EGEB CC(=O)Nc1ccc(/N=C/c2ccc(O[C@H](C)C(=O)O)cc2)cc1 59678923 JAJNRAPMUFFIIQ-ZGXHQARYSA-N 326.352 3.248 30 40 EGEB C=CCN(Cc1ccccc1F)C(=O)c1ccc(S(C)(=O)=O)cc1 58192964 MGSUBXCRZZMXQV-UHFFFAOYSA-N 347.411 3.058 30 40 EGEB CNC(=O)CSc1nc(C(C)(C)C)cc(C(F)(F)F)c1C#N 8843591 XNFRSTOPOQEHKG-UHFFFAOYSA-N 331.363 3.108 30 40 EGEB Cc1c(NCCOc2ccc(C#N)cc2)cccc1N1CCCC1=O 58357868 JBCCRBYRSJBBLU-UHFFFAOYSA-N 335.407 3.484 30 40 EGEB C=CCn1c(C)nnc1SCC(=O)Nc1cccc(Cl)c1C 12851209 DGGDLRMOVALEKL-UHFFFAOYSA-N 336.848 3.465 30 40 EGEB Cc1cccc(OCc2nc(C#N)c(N3C[C@H](C)O[C@H](C)C3)o2)c1 16745626 XSODRGURJJWSRS-OKILXGFUSA-N 327.384 3.047 30 40 EGEB C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC1CCC(O)CC1 96416868 PWGBCQYNNRVTMH-UHFFFAOYSA-N 343.345 3.304 30 40 EGEB C=CCN(Cc1c(C)noc1C)S(=O)(=O)c1ccc(Cl)cc1 9502319 KMDNEBFRHQNQMV-UHFFFAOYSA-N 340.832 3.322 30 40 EGEB C=CCCO[C@@H](C)C(=O)N(C)[C@@H](c1cccc(F)c1)c1cnn(C)c1 72291351 LILVWBLMKDMAHY-KSSFIOAISA-N 345.418 3.088 30 40 EGEB Cc1nn(C)c(Cl)c1[C@@H]1CCCN1C(=O)c1cccc(CC#N)c1 72234211 FXXIZXXXAWDTIP-HNNXBMFYSA-N 342.830 3.425 30 40 EGEB Cc1cc(NCCO)nc(NCc2ccc(OC(C)C)cc2)c1C#N 71279611 YXAFZQVLOIDPFS-UHFFFAOYSA-N 340.427 3.065 30 40 EGEB C=CCN(c1ccccc1F)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224749241 LKZMEGMOWRGGBT-UHFFFAOYSA-N 336.344 3.115 30 40 EGEB CN(C)[C@H](CNC(=O)c1cccc(CC#N)c1)c1c(F)cccc1F 96406372 JUKCJFYGMIENLJ-QGZVFWFLSA-N 343.377 3.064 30 40 EGEB N#CCOc1ccc(CNC(=O)[C@H]2SCCc3ccccc32)cc1 96430872 RWEAPAATNPQPTD-SFHVURJKSA-N 338.432 3.236 30 40 EGEB CCC(CC)n1ccc(C(=O)[C@H](C#N)c2nnc3n2CCCCC3)n1 676247377 YMBCLXYZKPFVTL-AWEZNQCLSA-N 340.431 3.052 30 40 EGEB N#Cc1ncn(-c2ncnc3scc(-c4ccc(Cl)cc4)c23)n1 22316166 JWYBZBSMMPPIBA-UHFFFAOYSA-N 338.783 3.464 30 40 EGEB C=CCc1cc(OC)ccc1OC[C@H](O)CN1C[C@@H](C)C[C@H](C)C1 106215426 UQCLISNAFXATMP-XYJFISCASA-N 333.472 3.141 30 40 EGEB Cc1ccc(S(=O)(=O)OC2CCN(Cc3ccccc3)CC2)cc1 79436763 PZKDDWLNFPJDCG-UHFFFAOYSA-N 345.464 3.365 30 40 EGEB N#CCOc1ccccc1/C=C1\SC(NC2CCCCC2)=NC1=O 21191122 GCZWJYZHWXWUIO-VBKFSLOCSA-N 341.436 3.482 30 40 EGEB Cc1nc(C)c(C#N)c(S[C@H](C)C(=O)Nc2cccc(F)c2)n1 12778413 IOBGHQXNSRRVEQ-SNVBAGLBSA-N 330.388 3.224 30 40 EGEB N#Cc1ccc(NC[C@@H]2CCN(Cc3nc4ccccc4s3)C2)nc1 65496799 OKUHJMCXZMASLL-HNNXBMFYSA-N 349.463 3.497 30 40 EGEB CC(=O)Nc1ccc(/C(C)=N/OCC(=O)N[C@H]2CCCC[C@H]2C)cc1 14397331 MNHOSFMCNXYHBR-NTWZGBMNSA-N 345.443 3.081 30 40 EGEB CC(C)N1C(=O)/C(=N\Nc2nncc3ccccc23)c2ccccc21 6887303 HBDRZBQKKZUJIP-FXBPSFAMSA-N 331.379 3.201 30 40 EGEB N#Cc1ccc(C(=O)NCc2ccccc2CN2CCCCC2)cc1 7849970 XYFVTWDMFMKDBJ-UHFFFAOYSA-N 333.435 3.474 30 40 EGEB C=CCCO[C@@H](C)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C 69322528 GCHSFXQDDKACCR-KRWDZBQOSA-N 345.487 3.057 30 40 EGEB C[C@@H](c1cccnc1)N(C(=O)[C@@H](C)Oc1ccc(C#N)cc1)C1CC1 69432706 DARFAQMQMIPZKI-LSDHHAIUSA-N 335.407 3.473 30 40 EGEB C=CCO[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 69739090 VURVPLIBLFXTBL-JTQLQIEISA-N 333.369 3.248 30 40 EGEB C=CCN(C(=O)NCC[S@@](=O)Cc1ccccc1)c1ccccc1 95960361 GPXOWBNXAKGYPP-DEOSSOPVSA-N 342.464 3.338 30 40 EGEB N#CC1(C#N)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 218338722 ODLSSQLBJPWCRF-CVEARBPZSA-N 342.807 3.313 30 40 EGEB O=C(/C=C/c1cccc(Oc2ccccc2)c1)ON1C(=O)CCC1=O 97942951 DPQOCIOPLOGHNL-FMIVXFBMSA-N 337.331 3.099 30 40 EGEB Cc1nn(C)c2ncc(C(=O)Nc3ccc(Cl)c(C#N)c3)cc12 97037475 YQEGRMNMUCFKBV-UHFFFAOYSA-N 325.759 3.054 30 40 EGEB CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)[C@H](O)C[C@@H]4[C@@H]3CC[C@]12C 257345800 JKBAFSADZLHGPF-KSYFULEYSA-N 332.440 3.031 30 40 EGEB C=CCSCC(=O)N1CCC(Oc2ccccc2OCC)CC1 55623194 BYAKOJKRXWOGMO-UHFFFAOYSA-N 335.469 3.374 30 40 EGEB C[C@@H](OC[C@H]1CCCCO1)C(=O)Nc1cc(C#N)cn1C(C)(C)C 78665246 JMFDTJMRJNEBPK-UKRRQHHQSA-N 333.432 3.027 30 40 EGEB Cc1ccc(NC(=O)[C@@H]2CCCN2/C=C/C(=O)C(F)(F)F)cc1C 4119708 DETNJZDPAWXEMO-KGXGESDWSA-N 340.345 3.351 30 40 EGEB CC(C)(C)OC(=O)N1CCC(C#Cc2ccc(C(=O)O)cc2)CC1 1614733487 MXFYILJORTXNER-UHFFFAOYSA-N 329.396 3.383 30 40 EGEB COc1cccc([C@@]2(O)CC[C@H]3CN(Cc4cccc(C#N)c4)C[C@@H]32)c1 13568921 LAKGZRJWGZDTEI-NYVOZVTQSA-N 348.446 3.296 30 40 EGEB CN1C(=O)C[C@H](C(=O)O)S/C1=N/c1cc(Cl)cc(Cl)c1 100083264 NMSFGLSIKFCNBA-JWXOYPTNSA-N 333.196 3.029 30 40 EGEB COc1cccc(OC[C@H]2CCCN(Cc3ccc(C#N)cc3)C2)n1 2080571175 WOLNUBOQABODIH-SFHVURJKSA-N 337.423 3.253 30 40 EGEB Cc1ccc(OCCOC(=O)c2ccc(NC(=O)CC#N)cc2)cc1 4828067 QGXRWFLNUUTSAV-UHFFFAOYSA-N 338.363 3.083 30 40 EGEB CS/C(=N\C#N)O/C=C/C(=O)c1ccc(Br)cc1 6850172 AFSPEGIZXALIEZ-JMGLOCJTSA-N 325.187 3.362 30 40 EGEB Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1ccc(C#N)cc1 106028292 QYMDIFHQTYTRQT-UYAOXDASSA-N 331.419 3.315 30 40 EGEB Cn1c(SCCOc2ccc(C#N)cc2)nc2sccc2c1=O 36807179 NNHQOEYDOAUACA-UHFFFAOYSA-N 343.433 3.038 30 40 EGEB CCCCN1C(=O)/C(=N\Nc2cccc(C(=O)O)c2)c2ccccc21 13351401 PPCQEACFGLZUID-FXBPSFAMSA-N 337.379 3.348 30 40 EGEB C=CCN1C(=O)S/C(=C/c2cc(Cl)c(O)c(OC)c2)C1=O 409068308 RSXZHLCGORDSRX-YRNVUSSQSA-N 325.773 3.277 30 40 EGEB COC(=O)[C@H](NCc1ccc(F)c(Cl)c1)c1cccc(C#N)c1 83031139 CMUSCYXVWNJZHM-MRXNPFEDSA-N 332.762 3.355 30 40 EGEB O=C(/C=C1\NCCc2cc3c(cc21)OCO3)c1ccc(Cl)cc1 5421110 QSQOYJWWPRDKEV-DHDCSXOGSA-N 327.767 3.438 30 40 EGEB N#Cc1cnn(-c2ccc(NC(=O)NC3CCCCCC3)cc2)c1N 69023996 BOWZVHCYZKJZEW-UHFFFAOYSA-N 338.415 3.170 30 40 EGEB CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Cn2cccn2)cc1 69201244 TUMMAVJKXPHEKG-UHFFFAOYSA-N 345.406 3.467 30 40 EGEB C/C(=N\N=c1\sc2ccccc2n1C)c1ccc(-n2cncn2)cc1 96845474 YDPNEQPCOXAOTP-UWKFFLMPSA-N 348.435 3.145 30 40 EGEB Cc1nc([C@@H]2CCCCCN2C(=O)Nc2ccc(C#N)cc2)no1 95998984 UYVZEPIUOCFPHW-HNNXBMFYSA-N 325.372 3.399 30 40 EGEB N#Cc1cccc(C(=O)NC2(c3ccc(F)cc3F)CCOCC2)c1 89855571 MRCMAFSHDJSBTO-UHFFFAOYSA-N 342.345 3.272 30 40 EGEB Cn1c([C@H](C#N)C(=O)c2cc(-c3ccccc3)[nH]n2)nc2ccccc21 122197390 SOQUOSWPLFGWRD-CQSZACIVSA-N 341.374 3.453 30 40 EGEB Cn1cc(/C=C2\Oc3cc(OCC(=O)O)ccc3C2=O)c2ccccc21 504390774 ARZGZXFGEJGXLD-LSCVHKIXSA-N 349.342 3.258 30 40 EGEB C=C(Cl)CN1C(=O)CCc2cc(SCCC(=O)O)ccc21 218813250 FWYIATASHJOIQU-UHFFFAOYSA-N 325.817 3.285 30 40 EGEB N#Cc1ccc(NCC(=O)OCc2cn3cc(Cl)ccc3n2)cc1 62591134 VSXUENUPAPOUAC-UHFFFAOYSA-N 340.770 3.015 30 40 EGEB COc1ccc(-c2nnc(S)n2/N=C\C=C\c2ccco2)cc1 12463602 QPNUKAIDUWHRER-IHGSSGOFSA-N 326.381 3.383 30 40 EGEB CCn1ccnc1SCC(=O)Nc1sc2c(c1C#N)CCC2 11889424 GZBWZRPHBNRFPF-UHFFFAOYSA-N 332.454 3.056 30 40 EGEB N#Cc1ccccc1OCC(=O)N[C@H]1CCCC[C@@H]1C(F)(F)F 22912736 UMRSOCCZEXSEGU-STQMWFEESA-N 326.318 3.174 30 40 EGEB CN1C(=O)N[C@H](c2ccc(Br)cc2)C2=C1CCCC2=O 67229 TVYQUTVMCNDNOP-CQSZACIVSA-N 335.201 3.152 30 40 EGEB Cc1ccc(S(=O)(=O)N(CCC#N)c2ccccc2)c([N+](=O)[O-])c1 108760327 NNJZYRYFMTZGHZ-UHFFFAOYSA-N 345.380 3.012 30 40 EGEB O=C1N/C(=N\c2ccccc2)S/C1=C/c1ccccc1[N+](=O)[O-] 20508847 KEJUXEVYTWYCHK-GXDHUFHOSA-N 325.349 3.486 30 40 EGEB C=CCN1C(=O)[C@]2(Nc3ccccc3C(=O)N2CC=C)c2ccccc21 58191277 QGZJWXLYNGAUGD-NRFANRHFSA-N 345.402 3.126 30 40 EGEB C[C@H](NC(=O)COc1ccc(C#N)cc1)c1nc(-c2ccccc2)c[nH]1 58225090 DBMBYDSSYZLHID-AWEZNQCLSA-N 346.390 3.205 30 40 EGEB CCc1ccc(NC(=O)Cn2cc(C#N)c(=O)c3ccccc32)cc1 58315302 PZKKURNMVKBPJD-UHFFFAOYSA-N 331.375 3.074 30 40 EGEB CCN(CC)CCNC(=O)c1ccc(/N=C/c2ccccc2O)cc1 2276045 JIIOQUBMHDSXOQ-PXLXIMEGSA-N 339.439 3.214 30 40 EGEB O=C1CCCC2=C1C(c1ccc3c(c1)OCO3)C1=C(CCCC1=O)N2 19596596 RYXXLFCKXHXTJY-UHFFFAOYSA-N 337.375 3.116 30 40 EGEB CCOC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O 5177373 BNWGBZCFYUGYCP-WIWNTQSISA-N 328.320 3.226 30 40 EGEB COc1ccccc1/C(N)=N/OCc1nc(-c2ccccc2)oc1C 65607995 YWPJOXHNJZLSMJ-UHFFFAOYSA-N 337.379 3.496 30 40 EGEB Cc1nn(-c2ccccc2)c(CN2CCO[C@H](c3ccco3)C2)c1C#N 91072000 FNBKAOJLMQTZQX-FQEVSTJZSA-N 348.406 3.219 30 40 EGEB C[C@@H](C(=O)NC1(C#N)CCCCC1)N1C[C@@H](C)[C@H]1c1ccccc1 81574382 FHQNOVRSUFWJDM-RYRKJORJSA-N 325.456 3.411 30 40 EGEB N#Cc1ccc(C(=O)NCCc2coc(-c3ccc(F)cc3)n2)cc1 69527841 KFMBNBVDQIFWGE-UHFFFAOYSA-N 335.338 3.325 30 40 EGEB Cc1nn(C)c(C)c1[C@@H](OC(=O)c1sccc1C#N)C(F)(F)F 89505665 VTVKIRDDEHPILF-GFCCVEGCSA-N 343.330 3.431 30 40 EGEB COCc1c(Cl)cccc1NC(=O)Nc1ccn(CCC#N)n1 195577426 YJRRKNDHRJOSHY-UHFFFAOYSA-N 333.779 3.241 30 40 EGEB COc1cccc(NC2CCN(c3nc4ccccn4c3C#N)CC2)c1 97238181 HOXCPOIIHFMVAD-UHFFFAOYSA-N 347.422 3.295 30 40 EGEB N#CCc1cc(F)c(Br)cc1I 169797942 DSDIYJQXIZBGAL-UHFFFAOYSA-N 339.933 3.259 30 40 EGEB N=C1O/C(=C/C(=O)c2ccc(Cl)cc2)C(=O)N1c1ccccc1 5519397 GZKDHGYKBZRHPO-MKODQCMXSA-N 326.739 3.405 30 40 EGEB N#Cc1cccnc1NC1CCN(Cc2ccc(F)c(F)c2)CC1 52473592 XHXRBYBDHRGITA-UHFFFAOYSA-N 328.366 3.308 30 40 EGEB C[C@@](C#N)(NC(=O)CSC1=Nc2ccccc2CS1)C1CC1 22022178 VHFGFDRJUVZHOF-INIZCTEOSA-N 331.466 3.463 30 40 EGEB COc1ccc(/C=C2/Oc3cc(O)ccc3C2=O)c(OC)c1OC 33318786 JGOPTESGPYJSBC-OVCLIPMQSA-N 328.320 3.034 30 40 EGEB Cc1cc(C)c(C#N)c(SCc2nc3ccsc3c(=O)[nH]2)n1 22107308 SCKSYVJMZQKANB-UHFFFAOYSA-N 328.422 3.160 30 40 EGEB COCCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(C(C)(C)C)cc1 4540487 UYCCXOVPLRVEOR-KRWDZBQOSA-N 345.439 3.305 30 40 EGEB COc1cc([C@H]2NN=C(c3ccccc3)S2)ccc1OCC#N 6127073 CNGSZZPHEAXBPW-KRWDZBQOSA-N 325.393 3.294 30 40 EGEB CC(=O)Nc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)ccc1F 60043345 LEKFOFKMDHDSBH-GFCCVEGCSA-N 337.310 3.415 30 40 EGEB COc1ccc(/C=N/N=C2\SCC(=O)N2Cc2ccccc2)cc1 13635750 ATJSODNVWMWSLM-IVUIJMHVSA-N 339.420 3.161 30 40 EGEB CSc1nc2n(n1)[C@@H](c1ccccc1C)C1=C(CCCC1=O)N2 4436109 HZHLDOLHJZZZKH-HNNXBMFYSA-N 326.425 3.330 30 40 EGEB N/C(Cc1ccc([N+](=O)[O-])cc1)=N\OC(=O)c1cccc2ccccc12 4679771 NENWVECFLRLQNR-UHFFFAOYSA-N 349.346 3.420 30 40 EGEB COc1ccccc1CN/N=C/c1cc(Cl)c(OC)c(OC)c1 20763010 BRRLMOFZCJQEPB-VXLYETTFSA-N 334.803 3.490 30 40 EGEB COc1cc(CCC(=O)N[C@](C)(C#N)CC(C)C)cc(OC)c1OC 69415014 CTXDUSDZTROLSN-IBGZPJMESA-N 348.443 3.090 30 40 EGEB CC(=O)c1ccccc1NC(=O)CNc1ccc(Cl)c(C#N)c1 8705940 CJUHYNOTOGRWSU-UHFFFAOYSA-N 327.771 3.465 30 40 EGEB COc1cccc2c1OCC(C(=O)[C@H](C#N)c1nc3ccccc3o1)=C2 75126775 AKDWJUVBTDCOFH-AWEZNQCLSA-N 346.342 3.489 30 40 EGEB COc1ncccc1C(=O)N1CCCC[C@@H]1[C@@H](C#N)c1ccccc1 76042148 AGYYEDGFBMHWCW-ZWKOTPCHSA-N 335.407 3.392 30 40 EGEB CCCCCCCCCNC(=O)C(=O)NCc1ccc(OC)cc1 408706831 FQDGIQBLWGJFDU-UHFFFAOYSA-N 334.460 3.178 30 40 EGEB Cc1cc(C)n(CC(=O)Nc2cccc3ccccc23)c(=O)c1C#N 409411496 HTGNUWDEOIWKPT-UHFFFAOYSA-N 331.375 3.129 30 40 EGEB N#Cc1cccc(C2(NC(=O)[C@H](O)c3ccccc3Cl)CC2)c1 195547586 OCFDAASMXLLRMN-MRXNPFEDSA-N 326.783 3.051 30 40 EGEB N#Cc1ccc(N2CCC(Nc3ccc(OC(F)F)cn3)CC2)nc1 94154667 YZZXYWMFLYIALN-UHFFFAOYSA-N 345.353 3.031 30 40 EGEB C=CC[C@H](CC)NC(=O)Nc1cccc(CS(=O)(=O)C(C)C)c1 390835089 CHSXOXLPFCUSPW-HNNXBMFYSA-N 338.473 3.486 30 40 EGEB COC(=O)[C@@H](N[C@@H](C)c1ccc(OC)c(F)c1)c1cccc(C#N)c1 83029649 FALJZFXQTYKQEZ-SGTLLEGYSA-N 342.370 3.271 30 40 EGEB COc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(O)cc2)S1 7276517 WXHGRJQLNMRIAB-GDNBJRDFSA-N 326.377 3.292 30 40 EGEB COc1ccc(/C(Cc2ccc([N+](=O)[O-])cc2)=N\OC(C)=O)cc1 4481620 ZCPURORFQUFCTQ-ZCXUNETKSA-N 328.324 3.113 30 40 EGEB CC(=O)C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccc(F)cc1 76897 QOENJAPDMFUHOJ-SFHVURJKSA-N 339.366 3.353 30 40 EGEB Cc1cc(C(=O)[C@H](C#N)C(=O)N2CCCC2)c(C)n1-c1ccccc1 103502704 QMPRJIVZGYQKHA-SFHVURJKSA-N 335.407 3.039 30 40 EGEB N#Cc1ccc(C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)cc1 23639473 CBAROGOWCZIRMW-UHFFFAOYSA-N 339.826 3.170 30 40 EGEB CCn1c(SCC(=O)Nc2ccccc2C#N)nnc1C(C)C 20034406 LCBFNLQBYVGTIL-UHFFFAOYSA-N 329.429 3.024 30 40 EGEB N#Cc1c(NCCc2nccn2Cc2ccccc2)nc2ccccn12 97082368 WKWVCRKRVBSWBW-UHFFFAOYSA-N 342.406 3.105 30 40 EGEB C[C@@H](Nc1snc(Cl)c1C#N)c1ccc(S(C)(=O)=O)cc1 44974992 TVJRCDRPJQBHFU-MRVPVSSYSA-N 341.845 3.245 30 40 EGEB C[C@H](OC(=O)c1ccc(C#N)cc1)C(=O)N1CCCc2ccccc21 10807885 ALOQHKDZIZPWAE-AWEZNQCLSA-N 334.375 3.083 30 40 EGEB N#Cc1ccc(F)c(COC(=O)c2ccc(N3CCCC3=O)cc2)c1 11368973 SFRQIIUCVMSRPE-UHFFFAOYSA-N 338.338 3.181 30 40 EGEB CCOc1cc(C#N)ccc1O[C@@H](C(=O)NC1CC1)c1ccccc1 12908881 SPJLRSDCMQYPLL-LJQANCHMSA-N 336.391 3.356 30 40 EGEB Cc1nn(CCOc2ccc(C(C)(C)C)cc2)c(=O)c(C#N)c1C 39983723 FWTADWWWRXCQIO-UHFFFAOYSA-N 325.412 3.108 30 40 EGEB CCOC(=O)c1sc(N)c(C#N)c1CN(C)Cc1ccccc1F 7910780 OKESEIGBRQQBJH-UHFFFAOYSA-N 347.415 3.150 30 40 EGEB Cc1ccccc1CN(Cc1ccccn1)C(=O)c1ccc(C#N)cn1 71900193 RINXIXOBEYUGSZ-UHFFFAOYSA-N 342.402 3.499 30 40 EGEB Cc1cccc2cc(C#N)c(NCCNC(=O)c3ccccc3F)nc12 35289181 PZAHARFPTSEADV-UHFFFAOYSA-N 348.381 3.396 30 40 EGEB COc1cccc2c1CCC/C2=N\NS(=O)(=O)c1ccc(C)cc1 222373025 YWFHLEYSRHSUPJ-HTXNQAPBSA-N 344.436 3.023 30 40 EGEB N#CCOc1cccc(CNC(=O)[C@@H]2SCCc3ccccc32)c1 80281048 ZKPNWBSRUVQFCK-GOSISDBHSA-N 338.432 3.236 30 40 EGEB CC(C)c1ncc(Cl)c(C(=O)N(CCC#N)CC(F)(F)F)n1 96444428 DZSCDYNKFRXUII-UHFFFAOYSA-N 334.729 3.172 30 40 EGEB COc1ccc(/C=C2\C(=O)ON=C2c2ccc(OC)c(OC)c2)cc1 32235 WTLSNCYVHGFYDY-GDNBJRDFSA-N 339.347 3.057 30 40 EGEB CCOC(=O)/C(=C/c1ccc(OC(=O)c2ccccc2)cc1)C(C)=O 3182010 SLTVINUBWFBHBB-QGOAFFKASA-N 338.359 3.441 30 40 EGEB N#Cc1ccccc1-c1ccc(Cn2nnc3ccccc3c2=O)cc1 22416209 CRYBFPVPFWJIOD-UHFFFAOYSA-N 338.370 3.378 30 40 EGEB C=CCc1c(C)nc2c(-c3ccccc3)cnn2c1NCCN(C)C 5243837 NCUBKIQDCARTNU-UHFFFAOYSA-N 335.455 3.407 30 40 EGEB Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)no1 100871161 ZXXLBWWVGFILAS-VIFPVBQESA-N 338.150 3.251 30 40 EGEB Cc1cccc(-n2cc(C(=O)c3cc(F)ccc3O)cc(C#N)c2=O)c1 3250971 MAASVQUXFZXGLT-UHFFFAOYSA-N 348.333 3.093 30 40 EGEB N#Cc1c(SCC(=O)C2CC2)nsc1SCC(=O)C1CC1 4871579 XBPIJVXNWKCBCM-UHFFFAOYSA-N 338.479 3.157 30 40 EGEB C=C1C(=O)[C@]23CC[C@@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OC)[C@H]2CC[C@@]1(O)C3 8655524 CAZYNLSCRWNLPJ-NUADERNVSA-N 346.467 3.422 30 40 EGEB C=CCNC(=O)[C@H](C)OC(=O)c1nc(-c2ccc(Cl)cc2)oc1C 25862681 PYQOGOAOCIKSJQ-NSHDSACASA-N 348.786 3.151 30 40 EGEB Cc1nn(C)c(C)c1[C@@H](C)C(=O)OCc1cn2ccccc2c1C#N 57603829 JRQCSOZIVHEBAT-GFCCVEGCSA-N 336.395 3.008 30 40 EGEB Cc1[nH]c2ccccc2c1[C@@]1(O)C(=O)N(CCCC#N)c2ccccc21 2212095 IGKTZNVYTSFDOC-OAQYLSRUSA-N 345.402 3.363 30 40 EGEB Cc1ccccc1CN1C(=O)[C@H](C)S/C1=N\N=C\c1ccco1 13146746 QTIPLPVJAAOVDO-UWWFKIDJSA-N 327.409 3.442 30 40 EGEB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(N2CCOCC2)cc1 6615226 JOCZMDXCCXATBS-XCVCLJGOSA-N 338.363 3.328 30 40 EGEB C[C@]1(c2ccc3ccccc3c2)NC(=O)N(C[C@H](C#N)CCC#N)C1=O 7201641 VLHQFJRKXPTZDF-VBKZILBWSA-N 346.390 3.050 30 40 EGEB C=CCCO[C@H](C)/C(O)=N/S(=O)(=O)c1ccc(Cl)cc1F 67801278 HNKIRSPSANUEJK-SECBINFHSA-N 335.784 3.106 30 40 EGEB Cc1ccccc1[C@@H](C#N)NC(=O)c1cccc(NC(=O)N(C)C)c1 96417030 FWSWSZBODHFGSP-QGZVFWFLSA-N 336.395 3.083 30 40 EGEB N#Cc1ccccc1C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 95418573 AABQAPDQIVFADS-UHFFFAOYSA-N 349.434 3.015 30 40 EGEB C[C@@H](NC(=O)N[C@H]1CCOC2(CCCC2)C1)c1cccc(C#N)c1 95426202 BKFLNKGQIIGRQT-PBHICJAKSA-N 327.428 3.410 30 40 EGEB Cc1cccc(NC(=O)CO/N=C(/N)c2nccc3ccccc23)c1C 72281943 WIOBHDFEYDZDFH-UHFFFAOYSA-N 348.406 3.127 30 40 EGEB C#CCN1C(=O)S/C(=C/c2cc(CC=C)c(O)c(OCC)c2)C1=O 409044270 VDNNIKVMMIIXBB-RVDMUPIBSA-N 343.404 3.189 30 40 EGEB Cc1ccc(NC(=O)Cn2c(C#N)cc(N)c2Cc2ccccc2)cc1 225860555 CJXUQDREFNMPQW-UHFFFAOYSA-N 344.418 3.480 30 40 EGEB O=C(NCCc1ccncc1)Nc1cccc(C#Cc2ccccn2)c1 96475946 IHSFAMHWTPFKHT-UHFFFAOYSA-N 342.402 3.241 30 40 EGEB COc1ccc2nc(NC(=O)COc3ccccc3C#N)sc2c1 15318430 XECITGWUVYEAFY-UHFFFAOYSA-N 339.376 3.194 30 40 EGEB COc1ccc([C@H]2C3=C(O)CCCC3=Nc3c(C#N)cnn32)cc1O 102841669 ROZKVZNRMQTWLS-KRWDZBQOSA-N 336.351 3.140 30 40 EGEB Cc1c(/C(O)=N/S(=O)(=O)c2cccc(Cl)c2)cnn1C(C)C 92693373 GYGFIYPLABJJMH-UHFFFAOYSA-N 341.820 3.119 30 40 EGEB Cc1cc(C(=O)Nc2ccc(OCC#N)cc2)c2cnn(C(C)C)c2n1 10966844 SNTXATDICZGTAB-UHFFFAOYSA-N 349.394 3.475 30 40 EGEB CCN(C(=O)CSc1nnc(C)c(C)c1C#N)c1ccccc1 97080552 MSOYUPMRKGZPIQ-UHFFFAOYSA-N 326.425 3.110 30 40 EGEB Cc1ccc(CNc2ccc([N+](=O)[O-])c(C#N)c2)c(N2CCCC2)n1 97145488 WIMFNFUROBODOW-UHFFFAOYSA-N 337.383 3.382 30 40 EGEB CC[C@H](C)Oc1ccccc1C=Nn1c(O)nc2ccccc2c1=O 409364004 VGLGISZWRCEVOA-ZDUSSCGKSA-N 337.379 3.162 30 40 EGEB CCOC(=O)c1csc([C@H](C#N)C(=O)c2cccc3cc[nH]c23)n1 76883986 UYIDSISRNWAENY-GFCCVEGCSA-N 339.376 3.291 30 40 EGEB C/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 100033431 QLKRMOOBIISESL-OQLLNIDSSA-N 345.271 3.247 30 40 EGEB COc1cc2c(cc1OC)C(O)=CC(=C1C(=O)CC(C)(C)CC1=O)N2 12406685 HJSRJLJSIVLGSG-UHFFFAOYSA-N 343.379 3.241 30 40 EGEB N#Cc1ccccc1NC(=O)CNc1ccc(Br)cc1 5090173 VEWGZMBAGREBKC-UHFFFAOYSA-N 330.185 3.371 30 40 EGEB N#Cc1ccc(NCC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 21355401 WAQBLVURLNPFER-OCCSQVGLSA-N 325.334 3.207 30 40 EGEB COc1ccc([C@@H](C#N)OC(C)=O)c(OCc2ccccc2)c1OC 36424 YZLFKAJTDDGTTA-QGZVFWFLSA-N 341.363 3.411 30 40 EGEB CC[C@@H]1c2ccsc2CCN1S(=O)(=O)c1ccccc1C#N 12688267 DVNXQLWBRRVIMN-CQSZACIVSA-N 332.450 3.318 30 40 EGEB Cc1nnc(N2CCC(c3c[nH]c4ncccc34)CC2)c(C#N)c1C 64915203 ZQMAVCYTVUUNFS-UHFFFAOYSA-N 332.411 3.225 30 40 EGEB Brc1ccc(/C=N/n2nnnc2Nc2ccccc2)cc1 4548789 TUBPSRAIRUSLII-MHWRWJLKSA-N 343.188 3.061 30 40 EGEB Cc1ccc2cc(C(=O)[C@H](C#N)c3nnc4n3CCCCC4)ccc2n1 97022168 CIVUCECDINPCFH-INIZCTEOSA-N 345.406 3.351 30 40 EGEB N#Cc1ccc(OCC(=O)N2CCc3ccccc3C2)c(Cl)c1 7856069 VJFLHMCUIACWDW-UHFFFAOYSA-N 326.783 3.175 30 40 EGEB CC[C@H](CO)Nc1nc(SC)nc(-c2ccc(C)cc2)c1C#N 19820699 OFNJJWGJBBSQGS-CYBMUJFWSA-N 328.441 3.228 30 40 EGEB C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC/C2=C/CO 118917856 SBMHTRUNPKWTLU-XCWGVBQFSA-N 330.468 3.408 30 40 EGEB CCCCOc1ccc(C(=O)ON=C2CCN(C(C)=O)CC2)cc1 408606499 IEAAGCULDPMAKM-UHFFFAOYSA-N 332.400 3.021 30 40 EGEB O=C1NC(=Nc2ccccc2F)S/C1=C\c1ccc([N+](=O)[O-])o1 408860814 FRXWDDTVZATRAD-XFFZJAGNSA-N 333.300 3.219 30 40 EGEB C=CCN(c1ccccc1C)S(=O)(=O)c1ccc(OC)c(OC)c1 224792122 KEWBFFACIZRIPF-UHFFFAOYSA-N 347.436 3.394 30 40 EGEB Cc1ccccc1C[C@H](C)NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 279397028 UVYSXLJYBJXVCW-JXFKEZNVSA-N 331.419 3.296 30 40 EGEB C[C@@H](NC(=O)Nc1cccc([C@@H]2CCC(=O)N2)c1)c1cccc(C#N)c1 591348736 PRZWAMHXWOCREB-ACJLOTCBSA-N 348.406 3.392 30 40 EGEB COc1ccc([C@H](C)Nc2ncnc3c2cnn3CCC#N)cc1F 97199670 OVIBSXGBCRQPDR-NSHDSACASA-N 340.362 3.061 30 40 EGEB C[C@@H](CO)NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 90165981 JSYKYPSUNQANAA-NSHDSACASA-N 330.771 3.115 30 40 EGEB COc1cc(/C(C)=N/OC(=O)c2cccs2)cc(OC)c1OC 16137269 SFLLTPPRDCOAEQ-LICLKQGHSA-N 335.381 3.355 30 40 EGEB N#Cc1cnn(-c2ccccc2)c1NC(=O)CSc1ccccc1 563000 ANHZOVJGJRFHHS-UHFFFAOYSA-N 334.404 3.475 30 40 EGEB Cc1nc(N2CC(N3C[C@@H]4CCC[C@H]4C3)C2)c(C#N)c(C)c1Cl 1889079638 GDAJOEXPMBDJPK-KBPBESRZSA-N 330.863 3.144 30 40 EGEB CN(C)N1C(=O)C[C@@H](c2ccc(F)cc2)C2=C1CC(C)(C)CC2=O 1422749 HTAQDNHNVLILJM-AWEZNQCLSA-N 330.403 3.261 30 40 EGEB COc1ccc(C(=O)/C=C/Nc2ccc3c(c2)OCO3)cc1OC 102816434 RFHCRAKOXLLWSR-BQYQJAHWSA-N 327.336 3.241 30 40 EGEB C[C@H](c1cccc(C(F)(F)F)c1)N(CC(=O)NCCC#N)C1CC1 54396509 MYXSLVFXNGCMQM-GFCCVEGCSA-N 339.361 3.261 30 40 EGEB Cc1ccc(C)c(NC(=O)COC(=O)c2ccc(C#N)cc2F)c1 8369938 XUXSTXQFESSCFI-UHFFFAOYSA-N 326.327 3.110 30 40 EGEB N#Cc1c(NC(=O)CN2CCc3ccccc3C2)sc2c1CCC2 34858984 VCPFFQGOBUTMPO-UHFFFAOYSA-N 337.448 3.105 30 40 EGEB CCOC(=O)c1cc(C#N)c(SCc2nc(C)c(C)o2)nc1C 58230091 JCOPMZAVPRRZSU-UHFFFAOYSA-N 331.397 3.336 30 40 EGEB COc1ccc2[nH]cc(C[C@H](C#N)C(=O)NCCc3ccccc3)c2c1 49547455 ISDZXIHXINBWTH-MRXNPFEDSA-N 347.418 3.218 30 40 EGEB biogenic O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1cccc(O)c1O 8084401 RCYVYKPLMTWMHA-CNHKJKLMSA-N 341.245 3.471 30 40 EGEB Cc1ccc([C@@H](C)/C(O)=N/S(=O)(=O)c2nc3ccccc3[nH]2)cc1 69388422 NHVYADKVLOXMJO-GFCCVEGCSA-N 343.408 3.320 30 40 EGEB C[C@@H](C#N)CN(C)C(=O)Nc1cccc(CNC(=O)OC(C)(C)C)c1 69776593 PZCPFCQOTPLOBE-ZDUSSCGKSA-N 346.431 3.335 30 40 EGEB Oc1nncc(N/N=C\c2ccccc2Br)c1Cl 31783713 OYSFBLLHMARREH-RZNTYIFUSA-N 327.569 3.044 30 40 EGEB Cc1nc(C)c(C#N)c(S[C@H]2CCN(c3ccccc3F)C2=O)n1 78995274 NESALHUEVALKLW-HNNXBMFYSA-N 342.399 3.002 30 40 EGEB CC(C)N(C(=O)c1cc(C#N)cn1C)c1ccc(Br)cn1 97227442 DOIPCSDFFYESKK-UHFFFAOYSA-N 347.216 3.109 30 40 EGEB CCOc1ccc(CN(C)C(=O)c2cc(C#N)cs2)cc1OC 95409428 CHWYTQNICKFXDK-UHFFFAOYSA-N 330.409 3.299 30 40 EGEB CCOC[C@]1(C#N)[C@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccccc1 252515943 OVXFXDWJOZMFPC-GUDVDZBRSA-N 341.432 3.173 30 40 EGEB C[C@](O)(C#C[C@](O)(c1ccccc1)C(F)(F)F)c1ccccc1F 4334545 YZRQUFKFGIXVJU-IRXDYDNUSA-N 338.300 3.487 30 40 EGEB N#C[C@@H](C1=NS(=O)(=O)c2ccccc21)c1nc2ccccc2s1 5738937 NGOSNGYZEAGSHJ-NSHDSACASA-N 339.401 3.095 30 40 EGEB C=CCO[C@@H]1C[C@H]2C(=O)Nc3ccc(-c4ccccc4)cc3C(=O)N2C1 8297220 HLNJZIZWSJNSCR-APWZRJJASA-N 348.402 3.091 30 40 EGEB biogenic,in-vitro C=CCN1c2ccccc2N[C@@H]2[C@H]1[C@@H](C(C)=O)C(=O)N2c1ccccc1 1424415 DDDSBDPXUPSYNO-AQNXPRMDSA-N 347.418 3.051 30 40 EGEB CC(C)[C@@](C)(C#N)NC(=O)CNc1cccc(NC(=O)C(C)(C)C)c1 43566405 UXMSEZKVBABAOT-LJQANCHMSA-N 344.459 3.138 30 40 EGEB COC(=O)c1ccc(/C=C/C(=O)c2cccc(N3CCCC3=O)c2)o1 58250982 VXGWAMVGHBQXRF-VQHVLOKHSA-N 339.347 3.089 30 40 EGEB C#CCOC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 58824688 GIVXWOOEZKCVDY-UHFFFAOYSA-N 334.378 3.301 30 40 EGEB CCN(C[C@@H](C)C#N)C(=O)Nc1ccc(OC)c(OC(F)F)c1 72309826 WSNOHLPBRYCHOY-JTQLQIEISA-N 327.331 3.310 30 40 EGEB Cc1ccc(-c2n[nH]c(NC(=O)CCc3ccccc3C#N)n2)cc1 14118235 NTQJBBYANZJKFC-UHFFFAOYSA-N 331.379 3.223 30 40 EGEB N#Cc1ccc(-c2nnc(CN3CC[C@H](Nc4ccccc4)C3)o2)cc1 72600061 KQDRRMQXPPVIDT-SFHVURJKSA-N 345.406 3.295 30 40 EGEB O=S(=O)(N/N=C/c1ccccc1Cl)c1ccc(Cl)cc1 5678766 MYGQBAKHZXHGNV-CXUHLZMHSA-N 329.208 3.306 30 40 EGEB CCc1c(C)sc(NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)c1C#N 68677548 AAGGINKCWSWPOO-ZDUSSCGKSA-N 345.468 3.078 30 40 EGEB N#Cc1cccc(COc2ccc(NC(=O)c3cnccn3)cc2F)c1 69508295 WPGDGBJJGHOREI-UHFFFAOYSA-N 348.337 3.319 30 40 EGEB Cc1cccc2c(N[C@@H]3CCC[C@H](S(C)(=O)=O)C3)c(C#N)cnc12 78301284 PGMPLVFZWFDNBS-CABCVRRESA-N 343.452 3.183 30 40 EGEB Cc1c([C@H](C)NC[C@H](O)c2ccco2)cnn1-c1ccc(C#N)cc1 195553452 JKEJZKBTKWTWTI-UGSOOPFHSA-N 336.395 3.030 30 40 EGEB Cc1ccc(NC(=O)c2ccc3c(c2)N(CC#N)C(=O)C(C)(C)O3)cc1 1342407 HMHMNUUTFPQEOK-UHFFFAOYSA-N 349.390 3.275 30 40 EGEB CC(C)CCNC[C@H](O)CON=C1c2ccccc2-c2ccccc21 2707476 DNKQFWCNDZMVHS-INIZCTEOSA-N 338.451 3.433 30 40 EGEB COC(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)c1C#N 804080 XGCFORFMXYNDCO-UHFFFAOYSA-N 342.298 3.497 30 40 EGEB Cc1sc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c(C#N)c1C 25351258 MUAPZNRZDQQKMD-UHFFFAOYSA-N 331.353 3.162 30 40 EGEB C[C@@H](Nc1ccc(C#N)cn1)[C@H](O)c1ccc(Br)cc1 58341580 FHNAFUNYKXPJBQ-BMIGLBTASA-N 332.201 3.250 30 40 EGEB Cc1nc(NC(=O)c2ccc(NC3CC3)nc2)sc1SCC#N 58317076 KPCJMPWLPVDULM-UHFFFAOYSA-N 345.453 3.289 30 40 EGEB N#Cc1csc(CN2CCCN(C(=O)c3cccs3)CC2)c1 93385931 XJMWMVHDHHKZMK-UHFFFAOYSA-N 331.466 3.029 30 40 EGEB O=C(/C=C/c1cccc(O)c1)c1ccc(N2CCOCC2)c(F)c1 7586455 LXQHVHHRXRTFSS-QPJJXVBHSA-N 327.355 3.264 30 40 EGEB C=CCn1cnnc1S[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 7634181 ABSLCAAGXPLPMO-SNVBAGLBSA-N 347.831 3.108 30 40 EGEB COC[C@H](C)n1c(C)cc(C(=O)COc2ccccc2C#N)c1C 8313393 XGHOORFABNEYQN-AWEZNQCLSA-N 326.396 3.446 30 40 EGEB N#CCN(CC#N)C(=O)CCN1CCC[C@@H]1c1cccc2ccccc12 69419648 AXQLWRJACBCNCN-HXUWFJFHSA-N 346.434 3.243 30 40 EGEB C[C@H](c1ccc(C#N)cc1)N1CCC(CCN2CCOCC2)CC1 71911133 NSJDMRICECAOKR-QGZVFWFLSA-N 327.472 3.054 30 40 EGEB N#Cc1cc(C(=O)N2CCC(Cc3ccc(F)c(F)c3)CC2)ccn1 332152042 HJFCOLHYBCYBRW-UHFFFAOYSA-N 341.361 3.326 30 40 EGEB C[C@@H](c1ccc(C#N)cc1)N1CCC(CCN2CCOCC2)CC1 71911132 NSJDMRICECAOKR-KRWDZBQOSA-N 327.472 3.054 30 40 EGEB N#C[C@@H]1CN(C(=O)NC[C@H]2CCCC2(F)F)C[C@H]1c1ccccc1 333162963 HRTHCVFIDWTYAW-OAGGEKHMSA-N 333.382 3.371 30 40 EGEB N#Cc1ccc(N2CCC[C@@H](COc3ncccc3Cl)C2)nc1 2298187889 BAVGGMWSPFRHHB-CQSZACIVSA-N 328.803 3.297 30 40 EGEB C=CCNC(=O)/C(=C/c1c[nH]c2ccccc12)NC(=O)c1ccccc1 13579506 GMPSLMUFGOXCIO-UYRXBGFRSA-N 345.402 3.241 30 40 EGEB COc1c(F)cc(NCC(=O)NC2(C#N)CCCCCC2)cc1F 55893415 PMUCLWNLLBCNEG-UHFFFAOYSA-N 337.370 3.118 30 40 EGEB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4CCC[C@@]4(C)CC[C@@H]32)[C@H]1O 118915210 LGMXWRFZIGLDKL-HAERXCPCSA-N 346.467 3.421 30 40 EGEB C[C@@H](c1ccc(F)cc1)N1CCN(c2oc(C3CC3)nc2C#N)CC1 29226718 OTIUQEYEUDJICP-ZDUSSCGKSA-N 340.402 3.446 30 40 EGEB C(=N/Nc1ncnc2[nH]cnc12)\c1ccc(OCc2ccccc2)cc1 4106448 QLWVOVQXSJKHIB-YSURURNPSA-N 344.378 3.378 30 40 EGEB C=CCn1c(C)cc(C(=O)Cn2cc(Br)ccc2=O)c1C 49890484 VWGCMDSNJKYPJK-UHFFFAOYSA-N 349.228 3.098 30 40 EGEB CCCCCCCC[C@H](O)[C@H](O)/C=C\[C@H](O)CCCCC(=O)O 67911359 KFPLVZLISLBBSJ-HEDBHGFYSA-N 330.465 3.021 30 40 EGEB biogenic,in-vitro CC(C)CC(=O)Nc1ccc(C(=O)Nc2ncc(C#N)s2)cc1F 585137101 IKHNNVZKWTURBG-UHFFFAOYSA-N 346.387 3.391 30 40 EGEB C=CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1 16138419 KYMBWKPPSZQYEM-QGZVFWFLSA-N 343.810 3.410 30 40 EGEB COC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(C)o1)C2=O 544151 JZWQLZSHQXSGGM-WIWNTQSISA-N 328.320 3.145 30 40 EGEB COc1cc(C(=O)C=C2Nc3ccccc3N2)cc(OC)c1OC 102193671 UBNDKJIULLKESF-UHFFFAOYSA-N 326.352 3.274 30 40 EGEB CCOc1ccc(/N=C2/NC(=O)/C(=C/c3cccnc3)S2)cc1 6870441 FKTPWQYNXNWVMA-GDNBJRDFSA-N 325.393 3.372 30 40 EGEB Cc1cc(NC(=O)Cn2ccc3ccc(Cl)cc32)n(CCC#N)n1 58222700 GOBJHSJCRCMDIZ-UHFFFAOYSA-N 341.802 3.352 30 40 EGEB CN(C[C@H]1CCCN(c2ccc(C#N)cn2)C1)C(=O)OC(C)(C)C 58356594 DJCZZBBKJRJHHY-OAHLLOKOSA-N 330.432 3.037 30 40 EGEB C=CCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1c1ccccc1 2463596 RCILNRDSPVBPFY-WFASDCNBSA-N 342.420 3.064 30 40 EGEB C=CCNc1nnc(S[C@H](CC)C(=O)NCc2ccccc2)s1 9112644 NFQADZYQKIARNQ-CYBMUJFWSA-N 348.497 3.323 30 40 EGEB O=[N+]([O-])c1ccc(S(=O)(=O)OC23CC4CC(CC(C4)C2)C3)cc1 408732060 ORVKEWPYRJSAAX-UHFFFAOYSA-N 337.397 3.269 30 40 EGEB COc1cc(/C=N/OCc2ccccc2C#N)c([N+](=O)[O-])cc1OC 408588366 BJYQUUKPTPEFFS-VXLYETTFSA-N 341.323 3.034 30 40 EGEB C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)[C@H](c2ccco2)C1 127085153 PEVYMOJVJYXUER-BBRMVZONSA-N 337.379 3.090 30 40 EGEB C=C[C@@H](C)CCOC(=O)c1snnc1-c1cnc(SC)nc1 223855496 CRRYVUFDDXRMEC-SECBINFHSA-N 336.442 3.086 30 40 EGEB C[C@@H]1SC(=Nc2ccccc2)N(S(=O)(=O)c2ccccc2)C1=O 254620789 XJVYTMOFCZTFCV-LBPRGKRZSA-N 346.433 3.027 30 40 EGEB C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C 13546161 AIPVEEYYOOGTAW-FFSTZCDWSA-N 332.484 3.486 30 40 EGEB biogenic N#CCc1ccc(NC(=O)c2cc(Br)ccc2O)cc1 28435282 YOJODACUFXTHFK-UHFFFAOYSA-N 331.169 3.473 30 40 EGEB CCCC[C@@H](CC)CN[C@H](CC(=O)Nc1ccccc1C#N)C(=O)O 5258648 RSEBVPJDKDUCLR-RHSMWYFYSA-N 345.443 3.146 30 40 EGEB Cc1ccc([C@H](CNc2cccc(F)c2C#N)N2CCOCC2)o1 40018063 FFPZRXHPLIGPDR-KRWDZBQOSA-N 329.375 3.084 30 40 EGEB Cc1ccc2cc(C(=O)[C@H](C#N)C(=O)NC3CCCC3)c(C)nc2c1 102017667 HQCVPEFBDOZEFQ-KRWDZBQOSA-N 335.407 3.233 30 40 EGEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1ccc(N(C)C)cc1 12561663 LOJOBVAXETWRHD-UHFFFAOYSA-N 348.406 3.246 30 40 EGEB Cc1cc(SCC(=O)NC2(C#N)CCCCC2)nc(C(C)C)n1 12615935 RHJTXBWBKAVLFD-UHFFFAOYSA-N 332.473 3.343 30 40 EGEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccccc1 19831929 OQGWBHHBKUUWOV-QGZVFWFLSA-N 331.371 3.428 30 40 EGEB C=CCN(CC(=O)Nc1cc(C)on1)Cc1ccc(Cl)s1 8163212 BFTVYKNRSLBOBP-UHFFFAOYSA-N 325.821 3.325 30 40 EGEB C[C@H](Oc1cccc(C#N)c1)C(=O)N1CCC[C@H](C(F)(F)F)C1 71825458 CGYIVJMPTQKYGQ-AAEUAGOBSA-N 326.318 3.126 30 40 EGEB CN(C)[C@H](CNc1ccc(C(F)(F)F)c(C#N)c1)c1cnn(C)c1 95944319 SIEHTTUPGRHLIA-OAHLLOKOSA-N 337.349 3.025 30 40 EGEB Cc1ccccc1N=C1NC(=O)/C(=C/c2ccc(O)cc2O)S1 408721557 SYJSDSSRQLNFOT-NVNXTCNLSA-N 326.377 3.298 30 40 EGEB CCN(CC)C(=O)C[N@+](C)(Cc1ccccc1)c1cc(C)nc(C)n1 247663509 UWHJRCBIBKHUSD-DEOSSOPVSA-N 341.479 3.099 30 40 EGEB Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCc1cccc(C#N)c1 390835432 NRYLPEXAWMOTMG-UHFFFAOYSA-N 338.367 3.448 30 40 EGEB Cc1sc2nc(C)n(/N=C/c3cccc([N+](=O)[O-])c3)c(=O)c2c1C 305053 XHKQJNBDAANCNU-CAOOACKPSA-N 342.380 3.174 30 40 EGEB COc1cccc(-c2nn(CCC#N)cc2C(=O)N2CCCCC2)c1 5000344 KYBYSPZQVWVKIU-UHFFFAOYSA-N 338.411 3.098 30 40 EGEB CC1=C(Cl)C(=O)C(Cl)=C/C1=N\S(=O)(=O)c1ccc(C)cc1 18158818 YLHQYWHJCPCQQZ-SFQUDFHCSA-N 344.219 3.343 30 40 EGEB O=C1CSC(=S)N1/N=C/c1cccc(OCc2ccccc2)c1 1714152 DQRVQERCMMPWIL-VCHYOVAHSA-N 342.445 3.460 30 40 EGEB COc1cc(/C=N\O)ccc1OCC(=O)Nc1ccccc1Cl 8113246 HUDIPWGSTAPLKA-NVMNQCDNSA-N 334.759 3.174 30 40 EGEB CC[C@](C)(C#N)C(=O)N1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 590914730 XRNLBTVSEYPHQT-GXTWGEPZSA-N 332.366 3.134 30 40 EGEB N#Cc1c(CN(CCO)[C@@H]2CCc3ccccc32)cn2ccccc12 74311831 FLJKHXYUBZDYMX-OAQYLSRUSA-N 331.419 3.293 30 40 EGEB N#C[C@H](C(=O)c1cccc2cn[nH]c12)c1ccc(C(F)(F)F)cn1 41552963 ONHIBVUCGAZGFQ-LBPRGKRZSA-N 330.269 3.467 30 40 EGEB N#Cc1ccc(-c2nc([C@@H]3CC(=O)N(c4ccc(F)cc4)C3)no2)cc1 44420160 AGSQJIBLFUWXKZ-CQSZACIVSA-N 348.337 3.268 30 40 EGEB CC(=O)[C@H]1CC(=O)[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C 118927686 QQFLSXLNHSKYDE-LNPPAIOBSA-N 342.435 3.082 30 40 EGEB N#Cc1c(Cl)nsc1N1CCC(c2nnc3ccccn23)CC1 44944574 WGYZKJJGABAXCP-UHFFFAOYSA-N 344.831 3.095 30 40 EGEB COc1ccccc1C(=O)NCCSCc1ccccc1C#N 12797241 NSOJIOPRIPWHTK-UHFFFAOYSA-N 326.421 3.230 30 40 EGEB CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1nnc(C2CC2)n1C1CC1 12931073 CVWUXSCFEZPZMG-DIFFPNOSSA-N 347.488 3.025 30 40 EGEB C=CCSc1ccccc1NC(=O)CNC(=O)c1cccs1 14015817 CHMRKUCEIKGGTK-UHFFFAOYSA-N 332.450 3.395 30 40 EGEB C[C@H](CCc1ccccc1)NC(=O)CCC(=O)Nc1ccc(C#N)cc1 4591801 SOFBYXOQYVYHRL-MRXNPFEDSA-N 349.434 3.414 30 40 EGEB COC(=O)c1ccc(/C=C/C(=O)c2cccc(N3CCCC3=O)c2)cc1 7350167 YMTRUUYQEJACDX-FMIVXFBMSA-N 349.386 3.496 30 40 EGEB CCN1C(=O)/C(=C\c2ccc(N(C)CCC#N)cc2)SC1=S 16404985 NBKPZDOLLNYLJU-SDNWHVSQSA-N 331.466 3.258 30 40 EGEB Cc1csc(C2(NC(=O)[C@H](C)Oc3ccc(C#N)cc3)CCC2)n1 75139728 SFHNLMAVXDHNJY-ZDUSSCGKSA-N 341.436 3.286 30 40 EGEB N#C[C@H](C(=O)NCc1cccnc1)c1nc(-c2ccccc2)cs1 89851274 FJFOYOOLDGALJO-OAHLLOKOSA-N 334.404 3.129 30 40 EGEB Cc1ccc(N=C[C@H]2C(=O)NC(=O)N(c3ccccc3C)C2=O)c(C)c1 408536909 TYWGXBDKDMKALQ-HNNXBMFYSA-N 349.390 3.213 30 40 EGEB C=CCN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 140286966 BFWOKBLVTPHUOP-UHFFFAOYSA-N 332.381 3.285 30 40 EGEB COc1ccc([C@@H]2CCc3cc4c(cc3/C2=N\O)OCO4)cc1OC 16999823 JQEHLDMXRJMVNO-UUPHZHHOSA-N 341.363 3.341 30 40 EGEB CSc1nnc(C(F)F)n1/N=C/c1ccc(OC(F)F)cc1 2789679 VANZZDFLTUORRM-UBKPWBPPSA-N 334.298 3.421 30 40 EGEB CC(C)=NNc1nc(-c2ccc(NC(=O)CCC(=O)O)cc2)cs1 6614219 ZRZJEEURJTYUSN-UHFFFAOYSA-N 346.412 3.421 30 40 EGEB N#CC1(C(=O)NCCCNc2ccc(C(F)(F)F)cn2)CCCC1 58245853 ACTIMEXECSWMLS-UHFFFAOYSA-N 340.349 3.103 30 40 EGEB COc1ccc(F)cc1CN1CC[C@H](CNc2ncccc2C#N)C1 65478009 UIDXCAZPNZSWLX-CQSZACIVSA-N 340.402 3.035 30 40 EGEB N#Cc1ccc(CNCC2CCN(C[C@@H](O)c3ccccc3)CC2)cc1 75602888 AYKHGCIEFOMICT-JOCHJYFZSA-N 349.478 3.093 30 40 EGEB COC(F)(F)C(F)(F)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 1535639606 UAEKOFBYPZUXML-UHFFFAOYSA-N 334.118 3.317 30 40 EGEB N#Cc1ccccc1OCC(=O)OCc1ccccc1OC(F)F 36806670 WCMVHPOAYALFIX-UHFFFAOYSA-N 333.290 3.282 30 40 EGEB C=CCN(c1cccc(C)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225016552 JVJBIVOZUBERDY-UHFFFAOYSA-N 332.381 3.285 30 40 EGEB N#C[C@@H]1CCCC[C@H]1Nc1ncc([N+](=O)[O-])cc1Br 585098798 CGGLWYNNHPSUGC-GZMMTYOYSA-N 325.166 3.247 30 40 EGEB CC(C)n1cc(C#N)c(NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)n1 252490066 KIFNJRVIFAAXEF-KXBFYZLASA-N 336.395 3.015 30 40 EGEB N#Cc1ccc(Cl)c(NC(=O)c2ccc(-n3cncn3)c(F)c2)c1 95413247 ODAWZNALRARQPV-UHFFFAOYSA-N 341.733 3.184 30 40 EGEB N#Cc1cc([N+](=O)[O-])ccc1N1CCC([C@@H](O)c2ccccc2)CC1 23074996 OFPZANNQJQLKBB-IBGZPJMESA-N 337.379 3.416 30 40 EGEB C=CCOC[C@@H]1CC[C@@H]2[C@H]1OCCN2C(=O)Nc1ccc(C)cc1 503815574 QKSMSGFCTCALOK-JQHSSLGASA-N 330.428 3.209 30 40 EGEB CCOC(=O)CSc1nc(-c2cccc(OC)c2)ccc1C#N 523286 ZFJZVYGJUNFDMK-UHFFFAOYSA-N 328.393 3.284 30 40 EGEB Cc1sc(NC(=O)COC(=O)c2ccccc2F)c(C#N)c1C 6500442 XJVCPOQFWHQYDW-UHFFFAOYSA-N 332.356 3.171 30 40 EGEB CS(=O)(=O)Nc1ccc(C(=O)/C=C/c2csc(C3CC3)n2)cc1 71892660 VJSDROWGRXUKEE-CMDGGOBGSA-N 348.449 3.288 30 40 EGEB CCOc1cccc(/C=N/N=C/c2cccc(OCC)c2O)c1O 3310221 DTJAKWVXWRKUAX-AYKLPDECSA-N 328.368 3.348 30 40 EGEB CC(C)(C)n1cc(/C=C/C(=O)c2cccc(N3CCOC3=O)c2)cn1 63556689 SMQAFOAHNNVEOJ-BQYQJAHWSA-N 339.395 3.491 30 40 EGEB COc1ccccc1[C@@H](C#N)NC(=O)c1ccc(-n2nccc2C)cc1 71186435 AQMZLMSAOLNOJH-GOSISDBHSA-N 346.390 3.184 30 40 EGEB C[C@H]1CCCC[C@H]1N1CNC(=Nc2nc3ccccc3s2)NC1 9015562 FDWGGRWUHUOODU-GXTWGEPZSA-N 329.473 3.272 30 40 EGEB CC(C)[C@@](C)(C#N)NC(=O)CN[C@@H](C)c1cccc(C(F)(F)F)c1 7989807 YKRJOZLIAPBQDL-BLLLJJGKSA-N 341.377 3.410 30 40 EGEB C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H](C)c2ccc(C)s2)c1 72311318 LVVZQPRLTHUUEF-CQSZACIVSA-N 340.448 3.238 30 40 EGEB CC/N=C(/NCCc1c(C)noc1C)N1CCC2(CCCCC2)C1 95964721 JTSGZNBTQOFTMA-UHFFFAOYSA-N 332.492 3.456 30 40 EGEB CCS(=O)(=O)c1ccc(/C=N\Nc2nc3ccccc3o2)cc1 31335085 YZHSECYIDNWEPD-BOPFTXTBSA-N 329.381 3.067 30 40 EGEB C=CCOCc1nn(CC2CC2)c2c1CN(Cc1ccco1)CC2 96259830 UZOCOHJXPNVWIA-UHFFFAOYSA-N 327.428 3.147 30 40 EGEB C=CC[C@H](C(=O)NCCc1nc2c(s1)COCC2)c1ccccc1 1616031834 CHMPGSKRKSVMLS-HNNXBMFYSA-N 342.464 3.234 30 40 EGEB N#CC1(c2ccccc2)CCN(C[C@H](O)c2ccc3c(c2)CCO3)CC1 13999857 VYTAQFZYTXPAFY-FQEVSTJZSA-N 348.446 3.212 30 40 EGEB CC(=O)C1=C(C)Oc2nc(C)[nH]c(=O)c2[C@H]1c1ccccc1Cl 15082928 NKTCMUNZKWUXGS-AWEZNQCLSA-N 330.771 3.119 30 40 EGEB C=C(C)COc1cc2oc(=O)c(CC(=O)OC)c(C)c2cc1Cl 489173 VUGRQLUFSPAQIS-UHFFFAOYSA-N 336.771 3.425 30 40 EGEB biogenic COc1ccccc1[C@H](C#N)NC(=O)[C@@H]1CCN(C2CCCCC2)C1 79016273 GSLGYJKBABWUFG-QAPCUYQASA-N 341.455 3.031 30 40 EGEB CC(C)CCO[C@H](C)/C(O)=N/S(=O)(=O)Cc1ccc(F)cc1 58282046 ICUHSIRSBKMELR-GFCCVEGCSA-N 331.409 3.063 30 40 EGEB Cc1ccc(-c2ccc(=O)n(CCOc3ccc(C#N)cc3)n2)s1 58307582 DJTZUQVFOFOJLT-UHFFFAOYSA-N 337.404 3.231 30 40 EGEB CC[C@@]12OC(=N)[C@](C#N)([C@H]1C)C(C#N)(C#N)[C@H](c1ccc(C)cc1)O2 101022012 PSEFZTALOJAXRE-OPGCRTJHSA-N 334.379 3.360 30 40 EGEB COc1cc2c(cc1OC)/C(=C/C(=O)c1ccccc1F)NCC2 5321788 SIOXAIFBIWDBNA-WJDWOHSUSA-N 327.355 3.212 30 40 EGEB Cc1cc(-c2nnc(S)n2/N=C/c2ccc(C(C)(C)C)cc2)[nH]n1 5625918 VKFVYQYHNUXXGZ-VCHYOVAHSA-N 340.456 3.445 30 40 EGEB N#C[C@H](C1=NS(=O)(=O)c2ccccc21)c1nc2ccccc2s1 6962458 NGOSNGYZEAGSHJ-LLVKDONJSA-N 339.401 3.095 30 40 EGEB CCOC(=O)c1csc([C@H](C#N)C(=O)/C=C/c2ccccc2)n1 67895686 PFVDWFYEAGGMIO-MMQHEFTJSA-N 326.377 3.209 30 40 EGEB Cc1nn(-c2ccccc2)cc1C(=O)N(CC#N)Cc1ccccc1 69348021 JNCRJMWQJHBDOE-UHFFFAOYSA-N 330.391 3.347 30 40 EGEB C[C@@H](Sc1ncn[nH]1)C(=O)Nc1sc2c(c1C#N)CCCCC2 8324290 ZRGJKAWKKHJUJN-SECBINFHSA-N 347.469 3.126 30 40 EGEB COC(=O)c1ccc(/C=C2\SC(=N)[C@H](c3nccs3)C2=O)cc1 136422860 COCITTBPDQACOD-AHLSMLBPSA-N 344.417 3.348 30 40 EGEB Cc1cc(C)nc([C@H](C#N)C(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)n1 96408010 WTJDQNMJDFJAAR-RWMBFGLXSA-N 327.334 3.352 30 40 EGEB Nn1cnnc1NN=Cc1ccc(-c2cc(Cl)ccc2Cl)o1 245227312 BIVHZQJSRABFBE-UHFFFAOYSA-N 337.170 3.005 30 40 EGEB Cc1ccc(C#N)cc1C(=O)NCCc1ccn(-c2ccccc2)n1 1125699498 RJJWTTGYPKJKSZ-UHFFFAOYSA-N 330.391 3.025 30 40 EGEB N#Cc1ccc(CN2CCC(COc3cc4c(nn3)CCC4)CC2)cc1 1775985864 DPDAUECTAYFJRO-UHFFFAOYSA-N 348.450 3.128 30 40 EGEB CC1(C)OB(c2ccc3c(c2)ncn3[C@@H]2CCCCO2)OC1(C)C 200819265 JBHDISPQXCBZAY-INIZCTEOSA-N 328.221 3.035 30 40 EGEB N#Cc1ccc(NC(=O)COC(=O)CCSc2ccccc2)cc1 3301659 GFCZZGAGTHUCEY-UHFFFAOYSA-N 340.404 3.222 30 40 EGEB CC(=O)N1CCc2c(sc(NC(=O)c3ccccc3C)c2C#N)C1 4275245 CVYWBAPMWDMTCL-UHFFFAOYSA-N 339.420 3.085 30 40 EGEB CCn1/c(=N/C(=O)c2ccc(C#N)cc2)sc2cccc(F)c21 100909264 ZNRMKWXRKMHQLN-JZJYNLBNSA-N 325.368 3.475 30 40 EGEB C=CCN(Cc1cccs1)C(=O)NC[C@@H]1COc2ccccc2O1 42295721 HAHXNFYSXXNYLI-CQSZACIVSA-N 344.436 3.286 30 40 EGEB Cc1nc(NC(=O)c2n[nH]c3ccccc23)sc1SCC#N 48356174 SDKZLQOOOHZPSI-UHFFFAOYSA-N 329.410 3.196 30 40 EGEB C[C@H](Sc1nc(N2CCCCC2)c2c(c1C#N)CCCC2)C(=O)O 13115998 KNARMBWNLOCQGT-LBPRGKRZSA-N 345.468 3.388 30 40 EGEB Cc1ccc(N2C(=O)NC(=O)[C@@H](C=Nc3ccc(C)c(C)c3)C2=O)cc1 408535423 OAWKZVPHEQCMLY-QGZVFWFLSA-N 349.390 3.213 30 40 EGEB CN(CC(C)(C)O)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 91247694 PQWRHAYDUIVDFJ-UHFFFAOYSA-N 337.423 3.138 30 40 EGEB Cc1ccccc1NC(=O)NCC#CCN1CCc2ccccc2C1 75165073 KUUHPORGLLIBBF-UHFFFAOYSA-N 333.435 3.178 30 40 EGEB C=CCOC[C@]12CCCO[C@@H]1CCN(Cc1ccc(OC)cc1)C2 96056889 WSIXJTYGUKJGEB-WOJBJXKFSA-N 331.456 3.269 30 40 EGEB N#C[C@H]1CCCC[C@H]1OC(=O)C1CCN(C(=O)c2ccccc2)CC1 96441998 COUKHNMYSLETNC-QZTJIDSGSA-N 340.423 3.164 30 40 EGEB CCOC(=O)Nc1ccc(NCc2cc(C#N)n(C)c2C)cc1C#N 95999398 MLVOQLZJAXNBGL-UHFFFAOYSA-N 337.383 3.257 30 40 EGEB CCCCCCCCCCN[C@@H]1C[C@@H](C(=O)O)C[C@@H]1n1ccnn1 1615002324 WMNXJYCIMIDVRE-ZACQAIPSSA-N 336.480 3.413 30 40 EGEB O/C(COCc1ccccc1Cl)=N\c1nc(-c2ccccn2)n[nH]1 53528178 WAINNFOJJWLNKS-UHFFFAOYSA-N 343.774 3.325 30 40 EGEB COCCOc1ccc(C(=O)/C=C/c2ccc(OC)c(O)c2)cc1 44027681 PLWWAJJWBQNREX-YCRREMRBSA-N 328.364 3.322 30 40 EGEB C=CCn1c(SCC(=O)NCCC2=CCCCC2)nnc1C1CC1 24827954 BPMRNFHWVHXLRU-UHFFFAOYSA-N 346.500 3.440 30 40 EGEB COc1cccc(/C=N/c2sc3c(c2C#N)CCN(C)C3)c1O 4150652 FFBNQUOWACJHQL-DJKKODMXSA-N 327.409 3.072 30 40 EGEB N#Cc1ccc(NC[C@H]2CCN(Cc3nc4ccccc4s3)C2)nc1 65496795 OKUHJMCXZMASLL-OAHLLOKOSA-N 349.463 3.497 30 40 EGEB CCc1nnc(Sc2nnc(C3CC3)n2C2CC2)c(C#N)c1CC 95411810 XJAJPQHLKRNHCB-UHFFFAOYSA-N 340.456 3.428 30 40 EGEB COc1cc(/N=C/c2cccc([N+](=O)[O-])c2O)cc(OC)c1OC 4699156 ZSPLHZQXYASRIZ-RQZCQDPDSA-N 332.312 3.077 30 40 EGEB C=CCN(Cc1csc(C)n1)[C@@H](C)c1cccc(-n2cnnn2)c1 95399077 QDQYCIAKYZZJIR-ZDUSSCGKSA-N 340.456 3.176 30 40 EGEB N#Cc1ccc([C@@H](C(N)=O)N2CC[C@@H]2c2ccc(Cl)cc2)cc1 95431464 HJVJIZUPAQKKKD-SJORKVTESA-N 325.799 3.185 30 40 EGEB CC(=O)Oc1cccc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c1 409038404 VFKNUBXQOZZTHA-CGOBSMCZSA-N 346.202 3.326 30 40 EGEB C=CCO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1cc2ccccc2s1 96041550 VKOLKDAGYDZQQX-HDMKZQKVSA-N 343.448 3.476 30 40 EGEB N#Cc1cccnc1OC1CCN(C(=O)CCCc2ccccc2)CC1 96102867 TXOCUGZVGATDMG-UHFFFAOYSA-N 349.434 3.346 30 40 EGEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OC1CCCCCCC1 60943460 IFTYMRTUFONVBW-UHFFFAOYSA-N 330.428 3.452 30 40 EGEB Cc1cc(C)cc(NC(=O)CO/N=C(/N)c2ccc(Cl)cc2)c1 15572843 HQSONTLNROMLBX-UHFFFAOYSA-N 331.803 3.232 30 40 EGEB N#Cc1ccc(C(F)(F)F)c(N2CCC(N3CCCC3=O)CC2)c1 97096867 HBBBHENESQKNQN-UHFFFAOYSA-N 337.345 3.168 30 40 EGEB N#C[C@H](C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)c1nc2ccccc2[nH]1 41494879 TWUZKOHBKAUWEP-CHWSQXEVSA-N 348.337 3.004 30 40 EGEB Cc1ccc(NC(=O)NC(=O)[C@H](C)Oc2cccc(C#N)c2)c(C)c1 23055086 FWSRMMSSMANHLW-AWEZNQCLSA-N 337.379 3.291 30 40 EGEB COc1cc(C#N)ccc1OCC(=O)N(C)Cc1ccc(C)cc1C 7836157 DWFIOIBAUGOIPE-UHFFFAOYSA-N 338.407 3.221 30 40 EGEB Cc1nc(-c2ncccn2)sc1C(=O)N(C)Cc1ccc(C#N)cc1 55202486 LXMHFWIKRTTXCC-UHFFFAOYSA-N 349.419 3.052 30 40 EGEB C=CCN(CC=C)C(=O)c1ccc(I)cc1 3231061 PAHRZFFTWWURDN-UHFFFAOYSA-N 327.165 3.105 30 40 EGEB N#Cc1ccccc1OCC(=O)N1CCC(Cc2ccccc2)CC1 3322160 VZIQVGRNQVPWCU-UHFFFAOYSA-N 334.419 3.418 30 40 EGEB S=C(N/N=C/c1ccc(Br)cc1)N1CCCCC1 6471915 DMLFSTOYYDTUGW-XNTDXEJSSA-N 326.263 3.143 30 40 EGEB COc1cc(N[C@H](C)C(=O)Nc2cccc(C#N)c2)cc(OC)c1 5689424 YMQWOLXRZRRIIP-GFCCVEGCSA-N 325.368 3.015 30 40 EGEB Cc1csc([C@@H](C#N)C(=O)CSc2ccc3c(c2)OCCO3)n1 7778585 MHRYHEKPTAUTMW-LBPRGKRZSA-N 346.433 3.191 30 40 EGEB CC#CC(=O)N1CCc2onc(-c3ccc(C(F)(F)F)cc3)c2C1 11840981 GRGFQJCJZJQGCN-UHFFFAOYSA-N 334.297 3.268 30 40 EGEB CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)[C@H](O)C[C@@H]4[C@@H]3CC[C@@]12C 257345799 JKBAFSADZLHGPF-IDRWLXGUSA-N 332.440 3.031 30 40 EGEB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1sc2c(c1C#N)CCC2 78273172 AKFFRONOAKEOGA-HWPZZCPQSA-N 340.404 3.275 30 40 EGEB COc1ccccc1/C=N\NC(=S)NC12CC3CC(CC(C3)C1)C2 5030436 PTICKMBHPWSRSF-NDENLUEZSA-N 343.496 3.462 30 40 EGEB C=CCN1C(=O)/C(=N\N=c2/[nH]c3ccccc3s2)c2ccccc21 5259531 MZXZLRLIGMJTQU-SILNSSARSA-N 334.404 3.067 30 40 EGEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@@H]2CC[C@@]2(C)CCC[C@H]32)[C@@H]1O 2049251861 LGMXWRFZIGLDKL-IEGRFRLISA-N 346.467 3.421 30 40 EGEB CC1(C)CC(=O)C2=C(C1)Nc1c(C#N)cnn1[C@H]2c1ccc(O)cc1 40284444 WOZOWKOMNZFWMU-KRWDZBQOSA-N 334.379 3.118 30 40 EGEB C#CCN1C(=O)[C@](O)(CC(=O)c2ccc(C(C)C)cc2)c2ccccc21 339895 XSJKIKMHTGGNOE-QFIPXVFZSA-N 347.414 3.250 30 40 EGEB CSc1ccc(CN(C)CC(=O)NC2(C#N)CCCCC2)cc1 32832209 VWBDHPOREAUALU-UHFFFAOYSA-N 331.485 3.183 30 40 EGEB N#Cc1ccc(OS(=O)(=O)c2ccc(F)cc2F)c(Cl)c1 21699556 IRZJXCOAQWLIAC-UHFFFAOYSA-N 329.711 3.258 30 40 EGEB Cc1cc(=O)[nH]c(N/N=C2/C[C@H](c3ccccc3)Oc3ccccc32)n1 34876970 IAQLIIYQCBKYHT-MPGAHLTBSA-N 346.390 3.418 30 40 EGEB C=CCN1C(=S)N(/N=C/c2ccccc2)C(=O)[C@H]1c1ccccc1 35681857 XCHFOPZBCBBGGF-HDAKKWKLSA-N 335.432 3.377 30 40 EGEB C=CCNC(=O)CCc1c(C)c2cc3c(C)coc3cc2oc1=O 2096178 AYILFXXOFAPMGE-UHFFFAOYSA-N 325.364 3.391 30 40 EGEB biogenic N/C(=N\OC(=O)Cc1ccccc1F)C12CC3CC(CC(C3)C1)C2 8986360 CUIBOYKRBKVWTE-UHFFFAOYSA-N 330.403 3.400 30 40 EGEB N#Cc1ccc(NC[C@H]2CCN(Cc3nc4ccccc4o3)C2)nc1 65478000 STQVUKFXGMWXLK-OAHLLOKOSA-N 333.395 3.028 30 40 EGEB COc1cccc(/C=C/c2nc(C#N)c(NC[C@@H]3CCCO3)o2)c1 8494538 KPGLUCOCXIIUER-KIUWMYQTSA-N 325.368 3.316 30 40 EGEB COc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(O)cc3)S2)cc1 18272329 HUVCKNGQOKJXCM-GDNBJRDFSA-N 326.377 3.292 30 40 EGEB C=CCOc1ccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1 409200489 LXEIGYJTPZOWJR-QGOAFFKASA-N 334.375 3.344 30 40 EGEB C#CCCC1(CCC(=O)NC[C@H](c2ccco2)N2CCCCC2)N=N1 1615000605 ZXNXJSCXGQFMFY-MRXNPFEDSA-N 342.443 3.279 30 40 EGEB CC(=O)Nc1c(C#N)c2nc3ccccc3nc2n1Cc1ccccc1 5378278 FCZVIOUOCPFNSG-UHFFFAOYSA-N 341.374 3.463 30 40 EGEB N#Cc1cc(Br)cnc1N1CCC(C(F)(F)F)CC1 297161007 OZCWYDFKRDSENH-UHFFFAOYSA-N 334.139 3.494 30 40 EGEB N#Cc1c(F)cccc1N1CCC[C@H](c2nnc3n2CCCCC3)C1 40490268 VEGOKAJTDHRFIE-AWEZNQCLSA-N 339.418 3.399 30 40 EGEB C#CCn1/c(=N/C(=O)c2cccs2)sc2cc([N+](=O)[O-])ccc21 100875436 PTMMLPKWPXMKCH-NXVVXOECSA-N 343.389 3.047 30 40 EGEB COCCOC1CCN([C@@H](C#N)c2c(F)cccc2Cl)CC1 78950128 IUBLGTVXHJMREE-HNNXBMFYSA-N 326.799 3.171 30 40 EGEB N#Cc1ccc(C(=O)Nc2cccc(Cl)c2N2CCOCC2)cc1 12543492 JNFGRFORMOGBJP-UHFFFAOYSA-N 341.798 3.301 30 40 EGEB Cn1/c(=N\N=C2/C(O)=Nc3ccc(F)cc32)sc2ccccc21 96688292 GIWRFYWNACZRKG-CAPFRKAQSA-N 326.356 3.286 30 40 EGEB COc1ccc2ccccc2c1/C=N\NS(=O)(=O)c1ccccc1 13617406 SMFOOCSIFWWQQE-UYRXBGFRSA-N 340.404 3.161 30 40 EGEB CCOC(=O)COc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1 4525934 DOOCVRJRERPHRS-UHFFFAOYSA-N 336.343 3.091 30 40 EGEB Cc1[nH]c2ccccc2c1/C=N/N1C(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1=O 408728349 KAWSRCZPXOZKBM-CGCVVEAISA-N 333.391 3.007 30 40 EGEB C=CCCC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 69452669 LTVWXSMPUMNSFK-CYBMUJFWSA-N 337.261 3.358 30 40 EGEB C=CCSCC(=O)N(CCc1ccc(C)cc1)C[C@H]1CCCO1 84148810 BGHULCNEXHIWSA-GOSISDBHSA-N 333.497 3.464 30 40 EGEB CCC(=O)N1CCC[C@H](C(=O)[C@H](C#N)c2nc3ccccc3s2)C1 69655721 XSBAIEZAXSHWMP-STQMWFEESA-N 341.436 3.121 30 40 EGEB N#Cc1cc(C(=O)Nc2ccc(Sc3nncs3)cc2)c[nH]1 95994919 XRZPPJQZLPGSHE-UHFFFAOYSA-N 327.394 3.141 30 40 EGEB N#Cc1cccc(CNC(=O)N(CCc2ccccc2)[C@H]2CCOC2)c1 89830592 QUJUGYGLFBUPHX-FQEVSTJZSA-N 349.434 3.101 30 40 EGEB C=CCc1cc(C(=O)Nc2ccc3c(c2)OCCO3)ccc1OC 408706027 SZVPTFXMHNYOLD-UHFFFAOYSA-N 325.364 3.447 30 40 EGEB Cc1cccc(S(=O)(=O)N2CC[C@H](Cc3ccccc3)C2)c1C#N 133517841 JUPNULROYHFFPP-QGZVFWFLSA-N 340.448 3.120 30 40 EGEB CN(CCOc1ccc(Cl)cc1)C(=O)NCC#Cc1ccccc1 40071274 KULVSRRHTKNDDJ-UHFFFAOYSA-N 342.826 3.412 30 40 EGEB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)Cc1cc(C#N)ccc1F 25435263 YFQOMUIYIIMIOY-AWEZNQCLSA-N 335.386 3.471 30 40 EGEB COc1ccccc1N(CCC#N)C(=O)CSc1ccccn1 5167964 AHNJIJQNILQBFN-UHFFFAOYSA-N 327.409 3.129 30 40 EGEB CCOC(=O)[C@@H](C#N)[C@@]1(Cc2ccccc2)C[C@@H](C)N(C)C[C@@H]1C 13509765 ISTLFIQBNBWVQL-IXIUHKBRSA-N 328.456 3.278 30 40 EGEB CC/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccc(OC)c(C)c1 17109881 MLHKTFSGUSTYAI-HTXNQAPBSA-N 346.452 3.405 30 40 EGEB Cc1ccc(Cl)c2c1NC(=O)[C@]2(O)CC(=O)/C=C/c1ccco1 4544877 DSKUMVGAJLCADI-RTRPANQVSA-N 331.755 3.054 30 40 EGEB Cc1cnc(C)c(OC2CCN(c3nc(C)cc(C)c3C#N)CC2)n1 2087126178 YVSCHBPMUOUQKV-UHFFFAOYSA-N 337.427 3.025 30 40 EGEB COc1ccc2c(c1)C[C@@H](C(=O)Nc1ccc(Cl)cc1)/C(=N/O)O2 101278571 FQKODFGIEPSNKT-UXPDKRSESA-N 346.770 3.326 30 40 EGEB N#Cc1ccc(C(=O)NCC2CCN(Cc3cccs3)CC2)cc1 23128068 DYLINOWEUSMJMI-UHFFFAOYSA-N 339.464 3.262 30 40 EGEB CCCNC(=O)c1c(/N=C/c2cccc(OCC(C)C)c2)cnn1C 2797754 MGEIYQNIJKYPNY-SRZZPIQSSA-N 342.443 3.345 30 40 EGEB C=CCOc1ccc([C@@H]2C3=C(CCCC3=O)Nc3[nH]nc(O)c32)cc1 12347290 NXWZTHHBIOTFNT-OAHLLOKOSA-N 337.379 3.245 30 40 EGEB CCCN(CC(=O)Nc1ccc(Cl)cn1)Cc1ccc(C#N)cc1 52825744 RVJAVKPHBLKSOG-UHFFFAOYSA-N 342.830 3.457 30 40 EGEB N#Cc1ccc(C(=O)NCCOc2ccc(C(F)(F)F)cc2)cc1 46480167 JQVDGEMRLLFANW-UHFFFAOYSA-N 334.297 3.386 30 40 EGEB COc1ccc(/C(C)=N\Nc2nc3ccccc3n2C)cc1[N+](=O)[O-] 408652374 HXVBRGAPDVXQGI-ODLFYWEKSA-N 339.355 3.326 30 40 EGEB CC(C)c1nc(CN2CCCN(c3ncccc3C#N)CC2)cs1 65504000 BGBILICBFWBIPY-UHFFFAOYSA-N 341.484 3.245 30 40 EGEB N#Cc1cccc(C(=O)Nc2ccccc2C(=O)NCC(F)(F)F)c1 7067788 KSACAGODWCKEOV-UHFFFAOYSA-N 347.296 3.103 30 40 EGEB CCN(C[C@@H](C)C#N)C(=O)c1csc(-c2ccc3c(c2)OCO3)n1 69529437 YEEZMEQLIOPKPS-NSHDSACASA-N 343.408 3.161 30 40 EGEB COc1c([C@H]2CCCN2Cc2cc(C#N)ccc2F)c(C)nn1C 72253716 QQCIJNSPWQPDSC-MRXNPFEDSA-N 328.391 3.085 30 40 EGEB C=CCN(C)c1ccc(N)c(CS(=O)(=O)c2ccc(C)cc2)c1 75278620 QDNGPFIHHSEUHW-UHFFFAOYSA-N 330.453 3.173 30 40 EGEB CC/N=C1/S/C(=C/c2ccc(OC)c(C)c2OC)C(=O)N1CC 408931889 RQXHGCQORBTNGN-HXGVTVJWSA-N 334.441 3.324 30 40 EGEB CCN(c1ccc(CC#N)cc1)S(=O)(=O)c1ccc(OC)c(F)c1 225108105 LVRVHSPCUPDJSH-UHFFFAOYSA-N 348.399 3.116 30 40 EGEB Cc1ccc(C)c(-n2nc(C#N)c(N3CCc4ccccc4C3)n2)c1 256046901 IUBYKTQVBPKMHW-UHFFFAOYSA-N 329.407 3.319 30 40 EGEB CC1(C)C[C@@H](NC(=O)CC2(C#N)CCOCC2)c2ccccc2O1 1616043535 AXSGPUFCUHJOEB-OAHLLOKOSA-N 328.412 3.115 30 40 EGEB COc1ccccc1/C=C/C(=O)[C@@H](C#N)C(=O)Nc1ccc(F)cc1 103501868 ZPSJTSBMRQCUBI-HKUPYCBJSA-N 338.338 3.195 30 40 EGEB COc1cccc([C@@H](C#N)NC(=O)Cc2cccc(Cl)c2)c1OC 78510867 YIIIHODEPZSNHF-OAHLLOKOSA-N 344.798 3.281 30 40 EGEB COc1ccccc1[C@@H](C#N)NC(=O)[C@@H]1CCN(C2CCCCC2)C1 79016270 GSLGYJKBABWUFG-CRAIPNDOSA-N 341.455 3.031 30 40 EGEB C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)NC(=O)[C@@H](C#N)C[C@H]12 8656032 PXJJMZRPGBMTIG-ZJEJLWEZSA-N 326.440 3.137 30 40 EGEB C[C@H]1CCCC[C@@H]1N1CNC(=Nc2nc3ccccc3s2)NC1 9011903 FDWGGRWUHUOODU-JSGCOSHPSA-N 329.473 3.272 30 40 EGEB N#Cc1ccsc1NC(=O)c1ccc(OC[C@H]2CCCO2)cc1 6509474 LIAZQEYCYPPDGK-OAHLLOKOSA-N 328.393 3.430 30 40 EGEB N#CCCN(Cc1cccnc1)C(=O)c1ccc(Cl)nc1Cl 96425227 ABYTVNXZEGACIC-UHFFFAOYSA-N 335.194 3.339 30 40 EGEB N#Cc1ccc(NCC(=O)Nc2ccc(-c3csnn3)cc2)cc1 69770902 LQLQNVAFNBLCDK-UHFFFAOYSA-N 335.392 3.127 30 40 EGEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]1c1ccccc1 9958358 WRPWYUDTFCIJLK-LJQANCHMSA-N 349.434 3.160 30 40 EGEB FC(F)(F)C(F)(F)C(F)(F)N/N=C/c1ccc2c(c1)OCCO2 409040239 SPTXNPHBIFJMRS-CGOBSMCZSA-N 346.202 3.172 30 40 EGEB O=[N+]([O-])c1cccnc1N/N=C/c1cccn1-c1ccccc1F 409104040 IGQBHNZYWSPCQS-YBFXNURJSA-N 325.303 3.366 30 40 EGEB CCn1cc(/C(O)=N/S(=O)(=O)c2cccc(C)c2)c(C(C)C)n1 77940404 IWVXMQOASLCMLQ-UHFFFAOYSA-N 335.429 3.028 30 40 EGEB CCN(C)C(=O)c1cccc(C(=O)[C@H](C#N)c2nc3ccccc3o2)c1 78445789 MQVNNADESSGCAG-HNNXBMFYSA-N 347.374 3.410 30 40 EGEB CS[C@H](C)/C(O)=N/S(=O)(=O)c1ccc(F)cc1C(F)(F)F 78612412 UDWCOMCGBTWJJJ-ZCFIWIBFSA-N 345.339 3.241 30 40 EGEB Cc1ccc(N2C[C@@H](c3noc(-c4ccc(C#N)cc4)n3)CC2=O)cc1 49060458 SFJVJBQMIRIRBM-INIZCTEOSA-N 344.374 3.437 30 40 EGEB C[C@H](CC#N)NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 194473328 HVHHSHYZUVJYEI-CYBMUJFWSA-N 339.351 3.206 30 40 EGEB CC1=C2C(=NC(=O)[C@@H](C#N)[C@@H]2c2cccc(Oc3ccccc3)c2)NN1 585145675 WSSMPNRMSPVDCQ-WMZOPIPTSA-N 344.374 3.023 30 40 EGEB Cc1ccccc1NC(=O)C[C@@H]1S/C(=N/C(C)C)N(C(C)C)C1=O 4553188 HHWYQWLXCLDFJL-MJWGMMHASA-N 347.484 3.440 30 40 EGEB C=CCN1C(=O)CCC12CCC(NC(=O)[C@]1(C)CC=CCC1)CC2 2055819336 DYDXDIRIYDJLKV-NQKNOSNGSA-N 330.472 3.339 30 40 EGEB C=CCn1c(S[C@H](C)C(C)=O)nnc1-c1cccc([N+](=O)[O-])c1 10481304 GIRQCZUSFXKTHU-LLVKDONJSA-N 332.385 3.109 30 40 EGEB CC(C)CCN(C1CC1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 40105653 PSVPSIIDMLZHAH-UHFFFAOYSA-N 326.849 3.411 30 40 EGEB N#CCCN(Cc1cccnc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 102638153 NEQZDLXBWQMYFI-UHFFFAOYSA-N 349.350 3.027 30 40 EGEB C/C(=C\C(=O)[C@@H](C#N)c1nnc2n1CCCCC2)c1ccccc1F 103276695 RBFGZUTULMLCFP-HFBDAHEESA-N 338.386 3.423 30 40 EGEB N#Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)cc1 318410 YXWIBXNCUJEUIJ-UHFFFAOYSA-N 348.328 3.291 30 40 EGEB N#Cc1cc([N+](=O)[O-])ccc1Sc1nnc(N2CCCC2)s1 53580575 IJJPTHUHTKTKHF-UHFFFAOYSA-N 333.398 3.069 30 40 EGEB COc1ccc(N2CCN(Cc3cc(C#N)ccc3F)CC2)cc1 57358865 ZLAKMOQKXSRUAC-UHFFFAOYSA-N 325.387 3.028 30 40 EGEB CC(C)NC(=O)Nc1ccc(CNC(=O)c2ccc(C#N)cc2)cc1 36391505 JWZJUSNKXRTZPU-UHFFFAOYSA-N 336.395 3.018 30 40 EGEB C=CCN1C(=O)c2ccccc2N[C@H]1c1cc2ccccc2[nH]c1=O 28511179 PMCLKAQUZYTALQ-GOSISDBHSA-N 331.375 3.281 30 40 EGEB Cc1cc(Cl)nc(NC=C2C(=O)CC(c3ccccc3)CC2=O)n1 2543444 MKQOHNFODQPXIV-UHFFFAOYSA-N 341.798 3.450 30 40 EGEB C=C(Cl)CN(C(=O)c1ccn(C)c(=O)c1)[C@H]1CCc2ccccc21 69664540 MZMALDUOVCDWPC-KRWDZBQOSA-N 342.826 3.268 30 40 EGEB Cc1nc(C(=O)N2CCC[C@@H](c3nc(C)c(C)s3)C2)ccc1C#N 72297370 VTEVLCXMPHKFTF-OAHLLOKOSA-N 340.452 3.355 30 40 EGEB N#CC1(NC(=O)Cc2ccc(OCc3ccccn3)cc2)CCCC1 95433659 RVJDDSQNUWEOKK-UHFFFAOYSA-N 335.407 3.156 30 40 EGEB N#Cc1ccsc1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 95434333 HCTLBQVVIXOHEO-OAHLLOKOSA-N 342.420 3.147 30 40 EGEB N#Cc1nc(-c2cccnc2)oc1N1CCN(c2ccccc2F)CC1 35672188 OAAVUBHKRAPDID-UHFFFAOYSA-N 349.369 3.074 30 40 EGEB COc1ccc(OCc2nc(SC(C)C)nc(N)c2C#N)cc1 223694132 ZXYNZYBKQKVZNP-UHFFFAOYSA-N 330.413 3.019 30 40 EGEB N#Cc1c(-c2ccc(N)cc2)nc(Nc2ccc(Cl)cc2)[nH]c1=O 96179321 IBLRHBNNKPAFJB-UHFFFAOYSA-N 337.770 3.288 30 40 EGEB CC1(C)OB(c2ccc([C@]3(C(F)(F)F)CCO3)cc2)OC1(C)C 2171245655 GJQJPNILPUOJLO-HNNXBMFYSA-N 328.139 3.164 30 40 EGEB N#Cc1ccc(OC[C@@H](O)CN2CCC[C@H]2c2cccs2)cc1 40475823 NSQNREJSIXMHHZ-RDJZCZTQSA-N 328.437 3.197 30 40 EGEB CCOC(=O)c1c(C)c2c(n1C)CC/C(=C\N1CCCCC1)C2=O 18059368 QJYFSIQHGXZCEL-WYMLVPIESA-N 330.428 3.009 30 40 EGEB Cc1ccc([C@@](O)(CCNc2ncccc2C#N)C(F)(F)F)o1 40489714 BURFBLNGTUKYPP-AWEZNQCLSA-N 325.290 3.107 30 40 EGEB CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Nc1ccc(Br)cc1 32512488 GUWPGMPPPYJKKL-ABAIWWIYSA-N 338.249 3.304 30 40 EGEB Cc1ccncc1/C(O)=N/S(=O)(=O)c1c(C)c(C)cc(C)c1C 95406417 XKSQHQOEYBBVOG-UHFFFAOYSA-N 332.425 3.317 30 40 EGEB C=CCNC(=O)c1ccccc1NC(=O)CCCOc1ccccc1 22614212 NBKNDAMVIIXCHB-UHFFFAOYSA-N 338.407 3.400 30 40 EGEB CC(=O)Nc1c(C)cccc1C(=O)OCc1cc(C#N)ccc1F 11947798 YBHHTSATBJQGFO-UHFFFAOYSA-N 326.327 3.321 30 40 EGEB O=C(CO/N=C/c1ccccc1Cl)/N=c1\[nH]c2ccccc2s1 5100323 IOPCITXARRUFPK-GIJQJNRQSA-N 345.811 3.361 30 40 EGEB C[C@@](O)(CC(=O)N[C@@H](C#N)c1cccc(Cl)c1)c1ccccc1 97059237 KAFCZLOYXOLNSE-FUHWJXTLSA-N 328.799 3.319 30 40 EGEB COC(=O)c1sc(N/N=C/c2c(F)cccc2Cl)nc1C 4422493 LBOXDSQGROHWHH-OMCISZLKSA-N 327.768 3.477 30 40 EGEB Cc1csc(-c2cccc(NCC(=O)NC3(C#N)CCCC3)c2)n1 69740189 NHKRXTKYEHSMED-UHFFFAOYSA-N 340.452 3.483 30 40 EGEB N#Cc1cccc(CNc2cccc(CN3CCC(CO)CC3)c2)c1 84363865 NLXQNBWUWVXYHA-UHFFFAOYSA-N 335.451 3.375 30 40 EGEB O=C1/C(=N\Nc2cccc(Br)c2)[C@H](O)c2ccccc21 408720388 MMNADTAMGLXPAH-VVTMIQRTSA-N 331.169 3.147 30 40 EGEB O=[N+]([O-])c1cccc(/N=C\c2ccc(N3CCOCC3)c(F)c2)c1 409122959 DAGLABCEEJIDSC-UNOMPAQXSA-N 329.331 3.321 30 40 EGEB COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc2c1OCO2 35324875 PNGRDCSCYSOHEZ-DUXPYHPUSA-N 326.304 3.049 30 40 EGEB COc1cc(/C=C2/Sc3ccccc3C2=O)ccc1OCC(=O)O 98063987 HZSKYUARSLCKST-CXUHLZMHSA-N 342.372 3.488 30 40 EGEB Cc1nn(C)c(Cl)c1[C@H]1CCCN1C(=O)c1sccc1C#N 75602420 XYHMBBASFSJOAS-LLVKDONJSA-N 334.832 3.292 30 40 EGEB O=C1Oc2ccc(Cl)cc2N/C1=C/C(=O)c1ccc([N+](=O)[O-])cc1 100820659 LAVSMKHFKHBYHW-MDWZMJQESA-N 344.710 3.346 30 40 EGEB O=C(/C=C/c1csnn1)c1ccc(S(=O)(=O)C2CCCC2)cc1 71921874 UHECNZAIMCLVNE-JXMROGBWSA-N 348.449 3.151 30 40 EGEB C=CCn1c(S)nc2cc(C(=O)N(CC)CCCC)ccc2c1=O 28664349 SEDSOQDYEHZDNZ-UHFFFAOYSA-N 345.468 3.133 30 40 EGEB C=CCn1cnnc1SCC(=O)Nc1nc2ccc(C)cc2s1 11263957 DRJDQYRTXIWTPP-UHFFFAOYSA-N 345.453 3.113 30 40 EGEB COc1ccc(CN(C)CC(=O)Nc2c(C#N)oc3ccccc23)cc1 48301489 CMPVCBDEDVFLDB-UHFFFAOYSA-N 349.390 3.384 30 40 EGEB COc1ccc(O)c(/C=N/Nc2ncnc3sc(C)c(C)c23)c1 6507754 SMHGGCDBPJEPRY-FBCYGCLPSA-N 328.397 3.468 30 40 EGEB COc1cc(/C=C/C(=O)NCc2ccccc2F)ccc1OCC#N 6946858 YDGHZWWCXCNOFU-VQHVLOKHSA-N 340.354 3.066 30 40 EGEB CCC[C@@H](C)c1cc(NS(=O)(=O)Cc2ccc(C#N)cc2)[nH]n1 95448011 UCSPMTTVEHTSBW-GFCCVEGCSA-N 332.429 3.127 30 40 EGEB COc1cccc(/C=N\c2ccc(N(C)C)cc2)c1O[C@H](C)C(=O)O 409232244 PLHNKWHYGNIURL-UAAGNOOKSA-N 342.395 3.364 30 40 EGEB N#Cc1ccc(-c2nnc(CN3CC[C@@H](Nc4ccccc4)C3)o2)cc1 72600059 KQDRRMQXPPVIDT-GOSISDBHSA-N 345.406 3.295 30 40 EGEB N#C[C@@H]1CCCC[C@@H]1OC(=O)C1CCN(C(=O)c2ccccc2)CC1 96442001 COUKHNMYSLETNC-ROUUACIJSA-N 340.423 3.164 30 40 EGEB CC(=O)N1CCC[C@@H](C/N=C(/O)N2CCC(CCC(C)C)CC2)C1 331057146 LRPGXVHENUFWBG-SFHVURJKSA-N 337.508 3.307 30 40 EGEB C=CCN1C(=O)CCC[C@@]12CCCN(C(=O)Cc1ccc(C)cc1)C2 96077082 JGSNQJMSPGMTOF-NRFANRHFSA-N 340.467 3.097 30 40 EGEB Cc1ccc2nc(NCCNC(=O)c3ccccc3)c(C#N)cc2c1 12481008 ACGPONQSRUGYMT-UHFFFAOYSA-N 330.391 3.257 30 40 EGEB COc1ccc(/C=N\N=C\c2ccc(OC)c(OC)c2)cc1OC 4974723 DCROUMFSOORFPU-UHWBUFEVSA-N 328.368 3.174 30 40 EGEB Cc1ccc(NC(=O)[C@H]2CC(=O)OC3=C2C(=O)CC(C)(C)C3)cc1 8559654 JLJRQBVJYAFXJA-ZDUSSCGKSA-N 327.380 3.140 30 40 EGEB N#CCN(C(=O)CSc1nc(-c2ccccc2)n[nH]1)c1ccccc1 3354225 ZHQIJTWIYLFTMO-UHFFFAOYSA-N 349.419 3.121 30 40 EGEB COc1ccccc1COC1CCN(Cc2ccc(C#N)o2)CC1 95999485 XBIBOSHQNJBLIE-UHFFFAOYSA-N 326.396 3.341 30 40 EGEB Cc1cccc2c1N(C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)CCC2 48354865 ZCWOTCRRDIYHLE-UHFFFAOYSA-N 349.434 3.084 30 40 EGEB CC1=CC(=O)[C@H](C(=O)/C=C/c2cccc(Cl)c2Cl)C(=O)O1 3543695 HBMSTBYEEFSHPA-GFUIURDCSA-N 325.147 3.222 30 40 EGEB CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1nc(-c2cccs2)n[nH]1 9155156 PTGLAVMBRKPGTG-BMIGLBTASA-N 349.485 3.068 30 40 EGEB N#Cc1cc(F)ccc1CN1CCC(NC(=O)CC2CCCC2)CC1 66875284 VQHPKBJGIHPIPW-UHFFFAOYSA-N 343.446 3.358 30 40 EGEB N#Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c1 5896582 RJXNSHMDZRLUGB-UHFFFAOYSA-N 336.351 3.319 30 40 EGEB Cc1csc(C2(NC(=O)COc3ccccc3C#N)CCCC2)n1 69618242 KHFLISAUPBQGFO-UHFFFAOYSA-N 341.436 3.288 30 40 EGEB Cc1ccc(NC(=O)Nc2cccc3c2CCN(C(=O)CC#N)C3)cc1 195567425 NYYAYRIYPUNMEU-UHFFFAOYSA-N 348.406 3.437 30 40 EGEB Cc1c(/N=C2/C=CC(=O)c3ccccc32)c(=O)n(-c2ccccc2)n1C 96486173 BPCUUELBULRONU-PYCFMQQDSA-N 343.386 3.358 30 40 EGEB CC(C)(C)OC(=O)N1C[C@H](B2OC(C)(C)C(C)(C)O2)C(F)(F)C1 953089870 OOPXFQKRTAKCLW-JTQLQIEISA-N 333.184 3.335 30 40 EGEB C=CCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccccc1C 13995761 GCGITYGPFDBDJQ-OAHLLOKOSA-N 338.407 3.317 30 40 EGEB NC(=O)[C@H](NN=C(c1ccccc1)c1ccccc1)c1ccccc1 1723206 UYYDFBVZCVBSLP-HXUWFJFHSA-N 329.403 3.255 30 40 EGEB N#Cc1ncn(Cc2nc3cc(Cl)ccc3n2Cc2ccccc2)n1 12782416 KPHRKLZWMKBDPF-UHFFFAOYSA-N 348.797 3.249 30 40 EGEB CC(C)c1nc(C#N)c(NC[C@H](c2ccccc2)N2CCOCC2)o1 27748676 YTAKQHNXOFJVAL-QGZVFWFLSA-N 340.427 3.155 30 40 EGEB Cc1cc(C(=O)Cn2cnc(C#N)n2)c(C)n1[C@@H](C)c1ccccc1 14143852 WPNJJMRDXFXFTM-AWEZNQCLSA-N 333.395 3.060 30 40 EGEB C=CCNc1nnc(S[C@@H](C)C(=O)Nc2ccc(F)cc2)s1 5784322 RFVCBXJSSPEUCL-VIFPVBQESA-N 338.433 3.394 30 40 EGEB N#C[C@@H](C(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1ccc2ccccc2n1 89873128 RGTXGXKAEROICO-DLBZAZTESA-N 347.418 3.060 30 40 EGEB C=CCN1C(=O)CC[C@]12CCCN(Cc1scnc1C)[C@H]2CC 96038515 DBHCEGKKRZEEGF-WMZOPIPTSA-N 333.501 3.373 30 40 EGEB N#Cc1c(Cl)nc(NCCCN2CCOCC2)c(Cl)c1Cl 29469987 QQXYLJGPSMITDJ-UHFFFAOYSA-N 349.649 3.048 30 40 EGEB C=CCN1C(=O)/C(=C\c2ccc(N(C)CCC#N)cc2)SC1=S 19074830 ZSAQOTSWQWBZCA-NTCAYCPXSA-N 343.477 3.424 30 40 EGEB Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(O)c([N+](=O)[O-])c1 219622 URALRISRLLVVIH-XDHOZWIPSA-N 341.367 3.196 30 40 EGEB N#Cc1ccc(S(=O)(=O)NCc2cc(-c3ccco3)cs2)cc1 1775968832 MUGOXVVZNGYTRS-UHFFFAOYSA-N 344.417 3.358 30 40 EGEB COc1cccc(N2C(N)=C(c3ccc(Cl)cc3)C(=O)[C@@H]2C)c1 102135477 JFLASOFFBOSDKP-NSHDSACASA-N 328.799 3.454 30 40 EGEB N#C[C@@H](C(=O)c1ccn(-c2ccccc2Cl)n1)C(=O)c1ccco1 103732446 MNYUQQZOAUQBLL-NSHDSACASA-N 339.738 3.324 30 40 EGEB Cc1ccc2c(CC(=O)NCCNc3ncccc3C#N)coc2c1C 47253039 ORPKUQIENZIVRH-UHFFFAOYSA-N 348.406 3.087 30 40 EGEB C=CCn1c(SCC(=O)N(C)C2CCCCC2)nnc1C1CC1 3289319 SJAZIPLSUVKMFJ-UHFFFAOYSA-N 334.489 3.225 30 40 EGEB COc1cc(C#N)ccc1OCC(=O)N(Cc1ccc(C)o1)C(C)C 58210874 FWSCHQVVUFOSPO-UHFFFAOYSA-N 342.395 3.284 30 40 EGEB COc1cccc([C@@H](C2=C(O)CCCC2=O)C2C(=O)CCCC2=O)c1 101674150 OAFBWIZJAMBOMQ-GOSISDBHSA-N 342.391 3.282 30 40 EGEB N#CCSCC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 36760125 XIMHKMYRDCYEEN-UHFFFAOYSA-N 325.365 3.284 30 40 EGEB COc1cc(F)c(C(=O)NC2(c3cccc(C#N)c3)CC2)cc1OC 95431791 UPYQMJGJXOAZSP-UHFFFAOYSA-N 340.354 3.134 30 40 EGEB CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccccc1C#N 7246741 SDYAVZVUAUBTSZ-UHFFFAOYSA-N 338.791 3.171 30 40 EGEB N#Cc1ccc(Cn2nnc(-c3ccc(Br)cc3)n2)cc1 8130542 PVUBICVVFUTIOY-UHFFFAOYSA-N 340.184 3.023 30 40 EGEB COc1ccccc1/N=C/c1cccc(OC)c1O[C@@H](C)C(=O)O 409237165 JTEWHNNMRGWGTH-MKFNJMOCSA-N 329.352 3.306 30 40 EGEB CCOc1ccccc1[C@H]1[C@@H](C#N)C(=O)Nc2nc3ccccc3n21 20637870 DAQGIFKBTRWXRD-DYVFJYSZSA-N 332.363 3.116 30 40 EGEB CCN1CCC[C@]2(CN(Cc3ccc(C#N)cc3)CC(F)(F)C2)C1=O 306123797 AXALTMIVDWRXQX-SFHVURJKSA-N 347.409 3.028 30 40 EGEB CC(C)(C)n1cc(C#N)cc1NC(=O)COc1ccc(CC#N)cc1 78665231 JODDUGNABBAOTG-UHFFFAOYSA-N 336.395 3.198 30 40 EGEB O=Cc1ccccc1C#CCCCCN1C(=O)c2ccccc2C1=O 73633289 ATKAXYLPJPLWGA-UHFFFAOYSA-N 331.371 3.317 30 40 EGEB C=CCN1C[C@@H]2CN(Cc3ccsc3)CCC[C@]2(C(=O)OCC)C1 96055971 DQSQROKNIQYHAM-HKUYNNGSSA-N 348.512 3.011 30 40 EGEB CC[C@H](C#N)Oc1cccc(CNC(=O)N2C[C@H]3CC=CC[C@@H]3C2)c1 96440296 APVUDXQJCQCWAD-KZNAEPCWSA-N 339.439 3.475 30 40 EGEB N#CC1(C(=O)NCCn2c3ccccc3c3ccccc32)CCOCC1 390834173 TYLCCIXWYRBLMF-UHFFFAOYSA-N 347.418 3.231 30 40 EGEB COc1ccc(/C=C2/S/C(=N/c3cccc(O)c3)NC2=O)cc1 12032386 RIXKQLWIBSCLNR-OQLLNIDSSA-N 326.377 3.292 30 40 EGEB CCCCN1C(=O)/C(=N\Nc2ccc(C(=O)O)cc2)c2ccccc21 13350957 COUDNEVNRFUFOS-FXBPSFAMSA-N 337.379 3.348 30 40 EGEB COC(=O)c1ccc(/C=N/OCc2cc(C(C)=O)ccc2OC)cc1 20858494 UGWLAEQRXNPPSZ-RGVLZGJSSA-N 341.363 3.235 30 40 EGEB C=CCn1c(CCNC(=O)c2ccccc2OC)nc2ccccc21 2721463 GTGAXFLWLAVXHY-UHFFFAOYSA-N 335.407 3.203 30 40 EGEB C#CCN(CC(F)(F)F)C(=O)c1sc(C)cc1OC(F)F 79309444 QCRJGKXWDBJFAN-UHFFFAOYSA-N 327.274 3.296 30 40 EGEB N#Cc1c(COC(=O)c2cnc3ccccc3n2)cn2ccccc12 58054313 ASKWNXBPOWPRLJ-UHFFFAOYSA-N 328.331 3.111 30 40 EGEB CCOc1cc(/C=N/NCc2ccc(OC)c(OC)c2)ccc1OC 20195814 VTBCYZVGJDLDSZ-FYJGNVAPSA-N 344.411 3.235 30 40 EGEB CCc1nc2ccccc2n1C1CCN(c2nccnc2C#N)CC1 92961386 MNYUOFGHDOTVMX-UHFFFAOYSA-N 332.411 3.102 30 40 EGEB C=CCN(CC(=O)OCC)C(=O)c1ccc(Oc2cccnc2)cc1 95381771 PQMQAVUECDFBHT-UHFFFAOYSA-N 340.379 3.065 30 40 EGEB C[C@@H](NC1CCN(c2ccc(C#N)cn2)CC1)c1ccc(C#N)cc1 95987874 GACALYDLOBNIHN-OAHLLOKOSA-N 331.423 3.145 30 40 EGEB C[C@@H]1CCCN(c2cc(C(=O)N3CCc4ccc(C#N)cc43)ccn2)C1 291955265 QTPUYZHOAQIFOH-OAHLLOKOSA-N 346.434 3.392 30 40 EGEB Cc1cccc2sc(N3CCN(c4ccc(C#N)cn4)CC3)nc12 891953277 ZDONVKDYQCEMPS-UHFFFAOYSA-N 335.436 3.198 30 40 EGEB CCOc1cccc([C@H]2C3=C(C[C@H](C)CC3=O)Nc3nc(C)nn32)c1 14164959 LMBGNCVWFOKTEB-VOJFVSQTSA-N 338.411 3.253 30 40 EGEB Cc1cnn(C2C[C@@H]3CC[C@H](C2)N3c2ncc(C#N)cc2Cl)c1 1889078522 OWLZKOMMAPJQBA-YIONKMFJSA-N 327.819 3.484 30 40 EGEB C#CCn1/c(=N/C(=O)c2ccc(N(C)C)cc2)sc2cccc(C)c21 100910390 DFERLTYJKUYJGN-MRCUWXFGSA-N 349.459 3.452 30 40 EGEB Cc1nc2c([nH]c3ccccc32)c(=O)n1/N=C/c1ccc(N(C)C)cc1 499767 MECDFQKKBARPGE-CIAFOILYSA-N 345.406 3.134 30 40 EGEB CC/N=C(\NCc1ccco1)NC[C@@H]1CCO[C@H]1c1ccccc1 104202025 VULPIPWCHYAHGN-WMZOPIPTSA-N 327.428 3.113 30 40 EGEB N#Cc1ccc(CSc2nnnn2CCc2cccs2)cc1 10880524 WBIDPQVTOPEKJH-UHFFFAOYSA-N 327.438 3.141 30 40 EGEB CCOc1ccc(C#N)cc1N[C@@H](C(=O)NC1CC1)c1ccccc1 58166435 HUFPNTGXELRXHU-LJQANCHMSA-N 335.407 3.389 30 40 EGEB C=CCOc1ccc(/C=C2\NC(=S)N(CCCC)C2=O)cc1OC 2146136 QWNWCRXQNLAASF-KAMYIIQDSA-N 346.452 3.118 30 40 EGEB N#CCc1cccc(C(=O)N2CCC[C@H]2C(=O)OCc2ccccc2)c1 68141493 QIMARDPLEKRBJU-IBGZPJMESA-N 348.402 3.101 30 40 EGEB Cc1ccc(C#N)cc1NC(=O)NC[C@@H](c1cccs1)N(C)C 69567406 DJYUAYNBQUYDBB-HNNXBMFYSA-N 328.441 3.353 30 40 EGEB C=CC[C@@H](NC(=O)c1nn(-c2ccccc2)cc1OC)c1ccncc1 72285356 JZJCVWXQWQTAIQ-QGZVFWFLSA-N 348.406 3.323 30 40 EGEB COc1cc(/C=C2/CCc3c(cnn3C)C2=O)cc(Cl)c1OC 97112623 IVFGNKZLERGIOJ-WDZFZDKYSA-N 332.787 3.303 30 40 EGEB Cc1nc(NS(=O)(=O)Cc2ccccc2)sc1SCC#N 89562685 UXOGBAPMJZIOIM-UHFFFAOYSA-N 339.467 3.009 30 40 EGEB N#CC1(C#N)[C@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccccc1 218341313 PQLQJQAZOTUGKG-HZPDHXFCSA-N 342.807 3.313 30 40 EGEB Brc1ccc(/C=N\n2nnnc2Nc2ccccc2)cc1 32116617 TUBPSRAIRUSLII-YBEGLDIGSA-N 343.188 3.061 30 40 EGEB O/C(=N/C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccoc1C1CC1 330031620 BFWXKSMVIBMEAF-SJORKVTESA-N 332.444 3.230 30 40 EGEB CN(C(=O)c1cnccc1C#N)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C 580387477 NPILMZPVPBTHJX-ZWKOTPCHSA-N 335.407 3.271 30 40 EGEB N#CC1(NC(=O)c2csc(=Nc3cc(F)cc(F)c3)[nH]2)CCCC1 590664921 DBVBHSKOKQVZJA-UHFFFAOYSA-N 348.378 3.153 30 40 EGEB N#C[C@H](C(=O)Cc1ccc2c(c1)OCO2)c1ccc2ccccc2n1 52741997 VYBCGIVIKCPLMU-HNNXBMFYSA-N 330.343 3.382 30 40 EGEB C[C@@H]1C[C@H]1c1ccc(CN(C)S(=O)(=O)c2cccc(C#N)c2)o1 22246392 BMIJJLTZVHOGOO-MLGOLLRUSA-N 330.409 3.095 30 40 EGEB Cc1ccc(S(=O)(=O)OC[C@@]23CC[C@@](C)(C(=O)C2)C3(C)C)cc1 4228035 FLGTYOMTXDOJJS-ZWKOTPCHSA-N 336.453 3.486 30 40 EGEB N#Cc1cc(C#N)c(SCC(=O)c2ccc(Cl)cc2)nc1N 20457433 AAWDBOZPZLVYOL-UHFFFAOYSA-N 328.784 3.036 30 40 EGEB COc1ccc2cc(/C=N/Nc3ccc(C(=O)O)cc3)c(O)nc2c1 9345707 LIWPQFYMMDEDQP-VXLYETTFSA-N 337.335 3.093 30 40 EGEB CC(C)(C)CCS(=O)(=O)/N=C(\O)c1ncccc1C(F)(F)F 97113038 QTWWQWYJOOOUFY-UHFFFAOYSA-N 338.351 3.171 30 40 EGEB Cc1cc(/C=N/OCc2ccccc2C#N)ccc1N1CCOCC1 408597348 YLLMUAWTGNTYFD-HYARGMPZSA-N 335.407 3.254 30 40 EGEB COc1cc(/C=C/C(=O)c2csc(C(=O)O)c2)cc(OC)c1OC 96404603 RKHZXAAHBRXCED-SNAWJCMRSA-N 348.376 3.368 30 40 EGEB CN(C)c1ccc(C(=O)n2cc(C#N)c3ccccc32)cc1[N+](=O)[O-] 226362705 KUZDTAYVGXJJEQ-UHFFFAOYSA-N 334.335 3.176 30 40 EGEB C[C@@H]1c2ccsc2CCN1CC(=O)Nc1ccc(CC#N)cc1 9503678 XUIDRCQWQQDJOA-CYBMUJFWSA-N 325.437 3.372 30 40 EGEB CC(C)(C)C(=O)N1CCOc2ccc(Nc3ccc(C#N)cn3)cc21 54836766 UWTOWJRZTWCQTJ-UHFFFAOYSA-N 336.395 3.468 30 40 EGEB C[C@H](Sc1ncc2ccccn12)C(=O)NC1(C#N)CCCCC1 26372531 UAPQXERRDYZMBO-ZDUSSCGKSA-N 328.441 3.158 30 40 EGEB N#CCCN(Cc1ccccn1)Cc1cc(O)ccc1Br 93100637 DIKSHOPWOMOSLG-UHFFFAOYSA-N 346.228 3.466 30 40 EGEB COCc1c(C(=O)N(CCC#N)C2CCOCC2)oc2ccccc12 65550426 BGDNIJYZCIMLNZ-UHFFFAOYSA-N 342.395 3.114 30 40 EGEB COc1cc(C(C)=O)ccc1OC(=O)[C@H](C)Oc1ccc(C#N)cc1 14789130 WHAQKIODANWYML-ZDUSSCGKSA-N 339.347 3.142 30 40 EGEB N#Cc1cccc(NC(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)c1 67014100 ASQAYDCEHMUOBR-KRWDZBQOSA-N 343.333 3.442 30 40 EGEB COc1ccccc1[C@@H](CO)Nc1nc(C(F)(F)F)ccc1C#N 71909395 KAFZQODCMLSMDS-GFCCVEGCSA-N 337.301 3.126 30 40 EGEB N#CCC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl 97097136 PLJQZBBVOLTUJR-ZDUSSCGKSA-N 340.210 3.227 30 40 EGEB C=CCCC(=O)N[C@@H](CC(=O)O)c1cccc(Br)c1 95969852 WWWHDTHSIMFXMW-LBPRGKRZSA-N 326.190 3.047 30 40 EGEB C=CCN(Cc1ccccc1F)C(=O)c1cccc([N+](=O)[O-])c1N 75094554 WVJYLQVWOBCRCL-UHFFFAOYSA-N 329.331 3.145 30 40 EGEB C=CCc1cc(/C=N\Nc2nc(C)cc(C)n2)cc(OCC)c1O 408820346 WZWSNWDFEOTJLH-ODLFYWEKSA-N 326.400 3.372 30 40 EGEB C=C(C)CN1CCN(Cc2ccccc2OCc2ccccn2)CC1 22912548 CEKUHPLDKXBVPB-UHFFFAOYSA-N 337.467 3.354 30 40 EGEB CCn1c(C)c(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c2ccccc21 409409104 SRODNOLNZOLWNW-KODHJQJWSA-N 347.418 3.111 30 40 EGEB C=CCOc1ccc(C(=O)NCc2ccc(OC)c(OC)c2)cc1 224638770 KQGYQVMMEZTJNP-UHFFFAOYSA-N 327.380 3.199 30 40 EGEB COc1cc(/N=C2\N=C(O)S\C2=C\c2cnn(C)c2)cc(OC)c1 95473981 OOLXYHZENFIQGH-LNKIKWGQSA-N 344.396 3.169 30 40 EGEB N#Cc1csc(C(=O)N(CCCO)Cc2cccc(Cl)c2)c1 95441461 AIABJBHFSLMSHG-UHFFFAOYSA-N 334.828 3.298 30 40 EGEB COc1cccc(SCC(=O)N[C@H](C#N)c2ccccc2F)c1 79046814 NKFOBSZQHXLPNT-MRXNPFEDSA-N 330.384 3.307 30 40 EGEB C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC/C2=C/CO 4416243 SBMHTRUNPKWTLU-PKJGFKEFSA-N 330.468 3.408 30 40 EGEB C[C@@H]1CCCN(C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@@H]4C[C@@H]32)C1 105366562 HCQODXJXLKLAFK-CYSZZNTHSA-N 347.499 3.245 30 40 EGEB biogenic COc1ccc(N2C(=O)C(O)=C(C(C)=O)[C@H]2c2ccccc2F)cc1 549046 WPFMHFXJFBZQDV-QGZVFWFLSA-N 341.338 3.323 30 40 EGEB CCN(Cc1ccc(C#N)cc1F)C(=O)N[C@H](C)c1cnn(C)c1C 47006948 QUMBMWLARSOZEE-GFCCVEGCSA-N 343.406 3.032 30 40 EGEB C=CCON1C(=O)CN(C(=O)Nc2ccccc2)[C@H]1c1ccccc1 3666019 LNGZJZMHGWRIOJ-GOSISDBHSA-N 337.379 3.179 30 40 EGEB N#Cc1ccc(OCC(=O)Nc2nc(-c3ccccn3)cs2)cc1 6790493 IPNFYUZKONYBNC-UHFFFAOYSA-N 336.376 3.094 30 40 EGEB CCOC(=O)COc1ccc(/C=N/NCc2ccccc2Cl)cc1 8811327 HSZFMTKIQXPHRG-RGVLZGJSSA-N 346.814 3.406 30 40 EGEB Cc1cc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)n(CCC#N)n1 58224049 HGVSMVQTIKJREM-GFCCVEGCSA-N 332.791 3.165 30 40 EGEB C(=N/c1ccc(N2CCOCC2)cc1)\c1ccc(N2CCCC2)o1 59138163 JXGHRELFUIRPMD-HMMYKYKNSA-N 325.412 3.467 30 40 EGEB CCCCCCCCCCCCOC(=O)/C=C\C(=O)NC(N)=O 104335017 OUWYXJOKJCFDQF-SEYXRHQNSA-N 326.437 3.202 30 40 EGEB N#CCCN(C(=O)COC(=O)c1ccccc1Cl)c1ccccc1 5059670 JMPODIKADXFCCT-UHFFFAOYSA-N 342.782 3.444 30 40 EGEB N#Cc1c(N)sc2c1CCN(c1ccnc(-c3ccccc3)n1)C2 65623929 WZYWEJRHXNLCJP-UHFFFAOYSA-N 333.420 3.222 30 40 EGEB N#CC1(C(=O)Nc2cnn(-c3ccccc3Br)c2)CCC1 95440453 GDJSYYMMCRCQKH-UHFFFAOYSA-N 345.200 3.267 30 40 EGEB CCn1c(C)cc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C 409068754 BUWGOCFRUMWXQE-CXUHLZMHSA-N 331.332 3.387 30 40 EGEB C=CCNC(=O)COc1ccccc1-c1noc(-c2ccccc2)n1 33325161 ZLFYOJJRFYNZNX-UHFFFAOYSA-N 335.363 3.085 30 40 EGEB Cc1c(N[C@@H](C)C(=O)N(C)CCC#N)cnn1-c1cccc(Cl)c1 97102916 PRSWUPWQPVLXGR-LBPRGKRZSA-N 345.834 3.007 30 40 EGEB N#Cc1ccc(NCCC(=O)N2CCc3sccc3C2)c(F)c1 69595154 UELIXGIWFHMISK-UHFFFAOYSA-N 329.400 3.146 30 40 EGEB COc1cccc(/C=C2\Oc3cc(O[C@H](C)C(=O)O)ccc3C2=O)c1 12886085 XDUKFPOLCRCBIO-JWHLFPLYSA-N 340.331 3.163 30 40 EGEB biogenic N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)c3ccccc3F)C2)c1 1775971540 SZBPSXLHCQFRIS-OAHLLOKOSA-N 339.370 3.024 30 40 EGEB C=CC/N=C1\S/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)N1CC=C 17028218 YCOOXYWBIZNFNN-SJKKTQPASA-N 329.381 3.239 30 40 EGEB N#Cc1nc(COc2cccc(Cl)c2)oc1NC[C@@H]1CCCO1 539562 GRBJORXBTVSGTL-ZDUSSCGKSA-N 333.775 3.370 30 40 EGEB Cc1csc(CNC(=O)Nc2cccc(OCCCC#N)c2)n1 47736068 ILCNKAVOVGCJLA-UHFFFAOYSA-N 330.413 3.456 30 40 EGEB Cc1ccc(NC(=O)C2CCN(Cc3ccccc3C#N)CC2)nc1 58154623 YYNGHEBKTTZSDY-UHFFFAOYSA-N 334.423 3.112 30 40 EGEB O=C(/C=C/c1ccc2c(c1)CCO2)c1cccc(N2CCOC2=O)c1 58246916 DUQQADXLPNAKTL-GQCTYLIASA-N 335.359 3.474 30 40 EGEB C=CCN(CC(F)(F)F)C(=O)c1ccc(NC(=O)NC(C)C)cc1 58272297 JDCIFPYHUZMRMW-UHFFFAOYSA-N 343.349 3.407 30 40 EGEB COCc1nc(C(=O)[C@H](C#N)C(=O)c2ccc(C)cc2C)cs1 102707539 RJGUTEVVALBBNZ-CYBMUJFWSA-N 328.393 3.112 30 40 EGEB CSC(/N=C\N(C)C)=N\N=C(/C)c1ccc(Br)cc1 104244929 ZVFBGKJLSGQLKE-IADTUTGYSA-N 341.278 3.482 30 40 EGEB C=CCN1/C(=N/c2ccc(C(C)=O)cc2)SC/C1=C\C(=O)OC 28627936 YFVAACZEQCZEFY-RUCSPORFSA-N 330.409 3.168 30 40 EGEB CCOC(=O)C1(c2ccccc2)CCN(C[C@H](C#N)CCC#N)CC1 95399129 RYAKPSOBZHKTDE-KRWDZBQOSA-N 339.439 3.027 30 40 EGEB O=C(O)CCCC/C(=N/Nc1ccccc1[N+](=O)[O-])c1ccccn1 5246588 ULGBXRZMAHARRA-RGEXLXHISA-N 342.355 3.451 30 40 EGEB CC(C)[C@](C)(C#N)NC(=O)CNc1ccccc1SC[C@@H](C)C#N 69704052 RRZHBFJYTRZTOP-KSSFIOAISA-N 344.484 3.405 30 40 EGEB CCS(=O)(=O)c1ccc2oc(COc3ccccc3C#N)nc2c1 89274616 NKPPWKCISGRLQU-UHFFFAOYSA-N 342.376 3.072 30 40 EGEB C=CCc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc(OC)c1O 408910907 LWBIWCOCIRSCEU-WQRHYEAKSA-N 327.340 3.484 30 40 EGEB N#Cc1cnccc1N1CC[C@@]2(NC(=O)C3CCCCC3)CCC[C@@H]12 1069231755 RYFUNNPTYRMBNQ-QUCCMNQESA-N 338.455 3.151 30 40 EGEB C=CCNC(=O)C1(Cc2ccc(-c3ccncc3)cc2)CCOCC1 257222753 DUOXNALQRZTXBG-UHFFFAOYSA-N 336.435 3.390 30 40 EGEB N#CC1CCN(C(=O)CCc2ncc(-c3c(F)cccc3F)o2)CC1 61585051 WHCZOTRZKBYRFB-UHFFFAOYSA-N 345.349 3.315 30 40 EGEB CCc1ccc(-c2nn(-c3ccccc3)cc2/C=N\NC(N)=S)cc1 16162060 RMUWVPWPVNKYIY-MTJSOVHGSA-N 349.463 3.269 30 40 EGEB CC(=O)[C@@H]1OC(=O)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3CC[C@@]12C 252515700 MWNGEGBEVJTPIP-LLLQWQLGSA-N 342.435 3.405 30 40 EGEB biogenic,in-vitro COc1cc(/C=C2/S/C(=N/c3ccccc3F)NC2=O)ccc1O 6008484 NBLULSWUEHEEHR-OQLLNIDSSA-N 344.367 3.432 30 40 EGEB N#Cc1ccc(CN2CCC[C@H](C(=O)N3CCC(F)(F)CC3)C2)cc1 2298196412 QTRKSFGHVHYEQH-KRWDZBQOSA-N 347.409 3.028 30 40 EGEB COc1ccccc1/C=N/N=C1/SCC(=O)N1Cc1ccccc1 2354242 LDXNKOHRELANAL-DSTXHIGZSA-N 339.420 3.161 30 40 EGEB COC(=O)c1scc(-c2ccc(OC)c(OC)c2)c1/N=C/N(C)C 100025596 FLRVZRKVCUFCEQ-VCHYOVAHSA-N 348.424 3.440 30 40 EGEB CCOC(=O)C1=C2CCCC[C@@H]2[C@@H](c2ccccc2)C(C#N)(C#N)C1=O 507108 REIBZBDQMVFGEB-FUHWJXTLSA-N 348.402 3.436 30 40 EGEB N#Cc1ccc(OCC(=O)NCc2nc(-c3ccccc3)cs2)cc1 41650607 VUOZLQRVHNUNJR-UHFFFAOYSA-N 349.415 3.377 30 40 EGEB Cc1ccc2cc(C#N)c(N3CCCN(C(=O)C4CCC4)CC3)nc2c1 20151503 FNIXWYVCPIXDDM-UHFFFAOYSA-N 348.450 3.254 30 40 EGEB C[C@@H]1C[C@@H]1c1ccc(CN(C)C[C@@H](O)COc2ccc(C#N)cc2)o1 28694498 DBVMUYJRUCBCAP-OGWOLHLISA-N 340.423 3.146 30 40 EGEB CC(=O)/C(=C/Nc1ccc(C(C)=O)cc1)S(=O)(=O)c1ccccc1 2561841 BGEJGDCSVREPPW-PDGQHHTCSA-N 343.404 3.205 30 40 EGEB COc1ccc2c(c1)CCC/C2=N/OCC(=O)N(C)c1ccccc1 96298016 NPEYOSHLECLAJK-VZCXRCSSSA-N 338.407 3.415 30 40 EGEB COc1cc2c(cc1OC)C(=O)/C(=C/c1cc3ccccc3[nH]c1=O)C2 85880074 XTXIVYLAMMDBNF-NTEUORMPSA-N 347.370 3.368 30 40 EGEB biogenic CCCO[C@@](C)(C(=O)Nc1ccc(OC(C)=O)cc1C#N)C1CC1 225858773 AWNNRDARRRSRGM-GOSISDBHSA-N 330.384 3.017 30 40 EGEB C=CCOc1c(C#N)cc(I)cc1OCC 225290981 YXFVVWOQGTXAKZ-UHFFFAOYSA-N 329.137 3.126 30 40 EGEB N#Cc1cc(N[C@H]2CCN(C(=O)C3CCCCC3)C2)ccc1[N+](=O)[O-] 97145122 ZFEYPEQPVYUKAT-INIZCTEOSA-N 342.399 3.060 30 40 EGEB S=C(/N=C/N1CCOCC1)N(c1ccccc1)c1ccccc1 16488013 PQTDDFWDQCONRY-XDJHFCHBSA-N 325.437 3.470 30 40 EGEB CCN(CC)C1=C(n2nnc3ccccc32)C(=O)c2ccccc2C1=O 33641 OQDAMAITBCVWCU-UHFFFAOYSA-N 346.390 3.021 30 40 EGEB Cc1cc2cc(C#N)c(SCC(=O)N3CCCC3)nc2cc1C 412236 FPISTCJPTBQEHG-UHFFFAOYSA-N 325.437 3.438 30 40 EGEB C[C@H]1CN(C)[C@@H](C)C/C1=N/OC(=O)c1ccc(Br)cc1 3897066 VECVVFWDMWKASS-WCFDQUBMSA-N 339.233 3.322 30 40 EGEB CCOc1ccc(S(=O)(=O)N/N=C/C=C/c2ccccc2)cc1 3526700 GYENYADLDRLJON-RZZDJWKDSA-N 330.409 3.063 30 40 EGEB C=CCOc1ccccc1C(=O)NCCc1cccc([N+](=O)[O-])c1 95444147 NAHUJCQQPBJNBL-UHFFFAOYSA-N 326.352 3.132 30 40 EGEB O=C(Nc1ccccc1C#Cc1ccccc1)N1CC[C@@H](CCO)C1 89821671 FUSRZLPKANLZHH-SFHVURJKSA-N 334.419 3.323 30 40 EGEB CCOc1ccc([C@H]2[C@H](C#N)C(=O)Nc3nc4ccccc4n32)cc1 20637396 JBMAANWKNVCDBM-YOEHRIQHSA-N 332.363 3.116 30 40 EGEB CCCCCCCC[C@@H](O)[C@H](O)/C=C\[C@H](O)CCCCC(=O)O 67911363 KFPLVZLISLBBSJ-CUBSXPCFSA-N 330.465 3.021 30 40 EGEB biogenic,in-vitro Cc1ccccc1NC(=O)NCC1CCN(c2ncccc2C#N)CC1 70929482 DSCGZLJYYFDPOI-UHFFFAOYSA-N 349.438 3.300 30 40 EGEB N#Cc1cc(NCC(=O)Nc2ccnn2C2CCCC2)ccc1F 85276410 ICHRYTQMUKKWDT-UHFFFAOYSA-N 327.363 3.060 30 40 EGEB CCOc1ccc(CN2C(=O)/C(=N\O)c3c(C)cccc32)cc1OC 46085117 IIUWPMPUVSCSFW-ZZEZOPTASA-N 340.379 3.127 30 40 EGEB CN(CCOc1ccccc1Cl)C(=O)NCC#Cc1ccccc1 40071271 RLXVTZOSIIETFB-UHFFFAOYSA-N 342.826 3.412 30 40 EGEB C=CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(C(C)C)cc1 5012042 NRTQYUICYSGNQR-INIZCTEOSA-N 330.453 3.332 30 40 EGEB Cc1ccc2c(c1)C(=O)NC1=C(c3nc4ccccc4s3)C(=O)CN12 102135442 WGFPUFNFLCWKGQ-UHFFFAOYSA-N 347.399 3.106 30 40 EGEB COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(C)cn1 32931362 POXXRPJRHHXOOB-UHFFFAOYSA-N 325.368 3.068 30 40 EGEB C#Cc1cccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)c1 24376144 WMTJOJUOENOPMQ-UHFFFAOYSA-N 341.310 3.367 30 40 EGEB C=CCO[C@@H](C)C(=O)N[C@@H](C)c1ccc(OC)c(Br)c1 58342996 XHQGLRKFTKANCD-QWRGUYRKSA-N 342.233 3.226 30 40 EGEB C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C=C[C@@H]2[C@@H]1CO1 118923368 RJGSCPUIDCIOCH-ZKHSGZSQSA-N 326.436 3.056 30 40 EGEB Cc1ncc(CO)c(/C=N/Nc2ccnc3cc(Cl)ccc23)c1O 7786971 ZTRQJMLXJOFABV-ODCIPOBUSA-N 342.786 3.236 30 40 EGEB N#CCOc1ccc(Cl)cc1CN1CCN(c2nccs2)CC1 70040430 CWCVQJXMBDRBBT-UHFFFAOYSA-N 348.859 3.021 30 40 EGEB CC(C)(CCC#N)CNCc1nnc2n1CCC[C@@H]2C(F)(F)F 95402041 XTGOQXVQNDRJID-NSHDSACASA-N 329.370 3.137 30 40 EGEB C=CCN(C(=O)c1c(C)noc1C)[C@@H]1CCN(Cc2ccccc2)C1 72275023 QZWQJRYHLIYTRK-GOSISDBHSA-N 339.439 3.194 30 40 EGEB N#Cc1cccc(CNC(=O)N(CCc2ccccc2)[C@@H]2CCOC2)c1 89830589 QUJUGYGLFBUPHX-HXUWFJFHSA-N 349.434 3.101 30 40 EGEB CCn1nc(C)c(C(=O)[C@H](C#N)c2nc3ccccc3n2C)c1Cl 96441811 DJETYBHNBVVILS-NSHDSACASA-N 341.802 3.242 30 40 EGEB CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccc(C)c(OC)c2)n1 67896184 JDAFXARNBPTVGR-LBPRGKRZSA-N 344.392 3.127 30 40 EGEB C=CCc1cc(C(=O)NCCc2ccc(OC)cc2)ccc1OC 14400152 VSDRJAIFMDKTQS-UHFFFAOYSA-N 325.408 3.405 30 40 EGEB COC[C@H](C)n1c(C)cc(C(=O)COc2cccc(C#N)c2)c1C 6401170 TTZFTCCIMQFIGL-AWEZNQCLSA-N 326.396 3.446 30 40 EGEB O=C1N/C(=N/c2ccccc2)S[C@H]1Cc1ccccc1[N+](=O)[O-] 17028713 OFUSUYFICBTORD-AWEZNQCLSA-N 327.365 3.057 30 40 EGEB N#Cc1ccc(NC(=O)NCCNc2ccc(C(F)(F)F)cn2)cc1 31662346 TUWSZKNHCIXHSK-UHFFFAOYSA-N 349.316 3.206 30 40 EGEB CC12CN3CN(C1)CC(C)(C3)C2/N=C/c1c[nH]c2cc(Cl)ccc12 32103563 NOABJPGSLIOEEX-QPJQQBGISA-N 342.874 3.224 30 40 EGEB C(=N/c1nc2ccccc2n1CCN1CCOCC1)\c1cccs1 499570 XJDSFNLAODQDIW-XMHGGMMESA-N 340.452 3.181 30 40 EGEB COc1ccc([C@H]2CCCN2c2nnc(C)c(C)c2C#N)c(OC)c1 24054856 NCENBWOGDRDHRF-QGZVFWFLSA-N 338.411 3.324 30 40 EGEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCSCC4)[C@H]3C[C@@H]12 61992882 ZCCNWNMIFSQHGL-OGJJZOIMSA-N 335.513 3.349 30 40 EGEB biogenic COc1cccc(N/N=C2/C(=O)Nc3cc(N4CCCC4)ccc32)c1 43950059 JBACXYKABYWCTF-UHFFFAOYSA-N 336.395 3.064 30 40 EGEB Cc1c(C(=O)O)oc2c1/C(=N/Nc1ccc(C(=O)O)cc1)CCC2 43903402 LQUJROMKPVNBPO-XDHOZWIPSA-N 328.324 3.137 30 40 EGEB CCOc1ccc(CCC(=O)Nc2cc(C)nn2CCC#N)cc1 58223219 IOAJCLOLOOOQOW-UHFFFAOYSA-N 326.400 3.075 30 40 EGEB NC(=O)COc1ccc(/C=N\c2ccc(Br)cc2)cc1 100202678 VYSVXRCXRRQWDX-NVMNQCDNSA-N 333.185 3.064 30 40 EGEB COc1ccc(OC)c(/C=C2\Oc3cc(OC(C)=O)ccc3C2=O)c1 12859358 VGORPJHVCPIUHO-NVMNQCDNSA-N 340.331 3.245 30 40 EGEB biogenic N#Cc1nc(NC(=O)c2ccc(Oc3cccc(F)c3)cc2)[nH]c1C#N 65567055 KNZZTKRTQWZXOM-UHFFFAOYSA-N 347.309 3.337 30 40 EGEB Cc1ccccc1N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 5337864 SFCJIKAAINHXAT-CPNJWEJPSA-N 340.383 3.186 30 40 EGEB COc1cccc(/N=C\c2ccc(OCC(=O)NC(C)C)cc2)c1 408806960 NSJSUDVUTBZMTO-NDENLUEZSA-N 326.396 3.349 30 40 EGEB C/N=C1/S/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1C 408855069 DBRRESUVNVGRPP-ASTXAYLFSA-N 343.364 3.387 30 40 EGEB N#C[C@]1(NC(=O)c2ccc(Oc3cccnc3)cc2)CCSC1 67918265 TVXGFXWFABRREJ-QGZVFWFLSA-N 325.393 3.003 30 40 EGEB N#Cc1cc(NCc2cccc(Cn3ccnc3)c2)ccc1[N+](=O)[O-] 97144453 QLMHYTXQDIHVHB-UHFFFAOYSA-N 333.351 3.323 30 40 EGEB Cc1ccc(N=C2NC(=O)/C(=C\c3ccc([N+](=O)[O-])o3)S2)cc1 408960658 HQYZPKNYPOCTIM-XYOKQWHBSA-N 329.337 3.388 30 40 EGEB Cc1ccc(-n2cnc3c2CCN(c2ccc(C)c(C#N)n2)C3)cc1 562326637 KIAHGMVGWRNPBD-UHFFFAOYSA-N 329.407 3.319 30 40 EGEB CCCCCCCCCNC(=O)c1c(O)n2ccc(C)cc2nc1=O 226822159 OHNVGDUXKNRHEA-UHFFFAOYSA-N 345.443 3.189 30 40 EGEB COc1cccc2c1ccn2CC/C(O)=N/c1nc(C2CC2)n[nH]1 95477842 UPRGLQVACBQWNE-UHFFFAOYSA-N 325.372 3.324 30 40 EGEB C=CCN1C(=O)CCC[C@]12CCCN(C(=O)c1ccc(C)c(C)c1)C2 96077083 LCHGZWBNSPAJSV-OAQYLSRUSA-N 340.467 3.477 30 40 EGEB CN1CCC(n2ncc3cc(-c4cccc(F)c4C#N)cnc32)CC1 598929872 JWPDXTAHSINPGH-UHFFFAOYSA-N 335.386 3.376 30 40 EGEB COc1ccccc1OCC#CCNC(=O)c1ccccc1SC 90610387 JHXVNBXQXJUMNC-UHFFFAOYSA-N 341.432 3.229 30 40 EGEB COc1cccc([C@H](C)N2CCN(c3cc(C#N)cc(C)n3)CC2)c1 587872965 OMNBNRYDYZDDJU-INIZCTEOSA-N 336.439 3.154 30 40 EGEB Cc1cccc2ncc(/C=C3\S/C(=N\C4CCCC4)NC3=O)n12 98056289 ZCHIRSOLLJGVOV-ZROIWOOFSA-N 326.425 3.145 30 40 EGEB CCOc1ccccc1/C=C1\C(=O)ON=C1c1ccc([N+](=O)[O-])cc1 32186 FDERTFWYMKKTHU-PTNGSMBKSA-N 338.319 3.338 30 40 EGEB CC[C@@]1(C)C[C@@](O)(CC/N=C/c2ccc(OC)c(OC)c2)CCO1 4026763 JPFVAGVFSAETKK-YLSNXBBWSA-N 335.444 3.223 30 40 EGEB biogenic C[C@H]1CCC[C@H](C)N1C[C@H](O)Cn1cc(/C=N/O)c2ccccc21 4247653 SGYVGMPHVDOWDO-LDEOWMTBSA-N 329.444 3.073 30 40 EGEB C=CCNc1nc(C)c([N+](=O)[O-])c(Nc2ccc(OCC)cc2)n1 5393481 GTYUPLXDVAAXIJ-UHFFFAOYSA-N 329.360 3.433 30 40 EGEB N#Cc1cccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c1 6252095 GKZASWGPZMWWSR-UHFFFAOYSA-N 340.448 3.202 30 40 EGEB O=C(O)c1cc(/N=C/C=C/c2ccc([N+](=O)[O-])cc2)cc(C(=O)O)c1 20457324 VDLUMZBLVKDMLS-RFFZPADBSA-N 340.291 3.407 30 40 EGEB Cc1ccn(Cc2nc3cc(C(F)(F)F)ccc3o2)c(=O)c1C#N 97141221 XFXSYCIUGZDODT-UHFFFAOYSA-N 333.269 3.237 30 40 EGEB COc1cc(N/C=C/C(=O)c2ccc3c(c2)OCO3)cc(OC)c1 44842430 ODNGDNPCOLECIR-AATRIKPKSA-N 327.336 3.241 30 40 EGEB N#Cc1cccc([C@@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)c1 11036654 ZSXDOUIRZXTJBJ-VQIMIIECSA-N 333.391 3.304 30 40 EGEB C[C@@H](NC(=O)c1ccc(NC(=O)CC#N)cc1)c1ccc(F)cc1 6560984 KJTIQJWQFQIRLN-GFCCVEGCSA-N 325.343 3.169 30 40 EGEB CCC[C@H](C)C/C(O)=N/S(=O)(=O)c1ccc2c(c1)OCCCO2 71850165 NTOGGFHQJPHTSG-LBPRGKRZSA-N 341.429 3.319 30 40 EGEB N#Cc1cc(NC[C@H](O)c2ccsc2)nc2ccc([N+](=O)[O-])cc12 76063257 OUPZRYMZKAETNQ-HNNXBMFYSA-N 340.364 3.222 30 40 EGEB COc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)ccc1OC(C)C 408750501 OABCRIQCACDBLF-NVMNQCDNSA-N 330.344 3.232 30 40 EGEB O=C1c2ccccc2C(=O)N1/N=C/c1cc(Cl)cc(Cl)c1O 160702 OXEQBGOMYAVJJM-CNHKJKLMSA-N 335.146 3.329 30 40 EGEB CCOc1cccc([C@H]2C3=C(C[C@@H](C)CC3=O)Nc3nc(C)nn32)c1 14164951 LMBGNCVWFOKTEB-ZMZPIMSZSA-N 338.411 3.253 30 40 EGEB Cc1[nH]c2ccccc2c1/C=N/N1C(=O)NC2(CCC(C)CC2)C1=O 3580892 VSHLYOQWRKUINV-RGVLZGJSSA-N 338.411 3.311 30 40 EGEB C[C@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccc(CC#N)cc2)CC1=O 72729530 WYSHCCLDNGAWMF-CRAIPNDOSA-N 347.418 3.301 30 40 EGEB C[C@@H]1C[C@@H](C)CN(CCCCNC(=O)CCc2ccc(C#N)cc2)C1 47037827 OHKGJRKWSGFLAI-QZTJIDSGSA-N 341.499 3.365 30 40 EGEB O=C(/C=C/c1ccc(N2CCOCC2)cc1)c1ccc2c(c1)CCO2 12543992 QIBHGHABFGYDME-XVNBXDOJSA-N 335.403 3.354 30 40 EGEB CN(CC#N)C(=O)c1ccc(SCc2cn3ccccc3n2)cc1 58158105 WNMGLGGSTWSNRG-UHFFFAOYSA-N 336.420 3.222 30 40 EGEB COc1cc([C@@H](C)Nc2c(F)cc(C#N)cc2F)ccc1OCCO 58208799 ANXISKPSPGYTAZ-LLVKDONJSA-N 348.349 3.389 30 40 EGEB C/C(=N\Nc1ccccc1C(=O)O)c1ccc(N2CCCC2=O)cc1 13459627 MHANGWABEVWVBN-DEDYPNTBSA-N 337.379 3.348 30 40 EGEB Cn1c(-c2ccccc2)cnc1SCC(=O)NC1(C#N)CCCC1 5263957 GKURAZAUAXPDLE-UHFFFAOYSA-N 340.452 3.132 30 40 EGEB CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1cccc(C#N)c1 7807718 IXQJGMZOXOQEOW-KSSFIOAISA-N 335.407 3.341 30 40 EGEB Cn1ccc(CNC(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)c1 81634299 OHAKWPVCAGXUIH-UHFFFAOYSA-N 347.378 3.406 30 40 EGEB N#Cc1c(NC(=O)c2cnccn2)sc2c1-c1ccccc1CC2 95364851 JAHMFXXTFNREOI-UHFFFAOYSA-N 332.388 3.428 30 40 EGEB COc1cc(C)c(S(=O)(=O)NC2(C#N)CCCCCC2)cc1C 95944027 FXPLSBFXIWRTNY-UHFFFAOYSA-N 336.457 3.207 30 40 EGEB CN(C)C(=O)c1cccc(C(=O)[C@H](C#N)c2nc3ccccc3s2)c1 89312115 ZXKRKZQHIIJECN-AWEZNQCLSA-N 349.415 3.488 30 40 EGEB N#C[C@@]1(C(F)(F)F)CCCN1C(=O)c1cc(F)cc2cccnc12 585126117 OXKLEPCQJTXTRF-OAHLLOKOSA-N 337.276 3.435 30 40 EGEB CC(C)c1nnc(SCC(=O)Nc2sccc2C#N)n1C1CC1 10837766 WYTHCMXPMMZHAF-UHFFFAOYSA-N 347.469 3.400 30 40 EGEB COc1ccc2oc(=O)c(C(=O)C[n+]3ccc4ccccc4c3)cc2c1 4853053 KTIFKYBTMGTWBF-UHFFFAOYSA-N 346.362 3.125 30 40 EGEB C=CCN(Cc1ccccc1)C(=O)c1cccc(N2CCNC2=O)c1 58104991 KVJWHGLTINXUFV-UHFFFAOYSA-N 335.407 3.045 30 40 EGEB N#Cc1ccccc1CSc1nnnn1CCc1cccs1 10880802 WCHXKOMMWWSYMQ-UHFFFAOYSA-N 327.438 3.141 30 40 EGEB COc1ccc(OC)c(-c2cc3ccc(OCC#N)cc3oc2=O)c1 4085548 PMIXBFZQVQNODN-UHFFFAOYSA-N 337.331 3.380 30 40 EGEB biogenic COc1cc2c(cc1OC)[C@H]1C/C(=N\O)[C@@H](CC(C)C)CN1CC2 13879153 APWMOWABPJKXTE-RBGWEIGCSA-N 332.444 3.499 30 40 EGEB O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(C(=O)O)cc1 5714561 VYJSAYJWGKRSIG-NTEUORMPSA-N 342.351 3.416 30 40 EGEB N#Cc1c(Cl)nsc1NCc1ccc(N2CCCC2=O)cc1 69161072 MKWBVGPCOYRPLL-UHFFFAOYSA-N 332.816 3.407 30 40 EGEB COc1ccc(C(=O)N2CCCC[C@H]2[C@H](C#N)c2ccccc2)cn1 72297931 XWRZJENCIOTAHZ-MSOLQXFVSA-N 335.407 3.392 30 40 EGEB COc1ccc(C(=O)N2CCCC[C@@H]2[C@@H](C#N)c2ccccc2)cn1 72297928 XWRZJENCIOTAHZ-ZWKOTPCHSA-N 335.407 3.392 30 40 EGEB COC[C@@]1(C#N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(C)cc1 218360839 FKTFUAWAFDBREG-GBESFXJTSA-N 341.432 3.091 30 40 EGEB C=CCN(c1ccccc1F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225027047 BNCAALOZESXIKB-UHFFFAOYSA-N 336.344 3.115 30 40 EGEB N#Cc1ccc(-c2nc([C@H]3CC(=O)N(c4ccccc4)C3)no2)cc1 44213929 HFGLLJRWJOOFSU-HNNXBMFYSA-N 330.347 3.129 30 40 EGEB N#Cc1cccc(/C(O)=N/S(=O)(=O)Cc2ccccc2Cl)c1 83791757 JBYOEGFPKXFHFL-UHFFFAOYSA-N 334.784 3.046 30 40 EGEB CC(C)(C)n1cc(/C(O)=N/[C@H](c2ccccc2)[C@@H]2CCOC2)nn1 330159583 QQDVULCUNIMCPO-GDBMZVCRSA-N 328.416 3.116 30 40 EGEB N#Cc1c(F)cccc1N1CCN(C(=O)CC(C2CC2)C2CC2)CC1 68437233 PPSMAQOJRSUUGK-UHFFFAOYSA-N 341.430 3.172 30 40 EGEB Cc1cccc(N2CCN([C@@H](C)C(=O)Nc3cccc(C#N)c3)CC2)c1 57323136 ZQTKFMODIYFZCY-KRWDZBQOSA-N 348.450 3.016 30 40 EGEB COc1cccc(C(=O)C[n+]2cc(-c3ccccc3)n3c2CCC3)c1 13777721 JHDDVUZIPKBYMK-UHFFFAOYSA-N 333.411 3.280 30 40 EGEB C=CCN1CCCC12CCN(C(=O)Cc1noc3ccccc13)CC2 2055824408 OHHGQDOBMVJVEO-UHFFFAOYSA-N 339.439 3.013 30 40 EGEB N#Cc1ccc(N2CCN(c3cccc(Br)c3)CC2)cn1 343152950 XZJSSEYAGQHEEE-UHFFFAOYSA-N 343.228 3.042 30 40 EGEB CC/N=C1/S[C@H](C(=O)Nc2ccc(Cl)cc2)CC(=O)N1CC 100107251 OCRFLCKUTVWREO-FUYOWACXSA-N 339.848 3.008 30 40 EGEB COc1cccc2c1N(CC(=O)Nc1sccc1C#N)CCC2 31581318 JTYLWVWUEZDSFE-UHFFFAOYSA-N 327.409 3.020 30 40 EGEB CNc1nc2ccccc2n1/N=C/c1cc(Br)ccc1O 348296 OXWPSOQHYWQHSY-GIJQJNRQSA-N 345.200 3.428 30 40 EGEB CN1/C(=C\C(=O)Cn2c(=O)oc3ccccc32)C(C)(C)c2ccccc21 57971794 UPILQGCVXSMREN-UNOMPAQXSA-N 348.402 3.475 30 40 EGEB COc1ccc(N2CCC(Nc3nnc(C)c(C)c3C#N)CC2)cc1 58343117 RRKLXBQFKDGRJQ-UHFFFAOYSA-N 337.427 3.055 30 40 EGEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCc4cccnc4)[C@H]3C[C@H]12 3999500 POMCUIZHMHCWOJ-DRJBRKBZSA-N 340.467 3.485 30 40 EGEB biogenic N/C(=N\O)c1cn(CCOc2ccccc2Cl)c2ccccc12 4140768 LNFUQRTXRCWGNP-UHFFFAOYSA-N 329.787 3.468 30 40 EGEB C/C(=N\Nc1nc2ccccc2[nH]1)c1ccc(N2CCOCC2)cc1 5070898 NQUIUZVJXRRJHF-HYARGMPZSA-N 335.411 3.236 30 40 EGEB CC(C)n1c(CNC(=O)COc2ccc(C#N)cc2)nc2ccccc21 72288883 FHEHCBRPNAZATI-UHFFFAOYSA-N 348.406 3.184 30 40 EGEB CC1(C)Cc2c(sc(NC(=O)NCc3ccco3)c2C#N)CO1 6662282 XDOSWFFXBWTREZ-UHFFFAOYSA-N 331.397 3.386 30 40 EGEB COCCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 69621874 IEHUVAQNXOWQHK-UHFFFAOYSA-N 341.367 3.127 30 40 EGEB COC(=O)c1ccccc1/N=C\c1ccc(O[C@@H](C)C(=O)O)cc1 408808339 FPQVWOOPTAOKSE-XHEYCZLTSA-N 327.336 3.076 30 40 EGEB CN(C)[C@@H](CNC(=O)c1cccc(CC#N)c1)c1c(F)cccc1F 96406371 JUKCJFYGMIENLJ-KRWDZBQOSA-N 343.377 3.064 30 40 EGEB N#C[C@H]1CCCC[C@H]1OC(=O)CCN1C(=O)CCc2cc(F)ccc21 96441994 ZJJNQXMLKNEZEG-RHSMWYFYSA-N 344.386 3.121 30 40 EGEB CC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1C#N)c1ccncc1 96483546 HRYPVWHICYLABW-CQSZACIVSA-N 335.816 3.036 30 40 EGEB CC1=NC(=N)S/C1=N\NC1=C(C)[C@H](C)[C@@H](c2ccccc2)C1=O 1554503365 GQOASFRDYQRXMK-LOIOPTLMSA-N 326.425 3.309 30 40 EGEB C/C(=N\c1ccc(C(=O)O)cc1)c1c(O)c2ccccc2n(C)c1=O 5725447 ARRRRVOBTVOJPC-RGVLZGJSSA-N 336.347 3.083 30 40 EGEB C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)O 3927795 XEFVQCSDIKHROY-SEMYFXIOSA-N 332.440 3.190 30 40 EGEB biogenic,in-vitro Cc1ccc(/C(O)=C2\C(=O)C(=O)N[C@@H]2c2ccccc2Cl)cc1 104144312 ZTXARSUSXOJXSK-DPEHCCBOSA-N 327.767 3.358 30 40 EGEB COc1ccc2c(c1)[nH]c1c(=O)n(/N=C/c3ccc(C)cc3)cnc12 531014 WEZFGKDJFVGQCW-UFFVCSGVSA-N 332.363 3.077 30 40 EGEB N#CC1(C(=O)NCc2ccc(COCC(F)(F)F)cc2)CCCC1 42059721 UJBKRFRYKPSTSX-UHFFFAOYSA-N 340.345 3.466 30 40 EGEB CC(=O)Nc1ccc2nc(NC(=O)c3ccc(C#N)cc3F)oc2c1 6305068 ZKROXSWAWWTECQ-UHFFFAOYSA-N 338.298 3.049 30 40 EGEB Cc1nc(NC(=O)[C@H](c2ccccc2)N(C)C)sc1SCC#N 58392908 SJTUHFHIXYVSAY-ZDUSSCGKSA-N 346.481 3.309 30 40 EGEB N#Cc1cccc(C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)c1 36624652 BPUWBADTAJSNKG-UHFFFAOYSA-N 345.855 3.231 30 40 EGEB N#CC1(NC(=O)CNc2cc(Cl)ccc2N2CCCC2)CCCC1 11620982 JRQPOHNMWSDHQG-UHFFFAOYSA-N 346.862 3.305 30 40 EGEB Cc1ccc(NC(=O)C/C(N)=N/OC(=O)Nc2cccc(C)c2)cc1 6550680 JVXUTVGQTMTBOF-UHFFFAOYSA-N 340.383 3.153 30 40 EGEB N#Cc1c[nH]c(C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)c1 95406920 DOGVZTUKXYJSIX-UHFFFAOYSA-N 328.335 3.077 30 40 EGEB CCc1cc(N2CCC(Nc3ccc(F)cc3C#N)CC2)ncn1 89282929 JOMSRPOANCSCEL-UHFFFAOYSA-N 325.391 3.131 30 40 EGEB COCCn1c(C)cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c1C 408591775 KLAJQLXZDWFMQU-WOJGMQOQSA-N 331.372 3.210 30 40 EGEB Cc1ccoc1C=Nn1c(C)nc2ccc(Br)cc2c1=O 409302334 DJCNNBPCWZLKJN-UHFFFAOYSA-N 346.184 3.251 30 40 EGEB CCCCCCCC(=O)Nc1nc(C)c(SCC(N)=O)s1 102993745 BDQHHBPFUAAFFL-UHFFFAOYSA-N 329.491 3.328 30 40 EGEB CC(C)OC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCCC1 551974 NPRZORIXIHPTSB-AWEZNQCLSA-N 338.411 3.179 30 40 EGEB C[C@@H]1C[C@@H]1c1ccc(CN(C)S(=O)(=O)c2ccc(C#N)cc2)o1 22246401 JWPAPAPCJDVGQK-WBMJQRKESA-N 330.409 3.095 30 40 EGEB CCN(C[C@@H](C)C#N)C(=O)CN(C)Cc1ccc(Cl)c(Cl)c1 97473545 NMOLQGSTMMUWST-LBPRGKRZSA-N 342.270 3.433 30 40 EGEB CCCCOc1ccccc1/C=N/NS(=O)(=O)c1ccccc1 3084669 MPSXGBOGHXSTKU-NBVRZTHBSA-N 332.425 3.178 30 40 EGEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@@H](C)c1cccs1 24538806 YDVWAGJBFQVHHV-ZDUSSCGKSA-N 343.452 3.077 30 40 EGEB CC[C@H](NC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)c1cccs1 55966957 HKRZRWUSHGWWTB-HNNXBMFYSA-N 343.452 3.125 30 40 EGEB CCn1c(C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)cc2ccccc21 58265697 FISJNLGSDMMOMT-OAHLLOKOSA-N 347.422 3.469 30 40 EGEB CC[C@@H](CO)Nc1nc(SC)nc(-c2ccc(C)cc2)c1C#N 19820697 OFNJJWGJBBSQGS-ZDUSSCGKSA-N 328.441 3.228 30 40 EGEB N#Cc1ccc(N2CCC(NCc3ccccc3Cl)CC2)nc1 67011060 YOQUCJIFCAIAPR-UHFFFAOYSA-N 326.831 3.365 30 40 EGEB C#CCOc1cccc(NC(=O)N(C)Cc2ncc(CC)s2)c1 96447163 GVGNBLLUZSNZMS-UHFFFAOYSA-N 329.425 3.381 30 40 EGEB C=C(C)COc1cccc(NC(=O)NC2CCN(C3CC3)CC2)c1 67319616 PUXVVHNOYLOLDV-UHFFFAOYSA-N 329.444 3.390 30 40 EGEB Cc1cc(NC(=O)Cc2ccc(OCC#N)cc2)n(C(C)(C)C)n1 95394684 FHKTZHOINNPMTO-UHFFFAOYSA-N 326.400 3.030 30 40 EGEB N#Cc1ccc(N2CCC[C@@H](Sc3cc(C#N)ccn3)C2=O)cc1 97047702 RWEXNAAZJHXCAO-MRXNPFEDSA-N 334.404 3.113 30 40 EGEB CC(C)c1nc([C@H]2CCCN(c3c(C#N)nnc4ccccc34)C2)no1 72293764 FQMMERSXESWWMA-ZDUSSCGKSA-N 348.410 3.392 30 40 EGEB CN(C)c1ccc(CN2CC[C@H](c3nc4ccc(C#N)cc4[nH]3)C2)cc1 35446844 LBTOZCSJUTVFFQ-KRWDZBQOSA-N 345.450 3.490 30 40 EGEB biogenic,in-vitro Cc1ccc(C(=O)O)cc1/N=C\c1ccc(N2CCOCC2)c(F)c1 409130443 HUXUZTLMIZQCJC-MTJSOVHGSA-N 342.370 3.420 30 40 EGEB CN(C)c1cc(C(=O)N(CCC#N)Cc2ccco2)nc2ccccc12 225802676 ZQNITJRLXOPUQM-UHFFFAOYSA-N 348.406 3.450 30 40 EGEB N#Cc1cnc(N2CCC[C@@H](COc3ccncc3)C2)c(Cl)c1 1776001624 CJUYMZOMKVMGRZ-CYBMUJFWSA-N 328.803 3.297 30 40 EGEB N#Cc1ccsc1N1CC[C@@H](Sc2nnc(C3CC3)s2)C1=O 83095805 LDQDQEKHEGQEPU-SNVBAGLBSA-N 348.478 3.246 30 40 EGEB Cc1cc(C)nc([C@@H](C#N)C(=O)Cc2csc(-c3ccoc3)n2)n1 76018645 OOPYUSAAUMLZGF-AWEZNQCLSA-N 338.392 3.229 30 40 EGEB CC(=O)c1ccc(N2CC(=O)C(c3nc4ccccc4s3)=C2N)cc1 5009216 WXXTWUQRWNYSIA-UHFFFAOYSA-N 349.415 3.216 30 40 EGEB CCOc1ccccc1/C=N/NC(=S)Nc1ccc2cn[nH]c2c1 11592488 JUIHFTLZYUPKJQ-YBFXNURJSA-N 339.424 3.282 30 40 EGEB CC1=C/C(=N\S(=O)(=O)c2ccc(C)cc2)C(Cl)=C(Cl)C1=O 16779900 YBCJCOLJTQWSHN-GZTJUZNOSA-N 344.219 3.343 30 40 EGEB N#Cc1ccccc1NC(=O)CN1CCC(OCc2ccccc2)CC1 9112155 AFCPCHKIIKXAFR-UHFFFAOYSA-N 349.434 3.178 30 40 EGEB CN1C(=S)SC(C)(C)[C@@H]1/[N+]([O-])=C/c1c(F)cccc1Cl 70485 YRYKSVAWKIVTBE-XAXWUXFESA-N 332.853 3.477 30 40 EGEB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1cccc(C#N)c1 40494098 JRHQBNRIWCNLIS-AWEZNQCLSA-N 328.437 3.155 30 40 EGEB Cc1cc(NC(=O)COC(=O)c2ccc(C#N)cc2F)ccc1Cl 8336213 BVWQHDBWZLLAMS-UHFFFAOYSA-N 346.745 3.455 30 40 EGEB COc1ccc(/N=C\c2ccccc2I)cn1 9138753 HYMVNUJAKJBQHV-NVNXTCNLSA-N 338.148 3.445 30 40 EGEB N#CCCN(Cc1cccnc1)C(=O)c1cc(-c2ccccc2)on1 58364987 IHKNPCUVHMVTIJ-UHFFFAOYSA-N 332.363 3.293 30 40 EGEB O=C(O)COc1ccc(Cl)cc1/C=N/c1ccc([N+](=O)[O-])cc1 409048064 QWDNEXIRWSSMMJ-CAOOACKPSA-N 334.715 3.462 30 40 EGEB COc1ccc(/C=C/C(=O)c2ccc(O[C@@H](C)C(=O)O)cc2)cc1 13361739 BMABFOISCVTURH-YFTXEMMHSA-N 326.348 3.443 30 40 EGEB C=C1CCN(C(=O)Cn2c(-c3ccc(Cl)cc3)n[nH]c2=S)CC1 65535499 SVNGQYGDLXIOSB-UHFFFAOYSA-N 348.859 3.440 30 40 EGEB C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 6652622 JTBLNHYPBMTOGU-SNVBAGLBSA-N 329.287 3.012 30 40 EGEB COc1ccc(C(=O)CCC(=O)N(C)C2(C#N)CCC2)c(Cl)c1 97059076 YMYCAQVKIZVFHN-UHFFFAOYSA-N 334.803 3.216 30 40 EGEB C=CCOc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 30806583 IFWIAQWCTCGNHM-UHFFFAOYSA-N 338.407 3.340 30 40 EGEB N#Cc1ccc(S(=O)(=O)CCN2CCC[C@H]2c2cccs2)cc1 81512329 UQIIAARIQPYHCE-INIZCTEOSA-N 346.477 3.231 30 40 EGEB C=CCNC(=O)CN1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 69669236 CEAXQPABXKJQHU-MRXNPFEDSA-N 340.471 3.099 30 40 EGEB COC(=O)c1ccc2[nH]c3c(c2c1)CN(Cc1ccc(C#N)cc1)CC3 104723455 DWGGHNXHLFQTGE-UHFFFAOYSA-N 345.402 3.384 30 40 EGEB N#Cc1c(NC(=O)COC(=O)c2ccc(F)cc2)sc2c1CCC2 149787 WQZFOXJLYUBXBX-UHFFFAOYSA-N 344.367 3.043 30 40 EGEB aggregator N#CC1(c2ccccc2)CCN(Cc2nnc(C(F)(F)F)o2)CC1 1849065810 XZOOWQBYJLCYEV-UHFFFAOYSA-N 336.317 3.146 30 40 EGEB COc1ccccc1Oc1cc(C#N)c(C#N)cc1N1CCOCC1 556262 DPGDDKXSPJXERE-UHFFFAOYSA-N 335.363 3.067 30 40 EGEB COC(=O)c1ccc(/N=C/[C@H]2C(=O)N(c3ccccc3)N=C2C)cc1 100280093 UWSSLMUBXJCYBF-XNHPLOEXSA-N 335.363 3.214 30 40 EGEB COc1ccc(/C=N/n2cncn2)cc1COc1ccc(F)cc1F 500167 GGKJJDPGVRNOCA-ODCIPOBUSA-N 344.321 3.026 30 40 EGEB NC(=S)N/N=C/c1cc(-c2ccccc2)oc1N1CCCCC1 2765478 AYINQKMZCRTFKH-XDHOZWIPSA-N 328.441 3.104 30 40 EGEB CC1=NN(Cc2ccccc2)C(=O)[C@@H]1[C@H](c1ccccc1)C(C#N)C#N 271748 ZIGSJELRQGYINN-VQTJNVASSA-N 342.402 3.468 30 40 EGEB CCCS(=O)(=O)c1ccc(C(=O)[C@@H](C#N)c2nc(C)cs2)cc1 76764030 JFRYMAUQNRINGZ-CQSZACIVSA-N 348.449 3.125 30 40 EGEB C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(CC)cc1)CC(=O)N2 4944183 WOMPKAAAFVSESM-CYBMUJFWSA-N 341.436 3.085 30 40 EGEB N#Cc1c(CSc2nnnn2-c2ccccc2)cn2ccccc12 12978640 XZGDHBXTKGDLSS-UHFFFAOYSA-N 332.392 3.079 30 40 EGEB FC(F)(Cl)c1nnc2sc(C(F)(F)C(F)(F)F)nn12 71288471 SNWRNEJCLZJUQY-UHFFFAOYSA-N 328.600 3.128 30 40 EGEB Cc1nn(Cc2ccc(Br)c3cccnc23)c(N)c1C#N 96009620 SVPBFAAEEIPFEM-UHFFFAOYSA-N 342.200 3.004 30 40 EGEB COc1ccc(F)cc1CN1CC[C@H](CNc2ccc(C#N)cn2)C1 65531021 HTKHKQHLJOFKSV-OAHLLOKOSA-N 340.402 3.035 30 40 EGEB O=C(/C=C1\NCCc2cc3c(cc21)OCO3)c1cccc(Cl)c1 5428000 MEXOUKVHMNQUQK-DHDCSXOGSA-N 327.767 3.438 30 40 EGEB N#CC1(C(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)CCCC1 66687380 SSMVEYFUKXVCBO-HNNXBMFYSA-N 336.794 3.463 30 40 EGEB C#CCOC1CCN(C(=O)COc2cc(Cl)cc(Cl)c2)CC1 96430998 RKKAHPQAKHMVQI-UHFFFAOYSA-N 342.222 3.013 30 40 EGEB CC(C)[C@](C)(C#N)NC(=O)CN[C@H](C)c1cccc(C(F)(F)F)c1 7989810 YKRJOZLIAPBQDL-WBMJQRKESA-N 341.377 3.410 30 40 EGEB C[C@H](NC(=O)C1(C#N)CCCC1)c1nc(-c2cccnc2)cs1 71903945 DXKKTVZKPHVOMV-LBPRGKRZSA-N 326.425 3.466 30 40 EGEB COc1cc(NC(=O)N(CCC#N)C2CC2)ccc1Br 83921511 NKXFHKZRMJJCFO-UHFFFAOYSA-N 338.205 3.368 30 40 EGEB N#CC1(NC(=O)CSc2nncc3ccccc23)CCCCCC1 44157641 MJSYCUYDCASVSC-UHFFFAOYSA-N 340.452 3.455 30 40 EGEB CCOc1ccccc1/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 5466977 PULNMNHYBGDTHG-MHWRWJLKSA-N 330.300 3.348 30 40 EGEB CC(C)(NC(=O)Nc1cccc(C#N)c1)c1cn(-c2ccccc2)nn1 79072158 MIFACIXMVJWDAU-UHFFFAOYSA-N 346.394 3.196 30 40 EGEB COC(=O)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)F 100045301 ZIBMBDGKVCYGHR-UHFFFAOYSA-N 344.076 3.195 30 40 EGEB O/N=C1\C(c2ccccc2)=Nc2ncnn2[C@H]1c1ccc(Cl)cc1 103309215 ZZOFXINIAFEJDW-PZBNQXIHSA-N 337.770 3.486 30 40 EGEB O=C(C[n+]1ccc2c(c1)nnn2-c1ccccc1)c1ccc(Cl)cc1 1809723 NZFGENVBQCJTEX-UHFFFAOYSA-N 349.801 3.244 30 40 EGEB N#Cc1ccc(OCC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1 12628895 KLQRAYFJGCXSBN-SFHVURJKSA-N 346.390 3.177 30 40 EGEB C/C(CC(=O)C(F)(F)F)=N/C[C@H](C)/N=C(\C)CC(=O)C(F)(F)F 104327365 VNLNAOXDCUNKIA-NORZNFHISA-N 346.271 3.340 30 40 EGEB C[C@H]1CCCN(CCCCNC(=O)Nc2ccc(OCC#N)cc2)C1 45977185 YHNMGGBJABJUEF-INIZCTEOSA-N 344.459 3.223 30 40 EGEB O=S(=O)(NCC#Cc1ccccc1)c1cc(Cl)ccc1Cl 12916714 AUSJSGMAIFGDBQ-UHFFFAOYSA-N 340.231 3.323 30 40 EGEB N#Cc1ncn(CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)n1 14143127 XCIGPQSNOJPGOV-QURGRASLSA-N 331.339 3.204 30 40 EGEB C[C@@H](Sc1nnc2n1CCCCC2)C(=O)Nc1sccc1C#N 8155993 QESOKHAWHGXIBG-SNVBAGLBSA-N 347.469 3.057 30 40 EGEB Cc1nnc(NCc2ccc(N3CCC(C)CC3)nc2)c(C#N)c1C 71811092 XMTWVCORBIPGIV-UHFFFAOYSA-N 336.443 3.209 30 40 EGEB C[C@@H](/N=C(/NC[C@@H](O)c1ccccc1F)NC1CC1)c1cccs1 75583423 DWIDMQOEDUFYML-MLGOLLRUSA-N 347.459 3.379 30 40 EGEB C=CCOCc1cncc2c1CCN(C(=O)c1ccc3[nH]ccc3c1)C2 96189372 MXSDBNHOZRBRPT-UHFFFAOYSA-N 347.418 3.464 30 40 EGEB O=C1NC(=O)c2cc(-c3ccc(/C=N/Nc4ccccc4)o3)ccc21 5774150 KNQPVYVLQIDTPM-RGVLZGJSSA-N 331.331 3.276 30 40 EGEB C/C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)=N\O 100901860 IFLUESKQQILWQO-XDHOZWIPSA-N 325.393 3.328 30 40 EGEB COc1ccc(/C=N/c2ccc(S(N)(=O)=O)cc2)c2ccccc12 566852 QGYULOBIRFVFOW-UDWIEESQSA-N 340.404 3.246 30 40 EGEB C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)OS(C)(=O)=O 1652039 AOLCRWRFPJKYJX-OAHLLOKOSA-N 329.421 3.251 30 40 EGEB Cc1csc(C(C)(C)NCc2nnc(-c3ccc(C#N)cc3)o2)n1 78950102 BCMOYWWDENUBAK-UHFFFAOYSA-N 339.424 3.398 30 40 EGEB CC1=C(Cl)C(=O)C(Cl)=C(C)C1=NS(=O)(=O)c1ccccc1 3471615 ZVIJILAXYJYGBU-UHFFFAOYSA-N 344.219 3.425 30 40 EGEB COCc1cc(C)nc(SCC(=O)Nc2ccccc2C)c1C#N 4092073 BAOAXOCMULMZGT-UHFFFAOYSA-N 341.436 3.447 30 40 EGEB CC(C)(C)N/N=C/c1sc(N2CCOCC2)nc1-c1ccccc1 3275912 HFMMPYNXWILSAG-CPNJWEJPSA-N 344.484 3.369 30 40 EGEB C#CCN1C(=O)S/C(=C\c2ccc(OCC)cc2OCC)C1=O 13939690 RNGSWLAQGKKJQC-GDNBJRDFSA-N 331.393 3.154 30 40 EGEB N#CCOc1ccc(/C=C/C(=O)N2CC[C@H](Nc3ccccc3)C2)cc1 67279546 SQACDRVZOCXIGT-BLRBJFNZSA-N 347.418 3.315 30 40 EGEB COc1cccc2c1ccn2C/C(O)=N/c1nc(CC(C)C)n[nH]1 95474466 VIWSMECRCUHBPK-UHFFFAOYSA-N 327.388 3.255 30 40 EGEB CC1=C(C)C2=CC=C3C(O)=C(C[C@@H](C)O)C(=O)C(O)=C3[C@@]2(C)CC1=O 68564871 ZPXWCKGSWWRWCO-YBYGRFCBSA-N 342.391 3.146 30 40 EGEB N#Cc1ccnc(SCc2ccc(S(=O)(=O)C(F)F)cc2)c1 78754155 KZUFZGZVAKNGOE-UHFFFAOYSA-N 340.376 3.242 30 40 EGEB CC[C@@H](C)n1c(C#N)cc(N)c1N1CCN(c2ccc(F)cc2)CC1 225870724 RCYRBPYTGVLZCS-CQSZACIVSA-N 341.434 3.379 30 40 EGEB N#CCc1ccc(NC(=S)NCCCN2CCCCCC2)cc1 225399414 PPDOJYHLVPHUCH-UHFFFAOYSA-N 330.501 3.305 30 40 EGEB C=CCN(Cc1cccs1)C(=O)N[C@@H]1CCCc2c1cnn2C 47003615 YCAIPKISCSXDBF-OAHLLOKOSA-N 330.457 3.257 30 40 EGEB N#Cc1ccc(CN2CCC[C@H](COc3ccncc3)C2)c(F)c1 1776001163 BQPUIAHXYASARD-INIZCTEOSA-N 325.387 3.383 30 40 EGEB N#Cc1cc(Br)ccc1N1CCC(O)(C(F)(F)F)CC1 96008544 YSDQDOZQJLBGDZ-UHFFFAOYSA-N 349.150 3.214 30 40 EGEB CC1C2=C(CC(C)(C)CC2=O)N(CC(=O)O)C2=C1C(=O)CC(C)(C)C2 5416686 ILLUFHPNYFTWKD-UHFFFAOYSA-N 345.439 3.309 30 40 EGEB N#Cc1cc(Br)cnc1N1CC[C@@H](c2ccncc2)C1 599098890 ADTZSOCOZYGWKM-GFCCVEGCSA-N 329.201 3.105 30 40 EGEB O=[N+]([O-])c1ccc(/C=N/CC/N=C/c2ccc([N+](=O)[O-])cc2)cc1 100670403 SQKBKHPIUDTFCI-JYFOCSDGSA-N 326.312 3.041 30 40 EGEB N#Cc1cccnc1Nc1ccc2nc(N3CCOCC3)sc2c1 12562916 NJBIYESTTYORNZ-UHFFFAOYSA-N 337.408 3.143 30 40 EGEB C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1nncs1 84638178 JMSQFPCTAFSEAB-UHFFFAOYSA-N 329.303 3.374 30 40 EGEB N#Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CCOC2)cc1F 96433133 VXIOUFWAUOUFJJ-ZDUSSCGKSA-N 326.327 3.465 30 40 EGEB Cc1ccc(-n2nc(C#N)c(N3CC[C@H](c4ccccc4)C3)n2)cc1 256047239 LHENCDQKOFIYGJ-KRWDZBQOSA-N 329.407 3.441 30 40 EGEB C=C1CC[C@H]2[C@@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1C/C=C1/C=COC1=O 584567069 YIIRVUDGRKEWBV-OBPIRAGBSA-N 332.440 3.115 30 40 EGEB C[C@H](CNC(=O)N(C)Cc1ccc(C#N)cc1)Oc1ccccc1F 75316364 NBJIHEYQTWLOIV-CQSZACIVSA-N 341.386 3.306 30 40 EGEB COc1ccc(NC(=O)c2ccc(NC(=O)CC#N)cc2)cc1Cl 10027264 CIJHAXSPBFGXSM-UHFFFAOYSA-N 343.770 3.453 30 40 EGEB N#Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)cc1 4176864 GKCFDUXRUVGJOL-UHFFFAOYSA-N 339.420 3.240 30 40 EGEB N#Cc1cccc(C(=O)NCCCn2ccnc2-c2ccccc2)c1 85555004 PIQYBFRVRHRQHG-UHFFFAOYSA-N 330.391 3.242 30 40 EGEB CC1(C)C[C@H]2C[C@@](C)(CN2C[C@@H](O)COc2ccc(CC#N)cc2)C1 103272685 GPFWIZCRVPDJLU-WAOWUJCRSA-N 342.483 3.393 30 40 EGEB Cc1ccc(N2C[C@@H](C(=O)Nc3sccc3C#N)CC2=O)c(F)c1 31876654 YYZCRINFWWOEAV-LBPRGKRZSA-N 343.383 3.059 30 40 EGEB CCOC(=O)c1sc(N)c(C#N)c1CN(C)Cc1sccc1C 20803430 BXQDJROUGHGPLI-UHFFFAOYSA-N 349.481 3.381 30 40 EGEB N#Cc1ccccc1-c1ccc(CSc2nc(N)cc(N)n2)cc1 12528238 PTQCBLFXEGSOEG-UHFFFAOYSA-N 333.420 3.472 30 40 EGEB COc1ccc(-c2n[nH]c(=S)n2/N=C\c2ccccc2O)cc1 51376655 OHWQRVAHTCKZNF-YVLHZVERSA-N 326.381 3.204 30 40 EGEB COc1cccc(C(=O)NCc2ccc(C#N)cc2)c1OC(F)F 45408083 NPZQKOPKFZOJQT-UHFFFAOYSA-N 332.306 3.098 30 40 EGEB N#Cc1c(COC(=O)c2ccc3c(c2)CCC(=O)N3)cn2ccccc12 48301358 JTYQLVKIYVEYEZ-UHFFFAOYSA-N 345.358 3.053 30 40 EGEB CCOc1ccccc1-n1c(SCC#N)nc2ccccc2c1=O 3572700 BAWTUOHDHNUTLF-UHFFFAOYSA-N 337.404 3.400 30 40 EGEB CCC(=O)/N=C(\N=C(/O)CC)Nc1nc(C)c2ccc(C)cc2n1 4681199 SOHVZXYWFYEFBF-UHFFFAOYSA-N 327.388 3.318 30 40 EGEB N#Cc1cccc(NC(=O)CNc2ccc(Cl)c([N+](=O)[O-])c2)c1 6653216 YZEZGCTXALSUGW-UHFFFAOYSA-N 330.731 3.170 30 40 EGEB CNc1ccc(/C=N/Nc2ccc(Cl)c(C(=O)O)c2)cc1[N+](=O)[O-] 7778945 ZYICZZOTQHYVSA-QGMBQPNBSA-N 348.746 3.434 30 40 EGEB N#C[C@H]1CCCC[C@H]1OC(=O)c1ccc(Cn2cc(Cl)cn2)o1 71905066 NOTABXJACCDBJM-BXUZGUMPSA-N 333.775 3.417 30 40 EGEB N#CCc1ccc(N[C@@H](C(N)=O)c2ccc(Br)cc2)cc1 69536250 MPHHFLQBZBTEES-OAHLLOKOSA-N 344.212 3.154 30 40 EGEB CC(C)N1Cc2cccc(NS(=O)(=O)c3cccc(C#N)c3)c2C1 97377798 DJEYUGROKMLFEW-UHFFFAOYSA-N 341.436 3.083 30 40 EGEB C[C@@H](c1ccccc1)N(C)CC(=O)N(CCC#N)Cc1ccco1 49581337 IEZQKCRGZXVORB-INIZCTEOSA-N 325.412 3.215 30 40 EGEB N#Cc1cc(C(=O)N2CC3(CCOCC3)c3ccccc32)ccc1F 225462579 RLAKMQMJVLAAJX-UHFFFAOYSA-N 336.366 3.406 30 40 EGEB CC(=O)/C(=N/Nc1ccccc1)[C@@H](c1ccccc1)N1CCOCC1 96319114 AEFBZVQDUUIDJG-VZFXBBDVSA-N 337.423 3.117 30 40 EGEB N#Cc1ccc(C(F)(F)F)c(N2CCOCC3(CCOCC3)C2)c1 97096914 GGEJCQSPVNDWKS-UHFFFAOYSA-N 340.345 3.210 30 40 EGEB CC(C)(C#N)C(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 96473392 NLSKNNNTGZZONE-UHFFFAOYSA-N 339.370 3.244 30 40 EGEB N#Cc1c(C(F)(F)F)cc(Br)nc1Br 95932421 WJBDTCWVPPTFTQ-UHFFFAOYSA-N 329.901 3.497 30 40 EGEB C=CCCc1ccccc1N=C(O)N1C[C@@H](C)O[C@]2(CCOC2)C1 330033234 XYYKGFVLQZNUMH-DNVCBOLYSA-N 330.428 3.231 30 40 EGEB C=CCCC(=O)N1CCCC[C@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 585113642 DFDAXEAXVWIOQJ-KBPBESRZSA-N 346.393 3.135 30 40 EGEB C=C(C)CN(C)C(=O)NCc1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1 96496812 KPOYTSUONUNJDZ-CALCHBBNSA-N 345.487 3.013 30 40 EGEB N#Cc1c(N2C(=O)c3ccc(C(=O)O)cc3C2=O)sc2ccccc12 11565657 RBESZDRPKXHRRF-UHFFFAOYSA-N 348.339 3.272 30 40 EGEB N#Cc1cccc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)c1 6316369 GHEURPQCQKOPSK-UHFFFAOYSA-N 342.298 3.258 30 40 EGEB N#Cc1ccc(N2C[C@@H]3[C@H](CCN3Cc3ccc4[nH]ccc4c3)C2)nc1 1889205953 GJWWGSOFDHZUBA-UYAOXDASSA-N 343.434 3.145 30 40 EGEB C/C(O)=C1\C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccccc1Cl 101153017 SKFGOTGSZHLBBM-RBFDBLARSA-N 342.782 3.220 30 40 EGEB N#Cc1c(Cl)nsc1NC1CCN(Cc2ccccn2)CC1 52407661 PDRYUUZOXWQMSF-UHFFFAOYSA-N 333.848 3.140 30 40 EGEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc(Cl)cc1Cl)[C@H]1C=C[C@H]2C1 103926654 MOXSPELNDHURPV-BVYCLALLSA-N 335.190 3.134 30 40 EGEB COC(=O)CC[C@@H]1C(C)=CC(=O)[C@]2(F)[C@H]1CCC1=CC(=O)C=C[C@@]12C 104045741 YYGFGDBKJXEDKK-GIYDNNGJSA-N 346.398 3.275 30 40 EGEB C[C@@H](Sc1ccccc1Cl)C(=O)N[C@@]1(C#N)CCSC1 58393105 ADZOMCVGQZRATN-QMTHXVAHSA-N 326.874 3.336 30 40 EGEB COc1ccc(C(=O)O[C@H](C#N)Cc2ccc(F)cc2F)cc1OC 96013314 OFXGBAKYFOTORX-AWEZNQCLSA-N 347.317 3.274 30 40 EGEB N#Cc1ccc(COC(=O)CCc2cnn(-c3ccccc3)c2)cc1 16257448 YSALIBJQCUKXHD-UHFFFAOYSA-N 331.375 3.420 30 40 EGEB CCCC[C@@H](ON=C(C)C)C(=O)N1CCC[C@H](n2cc(C)cn2)C1 95468847 IJYYCFMQNGQBRJ-DLBZAZTESA-N 334.464 3.326 30 40 EGEB COCc1nc(C)c(C(=O)N[C@@H](C#N)c2ccccc2Cl)s1 95442909 VODFJIROUIAHSF-LBPRGKRZSA-N 335.816 3.246 30 40 EGEB N#CC1(C(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)CCCC1 89768019 FTZUMQMJSIRTSM-GFCCVEGCSA-N 327.211 3.227 30 40 EGEB C[C@@H](c1ccc(F)cc1)N(C)C(=O)CSc1cc(C#N)ccn1 77908129 DKQBXAVVJLERKF-LBPRGKRZSA-N 329.400 3.404 30 40 EGEB C[C@@](O)(C#C[C@](O)(c1ccccc1)C(F)(F)F)c1cccc(F)c1 2379383 HHUJOCNZCDDYGB-SJORKVTESA-N 338.300 3.487 30 40 EGEB C#CCn1c([C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)nc2ccccc21 8606655 NLZZCZMKRRPFRZ-OAHLLOKOSA-N 345.402 3.199 30 40 EGEB CCCCc1nc(CN2CCN(c3ccc(C#N)cn3)CC2)cs1 50071611 RIGZEIDSXJKRED-UHFFFAOYSA-N 341.484 3.075 30 40 EGEB COc1ccc(/C=N/n2cnc3c([nH]c4ccc(C)cc43)c2=O)cc1 325963 OQVKQWZVZHYYTQ-UFFVCSGVSA-N 332.363 3.077 30 40 EGEB CCOC(=O)[C@@H](C#N)[C@H]1C=Cc2ccccc2N1C(=O)c1ccccc1 1621987 GADFRXVPCPNYRH-PKOBYXMFSA-N 346.386 3.432 30 40 EGEB C[C@H](NC(=O)[C@@](F)(NC(F)(F)F)C(F)(F)F)c1ccccc1 25425911 WGNUDVQAHOGFJX-OIBJUYFYSA-N 332.219 3.201 30 40 EGEB COc1ccc(C(=O)OCc2ccc(C#N)cc2F)c(OC)c1OC 11151504 NSYHHWPHRSUOFB-UHFFFAOYSA-N 345.326 3.080 30 40 EGEB CC(C)(C)Oc1ccccc1C=NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 409408299 XLLIBLHUNBIDQV-MGBSGCIJSA-N 338.407 3.005 30 40 EGEB CCCN1C(=S)SC(C)(C)[C@H]1/[N+]([O-])=C/c1ccccc1OC 4785967 YCZWUJYTVGKREK-JVVDOCDTSA-N 338.498 3.473 30 40 EGEB Cc1nn(CC(C)C)c(C)c1CC(=O)N(CC#N)c1cccc(F)c1 69771398 ZSCDYLATSYZITJ-UHFFFAOYSA-N 342.418 3.394 30 40 EGEB Cc1ccc2cccc(NC(=O)N(CCC#N)CCCN(C)C)c2n1 84210030 YMPQHAQQGAJZMR-UHFFFAOYSA-N 339.443 3.243 30 40 EGEB Cc1cnc([C@H](NC(=O)NCc2ccc(C#N)cc2F)C2CC2)s1 74127803 CVCINXPKMHBGDZ-OAHLLOKOSA-N 344.415 3.413 30 40 EGEB C=C(C)CN(C)C(=O)N[C@@H](C)c1nc(-c2ccccc2OC)no1 95995071 PAFAYRAGXKCWAS-LBPRGKRZSA-N 330.388 3.024 30 40 EGEB CC(C)(C)CN(CC(=O)N[C@](C)(C#N)C1CC1)c1ccc(F)cc1 89643023 WXVGIMRYQCQODE-LJQANCHMSA-N 331.435 3.487 30 40 EGEB Cc1cccc([C@@H](C)NC(=O)C(=O)Nc2ccc(F)c(C#N)c2)c1C 96407050 OUSZLUQTTMWKCM-CYBMUJFWSA-N 339.370 3.130 30 40 EGEB COc1cccc(-n2nc(C#N)c(N3CC[C@H](c4ccccc4)C3)n2)c1 256047078 KFWZPYSXHXVYLP-INIZCTEOSA-N 345.406 3.141 30 40 EGEB C#CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CCSc2ccc(C)cc21 72270266 KZSOAPJFRYRWDG-RDJZCZTQSA-N 344.480 3.356 30 40 EGEB N#CCN1C(=O)COc2ccc(-c3csc(-c4ccccn4)n3)cc21 40602395 RMGHEFMYYIMOCB-UHFFFAOYSA-N 348.387 3.121 30 40 EGEB CC(C)NC(=O)[C@@H](C#N)C(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 102401459 MZUCKFFHRHGRJA-FZMZJTMJSA-N 340.345 3.432 30 40 EGEB CCn1ncc([C@@H](C#N)c2nc3ccccc3s2)c(Cl)c1=O 3268586 PSTOJSJIPDIVRN-SECBINFHSA-N 330.800 3.182 30 40 EGEB C/C(=C\C(=O)c1c(O)c2ccccc2n(C)c1=O)Nc1ccc(N)cc1 100260794 WEYVVQROXJZSQG-VAWYXSNFSA-N 349.390 3.025 30 40 EGEB N/C(=N/OCc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 29465370 UIXXRIGZMIITFO-UHFFFAOYSA-N 328.759 3.227 30 40 EGEB C[C@H](c1ccc(F)cc1)N(C)C[C@@H](O)COc1ccc(C#N)cc1 25302264 GXQSMQDVIZMXGE-RDTXWAMCSA-N 328.387 3.130 30 40 EGEB C[C@H](CN(C)C)CN1c2ccccc2[S@@](=O)c2ccc(C#N)cc21 65739489 KCPHNCFJFKSBMD-SHACYNPGSA-N 339.464 3.374 30 40 EGEB in-vitro Cc1cc(C(=O)Nc2cc(Cl)ccc2C#N)c2cnn(C)c2n1 36616314 HBLWQEBHOPIDGF-UHFFFAOYSA-N 325.759 3.054 30 40 EGEB C=CCc1cc(C(=O)NCCOCc2ccccc2)ccc1OC 224126455 SCAOVQONWURRCF-UHFFFAOYSA-N 325.408 3.370 30 40 EGEB N#CCCN(CCC#N)C(=O)COc1cccc(Cl)c1Cl 32852055 XFWBHAQFVMHMQI-UHFFFAOYSA-N 326.183 3.028 30 40 EGEB Cc1cccc(OC[C@H]2CCCN(C(=O)c3ccc(C#N)cc3)C2)n1 1775969274 IDAPZRWQDVVPEI-KRWDZBQOSA-N 335.407 3.193 30 40 EGEB COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(F)c(F)c(F)c2)cc1 100819227 WYPYSFRJGXDFKC-LBPRGKRZSA-N 348.280 3.074 30 40 EGEB C=CCn1c2c(c(=O)[nH]c1=S)CN([C@H](C)c1ccccc1)CN2 20567346 SYGPPEAHRMCJLN-GFCCVEGCSA-N 328.441 3.038 30 40 EGEB Cc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(Cc3ccccc3)c2)c1 3251269 JFXZTTKJNHDFIQ-UHFFFAOYSA-N 344.370 3.013 30 40 EGEB N#Cc1ccc(-c2cccc(CNc3nccn4cnnc34)c2)s1 95404352 AYKGLDYONGNLGZ-UHFFFAOYSA-N 332.392 3.337 30 40 EGEB Cc1cccc(C(=O)OCc2c(C#N)c(C)nn2-c2ccccc2)c1N 48273697 SQFDSYXHOJGSRD-UHFFFAOYSA-N 346.390 3.300 30 40 EGEB C=CC(C)(C)c1c(O)cc(O)c2c(=O)c3ccc(O)c(O)c3oc12 15121021 GXZSMOZDSUSQHH-UHFFFAOYSA-N 328.320 3.232 30 40 EGEB biogenic COCc1nccc([C@H]2CCCN(Cc3ccc(C#N)cc3F)C2)n1 89420462 LGJBUSJOEUUJPV-INIZCTEOSA-N 340.402 3.013 30 40 EGEB N#Cc1cccc(NC(=O)NCCNc2ncccc2C(F)(F)F)c1 47338238 APSBITVSAMPFLD-UHFFFAOYSA-N 349.316 3.206 30 40 EGEB CC(C)Oc1ccc(/C=N/CC[C@@]2(O)C[C@@H](C)N(C)C[C@@H]2C)cc1 13774707 CLJGDQRPOPPOBX-QFKLZXOKSA-N 332.488 3.374 30 40 EGEB C=CCNC(=O)c1ccccc1NC(=O)COc1ccc(C)cc1C 13995679 QIRFAPRSQMEVKJ-UHFFFAOYSA-N 338.407 3.237 30 40 EGEB CCn1ccnc1SCC(=O)Nc1sc2c(c1C#N)CCCC2 11889431 NHQKKICKLHSORQ-UHFFFAOYSA-N 346.481 3.446 30 40 EGEB Cc1cc(C)cc(NC(=O)[C@H]2CCCN2/C=C/C(=O)C(F)(F)F)c1 4119711 SMPFSTYFGAMXRA-HZRUHFOJSA-N 340.345 3.351 30 40 EGEB COc1ccc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)cc1-c1ccccc1 51342726 DVODOYJCAHEVNE-UHFFFAOYSA-N 343.346 3.081 30 40 EGEB CC(C)=C[C@@H]1[C@H](C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)C1(C)C 41507169 YABIVITXGIMWIO-IIAWOOMASA-N 326.444 3.419 30 40 EGEB C=CCc1cccc2cc(C(=O)OCCCN(CC)CC)c(=O)oc12 1653209 YYJNFFXHYSBCHW-UHFFFAOYSA-N 343.423 3.410 30 40 EGEB Cn1cc(CC(=O)[C@H](C#N)C(=O)Nc2ccccc2F)c2ccccc21 103696795 FFURSBUIKLBFGV-HNNXBMFYSA-N 349.365 3.207 30 40 EGEB C/C(=N\NS(=O)(=O)c1ccccc1)c1ccc2ccccc2c1O 102402539 JZWYHOGBERYDEI-CPNJWEJPSA-N 340.404 3.248 30 40 EGEB O=C(O)COc1ccc(/C=N/c2ccc3c(c2)OCO3)cc1Cl 3388177 KEVYIQOFOQJNOH-CNHKJKLMSA-N 333.727 3.283 30 40 EGEB CN(C)c1ccc(/C(N)=N/OCc2ccc(F)c3cccnc23)cc1 60454224 OEIADUUHORGQRB-UHFFFAOYSA-N 338.386 3.277 30 40 EGEB O=C1N/C(=N/c2ccccc2)S/C1=C/c1ccc(O)c([N+](=O)[O-])c1 13546229 HSPMPDLWEZPKRX-NTEUORMPSA-N 341.348 3.192 30 40 EGEB COc1cc(Cl)cc2c1OCC(=O)N(c1cccc(C#N)c1)C2 65184531 ZHZPPPKUIJPTPQ-UHFFFAOYSA-N 328.755 3.146 30 40 EGEB Cc1cc(C)c(C#N)c(SC[C@H](O)COCc2ccccc2)n1 5353245 QBYMKHIEFYOMEC-MRXNPFEDSA-N 328.437 3.240 30 40 EGEB COc1ccccc1/C=C/C=N/N1C(=O)NC2(CCC(C)CC2)C1=O 6687326 MVYJMNHEKGGRLV-AMYLNKINSA-N 341.411 3.195 30 40 EGEB CN(CC(=O)N(C)C1(C#N)CCCCC1)Cc1ccc(Cl)cc1 14930102 LSVAYCGVQWHEEN-UHFFFAOYSA-N 333.863 3.457 30 40 EGEB CC(C)[C@@H](NC(=O)c1cccs1)C(=O)OCc1ccc(C#N)cc1 7458042 VNLBOEPVRUVGGT-MRXNPFEDSA-N 342.420 3.118 30 40 EGEB CCC(=O)N1CCC[C@H]1[C@@H]1CCCN1Cc1ccc(C#N)cc1F 69668688 CBTMBJVRYJFESN-ROUUACIJSA-N 329.419 3.063 30 40 EGEB Cc1nc(C(=O)N2CCC[C@H](c3nc(C)c(C)s3)C2)ccc1C#N 72297371 VTEVLCXMPHKFTF-HNNXBMFYSA-N 340.452 3.355 30 40 EGEB COc1cccc(SC/C(O)=N/c2nc(-c3ccco3)n[nH]2)c1 75138031 TUIQZMQIJBKGQN-UHFFFAOYSA-N 330.369 3.454 30 40 EGEB CCc1c(C)sc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)O)c1C#N 35898130 MUAPAZVQVRZWTE-PKIAMQTDSA-N 344.436 3.342 30 40 EGEB O=c1[nH]c(N/N=C/c2ccc(Br)cc2)nc2ccccc12 39370586 KKSSROAVJUJDOQ-RQZCQDPDSA-N 343.184 3.132 30 40 EGEB Cc1csc([C@@H](C#N)C(=O)CCc2ccc3c(c2)OCCCO3)n1 79101911 PJOALGPZUHHXFB-AWEZNQCLSA-N 342.420 3.422 30 40 EGEB CC(C)(C)c1nnc(S[C@@H]2CCN(c3sccc3C#N)C2=O)o1 83091957 ZCXLZNRSFYJMIM-SNVBAGLBSA-N 348.453 3.198 30 40 EGEB Cc1nsc(N2CCN(c3ccc(C#N)cc3Cl)CC2)c1C#N 588034663 HAACCDHUZOSKFD-UHFFFAOYSA-N 343.843 3.175 30 40 EGEB N#Cc1ncccc1N1CCN(c2ccc(Br)cc2)CC1 596456953 WTDHGPWUCSDZMV-UHFFFAOYSA-N 343.228 3.042 30 40 EGEB C[C@@H]1C[C@H]1c1ccc(CN(C)S(=O)(=O)c2ccc(C#N)cc2)o1 22246407 JWPAPAPCJDVGQK-MLGOLLRUSA-N 330.409 3.095 30 40 EGEB C[C@@H](CC#N)N(C)C(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 103442858 MQKUYDHPDYBJRN-JTQLQIEISA-N 347.216 3.213 30 40 EGEB C[C@@H](c1nc2ccccc2s1)N1CCN(c2ncccc2C#N)CC1 26759113 MOVHVERATAQDLH-AWEZNQCLSA-N 349.463 3.446 30 40 EGEB C[C@@H]1CCC[C@H](N2CNC(=Nc3nc4ccccc4o3)NC2)[C@@H]1C 9015936 LQXFYMSTKVYQHS-NFAWXSAZSA-N 327.432 3.050 30 40 EGEB N#Cc1c(C(F)(F)F)cc(-c2ccco2)nc1SCC(=O)O 35655300 DJVOEHAQMVXSGV-UHFFFAOYSA-N 328.271 3.409 30 40 EGEB CCCCCCCc1nc2nc(C)c(Br)c(=O)n2[nH]1 103707014 ITIVFJIAYUOCOX-UHFFFAOYSA-N 327.226 3.001 30 40 EGEB CC(=O)Nc1ccc(SCC(=O)Nc2sccc2C#N)cc1 3417570 FHZKLBVKONDVNU-UHFFFAOYSA-N 331.422 3.309 30 40 EGEB N#Cc1ccc(Oc2nc(O)c3cnn(-c4ccccc4)c3n2)cc1 71913835 GNOIPQDNOVEMQP-UHFFFAOYSA-N 329.319 3.185 30 40 EGEB N#Cc1c(N)nc2c(c1-c1cc3c(cc1Cl)OCO3)CCCC2 33429364 IRLADKOISCDDJH-UHFFFAOYSA-N 327.771 3.463 30 40 EGEB C[C@@H](c1ccc(F)cc1)N(C)C[C@H](O)COc1ccc(C#N)cc1 40013636 GXQSMQDVIZMXGE-KSSFIOAISA-N 328.387 3.130 30 40 EGEB C=C(C)[C@H]1CCC2=Cc3c(cc(C)n(CCC(=O)O)c3=O)O[C@H]2C1 257325059 WRGMHXBKOHEZAK-BBRMVZONSA-N 329.396 3.152 30 40 EGEB NC1=N/C(=N\Nc2nc(-c3ccc(F)cc3)cs2)c2ccccc21 100461021 NJWXVZWFKPLZJI-UHFFFAOYSA-N 337.383 3.442 30 40 EGEB Cc1ccc2c(c1)N(C(=O)Cn1cc(C#N)c3ccccc31)CCO2 51319102 OFDRIDUYJMPGRR-UHFFFAOYSA-N 331.375 3.247 30 40 EGEB C[C@H](Cc1cccs1)/C(O)=N/S(=O)(=O)Cc1ccc(C#N)cc1 76759544 NBTVCTLPBHXAMY-GFCCVEGCSA-N 348.449 3.285 30 40 EGEB Cc1csc([C@H](C#N)C(=O)c2cccc(Nc3cnccn3)c2)n1 97034275 SSPNCJSIJANOEA-CQSZACIVSA-N 335.392 3.475 30 40 EGEB CC(C)(C)c1ccc([C@@H]2NC(=O)C(O)=C2C(=O)c2ccco2)cc1 4901678 SQUMRPHYANMTNW-HNNXBMFYSA-N 325.364 3.443 30 40 EGEB COc1ccccc1OCC(=O)Nc1nc(C)c(SCC#N)s1 44789568 WIUZTEJADBFYKL-UHFFFAOYSA-N 349.437 3.093 30 40 EGEB COc1ccc(C)cc1CN(C)CCC(=O)Nc1sccc1C#N 8980764 UHDBTABPHCDFFK-UHFFFAOYSA-N 343.452 3.397 30 40 EGEB COc1c(Cl)cc(NCC(=O)N[C@@](C)(C#N)C(C)C)cc1Cl 58218681 SCKPNIUCKIRUHB-HNNXBMFYSA-N 344.242 3.468 30 40 EGEB COc1ccc(CNC(=O)CSCc2ccc(C#N)cc2)cc1 9154424 AXBSVCSEHQMUPD-UHFFFAOYSA-N 326.421 3.116 30 40 EGEB COC(=O)c1ccc2c(Oc3ccc(C#N)cc3OC)ncnc2c1 65501575 XKYZCCOICDZRQI-UHFFFAOYSA-N 335.319 3.089 30 40 EGEB N#Cc1ccsc1NC(=O)CN(Cc1ccco1)Cc1ccco1 7726396 CUYYTWGNIIMOBJ-UHFFFAOYSA-N 341.392 3.447 30 40 EGEB C=CCN(CC=C)Cc1c(C)nc2c(OC)cc(OC)cc2c1O 8717250 UUUMPRLLAAVINK-UHFFFAOYSA-N 328.412 3.440 30 40 EGEB CC/N=C(\NCc1ccccn1)NCc1nc(C(C)(C)C)cs1 95405746 KVQASEWVHYTHLD-UHFFFAOYSA-N 331.489 3.091 30 40 EGEB CN(Cc1cc(Cl)cn1C)C(=O)NCc1cc(C#N)ccc1F 89755022 JVQNBALPUNWOBC-UHFFFAOYSA-N 334.782 3.031 30 40 EGEB CC/N=C1/S/C(=C\c2cc3c(cc2Cl)OCO3)C(=O)N1CC 35333041 LHANVZLMGICYAJ-SOPGMWILSA-N 338.816 3.381 30 40 EGEB COc1cc(C(=O)/C=C/c2ccccc2F)c(OC)c2c1OCO2 72408119 LXJGTBXQMDHIJM-BQYQJAHWSA-N 330.311 3.468 30 40 EGEB COc1cccc(C(=O)N(C)C)c1OCC#Cc1ccc(Cl)cc1 85260782 YZCPTYXFXRUTJJ-UHFFFAOYSA-N 343.810 3.481 30 40 EGEB C=CCO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1oc2ccccc2c1C 96041547 IQUQRKCQIIPSMA-KVSKMBFKSA-N 341.407 3.316 30 40 EGEB N#Cc1nc(NC[C@H](O)c2ccc(OC(F)F)cc2)ccc1Cl 96409548 XGDOGMHXMLXDAT-ZDUSSCGKSA-N 339.729 3.354 30 40 EGEB Cc1cc(F)ccc1CCNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 279936962 GCHIIGOWYNOMRJ-GOSISDBHSA-N 335.382 3.047 30 40 EGEB C[C@H](NC(=O)c1cccc(C#N)c1)c1nc(-c2ccc(F)cc2)no1 58305148 JNFWBISNSZXRNW-NSHDSACASA-N 336.326 3.238 30 40 EGEB CCCN1CCN(c2cc(C)c(C#N)c3nc4ccccc4n23)CC1 12629208 PPSOLDSQUKHSPT-UHFFFAOYSA-N 333.439 3.200 30 40 EGEB CC(=O)/C(=N\Nc1cc(Cl)ccc1Cl)C(=O)C(F)(F)F 13408114 MKGQRRXMQANXOD-GIJQJNRQSA-N 327.089 3.482 30 40 EGEB CCOC(=O)c1ccc(/N=C/c2ccc(N3CCOCC3)cc2)cc1 50793 WHIYHGTZKASRCP-RCCKNPSSSA-N 338.407 3.451 30 40 EGEB CCOc1cc(/C=N/c2ccc(Cl)cc2)ccc1OCC(N)=O 100957088 VMPPDXUQIOXTEP-KEBDBYFISA-N 332.787 3.353 30 40 EGEB N#Cc1ccc(OCCN2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 12284480 KHFFLUACWBXLNA-GOSISDBHSA-N 349.434 3.288 30 40 EGEB N#Cc1cccc(C(=O)Nc2ccc(C(=O)Nc3cccnc3)cc2)c1 24897416 IKUUZDAKRFJQTG-UHFFFAOYSA-N 342.358 3.458 30 40 EGEB COC(=O)C1=C(C)Nc2sc(C#N)c(N)c2[C@H]1c1cccs1 9303705 LLJQEDQKUZLXAI-NSHDSACASA-N 331.422 3.268 30 40 EGEB Cc1cc(NC(=O)CCCC(=O)c2ccc(F)cc2)n(CCC#N)n1 58328985 JDBZMBOGSQIUOW-UHFFFAOYSA-N 342.374 3.236 30 40 EGEB N#Cc1c(NCc2cccc(Cn3ccnc3)c2)nc2ccccn12 97082378 FRWZOSWAURCABI-UHFFFAOYSA-N 328.379 3.063 30 40 EGEB N#Cc1ccc(CN2CCCN(C(=O)Nc3ccccc3)CC2)cc1 9389916 NGGGILTWINGXQC-UHFFFAOYSA-N 334.423 3.298 30 40 EGEB CSc1nc(NC[C@@H]2CCCO2)c(C#N)c(-c2ccccc2)n1 15859784 BFFPCYSHRWQVAH-ZDUSSCGKSA-N 326.425 3.328 30 40 EGEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccnc1 19867142 IGXCTQSBKPSGCN-QGZVFWFLSA-N 326.396 3.003 30 40 EGEB N#Cc1ccc(Nc2cccc(C(=O)N[C@@]3(C#N)CCSC3)c2)cc1 96414368 MJWQOKNJEKFJJS-LJQANCHMSA-N 348.431 3.431 30 40 EGEB CCc1noc(CC)c1CC(=O)N[C@H](C#N)c1ccc(F)cc1F 96461576 JQEFHWFXVIDOAK-OAHLLOKOSA-N 333.338 3.001 30 40 EGEB CN1/C(=C\c2cccc3[nH]ccc23)C(=O)c2ccccc2S1(=O)=O 9575811 FHFLAQOYGGVIQY-WJDWOHSUSA-N 338.388 3.026 30 40 EGEB CS(=O)(=O)c1ccc(C(=O)/C=C/c2cccnc2Cl)cc1F 83989713 QDPIKWSFELLKSU-GQCTYLIASA-N 339.775 3.174 30 40 EGEB CC(C)(C#N)CCCNc1ccccc1C(=O)N1CCC[C@H]1CO 95417991 RXXLSVYYRLXRMF-HNNXBMFYSA-N 329.444 3.025 30 40 EGEB C=CCN1C(=O)N/C(=C/c2ccc(-c3ccc(C(C)=O)cc3)o2)C1=O 409141963 KISBXCGJFHJPDS-LFIBNONCSA-N 336.347 3.228 30 40 EGEB C=CCNC(=O)c1ccccc1OCc1nc(-c2ccccc2)no1 33012856 NTOQTXUIESAHFD-UHFFFAOYSA-N 335.363 3.231 30 40 EGEB COc1ccc(/C=N/N2C(=O)C[C@@H]2c2ccccc2)c(OC)c1OC 71283872 NRTMAAZPSDRVNR-RVZJCZPVSA-N 340.379 3.020 30 40 EGEB COc1ccccc1-c1nc(C#N)c(NCCN2CCCCC2)o1 585152361 UBGAWKHYWLADPE-UHFFFAOYSA-N 326.400 3.120 30 40 EGEB COc1cccc2ncnc(N3CCC[C@@](C#N)(c4ccccn4)C3)c12 606444975 RSTDWHPPQXWERO-FQEVSTJZSA-N 345.406 3.095 30 40 EGEB N#Cc1cccc(NC(=O)COC(=O)c2cccc(C(F)(F)F)c2)c1 5112476 PTKBLDDOTGKFNW-UHFFFAOYSA-N 348.280 3.373 30 40 EGEB COc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc2c1OCO2 7745555 IVQHJVPBXTXCBJ-DUXPYHPUSA-N 340.331 3.091 30 40 EGEB CC(C)S(=O)(=O)c1ccc(C(=O)Nc2sccc2C#N)cc1 10253678 NZIYAAFLDMELHO-UHFFFAOYSA-N 334.422 3.054 30 40 EGEB C/C(=N\Nc1ccccc1)c1ccc(N2CCN(C)CC2)c(F)c1 12362626 FVYCTAFDDSVLQL-RCCKNPSSSA-N 326.419 3.414 30 40 EGEB N#C[C@@H](NC(=O)c1cccc(Nc2cnccn2)c1)c1ccccc1F 72291652 UBDNATBKNQBJOI-QGZVFWFLSA-N 347.353 3.354 30 40 EGEB CCOc1ccccc1/C=C/C(=O)c1ccccc1NS(C)(=O)=O 58161099 WQDKFJBRDITUCE-OUKQBFOZSA-N 345.420 3.353 30 40 EGEB C=CCN(CCc1ccccc1)C(=O)CCc1nc(C(C)C)no1 58267348 UKXXOTKORIKMRN-UHFFFAOYSA-N 327.428 3.383 30 40 EGEB O=C1/C(=C/c2ccccc2)CCC[C@@H]1[C@]1(O)C(=O)Nc2ccccc21 55175160 KUCATJLZZZMPTP-ZSCJNGCASA-N 333.387 3.279 30 40 EGEB COc1c(S(=O)(=O)c2ccc(C#N)cc2)cnc2ccc(F)cc12 72332522 PXIXZICPQJHNAG-UHFFFAOYSA-N 342.351 3.087 30 40 EGEB N#CCOc1ccccc1/C=N\NC(F)(F)C(F)(F)C(F)(F)F 409044673 HGNDSGZZHZBXPU-YXSASFKJSA-N 343.202 3.303 30 40 EGEB Cc1nc(C(C)(C)NCC(=O)Nc2oc(C)c(C)c2C#N)sc1C 95432220 BBQSOYGJKPYHGH-UHFFFAOYSA-N 346.456 3.305 30 40 EGEB CC(C)(C)OC(=O)Nc1cccc(Cn2cccc(C#N)c2=O)c1 95986684 SSZDTFRKXXNHLU-UHFFFAOYSA-N 325.368 3.115 30 40 EGEB C/N=C1/S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1C 408930480 XPEKBFGWPBJEQV-ASTXAYLFSA-N 343.364 3.387 30 40 EGEB CC(C)(C)OC(=O)N1CCC(NC(=O)Nc2ccc(C#N)cc2)CC1 67801120 RYHSILWQLMBFND-UHFFFAOYSA-N 344.415 3.079 30 40 EGEB Cc1ccnc(Oc2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)n1 2362797638 ZIJVOHQHJHQHJY-UHFFFAOYSA-N 330.168 3.016 30 40 EGEB Nc1ccc2c(n1)NCC/C2=N\Nc1ccc(Br)cc1 35977697 ZMQKJKSULWHPTH-UDWIEESQSA-N 332.205 3.058 30 40 EGEB C=C1CC[C@H]2[C@@](C)(CCC[C@@]2(C)C(=O)O)[C@@H]1CCC1=CC(=O)O[C@@H]1O 95912108 GZTUAPFQPZVTGA-YOJMASELSA-N 348.439 3.432 30 40 EGEB biogenic,in-vitro C#CCn1/c(=N/C(=O)c2cccc(F)c2)sc2cccc(F)c21 100877830 DFQPMZRHIIQQDP-JZJYNLBNSA-N 328.343 3.355 30 40 EGEB C=CCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(C)cc1 13995746 TYHBZMKGNQVXAS-OAHLLOKOSA-N 338.407 3.317 30 40 EGEB CCOc1ccc([C@H]2C3=C(C[C@@H](C)CC3=O)Nc3nc(C)nn32)cc1 14607484 XUEXNWVQZVZXDY-ZMZPIMSZSA-N 338.411 3.253 30 40 EGEB Cc1ccc(OCCCC(=O)O/N=C(\N)c2ccccc2C)cc1 8429712 ZHMNIPAJLBNASN-UHFFFAOYSA-N 326.396 3.326 30 40 EGEB CCOc1c(/C=C2/NC(=S)SC2=O)cc(Cl)cc1OC 6464257 IIDPWGNIJBPESM-WEVVVXLNSA-N 329.830 3.236 30 40 EGEB CCOc1cc2c(cc1CNC(=O)c1cccc(C#N)c1)O[C@H](C)C2 5406805 IFFZDLFDMOWUNB-CYBMUJFWSA-N 336.391 3.210 30 40 EGEB Cc1cc(C)n(-c2nnc(C)n2/N=C/c2cc(Cl)ccc2F)n1 429958 FIHVAHHMJZWLAS-QGMBQPNBSA-N 332.770 3.064 30 40 EGEB COc1cc(C#N)ccc1OCC(=O)N1CCC[C@H]1c1ccsc1 47166127 XBZCBBDVWAHYDN-HNNXBMFYSA-N 342.420 3.371 30 40 EGEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@H]2c1ccc(O)cc1 12347448 XJAUHDDFCOIMSM-ZDUSSCGKSA-N 325.368 3.022 30 40 EGEB N#CC1(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CCCCC1 57381660 ZQCJJMKYYPBQRR-JXMROGBWSA-N 337.467 3.318 30 40 EGEB C=CCn1c(=O)c(C(=O)Nc2cc(C)cc(C)n2)c(O)c2ccccc21 100671369 FUVGGVPCCCMCAB-UHFFFAOYSA-N 349.390 3.157 30 40 EGEB CCCCS[C@H](C)/C(O)=N/S(=O)(=O)c1cccc(C#N)c1 58246469 DPNAQEZUXHZBNO-LLVKDONJSA-N 326.443 3.125 30 40 EGEB CCn1cc(C(=O)[C@H](C#N)c2nnc3n2CCCCC3)c2ccccc21 58267328 VPDKJIJXEDHZCE-HNNXBMFYSA-N 347.422 3.469 30 40 EGEB C=CCOc1ccc(C(=O)OCc2cn3ccccc3n2)cc1OC 58450994 UIYIRBZOJTWVPV-UHFFFAOYSA-N 338.363 3.265 30 40 EGEB COc1cccc(NC(=O)[C@@]2(C#N)Cc3ccccc3N3CCC[C@@H]32)c1 3335959 ZNKAYEUCVTXDGU-TZIWHRDSSA-N 347.418 3.369 30 40 EGEB CCCCCNc1nc(N2CCCC2)c2c(c1C#N)CCN(C)C2 13116178 CUDAUFWNWXEKQT-UHFFFAOYSA-N 327.476 3.143 30 40 EGEB N#Cc1ccsc1C(=O)N(CCCO)Cc1cccc(Cl)c1 95441460 NTODSMFAMJMRFK-UHFFFAOYSA-N 334.828 3.298 30 40 EGEB COc1cc(OC)cc(C(=O)Nc2ncccc2OCCCC#N)c1 69328128 YQIVAYKGCKEFRF-UHFFFAOYSA-N 341.367 3.034 30 40 EGEB C[C@@H]1CC[C@]2(C)[C@H](C[C@@H](O)[C@H](O)[C@]23CO3)[C@@]1(C)CCc1ccoc1 31160077 DORFFLQTHPKFDY-LHSFGFEGSA-N 334.456 3.165 30 40 EGEB biogenic,in-vitro COCCN(CCC#N)C(=O)Nc1ccc(Br)c(C)c1 96456329 VXSDOKWBXODDTJ-UHFFFAOYSA-N 340.221 3.152 30 40 EGEB COc1cccc(F)c1[C@@H](C)NC(=O)NCc1ccc(C#N)cc1F 76088678 ZOYYUCBDNNIEHO-LLVKDONJSA-N 345.349 3.405 30 40 EGEB CCCn1c(=O)c(C(=O)Nc2ccccc2C#N)c(O)c2ccccc21 100673113 ZWMCZMUXGLHSKJ-UHFFFAOYSA-N 347.374 3.241 30 40 EGEB N#Cc1ccsc1NC(=O)CCN1CCC[C@H](C(F)(F)F)C1 21472280 QAUDXGNAKSYEDN-NSHDSACASA-N 331.363 3.223 30 40 EGEB CC(C)[C@@H]1Cc2c(C#N)c(N)n(-c3ccc(Cl)cc3)c(=O)c2CO1 6759149 BHLZQGXUFGONGB-INIZCTEOSA-N 343.814 3.042 30 40 EGEB C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ncccc1Br 72298209 LDEVYIJFUBJPCM-JTQLQIEISA-N 346.184 3.122 30 40 EGEB Cc1c(C#N)c(NC(=O)CN2CCCC2)n(Cc2cccs2)c1C 8142201 KLLWXOKRKGHPFL-UHFFFAOYSA-N 342.468 3.121 30 40 EGEB N#CCCN(Cc1cccnc1)C(=O)CSc1ccc(F)c(F)c1 69374764 ABSNJJJSYIVONR-UHFFFAOYSA-N 347.390 3.394 30 40 EGEB CCCn1nccc1NC(=O)[C@@H](C#N)c1nc2ccccc2s1 69813992 GCQLVAWPHHYPSL-LLVKDONJSA-N 325.397 3.149 30 40 EGEB Fc1ccc(Br)cc1/C=N/Nc1cc(Cl)ncn1 95455288 LOWVODLDQNVYJB-YAXRCOADSA-N 329.560 3.478 30 40 EGEB C=CCN1C(=O)CCC[C@@]12CCCN(C(=O)Nc1ccccc1)C2 96229936 FDCRLMTUOZWABE-IBGZPJMESA-N 327.428 3.252 30 40 EGEB CC1(C)C(/C(O)=N/S(=O)(=O)Cc2ccc(Cl)nc2)C1(C)C 96446427 VRDIVLUSYRXSAW-UHFFFAOYSA-N 330.837 3.204 30 40 EGEB COc1ccc(Cl)c2c1NC(=O)/C2=N\Nc1ccccc1[N+](=O)[O-] 16922530 JEQZCGSLHHODOY-UHFFFAOYSA-N 346.730 3.025 30 40 EGEB O=C1CN(/N=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N1 17021276 HIQONTNPQNNMST-FMQZQXMHSA-N 338.150 3.139 30 40 EGEB CCn1c(=O)c(/C=N/c2ccc(C(=O)O)cc2)c(O)c2ccccc21 6176656 MWTNNCZVISROLU-RGVLZGJSSA-N 336.347 3.176 30 40 EGEB C[C@@H](C(=O)Nc1ccccc1C#N)N(C)CCOc1ccccc1F 10227797 VJVDDICVOSNSFF-AWEZNQCLSA-N 341.386 3.035 30 40 EGEB Fc1c(F)c(F)c(/C=N/NC(=S)Nc2cccnc2)c(F)c1F 13686034 REGKXXVIYSXDLG-DENHBWNVSA-N 346.284 3.098 30 40 EGEB Cc1cccnc1OCC1CCN(C(=O)c2ccc(C#N)cc2)CC1 1775969204 BGTBMENBPPOUFN-UHFFFAOYSA-N 335.407 3.193 30 40 EGEB CC(=O)C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1cccc(F)c1 261609 QSYYCZZOFYLRLY-SFHVURJKSA-N 339.366 3.353 30 40 EGEB CN(Cc1nnc2ccccn12)c1ccc(C#N)c(C(F)(F)F)c1 78679988 MDLWKBOXRONQNX-UHFFFAOYSA-N 331.301 3.256 30 40 EGEB CN1CC[C@H](CNc2nccnc2C#N)[C@H]1c1ccc(Cl)c(F)c1 108487701 NDCYBQIRXPAXDO-MLGOLLRUSA-N 345.809 3.246 30 40 EGEB Cc1cc(NC(=O)[C@@H](C)SCc2ccccc2)n(CCC#N)n1 58193779 YIDWYYSEOKKZAY-CQSZACIVSA-N 328.441 3.366 30 40 EGEB C=CCOc1ccc(C=C2C(=O)OC(C)(C(C)(C)C)OC2=O)cc1 4151859 FEECVVKJCZJNBT-UHFFFAOYSA-N 330.380 3.497 30 40 EGEB C=CCN(C(=O)/C=C/C(C)(C)C)[C@@H](C)c1cccc(-n2cnnn2)c1 95397166 HNNQXJJHCVSTGL-NKSUMMKUSA-N 339.443 3.340 30 40 EGEB OCCn1c(N/N=C/c2ccccc2O)nc2c3ccccc3ccc21 5395249 MRWXHKXZVWTVAC-FYJGNVAPSA-N 346.390 3.333 30 40 EGEB C#CCOc1ccc(/C=C2\NC(=O)N(Cc3cccc(C)c3)C2=O)cc1 4699514 AVAJIZKOIHMOCE-UYRXBGFRSA-N 346.386 3.100 30 40 EGEB N#C[C@@H]1[C@H](C#N)[C@@H](C(=O)c2ccccc2)N2c3ccccc3S[C@@H]12 4661605 SFLWOYGIMCMLGY-CSHUHZATSA-N 331.400 3.469 30 40 EGEB Cc1nc(S[C@@H](C)C(=O)Nc2cccc(C#N)c2)nc(C)c1C 7252998 GHPJGHPHGWHBPP-ZDUSSCGKSA-N 326.425 3.393 30 40 EGEB N#Cc1cc(F)ccc1CN1CCC[C@@H](c2noc(C3CC3)n2)C1 72299931 AEABCFLHUDIMJZ-CQSZACIVSA-N 326.375 3.337 30 40 EGEB O=S(=O)(/N=C(\O)[C@@H]1SCCc2ccccc21)C1CCCC1 86056598 NAKFOHWKHNHINN-CQSZACIVSA-N 325.455 3.246 30 40 EGEB Cc1nnc(-c2cccc(C#N)c2)n1[C@@H](C)c1nnc(CC(C)C)o1 89735912 FRAUBZCWBDPADS-LBPRGKRZSA-N 336.399 3.316 30 40 EGEB COc1ncccc1C(=O)N1CCCC[C@H]1[C@@H](C#N)c1ccccc1 76042150 AGYYEDGFBMHWCW-ROUUACIJSA-N 335.407 3.392 30 40 EGEB COc1cccc(/C=N\c2cccc(-c3n[nH]c(=N)s3)c2)c1O 408718329 SCHGNNXZJGSKCR-NVMNQCDNSA-N 326.381 3.082 30 40 EGEB N#Cc1ccc(Cn2ccc3occc3c2=O)c(Br)c1 182340453 PVNZMCJONOILLV-UHFFFAOYSA-N 329.153 3.277 30 40 EGEB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3cccc(F)c3)C2(C#N)C#N)cc1 218370852 QXDFQTHLGIDIAJ-IRXDYDNUSA-N 340.379 3.107 30 40 EGEB C#CCCCCCC(=O)Nc1ccccc1C(=O)N=S(C)(C)=O 585124912 ZRYLVOXDQBCOHN-UHFFFAOYSA-N 334.441 3.077 30 40 EGEB N#Cc1ccc(C(F)(F)F)cc1NC1CCN(c2cccnn2)CC1 1616034417 KRCSMJBEJRTRSD-UHFFFAOYSA-N 347.344 3.448 30 40 EGEB CCOc1cccc([C@@H]2C3=C(C[C@H](C)CC3=O)Nc3nc(C)nn32)c1 14164955 LMBGNCVWFOKTEB-BBATYDOGSA-N 338.411 3.253 30 40 EGEB CCOc1cc2c(cc1CNC(=O)c1cccc(C#N)c1)O[C@@H](C)C2 5406809 IFFZDLFDMOWUNB-ZDUSSCGKSA-N 336.391 3.210 30 40 EGEB C[C@@H]1CC[C@]23OC(=N)[C@](C#N)([C@@H]2C1)C(C#N)(C#N)[C@H](c1ccccc1)O3 6851698 GHTRPRHOWLFKPL-QJJNNQMVSA-N 346.390 3.441 30 40 EGEB CN(c1ncc(Cl)cn1)C1CCN(c2ccc(C#N)cc2)CC1 2086861313 DLVNFTFJVQAHFJ-UHFFFAOYSA-N 327.819 3.107 30 40 EGEB Cc1ccc(C[C@@H](C#N)Sc2nc(C)c(CC(N)=O)s2)cc1 40480373 BLNBKELTTWBMTG-ZDUSSCGKSA-N 331.466 3.015 30 40 EGEB C=CCSc1ccccc1NC(=O)N1CCC2(CC1)OCCO2 40526816 NZWPQEPIMGJNMD-UHFFFAOYSA-N 334.441 3.336 30 40 EGEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccco1 19203709 WKOSWJZFFXTFHN-QGZVFWFLSA-N 329.396 3.447 30 40 EGEB Cc1c(-c2cc(C(F)(F)F)nc3sc(C#N)c(N)c23)cnn1C 12394338 NVAZIIAWDGUKOW-UHFFFAOYSA-N 337.330 3.478 30 40 EGEB C=CCn1c(SCC#N)nc2sc3c(c2c1=O)CC[C@@H](C)C3 3531946 AERHVNYXJJPZJW-SNVBAGLBSA-N 331.466 3.384 30 40 EGEB CS/C(=N/S(=O)(=O)c1ccc(C)cc1)N1CCCCCC1 6850781 BMCPUCRDFUAHCL-FOCLMDBBSA-N 326.487 3.279 30 40 EGEB O=S(=O)(OC[C@H]1C[C@H]2C=C[C@H]1C2)c1ccc(Br)cc1 104146201 NOONLCDBDJYHHW-SDDRHHMPSA-N 343.242 3.367 30 40 EGEB N#Cc1ccc(Cl)cc1NC(=O)CSc1ncccc1C(=O)O 3243831 OLDNRBVEZQIMRM-UHFFFAOYSA-N 347.783 3.036 30 40 EGEB CC[C@H]1c2ccsc2CCN1S(=O)(=O)c1ccccc1C#N 12688261 DVNXQLWBRRVIMN-AWEZNQCLSA-N 332.450 3.318 30 40 EGEB CCCOC(=O)C[N+](C)(C)CCO[C@H]1C[C@@H]2CC[C@]1(C)C2(C)C 101825310 YPXYMOSBZGQIMQ-BXWFABGCSA-N 326.501 3.247 30 40 EGEB CC(=O)Nc1ccc(/C(C)=N/OCC(=O)N[C@@H]2CCCC[C@H]2C)cc1 14397335 MNHOSFMCNXYHBR-OIEOQPIXSA-N 345.443 3.081 30 40 EGEB COc1ccc(F)cc1COC(=O)c1ccc(NC(=O)CC#N)cc1 7564430 AKFFWDGZZBUDBO-UHFFFAOYSA-N 342.326 3.043 30 40 EGEB N#Cc1cccc(NC(=O)CCCNC(=O)c2ccc(Cl)cc2)c1 7779744 RWZPZPKJKACGDF-UHFFFAOYSA-N 341.798 3.360 30 40 EGEB C=CCN(Cc1cccs1)C(=O)COc1ccc2c(c1)OCO2 8273013 KSUPUFXMRIXTQD-UHFFFAOYSA-N 331.393 3.070 30 40 EGEB CC(C)(C)c1cc(C(F)(F)F)c(C#N)c(SCCC(N)=O)n1 8843588 PUTDIIQDDWECFV-UHFFFAOYSA-N 331.363 3.237 30 40 EGEB CN(Cc1cccc(C#N)c1)C(=O)Nc1cccnc1OCC(F)F 95980679 KTFXFEVXZSYIAM-UHFFFAOYSA-N 346.337 3.261 30 40 EGEB COc1cc(N[C@H]2CCCN(c3ccc(C#N)nc3)C2)cc(OC)c1 97227898 BCJFBFXNUODKKN-HNNXBMFYSA-N 338.411 3.051 30 40 EGEB O=S(=O)(c1ccc(O)c(/N=C/c2ccccc2O)c1)C(F)(F)F 97294 CXYLYJDYWJDZBW-QGMBQPNBSA-N 345.298 3.142 30 40 EGEB N#Cc1cc(SCC(=O)Nc2ccccc2)c([N+](=O)[O-])cc1C#N 526533 QPBNXPNGEBDPCB-UHFFFAOYSA-N 338.348 3.069 30 40 EGEB C[C@H](CNC(=O)c1ccccc1-c1ccccc1C#N)Cn1cccn1 53544990 WTJPKQNQABDUKD-MRXNPFEDSA-N 344.418 3.488 30 40 EGEB C#CCN(Cc1cccc(C)n1)Cc1nnc(-c2ccc(F)cc2)o1 78970536 WMRNLKYKGPVBCP-UHFFFAOYSA-N 336.370 3.215 30 40 EGEB COc1ccc(OC)c(N[C@@H](C)C(=O)Nc2cccc(C#N)c2)c1 12606095 XPJJQFDWXKXETA-LBPRGKRZSA-N 325.368 3.015 30 40 EGEB N#C[C@H](C(=O)CCc1c(F)cccc1F)c1nnc2n1CCCCC2 58264288 FCCVDGLQZGHVTK-CYBMUJFWSA-N 344.365 3.092 30 40 EGEB C[C@@H]1CN(CN2C(=O)/C(=N/c3ccccc3)c3ccccc32)C[C@@H](C)O1 100153730 LBEGJLYBEASKPC-OVDVQJHRSA-N 349.434 3.221 30 40 EGEB Cc1cc2n(c(=O)c1C#N)CC(c1ccc(Br)cc1)=C2 5529097 GRMACYXPSKUERE-UHFFFAOYSA-N 327.181 3.345 30 40 EGEB CN(C)S(=O)(=O)c1ccc(C(=O)/C=C/c2ccccc2Cl)cc1 7168015 HGLYJWJWLOAOLH-FMIVXFBMSA-N 349.839 3.486 30 40 EGEB COCCOc1c(Cl)cccc1NCc1cc(C#N)n(C)c1C 95428834 LQRKXYMJAARYMK-UHFFFAOYSA-N 333.819 3.496 30 40 EGEB N#Cc1ccc(CNC(=O)CCC(=O)c2ccc(F)cc2F)c(F)c1 89768265 PATHGXPRJKTTEA-UHFFFAOYSA-N 346.308 3.255 30 40 EGEB Cc1ccc(C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)s1 75180733 PEMOARVSBDTHQA-UHFFFAOYSA-N 341.436 3.142 30 40 EGEB C=CCc1cc(/C=N/c2ccc(O)cc2)cc(OC)c1OCC(=O)O 408857957 QQPCADLSASNENL-RGVLZGJSSA-N 341.363 3.343 30 40 EGEB Cc1cc(C(=O)N(CCC#N)Cc2ccccn2)nn1-c1ccccc1 69533228 MTKZRBPXBNBLBV-UHFFFAOYSA-N 345.406 3.132 30 40 EGEB C=CCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)CC 223337813 VCDPMKPXWVEYCT-FQEVSTJZSA-N 336.435 3.469 30 40 EGEB N#Cc1cn(Cc2ccccn2)c2ccc(Br)cc2c1=O 97102241 VXJZFEHACISJBM-UHFFFAOYSA-N 340.180 3.079 30 40 EGEB Cc1ccc(NCc2cc(C#N)ccc2F)c(OCC(=O)N(C)C)c1 96453411 BRBJPVCOWVARIZ-UHFFFAOYSA-N 341.386 3.085 30 40 EGEB C[C@]12CN(NC(=O)c3ccc(Cl)cc3)[C@]3(C#N)C[C@H]1CC[C@]23C 5068641 GICLVULQWFFDEX-RNJTYBCJSA-N 329.831 3.389 30 40 EGEB CSc1nc2n(n1)[C@@H](c1ccccc1)C1=C(C[C@@H](C)CC1=O)N2 14164836 XSIVVLIVQSVRMM-BMIGLBTASA-N 326.425 3.268 30 40 EGEB CN1C(=O)N[C@@H](c2ccc(Br)cc2)C2=C1CCCC2=O 67231 TVYQUTVMCNDNOP-AWEZNQCLSA-N 335.201 3.152 30 40 EGEB N#Cc1ccccc1S(=O)(=O)N1CC2(CC(c3ccccc3)C2)C1 1889257059 IUUGAEUPXICPHW-UHFFFAOYSA-N 338.432 3.127 30 40 EGEB N#CCc1nn(-c2ccccc2)c2ncn(C3CCCCC3)c(=N)c12 100283541 LWHJRVFXVPVMHF-UHFFFAOYSA-N 332.411 3.273 30 40 EGEB CN(C(=O)CN1CCC[C@@H]1c1nc2ccccc2s1)C(C)(C)C#N 30965382 INGPPXNJGVLINE-CQSZACIVSA-N 342.468 3.194 30 40 EGEB COc1ccc(/C=N/CCc2ccc(OC)c(OC)c2)cc1OC 104157782 OYKYCTMRLGPLFT-DEDYPNTBSA-N 329.396 3.383 30 40 EGEB C=CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1sccc1OC 95415276 BSVLFLYRRGYGSL-UHFFFAOYSA-N 348.449 3.005 30 40 EGEB N#CCCN(Cc1ccco1)C(=O)c1cccc(NC(=O)C2CC2)c1 58193685 HSBPEYHLVYEYDQ-UHFFFAOYSA-N 337.379 3.184 30 40 EGEB C=C1C(=O)O[C@H]2C[C@H]1[C@@H](O)C/C(C)=C\CC/C(C)=C/[C@@H](O)C[C@H]2C 52429285 GQTPRLWQZDUWKJ-SYCMDYHESA-N 334.456 3.299 30 40 EGEB CCCc1nnc(SCC(=O)Nc2ccccc2SCC#N)[nH]1 11808016 VXBMSVPSNNJYLT-UHFFFAOYSA-N 347.469 3.104 30 40 EGEB Cc1ccc(N(C)C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)cc1 60352209 CHWVOPIIFOWKAB-UHFFFAOYSA-N 347.422 3.122 30 40 EGEB COc1ccc(CO/N=C/c2cc(OC)c(OC)c(OC)c2)cc1F 6230963 KDPSRMDPMQFZQV-KEBDBYFISA-N 349.358 3.411 30 40 EGEB CC(C)[C@@H]1C[C@H](CN2CCN(Cc3ccccc3)[C@H](C#N)C2)CCO1 95466183 PWLQEBLEJOEYFZ-NJYVYQBISA-N 341.499 3.148 30 40 EGEB CCOc1cc(/C=C2/COc3ccc(OC)cc3C2=O)ccc1O 96993447 RMBYRNMTLSHSIV-JYRVWZFOSA-N 326.348 3.458 30 40 EGEB Cc1cc(=O)[nH]c(-c2cccc(OC(=O)c3ccc(C#N)cc3C)c2)n1 89587592 BJVFRXDOBKCCCL-UHFFFAOYSA-N 345.358 3.145 30 40 EGEB C=CCn1c(-c2ccccc2)nn(CN2C[C@@H](C)O[C@H](C)C2)c1=S 20572530 RNINXWNMVHEVQJ-HUUCEWRRSA-N 344.484 3.334 30 40 EGEB Cc1cc(S(=O)(=O)/N=C(O)/C=C/c2cccnc2)c(F)cc1F 96485451 YQOZMNWVKCJKIY-SNAWJCMRSA-N 338.335 3.027 30 40 EGEB C=CCN1C(=O)CCC[C@]12CCCN(Cc1ccc(OC)cc1)C2 96050009 OCXZRAOIDNHWTB-HXUWFJFHSA-N 328.456 3.228 30 40 EGEB C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 13546160 AIPVEEYYOOGTAW-YTOWZHFOSA-N 332.484 3.486 30 40 EGEB biogenic COc1ccc(NC(=O)c2oc3c(c2C)/C(=N/O)CCC3)c(OC)c1 16740192 YCYIXGNFNLLTCR-DEDYPNTBSA-N 344.367 3.372 30 40 EGEB COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)c(O)c1 17107152 DOMQQVLOFWGMFV-WEVVVXLNSA-N 344.363 3.323 30 40 EGEB COc1ccccc1OCCOc1cccc(/C=N/c2nnc[nH]2)c1 6182655 MRRYPLZAMUEROI-XDHOZWIPSA-N 338.367 3.022 30 40 EGEB C[C@]12CN(/N=C/c3ccc(Cl)cc3)[C@]3(C(N)=O)C[C@@H]1CC[C@@]23C 101023490 WYNOWNMBEJHPPD-AFCMQHPESA-N 331.847 3.040 30 40 EGEB C[C@@H](C#N)CN(C)C(=O)c1cccc(OCc2ccccc2C#N)c1 58061110 BQUNKTFWLMHFKZ-HNNXBMFYSA-N 333.391 3.369 30 40 EGEB Cc1ccc([C@H](NS(=O)(=O)c2cccc(C#N)c2)C2CC2)cc1 10682757 QLISJYOTIPUKIS-SFHVURJKSA-N 326.421 3.296 30 40 EGEB Cc1cc(C(=O)OCC(=O)Nc2cccc(C#N)c2)c2ccccc2n1 2617252 UMUJXRWRPTVPBO-UHFFFAOYSA-N 345.358 3.210 30 40 EGEB CC(=O)/C(=N/Nc1ccc([N+](=O)[O-])cc1)N1CCCc2ccccc21 13142478 CGVOPGFFYAKNBF-ZZEZOPTASA-N 338.367 3.362 30 40 EGEB COC(=O)[C@@H](NCc1ccc(F)c(Cl)c1)c1cccc(C#N)c1 83031141 CMUSCYXVWNJZHM-INIZCTEOSA-N 332.762 3.355 30 40 EGEB C#CCN1C(=O)S/C(=C\c2ccc(-c3ccc(C#N)cc3)o2)C1=O 5047359 UFZQFTVORKHJRT-YBEGLDIGSA-N 334.356 3.488 30 40 EGEB COc1ccccc1[C@@H](C#N)NC(=O)Cc1cc(-c2ccccc2)on1 96427198 QZFLGNFSWXXBNP-QGZVFWFLSA-N 347.374 3.274 30 40 EGEB Cn1cc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cn1 96433135 AZXQXAAVIKOMII-UHFFFAOYSA-N 336.326 3.475 30 40 EGEB CC/N=C1/S[C@@H](CC(=O)Nc2ccc(Cl)cc2)C(=O)N1CC 18265478 LDWJLKZUBFBIGU-FUYOWACXSA-N 339.848 3.008 30 40 EGEB N#Cc1ccc(N2CCC(Nc3cc(C(F)(F)F)ccn3)CC2)nc1 89794191 JEEZFDOVDJNMLN-UHFFFAOYSA-N 347.344 3.448 30 40 EGEB N#Cc1ccc(NCc2ccc(NC(=O)c3cccnc3)cc2)cn1 301500093 FPSVEUOHIWUALA-UHFFFAOYSA-N 329.363 3.213 30 40 EGEB N#CCOc1ccccc1/C=C1\SC(=N)[C@H](c2nccs2)C1=O 138302216 YOWKGIWBXTZXNL-CHWKGXALSA-N 341.417 3.463 30 40 EGEB C=CCN1CCNC[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 257344955 ZZJCPTMTOZJMJF-GOSISDBHSA-N 338.426 3.269 30 40 EGEB COC(=O)C1=C(Nc2ccccc2)S/C(=C/c2ccco2)C1=O 173153 NKBMBEGQQBFSDD-JLHYYAGUSA-N 327.361 3.433 30 40 EGEB CCOc1ccc(Br)c(/C=N/c2ncccc2O)c1O 3191511 OENPLOGHVHWQKM-CAOOACKPSA-N 337.173 3.405 30 40 EGEB CC1=CC(=O)C(C(C)C)=C/C1=N\OC(=O)c1cccc([N+](=O)[O-])c1 5197207 MTQALLSXLREZEC-OBGWFSINSA-N 328.324 3.219 30 40 EGEB N#Cc1cccc(C(=O)Nc2nc3ccccc3nc2N2CCCC2)c1 12879813 DMFINZUUUOQENS-UHFFFAOYSA-N 343.390 3.354 30 40 EGEB CC(=O)N1CCc2cc(C(=O)[C@@H](C#N)c3nc4ccccc4o3)ccc21 41542982 XEUVSTZQRDSCIR-OAHLLOKOSA-N 345.358 3.227 30 40 EGEB C=CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@@H]1c1ccccc1 2463601 RCILNRDSPVBPFY-IUODEOHRSA-N 342.420 3.064 30 40 EGEB C=CCNc1nc(C(=O)OCCOc2ccc(OCC)cc2)cs1 3568769 OESWLKTVSSPOSK-UHFFFAOYSA-N 348.424 3.376 30 40 EGEB C=CCN1C(=O)NC(=O)/C(=C(/CC)Nc2ccc(C(C)C)cc2)C1=O 5625217 KJMHDHZCIBZWCV-FOCLMDBBSA-N 341.411 3.150 30 40 EGEB CC(=O)OCC1=Cc2ccccc2N(C(=O)c2ccccc2)[C@H]1C#N 68741492 QMZRRIRNMMYOAR-IBGZPJMESA-N 332.359 3.186 30 40 EGEB CC(C)[C@@H](NCc1cccc(C#N)c1)c1nc(-c2ccncc2)no1 69169697 ZDERZGIPYZUQMB-QGZVFWFLSA-N 333.395 3.490 30 40 EGEB S=C(NC[C@@H]1CCCO1)NN=C1CCC(c2ccccc2)CC1 8285971 OTGPPSGHRRTZCK-LWKPJOBUSA-N 331.485 3.343 30 40 EGEB N#C[C@@]1(NC(=O)/C=C/c2csc(Br)c2)CCSC1 96407524 JSNKWRASYITJBO-ISUDXETCSA-N 343.271 3.039 30 40 EGEB COc1cccc([C@@H](C#N)NC(=O)c2cc(C)ccc2F)c1OC 69845238 FJHWRDQHNQBOHA-OAHLLOKOSA-N 328.343 3.146 30 40 EGEB CCc1nnc(CO/N=C(\C)c2nc3ccccc3n2C(F)F)o1 98056677 XADHRZMQTHHYGD-ZVBGSRNCSA-N 335.314 3.318 30 40 EGEB C=CCOc1cccc(-c2nn3c(CN(CC)CC)nnc3s2)c1 71260554 SDWFDZXNDMSQGM-UHFFFAOYSA-N 343.456 3.259 30 40 EGEB CC1(C)Oc2ccc(NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)cc2O1 280855676 QFJZKRRNYZQAJY-HNNXBMFYSA-N 347.374 3.387 30 40 EGEB CNC(=S)N/N=C/c1cn(Cc2ccccc2F)c2ccccc12 510219 ANSFBWHEPZWDIR-UFFVCSGVSA-N 340.427 3.257 30 40 EGEB CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C 4887114 XEYDJPIWTXGAEZ-QJSKAATBSA-N 328.452 3.470 30 40 EGEB C=C(C)CN(CC)CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O 28781129 NQUFOOQGHMFPHC-HXUWFJFHSA-N 341.455 3.016 30 40 EGEB N#Cc1cccnc1NC[C@H]1CCN(Cc2nc3ccccc3s2)C1 65478017 BIXYXAPDINHAEW-CQSZACIVSA-N 349.463 3.497 30 40 EGEB Cc1c(C(=O)/C=C/c2csc([N+](=O)[O-])c2)c(C#N)c2n1CCC2 65593231 XDLUYYLPSQXQGJ-SNAWJCMRSA-N 327.365 3.480 30 40 EGEB N#CCCN(Cc1ccco1)C(=O)/C=C/c1cnn(-c2ccccc2)c1 65607618 WWJWIHJNOZWMHG-MDZDMXLPSA-N 346.390 3.421 30 40 EGEB CCOC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O 5967400 JZCQVKOJCQYSMA-MFOYZWKCSA-N 342.322 3.384 30 40 EGEB Cn1cc(C#N)cc1C(=O)O[C@H](c1ccncc1)c1ccc(F)cc1 83766191 BKWSPTYTNFRCPO-SFHVURJKSA-N 335.338 3.377 30 40 EGEB CC(=O)Nc1ccc(S(=O)(=O)/N=C(\O)C[C@H](C)CC(C)C)cc1 70029142 HOOZMDGLLUESMY-GFCCVEGCSA-N 340.445 3.363 30 40 EGEB C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCOCC1(C)C 69809311 DJYHSOOZIFXUGP-AWEZNQCLSA-N 347.484 3.130 30 40 EGEB Cc1cccc(C)c1NC(=O)CN(C)Cc1cn2ccccc2c1C#N 8772415 XHBBFPVQDUAHQN-UHFFFAOYSA-N 346.434 3.498 30 40 EGEB C=C(C)CN1CCC(NC(=O)N[C@@H]2CCCC[C@H]2C(F)(F)F)CC1 72268206 GFIWBOQBGVXRKM-HUUCEWRRSA-N 347.425 3.447 30 40 EGEB CO[C@H](C)c1cccc(N[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)c1 79354973 SFMJWYZHWXKJOG-AUUYWEPGSA-N 335.407 3.483 30 40 EGEB CN(C(=O)c1cccc(CC#N)c1)[C@H]1CCCN(c2ccccc2)C1=O 96406498 FQLFMBGFPNHIBA-IBGZPJMESA-N 347.418 3.020 30 40 EGEB Cc1nc(S(=O)(=O)N(C)[C@H](C)CC#N)c(-c2ccccc2)s1 585115557 GTXUQKUWSGWAIM-LLVKDONJSA-N 335.454 3.041 30 40 EGEB C=C(C)C[C@H](C)C(=O)NCc1snc(OC)c1Br 585127600 FBDYAJUNRDWDQQ-QMMMGPOBSA-N 333.251 3.133 30 40 EGEB N#CCc1cc(F)c(I)cc1Br 169797937 KBAMDGKEZXVOGW-UHFFFAOYSA-N 339.933 3.259 30 40 EGEB COc1ccc(/C=N\N=C/c2ccc(OC)c(OC)c2)cc1OC 13152256 DCROUMFSOORFPU-YZLQMOBTSA-N 328.368 3.174 30 40 EGEB CCOc1cccc2cc(C(N)=O)/c(=N/c3ccc(C#N)cc3)oc12 17130882 FOBLCNOIUSHYNH-QOCHGBHMSA-N 333.347 3.034 30 40 EGEB CCCCCn1cnnc1S[C@@H](C)C(=O)Nc1ccccc1C#N 7135760 DLVQRDFEWXXZJL-ZDUSSCGKSA-N 343.456 3.459 30 40 EGEB CCOc1cc(/C=N\OCC(=O)Nc2cccc(C)c2)ccc1OC 107610840 RBIFBYUHWGHKTG-NDENLUEZSA-N 342.395 3.392 30 40 EGEB COC(=O)N1CCC(NC2CCC(C#N)(c3ccccc3)CC2)CC1 97032669 ICKSJLUUADIUQH-UHFFFAOYSA-N 341.455 3.211 30 40 EGEB N#CCCN(CCC#N)Cn1nc2sc3ccccc3n2c1=S 25284852 UPQBZDMWHIFEGX-UHFFFAOYSA-N 342.453 3.167 30 40 EGEB CCN(CC)c1ccc(/N=C2/C=CC(=O)C=C2NC(C)=O)c(C)c1 104321252 ZIHMHOVZBAXYIY-UZYVYHOESA-N 325.412 3.073 30 40 EGEB COc1ccc(OC)c(C[C@H](C#N)C(=O)Nc2ccccc2F)c1 57523329 IROQWLYXUSZXII-CYBMUJFWSA-N 328.343 3.164 30 40 EGEB C=CCOc1c(/C=C2/SC(=S)N(CC)C2=O)cccc1OC 408528508 GKGCDYIXXIKUOD-JLHYYAGUSA-N 335.450 3.481 30 40 EGEB CC(C)[C@](C)(C#N)NC(=O)CNC(c1ccccc1)c1ccccc1 69302871 UEASDLNNHLROFW-NRFANRHFSA-N 335.451 3.420 30 40 EGEB N#C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1c(F)cccc1Cl 69707713 HBGVRVUMJDVHMP-ZDUSSCGKSA-N 347.733 3.311 30 40 EGEB N#Cc1ccc(-c2ccc(/C=N/N3C(=O)c4ccccc4C3=O)o2)cc1 409022912 VUJCEENDAKYBKW-WSDLNYQXSA-N 341.326 3.448 30 40 EGEB N=C1S/C(=C\c2ccc(C(=O)O)cc2)C(=O)[C@@H]1c1nccs1 34805023 LZSNLZBGGKYETD-YHXJBOQGSA-N 330.390 3.259 30 40 EGEB N#Cc1ccc(OCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)cc1 79355841 RIGFYXAHLNYDPI-IBGZPJMESA-N 336.391 3.046 30 40 EGEB CC[C@@H](c1ccc(F)cc1F)N1CCN(C[C@@H](C#N)CCC#N)CC1 96435788 XEGLUJJNSZJOGY-BEFAXECRSA-N 346.425 3.477 30 40 EGEB CC(C)(C#N)c1ccc(NC(=O)[C@@H]2CCCN(c3ncccn3)C2)cc1 25440328 JNVTXHKJSNIXKX-OAHLLOKOSA-N 349.438 3.133 30 40 EGEB C=CCOc1ccc([C@H]2Nc3nonc3NC3=C2C(=O)CCC3)cc1 12409510 NVBBMGGVXIFWEX-MRXNPFEDSA-N 338.367 3.220 30 40 EGEB O=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccc3c(c2)OCCO3)c1O 217860 VNGOQTYMKFHZMD-CAOOACKPSA-N 334.715 3.476 30 40 EGEB COc1ccc([C@@H](C#N)N2CCN(C(=O)c3ccccc3C)CC2)cc1 41259277 BRDFFEUERYDRJB-HXUWFJFHSA-N 349.434 3.026 30 40 EGEB N#Cc1c(F)cccc1N1CCC(n2c(=O)[nH]c3ccccc32)CC1 52719072 FVALEQJYCCRUAA-UHFFFAOYSA-N 336.370 3.182 30 40 EGEB C=CCOc1ccc([C@H]2C3=C(CCCC3=O)Nc3[nH]nc(O)c32)cc1 12347298 NXWZTHHBIOTFNT-HNNXBMFYSA-N 337.379 3.245 30 40 EGEB N#Cc1cccnc1N1CCCN(Cc2nc3ccccc3s2)CC1 58140732 HWEFOWMMENNOHB-UHFFFAOYSA-N 349.463 3.275 30 40 EGEB C#Cc1cccc(NC(=O)C(C)(C)n2cc(Br)cn2)c1 95393782 XIKHKWOFRXBCEG-UHFFFAOYSA-N 332.201 3.001 30 40 EGEB COC(=O)c1sc(NC(=O)COc2cccc(C)c2)c(C#N)c1C 4537778 IIWFAIJWKVWBTH-UHFFFAOYSA-N 344.392 3.041 30 40 EGEB CC1=C(C(=O)c2ccccc2)[C@@H](c2ccccc2[N+](=O)[O-])NC(=O)N1 6755210 UIFVWQDHJJJUTJ-MRXNPFEDSA-N 337.335 3.106 30 40 EGEB CN(CC(=O)Nc1sc2c(c1C#N)CCC2)Cc1cccc(F)c1 6785646 OEWDOTHJMASTHH-UHFFFAOYSA-N 343.427 3.318 30 40 EGEB CC(C)c1n[nH]c(SCC(=O)Nc2cc(Cl)ccc2C#N)n1 5862131 QHFCIYXOSQQAOK-UHFFFAOYSA-N 335.820 3.184 30 40 EGEB C[C@@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1ccc(C#N)cc1 7848579 HSJUPHHJDMZYBT-CQSZACIVSA-N 348.406 3.124 30 40 EGEB Cc1csc([C@@H](C#N)C(=O)c2cccc(OCC(F)(F)F)n2)n1 76018964 OHMNVJJFCDXTHL-VIFPVBQESA-N 341.314 3.278 30 40 EGEB COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(C(C)C)cc1 409136267 YFOWBVLYGHSLBZ-MRXNPFEDSA-N 341.407 3.274 30 40 EGEB C=CCNC(=O)[C@H]1[C@@H]2[C@H]1CC[C@@]21CC(=O)c2cc(Cl)ccc2O1 72334231 VBHRUMJEJJKFRF-QOQPWIFLSA-N 331.799 3.002 30 40 EGEB N#Cc1cccc(C(=O)NCc2cccc(OCC(F)(F)F)c2)c1 32930620 MSUCNONPZPLHKL-UHFFFAOYSA-N 334.297 3.429 30 40 EGEB COc1nc(C)ccc1CNC(=O)CCSc1ccc(C#N)cc1 71799963 VJXIKJNKSNEEEN-UHFFFAOYSA-N 341.436 3.069 30 40 EGEB C=CCOc1ccccc1CNC(=O)Cc1sc(S)nc1C 71896713 UJKCXNDVYSFWPP-UHFFFAOYSA-N 334.466 3.164 30 40 EGEB Cc1nc(-c2cccc(C(=O)N[C@@]3(C#N)CCSC3)c2)cs1 72302836 GSPJODGQTUJKIU-MRXNPFEDSA-N 329.450 3.248 30 40 EGEB CN(Cc1nccn1Cc1ccccc1)C(=O)Nc1cccc(C#N)c1 96433715 ONNSAZHBYPUPGV-UHFFFAOYSA-N 345.406 3.467 30 40 EGEB CCCCCC(=O)N1CC[C@@H](CC(=O)N(C)CCC#N)[C@@H](CC)C1 5412809 MWSVZNWFUDDMQN-IRXDYDNUSA-N 335.492 3.204 30 40 EGEB biogenic,in-vitro C=CCOc1ccc(C(=O)NCCc2ccccc2OC)cc1OC 14095141 XAXXSELADSYYLH-UHFFFAOYSA-N 341.407 3.241 30 40 EGEB COc1ccc([C@H](NC(=O)N2CCC(C#N)CC2)C(F)(F)F)cc1 155074114 ODVIACKFVTYZNP-AWEZNQCLSA-N 341.333 3.244 30 40 EGEB COc1cccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)O)ccc3C2=O)c1 11866283 XDUKFPOLCRCBIO-PKSBALPTSA-N 340.331 3.163 30 40 EGEB biogenic COc1ccc(Oc2cc(C#N)c(C#N)cc2N2CCOCC2)cc1 556266 DUUFBMDJKSKGAN-UHFFFAOYSA-N 335.363 3.067 30 40 EGEB C#CCOc1ccc([N+](=O)[O-])cc1/C=N/NCc1ccccc1Cl 8811302 CDBLJBWHYLVYLR-UDWIEESQSA-N 343.770 3.384 30 40 EGEB N#Cc1cccc(NC(=O)N(Cc2cccnc2)C[C@@H]2CCCO2)c1 44973419 ZTHUXCFRYVCILP-SFHVURJKSA-N 336.395 3.166 30 40 EGEB Cc1cc(N2CCCC2)c(F)cc1/C=N/Nc1ncccc1[N+](=O)[O-] 107983350 VYSHVQCGJHEJAG-RGVLZGJSSA-N 343.362 3.484 30 40 EGEB CC1(C)CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1ccnc2ccccc12 18200899 XXSVDRNZXBXDRG-SFHVURJKSA-N 345.406 3.484 30 40 EGEB CCc1nc(C(=O)[C@H](C#N)c2nc(O)c3ccc(Cl)cc3n2)co1 97097971 LGZWGKULBHTKQT-JTQLQIEISA-N 342.742 3.029 30 40 EGEB O=S(=O)(N/N=C\c1cccc(Cl)c1Cl)c1ccccc1 31819349 JTJVMOCEZVLZOX-SXGWCWSVSA-N 329.208 3.306 30 40 EGEB CC[C@H](C)n1c(C#N)cc(N)c1N1CCN(c2ccc(F)cc2)CC1 225870742 RCYRBPYTGVLZCS-AWEZNQCLSA-N 341.434 3.379 30 40 EGEB COc1ccc([C@H](NC(=O)CC#N)c2ccccc2Cl)cc1OC 97097302 QPWOIAADCQUOCC-SFHVURJKSA-N 344.798 3.476 30 40 EGEB N#CC1(c2ccc(-c3cnc(N4CCC(O)CC4)nc3)s2)CCC1 600792734 FDEVTYSPLWGFIO-UHFFFAOYSA-N 340.452 3.111 30 40 EGEB CCc1ccc2[nH]c3nc(N/N=C/c4ccccc4O)nnc3c2c1 5471605 KCMNBNIWLPKADN-VXLYETTFSA-N 332.367 3.220 30 40 EGEB C#CCn1/c(=N/C(=O)c2ccc(OC)cc2)sc2cc(F)ccc21 100875360 SZUDCAVVQJGRDR-ZZEZOPTASA-N 340.379 3.225 30 40 EGEB Cc1cccc(CCC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 40108353 RUBUWUAKJHZFNF-UHFFFAOYSA-N 349.478 3.390 30 40 EGEB N#C[C@H](Cc1cccnc1)C(=O)Nc1ccc(Br)cc1 419717 YYWRHBKOHFMBFD-LBPRGKRZSA-N 330.185 3.165 30 40 EGEB COc1ccc(CC(=O)N[C@@H](C#N)c2ccccc2OC)c(Cl)c1 89432639 OXJZQXPULSZCAZ-INIZCTEOSA-N 344.798 3.281 30 40 EGEB C[C@H](Nc1ccc(Cl)cc1C#N)c1cccc(S(N)(=O)=O)c1 79016501 UTQXMDHUFXPXBA-JTQLQIEISA-N 335.816 3.032 30 40 EGEB Cc1nc(NC(=O)[C@H](C)N(C)Cc2cccc(C#N)c2)sc1C 26329205 BMTFTHSBMVTHSY-LBPRGKRZSA-N 328.441 3.091 30 40 EGEB Cc1nn(C)c(C)c1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 2781779 BBBUOUFJLBFUPK-SECBINFHSA-N 328.441 3.347 30 40 EGEB C[C@H](OC[C@H]1CCCO1)C(=O)Nc1cc(C(C)(C)C)sc1C#N 91208757 LOTYZYZYANVTOS-NWDGAFQWSA-N 336.457 3.440 30 40 EGEB CC/N=C(/NCCc1c[nH]c2ccccc12)N1CCC(OCC)CC1 83867001 UXRHERASQAAJIP-UHFFFAOYSA-N 342.487 3.177 30 40 EGEB N#C[C@H](NC(=O)CSCc1ccncc1)c1cccc(Cl)c1 69894387 XBJJBBMVIMQGMT-HNNXBMFYSA-N 331.828 3.349 30 40 EGEB N#C[C@H](NC(=O)c1cccc(Nc2cnccn2)c1)c1ccccc1F 72291653 UBDNATBKNQBJOI-KRWDZBQOSA-N 347.353 3.354 30 40 EGEB COc1cc(OC)c([N+](=O)[O-])cc1C=C1C(=O)c2ccccc2C1=O 408910538 KTCSXIHDSRDIAN-UHFFFAOYSA-N 339.303 3.075 30 40 EGEB C=CCOc1cccc(NC(=S)NCc2ccc3c(c2)OCO3)c1 225377559 QVWWOQJGZYMNHG-UHFFFAOYSA-N 342.420 3.467 30 40 EGEB Cc1ccccc1C[C@H](C)/N=C(/O)C(C)(C)n1cc([N+](=O)[O-])cn1 330031917 FXINHEBNYNWMCQ-ZDUSSCGKSA-N 330.388 3.423 30 40 EGEB CCN(CC)C(=O)C[N+](C)(Cc1ccccc1)c1cc(C)nc(C)n1 5452806 UWHJRCBIBKHUSD-UHFFFAOYSA-N 341.479 3.099 30 40 EGEB CC(C)n1ncc2cc(NC(=O)CCc3ccccc3C#N)cnc21 10366686 DMUDCDGLLRLSMT-UHFFFAOYSA-N 333.395 3.455 30 40 EGEB COc1cc(-c2c(C#N)c(N)nc3c2CCCC3)cc(OC)c1OC 20192685 KMAHFEKVZIUJSC-UHFFFAOYSA-N 339.395 3.107 30 40 EGEB N#Cc1ccc(NC[C@@H](c2ccco2)N2CCCC2)c([N+](=O)[O-])c1 32533958 OUQXESHKJWUIQG-INIZCTEOSA-N 326.356 3.308 30 40 EGEB N#Cc1ccc(C(=O)OCC(=O)Nc2cc(F)ccc2Cl)cc1 57471946 CIFXPZRYYKUAOB-UHFFFAOYSA-N 332.718 3.146 30 40 EGEB CC(C)OC(=O)C[N+](C)(C)CCO[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C 102349978 IOGAHPAXONVGAW-FCEWJHQRSA-N 326.501 3.246 30 40 EGEB CC/C(=N\NC(N)=S)c1ccc(OCc2ccccc2)cc1OC 13617874 YDKNPOZACINMDQ-CAPFRKAQSA-N 343.452 3.222 30 40 EGEB Cc1cccc(C[C@H]2S/C(=N/N=C\c3ccccc3F)NC2=O)c1 5010015 NXPZKOGKJUYCBP-IWEBCOIVSA-N 341.411 3.298 30 40 EGEB COc1ccc(/C=C/C(=O)c2ccc(N3CCOCC3)cc2)cc1O 6247981 BRYYAZOVISKNPJ-KRXBUXKQSA-N 339.391 3.134 30 40 EGEB COc1ccc(CN2CC[C@@H](CNc3ncccc3C#N)C2)cc1F 65498655 QXKUAOHZLFNTCD-HNNXBMFYSA-N 340.402 3.035 30 40 EGEB CC(C)/N=C1\S/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C(=O)N1C(C)C 409214604 WJIUEVMKWZZIMU-MFQPIFHCSA-N 349.412 3.390 30 40 EGEB Cc1nc(NS(=O)(=O)c2cccc(F)c2)sc1SCC#N 66253616 FPNRBDDJZUPVOY-UHFFFAOYSA-N 343.430 3.007 30 40 EGEB C=CCN(CC=C)C(=O)COc1ccc2[nH]c3ccccc3c(=O)c2c1 7983033 UQOIAINYBPJKJL-UHFFFAOYSA-N 348.402 3.261 30 40 EGEB C=CCNC(=O)c1ccccc1NC(=O)/C=C/c1ccc2c(c1)CCO2 9954529 NFXDQTXTJLDEGC-CSKARUKUSA-N 348.402 3.189 30 40 EGEB Cc1nnc(-c2cccc(C#N)c2)n1[C@H](C)c1nnc(CC(C)C)o1 89735915 FRAUBZCWBDPADS-GFCCVEGCSA-N 336.399 3.316 30 40 EGEB CCCCC/C(O)=N/S(=O)(=O)c1cncc(Br)c1 49135791 JTJHUCIRIFUMGT-UHFFFAOYSA-N 335.223 3.070 30 40 EGEB Cc1cc(Cl)c2ncc(C#N)c(NCC3(S(C)(=O)=O)CC3)c2c1 225778509 ZIOJNRLCXSEEAD-UHFFFAOYSA-N 349.843 3.057 30 40 EGEB C#CCN1C(=O)S/C(=C\c2cc(Cl)c(O)c(Cl)c2)C1=O 981391 KTKLYYZHBLRDHP-POHAHGRESA-N 328.176 3.369 30 40 EGEB N#Cc1cccc(NC(=O)CSCC(=O)Nc2ccccc2F)c1 6605167 WKPIDRBJTWWYFT-UHFFFAOYSA-N 343.383 3.008 30 40 EGEB C#CCn1c([C@H]2CC(=O)N(c3cccc(OC)c3)C2)nc2ccccc21 14095662 VFMPUMBEFOXWRG-HNNXBMFYSA-N 345.402 3.199 30 40 EGEB C=CCn1c(C)c(C(=O)OCC)s/c1=N/c1cccc([N+](=O)[O-])c1 100840869 JOJZOYZZASJZGY-WUKNDPDISA-N 347.396 3.361 30 40 EGEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCCN(CC)CC)[C@H]3C[C@@H]12 20612052 OZLBETOWSCJFKV-GQUPQBGVSA-N 348.531 3.232 30 40 EGEB biogenic Cc1occc1C(=O)[C@H](C#N)C(=O)CCC(=O)c1ccc(F)cc1F 103503128 YYWHSJORAADNQX-CQSZACIVSA-N 345.301 3.421 30 40 EGEB Cc1nc(C(F)(F)F)ccc1/C(O)=N/c1nc(-c2ccccn2)n[nH]1 53526720 CAFDWMYLBWXXIT-UHFFFAOYSA-N 348.288 3.225 30 40 EGEB Cc1ccccc1NC(=O)C[C@H]1S/C(=N/C2CCCCC2)NC1=O 12463109 MDXVLNWNJQBXFM-OAHLLOKOSA-N 345.468 3.244 30 40 EGEB N#CCSc1ccccc1C(=O)Nc1ccc2c(c1)OCCO2 22990266 ZFRSCFAAPOVRCZ-UHFFFAOYSA-N 326.377 3.326 30 40 EGEB C=CCn1nnc(NC(=O)c2ccc(-c3ccccc3Cl)o2)n1 10148857 SDKLHOVKYJFFLS-UHFFFAOYSA-N 329.747 3.025 30 40 EGEB Cc1ccc(C(=O)OCC(=O)N(CCC#N)c2ccccc2)c(C)c1 3259491 ARUUMRYBTGQWDG-UHFFFAOYSA-N 336.391 3.407 30 40 EGEB N#CC1(C(=O)N2CCCN(Cc3cccs3)CC2)CCCCC1 57387789 DUQBAYAANGDPJA-UHFFFAOYSA-N 331.485 3.256 30 40 EGEB N#Cc1c(F)cccc1NCc1cccc(NC(=O)Cn2cccn2)c1 71184874 BVDDJBZKIIOSSK-UHFFFAOYSA-N 349.369 3.145 30 40 EGEB CN(CC(=O)Nc1cccc2ccccc12)C(=O)c1ccc(C#N)cc1 5262167 OSPZSOPHGHSVOU-UHFFFAOYSA-N 343.386 3.422 30 40 EGEB C#CCNC(=O)c1ccccc1NC(=O)c1ccc(F)cc1Cl 66288566 NFBQNFVKISXNHU-UHFFFAOYSA-N 330.746 3.094 30 40 EGEB COc1cccc(-c2nc(C(=O)[C@H](C#N)c3ccccn3)c(C)[nH]2)c1 91438962 HGRHWKWCRVYJFE-OAHLLOKOSA-N 332.363 3.279 30 40 EGEB N#Cc1cnc(N2CCC[C@@H]2c2nnc3n2CCCCC3)c(Cl)c1 69624383 JRIVPPIJMSDBOU-CQSZACIVSA-N 342.834 3.266 30 40 EGEB CC1=CC(=O)C(C(C)C)=C/C1=N/OC(=O)c1ccc([N+](=O)[O-])cc1 33797819 RZPHOTZWSNEMTP-SDXDJHTJSA-N 328.324 3.219 30 40 EGEB CCOC(=O)c1sc(NC(=O)c2ccnn2C(C)C)c(C#N)c1C 36701778 YJEITSXKQNYAAJ-UHFFFAOYSA-N 346.412 3.135 30 40 EGEB CC(C)(C)OC(=O)NC1CCN(c2ccc(Cl)c(C#N)n2)CC1 77192205 VYGURJVSAOGPFG-UHFFFAOYSA-N 336.823 3.100 30 40 EGEB COC(=O)c1cc(CNc2nc(C(F)(F)F)ccc2C#N)oc1C 96406511 WCGUKUWSJRNHCT-UHFFFAOYSA-N 339.273 3.272 30 40 EGEB COc1ccc(-c2nnc(S)n2/N=C\c2ccc(C)s2)cc1 1300164 CATSYAPQYAXXMN-SXGWCWSVSA-N 330.438 3.495 30 40 EGEB C=C1C(=O)O[C@H]2C[C@H]1[C@@H](O)C/C(C)=C/CC/C(C)=C/[C@@H](O)C[C@H]2C 5181413 GQTPRLWQZDUWKJ-ZQVCKWATSA-N 334.456 3.299 30 40 EGEB COc1cc(NC(=O)CNc2ccc(C#N)cc2)c(OC)cc1Cl 11549473 IICDPNNKXYJQJM-UHFFFAOYSA-N 345.786 3.279 30 40 EGEB N/C(=N/c1nc(-c2ccccc2)cc(=O)[nH]1)Nc1ccc(Cl)cc1 17071166 CRYGWIJMBZPLCD-UHFFFAOYSA-N 339.786 3.149 30 40 EGEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4CCC[C@]4(C)CC[C@@H]32)[C@@H]1O 2049251863 LGMXWRFZIGLDKL-LHJPTJQPSA-N 346.467 3.421 30 40 EGEB CCOC(=O)c1c(NC(C)=O)sc2c(Cl)c(/C=N/O)ccc12 53354 XGIACSOYPQZQSD-OMCISZLKSA-N 340.788 3.498 30 40 EGEB C=CCON1C(=O)CN(C(=O)Nc2ccccc2)[C@@H]1c1ccccc1 3666018 LNGZJZMHGWRIOJ-SFHVURJKSA-N 337.379 3.179 30 40 EGEB C[C@]12CN(C(=O)c3cccc([N+](=O)[O-])c3)[C@]3(C#N)C[C@H]1CC[C@@]23C 100920908 VVPWYMMLGFSQBL-QCSYZSNVSA-N 325.368 3.139 30 40 EGEB C[C@@H](Oc1cccc(C#N)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 12909323 PBICLQNIQNONEM-LLVKDONJSA-N 325.755 3.489 30 40 EGEB N#CC1(NC(=O)CSc2nnc(-c3ccccc3)o2)CCCCC1 5021173 ATAVLHJGNQASCM-UHFFFAOYSA-N 342.424 3.171 30 40 EGEB C=CCNC(=O)CSc1nc2c(n1-c1ccccc1)CCCC2 5267389 QQMYGMZEDQVWGU-UHFFFAOYSA-N 327.453 3.145 30 40 EGEB CN(CCC#N)C(=O)CSc1nc2cc(Cl)ccc2s1 5780469 IJESFCXUTZKUDU-UHFFFAOYSA-N 325.846 3.414 30 40 EGEB O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1cccnc1)n1ncnc1N2 18197308 JMLDQNCADHTWMO-PXAZEXFGSA-N 349.419 3.150 30 40 EGEB COc1ccccc1CN/N=C(\C)c1ccc(OC)c([N+](=O)[O-])c1 20762368 ZVRNUAPCYUKFFB-XDHOZWIPSA-N 329.356 3.126 30 40 EGEB O=[N+]([O-])c1ccc(N2CCCCC2)cc1N/N=C1\CN2CCC1CC2 66344469 GOTHDHUGQHCOTF-LVZFUZTISA-N 343.431 3.079 30 40 EGEB C=CCOc1c(Cl)cc(Cl)cc1C=C(C(=O)OC)C(=O)OC 409050328 UPDRCIHEPIHABE-UHFFFAOYSA-N 345.178 3.288 30 40 EGEB N#C[C@H]1CCCC[C@H]1OC(=O)CCC(=O)c1ccc2c(c1)OCCO2 78612121 KLZPWYKFUJOOPO-GDBMZVCRSA-N 343.379 3.046 30 40 EGEB CCN(Cc1ccccc1)c1nn(-c2ccc([N+](=O)[O-])cc2)nc1C#N 256047228 LFYMHHSZJHQQIA-UHFFFAOYSA-N 348.366 3.074 30 40 EGEB COC(=O)c1ccc(NC(=S)N/N=C/c2ccccc2C)cc1 138696 CKFGBOSTQGAFKJ-WOJGMQOQSA-N 327.409 3.102 30 40 EGEB COc1ccc(C(=O)NC(=S)Nc2sc(C)c(C)c2C#N)cc1 14257824 FPVCZBDTMLOQTI-UHFFFAOYSA-N 345.449 3.372 30 40 EGEB CCO[C@@H]1Oc2ccccc2C(=O)/C1=C/Nc1ccc(C(=O)O)cc1 19144708 YBJQSGSYCDFEEH-ILCZHQDMSA-N 339.347 3.319 30 40 EGEB N#Cc1cccc(NC(=O)Cn2c(-c3cccs3)n[nH]c2=S)c1 11372867 HVFXFEBLFCPLQJ-UHFFFAOYSA-N 341.421 3.180 30 40 EGEB COC(=O)Cc1ccc2c(c1)[C@@H]1O[C@H](C)CC[C@H]1[C@](C)(CCC=O)O2 2037873405 HZECZCIALPUOJC-MPRPZVOOSA-N 346.423 3.389 30 40 EGEB Cc1cccc(OC[C@H]2CCCN(C(=O)c3cccc(C#N)c3)C2)n1 1775969595 ZPZYSJTYTFAJMO-KRWDZBQOSA-N 335.407 3.193 30 40 EGEB C#C[C@](C)(CC)NC(=O)c1cc2cc(Br)ccc2oc1=O 99819 CGOOIZIIJMLJDB-MRXNPFEDSA-N 348.196 3.087 30 40 EGEB C[C@H](OC[C@@H]1CCCCO1)C(=O)Nc1cc(C#N)cn1C(C)(C)C 78665236 JMFDTJMRJNEBPK-ZFWWWQNUSA-N 333.432 3.027 30 40 EGEB C=C1[C@H](C(=O)Nc2ccc(F)cc2)[C@H]1C(=O)Nc1ccc(F)cc1 1012199 KGZKFWUCNXIMMX-HOTGVXAUSA-N 328.318 3.344 30 40 EGEB C/C(=N\Nc1nc(=O)c(C(C)(C)C)n[nH]1)c1c(C)cc(C)cc1C 28114272 IRKAEYOWBYJTEP-DEDYPNTBSA-N 327.432 3.224 30 40 EGEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccnc1 19867146 IGXCTQSBKPSGCN-KRWDZBQOSA-N 326.396 3.003 30 40 EGEB CSc1nc(O)c(C(=O)N(C)[C@@H](C)Cc2ccsc2)cc1C#N 81805094 UDTUQJUNIVBGBO-JTQLQIEISA-N 347.465 3.145 30 40 EGEB Cc1nnc(S[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)s1 97047670 ILKRAPFHJYGGIO-ZDUSSCGKSA-N 330.438 3.006 30 40 EGEB CC[C@H](C)[C@H](NC(=O)/C=C/c1cccc(C#N)c1)C(=O)OC(C)(C)C 95436590 FVUGEBYORBOXGD-QUMLYMBLSA-N 342.439 3.444 30 40 EGEB CC[S@@](=O)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 89104772 ZJZSXDCDQKIZHD-QHCPKHFHSA-N 329.421 3.414 30 40 EGEB O=[N+]([O-])c1ccc(N/N=C\c2cc(Cl)ccc2O)c([N+](=O)[O-])c1 408934420 ANUIGPZMUNGQII-CHHVJCJISA-N 336.691 3.308 30 40 EGEB O=C1CSC(=S)N1/N=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 33759561 GYHYNFOSQXYBHP-CHHVJCJISA-N 347.377 3.049 30 40 EGEB CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1ccc(C#N)cc1 74467485 QJXLACMFFJXCKP-UHFFFAOYSA-N 325.315 3.306 30 40 EGEB Cc1csc([C@@H](C#N)C(=O)c2ccc(OC3CCOCC3)cc2)n1 76763912 OJENVCWXGCXHCL-INIZCTEOSA-N 342.420 3.499 30 40 EGEB N#Cc1nn(-c2ccc(Br)cc2)nc1N1CCCCCC1 256048104 QSZJEHFQMKPOJH-UHFFFAOYSA-N 346.232 3.282 30 40 EGEB C=CCN(CCc1ccccc1)C(=O)c1cccc(N2CCNC2=O)c1 58277806 ARPYJZFNBOUOGM-UHFFFAOYSA-N 349.434 3.087 30 40 EGEB Cc1cc(/C=N\n2cnnc2)c(C)n1-c1cccc(Br)c1 317567 LRVLKJXULXXBSU-UWVJOHFNSA-N 344.216 3.330 30 40 EGEB Cc1ccc(NC(=O)C[C@H]2S/C(=N\c3ccccc3)NC2=O)cc1 12447817 HBUIQCCWSMTCGW-OAHLLOKOSA-N 339.420 3.243 30 40 EGEB CC/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(O)c(O)c1 17429702 ATGVLEMUUMRBSY-WJDWOHSUSA-N 346.299 3.140 30 40 EGEB CCc1ccc([C@H]2C3=C(Nc4ncnn42)c2ccccc2C3=O)cc1 5389385 LGMKOJMYLKFQTJ-SFHVURJKSA-N 328.375 3.463 30 40 EGEB COc1ccc(C(=O)/C=C2/Nc3ccc(C)cc3OC2=O)cc1OC 100224319 SQAAZZNXBQPNPJ-GXDHUFHOSA-N 339.347 3.110 30 40 EGEB COc1ccc(OC)c(-n2c(N)c(C#N)c3nc4ccccc4nc32)c1 500483 HLVNGLYEHIQATA-UHFFFAOYSA-N 345.362 3.045 30 40 EGEB N#C[C@@H](C(=O)/C=C/c1cccc(Cl)c1)C(=O)NCc1ccccc1 103503550 WASNCOHTEWYAQO-FVNWOWOISA-N 338.794 3.378 30 40 EGEB O=C1NCCC/C1=N\Nc1cc(OCc2ccccc2)ccc1F 103766205 MXTRUWVQPHFAML-LTGZKZEYSA-N 327.359 3.083 30 40 EGEB C=CCNC(=O)c1cc2c(=O)c3ccccc3oc2nc1C(F)(F)F 3015967 VQFUAPWITWTNGM-UHFFFAOYSA-N 348.280 3.276 30 40 EGEB COC(=O)CC[C@@H]1C(C)=CC(=O)[C@@]2(F)[C@H]1CCC1=CC(=O)C=C[C@@]12C 104045747 YYGFGDBKJXEDKK-LPWQTFTOSA-N 346.398 3.275 30 40 EGEB Cc1ccc(C)n1-c1nc(CC(=O)NC2(C#N)CCCC2)cs1 84191487 YYMITUZYVWBHMR-UHFFFAOYSA-N 328.441 3.046 30 40 EGEB COC(=O)c1ccc(/N=C/c2ccc(O[C@@H](C)C(=O)O)cc2)c(C)c1 59248006 ISHCSRKNHQVXMS-HSWQHBDASA-N 341.363 3.384 30 40 EGEB CCCCN/C(S)=C(/C(=O)c1ccc(OC)cc1)[n+]1ccccc1 12622981 KQLJONPXFMFTTB-UHFFFAOYSA-O 343.472 3.311 30 40 EGEB COc1cc(C)ccc1OC/C(O)=N/S(=O)(=O)C1CCCCC1 58074948 CKZFEJGTSYVYRD-UHFFFAOYSA-N 341.429 3.001 30 40 EGEB C=CCCC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 58393154 YMXCZKYVDCWEIG-UHFFFAOYSA-N 341.238 3.244 30 40 EGEB C/C(=C1\C(=O)C[C@H]2[C@@H]1C2(C)C)N1CCN(c2ccc(F)cc2)CC1 2407110 FHRJLIBVKIONQH-LXPCWFNBSA-N 328.431 3.467 30 40 EGEB N#Cc1ccc(C(=O)OCC(=O)c2ccc(OC(F)F)cc2)cc1 3525417 QCDHOIROKRVNKA-UHFFFAOYSA-N 331.274 3.199 30 40 EGEB C[C@H](NCC(=O)Nc1sc2c(c1C#N)CCC2)c1cccs1 14184885 FKXVUXRKFZULIB-JTQLQIEISA-N 331.466 3.459 30 40 EGEB CC(C)CCCCCOc1ccc(C/C(N)=N\n2cnnc2)cc1 5689911 QUSNYRAKLJXCJY-UHFFFAOYSA-N 329.448 3.236 30 40 EGEB COc1ccc(-c2nnc(SC[C@@H](C#N)CCC#N)n2C)cc1 7205795 NTYRWARTRBFXBO-GFCCVEGCSA-N 327.413 3.026 30 40 EGEB CC(C)(NCC(=O)Nc1cc(Cl)ccc1C#N)c1nccs1 72662327 JVYPBOOBRMFSRM-UHFFFAOYSA-N 334.832 3.132 30 40 EGEB C=CCOc1ccc(C(=O)Nc2ccc3c(c2)sc(=O)n3C)cc1 225057452 TXOYYNYGMJSVRY-UHFFFAOYSA-N 340.404 3.417 30 40 EGEB CC(C)n1cnc(S(=O)(=O)/N=C(\O)C2(Cc3ccccc3)CC2)c1 92717453 BXVULOKQYKBDLD-UHFFFAOYSA-N 347.440 3.132 30 40 EGEB CCc1cc(N2CCC(Nc3ccc(C#N)cc3F)CC2)ncn1 96449461 HWECVVODRNMETM-UHFFFAOYSA-N 325.391 3.131 30 40 EGEB C[C@H](C=C1CCN(C(=O)OCc2ccccc2)CC1)[C@@H](C)C(=O)NO 257247159 IXSRXDKUAIYCID-HUUCEWRRSA-N 346.427 3.123 30 40 EGEB N#Cc1ccnc(OC[C@H]2CCCN(c3cc(C4CCC4)ncn3)C2)c1 1776007883 JXBSFGLEXXKIJP-INIZCTEOSA-N 349.438 3.306 30 40 EGEB Cc1ccc(/N=C2\C(=O)N(CN3CCOCC3)c3ccccc32)cc1C 16311862 JNVHBSWJEJVICB-XDOYNYLZSA-N 349.434 3.061 30 40 EGEB CCOC(=O)/C(=C\c1ccc(OC(=O)c2ccccc2)cc1)C(C)=O 6179641 SLTVINUBWFBHBB-AQTBWJFISA-N 338.359 3.441 30 40 EGEB C/C(=C\CC[C@H](C)C1=CC[C@]2(C)OC3=C(C[C@H]12)C(=O)[C@H](O)CC3)CO 238764741 KOATXBNOVXBDJE-VNZFQZMUSA-N 346.467 3.445 30 40 EGEB biogenic,in-vitro N#C[C@]1(Nc2cccc(Br)c2)C(=O)Nc2ccccc21 549432 KWLLOZQKTMTYOZ-OAHLLOKOSA-N 328.169 3.232 30 40 EGEB N#C[C@@H](C(=O)Nc1ccccc1)C(=O)c1ccc(Br)cc1 103504162 MENDLHVWHRKUCC-CQSZACIVSA-N 343.180 3.410 30 40 EGEB Cc1cc(C)c(C#N)c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n1 61365 QPHAEEOTVNEZFP-UHFFFAOYSA-N 342.380 3.209 30 40 EGEB C=CCNCc1nc(NCC=C)c2c(C)c(C(=O)OCC)sc2n1 3255091 XZSMHIMQECXRQM-UHFFFAOYSA-N 346.456 3.050 30 40 EGEB N#Cc1cccnc1N1CCO[C@H](c2ccc(Br)cc2)C1 58434597 BWYBRGXFQKUVDF-HNNXBMFYSA-N 344.212 3.294 30 40 EGEB CCOc1cc(/C=N/Nc2nncc(-c3ccccc3)n2)ccc1O 4476784 PKCKIOWTYKFSPM-YBFXNURJSA-N 335.367 3.089 30 40 EGEB N#Cc1ccc(/C=C/c2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cc1 14180766 HBUWJYCVRCEJSU-ZHACJKMWSA-N 339.358 3.151 30 40 EGEB C[C@@](C#N)(CCc1ccccc1)NC(=O)c1ccc2c(c1)OCCO2 69776128 HJXHPXQXDBWJCU-FQEVSTJZSA-N 336.391 3.103 30 40 EGEB O=[N+]([O-])c1cc(Cl)cc(/C=N/C[C@H]2COc3ccccc3O2)c1O 97931232 SWDVQFXOZBEUQK-KXKLRXOYSA-N 348.742 3.213 30 40 EGEB COc1ccc(CN2CC[C@H](CNc3ncccc3C#N)C2)cc1F 65498649 QXKUAOHZLFNTCD-OAHLLOKOSA-N 340.402 3.035 30 40 EGEB Cc1ccc(N=C[C@@H]2C(=O)NC(=O)N(c3ccccc3C)C2=O)c(C)c1 408536910 TYWGXBDKDMKALQ-OAHLLOKOSA-N 349.390 3.213 30 40 EGEB COc1cc(OC)c2ncc(C#N)c(S[C@@H]3CCO[C@@H]3C)c2c1 252483323 DZABMKMVMVAUQE-MEBBXXQBSA-N 330.409 3.393 30 40 EGEB CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1B1OC(C)(C)C(C)(C)O1 953089935 GTXYXMHSGVXMDQ-SNVBAGLBSA-N 333.184 3.263 30 40 EGEB COc1ccc2c(c1)OC[C@H](C(=O)[C@H](C#N)c1nc3ccccc3o1)C2 50206474 NCOVBCUKAOHIPU-HIFRSBDPSA-N 348.358 3.264 30 40 EGEB CN(C)c1cc[n+](/C=C/C(=O)c2ccc(Br)cc2)cc1 4276992 JMMHNSUKHXZFCF-FMIVXFBMSA-N 332.221 3.156 30 40 EGEB COc1cc(C#N)ccc1OCc1nc(N)c2c(C)c(C)sc2n1 12401411 VCTVPGUXOOLHNP-UHFFFAOYSA-N 340.408 3.350 30 40 EGEB CC(C)(C#N)CCCS(=O)(=O)c1nccn1-c1cccc(F)c1 78987325 SQOFZLOIDPKZMF-UHFFFAOYSA-N 335.404 3.115 30 40 EGEB CN(C)CCO/N=C(\c1ccc(Br)cc1)c1cccnc1 1951888 IGOFEQMFUSBFNM-KNTRCKAVSA-N 348.244 3.175 30 40 EGEB C[N+](C)(C)CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 1821199 BUISTPHOBZKKLE-UHFFFAOYSA-O 331.823 3.216 30 40 EGEB Cc1cc(NC(=O)/C=C/c2ccccc2OC(F)F)n(CCC#N)n1 58224970 SNRXGSXUPSXLCM-BQYQJAHWSA-N 346.337 3.359 30 40 EGEB CC1(C)CC(=O)C2=C(C1)N(C1CCCCC1)C(=O)[C@@]2(O)C(F)(F)F 2399214 YSIKFBDMPKHKGN-MRXNPFEDSA-N 345.361 3.098 30 40 EGEB C#Cc1cccc(N(Cc2cccs2)C(=O)Cc2nnc(C)o2)c1 170846121 BANKEUOMXFWDIO-UHFFFAOYSA-N 337.404 3.197 30 40 EGEB Cc1ccc(NC(=O)COC(=O)c2ccc(OCC#N)cc2)cc1C 3412529 NIPXSONOWMIXJS-UHFFFAOYSA-N 338.363 3.001 30 40 EGEB C/N=C(\S)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 13555130 SRROTGVKHLTQEM-FRKPEAEDSA-N 338.776 3.347 30 40 EGEB C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1cccc(Cl)c1)CC(=O)N2 4944237 UUXNPLBVTYKDHK-NSHDSACASA-N 347.827 3.176 30 40 EGEB C[C@@H](NC[C@H](c1cccs1)N1CCOCC1)c1ccc(C#N)cc1 72287938 QMGLUPVGKNJVMS-CRAIPNDOSA-N 341.480 3.344 30 40 EGEB N#CC1(NC(=O)CN2CCc3sccc3[C@@H]2C2CC2)CCCC1 7880181 MGYXWYIZLNTXDB-KRWDZBQOSA-N 329.469 3.010 30 40 EGEB C=CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 8734122 YNZYLMOSFMRVIW-UHFFFAOYSA-N 333.409 3.085 30 40 EGEB COc1ccc([C@@H](C#N)NC(=O)[C@@H](C)c2ccsc2)c(OC)c1 95399365 DUVURSUWJXNLTC-XHDPSFHLSA-N 330.409 3.250 30 40 EGEB N#Cc1ccc(NC(=O)N2CCOC[C@H]2C2CC2)cc1C(F)(F)F 89872055 OPIZWEWFMDXFAM-AWEZNQCLSA-N 339.317 3.220 30 40 EGEB COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2ccncc2)S1 408861499 SDJHQSAQAKKVFL-GDNBJRDFSA-N 325.393 3.290 30 40 EGEB C[C@@H](CC#N)NC(=O)Nc1cccc(C(=O)NCc2ccccc2)c1 120420362 WMAVHFONLJFVMY-AWEZNQCLSA-N 336.395 3.040 30 40 EGEB COc1ccc(C2=NO[C@H](C/N=C(/O)[C@H]3Cc4ccccc43)C2)cc1 330033264 YKCHLDUIOBCMNP-WMZOPIPTSA-N 336.391 3.485 30 40 EGEB N#CC1(CSc2ncc(CO)n2Cc2cccc(F)c2)CCC1 591130295 LAMRKMUIRFLCDI-UHFFFAOYSA-N 331.416 3.349 30 40 EGEB N#C[C@H](NC(=O)CCCn1cccc1)c1cccc(Br)c1 95979682 PGOUULOYAARHCP-HNNXBMFYSA-N 346.228 3.412 30 40 EGEB COc1cc(C#N)ccc1OC(=O)c1cnc2c(cnn2C(C)C)c1 14711702 QAJVEJWNMKQKKA-UHFFFAOYSA-N 336.351 3.112 30 40 EGEB N#CCSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1 5213131 YCEZMQQGJOJJJM-UHFFFAOYSA-N 331.784 3.307 30 40 EGEB N#Cc1nc(COc2ccc(Br)cc2)oc1N1CCCC1 200341 OPDRHPOXBMWTHB-UHFFFAOYSA-N 348.200 3.488 30 40 EGEB C=CCc1ccc(OC[C@@H](O)CN2[C@H](C)CCC[C@H]2C)c(OC)c1 4173840 BUXZZUGYOMPIKM-NUJGCVRESA-N 333.472 3.426 30 40 EGEB C#CCOc1ccc(OC)cc1/C=N/NCc1ccccc1Cl 8811303 KLQXGDSLNANNSV-FYJGNVAPSA-N 328.799 3.484 30 40 EGEB CC(C)n1cnnc1[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C#N)c2)C1 97144883 ATGLOACUSFCCEE-CYBMUJFWSA-N 340.387 3.023 30 40 EGEB Cc1noc(C)c1CO/N=C(/N)COc1ccc(Cl)cc1Cl 60454382 RMZMLTSHANTSAS-UHFFFAOYSA-N 344.198 3.466 30 40 EGEB N#Cc1ccc(CCC(=O)O[C@@H](C(=O)NC2CC2)c2ccccc2)cc1 12958568 YUGCQTQWWMYZSK-HXUWFJFHSA-N 348.402 3.054 30 40 EGEB C=CCNC(=O)COc1ccccc1CNc1ccc(OCC)cc1 6319186 GWOCOZUWFOIYQM-UHFFFAOYSA-N 340.423 3.378 30 40 EGEB O=C(C[C@@H]1S/C(=N\c2ccccc2)NC1=O)Nc1ccccc1F 6473720 HBVHOQOZTDXNDV-AWEZNQCLSA-N 343.383 3.074 30 40 EGEB C=CCSc1nnc(NC(=O)c2cc(OC)cc(OC)c2)s1 6705759 RDOFSIXKJXSLQK-UHFFFAOYSA-N 337.426 3.086 30 40 EGEB Cc1ccccc1C/C(O)=N/S(=O)(=O)c1cccc2ncccc12 75127659 HRRDETSNCUATQQ-UHFFFAOYSA-N 340.404 3.431 30 40 EGEB C=CCNC(=O)[C@@H]1[C@@H]2[C@H]1CC[C@@]21CC(=O)c2cc(Cl)ccc2O1 72334232 VBHRUMJEJJKFRF-TWUUUVDRSA-N 331.799 3.002 30 40 EGEB COc1cc(/C=N\O)cc(Br)c1OCc1cccnc1 216845686 DLJVJSGBSKHWJU-IUXPMGMMSA-N 337.173 3.240 30 40 EGEB COc1ccc(Cn2nc(Cc3ccccc3F)c(C#N)c2N)cc1 225847876 SYGFAISVXAPHIV-UHFFFAOYSA-N 336.370 3.124 30 40 EGEB C=CCNC(=O)c1ccc(OC)c(COc2cccc(OC)c2)c1 224249622 ZCALFHPBOGDOJX-UHFFFAOYSA-N 327.380 3.199 30 40 EGEB C=CCN(CC(F)(F)F)C(=O)[C@H](C)c1ccc2c(c1)OCCO2 68672936 NYIFSLHHRVFCJZ-LLVKDONJSA-N 329.318 3.138 30 40 EGEB COC(=O)[C@@H](C)[C@@H](NC(=O)Nc1cccc(C#N)c1)c1ccccc1 75106690 NOZCKJNBTINBHW-SUMWQHHRSA-N 337.379 3.230 30 40 EGEB N#CCc1cc(F)c(I)c(Br)c1 169797938 HTDUMBAQKJISLF-UHFFFAOYSA-N 339.933 3.259 30 40 EGEB COc1cccc(/C=N/NC(N)=S)c1OCc1cccc(Cl)c1 13545775 GHYNVHHGNITEER-DJKKODMXSA-N 349.843 3.095 30 40 EGEB N#Cc1ccc(CCC(=O)NCc2cccnc2-c2cccnc2)cc1 238892899 QUGODEWLGOCDHT-UHFFFAOYSA-N 342.402 3.264 30 40 EGEB C[C@@](O)(CNC(=O)c1cccc(C#N)c1)c1cc2ccccc2s1 217498786 UPTWUBBYQIXIDL-LJQANCHMSA-N 336.416 3.410 30 40 EGEB N#Cc1ccc(OCC(=O)c2ccc3c(c2)CCC(=O)N3)c(Cl)c1 40464888 UJIRWTPBKDBGIQ-UHFFFAOYSA-N 340.766 3.358 30 40 EGEB N#Cc1ccc(N2CCO[C@@H](c3ccc(Br)cc3)C2)nc1 58141994 ZGDMPEFRLPLCBV-OAHLLOKOSA-N 344.212 3.294 30 40 EGEB N#CC1(C#N)[C@@H](c2ccccc2)O[C@@]23CCCC[C@@H]2[C@@]1(C#N)C(=N)O3 102714801 WZLSMMJVGMRTON-VVWQDTPRSA-N 332.363 3.195 30 40 EGEB N#Cc1cccc([C@@H](NCc2cccc(Cl)c2)P(=O)(O)O)c1 13004736 RMDOEWZYQLTTST-HNNXBMFYSA-N 336.715 3.178 30 40 EGEB CC1=C(C(=O)c2ccccc2)[C@H](c2ccccc2[N+](=O)[O-])NC(=O)N1 6755152 UIFVWQDHJJJUTJ-INIZCTEOSA-N 337.335 3.106 30 40 EGEB CCC[C@H](C)c1cc(NS(=O)(=O)Cc2ccc(C#N)cc2)[nH]n1 95448012 UCSPMTTVEHTSBW-LBPRGKRZSA-N 332.429 3.127 30 40 EGEB C[C@H]1CN([C@@H](CNCc2ccc(C#N)cc2)c2cccs2)CCO1 75603936 JPFGQWPRABLDFA-YJBOKZPZSA-N 341.480 3.171 30 40 EGEB C=CCn1c(SC2CCOCC2)nnc1-c1cccc(OC)c1 128876386 QGECNHYBDWHWAZ-UHFFFAOYSA-N 331.441 3.411 30 40 EGEB COc1ccc([C@H](C#N)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1 66088527 ITXWNGCYHJQWFP-HNNXBMFYSA-N 341.363 3.211 30 40 EGEB COC[C@]1(C#N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(C)cc1 218360743 FKTFUAWAFDBREG-FHWLQOOXSA-N 341.432 3.091 30 40 EGEB C=CCO[C@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1oc2ccccc2c1C 96042058 IQUQRKCQIIPSMA-VDZJLULYSA-N 341.407 3.316 30 40 EGEB COc1cc(OC)c(OC)cc1/C=C/C(=O)c1csc(C(=O)O)c1 96404605 DQOIOHJVSYFVRT-SNAWJCMRSA-N 348.376 3.368 30 40 EGEB O=C(OCCCC(F)(F)C(F)(F)Br)C(F)(F)F 1083809760 FLJVMOOVKXWGIG-UHFFFAOYSA-N 335.013 3.495 30 40 EGEB O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)n1ccnc1 1565680832 MIHHBEIYJJPHKZ-UHFFFAOYSA-N 326.143 3.039 30 40 EGEB Cc1nc(C(=O)OC[C@@H](C#N)Cc2ccc(F)cc2)c2ccccn12 76090096 XVWIVIHHFCAGSW-OAHLLOKOSA-N 337.354 3.321 30 40 EGEB C=CCOc1ccccc1CNC(=O)N(C)Cc1c(C)noc1C 78926228 QFWSJYZFJPIODD-UHFFFAOYSA-N 329.400 3.198 30 40 EGEB C/N=C1\S/C(=C/c2cc(C)n(-c3ccncc3)c2C)C(=O)N1C 13207295 IAOYRUQXHIFXFE-RUCSPORFSA-N 326.425 3.021 30 40 EGEB CC(C)N(C(=O)CO/N=C/c1ccc2c(c1)OCO2)c1ccccc1 7786203 NOYMCYHFAGBMII-RGVLZGJSSA-N 340.379 3.207 30 40 EGEB Cc1cncc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)ccc2C)c1 101715035 WISSOVSPQSIXGI-AWEZNQCLSA-N 327.771 3.313 30 40 EGEB N#C[C@@]1(NC(=O)/C=C/c2cc(Br)cs2)CCSC1 79860946 PWYFRCRTKSRREA-ISUDXETCSA-N 343.271 3.039 30 40 EGEB C#C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)Nc1cccc(SC)c1 8254614 WZUGEQTVBPESNO-OFQRWUPVSA-N 345.537 3.039 30 40 EGEB biogenic,in-vitro Cc1cc(C(F)(F)F)c(C#N)c(=O)n1Cc1ccc(Cl)nc1 1387154 PWQZXFOXNASUOU-UHFFFAOYSA-N 327.693 3.144 30 40 EGEB Cc1cc(NC(=O)Cc2ccc(C(F)(F)F)cc2)n(CCC#N)n1 58289355 RDPUYJCQAOXHLD-UHFFFAOYSA-N 336.317 3.305 30 40 EGEB C=CCN(CC=C)C(=S)NC(=O)c1ccccc1Br 2136612 BOWVHRBJKNFXHE-UHFFFAOYSA-N 339.258 3.138 30 40 EGEB CC(C)[C@H](C)NC(=O)CNc1ccc(OCC(F)(F)F)c(C#N)c1 55849669 SKPNKTXYCNKSJV-NSHDSACASA-N 343.349 3.072 30 40 EGEB C=C(C)CN1CCC(NC(=O)N[C@H]2CCCC[C@@H]2C(F)(F)F)CC1 72268205 GFIWBOQBGVXRKM-GJZGRUSLSA-N 347.425 3.447 30 40 EGEB CCCc1cc(O)nc(S[C@H](C)C(=O)Nc2ccccc2C#N)n1 11443470 VEZWGUPCGAPKJM-LLVKDONJSA-N 342.424 3.126 30 40 EGEB COc1ccc(C=Nn2c(O)nc3ccccc3c2=O)c2ccccc12 409359693 NLXOLFIEPZZBBU-UHFFFAOYSA-N 345.358 3.146 30 40 EGEB N#Cc1cccc(OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 6084992 FDZHCDDEJYCUAT-UHFFFAOYSA-N 331.715 3.137 30 40 EGEB N#CCNC(=O)c1ccc(-c2ccc(Br)s2)s1 96008063 YHBSDMATIXJISK-UHFFFAOYSA-N 327.228 3.492 30 40 EGEB C=CCN(Cc1ccccc1)C(=O)c1ccc(N2CCOC2=O)cc1 65551503 VPZYEWAYDMHGSN-UHFFFAOYSA-N 336.391 3.472 30 40 EGEB COc1ccc(CN(C)/C(C)=C/C(=O)C(F)(F)F)c(OC)c1OC 6585642 JQPNCQLFFMSCKZ-CSKARUKUSA-N 347.333 3.179 30 40 EGEB N#Cc1c(NC(=O)N(CCO)Cc2ccccc2)sc2c1CCC2 6662039 JTWNIHFVMIIUKU-UHFFFAOYSA-N 341.436 3.135 30 40 EGEB C[C@H](c1ccc(C#N)cc1)N1CCO[C@H](c2nc(C(C)(C)C)n[nH]2)C1 76050001 LJWDFRSMRBMWJE-CJNGLKHVSA-N 339.443 3.108 30 40 EGEB C=CCOc1ccc(NC(=O)C2(NC(=O)OC(C)(C)C)CC2)cc1 225927499 CFVMEXWPDANRGR-UHFFFAOYSA-N 332.400 3.247 30 40 EGEB Cn1cc(Oc2ccccc2C(=O)N2CCc3ccc(C#N)cc32)cn1 225753199 KODWPWADOOWMJN-UHFFFAOYSA-N 344.374 3.287 30 40 EGEB COC(C)(C)CCOc1c(N)cc(C#N)n1Cc1cccc(C)c1 225878215 ANSVWNFCECMACK-UHFFFAOYSA-N 327.428 3.493 30 40 EGEB CC[C@H](C#N)S(=O)(=O)N[C@@H](C)c1ccc(F)c(C(F)(F)F)c1 95439858 ORVVOYWYFNZRGP-WCBMZHEXSA-N 338.326 3.127 30 40 EGEB Cc1ccccc1-c1nc(Cn2ncnc2-c2cccc(C#N)c2)no1 95414712 POYXWOSPSNFRRI-UHFFFAOYSA-N 342.362 3.224 30 40 EGEB COc1ccc([C@@H](O)[C@@H](C)Nc2ccc([N+](=O)[O-])c(C#N)c2)cc1 97102098 WGJWHOFHRISVDV-DIFFPNOSSA-N 327.340 3.009 30 40 EGEB N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ccc(-c3ncc[nH]3)cc2)cc1 390834284 VTDVFCDTJQGCQE-QGZVFWFLSA-N 341.374 3.269 30 40 EGEB O=C1CSC(=S)N1/N=C\c1cccc(OCc2ccccc2)c1 5080384 DQRVQERCMMPWIL-ZDLGFXPLSA-N 342.445 3.460 30 40 EGEB CSc1nc2n(n1)[C@@H](c1ccc(F)cc1)C1=C(C[C@@H](C)CC1=O)N2 14165066 JBPANFYMOLTLNF-PSLIRLAXSA-N 344.415 3.407 30 40 EGEB CC(C)N(C(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1)C(C)C 383715043 RFUQJWHNSINVEP-UHFFFAOYSA-N 331.265 3.245 30 40 EGEB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccc(C#N)cc1 7823756 XQAWHXRSEWLBDS-UHFFFAOYSA-N 344.418 3.350 30 40 EGEB CC1=NN(c2ccccc2)C(=N)/C1=N\Nc1ccc2c(c1)OCCO2 100982611 HLWCPTWUQZWKDR-FLEYMXQWSA-N 335.367 3.099 30 40 EGEB N#Cc1ccccc1/C=C/C(=O)NCCCN1CCc2ccccc2C1 32400640 AJUQFIUGSFXKGY-ZHACJKMWSA-N 345.446 3.136 30 40 EGEB C=CCOC(=O)c1nnc2c(-c3ccc(F)cc3)c(CC)nn2c1C 20797702 BZTWYQIHVHERGM-UHFFFAOYSA-N 340.358 3.144 30 40 EGEB COc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)c(OC)c1OC 4510826 BIIUSKGXZFESKT-LICLKQGHSA-N 331.328 3.067 30 40 EGEB COc1ccc(C)cc1NC(=O)[C@H](C)Oc1ccc(C#N)cc1OC 7858418 POHHCJPFJOAVBA-ZDUSSCGKSA-N 340.379 3.290 30 40 EGEB CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)C2(C#N)C#N)cc1 218347361 IXKIGAQOTAFGRF-MSOLQXFVSA-N 336.416 3.222 30 40 EGEB Cc1ncc(S(=O)(=O)N(C)c2ccc(C(C)(C)C)cc2)cc1C#N 331149647 OGXSFFKXCJMHAI-UHFFFAOYSA-N 343.452 3.384 30 40 EGEB COc1ccc([C@H](O)[C@@H](C)Nc2ccc([N+](=O)[O-])c(C#N)c2)cc1 97102102 WGJWHOFHRISVDV-PIGZYNQJSA-N 327.340 3.009 30 40 EGEB C=CCNc1ncc(-c2onc(C)c2CC)c(-c2cnc(C)cn2)n1 12156521 UDRJKGDAROPPDQ-UHFFFAOYSA-N 336.399 3.366 30 40 EGEB C[C@H]1S/C(=N/N=C/c2ccco2)N(Cc2ccc(F)cc2)C1=O 4939292 PUNDVMYMRBBBEF-TWRKLKJHSA-N 331.372 3.273 30 40 EGEB Nc1ccc(C(=O)OC/C(=N/O)c2ccc(Br)cc2)cc1 102519874 QOMISMLDGYAYHX-JXAWBTAJSA-N 349.184 3.067 30 40 EGEB Cc1ccc(/N=C2/CSc3nnc(C(F)(F)F)n3N2)c(C)c1 27028793 LFOGXBLEROLQSE-UHFFFAOYSA-N 327.335 3.293 30 40 EGEB Cn1c(-c2ccccc2)nnc1[C@@H](C#N)C(=O)CCc1ccccc1F 58170992 NKOBBJFEUPVZIR-INIZCTEOSA-N 348.381 3.430 30 40 EGEB CC(C)n1cc(C(=O)/C=C/c2ccc(-n3cncn3)c(F)c2)cn1 58230352 PSOBFOGSGRXMCG-GQCTYLIASA-N 325.347 3.080 30 40 EGEB O=C1CS/C(=N\N=C\c2cccs2)N1Cc1ccc(F)cc1 2194270 BPDBWAAXXDZYBR-FINFXUDSSA-N 333.413 3.353 30 40 EGEB C#CCN1CCC(C(=O)Nc2cccc(Oc3ccccn3)c2)CC1 76068548 GFIBBDCRUPSVBD-UHFFFAOYSA-N 335.407 3.158 30 40 EGEB C[C@@H](CCc1ccc(Br)cc1)NC(=O)CSCC#N 48943088 VGKYPGHBYOXMBZ-NSHDSACASA-N 341.274 3.143 30 40 EGEB COc1cc(Cl)c(C)cc1NCC(=O)NC1(C#N)CCCCC1 39972130 WYZMOLPAPRRUPH-UHFFFAOYSA-N 335.835 3.412 30 40 EGEB Cc1nnc(S)n1/N=C/c1ccc(OCc2ccccc2C#N)cc1 408875319 JKLJVIIJJRPAPU-RGVLZGJSSA-N 349.419 3.208 30 40 EGEB CCNc1ccccc(C(=O)/C=C/c2cccc(OC)c2OC)c1=O 4667357 DXXCJFHMKLUMMI-OUKQBFOZSA-N 339.391 3.392 30 40 EGEB Cc1cc(N/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)nc2ccccc12 6912316 OGZIAYIISFFNQU-UHFFFAOYSA-N 347.334 3.220 30 40 EGEB CCO[C@@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc(OC)cc2)cs1 70017833 VSWPGKJNTJFRKR-SMDDNHRTSA-N 330.409 3.420 30 40 EGEB N#Cc1c(Cl)nsc1N[C@@H](CN1CCOCC1)c1ccccc1 69622845 QKBVFTOBCHAFPM-AWEZNQCLSA-N 348.859 3.154 30 40 EGEB N#Cc1cccc(C(=O)NCC2CCN(Cc3cccs3)CC2)c1 38584405 ZQCZWEDANAEJEG-UHFFFAOYSA-N 339.464 3.262 30 40 EGEB CNC(=O)COc1ccc(/C=C/C(=O)c2ccc(C)s2)cc1OC 44026018 WGSFOYUTKNGCAW-FNORWQNLSA-N 345.420 3.086 30 40 EGEB Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)c3ccc(C#N)cn3)cc2)n1 96449743 XSKISQYVNFYVGJ-OAHLLOKOSA-N 345.406 3.247 30 40 EGEB COc1cc(OC)c2ncc(C#N)c(S[C@H]3CCO[C@@H]3C)c2c1 252483321 DZABMKMVMVAUQE-BMIGLBTASA-N 330.409 3.393 30 40 EGEB CCC[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2cc(C#N)ccc2F)C1 51052917 RMMLDTAWKSEUCN-GDBMZVCRSA-N 331.435 3.214 30 40 EGEB COc1ccccc1[C@@H](C#N)NC(=O)[C@H]1CCN(C2CCCCC2)C1 79016274 GSLGYJKBABWUFG-MAUKXSAKSA-N 341.455 3.031 30 40 EGEB C=CCN1C(=O)/C(=C/c2c(C)nc3sc(C)cn23)SC1=S 12532354 NOXOATOUWZVILG-WDZFZDKYSA-N 335.479 3.400 30 40 EGEB N#Cc1nc(C2CC2)oc1N1CCN(Cc2ccccc2Cl)CC1 29225103 XTTBQDBUCVNUSW-UHFFFAOYSA-N 342.830 3.399 30 40 EGEB CC(=O)c1cnn(-c2cc(Oc3ccc(C#N)cc3)nc(C)n2)c1C 5353022 DECOBRVKKVRMSM-UHFFFAOYSA-N 333.351 3.146 30 40 EGEB COC(=O)[C@](C)(NCc1cccc(C#N)c1)c1cc(F)ccc1F 65607923 MMXGQRLNPPDCEN-GOSISDBHSA-N 330.334 3.014 30 40 EGEB CC[C@H](CC#N)NC(=O)Nc1cccc(Br)c1COC 97141422 GIBHDFPEAFSCRG-SNVBAGLBSA-N 340.221 3.409 30 40 EGEB CN(CC(=O)NC1(C#N)CCCC1)[C@H](c1ccccc1)C(F)(F)F 70015364 SRIANNSVAQFLLR-OAHLLOKOSA-N 339.361 3.174 30 40 EGEB Cc1ccc2nc(C3=C(N)N(c4cccc(C)c4C)CC3=O)[nH]c2c1 8844100 UOHUJJJPSCMQRP-UHFFFAOYSA-N 332.407 3.205 30 40 EGEB COc1cccc(/C=C2\SC(=Nc3ccccc3F)NC2=O)c1O 408862489 KCQWYKVCMRACJN-ZROIWOOFSA-N 344.367 3.432 30 40 EGEB CC[C@H](C#N)S(=O)(=O)N[C@H](C)c1ccc(F)c(C(F)(F)F)c1 95439860 ORVVOYWYFNZRGP-PSASIEDQSA-N 338.326 3.127 30 40 EGEB CC(C)Oc1ccc([C@H](O)CNC(=O)C2(C#N)CCCCC2)cc1 96407904 SFVPMVJLWFGSCN-QGZVFWFLSA-N 330.428 3.097 30 40 EGEB C#CC(C)(C)C(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1 1615604607 ATSDHFXABWUQBZ-UHFFFAOYSA-N 325.368 3.124 30 40 EGEB N#C[C@@H](C(=O)[C@H]1CC(c2cccc(F)c2)=NO1)c1nc2ccccc2[nH]1 48813585 PHNGRQBCPQHXRA-SUMWQHHRSA-N 348.337 3.071 30 40 EGEB Cc1c(/C=N/c2cccnc2)c(=O)n2c([nH]c3ccccc32)c1C#N 1505840499 GCTKVRAKPHOXPH-SSDVNMTOSA-N 327.347 3.107 30 40 EGEB C/C(=C/COc1ccc2ccc(=O)oc2c1)C1=CC(=O)C(C)(C)O1 5068797 OUTLLBZGJYDUQE-WQLSENKSSA-N 326.348 3.380 30 40 EGEB C[C@H]1C[C@@H](C)CN(Cc2ccc(CNC(=O)CSCC#N)cc2)C1 40541073 JFANLMXYYOTHGO-IYBDPMFKSA-N 345.512 3.037 30 40 EGEB CC(C)c1nc(OCC(=O)NCc2ccccc2)c(C#N)c2c1CCC2 32104748 NXYBAZUWKAQYHU-UHFFFAOYSA-N 349.434 3.261 30 40 EGEB N#CCSc1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1 32876778 SSQCHNMSZPADAH-LBPRGKRZSA-N 339.424 3.221 30 40 EGEB N#Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cn1 95447355 CRWNIOBMPJONBA-UHFFFAOYSA-N 328.180 3.061 30 40 EGEB Cc1cc(C)c(S(=O)(=O)N(CCC#N)Cc2cccnc2)c(C)c1 58023284 NVNIUBCOQHVUBM-UHFFFAOYSA-N 343.452 3.111 30 40 EGEB C[C@]12CN(NC(=O)c3ccc(Cl)cc3)[C@]3(C#N)C[C@@H]1CC[C@]23C 100495246 GICLVULQWFFDEX-RUGDWHBFSA-N 329.831 3.389 30 40 EGEB C[C@H](Oc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O)C(=O)O 5307688 XORSCMFVBIBCMW-SYEOYNTFSA-N 328.295 3.294 30 40 EGEB COc1cc(C#N)ccc1O[C@H](C)C(=O)Nc1ccc(Cl)cn1 15354907 PBYFQVYQJWCECB-SNVBAGLBSA-N 331.759 3.021 30 40 EGEB CC(C)(C#N)C(=O)NCCCc1ccc(Br)cc1F 71909351 PQWZSODTGATTRX-UHFFFAOYSA-N 327.197 3.187 30 40 EGEB COc1ccccc1CC(=O)N[C@@H](C#N)c1c(F)cccc1Cl 69697272 DOSUXYXITQXBQO-AWEZNQCLSA-N 332.762 3.411 30 40 EGEB Cc1c([C@@H](C)NC[C@H](O)c2ccco2)cnn1-c1ccc(C#N)cc1 195553451 JKEJZKBTKWTWTI-ACJLOTCBSA-N 336.395 3.030 30 40 EGEB C=CCOc1ccccc1NC(=O)c1cc2c([nH]c1=O)CCCCC2 12204280 DWWSDSGEFVKFOK-UHFFFAOYSA-N 338.407 3.461 30 40 EGEB CCOc1cc(/C=N/O)ccc1OCC(=O)Nc1ccc(C)cc1 13747222 BRBCPSWZKBYJJU-YBFXNURJSA-N 328.368 3.219 30 40 EGEB C=CCC1(CC=C)CCN1C(=O)c1cc(-c2c(C)nn(C)c2C)n[nH]1 12147549 HRNJLSXGKPWWBL-UHFFFAOYSA-N 339.443 3.164 30 40 EGEB CC1CCN([C@H](CNC(=O)CCc2ccc(C#N)cc2)C(C)C)CC1 40089275 RTWPMDRBRYDATL-HXUWFJFHSA-N 341.499 3.364 30 40 EGEB CCCCCCCCn1c(=N)c(C#N)cc2c(=O)n3ccccc3nc21 100896424 GTFCPOIOUVJNNG-UHFFFAOYSA-N 349.438 3.361 30 40 EGEB N#Cc1cc(S(N)(=O)=O)ccc1NCc1csc2ccccc12 78904419 FFLSUOUFJCRWKQ-UHFFFAOYSA-N 343.433 3.032 30 40 EGEB Cc1cccc(NC(=O)CN(C)Cc2ccc(C#N)cc2F)c1C 8986734 XZUSSFOXAWSLQI-UHFFFAOYSA-N 325.387 3.385 30 40 EGEB Cc1nc(N=C2NCN(C3CCCCCC3)CN2)nc2ccccc12 19325308 FXBYMGAJXIOHFV-UHFFFAOYSA-N 338.459 3.058 30 40 EGEB Cc1cccc(N2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)c1 10165824 SDBHOFDHRDBRJM-UHFFFAOYSA-N 333.435 3.148 30 40 EGEB C[C@@]1(c2ccccc2Cl)NC(=O)N(Cc2ccc(C#N)cc2)C1=O 2629667 NATWCYWXRIEKEV-SFHVURJKSA-N 339.782 3.179 30 40 EGEB C=CCN1c2ccccc2NC(=O)[C@H]1CC(=O)Nc1ccc(C)cc1 7987745 YGDDKPCTEBMRRB-GOSISDBHSA-N 335.407 3.337 30 40 EGEB CN(C(=O)Cc1ccc2c(c1)OCO2)c1cc(Cl)ccc1C#N 95418884 VEQPMHHPINEDAK-UHFFFAOYSA-N 328.755 3.146 30 40 EGEB COc1cc(N2CCOCC2)ccc1/C=N/c1ccc(C(C)=O)cc1 409234211 JBOXYDJYICZZGT-KGENOOAVSA-N 338.407 3.485 30 40 EGEB Brc1cc(/C=N/c2ccco2)oc1N1CCOCC1 408859487 YAESWPOTHAPIMD-OQLLNIDSSA-N 325.162 3.222 30 40 EGEB N#C[C@@H](NC(=O)CC[C@@H]1Cc2ccccc2NC1=O)c1ccsc1 69629066 APGVLULAPBLNMB-CZUORRHYSA-N 339.420 3.020 30 40 EGEB CCCOC1(C(=O)Nc2ccc(OC(C)=O)c(C#N)c2)CCCC1 225850935 GFTQYKDFYJUQHI-UHFFFAOYSA-N 330.384 3.161 30 40 EGEB CC(C)OC(=O)C[C@@H]1CCCN(c2ccc(C#N)cc2[N+](=O)[O-])C1 274222637 NYSQRHFMCOARTK-AWEZNQCLSA-N 331.372 3.025 30 40 EGEB C[C@H](SC(=S)N1CCCC1)C(=O)N(CCC#N)c1ccccc1 5287866 QZLAXNSTYIQSNE-AWEZNQCLSA-N 347.509 3.436 30 40 EGEB N#Cc1cccc(NC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)c1 12864961 UGEJITXXRMGCAN-HNNXBMFYSA-N 339.420 3.253 30 40 EGEB O=[N+]([O-])c1ccc(-c2nc(/C=N\N3CCSCC3)cs2)s1 17109365 UAPKWJMIKHIXBN-QPEQYQDCSA-N 340.455 3.163 30 40 EGEB C#CCn1/c(=N/C(=O)c2ccco2)sc2cc(OCC)ccc21 100875917 HLPSMRSSVYSKKB-ZCXUNETKSA-N 326.377 3.069 30 40 EGEB CC1=C(C)C[C@H](C(=O)Nc2sc3c(c2C#N)CCC3)[C@@H](C(=O)O)C1 213896 GNXSJHRLGPQJHL-STQMWFEESA-N 344.436 3.494 30 40 EGEB CC(C)CCNC[C@@H](O)CON=C1c2ccccc2-c2ccccc21 2707478 DNKQFWCNDZMVHS-MRXNPFEDSA-N 338.451 3.433 30 40 EGEB COc1cc(/C=N/NCc2ccccc2Cl)c([N+](=O)[O-])cc1OC 8811517 CLZJYLPGTCHXGG-VXLYETTFSA-N 349.774 3.389 30 40 EGEB COc1ccc(Cl)cc1/C(N)=N/OC(=O)C[C@H]1C[C@@H]2CC[C@@H]1C2 102441413 GRGFNMNUSPLRPH-IJLUTSLNSA-N 336.819 3.338 30 40 EGEB O=C(CO/N=C/c1ccc(OC(F)F)cc1)NC1CCCCCC1 3328829 CTJBNDQQXXQGGR-RGVLZGJSSA-N 340.370 3.478 30 40 EGEB CN(CCC#N)C(=O)COC(=O)c1sc2ccccc2c1Cl 3317665 WGCIBNZSTBSGKD-UHFFFAOYSA-N 336.800 3.084 30 40 EGEB N#Cc1cccc(COc2cccc(NC(=O)N3CCOCC3)c2)c1 48319485 XZATUWUOXSJFGX-UHFFFAOYSA-N 337.379 3.001 30 40 EGEB Cc1csc([C@H]2CN(CCCOc3ccc(C#N)cc3)CCO2)n1 65473903 KIKQMXXYZQFEFF-QGZVFWFLSA-N 343.452 3.166 30 40 EGEB CC(=O)Nc1ccc(/C(C)=N/Nc2ccc(C#N)cc2[N+](=O)[O-])cc1 4519757 KLDLGYPMZDEWSM-RGVLZGJSSA-N 337.339 3.261 30 40 EGEB COc1ccc(C)cc1C(=O)O[C@@H](C)C(=O)Nc1sccc1C#N 7878654 OWPUETBUHIMSIT-NSHDSACASA-N 344.392 3.121 30 40 EGEB O=C(C#Cc1ccccc1)Nc1ccc(CCC(=O)N2CCCC2)cc1 81588697 IZKPOBDMZNSWHA-UHFFFAOYSA-N 346.430 3.232 30 40 EGEB N#C[C@H](NC(=O)c1cc2ccccc2c(=O)[nH]1)c1cccc(Cl)c1 69776538 ILSLJZYZOBTACJ-INIZCTEOSA-N 337.766 3.176 30 40 EGEB Cc1nc(C(=O)N2[C@@H](C)[C@H](c3ccccc3)OC[C@H]2C)ccc1C#N 72275586 OPGOUVZSYIKUNB-FRIZHTMISA-N 335.407 3.252 30 40 EGEB CC(=O)N1C(=O)/C(=C/C(=O)c2ccc(Cl)cc2)c2ccccc21 31870963 ITDAWHHKMOCDRG-XNTDXEJSSA-N 325.751 3.499 30 40 EGEB COCC(=O)Nc1cccc(NCC#Cc2ccc(Cl)cc2)c1 85271448 XJUHZBYOLFWOCK-UHFFFAOYSA-N 328.799 3.389 30 40 EGEB C/N=C(\NCc1ccccc1OC(C)(C)C)NCc1c(C)noc1C 95406716 WTYBLUMWAFHDMP-UHFFFAOYSA-N 344.459 3.334 30 40 EGEB C=C[C@@H]1OCC[C@H]1C(=O)NCCc1c[nH]c2cc(F)c(Cl)cc12 629621276 LAWFNZCYUBDBHG-BZNIZROVSA-N 336.794 3.210 30 40 EGEB N#Cc1cnccc1N1CC[C@]2(NC(=O)C3CCCCC3)CCC[C@@H]12 1069231756 RYFUNNPTYRMBNQ-UYAOXDASSA-N 338.455 3.151 30 40 EGEB CC/N=C1/S/C(=C\c2cccn2-c2ccc(O)cc2)C(=O)N1CC 16577101 WBFVBVGMRKUKIC-MPOVVXLQSA-N 341.436 3.495 30 40 EGEB COC(=O)[C@H](Cc1c[nH]c2ccccc12)/N=C/c1ccc(N(C)C)cc1 19878510 ACACPGYGMINGMI-BOURKTIISA-N 349.434 3.437 30 40 EGEB CC/N=C1/S/C(=C\c2cc(C(=O)O)ccc2Cl)C(=O)N1CC 5523083 WJVHJDURMJMMKE-AKIMYXQNSA-N 338.816 3.350 30 40 EGEB C=CCNc1nc(C(=O)O[C@H](C)C(=O)c2ccc(C)cc2)cs1 5040248 BWEDANSVSQCNCR-GFCCVEGCSA-N 330.409 3.478 30 40 EGEB C/C(O)=N/S(=O)(=O)c1cccnc1Nc1cccc(Cl)c1C 481475 CSYDNAQXSHTNGP-UHFFFAOYSA-N 339.804 3.452 30 40 EGEB N#Cc1c(SCC(N)=O)nnc(-c2ccccc2)c1-c1ccccc1 1106203 HJPBBOAUDSXAJU-UHFFFAOYSA-N 346.415 3.260 30 40 EGEB C=CC[n+]1c(SCC(=O)O)n[nH]c1-c1ccc(C(C)(C)C)cc1 8557526 SFSJFBHOBPJFND-UHFFFAOYSA-O 332.449 3.024 30 40 EGEB Cc1ccccc1CN1CCC(NCc2cc(C#N)n(C)c2C)CC1 58017683 CREKULBVZUKEKZ-UHFFFAOYSA-N 336.483 3.268 30 40 EGEB CCOc1ccc(/C=N/Nc2nnc3c4ccccc4n(C)c3n2)cc1 4457684 HPZFUUNZRNUVDU-UDWIEESQSA-N 346.394 3.361 30 40 EGEB CSc1ccc(/C=N/OCC(=O)Nc2ccc(C#N)cc2)cc1 6508417 JOVXTQAGLZXJFK-YBFXNURJSA-N 325.393 3.269 30 40 EGEB N#Cc1cccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)c1 7268469 OIQYUGADPYICOU-UHFFFAOYSA-N 339.420 3.111 30 40 EGEB Cc1c(CSc2ncc(C#N)c(N)n2)noc1-c1ccc(F)cc1 7371114 AMTVKOWRUKGXEF-UHFFFAOYSA-N 341.371 3.325 30 40 EGEB Cc1ccc(OCc2nc(C#N)c(NCCCn3ccnc3)o2)cc1 17440270 HYCRCMDCKQRMDW-UHFFFAOYSA-N 337.383 3.132 30 40 EGEB C[C@H](C#N)CN(C)C(=O)Nc1cccc(CNC(=O)OC(C)(C)C)c1 69776591 PZCPFCQOTPLOBE-CYBMUJFWSA-N 346.431 3.335 30 40 EGEB CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)C2(C#N)C#N)cc1 218347582 IXKIGAQOTAFGRF-ZWKOTPCHSA-N 336.416 3.222 30 40 EGEB COc1ccc(OC)c(C2=C/C(=N/Nc3ccccc3C)C(=O)O2)c1 408727161 YNHLZWSXWPGHJP-PGMHBOJBSA-N 338.363 3.378 30 40 EGEB C[C@@H]1CCN(C)c2ccccc2N1C(=O)Cc1ccc(OCC#N)cc1 96425361 LJWRWNNTGRSEGQ-MRXNPFEDSA-N 349.434 3.393 30 40 EGEB COCCCNc1nc(Nc2ccc(F)c(Cl)c2)ncc1C#N 143565433 GZKKWPPQNMBUCO-UHFFFAOYSA-N 335.770 3.333 30 40 EGEB Cc1noc(-c2ccccc2)c1C(=O)NCCOc1ccc(C#N)cc1 97373091 KADVPPBAJSWQQF-UHFFFAOYSA-N 347.374 3.331 30 40 EGEB C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1-n1ccnc1 45860158 DHXRMFUILHXFIL-AWEZNQCLSA-N 332.363 3.150 30 40 EGEB CC(=O)N(C(C)=O)c1nc(-c2ccccc2)cn1/N=C/c1ccccc1 240644 JITLJXOHFNJCNJ-FYJGNVAPSA-N 346.390 3.332 30 40 EGEB COC(=O)c1ccc(/C=N\n2c(-c3ccccc3)n[nH]c2=S)cc1 1240548 XRPNKWQGSGJMPO-WQRHYEAKSA-N 338.392 3.276 30 40 EGEB CCC(=O)c1ccc(OCC(=O)[C@H](C#N)c2nc(C)cs2)cc1 23326481 HHOVUCXCNHHOJE-AWEZNQCLSA-N 328.393 3.300 30 40 EGEB COc1ccc(C(=O)O/N=C2/C[C@@H](C)Oc3cc(OC)ccc32)cc1 6930210 RSCASXITTCAXTL-AQNJYJFJSA-N 341.363 3.436 30 40 EGEB O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1Cl)n1nnnc1N2 7778513 KVANEPFIBXAYNS-CYBMUJFWSA-N 336.182 3.002 30 40 EGEB N#Cc1ccc(OCC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 44895735 RZUWTRGUNRFYGL-STQMWFEESA-N 326.318 3.174 30 40 EGEB N#Cc1ccc(C(=O)c2ccc(I)cc2)cc1 2392630 VKAMNLLFHYBPLV-UHFFFAOYSA-N 333.128 3.394 30 40 EGEB C=CCn1c([C@H](NC(=O)c2ccc(OC)cc2)C(C)C)n[nH]c1=S 4739089 ZWRZVLRVOBOHHW-CQSZACIVSA-N 346.456 3.262 30 40 EGEB O=S(=O)(/N=C(\O)c1cccc(OC2CCCC2)c1)c1cccnc1 66722984 GKXLWRJBFYGBEF-UHFFFAOYSA-N 346.408 3.097 30 40 EGEB CC(C)/N=C(/NCCCNC(=O)c1ccccc1F)c1cccs1 71843666 BCGKZHHHRCJRNQ-UHFFFAOYSA-N 347.459 3.452 30 40 EGEB C(=N/Nc1nn2cnnc2c2ccccc12)\c1c[nH]c2ccccc12 17180434 NIYXDHWDMMBHGP-KEBDBYFISA-N 327.351 3.205 30 40 EGEB COc1ccc(/C=C/C(=O)c2ccc(N3CCN(C)CC3)cc2)cc1 8779577 ROOPWAGFXLBNSA-LFYBBSHMSA-N 336.435 3.343 30 40 EGEB CC[C@@H](CC#N)NC(=O)Nc1ccc(C)cc1OC[C@@H]1CCCO1 95942648 DXLKFWFYQJXPHY-GJZGRUSLSA-N 331.416 3.367 30 40 EGEB N#Cc1c(Cl)nsc1N[C@@H](CO)Cc1c[nH]c2ccccc12 78666679 WSLPGOIKAFHHOP-SNVBAGLBSA-N 332.816 3.165 30 40 EGEB C=CCSc1nnc(NS(=O)(=O)Cc2ccccc2C)s1 223299596 HHKDIWAZNDPRAT-UHFFFAOYSA-N 341.483 3.067 30 40 EGEB COc1ccc(F)c(NC(=O)N(CCC#N)Cc2ccccn2)c1 95416139 ZFXJBBKYLULCOV-UHFFFAOYSA-N 328.347 3.177 30 40 EGEB C[C@@H](NC(=O)N(C)Cc1cc(Cl)cn1C)c1cccc(C#N)c1 96465862 JBBJWPBMCUJVQK-GFCCVEGCSA-N 330.819 3.453 30 40 EGEB C=CCO[C@H]1CCN(C(=O)c2sccc2C)[C@H]1Cc1ccncc1 96200778 ZELPGCXEXNECNC-IRXDYDNUSA-N 342.464 3.480 30 40 EGEB C=CC/N=C(\N)NCc1cn(-c2ccccc2)nc1-c1ccccc1 58168852 VGUIWYPAMJKMGD-UHFFFAOYSA-N 331.423 3.130 30 40 EGEB Cc1cc(C)n2nc(C)c(C(=O)[C@H](C#N)c3nc4ccccc4[nH]3)c2n1 75830957 ZZFMJTZZKIUSPT-ZDUSSCGKSA-N 344.378 3.021 30 40 EGEB O=C1C=CC(=O)C(CNc2ccc(C(=O)OCc3ccccc3)cc2)=C1 1647312 PNLOECMIUPAFEZ-UHFFFAOYSA-N 347.370 3.090 30 40 EGEB O=C1/C(=C/c2cc[n+](Cc3ccccc3)cc2)Oc2cc(O)ccc21 2235836 LGNONSDRBQPQDU-NDENLUEZSA-O 330.363 3.344 30 40 EGEB COC(=O)c1ccc([C@@H]2C3=C(CCCC3=O)Nc3onc(C)c32)cc1 12804473 UOPSCFTWGGBLTN-INIZCTEOSA-N 338.363 3.334 30 40 EGEB C/C(=N\Nc1cccc(C(=O)O)c1)c1cccc(N2CCCC2=O)c1 13025919 HNQZJUFFTNMDOJ-DEDYPNTBSA-N 337.379 3.348 30 40 EGEB NC1=C(c2nc3ccccc3s2)C(=O)CCN1Cc1ccccc1 5011052 VGDPJLOAGWNIDC-UHFFFAOYSA-N 335.432 3.399 30 40 EGEB COc1ccc2c(c1)O/C(=C\c1cccc(OC(=O)N(C)C)c1)C2=O 4339909 XLSNPSXCCHJQQH-YVLHZVERSA-N 339.347 3.372 30 40 EGEB COc1ccc(/C=N/n2cnc3sc4c(c3c2=O)CCCC4)cc1 4738410 ROYBBHPMRLZJAQ-KEBDBYFISA-N 339.420 3.228 30 40 EGEB COc1ccccc1[C@H](C#N)NC(=O)c1cnc(-c2ccccc2)nc1 68357911 OJLMUAIDDRTGLG-KRWDZBQOSA-N 344.374 3.147 30 40 EGEB COCOc1ccc(/C=C/C(=O)c2c(O)cc(OC)cc2OC)cc1 148553774 KCJFDDQHNVOPBL-RMKNXTFCSA-N 344.363 3.288 30 40 EGEB Cc1ccc(/C=C/C(=O)OCC(=O)N(CCC#N)c2ccccc2)o1 2646833 JBECEQXBIJGKNO-ZHACJKMWSA-N 338.363 3.091 30 40 EGEB Cc1c(CCC#N)c(-n2ccnc2)n2c(nc3ccccc32)c1C#N 4622861 XRRXJDUPAKOBFM-UHFFFAOYSA-N 326.363 3.309 30 40 EGEB COc1ccc(CNC2=C(Cl)C(=O)c3ccccc3C2=O)cc1 100735151 HHILFIZSXKPWCP-UHFFFAOYSA-N 327.767 3.314 30 40 EGEB N#Cc1ccccc1COC(=O)CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 104176074 GNIWRLXVQLIBAU-SNEKZUEESA-N 325.408 3.323 30 40 EGEB CS(=O)(=O)c1ccc(C(=O)/C=C/c2ccc(Cl)nc2)cc1F 79014636 HPVNSFWKTVBFCR-GORDUTHDSA-N 339.775 3.174 30 40 EGEB COc1cc(C=C2C(=O)c3ccccc3C2=O)c([N+](=O)[O-])cc1OC 2543598 WCUAOKCKZVITLV-UHFFFAOYSA-N 339.303 3.075 30 40 EGEB N#Cc1ccc(S(=O)(=O)/N=C(\O)C2CCC2)c(C(F)(F)F)c1 58279784 HYVBJTVTWGTGBT-UHFFFAOYSA-N 332.303 3.022 30 40 EGEB O=S(=O)(/N=C(\O)c1scnc1C1CCCC1)C1CCCC1 97136965 BKEYVBBXOMVNGG-UHFFFAOYSA-N 328.459 3.378 30 40 EGEB Cc1nc2ccccc2c(=O)n1/N=C/C=C/c1ccccc1[N+](=O)[O-] 2657774 GZBATNJXEPXTJA-ZYZAVJBWSA-N 334.335 3.160 30 40 EGEB CCc1ccc(/C=C/C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 5155985 CAYVVVBZIJSJGV-NTEUORMPSA-N 343.448 3.395 30 40 EGEB COc1cccc2cc(-c3cc(C4CCNCC4)c(C#N)c(N)n3)oc12 71403934 RWXOGBRAUBLZGD-UHFFFAOYSA-N 348.406 3.424 30 40 EGEB N#CC1(C(=O)NCC[C@](O)(c2ccccc2)C(F)(F)F)CCCC1 95398883 DXASIECAENRQPP-INIZCTEOSA-N 340.345 3.027 30 40 EGEB N/C(=N/c1ccccc1)SCc1cc([N+](=O)[O-])cc2c1OCOC2 7664770 KIQMELAXEODGTB-UHFFFAOYSA-N 345.380 3.341 30 40 EGEB N#Cc1ccsc1NC(=O)CSc1nc(-c2cccs2)n[nH]1 7980531 FFEJWKPZFGCHOK-UHFFFAOYSA-N 347.450 3.197 30 40 EGEB C=C(C)CN1CCC(NC(=O)N(C)[C@H](C)Cc2ccc(O)cc2)CC1 95436901 UHFMMUXZCQUAJR-MRXNPFEDSA-N 345.487 3.005 30 40 EGEB C=C(C)COCCNC(=O)N1CCCCC[C@H]1c1c(C)n[nH]c1C 97080598 FAZUPLCOHBHKEF-INIZCTEOSA-N 334.464 3.246 30 40 EGEB COCc1cc(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)no1 76065989 VMGXYKKSJSBBAZ-MRXNPFEDSA-N 327.384 3.113 30 40 EGEB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](C=O)[C@@H]2c2cccc(Cl)c2)cc1 218632790 KDSOTXVWVURBCP-YESZJQIVSA-N 334.824 3.403 30 40 EGEB CS(=O)(=O)/N=C(\O)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 78988953 RZCGBGKHWVBTRS-IRXDYDNUSA-N 345.420 3.285 30 40 EGEB COc1ccccc1-c1nnc(Sc2c(C#N)cccc2C#N)n1C 225510675 GKEHZAHZORUPJZ-UHFFFAOYSA-N 347.403 3.385 30 40 EGEB C=CCOc1cccc(CN(C)S(=O)(=O)c2ccc(OC)cc2)c1 223729119 PKBYLNNUPNNFQX-UHFFFAOYSA-N 347.436 3.081 30 40 EGEB Cc1cnc(OC[C@H]2CCCN(c3ncc(C#N)cc3Cl)C2)nc1 1776001082 YIPSLFYBBYBLOT-ZDUSSCGKSA-N 343.818 3.001 30 40 EGEB C[C@H](Sc1nc(C2CCCC2)n[nH]1)C(=O)Nc1ccc(C#N)cc1 12103934 INKRWFKUXNATGF-NSHDSACASA-N 341.440 3.453 30 40 EGEB N#Cc1cccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 3518734 PXNPKZZJUSMYMT-UHFFFAOYSA-N 325.799 3.174 30 40 EGEB N#Cc1ccc(NCC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 21355392 WAQBLVURLNPFER-TZMCWYRMSA-N 325.334 3.207 30 40 EGEB N#C[C@H](C(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccn1 103717495 ZHRBSNRGGFHCBC-LLVKDONJSA-N 348.189 3.278 30 40 EGEB Cc1cc(OCC(=O)Nc2ccc(C#N)c(Cl)c2)ccc1[N+](=O)[O-] 24520955 SEDPOTQTRDGKHW-UHFFFAOYSA-N 345.742 3.446 30 40 EGEB CCn1c(C(=O)[C@H](C#N)c2nnc3n2CCCCC3)cc2ccccc21 58265698 FISJNLGSDMMOMT-HNNXBMFYSA-N 347.422 3.469 30 40 EGEB C#CCN(CC(=O)NCc1ccccc1F)[C@@H]1CCc2ccccc21 59017950 NIQLYUPKQZRNPR-HXUWFJFHSA-N 336.410 3.065 30 40 EGEB CSc1nc2n(n1)[C@H](c1ccc(C)cc1)C1=C(CCCC1=O)N2 4436045 ILJYFFOTKAZXKZ-OAHLLOKOSA-N 326.425 3.330 30 40 EGEB C[S@@](=O)c1ccc(CNc2nc3c(cc2C#N)CCCC3)cc1 95452075 TUURFCZMJBUVFC-QHCPKHFHSA-N 325.437 3.182 30 40 EGEB Cc1c(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)c2ccccc2n1C 409178202 HAZKJHZBYYHBGL-FYHYWYESSA-N 347.418 3.018 30 40 EGEB COc1cnc(N=C(O)N2CCC(Cc3cccnc3)CC2)s1 329234849 IDLFZSKKJNWHGK-UHFFFAOYSA-N 332.429 3.047 30 40 EGEB COc1cc(CO/N=C(\C)c2ccc(NC(C)=O)cc2)ncc1C 585137359 ULTPOCDEYLYMKF-FYJGNVAPSA-N 327.384 3.298 30 40 EGEB Cc1nc2ccccc2nc1S[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C 29282550 CAZRFGAMOJBONU-SCLBCKFNSA-N 342.468 3.473 30 40 EGEB N#CC1CCN(C(=O)NCCc2ccc(OC(F)(F)F)cc2)CC1 58293859 YEWNSSNFNWJTSX-UHFFFAOYSA-N 341.333 3.073 30 40 EGEB COc1cc(OC)c2c(c1)O/C(=C/c1ccc(OC)c(OC)c1)C2=O 14725427 CVKDSGICIOMAGA-CAOOACKPSA-N 342.347 3.337 30 40 EGEB N#Cc1ccc(CN2CCC(C(=O)N3CCC(F)(F)CC3)CC2)cc1 1889118420 IGUZVDZKWLRRKZ-UHFFFAOYSA-N 347.409 3.028 30 40 EGEB Cc1occc1C(=O)[C@H](C#N)C(=O)[C@H](C)Oc1ccc(F)c(F)c1 103696778 PMOIMSMFUCVTBZ-GXFFZTMASA-N 333.290 3.225 30 40 EGEB N#Cc1ccc(CNCC2CCN(C[C@H](O)c3ccccc3)CC2)cc1 75602891 AYKHGCIEFOMICT-QFIPXVFZSA-N 349.478 3.093 30 40 EGEB CCCN(CC#N)C(=O)C1CCC(NC(=O)CC2CCCC2)CC1 79338350 JUAJNLJRWCIKJJ-UHFFFAOYSA-N 333.476 3.004 30 40 EGEB CCc1ccc(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1 23701072 YYETTZKEPQLWNS-UHFFFAOYSA-N 333.435 3.079 30 40 EGEB C=CCNc1nn(-c2nc(C)cc(C)n2)c2c1C(=O)CC(C)(C)C2 9936459 YROXTYNLLFUDPP-UHFFFAOYSA-N 325.416 3.032 30 40 EGEB N#CCCN(CC(F)(F)F)C(=O)c1ccc(Br)cc1 76092259 KVZIGFQOLBDHAB-UHFFFAOYSA-N 335.123 3.367 30 40 EGEB CCOc1cc(/C=N\OCC(=O)Nc2ccccc2)ccc1OC 28630530 PJFIZFCSFOGOBB-UNOMPAQXSA-N 328.368 3.083 30 40 EGEB Cc1ccc(N(CCC#N)C(=O)COc2ccc([N+](=O)[O-])cc2)cc1 3523608 FDJGLRKVJUSTJS-UHFFFAOYSA-N 339.351 3.229 30 40 EGEB C#CCN1C(=O)S/C(=C/c2ccc(OC(C)C)c(OC)c2)C1=O 408917332 RGONWWCKDKXTGP-XNTDXEJSSA-N 331.393 3.152 30 40 EGEB Cn1cc(CC(=O)N[C@H](C#N)c2ccc(F)cc2F)c2ccccc21 65548907 BGAAFYJRJBAQFS-QGZVFWFLSA-N 339.345 3.380 30 40 EGEB C=CCN(C(=O)Nc1nnc(Cc2ccc(F)cc2)s1)C1CC1 95459136 ABSDLRVROPTPGP-UHFFFAOYSA-N 332.404 3.450 30 40 EGEB CCOc1cc(/C=N/Nc2nc3ccccc3[nH]2)cc([N+](=O)[O-])c1O 409043435 FGOKZSKJHKTGCM-RQZCQDPDSA-N 341.327 3.021 30 40 EGEB N#Cc1cccc(CN2CCc3ncnc(-c4ccoc4)c3CC2)c1 96255159 FMNRNZWSDQUUER-UHFFFAOYSA-N 330.391 3.209 30 40 EGEB C[C@@]12CC[C@@H]3C[C@]1(C#N)N(C(=O)c1cc4ccccc4oc1=O)C[C@]32C 256025230 SHMQZYRNVJVTLQ-MSPZUWAUSA-N 348.402 3.337 30 40 EGEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2ncccn2)cc1 69632498 BQUONBRSYGMJLV-CQSZACIVSA-N 344.374 3.421 30 40 EGEB COc1cc(/C=N/OC(=O)Nc2ccccc2)cc(OC)c1OC 1682839 SIZWNUSUXLRKNQ-WOJGMQOQSA-N 330.340 3.295 30 40 EGEB C=CCOc1ccc(/C=C/C(=O)N2CCC[C@H](C(=O)OCC)C2)cc1 40160567 HLLXTXPJJTVUPK-KQPPXVQYSA-N 343.423 3.066 30 40 EGEB Cc1cccc(CN2CCC(NC(=O)C3(C#N)CCCC3)CC2)c1 58203391 OMKDRBABNMEUNY-UHFFFAOYSA-N 325.456 3.160 30 40 EGEB COc1ccc(Br)cc1CN(C)c1ncccc1C#N 12814772 ZMBHRVQUDMXXFV-UHFFFAOYSA-N 332.201 3.361 30 40 EGEB CNc1nc(N/N=C/c2ccc(OC)cc2)nc(Nc2ccccc2)n1 4119089 RCJGVUUQTITKOR-UDWIEESQSA-N 349.398 3.112 30 40 EGEB N#Cc1cc(Br)ccc1NCc1nnc2n1CCCCC2 96008391 GLAGYVUHPPVEDC-UHFFFAOYSA-N 346.232 3.251 30 40 EGEB C=CCSc1ccccc1NC(=O)CN(C)Cc1cccn1C 84321867 ZCCJAGSUINUJEG-UHFFFAOYSA-N 329.469 3.374 30 40 EGEB N#CCCN(C(=O)CCC(=O)N1CCc2ccccc21)c1ccccc1 65523907 ZLTUWQQPCKMZHQ-UHFFFAOYSA-N 347.418 3.303 30 40 EGEB C/C(=N\N(C)C)c1ccc(OCCOc2ccc([N+](=O)[O-])cc2)cc1 5494456 YKZXEYVWFMHLKJ-XMHGGMMESA-N 343.383 3.338 30 40 EGEB Cc1ccc(C[C@H](NC(=O)c2cc(C#N)c[nH]2)c2cccnc2)cc1 95406925 GWZMZMILINMQTR-SFHVURJKSA-N 330.391 3.304 30 40 EGEB C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)Cc1ccc(N(C)C)cc1 7361345 VLPOLBLCHIINEX-HNNXBMFYSA-N 336.439 3.083 30 40 EGEB Cc1csc([C@@H](C#N)C(=O)COC(=O)Cc2ccc(Cl)cc2)n1 7987260 GMQBAHBYDYIPQT-ZDUSSCGKSA-N 348.811 3.067 30 40 EGEB N#C[C@]1(NC(=O)CCC(=O)c2csc3ccccc23)CCSC1 87233710 OTGQXLPFSYZTTD-QGZVFWFLSA-N 344.461 3.380 30 40 EGEB N#CCOc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1 409035557 JHCTXCWQUBTOPA-YXSASFKJSA-N 343.202 3.303 30 40 EGEB C=CCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(F)cc1 224917191 SCKZUUSIPLJMLV-UHFFFAOYSA-N 336.344 3.115 30 40 EGEB C[C@H](Nc1cnn(-c2ccccc2)c1)C(=O)Nc1ccccc1C#N 97377901 ARGCYKROKLYZCQ-AWEZNQCLSA-N 331.379 3.183 30 40 EGEB Cc1ccc(C#N)cc1C(=O)NC[C@H](C)c1nc(-c2ccccc2)no1 1631935859 NZQRHMPQZVRIIW-AWEZNQCLSA-N 346.390 3.450 30 40 EGEB CC(=O)/N=C1\NC(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)S1 3669443 VXYMHLNVHTYDIN-ZSOIEALJSA-N 330.340 3.192 30 40 EGEB O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cn2ccccc2n1 32963645 TWWBPOYBIDSYNI-UHFFFAOYSA-N 338.370 3.381 30 40 EGEB C#CCN(Cn1nc(C)c2ccccc2c1=O)[C@H]1CCc2ccccc21 54516461 YYGOIRYBXSBVIR-NRFANRHFSA-N 343.430 3.285 30 40 EGEB C[C@H](/N=C(\NCc1ccccn1)NC[C@H]1CCCO1)c1cccs1 84661300 JURRRJOGJJOLFG-GOEBONIOSA-N 344.484 3.119 30 40 EGEB C=CCn1c(COc2ccccc2F)nnc1SCCOCC 58023150 ICJRJPKLSKKSJH-UHFFFAOYSA-N 337.420 3.311 30 40 EGEB COC(=O)c1ccc(CO/N=C/c2ccc(OC)cc2OC)cc1 3320837 YNTCOWBLISHQBX-YBFXNURJSA-N 329.352 3.041 30 40 EGEB Cc1ccc(NC2CCN(C(=O)COc3ccc(C#N)cc3)CC2)cc1 65589762 HVUSJBWRIKWYDY-UHFFFAOYSA-N 349.434 3.349 30 40 EGEB N#CC1(NC(=O)COC(=O)c2ccc3c(c2)CCCC3)CCCCC1 6604786 ZVLBHVWHBGHVPJ-UHFFFAOYSA-N 340.423 3.065 30 40 EGEB COc1ccc(-c2c[n+](CC(=O)c3cccs3)c3n2CCC3)cc1 16955742 ZJJGWNFQTKBHNU-UHFFFAOYSA-N 339.440 3.342 30 40 EGEB CCOC(=O)Cc1c(C#N)c(C(F)(F)F)nc2ccc(F)cc12 75629459 IYTINQMJXMXJEY-UHFFFAOYSA-N 326.249 3.370 30 40 EGEB C[C@@H]1C[C@H]1[C@@H](NS(=O)(=O)CCCC#N)c1ccc(Cl)cc1 195530993 FMHNQUUBOSAELJ-DFBGVHRSSA-N 326.849 3.260 30 40 EGEB N#Cc1cc(N2CCC[C@@H]3C[C@@H]32)cc(N2CCC[C@@H]3C[C@@H]32)c1[N+](=O)[O-] 588066543 RIVVVJXJTNKDDO-OMNBBPDLSA-N 338.411 3.444 30 40 EGEB COc1ccc2c(c1OC)O/C(=C/c1ccc3c(c1)OCO3)C2=O 1670032 DHGTVUHIUVKPPI-OVCLIPMQSA-N 326.304 3.049 30 40 EGEB CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1cccc(C#N)c1 11371495 IXQJGMZOXOQEOW-KBXCAEBGSA-N 335.407 3.341 30 40 EGEB CCOC(=O)[C@H](C#N)C(=O)c1ccccc1-c1ccccc1[N+](=O)[O-] 6403427 JQHRJMOGZIYZPD-OAHLLOKOSA-N 338.319 3.147 30 40 EGEB CCOc1cc(/C=N/NCc2ccccc2Cl)cc([N+](=O)[O-])c1O 8811384 BOUIEJSURJGBCP-GIJQJNRQSA-N 349.774 3.476 30 40 EGEB C(=N/N1CCOCC1)\c1cn(-c2ccccc2)nc1-c1cccs1 3291490 YSQXYFAFKIICQW-CPNJWEJPSA-N 338.436 3.267 30 40 EGEB N#Cc1ccccc1NC(=O)COC(=O)c1cccc(C(F)(F)F)c1 3254485 SPPXHPIKAVDMGZ-UHFFFAOYSA-N 348.280 3.373 30 40 EGEB CC(=O)Nc1ccc(NC(=O)Cn2cc(C#N)c3ccccc32)cc1 51319157 FSIODDPYWNWDOT-UHFFFAOYSA-N 332.363 3.110 30 40 EGEB C=CCN(CC(F)(F)F)C(=O)C[C@H]1Sc2ccccc2NC1=O 58331013 ZOJFHTWWTMUFOW-GFCCVEGCSA-N 344.358 3.066 30 40 EGEB Cc1ccc([C@H](NS(=O)(=O)c2ccc(C#N)cc2)C2CC2)cc1 10682764 LIEBQJBQKONGIY-SFHVURJKSA-N 326.421 3.296 30 40 EGEB N#Cc1ccc(OCC(=O)OCc2ccc(Br)cc2)cc1 3316436 HBOLWOLYIFGKBV-UHFFFAOYSA-N 346.180 3.443 30 40 EGEB O=C(/C=C/c1ccccc1[N+](=O)[O-])c1cccc(N2CCOCC2)c1 11334556 UVDPGLIARFGANZ-CMDGGOBGSA-N 338.363 3.328 30 40 EGEB S=C(N/N=C/c1ccccn1)Nc1ccc(Br)cc1 6644576 FSERQILDOBYSGK-CXUHLZMHSA-N 335.230 3.165 30 40 EGEB COc1cc(Cl)c(S(=O)(=O)OCC(F)(F)F)cc1Cl 69484532 BLPFMTBLWLONQP-UHFFFAOYSA-N 339.118 3.270 30 40 EGEB COC(=O)c1ccccc1NC(=O)c1c(C)oc(-n2cccc2)c1C#N 9868631 OKKPECKQCAQYPR-UHFFFAOYSA-N 349.346 3.289 30 40 EGEB C[C@H](CSc1ccc(C#N)c(C(F)(F)F)c1)CS(C)(=O)=O 96500998 ZAGGPKVUOXKWQS-SECBINFHSA-N 337.388 3.350 30 40 EGEB Cc1cccc(-n2nc(C#N)c(N3CCc4ccccc4C3)n2)c1C 256048829 WKFUZTHWRBKXNN-UHFFFAOYSA-N 329.407 3.319 30 40 EGEB CN(CCC#N)c1ccc(/C=C/c2nc3ccccc3c(=O)[nH]2)cc1 6653872 OYUMBWYMBGDHEU-FMIVXFBMSA-N 330.391 3.443 30 40 EGEB CN(Cc1ccccc1N1CCOCC1)c1snc(Cl)c1C#N 51454785 SRBMVQZEDXJMRH-UHFFFAOYSA-N 348.859 3.141 30 40 EGEB COc1cc(/C=N/c2sc3c(c2C(N)=O)CCCC3)ccc1O 3069112 PYUGWIZEBANDNV-DJKKODMXSA-N 330.409 3.191 30 40 EGEB O=C(OCCC#Cc1ccc(CN2CCOCC2)cc1)c1ccccc1 84519311 YSNLVGDFISZDEL-UHFFFAOYSA-N 349.430 3.117 30 40 EGEB N#Cc1ccsc1NC(=O)Cc1csc(-c2ccccn2)n1 25125636 CSGKQLCHMOXAOS-UHFFFAOYSA-N 326.406 3.319 30 40 EGEB CCCc1cc(O)nc(S[C@@H](C)C(=O)Nc2ccccc2C#N)n1 11443469 VEZWGUPCGAPKJM-NSHDSACASA-N 342.424 3.126 30 40 EGEB Cn1c(SCC(=O)NC2(C#N)CCCC2)nc2cc(Cl)ccc21 48343821 ZYYNNBSDPKITHB-UHFFFAOYSA-N 348.859 3.271 30 40 EGEB CCOc1ncccc1C(=O)N1CCS/C1=N\Cc1ccccc1 5262212 RVVMVHCENFTSQP-ZZEZOPTASA-N 341.436 3.226 30 40 EGEB Cc1cc(NCC(=O)N[C@@](C)(C#N)C(C)C)ccc1Br 15292976 SKCMQZHZWJCLEX-HNNXBMFYSA-N 338.249 3.224 30 40 EGEB CCOc1cc(/C=C2/S/C(=N/C)N(C)C2=O)c(Cl)cc1OC 408928410 AXRGTVSCILJQFH-YUFDWGCQSA-N 340.832 3.279 30 40 EGEB O=[N+]([O-])c1ccc(OCN/N=C/c2c(O)ccc3ccccc23)cc1 408564234 WVBNMMUKCZSHKS-YBFXNURJSA-N 337.335 3.414 30 40 EGEB C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 224855833 TYZVXCZRGZQHNO-UHFFFAOYSA-N 333.409 3.085 30 40 EGEB C=CCNC(=O)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 4535319 HWAJHHOWMLSDDK-UHFFFAOYSA-N 341.238 3.148 30 40 EGEB C#CCOc1c(Cl)cc([C@H]2NC(=O)c3ccccc3N2)cc1OC 12533729 UAASAWAIUKOPJR-QGZVFWFLSA-N 342.782 3.215 30 40 EGEB Cc1ccc(CN2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 25952736 ALMPWGNJVCEJOQ-UHFFFAOYSA-N 348.406 3.437 30 40 EGEB C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(C#N)c1 56197436 TVGHPVMUCWZIMV-STQMWFEESA-N 338.367 3.144 30 40 EGEB O=C1Nc2ccccc2[C@@]1(O)C/C(=N\O)c1ccc2ccccc2c1 104286090 JZWCJJYBAYUZIP-WDWWVRLLSA-N 332.359 3.248 30 40 EGEB CCc1cnc([C@H](C)N[C@@H](C(=O)OC)c2cccc(C#N)c2)s1 83032666 RMGKCKBBSUYNSP-XHDPSFHLSA-N 329.425 3.142 30 40 EGEB N#Cc1ccc(COC(=O)CCc2nnc(-c3ccccc3)o2)cc1 6586047 ZWXPEVKNGKUTAZ-UHFFFAOYSA-N 333.347 3.284 30 40 EGEB CCNc1ccccc(C(=O)/C=C/c2ccc(OC)cc2OC)c1=O 4667360 KGGOWWIGCIUFQJ-ZRDIBKRKSA-N 339.391 3.392 30 40 EGEB COc1cc(N[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc(OC)c1 5689423 YMQWOLXRZRRIIP-LBPRGKRZSA-N 325.368 3.015 30 40 EGEB COc1cc(C)c(N[C@@H](C)C(=O)Nc2ccccc2C#N)cc1OC 7057787 OUTPATAYVWTBFK-ZDUSSCGKSA-N 339.395 3.323 30 40 EGEB COc1ccc(C(=O)N2CCCC[C@@H]2[C@H](C#N)c2ccccc2)cn1 72297930 XWRZJENCIOTAHZ-QZTJIDSGSA-N 335.407 3.392 30 40 EGEB CCN(Cc1ccccc1)c1nn(-c2ccc(OC)cc2)nc1C#N 256046925 JBCPETXUIBLBKP-UHFFFAOYSA-N 333.395 3.174 30 40 EGEB COC(=O)c1sc(NC(=O)/C=C/c2ccccc2)c(C#N)c1C 483627 PYYINYDBDBCGOU-CMDGGOBGSA-N 326.377 3.367 30 40 EGEB Cc1ccc(NC(=O)[C@@H]2CCCN2/C=C/C(=O)C(F)(F)F)c(C)c1 4119706 HOHCGXPTTVVPDD-KGXGESDWSA-N 340.345 3.351 30 40 EGEB CC(C)c1nc(N/N=C/c2cccc([N+](=O)[O-])c2)cc(N(C)C)n1 5849756 HBPRKGNUDTZROB-LICLKQGHSA-N 328.376 3.020 30 40 EGEB N#Cc1ccsc1NC(=O)c1ccc2c(c1)NC(=O)CCS2 32988057 CJUDVAUBJGUZEO-UHFFFAOYSA-N 329.406 3.306 30 40 EGEB Cc1ccc(OCc2nc(C#N)c(N3C[C@@H](C)O[C@H](C)C3)o2)cc1 108682 STCVSAJKSOLTLV-ZIAGYGMSSA-N 327.384 3.047 30 40 EGEB CCOc1ccc(S(=O)(=O)N/N=C2\CCCc3ccccc32)cc1 19299314 FVDOQHHFKWTILU-VHEBQXMUSA-N 344.436 3.104 30 40 EGEB CCCNC(=O)c1cccc(C(=O)N[C@@H](C#N)c2ccccc2C)c1 72294759 BEHNSBRRAPADPB-SFHVURJKSA-N 335.407 3.130 30 40 EGEB Cc1sc([C@@H](C)NCC(=O)NCC#N)nc1-c1ccc(Cl)cc1 97112369 GXZHKWWLXPLBGW-SNVBAGLBSA-N 348.859 3.062 30 40 EGEB CCc1cnc([C@@H](C)N[C@@H](C(=O)OC)c2cccc(C#N)c2)s1 83032662 RMGKCKBBSUYNSP-IAQYHMDHSA-N 329.425 3.142 30 40 EGEB O=C(O)c1ccc(/C=C/C(=O)c2ccc(N3CCOCC3)cc2)cc1 7587009 KTSYZPOIHJEWBV-XCVCLJGOSA-N 337.375 3.118 30 40 EGEB C=CCC(CC=C)(CNC(=O)C(=O)Nc1ccncc1)c1ccccc1 27240881 ZHUOZTSMWKCWGU-UHFFFAOYSA-N 349.434 3.227 30 40 EGEB N#C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1F)c1ccc(Cl)cc1 95418464 SBRXQLRRHQDHHL-OAHLLOKOSA-N 347.733 3.311 30 40 EGEB C#CCOc1ccc(F)cc1NC(=O)N[C@H](C)Cc1c(C)noc1C 76081689 VKWOEXOTNGERRO-LLVKDONJSA-N 345.374 3.195 30 40 EGEB CC(=O)Nc1ccc(/N=C/c2ccc(N3CCOCC3)c(F)c2)cc1 409131653 KBOXCLZCRYCENS-FYJGNVAPSA-N 341.386 3.371 30 40 EGEB CC[C@@H](C)n1ncc(N=C(O)N2CCC(Cn3cccn3)CC2)c1C 330125388 LXXDJPYSPPMHNU-CQSZACIVSA-N 344.463 3.317 30 40 EGEB CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@H]2C=O)cc1 242538985 JKOZAAVSJCUHMX-IPMKNSEASA-N 328.433 3.312 30 40 EGEB CC(C)(C)c1cnc(CNC(=O)CSCc2ccc(C#N)cc2)o1 72309345 REVXSTKYVLVWJR-UHFFFAOYSA-N 343.452 3.393 30 40 EGEB CCOc1ccc(/C=N/c2cccc(N(C)S(C)(=O)=O)c2)cc1 19855663 BMFBPVPMHVPAMN-QGOAFFKASA-N 332.425 3.232 30 40 EGEB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1cccc(C#N)c1 7824243 HCDBXOZNZMZPST-UHFFFAOYSA-N 344.418 3.350 30 40 EGEB COC(=O)Cc1nn(-c2ccccc2)c(O)c1/C=N/c1ccc(C)cc1 100298616 GMCMWONMAGXRPD-FYJGNVAPSA-N 349.390 3.352 30 40 EGEB C#Cc1cccc(NCc2nc(-c3ccc(OC)c(OC)c3)no2)c1 40494054 INLXTZHUNUPVQT-UHFFFAOYSA-N 335.363 3.347 30 40 EGEB COc1cccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)c1OCC#N 12412784 MOPVCGYUKDWTMJ-LGMDPLHJSA-N 347.374 3.404 30 40 EGEB CC(=O)[C@H]1CC[C@H]2[C@@H]3CC(=O)C4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C 4416459 NRAVPXQWDQDQCL-HTZVICBTSA-N 342.435 3.082 30 40 EGEB C=CCc1cc(C(=O)NCCCN2CCCCCC2)ccc1OC 10111309 SOQYEZGNJTYGHP-UHFFFAOYSA-N 330.472 3.420 30 40 EGEB N#Cc1ccc(OCC(=O)Nc2nc(-c3ccncc3)cs2)cc1 8389745 DSCLVOAGLMQWKG-UHFFFAOYSA-N 336.376 3.094 30 40 EGEB C[C@H](Nc1cccc(N2CCCC2=O)c1)C(=O)Nc1ccccc1C#N 25701354 BFJYTBBZEWDLKT-AWEZNQCLSA-N 348.406 3.124 30 40 EGEB N#Cc1ccsc1NC(=O)CSc1nncc2ccccc12 44156560 JSBXFRCVRJIROH-UHFFFAOYSA-N 326.406 3.294 30 40 EGEB N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccncc2)cc1Cl 44937357 UYEHGRVFSBVDPO-MRXNPFEDSA-N 347.827 3.132 30 40 EGEB Cc1ccc(OCC(=O)N[C@](C)(C#N)C(C)C)c(Br)c1 13135296 QTIWSZUGMYDCCQ-OAHLLOKOSA-N 339.233 3.191 30 40 EGEB Cc1cc([C@H](C)NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)c(C)o1 65590969 NWUPXVGZQUNCHI-LBPRGKRZSA-N 349.394 3.027 30 40 EGEB C=CCN(c1ccccc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 23216468 MMPPIEGXXKOGMN-UHFFFAOYSA-N 332.381 3.285 30 40 EGEB N#CCc1cccc(C(=O)N2CCC[C@@H]2C(=O)OCc2ccccc2)c1 68141494 QIMARDPLEKRBJU-LJQANCHMSA-N 348.402 3.101 30 40 EGEB CN(CC(=O)Nc1cccc(C#N)c1)Cc1nc2ccccc2s1 7688939 ZUEAMUNQMPPOFD-UHFFFAOYSA-N 336.420 3.238 30 40 EGEB CC(=O)Nc1ccc(/N=C/[C@H]2C(=O)N(c3ccccc3)N=C2C)cc1 18176478 VDTLKQBTGGNDMW-BAOGCXAUSA-N 334.379 3.386 30 40 EGEB C[C@H](OC(=O)C[C@H](C)c1cccnc1)C(=O)Nc1ccccc1C#N 71914252 FICFTXLHPHDMNN-KBPBESRZSA-N 337.379 3.017 30 40 EGEB COc1ccc(/N=C2\NN=C(c3c[nH]c4ccccc34)CS2)cn1 83962647 YSAXEMACTUQAIS-UHFFFAOYSA-N 337.408 3.300 30 40 EGEB C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC/C2=C\CO 30729174 FIMYJWIQTVIDQB-QMERZLORSA-N 328.452 3.184 30 40 EGEB CC(C)Cn1c(C#N)cc(N)c1N1CCN(c2ccc(F)cc2)CC1 225870710 ALSAGAHANGCGEH-UHFFFAOYSA-N 341.434 3.064 30 40 EGEB CCN1CC[C@@H](CNC(=O)c2ccccc2Oc2ccccc2C#N)C1 96496469 SYPCTGXFYPJNMY-INIZCTEOSA-N 349.434 3.422 30 40 EGEB Cc1nc(-c2ccc(F)c(F)c2)sc1/C(O)=N/c1ncnn1C 96496157 XTYNBMIDXJQTAL-UHFFFAOYSA-N 335.339 3.162 30 40 EGEB N#CCOc1ccc(Cl)cc1CN1CCC[C@H](c2ccn[nH]2)C1 72287161 HKBOBJBIJVOCJP-ZDUSSCGKSA-N 330.819 3.345 30 40 EGEB CN1/C(=C/C(=O)CSc2nnc(N)s2)C(C)(C)c2ccccc21 3262381 DFYKWBRTEBINMQ-MDWZMJQESA-N 346.481 3.093 30 40 EGEB O=C(/C=C\Sc1nnnn1-c1ccccc1)c1ccc(F)cc1 16523810 LCGOTEWVPOGDEP-KHPPLWFESA-N 326.356 3.290 30 40 EGEB CCOC(=O)C1=C(C)N/C(=C/c2ccc(Cl)c(Cl)c2)C1=O 100065441 CLKOZVSBCKEQSL-KPKJPENVSA-N 326.179 3.344 30 40 EGEB Cn1c(-c2ccccc2)nnc1[C@H](C#N)C(=O)c1ccc2c(c1)COC2 50206741 CKWYFMBLQVROQD-QGZVFWFLSA-N 344.374 3.002 30 40 EGEB CN(C)[C@@H](CNC(=O)Nc1ccc(C#N)cc1)c1ccc(F)cc1 48051682 CSYIDFFFUOVRCL-KRWDZBQOSA-N 326.375 3.122 30 40 EGEB COc1ccc(S(=O)(=O)/N=C(\O)c2ccc(C)c(C)c2)cc1OC 58379191 KCRBGXCYWBEXLV-UHFFFAOYSA-N 349.408 3.014 30 40 EGEB N#Cc1ccc(CS(=O)(=O)N[C@H](c2cccs2)C2CC2)cc1 12887993 SOEYNWJGWPGQHK-INIZCTEOSA-N 332.450 3.190 30 40 EGEB CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cccc(C)c2C)n1 67898261 JKGDLRVNMNESQN-ZDUSSCGKSA-N 328.393 3.427 30 40 EGEB CCOc1nc2c(c(-c3ccccc3)c1C#N)c1ncnc(O)c1n2C 8706673 JCXUPBDTLCGPHU-UHFFFAOYSA-N 345.362 3.159 30 40 EGEB C=CCNc1ncc(C(=O)N2CCO[C@H](c3ccccc3C)C2)s1 95429505 ITTKDMLOGZNQCS-HNNXBMFYSA-N 343.452 3.263 30 40 EGEB CCS[C@@H]1CCC[C@@H](NS(=O)(=O)Cc2cccc(C#N)c2)C1 96452720 XFFWSLKVFKACCJ-HZPDHXFCSA-N 338.498 3.042 30 40 EGEB C#CCNC(=O)c1ccccc1NC(=O)c1nc(Cl)ccc1Cl 58430611 UFWOGEQZKALJES-UHFFFAOYSA-N 348.189 3.004 30 40 EGEB CCc1nc(C)c(C#N)c(S[C@H](C)C(=O)NCc2cccs2)n1 12792900 HPFVEIVFSYPJMW-LLVKDONJSA-N 346.481 3.078 30 40 EGEB C=CCN1CCN(c2nccn3nc(-c4ccc(C)cc4C)cc23)CC1 67285164 JHPZOUJDDJVJJH-UHFFFAOYSA-N 347.466 3.321 30 40 EGEB N#Cc1ccc(N2CC[C@@H](OC(=O)CC(C3CC3)C3CC3)C2=O)cc1 65641006 DFIDHBDIJYPEEG-GOSISDBHSA-N 338.407 3.033 30 40 EGEB C[C@H](C/C(O)=N/S(=O)(=O)c1ccc(F)cc1F)c1ccncc1 95443011 UGHQJTOMTVWJFX-SNVBAGLBSA-N 340.351 3.199 30 40 EGEB N#CCNC(=O)CN[C@H](c1ccccc1)c1cccc2ccccc12 96455516 DDBVKHQZNFEXJY-OAQYLSRUSA-N 329.403 3.159 30 40 EGEB COc1ccc(C(=O)O/N=C(\N)Cc2ccc(Cl)cc2)cc1OC 18115750 FGJSCJRVOKNQRT-UHFFFAOYSA-N 348.786 3.029 30 40 EGEB N#Cc1cccc(CNC(=O)N2CCc3c(F)ccc(F)c3C2)c1 84152918 WSSXMKVWLLUIQN-UHFFFAOYSA-N 327.334 3.104 30 40 EGEB Cc1nnc(SCC(=O)N(C)[C@H]2CCCC[C@@H]2C)c(C#N)c1C 97080560 VYLGSWZIHXMOJV-NHYWBVRUSA-N 332.473 3.094 30 40 EGEB C#CCOc1ccc(F)cc1NC(=O)CCCc1nc(C(C)C)no1 72295542 JGPKSFBOTDANAQ-UHFFFAOYSA-N 345.374 3.306 30 40 EGEB C#Cc1cccc(N(Cc2ccco2)C(=O)CCc2cnn(C)c2)c1 69659640 NQNHBTQQKCKSRU-UHFFFAOYSA-N 333.391 3.160 30 40 EGEB C=CCN(C(c1ccccc1)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 575419996 CNYNRMMGHIEOLO-LJQANCHMSA-N 341.476 3.451 30 40 EGEB C#CCN(Cc1nc([C@@H](C)OCC)no1)[C@@H]1CCc2ccccc21 76720123 BTGYZMRGFFWVID-RHSMWYFYSA-N 325.412 3.290 30 40 EGEB Cc1ccc(C)c(S(=O)(=O)/N=C2\C=CC(=O)c3ccccc32)c1 189812 NSNRNCRPSJSIRI-KNTRCKAVSA-N 325.389 3.234 30 40 EGEB O=C1/C(=C\N2CCOCC2)CCc2nc(-c3ccccc3)sc21 16940576 UEUFIIPMYFYONF-OWBHPGMISA-N 326.421 3.155 30 40 EGEB COCCN(C(=O)c1cccc(-n2cccn2)c1)c1ccc(C#N)cc1 78875482 RGGLMXIWQZHCBD-UHFFFAOYSA-N 346.390 3.037 30 40 EGEB N#CC1(C(=O)Nc2ccc(CCC(=O)N3CCCC3)cc2)CCCC1 84397936 KUMDDXPDNCWANO-UHFFFAOYSA-N 339.439 3.264 30 40 EGEB Cc1cccc([N+](=O)[O-])c1C(=O)OCc1cn2ccccc2c1C#N 12820402 MQVSKWNXELOVPS-UHFFFAOYSA-N 335.319 3.385 30 40 EGEB N#Cc1cccc(OCC(=O)N2CCC(Cc3ccccc3)CC2)c1 3454133 QDPMFJYXVNREOP-UHFFFAOYSA-N 334.419 3.418 30 40 EGEB C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nnc(-c2ccncc2)o1 97055102 BYPHNSXEGODTLN-GFCCVEGCSA-N 332.429 3.037 30 40 EGEB CN(C(=O)c1cccc(CC#N)c1)[C@@H]1CCCN(c2ccccc2)C1 79358446 UVQIKWNOMNLWTQ-HXUWFJFHSA-N 333.435 3.494 30 40 EGEB CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1Cc1ccc(F)cc1C#N 69668090 ZTNOAAHURNCKGY-QZTJIDSGSA-N 329.419 3.063 30 40 EGEB C#C[C@]1(O)CC[C@@H]2[C@@H]3CC(=O)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC 97975672 RFOBDGUKWSBLIQ-JOPJSMJBSA-N 326.436 3.062 30 40 EGEB COc1ccc(C(=O)/C=C\Sc2nnnn2-c2ccccc2)cc1 16216170 XPMLYXDAMHHZIM-QXMHVHEDSA-N 338.392 3.160 30 40 EGEB COc1ccccc1-n1c(S[C@H](C)C#N)nnc1N1CCCCC1 6994192 PDUILSDBVSKOCE-CYBMUJFWSA-N 343.456 3.270 30 40 EGEB Cc1ccc(S(=O)(=O)O[C@@H]2CCN(c3cccc(F)c3)C2)cc1 50888630 WRHAQERSQQIYES-MRXNPFEDSA-N 335.400 3.118 30 40 EGEB COCCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(C(C)C)cc1 4540483 WYBQEEGSESZPNG-KRWDZBQOSA-N 331.412 3.131 30 40 EGEB C=CCn1nnnc1NCc1ccc(-c2ccc(OC)c(Cl)c2)o1 7602306 LMWRHOQHGIULCQ-UHFFFAOYSA-N 345.790 3.393 30 40 EGEB COc1ccc([C@@H]2CC(=O)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)cc1 1432862 OIMDJDUMMGVEJC-HNNXBMFYSA-N 342.439 3.131 30 40 EGEB COC(=O)[C@@H](C#N)c1nc2ccccc2nc1NCc1cccs1 9428769 LFUPFYOZIYCDEV-LBPRGKRZSA-N 338.392 3.084 30 40 EGEB COc1c(Cl)cc(NCC(=O)NC2(C#N)CCCC2)cc1Cl 58218888 XKJSSSOVRRWGHT-UHFFFAOYSA-N 342.226 3.366 30 40 EGEB CCC(CC)c1nnc(NC(=O)COc2ccc(C#N)cc2)s1 2646092 BIZYICRQPZREKJ-UHFFFAOYSA-N 330.413 3.331 30 40 EGEB O=S(=O)(/N=C(\O)CCC1CCCC1)c1cccc2nsnc12 48637361 YMRXGYPYORRLOF-UHFFFAOYSA-N 339.442 3.307 30 40 EGEB CC(=O)Nc1cccc(/C(C)=N/NC(=S)NCc2ccccc2)c1 6312551 FMQVDBDQIKCXSO-FYJGNVAPSA-N 340.452 3.033 30 40 EGEB C=CCN(CC(F)(F)F)C(=O)c1ccc2c(c1)NC(=O)CCS2 65606434 RMKUPGSQFFSXPX-UHFFFAOYSA-N 344.358 3.311 30 40 EGEB Cc1cc(F)c(S(=O)(=O)/N=C(O)/C=C/c2ccccn2)cc1F 95443354 RNTMMVCNYFFYGL-AATRIKPKSA-N 338.335 3.027 30 40 EGEB N#Cc1cnc(N2CCCN(c3ccccc3C#N)CC2)c(Cl)c1 71867368 JHSGAUMTAJZZIK-UHFFFAOYSA-N 337.814 3.195 30 40 EGEB Cc1[nH]c2ccccc2c1/C=N/N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2CC1 408728351 KAWSRCZPXOZKBM-ZRFBJPMCSA-N 333.391 3.007 30 40 EGEB N#Cc1ccccc1OC1CCC(NC(=O)CC2(O)CCCC2)CC1 73584770 OZRLSNLLRQCUBW-UHFFFAOYSA-N 342.439 3.060 30 40 EGEB C=CCNC(=O)COc1cccc(-c2noc(-c3cccs3)n2)c1 33327448 RZOYMMUQDXOIOU-UHFFFAOYSA-N 341.392 3.146 30 40 EGEB CCOC1(C(=O)Nc2ccc(OC(C)=O)c(C#N)c2)CCCCC1 225830183 IZFMTKPDPHPTDY-UHFFFAOYSA-N 330.384 3.161 30 40 EGEB C[C@@H](CSc1ccc(C#N)c(C(F)(F)F)c1)CS(C)(=O)=O 96500997 ZAGGPKVUOXKWQS-VIFPVBQESA-N 337.388 3.350 30 40 EGEB COc1ccc(C(C)=O)cc1CC(=O)OCc1ccc(C#N)cc1F 32860279 HIHQUAOYSPPPRZ-UHFFFAOYSA-N 341.338 3.194 30 40 EGEB N#CCSCCCSc1nc2ncc(Br)cc2[nH]1 76091805 NTYAWVGVTUDKRW-UHFFFAOYSA-N 343.275 3.459 30 40 EGEB C=C(C)CN(CC)C(=O)C(=O)Nc1cccc(-c2nc(C)cs2)c1 154659154 ADJOUMHNOUZQQO-UHFFFAOYSA-N 343.452 3.482 30 40 EGEB Cn1c(SCCOc2ccc(C#N)cc2)nnc1-c1ccco1 11152063 SZHGKVWGIIVSFS-UHFFFAOYSA-N 326.381 3.118 30 40 EGEB Cc1cc(C)c(C#N)c(SCC(=O)c2ccc3c(c2)OCO3)n1 75941 ZAMFIUHZNDCNOD-UHFFFAOYSA-N 326.377 3.274 30 40 EGEB CCCCCCCCCCCCN1C(=O)N[C@H]2CS(=O)(=O)C[C@@H]21 59568669 UWYUNUUSSXMTPS-HOTGVXAUSA-N 344.521 3.098 30 40 EGEB CCC[C@]12C=C(OC)C(=O)[C@@H](C1=O)[C@H](c1ccc3c(c1)OCO3)[C@@H]2C 104247626 VZKISWAFIMEKDK-ZUVQBVFVSA-N 342.391 3.233 30 40 EGEB CCOc1cccc(/C=C/C(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1OC 12795999 JBXIWKYREYUNFK-CSKARUKUSA-N 338.363 3.160 30 40 EGEB COc1ccc(/C=N/OCC(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)cc1 100626556 KHBNNPYVSGEVEI-TVZYQXFDSA-N 344.455 3.473 30 40 EGEB C=CCN1C(=O)/C(=N/N=C/c2ccc(NC(C)=O)cc2)c2ccccc21 3341016 GCCIQFZLCRHJLV-UGQPSRDASA-N 346.390 3.001 30 40 EGEB CCN(CC)c1ccc(/C=C2/S/C(=N/C)N(C)C2=O)c(OC)c1 103589302 SVLDCNOTCXTLEJ-JQJQOIMSSA-N 333.457 3.073 30 40 EGEB Cc1ccc(C)c(S(=O)(=O)N/N=C/c2ccccc2OC(C)C)c1 2630856 OLDMHXOBHKWFBZ-XDHOZWIPSA-N 346.452 3.403 30 40 EGEB C#CCN(CC1CC1)C(=O)c1cc(OC)c(Br)s1 95443584 IULXRYTXROEOAZ-UHFFFAOYSA-N 328.231 3.005 30 40 EGEB N#Cc1oc2ccccc2c1NC(=O)COC(=O)CCc1ccccc1 15152698 UYLNAAHDQWDMQX-UHFFFAOYSA-N 348.358 3.419 30 40 EGEB COc1ccc(Br)cc1/C=N/c1ccc2[nH]c(=O)[nH]c2c1 16698680 YKCMOTYUIDEACC-CAOOACKPSA-N 346.184 3.378 30 40 EGEB COc1ccc(C)cc1CC(=O)OCCOc1ccc(C#N)cc1 17987357 HEJVULUUZKCEQV-UHFFFAOYSA-N 325.364 3.040 30 40 EGEB N#Cc1cccc(CNC(=O)N(C[C@H]2CCCO2)C2CCCC2)c1 84363837 VNAXUZKBBAMYHS-GOSISDBHSA-N 327.428 3.191 30 40 EGEB COc1ccc([C@H]2[C@@H](C#N)[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 218118246 BESUSWDQCYIADA-IKGGRYGDSA-N 347.823 3.428 30 40 EGEB CC(C)c1noc(CCC(=O)Nc2nc3ccccc3cc2C#N)n1 1615587014 IBXNSXKAZZNILZ-UHFFFAOYSA-N 335.367 3.184 30 40 EGEB C[C@@H](O)CCN(C)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 91247910 JLFFZGCWZZDSQQ-OAHLLOKOSA-N 337.423 3.138 30 40 EGEB C=CCNC(=S)Nc1cccc(C(=O)NCc2ccccc2)c1 2809089 DQHDZSRUMRFTNW-UHFFFAOYSA-N 325.437 3.089 30 40 EGEB C=CCN(CC=C)C(=O)CSc1nnc(-c2ccc(F)cc2)o1 1330186 SCDKZSRMALPPCP-UHFFFAOYSA-N 333.388 3.168 30 40 EGEB C[C@H]1CCc2c(sc(NC(=S)NC(=O)c3ccco3)c2C#N)C1 3096995 AHTZTOKJEIRBTO-VIFPVBQESA-N 345.449 3.464 30 40 EGEB CC1CCN(Cc2csc(NC(=O)c3cccc(C#N)c3)n2)CC1 36652206 XBWCDWKAKDYGRY-UHFFFAOYSA-N 340.452 3.499 30 40 EGEB Cc1cccc(C)c1NC(=S)N/N=C/c1ccc(C(=O)O)cc1 3342343 UBTQVKAPWCJWAX-VCHYOVAHSA-N 327.409 3.322 30 40 EGEB N#CCOc1ccc(NC(=O)c2ccc(N3CCCCC3=O)cc2)cc1 25320728 GCFXAGZINVUDHO-UHFFFAOYSA-N 349.390 3.358 30 40 EGEB Cc1ccc([C@H]2CN(c3nccc(C#N)c3[N+](=O)[O-])CCO2)c(C)c1 95414950 FJZSGYVFSQRCKT-MRXNPFEDSA-N 338.367 3.056 30 40 EGEB Cc1ccc(N/N=C/Cc2nnnn2-c2ccc(Cl)cc2)cc1 5544050 RFSQNVGFZLOLEC-WOJGMQOQSA-N 326.791 3.265 30 40 EGEB COc1cc(CCC(=O)Nc2ccc(C#N)cc2)cc(OC)c1OC 6640164 FPFYBEKPFQHYKL-UHFFFAOYSA-N 340.379 3.155 30 40 EGEB C=CCCO[C@@H](C)C(=O)NCc1ccc(OCC(F)(F)F)cc1 71832983 IMKREXGGONFJHB-LBPRGKRZSA-N 331.334 3.225 30 40 EGEB CCN(Cc1cccc2c1OCCO2)C(=O)c1cc(C#N)cs1 84095813 SQJJWCYMAXEQJE-UHFFFAOYSA-N 328.393 3.053 30 40 EGEB C=CCn1c(C(=O)O)c(I)c2ccccc21 62709396 JAXOVYHNXJRRNJ-UHFFFAOYSA-N 327.121 3.130 30 40 EGEB CCOc1c(OC)cc(C#N)cc1C(=O)OCC(=O)c1ccccc1 408583907 YPGOXGOULSBDER-UHFFFAOYSA-N 339.347 3.005 30 40 EGEB COC(=O)c1cccc(CSc2nc(N)c(C#N)c(C(C)C)n2)c1 225892570 FGUYBIBSSDDLCG-UHFFFAOYSA-N 342.424 3.133 30 40 EGEB C=CCN1CC[C@@H](Sc2nc(Cc3ccccc3)c(C)[nH]2)C1=O 225568450 ALKWWNWWRVRJCU-MRXNPFEDSA-N 327.453 3.188 30 40 EGEB CC1=C2C(=NC(=O)[C@H](C#N)[C@H]2c2cccc(Oc3ccccc3)c2)NN1 585145674 WSSMPNRMSPVDCQ-SJLPKXTDSA-N 344.374 3.023 30 40 EGEB N#Cc1nn(-c2ccccc2Cl)nc1N1CCc2ccccc2C1 256048656 VEFQFMAUADJDIG-UHFFFAOYSA-N 335.798 3.355 30 40 EGEB C#Cc1cccc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccccc2)c1 69657087 ODHBUDAJMCTOLX-GOSISDBHSA-N 333.391 3.303 30 40 EGEB COCCNC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 71795619 XIAUAXMGODMWCZ-UHFFFAOYSA-N 339.395 3.214 30 40 EGEB N#Cc1ccc(NCC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 21355396 WAQBLVURLNPFER-GXTWGEPZSA-N 325.334 3.207 30 40 EGEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C/C(=O)O)c2C#N)C1 367177 RLLYRVLFUBPTNA-VQCYPWCPSA-N 332.425 3.350 30 40 EGEB COc1cc(/C=N/c2sc(C)c(C)c2C(N)=O)cc(OC)c1OC 561289 OUTFLHZKMAJHTD-UFWORHAWSA-N 348.424 3.240 30 40 EGEB Cc1noc(C)c1CCC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl 103504494 KDRYCBVHRZIQOF-CYBMUJFWSA-N 345.786 3.225 30 40 EGEB Cn1c(N/N=C/C2=Cc3ccccc3OC2)nnc1-c1ccccc1 43986877 OYEHABLQBOYJOA-UDWIEESQSA-N 331.379 3.356 30 40 EGEB COc1cccc(S(=O)(=O)/N=C(\O)C2(c3cccc(C)c3)CC2)c1 58188033 DFPOSGCTZGGWBT-UHFFFAOYSA-N 345.420 3.381 30 40 EGEB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(Cc1ccc(C#N)cc1)C2=O 3405450 WGAGKZNBLMODGG-YJYMSZOUSA-N 325.412 3.195 30 40 EGEB CCCCOc1ccccc1[C@H]1C2=C(CCCC2=O)Nc2ncnn21 4368719 WWERDBQFQPIIRG-SFHVURJKSA-N 338.411 3.479 30 40 EGEB C[C@@H](OC(=O)c1cc2ccccc2o1)C(=O)NC1(C#N)CCCCC1 4332434 DTBJBRVSDZLDCZ-CYBMUJFWSA-N 340.379 3.321 30 40 EGEB C=CCn1c([C@@H](NC(=O)c2ccc(OC)cc2)C(C)C)n[nH]c1=S 4739088 ZWRZVLRVOBOHHW-AWEZNQCLSA-N 346.456 3.262 30 40 EGEB COC(=O)c1ccc([C@H]2[C@H](C(=O)c3ccccc3)C2(C#N)C#N)cc1 4899162 YRMIDASIVMKUSC-DLBZAZTESA-N 330.343 3.103 30 40 EGEB Cc1cccc([C@H]2CCCN2c2ncnc3c2cnn3CCC#N)c1 97199742 RORRWAPYLUJUIO-QGZVFWFLSA-N 332.411 3.390 30 40 EGEB CN(C)[C@H](CNc1cc(C#N)ccc1C(F)(F)F)c1cnn(C)c1 97163588 DPUORYJFQSQUIK-OAHLLOKOSA-N 337.349 3.025 30 40 EGEB Cc1cc(C)nc([C@H](C#N)C(=O)Cc2csc(-c3ccoc3)n2)n1 76018648 OOPYUSAAUMLZGF-CQSZACIVSA-N 338.392 3.229 30 40 EGEB C[C@]12CN(NC(=O)c3ccccc3Cl)[C@]3(C#N)C[C@H]1CC[C@]23C 35982078 XBCBLBTZXMRLHC-IUHNQTRMSA-N 329.831 3.389 30 40 EGEB N#Cc1ccc(Nc2cccc([C@H]3CCCN3Cc3cn[nH]c3)n2)cn1 585295430 ZECHPFSYRYBQFM-GOSISDBHSA-N 345.410 3.152 30 40 EGEB N#Cc1cc(C#N)c(SCc2cc(-c3cccs3)on2)nc1N 61410546 YPGOUYCZHLLCMY-UHFFFAOYSA-N 339.405 3.416 30 40 EGEB COc1cc(C#N)ccc1OC(=O)c1ccc(OC(F)F)c(OC)c1 15988259 UHTRKDVNTLROBP-UHFFFAOYSA-N 349.289 3.396 30 40 EGEB C[C@H](OC(=O)c1ccc(F)cc1F)C(=O)Nc1ccc(C#N)cc1 6354648 JKKHERRXPOUJJE-JTQLQIEISA-N 330.290 3.020 30 40 EGEB O=[N+]([O-])c1cc2c(cc1/C=N/NCc1ccccc1Cl)OCO2 8811615 QNVUGWIMIREOFK-QGMBQPNBSA-N 333.731 3.101 30 40 EGEB N#CC1(C(=O)NCC[C@@](O)(c2ccccc2)C(F)(F)F)CCCC1 95398884 DXASIECAENRQPP-MRXNPFEDSA-N 340.345 3.027 30 40 EGEB CCOc1ccc2nc3c(cc2c1)CN(CCOC)/C(=N\C)S3 100436987 QMFOXZXFXUJYET-ISLYRVAYSA-N 331.441 3.173 30 40 EGEB CCN(C[C@H](C)C#N)C(=O)Nc1ccc(OC)c(OC(F)F)c1 72309827 WSNOHLPBRYCHOY-SNVBAGLBSA-N 327.331 3.310 30 40 EGEB COc1ccc2c(c1)O/C(=C\c1ccccc1OC(=O)N(C)C)C2=O 4339914 SAUMXLUGUUOZOF-YVLHZVERSA-N 339.347 3.372 30 40 EGEB Cc1ccc(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)cc1 14163451 KHZKTRMNANGARB-IBGZPJMESA-N 337.398 3.157 30 40 EGEB N#C[C@H](C(=O)c1ccn2cncc2c1)c1nc(-c2ccncc2)cs1 97034286 UQXQQCLLIDIHCD-OAHLLOKOSA-N 345.387 3.343 30 40 EGEB C=CCCO[C@H](C)C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 71909306 MXFZCFWSIZCTPK-IAGOWNOFSA-N 330.472 3.309 30 40 EGEB C[C@@H](C#N)Sc1nnc(CN2CCCCC2)n1Cc1ccccc1 8754337 MXEIKVBILDNPTM-HNNXBMFYSA-N 341.484 3.316 30 40 EGEB C[C@H](/N=C(\NCc1ccccn1)NC[C@@H]1CCCO1)c1cccs1 84661294 JURRRJOGJJOLFG-HOCLYGCPSA-N 344.484 3.119 30 40 EGEB COc1cc(OC)c(/C(O)=N/CC2C[C@H](C)O[C@@H](C)C2)cc1OC 330518286 OJERHDPKFDDVIE-RYUDHWBXSA-N 337.416 3.221 30 40 EGEB COCCn1cc(C/N=C(/O)Nc2ccc(C(C)C)c(F)c2)cn1 330032293 LPGZYNNSEHXWET-UHFFFAOYSA-N 334.395 3.318 30 40 EGEB C=CCCC(=O)NCc1nn(C2CCCC2)c(=O)c2ccccc12 90530832 JQYZXSZBPWWESZ-UHFFFAOYSA-N 325.412 3.094 30 40 EGEB C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H](C(N)=O)C1 252483996 FLSSRYUYARXJNZ-OAHLLOKOSA-N 329.444 3.268 30 40 EGEB CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1B1OC(C)(C)C(C)(C)O1 953089934 GTXYXMHSGVXMDQ-JTQLQIEISA-N 333.184 3.263 30 40 EGEB C[C@H](Nc1snc(Cl)c1C#N)c1ccc(S(C)(=O)=O)cc1 44974987 TVJRCDRPJQBHFU-QMMMGPOBSA-N 341.845 3.245 30 40 EGEB C=CCOc1ccc(NC(=O)C(=O)NCCC2=CCCCC2)cc1 408708910 NBLCRRLGIQHKLB-UHFFFAOYSA-N 328.412 3.197 30 40 EGEB COc1ccc(CN2C(=O)CS/C2=N/N=C/c2ccccc2)cc1 2351470 PTVSIGLSUZUGMF-DSTXHIGZSA-N 339.420 3.161 30 40 EGEB Cc1cc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)n(CCC#N)n1 58224050 HGVSMVQTIKJREM-LBPRGKRZSA-N 332.791 3.165 30 40 EGEB N#Cc1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)sc2c1CCCC2 2707844 YIGOKRMCEPRFIQ-RYUDHWBXSA-N 332.425 3.328 30 40 EGEB Cc1cc(C)c(C#N)c(S[C@@H](C(=O)N(C)C)c2ccccc2)n1 6980660 RIEQKGNLSHDZBX-MRXNPFEDSA-N 325.437 3.492 30 40 EGEB N#Cc1cccc(NC(=O)[C@@H](c2ccccc2)N2CCCCC2=O)c1 71795707 ZESKASPJLAQHBV-LJQANCHMSA-N 333.391 3.251 30 40 EGEB CC(=O)Nc1cccc(NC(=O)COc2ccc(C#N)cc2Cl)c1 7856479 PAEJRWSSQOYZHG-UHFFFAOYSA-N 343.770 3.188 30 40 EGEB N#Cc1c(Cl)nsc1N[C@H]1CCN(c2ccccc2F)C1=O 71900454 YVYNCVCETUFAEN-JTQLQIEISA-N 336.779 3.025 30 40 EGEB C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 69737995 MZPXWNGGGMQQAV-GOEBONIOSA-N 341.411 3.381 30 40 EGEB Cc1csc([C@@H](C#N)C(=O)c2ccnc(OCC(F)(F)F)c2)n1 95404919 WABTXGMTOIUGJU-JTQLQIEISA-N 341.314 3.278 30 40 EGEB CS(=O)(=O)Cc1ccc(C(=O)Nc2cc(C#N)ccc2Cl)cc1 88227928 FFICVDLIQHCGJQ-UHFFFAOYSA-N 348.811 3.009 30 40 EGEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC1CCCCCCC1 9953544 ZHJPWKZJVCCZIS-UHFFFAOYSA-N 329.444 3.025 30 40 EGEB C=CCOc1cccc(-n2nc3cc(N)c(Br)cc3n2)c1 216871275 GAICLBNDPHHQCR-UHFFFAOYSA-N 345.200 3.330 30 40 EGEB Cc1nc(C)c(/C(O)=N/C[C@@H]2C[C@H](F)CN2Cc2cccs2)o1 329989172 UWNRMEGJSPZRJE-STQMWFEESA-N 337.420 3.270 30 40 EGEB Cc1nc(SCC(=O)Nc2ccccc2C#N)c(C#N)c(C)c1C 5172591 ZCYHLHIKHRUJNC-UHFFFAOYSA-N 336.420 3.481 30 40 EGEB N#Cc1ccccc1COC(=O)C[C@H]1Sc2ccccc2NC1=O 5228801 HTYDSMXQYMNWES-MRXNPFEDSA-N 338.388 3.105 30 40 EGEB N#Cc1ccc(OCC(=O)N(Cc2cccnc2)Cc2ccco2)cc1 40489900 LVDBLHZREXYVPN-UHFFFAOYSA-N 347.374 3.154 30 40 EGEB Cc1nc(-c2ccccc2)ccc1C(=O)[C@@H](C#N)C(=O)NC1CCCC1 102051176 KUZDAWXUUGXOKQ-GOSISDBHSA-N 347.418 3.438 30 40 EGEB N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccncc2)cc1Cl 44937360 UYEHGRVFSBVDPO-INIZCTEOSA-N 347.827 3.132 30 40 EGEB COC(=O)[C@@H]1C(O)=C(/C(C)=N/c2ccccc2O)C(=O)CC1(C)C 103915587 QXJHHIUAUNEMIL-RPJLVFAOSA-N 331.368 3.085 30 40 EGEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 12905273 VHSJKFJOMJSRAA-SNVBAGLBSA-N 346.289 3.286 30 40 EGEB CC1CCN(C(=O)C2CCN(c3ncc(C#N)cc3Cl)CC2)CC1 65531464 JNFKYUWQXPQSBJ-UHFFFAOYSA-N 346.862 3.082 30 40 EGEB O=C(O)c1ccc(/C=C/C(=O)c2cccc(N3CCCC3=O)c2)cc1 7350118 NRKOBTJAEOYFQW-DHZHZOJOSA-N 335.359 3.408 30 40 EGEB C=CCn1c(S[C@H](C)c2nnc(CC)o2)nc2ccccc2c1=O 71893893 SVMLQVWTNVRDOP-LLVKDONJSA-N 342.424 3.381 30 40 EGEB C=C1[C@@H](C(=O)Nc2ccccc2F)[C@H]1C(=O)Nc1ccccc1F 18090014 MGKPWIQRHNFDDV-IYBDPMFKSA-N 328.318 3.344 30 40 EGEB COc1cc(C)c(S(=O)(=O)Nc2ccc(CC#N)cc2)cc1C 121230545 ZIQSLRKUCITOET-UHFFFAOYSA-N 330.409 3.179 30 40 EGEB N#Cc1cccc(NC(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)c1 67014101 ASQAYDCEHMUOBR-QGZVFWFLSA-N 343.333 3.442 30 40 EGEB COc1ccccc1[C@@H]1Nc2nonc2NC2=C1C(=O)CC(C)(C)C2 12390455 GKRRZXYTXRUJIC-HNNXBMFYSA-N 340.383 3.300 30 40 EGEB CC(=O)[C@@H]1OC(=O)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]12C 252515701 MWNGEGBEVJTPIP-VQGUNAKRSA-N 342.435 3.405 30 40 EGEB biogenic,in-vitro N#Cc1cccc(C(=O)N2CC[C@@H](c3noc(-c4ccccc4)n3)C2)c1 238838382 HGPJPAHSNKDMGY-QGZVFWFLSA-N 344.374 3.238 30 40 EGEB N#Cc1ccccc1-c1ccccc1C(=O)N[C@H]1CCN(C2CC2)C1 57553789 YJFHHXJMDVMDJL-INIZCTEOSA-N 331.419 3.192 30 40 EGEB O=C(CO/N=C/c1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 5348688 AXUGRNORTLDOLR-RQZCQDPDSA-N 333.731 3.237 30 40 EGEB CCOc1ccc(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)cc1 14198317 GNCUVVSSEQCXSD-FQEVSTJZSA-N 349.434 3.108 30 40 EGEB CC/N=C1\S[C@@H](CC(=O)Nc2c(C)cc(C)cc2C)C(=O)N1CC 5705712 NSWSTHHLQCSPJL-JGWKNBOWSA-N 347.484 3.280 30 40 EGEB Cc1ccnc(-n2c(SCCCC#N)nc3ccccc3c2=O)c1 5922954 CFYUOGUNVUZNHV-UHFFFAOYSA-N 336.420 3.485 30 40 EGEB C=CCn1c(C)cc(C(=O)Cn2nc(-c3cccs3)oc2=O)c1C 7251668 IRBPUDQOCSAGJQ-UHFFFAOYSA-N 343.408 3.052 30 40 EGEB CCC(=O)N1CCC[C@H](C(=O)[C@@H](C#N)c2nc3ccccc3s2)C1 69655718 XSBAIEZAXSHWMP-QWHCGFSZSA-N 341.436 3.121 30 40 EGEB Cc1cncc(C(=O)OC2CCN(Cc3ccccc3C#N)CC2)c1 95426588 HPJNCMPJCHAOJS-UHFFFAOYSA-N 335.407 3.083 30 40 EGEB N#C[C@@H]1CCCC[C@@H]1OC(=O)c1ccc(Cn2cc(Cl)cn2)o1 71905072 NOTABXJACCDBJM-FZMZJTMJSA-N 333.775 3.417 30 40 EGEB Cc1oc2ncnc(NC(=O)[C@H](C)Oc3ccc(C#N)cc3)c2c1C 72235815 DXMDTTSBPBPIEU-LBPRGKRZSA-N 336.351 3.117 30 40 EGEB N#Cc1ccc(N2Cc3cc(Br)ccc3OCC2=O)cc1 67323747 ZAFNRKZGFCBBND-UHFFFAOYSA-N 343.180 3.246 30 40 EGEB COc1ccc(-c2cc(-c3ccc(N)cc3)nc(N)c2C#N)cc1OC 19095808 YEGDJFAAAMWXCR-UHFFFAOYSA-N 346.390 3.469 30 40 EGEB C[C@H](c1ccc(C#N)cc1)N1CCC(CN2CCCCC2=O)CC1 72663955 NBQBYMFZGPLNHB-MRXNPFEDSA-N 325.456 3.344 30 40 EGEB N#Cc1ccc(C(=O)NCCCn2ncc3c(Cl)cccc32)cc1 71196080 NTWVBCLHTXUAFD-UHFFFAOYSA-N 338.798 3.381 30 40 EGEB FC(F)Oc1ccc(/C=N/NC(=S)NCc2ccccc2)cc1 3223201 IADAFNMGYLHZOX-RGVLZGJSSA-N 335.379 3.286 30 40 EGEB C=CCn1c(S[C@@H](C(=O)OCC)C(C)C)nnc1-c1ccco1 95414352 GCSCFMLHRDWBMY-CYBMUJFWSA-N 335.429 3.404 30 40 EGEB O=S(=O)(/N=C(O)/C=C/c1cncc(F)c1)c1ccc(Cl)s1 95443012 ZNLDLRFOYBVDGR-HNQUOIGGSA-N 346.792 3.294 30 40 EGEB CCn1c(N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)nc2ccccc21 408692374 LCWDYPQBJFDDHA-WOJGMQOQSA-N 339.355 3.419 30 40 EGEB Cc1cc(NCc2cccc(N)n2)n2c(nc3ccccc32)c1C#N 1612970268 WBWTVPUIECLGSH-UHFFFAOYSA-N 328.379 3.257 30 40 EGEB N#Cc1cc2c(n(Cc3ncc(-c4ccc(F)cc4)o3)c1=O)CCC2 1641448118 LQNHAQKARKMJQS-UHFFFAOYSA-N 335.338 3.051 30 40 EGEB CCN(C(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 203713676 RDTPKDBWIRXHRH-UHFFFAOYSA-N 348.252 3.142 30 40 EGEB COc1ccc(/C=N\OCC(=O)Nc2cccc(C)c2)cc1OC 35353028 UKOFLLJCCUDPLZ-ODLFYWEKSA-N 328.368 3.001 30 40 EGEB CCOC1CCN(C(=O)NCCSCc2ccccc2C#N)CC1 50099237 AJMXRYBEUMCWJC-UHFFFAOYSA-N 347.484 3.002 30 40 EGEB COc1ccc2c(c1)CCN1C3=C(C(=O)CCC3)/C(=N/O)[C@H](C)[C@H]21 100743960 XSIADMNIROSUHT-LDQGIYSBSA-N 326.396 3.081 30 40 EGEB biogenic C#CCCCOC(=O)c1ccc(CS(=O)(=O)c2ccccc2)cc1 52745537 PLNHIKACQDNLCA-UHFFFAOYSA-N 342.416 3.231 30 40 EGEB CCOC(=O)[C@@H](C#N)[C@@H]1C=Cc2ccccc2N1C(=O)c1ccccc1 1621989 GADFRXVPCPNYRH-HKUYNNGSSA-N 346.386 3.432 30 40 EGEB COc1ccc(C(=O)ON=C2CC(C)(C)N(C(C)=O)C(C)(C)C2)cc1 1399273 JCUSCJJIZJQKKE-UHFFFAOYSA-N 346.427 3.408 30 40 EGEB C[C@H]1CCc2c(sc(NC(=O)c3cccc(C#N)c3)c2C(N)=O)C1 12854190 GAMMTQBCNUPSTP-JTQLQIEISA-N 339.420 3.096 30 40 EGEB CC1=C2[C@H]3OC(=O)[C@@H](CN4CCC[C@H](C)C4)[C@@H]3CC[C@@]2(C)C=CC1=O 4027315 DOKPHLDPKYIWJE-MCMGAVPUSA-N 343.467 3.132 30 40 EGEB biogenic CCC[C@H]1CC(=O)C2=C(C1)Nc1nnnn1[C@H]2c1ccc(Cl)cc1 6558850 PEBWERFCBZPHEM-HWPZZCPQSA-N 343.818 3.375 30 40 EGEB COc1ccc2c(c1)O/C(=C\c1cc(OC)c(OC)c(OC)c1)C2=O 5960271 GAXLSBBBMDPMSE-CHHVJCJISA-N 342.347 3.337 30 40 EGEB biogenic C/C(=N\Nc1ccc(C(=O)O)cc1)c1ccc(N2CCCC2=O)cc1 7852291 IXGWWUYVNNDWHT-DEDYPNTBSA-N 337.379 3.348 30 40 EGEB C=CCc1cc(/C=C2/S/C(=N/CC)N(CC)C2=O)cc(OC)c1O 408930658 AFQPYYWQSJRYKB-IPGLUOITSA-N 346.452 3.441 30 40 EGEB CCOc1ccc(-c2nc(CC(=O)N(C)CCC#N)cs2)cc1 71861517 GKAGMWYIRWIFQD-UHFFFAOYSA-N 329.425 3.123 30 40 EGEB CC(=O)Nc1cc(F)c(F)cc1NCCOc1cccc(C#N)c1 72301928 YULTUJZJDXTYFM-UHFFFAOYSA-N 331.322 3.286 30 40 EGEB Cc1ccc(S(=O)(=O)O[C@H]2CN(C)CC=C2c2ccccc2)cc1 31960425 KXDRDYQUBGMPQT-IBGZPJMESA-N 343.448 3.098 30 40 EGEB O=C(Nc1nnc(C(F)(F)F)s1)C(C(F)(F)F)C(F)(F)F 2237941 INFKDBWJVKQVMY-UHFFFAOYSA-N 347.162 3.236 30 40 EGEB biogenic CSc1nc(O)c(C(=O)N[C@H]2c3ccccc3C[C@@H]2C)cc1C#N 77009816 KBAKZJWNAYVRJV-ZUZCIYMTSA-N 339.420 3.044 30 40 EGEB COc1ccc([C@H](NC(=O)N(C)[C@H](C)CC#N)C(F)(F)F)cc1 97100286 SAZGIKSNFZMRFM-MFKMUULPSA-N 329.322 3.242 30 40 EGEB C[C@@H](NCC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(C#N)cc1 611381778 MMJZAOYSRVEDEG-RWLLOJOVSA-N 337.467 3.294 30 40 EGEB COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)NC(=S)[C@H]2C#N)cc1 5231367 NMOREFXOAWLKJQ-XJKSGUPXSA-N 340.448 3.492 30 40 EGEB Cc1nc(NC[C@@H]2CCCO[C@H]2c2cc[nH]n2)c(Cl)cc1C#N 591635323 HFWQCWDNXCXIGC-XHDPSFHLSA-N 331.807 3.218 30 40 EGEB N#CCCN(C(=O)CCc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 73052555 IYKYHITVWGOMHX-UHFFFAOYSA-N 344.802 3.227 30 40 EGEB N#Cc1ccccc1N1CCC(NC(=O)[C@H]2C[C@H]2c2ccccc2)CC1 72293134 LGIPDFBRHGJMGN-PMACEKPBSA-N 345.446 3.447 30 40 EGEB CSc1nc(C)c(CCC(=O)Nc2ccc(C#N)cc2)c(C)n1 12861367 YNAFADMBADEZKZ-UHFFFAOYSA-N 326.425 3.258 30 40 EGEB C=CCn1c(C)cc(C(=O)COC(=O)c2n[nH]c3ccccc23)c1C 4823155 CVEXXHYWAOZDBE-UHFFFAOYSA-N 337.379 3.207 30 40 EGEB C=C(C)CN(CC)C(=O)C(=O)c1cc(Br)ccc1OC 71882481 VYUICYDXQKNZOP-UHFFFAOYSA-N 340.217 3.065 30 40 EGEB N#CCCN(Cc1ccco1)C(=O)CCC(=O)c1ccc(F)cc1F 69458010 GTNLNWUWKSRULU-UHFFFAOYSA-N 346.333 3.463 30 40 EGEB C=C(C)CN1CCC(NC(=O)N(C)[C@@H](C)Cc2ccc(O)cc2)CC1 95436900 UHFMMUXZCQUAJR-INIZCTEOSA-N 345.487 3.005 30 40 EGEB N#CCCCn1ccc(NC(=O)c2ccc3[nH]c(=S)oc3c2)n1 73799978 ZZRWNNNLXRFXDI-UHFFFAOYSA-N 327.369 3.243 30 40 EGEB CC(C)(C)n1nc(Cc2ccc(Br)cc2)c(C#N)c1N 225835302 CBZGBVWXMADNCZ-UHFFFAOYSA-N 333.233 3.445 30 40 EGEB N#Cc1ccc(OC[C@@H](O)CN2CCC[C@H]2c2ccc(F)cc2)cc1 245237501 LEYNECFAONOHFO-ICSRJNTNSA-N 340.398 3.274 30 40 EGEB N#Cc1ccc(N2CCC3(CCN(Cc4ccccc4)CC3)CC2)nn1 585137735 RIRUIJSJEWBXAF-UHFFFAOYSA-N 347.466 3.231 30 40 EGEB C=CCNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1 257281208 OOCUQWUYGMGKAT-UHFFFAOYSA-N 336.435 3.390 30 40 EGEB S=C(N/N=C1/CCCc2nc(-c3ccccc3)sc21)NC1CC1 60799628 MHQJWGOTMPZCES-ZHZULCJRSA-N 342.493 3.477 30 40 EGEB O=C(O)COc1cccc(/C=N/Nc2nc3ccccc3s2)c1 5123742 JUGQOHPWZJBMBI-RQZCQDPDSA-N 327.365 3.206 30 40 EGEB Cc1nnc(N2CCC[C@H]2c2ccc3c(c2)OCCO3)c(C#N)c1C 24053983 CRFSGGSKRDOGNU-INIZCTEOSA-N 336.395 3.078 30 40 EGEB CC(=O)OC[C@H]1[C@H]2[C@@H]3CCC4=C3[C@@H]3[C@H](C4=O)[C@@H]4[C@H]5CCC[C@@H]5[C@@H]1[C@H]4[C@@H]32 101139400 ACNQABZCVSHDBM-LAWBOOSYSA-N 338.447 3.239 30 40 EGEB C[C@H]1C[C@@H]1C(=O)NCCC(=O)Nc1ccccc1SC[C@H](C)C#N 106585885 HYBDWEWLSMXGEV-RDBSUJKOSA-N 345.468 3.039 30 40 EGEB C=CCNc1nc(C(=O)O[C@H](C)C(=O)Nc2cccc(C)c2)cs1 10134337 ACUPGHVRNREAIV-GFCCVEGCSA-N 345.424 3.233 30 40 EGEB COc1cn(-c2ccccc2)nc1C(=O)N(CCC#N)[C@@H](C)C1CC1 65550352 QRAQWBQACQYYNQ-AWEZNQCLSA-N 338.411 3.035 30 40 EGEB CN(C(=O)COc1ccc(Cl)c2cccnc12)C1(C#N)CCC1 66321767 AIYZXLWEUJJKCW-UHFFFAOYSA-N 329.787 3.172 30 40 EGEB CCC(=O)N1CCC[C@H]1[C@@H]1CCCN1Cc1ccc(F)cc1C#N 69668086 ZTNOAAHURNCKGY-ROUUACIJSA-N 329.419 3.063 30 40 EGEB N#Cc1ccc(OCc2cccc(C(=O)NC[C@H]3CCCO3)c2)cc1 79355847 RIGFYXAHLNYDPI-LJQANCHMSA-N 336.391 3.046 30 40 EGEB CC[C@@H](C#N)Sc1nnc(-c2ccccn2)n1Cc1ccco1 127851634 XEFQMOKRHUKXRM-ZDUSSCGKSA-N 325.397 3.376 30 40 EGEB N#Cc1cccc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1 325621669 JJXLGPSEOOTAMW-UHFFFAOYSA-N 332.329 3.299 30 40 EGEB Cc1ccc(CNS(=O)(=O)CC2(C#N)CC2)c(OC2CCCC2)c1 96503194 XBMQBLURCXNQTH-UHFFFAOYSA-N 348.468 3.040 30 40 EGEB C[C@@H](Nc1c(Cl)cccc1C#N)c1cccc(S(N)(=O)=O)c1 96453260 YXLKVYYXGBBEIC-SNVBAGLBSA-N 335.816 3.032 30 40 EGEB C#CCN(CC(=O)N1CCc2ccccc2C1)Cc1ccc(C)cc1 60099549 BSHGDAYFDPMUQD-UHFFFAOYSA-N 332.447 3.015 30 40 EGEB N#CCCN(Cc1ccc(Br)c(F)c1)C[C@H]1CCOC1 95407294 JJXABUNATOZOSS-CYBMUJFWSA-N 341.224 3.340 30 40 EGEB Cc1cc(O)c(CN2CCN(c3cccc(F)c3C#N)CC2)cc1C 42094753 XTAIWVWVRDPQDQ-UHFFFAOYSA-N 339.414 3.342 30 40 EGEB C[C@H](OC(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 104006976 VMJCRDFZATXZJK-YAHNNNEBSA-N 340.423 3.044 30 40 EGEB CN(Cc1ccccc1)C1=CC(=O)C(N(C)Cc2ccccc2)=CC1=O 1664758 XCKRZOKZZDLXJU-UHFFFAOYSA-N 346.430 3.170 30 40 EGEB COC(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)Nc1ccc(C#N)cc1 79097550 VJZPDTUNRJRLJW-CVEARBPZSA-N 329.400 3.192 30 40 EGEB C=CCNC(=S)Nc1ccc(-c2nnc3n2CCCCC3)cc1 4063916 FLZHTOVEPUMUMW-UHFFFAOYSA-N 327.457 3.144 30 40 EGEB C[C@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)c1nccs1 106325683 HKPSSFOGZTZCFS-QMMMGPOBSA-N 338.339 3.499 30 40 EGEB CC(C)(C#N)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 25439403 AGDFRQCZMJSLBI-UHFFFAOYSA-N 325.324 3.354 30 40 EGEB N#CC1(NC(=O)CNc2ccc(OC(F)F)c(Cl)c2)CCCC1 36874927 JDHKRAWQESETMI-UHFFFAOYSA-N 343.761 3.306 30 40 EGEB Cc1c(C(=O)OCC(=O)Nc2ccc(C#N)cc2)oc2ccccc12 2635562 SLIUFROKDUMTQJ-UHFFFAOYSA-N 334.331 3.408 30 40 EGEB CCCCOc1ccc(/C=C/C(=O)[C@H]2C(=O)C=C(C)OC2=O)cc1 3581917 WQEGPJQOWCVLJN-HKMNZKMDSA-N 328.364 3.094 30 40 EGEB C=CCn1c(COc2cccc3ccccc23)nn(CO)c1=S 6662258 WAYPCOGQUZSWHF-UHFFFAOYSA-N 327.409 3.282 30 40 EGEB C=CCN1C(=O)/C(=C\c2ccc(Br)o2)SC1=S 15011426 SNVFRDZNVBEYKO-SOFGYWHQSA-N 330.228 3.429 30 40 EGEB COc1ccc([C@H](CNC(=O)c2ccc(C#N)cc2)N2CCCC2)cc1 6938559 MFTMSDJJDBSMTD-FQEVSTJZSA-N 349.434 3.134 30 40 EGEB CC(C)c1ccc([C@]2(C)NC(=O)N(C[C@H](C#N)CCC#N)C2=O)cc1 7206920 JWSFONPXYFRKPC-LIRRHRJNSA-N 338.411 3.021 30 40 EGEB COCCOCc1cc(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)ccc1F 96426536 XHJRUJZPJLZQTN-LIRRHRJNSA-N 348.418 3.191 30 40 EGEB C[C@@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1cccc(C#N)c1 7848359 SIBKYUPPEUYXJA-CQSZACIVSA-N 348.406 3.124 30 40 EGEB N#Cc1cc2c(nc1N1CCC[C@H](c3nncn3C3CC3)C1)CCCC2 91627798 FLRMEUJBKCLRBQ-HNNXBMFYSA-N 348.454 3.142 30 40 EGEB Cc1nc([C@H]2CCCCCN2C(=O)Nc2cccc(C#N)c2)no1 95999055 SROMVBKGWIEGLN-OAHLLOKOSA-N 325.372 3.399 30 40 EGEB CC(C)N1CC[C@@H](NC(=O)C(C)(C)C#N)[C@@H]1c1ccc(F)c(F)c1 95995429 NUYNQKPYNSNZRU-CVEARBPZSA-N 335.398 3.155 30 40 EGEB COc1ccc(/N=C\c2cc(OC)c(N3CCCC3)cc2OC)cn1 409106483 NQBIGNGYLWMYRR-NDENLUEZSA-N 341.411 3.458 30 40 EGEB N#Cc1ccccc1CO/N=C(\N)CC(=O)Nc1ccccc1Cl 97604506 ZUDMUXAGVJAQHS-UHFFFAOYSA-N 342.786 3.029 30 40 EGEB N#Cc1cccc(/C=C/C(=O)c2c(F)cccc2N2CCOCC2)c1 72295138 OGWVOJUOCHYULW-BQYQJAHWSA-N 336.366 3.430 30 40 EGEB Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Br)o2)c1 100871157 IYSYIJVISBZHRY-LLVKDONJSA-N 347.168 3.312 30 40 EGEB CCOc1cc(/C=N/n2c(C)nnc2S)ccc1OCC(C)C 8227558 HLYCAVHYXJZJPG-RQZCQDPDSA-N 334.445 3.191 30 40 EGEB CCc1ccc(-c2c[nH]nc2/C=N/n2c(S)nnc2C(F)F)cc1 8338695 ZUUCASZFFCLTAL-UFWORHAWSA-N 348.382 3.339 30 40 EGEB COC(=O)COc1ccc2c(c1)O/C(=C\c1sccc1C)C2=O 546269 CWSHICHTYDGNIW-ZSOIEALJSA-N 330.361 3.225 30 40 EGEB N#CCC[C@H](C#N)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 32514435 HLENHQQPESXTDA-CQSZACIVSA-N 336.361 3.271 30 40 EGEB CC(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1 535237 IFMLKNGOPSNUJP-INIZCTEOSA-N 338.319 3.084 30 40 EGEB N#C[C@H](Sc1nncn1CCc1ccccn1)C1CCCCC1 71908693 XLWNFCJYRFGZCQ-INIZCTEOSA-N 327.457 3.480 30 40 EGEB CCOc1ccc(CC/C(O)=N/c2nc(C(F)(F)F)n[nH]2)cc1 55192948 ONPAAXBALNTLDR-UHFFFAOYSA-N 328.294 3.443 30 40 EGEB C=CCN(C(=O)CN1CCC[C@H]1c1cc(C)no1)c1ccccc1 48280038 WNVBRHACHPCSDR-KRWDZBQOSA-N 325.412 3.339 30 40 EGEB Cc1ccc(S(=O)(=O)N/N=C2\[C@@H]3C=C/C=C/[C@@H](C=C3)[C@H]2C)cc1 104280945 NJKAGWLHGKJNOV-KWLJGNQBSA-N 328.437 3.194 30 40 EGEB C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H](C(F)(F)F)C1 29784968 PZGXMAQPUILAKC-DGCLKSJQSA-N 326.318 3.126 30 40 EGEB C=CCN1C(=O)[C@](O)(CC(=O)c2ccccc2Cl)c2ccccc21 4784391 RQUKJOBHUCXPFK-IBGZPJMESA-N 341.794 3.333 30 40 EGEB N#CCCN(Cc1cccnc1)C(=O)c1ccc(CN2CCCC2)cc1 69485293 MKDFUTOJLCRBAL-UHFFFAOYSA-N 348.450 3.233 30 40 EGEB C[C@H](CC#N)N(C)C(=O)Nc1ccc(CCN2CCCCC2)cc1 86283763 OKLAKQAFAGRKAN-MRXNPFEDSA-N 328.460 3.481 30 40 EGEB CCn1nc(C)c(/C=C/C(=O)c2cnn(-c3ccccn3)c2C)c1C 96450089 HCMLNZVYJVQUTK-MDZDMXLPSA-N 335.411 3.305 30 40 EGEB C=C(C)CN(C)C(=O)Nc1ccc(NC(C)=O)cc1Br 97047332 FNMJMKZVLFZZGQ-UHFFFAOYSA-N 340.221 3.447 30 40 EGEB CN(C)c1cc[n+](/C=C/C(=O)c2cccc(Br)c2)cc1 5525047 DXVMKAHRHHWXNO-DHZHZOJOSA-N 332.221 3.156 30 40 EGEB COc1cc2c(cc1OC)[C@@H]1C/C(=N\O)[C@@H](CC(C)C)CN1CC2 12401412 APWMOWABPJKXTE-ZDWDIULSSA-N 332.444 3.499 30 40 EGEB COc1ccc([C@@H](C)NC(=O)Cn2cc(C#N)c3ccccc32)cc1 85558651 NTOAYWGAIHQNNP-CQSZACIVSA-N 333.391 3.399 30 40 EGEB C[C@@H](CC(=O)[C@H](C#N)C(=O)Nc1ccccn1)c1ccc(F)cc1 103717467 PNMKKOHWQDTUTQ-WFASDCNBSA-N 325.343 3.062 30 40 EGEB C=CCOc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)cc1 7504872 RDHZAQVWKJTQQJ-UHFFFAOYSA-N 338.407 3.340 30 40 EGEB Cc1ccnc(S(=O)(=O)/N=C(\O)Cc2ccc3ccccc3c2)c1 72283435 HVQSXLSGBNOLED-UHFFFAOYSA-N 340.404 3.431 30 40 EGEB COc1ccc(OC)c([C@@H]2NC(=O)N(C)C3=C2C(=O)CC(C)(C)C3)c1 28628059 GVCSGFLOYINQHN-KRWDZBQOSA-N 344.411 3.043 30 40 EGEB C#CCN1CCC(C(=O)NCC(c2ccccc2)c2ccccc2)CC1 58226445 GJTOCYQXYWRWBZ-UHFFFAOYSA-N 346.474 3.280 30 40 EGEB C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2ccccc2C#N)C1=O 2627607 GBDNSBSDNPCNOF-SFHVURJKSA-N 339.782 3.179 30 40 EGEB N#Cc1ccc(CN2CCCN(C(=O)C3CCCCC3)CC2)cc1 29983662 WYQZSELCFARCIU-UHFFFAOYSA-N 325.456 3.173 30 40 EGEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)[C@H]3C[C@H]3C)c2)c1 12988658 MKIUZVRDWUZZCW-KUHUBIRLSA-N 333.387 3.468 30 40 EGEB Oc1ccc(-c2cs/c(=N\C3CC3)n2N=C2CCCC2)c(O)c1 14484477 SDUWXOVZYXSBTL-ZCXUNETKSA-N 329.425 3.469 30 40 EGEB O=C(/C=C/c1cc2c(cc1Br)OCO2)c1cccnc1 7739676 IPOJGVIADCOTMT-ONEGZZNKSA-N 332.153 3.469 30 40 EGEB C/N=C(/NCc1ncccc1C)N[C@H](C)c1cccc(-n2cccn2)c1 86125582 ZDFPAJXVHFRXCW-MRXNPFEDSA-N 348.454 3.002 30 40 EGEB N#C[C@H](C(=O)Nc1nccs1)c1ncc(C(F)(F)F)cc1Cl 89885330 ALGTZGJXGCBIBU-ZETCQYMHSA-N 346.721 3.456 30 40 EGEB CCc1cc2c(N/N=C/c3cc([N+](=O)[O-])ccc3O)ncnc2s1 35188446 FKOAATPMLBSOOE-CNHKJKLMSA-N 343.368 3.314 30 40 EGEB CC1=C(C)/C(=N\OC(=O)c2ccccc2Br)C=CC1=O 33293737 FRWODXDBRNXPNF-LGMDPLHJSA-N 334.169 3.437 30 40 EGEB COc1ccc(CN2C(=O)/C(=N\O)c3cc(C)cc(C)c32)cc1OC 46084849 FQFQTVILKCSRGD-JZJYNLBNSA-N 340.379 3.046 30 40 EGEB C#CCCC1(CCC(=O)NC[C@@H](c2ccco2)N2CCCCC2)N=N1 1615000604 ZXNXJSCXGQFMFY-INIZCTEOSA-N 342.443 3.279 30 40 EGEB N#CC1CCN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC1 189473525 XWWAACHOEJOQQO-UHFFFAOYSA-N 337.203 3.057 30 40 EGEB N#Cc1ccccc1CSc1nnc(-c2ccc(Cl)cc2)n1N 5170577 HGRQHCIYLOLHOO-UHFFFAOYSA-N 341.827 3.476 30 40 EGEB Brc1cccc(/C=N/N2CCN(c3ccccn3)CC2)c1 100573881 ZLRPTDMMSNZRQZ-CPNJWEJPSA-N 345.244 3.000 30 40 EGEB C=CCc1cc(CNC(=O)c2cccnc2S)cc(OC)c1OC 51467758 DLEYUUXHWHFAIP-UHFFFAOYSA-N 344.436 3.046 30 40 EGEB N#Cc1ccc(NC(=O)[C@@H](SCC(=O)O)c2ccccc2)cc1 1402924 OPPQMCFNCKIGQX-INIZCTEOSA-N 326.377 3.056 30 40 EGEB CN(C(=O)c1ccccc1NC(=O)CSCC#N)C1CCCCC1 55825342 QUJPATAXLPBXBC-UHFFFAOYSA-N 345.468 3.287 30 40 EGEB Cc1ccccc1-c1n[nH]c(SCC(=O)Nc2ccccc2C#N)n1 20195622 FAZCQMOJDFEBMU-UHFFFAOYSA-N 349.419 3.383 30 40 EGEB C=C1[C@H](O)[C@@]23CC[C@@H]1C[C@@H]2[C@]12CCC[C@@](C)(CN(CCO)C1)[C@H]2CC3 100150487 KNYGXNFGZONVKK-UKUMXFBISA-N 345.527 3.214 30 40 EGEB C[C@@H]1CCCC[C@@H]1N1CNC(=Nc2nc3ccccc3s2)NC1 9011902 FDWGGRWUHUOODU-OCCSQVGLSA-N 329.473 3.272 30 40 EGEB COC(=O)[C@H](N[C@H](C)c1c(F)cccc1OC)c1cccc(C#N)c1 83032076 ZKMDLCGBCGKOFH-KZULUSFZSA-N 342.370 3.271 30 40 EGEB C[C@@H](Sc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(C#N)cc1 5018871 UHQPEMZGICBZHO-GFCCVEGCSA-N 340.404 3.449 30 40 EGEB CC/C(=N\Nc1ccc(C(=O)O)cc1)c1ccc2c(c1)CC(=O)N2C 96291538 SRZHSISZUMQHPM-LTGZKZEYSA-N 337.379 3.130 30 40 EGEB N#Cc1cccc(OCCn2nc(C3CC3)cc(C(F)(F)F)c2=O)c1 71817224 LGOJOPDIORBVSV-UHFFFAOYSA-N 349.312 3.090 30 40 EGEB N#CCc1cccc(C(=O)N(Cc2ccncc2)Cc2cccnc2)c1 72281812 LZCUSGNGRQSOKN-UHFFFAOYSA-N 342.402 3.385 30 40 EGEB Cc1cc(C)c2ncc(C#N)c(N3CC[C@](O)(C(F)(F)F)C3)c2c1 75053993 ZKTKCBHNOANTKP-MRXNPFEDSA-N 335.329 3.227 30 40 EGEB O=C(NCC#Cc1ccccc1)N1CC[C@@](F)(c2ccccc2F)C1 554938682 UWKGEZIQRKMPRA-FQEVSTJZSA-N 340.373 3.458 30 40 EGEB COc1ccc(C(=O)Oc2c(Cl)cc(/C=N\O)cc2OC)cc1 216782578 CZRAYZQRGWWPJZ-NVMNQCDNSA-N 335.743 3.385 30 40 EGEB Cc1ccc(NS(=O)(=O)c2ccc(CC#N)cc2)c2cccnc12 225465504 PWXGAYWJZYXLCQ-UHFFFAOYSA-N 337.404 3.410 30 40 EGEB N#Cc1cc2c(nc1N1CCC(CCCn3ccnc3)CC1)CCC2 611932126 SNBSZWMCIXMWEJ-UHFFFAOYSA-N 335.455 3.335 30 40 EGEB C=CCc1cc(CN2CCC(n3ccnc3)CC2)cc(OC)c1O 92648554 LQRKHMUEQRNUPJ-UHFFFAOYSA-N 327.428 3.163 30 40 EGEB COc1ccc(Cl)cc1NC(=O)/C=N/OCc1c(C)noc1C 32957789 GLGKUERIMQJZOE-REZTVBANSA-N 337.763 3.095 30 40 EGEB CCOC(=O)c1nc(CN(CC)Cc2ccc(C#N)cc2F)cs1 52824977 LXYNRCNVTNLMCV-UHFFFAOYSA-N 347.415 3.353 30 40 EGEB CN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 102926728 DDIUOUKKDHJDBK-DPEHCCBOSA-N 327.767 3.392 30 40 EGEB COc1ccc(/C=N/c2nnc[nH]2)cc1CSc1ccccn1 503500 HYKDMBILUGVTOP-GIJQJNRQSA-N 325.397 3.251 30 40 EGEB CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(COC)c2)cc1 103504575 RVCWVGOQCHABRJ-GOSISDBHSA-N 336.391 3.357 30 40 EGEB Cc1nc(C)c(S(=O)(=O)/N=C(\O)CCCc2cccs2)s1 78987721 FCKHOFSBQZDBLM-UHFFFAOYSA-N 344.483 3.490 30 40 EGEB C=C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)Nc1cc(C)cc(C)c1 8254590 KLGGQMZIAIBQCI-XYJFISCASA-N 329.513 3.486 30 40 EGEB biogenic,in-vitro N#Cc1cccnc1NCc1ccc(-n2cnc3ccccc32)nc1 57830116 SNUUOHSWVDGQQK-UHFFFAOYSA-N 326.363 3.299 30 40 EGEB CCCc1ccc(S(=O)(=O)/N=C(\O)CC[C@@H]2CCCO2)cc1 48563350 NXGQRMIIMDOUHX-AWEZNQCLSA-N 325.430 3.244 30 40 EGEB CC1=CC(=O)[C@H](C(=O)/C=C/c2c(Cl)cccc2Cl)C(=O)O1 3543735 LLFYPUWVVHUJBB-GJBLVYBDSA-N 325.147 3.222 30 40 EGEB C#CCn1cc(/C=N/NCc2ccc(OC)c(OC)c2)c2ccccc21 20196030 YVRHJPZYMIOKQV-OEAKJJBVSA-N 347.418 3.415 30 40 EGEB N#Cc1nc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)[nH]c1C#N 69376615 XPSOZNIEWCPYKL-RKDXNWHRSA-N 346.177 3.202 30 40 EGEB COCCSc1ccc([C@@H](C)NC(=O)c2ccc(C#N)cn2)cc1 69415400 IGIRBBFJSCZONO-CYBMUJFWSA-N 341.436 3.183 30 40 EGEB CC1CCN(C(=O)[C@@H]2CCCN(c3ncc(C#N)cc3Cl)C2)CC1 69513100 RGRZIUHADRYGFM-OAHLLOKOSA-N 346.862 3.082 30 40 EGEB N#C[C@@]1(NC(=O)c2cccc(Br)c2Cl)CCSC1 97054894 JZBODJDSDWIQRS-LBPRGKRZSA-N 345.649 3.232 30 40 EGEB CC(=O)Oc1ccc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)cc1 409036575 RTTRRTKNJJMXQM-CGOBSMCZSA-N 346.202 3.326 30 40 EGEB CCOC1CC2(CCN(C/C(O)=N/[C@H]3CCOc4ccccc43)C2)C1 329194093 SRPQLCMHSGGHIZ-CMVHYPBASA-N 344.455 3.358 30 40 EGEB C=CCNC(=S)Nc1nc(Cl)cc(N2C[C@@H](C)C[C@@H](C)C2)n1 225926410 LFBGLJQYTUKHGT-PHIMTYICSA-N 339.896 3.085 30 40 EGEB Cc1ccc([C@H](C)OC(=O)c2ccc(C#N)c(C)n2)cc1[N+](=O)[O-] 96460963 DYAGRRJEVNXKNH-LBPRGKRZSA-N 325.324 3.396 30 40 EGEB CC(C)(C#N)C(=O)NCc1ccc(OC(F)F)cc1OC(F)F 96466947 QTIWGCXTRWUTAI-UHFFFAOYSA-N 334.269 3.055 30 40 EGEB CCCCCCCCNC(=O)c1c(-n2cnnn2)sc(C)c1C 604419373 ZHKPPYWVYUMPTC-UHFFFAOYSA-N 335.477 3.431 30 40 EGEB C[C@@H](NC(=O)CNc1ccc(C#N)cc1)c1cccc(-n2cccn2)c1 74036719 OZFIPWQKUOQVQU-OAHLLOKOSA-N 345.406 3.033 30 40 EGEB CC(C)n1ncc2c(C(=O)N[C@H](C)C#N)cc(-c3cccs3)nc21 89894009 SWNVBKKYFMAOQP-LLVKDONJSA-N 339.424 3.383 30 40 EGEB Cc1ccc(S(=O)(=O)N[C@@]2(C=O)CCC[C@@H]3CCCC[C@@H]32)cc1 5809813 MNWXOSNCJLKFNN-RYQLBKOJSA-N 335.469 3.201 30 40 EGEB CCc1nnc(S)n1/N=C/c1c(C)nn(-c2ccccc2)c1Cl 6497102 LFJTYJCXQQWONM-RQZCQDPDSA-N 346.847 3.159 30 40 EGEB N#Cc1ccnc(O[C@H]2CCCN(C(=O)Nc3cccs3)C2)c1 575613725 SMOJBPGOEINXBD-ZDUSSCGKSA-N 328.397 3.090 30 40 EGEB CC(C)OC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccccc1F 377710 DWMJSBVOVPMWER-OAHLLOKOSA-N 345.370 3.069 30 40 EGEB N#C[C@@H](C(=O)c1ccc2c(c1)NC(=O)CS2)c1nc2ccccc2o1 41548143 VFIXPLGTAAYVNG-NSHDSACASA-N 349.371 3.362 30 40 EGEB N#Cc1ccc(NC(=O)Nc2cccn(Cc3ccccc3)c2=O)cc1 1354035 NAWYXTGXCOHWSI-UHFFFAOYSA-N 344.374 3.412 30 40 EGEB CSc1nc(O)c(C(=O)N2CCC[C@H]2c2cccs2)cc1C#N 27610062 JOLWQYNWPJWDKF-LBPRGKRZSA-N 345.449 3.420 30 40 EGEB Cc1cnc2c(S(=O)(=O)/N=C(\O)CC[C@@H]3CCCO3)cccc2c1 48566037 FANLZXBBJBPLJN-AWEZNQCLSA-N 348.424 3.148 30 40 EGEB CC[C@@](C)(NCC(=O)NC1(C#N)CCCCC1)c1nc(C)cs1 72864809 XTZWREROHJFJQM-MRXNPFEDSA-N 334.489 3.009 30 40 EGEB N#CCc1nc(CSc2nc3cc([N+](=O)[O-])ccc3[nH]2)cs1 4135738 DJOBTEQBEZNHOX-UHFFFAOYSA-N 331.382 3.286 30 40 EGEB C[C@@H](CCc1ccccc1)NC(=O)CCC(=O)Nc1ccc(C#N)cc1 4591800 SOFBYXOQYVYHRL-INIZCTEOSA-N 349.434 3.414 30 40 EGEB CCS(=O)(=O)N(Cc1ccccc1C#N)c1ccc(C(C)=O)cc1 69323195 KEMQJFMALXBSQX-UHFFFAOYSA-N 342.420 3.117 30 40 EGEB N#Cc1cc(N2CCC[C@H](CCC(N)=O)C2)ccc1C(F)(F)F 97144768 ODJSSULMYKGVPJ-LLVKDONJSA-N 325.334 3.059 30 40 EGEB Cc1cc(S(=O)(=O)/N=C(O)/C=C/c2cncc(F)c2)c(C)s1 95443221 DPNOMYVZICVIIH-ONEGZZNKSA-N 340.401 3.258 30 40 EGEB COc1ccc([N+](=O)[O-])cc1/C=N/c1ccc(N2CCOCC2)cc1 217916 KHURWMXQMYHUDB-CPNJWEJPSA-N 341.367 3.191 30 40 EGEB N#Cc1ccccc1N1C(=O)c2ccc(Br)cc2C1=O 850580 MZTDEPCXEVMGAM-UHFFFAOYSA-N 327.137 3.121 30 40 EGEB C/C(=N\NC(=S)NC12CC3CC(CC(C3)C1)C2)c1ccccn1 5574374 ZYVLAEATQIUMQN-CIAFOILYSA-N 328.485 3.239 30 40 EGEB COc1ccccc1NC(=S)N/N=C1\C(O)=Nc2c(C)cccc21 4465948 PLWPILCGGGPYQY-UHFFFAOYSA-N 340.408 3.296 30 40 EGEB C[C@H]1CCc2c(sc(NC(=O)CSc3ncccn3)c2C#N)C1 77241 WLAOQTKHMAJDDK-JTQLQIEISA-N 344.465 3.265 30 40 EGEB N#Cc1ccc(COc2ccc(I)nc2)cc1 79110474 GHTMEXJYXKNIMU-UHFFFAOYSA-N 336.132 3.137 30 40 EGEB C=CCN1C(=O)c2ccccc2N[C@@H]1c1cc2ccccc2[nH]c1=O 28511186 PMCLKAQUZYTALQ-SFHVURJKSA-N 331.375 3.281 30 40 EGEB CC(C)Nc1nnc(S[C@H](C)C(=O)Nc2ccccc2C#N)s1 3383456 YEGWMJFUNNQVHB-SNVBAGLBSA-N 347.469 3.349 30 40 EGEB COc1ccc(OC)c(NC(=O)Cn2ccc3ccc(C#N)cc32)c1 4661139 CJCYFDIZQRMGQF-UHFFFAOYSA-N 335.363 3.169 30 40 EGEB C[C@H](C#N)Sc1ccc(S(=O)(=O)N(C)C2CCCCC2)cn1 7225131 AUIBMQYFHIMZTB-GFCCVEGCSA-N 339.486 3.039 30 40 EGEB CCOC(=O)Cc1c(C)nc2c(C#N)c(-c3ccc(C)cc3)nn2c1C 408920882 LJLAKYXZPFUAKO-UHFFFAOYSA-N 348.406 3.299 30 40 EGEB C[C@H](C#N)Sc1nnc(CN2CCCCC2)n1Cc1ccccc1 8754340 MXEIKVBILDNPTM-OAHLLOKOSA-N 341.484 3.316 30 40 EGEB CS(=O)(=O)/N=C(\O)[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1 78657712 XMBZOPKHMSNWPZ-AWEZNQCLSA-N 341.335 3.001 30 40 EGEB C#CCOc1c(I)cc(C(C)(C)C)cc1C=O 225276797 OFMKKYOWDMXUDQ-UHFFFAOYSA-N 342.176 3.413 30 40 EGEB Cc1cc(/C(O)=N/[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cnn1 329857054 YUEJAMIHGZZWKY-HZPDHXFCSA-N 348.809 3.328 30 40 EGEB CCOC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1 16957402 UUMNFCINEMNNGB-VBKFSLOCSA-N 325.320 3.424 30 40 EGEB COc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@@H]2c2ccc(F)cc2)cc1 5686963 JDHJHRQXHXPOEL-MRXNPFEDSA-N 341.338 3.042 30 40 EGEB CNc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] 20837188 OZNYLDPBYZESFC-ZZXKWVIFSA-N 326.308 3.261 30 40 EGEB COc1ccc([C@@H]2[C@H](C(C)C)C(=O)CC(C#N)(C#N)C2(C#N)C#N)cc1 506978 ROFNYPZDFRHARM-QZTJIDSGSA-N 346.390 3.091 30 40 EGEB O=C(C[n+]1ccnc2ccccc21)c1ccc(Br)cc1 1664830 VPQKJZXTWFTPGM-UHFFFAOYSA-N 328.189 3.168 30 40 EGEB C[C@H]1CCCN(C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@@]45O[C@H]5[C@H]23)C1 4028552 CSUXALKSMYDBAB-QZSBMYPVSA-N 347.499 3.244 30 40 EGEB biogenic C=CCOC(=O)C1=C(C)Nc2sc(C#N)c(N)c2[C@H]1c1ccco1 6551905 PWFVWAUQDPSDQD-ZDUSSCGKSA-N 341.392 3.356 30 40 EGEB [N-]=[N+]=Nc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cn1 108512426 OKPLIVRDLQXCIX-UHFFFAOYSA-N 336.399 3.418 30 40 EGEB N#Cc1ccc(OCC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1 12628893 KLQRAYFJGCXSBN-GOSISDBHSA-N 346.390 3.177 30 40 EGEB COc1cccc([C@H]2CC(=O)OC3=C2C(=O)c2ccccc2C3=O)c1 100207500 BIZQXCNLWNHYRB-OAHLLOKOSA-N 334.327 3.059 30 40 EGEB Cc1nnc(S)n1/N=C/C1=Cc2cc(Cl)cc(Cl)c2OC1 36843801 YGCMAZSUUKCTGJ-FZSIALSZSA-N 341.223 3.492 30 40 EGEB CNC(=O)c1cccc(CNc2ccc(Br)cc2C#N)c1 96008406 GIAADCJWWKAVHE-UHFFFAOYSA-N 344.212 3.292 30 40 EGEB CCn1c(C)c(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c2ccccc21 409226186 SRODNOLNZOLWNW-OTIOQCEHSA-N 347.418 3.111 30 40 EGEB C=CCOc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cn1 225931470 VEWUXXSCKYCWKA-UHFFFAOYSA-N 338.407 3.333 30 40 EGEB N#Cc1ccc(OC2CCN(C(=O)CCCc3ccccc3)CC2)nc1 85471744 ONFJNQIYLLKFBF-UHFFFAOYSA-N 349.434 3.346 30 40 EGEB COc1ccc(OC)c(C=Nn2c(S)nnc2-c2ccccc2)c1 252429421 MSNVQUHPKANXMH-UHFFFAOYSA-N 340.408 3.133 30 40 EGEB C=CCOc1ccccc1C(=O)N[C@@H](C)c1nc(C(C)(C)C)no1 72303572 UHWZELOQXCOORY-LBPRGKRZSA-N 329.400 3.423 30 40 EGEB CCOC(=O)[C@H](C#N)[C@@H](Cc1ccccc1)c1ccc2c(c1)OCO2 169027 SHOOUTRHZYZRBO-DLBZAZTESA-N 337.375 3.444 30 40 EGEB CCN(CC)c1ccc(/N=C/c2ccc(OCC(N)=O)cc2)cc1 361115 ZFHVCWJKSNRJPT-FYJGNVAPSA-N 325.412 3.148 30 40 EGEB COc1cc(C(=O)/C=C/c2ccc(C)s2)ccc1S(C)(=O)=O 57789909 YKIOATKBPABYBV-BQYQJAHWSA-N 336.434 3.365 30 40 EGEB Cn1/c(=N/C(=O)c2ccc(C#N)cc2)sc2cc(F)cc(F)c21 100909253 ROZYZHYZFNZZBN-SILNSSARSA-N 329.331 3.131 30 40 EGEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCC[C@@H]4COC)[C@H]3C[C@H]12 4088699 LYZJRMREVMQKQK-WGVHSKNFSA-N 347.499 3.411 30 40 EGEB biogenic C=CCSc1ccccc1NC(=O)CSc1nnnn1C(C)C 14188359 CHUJQVQNMMWJRQ-UHFFFAOYSA-N 349.485 3.263 30 40 EGEB Cc1ccccc1-c1cc(NC(=O)Nc2ccn(CCC#N)n2)n(C)n1 191667428 MTAOSZGAEDKSIA-UHFFFAOYSA-N 349.398 3.150 30 40 EGEB COc1coc(C(O)=Nc2cc(-c3cc(C)ccc3F)[nH]n2)cc1=O 330032053 HNMOCFIMZURGSC-UHFFFAOYSA-N 343.314 3.122 30 40 EGEB C=CCN1CC[C@H](N(C)C(=O)Nc2ccc(C3CCC3)cc2)C1=O 281887359 GXCKFABMMMAULM-KRWDZBQOSA-N 327.428 3.205 30 40 EGEB O=C1/C(=N\Nc2ccccc2)C(C(F)(F)F)=NN1c1ccccc1 16488188 BZRVQNAJGDZXAM-BKUYFWCQSA-N 332.285 3.420 30 40 EGEB CN(Cc1nc2ccccc2s1)C(=O)NCC#Cc1ccccc1 40071272 YIQVUMDINCCARL-UHFFFAOYSA-N 335.432 3.489 30 40 EGEB CCOc1ccc(/N=C/c2ccc(OCC(N)=O)c(OCC)c2)cc1 361358 RPZOXBGQYAKBDF-CIAFOILYSA-N 342.395 3.099 30 40 EGEB Cc1ccc(OCC(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)cc1 103504473 AKAGUHIVPNORFG-AWEZNQCLSA-N 342.782 3.375 30 40 EGEB COc1ccc(-c2nnc(S)n2/N=C\c2cccc(F)c2)cc1 4679494 PSHWKEUYQAGHGE-ZDLGFXPLSA-N 328.372 3.264 30 40 EGEB CCCCS(=O)(=O)/N=C(\O)[C@H](C)Sc1ccc(OC)cc1 48556249 ZMCDYBLBZJVFIN-NSHDSACASA-N 331.459 3.262 30 40 EGEB Cc1cc([C@H](C#N)C(=O)c2cc(C3CC3)n(C(C)(C)C)n2)nc(C)n1 49408097 DSDXBELJRSITPJ-AWEZNQCLSA-N 337.427 3.412 30 40 EGEB CCN(C(C)=O)c1nc(/C=C2/CCc3cc(O)ccc3C2=O)cs1 96401022 HWWSEIQOSQMXEK-JYRVWZFOSA-N 342.420 3.434 30 40 EGEB N#Cc1ccc(CS(=O)(=O)Cc2cc(Cl)c3c(c2)OCO3)cc1 69417454 ILIDLOQNYGBUTJ-UHFFFAOYSA-N 349.795 3.055 30 40 EGEB C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cnc[nH]1 69529604 NJKNNTPXASETLL-UHFFFAOYSA-N 338.180 3.140 30 40 EGEB CCNc1ccc(Br)cc1NC(=O)c1cc(C#N)c[nH]1 95995430 YUSJUAYSHAWJMT-UHFFFAOYSA-N 333.189 3.333 30 40 EGEB O=C1/C(=N/O)c2ccccc2N1CCOc1ccc2ccccc2c1 39853893 UGYUQYOFTWSDNX-XUTLUUPISA-N 332.359 3.444 30 40 EGEB COc1c(/C=C/C(=O)c2ccccc2F)cc2c(c1OC)OCO2 35324222 LIHSZWJRZBTFEK-BQYQJAHWSA-N 330.311 3.468 30 40 EGEB C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(Cl)cc2F)c1 47194536 HCTNUSWSAOGVDC-UHFFFAOYSA-N 344.773 3.171 30 40 EGEB COc1cc(C#N)ccc1OCCN1CCC[C@@H]1c1cccn1C 96419552 IJKMPHNQLHXNLG-QGZVFWFLSA-N 325.412 3.121 30 40 EGEB N#C[C@H]1CCCC[C@H]1Nc1ncc([N+](=O)[O-])cc1Br 585098801 CGGLWYNNHPSUGC-LDYMZIIASA-N 325.166 3.247 30 40 EGEB N#Cc1cccnc1N1CCN(Cc2cccc3ccccc23)CC1 23805612 MZBJAUZSLQTPLN-UHFFFAOYSA-N 328.419 3.429 30 40 EGEB N#Cc1c(-c2ccco2)nc(SCc2ccccc2F)[nH]c1=O 21660134 SEHIFWDEHGEKPD-UHFFFAOYSA-N 327.340 3.333 30 40 EGEB Cc1nc(C2CC2)nc2sc(C(=O)NC3(C#N)CCCC3)c(N)c12 32932314 GNPDRCJNXZYNKF-UHFFFAOYSA-N 341.440 3.026 30 40 EGEB Cn1cc(S(=O)(=O)/N=C(\O)[C@H]2CC2(Cl)Cl)c2ccccc21 95446121 YWLHYTUXPPSUBK-SECBINFHSA-N 347.223 3.017 30 40 EGEB C=CCN(Cc1ccccc1)C(=O)CNC(=O)c1ccccc1Cl 58331728 MYFBKWVCDUSZTN-UHFFFAOYSA-N 342.826 3.285 30 40 EGEB CCN(CC#C[C@@](O)(c1ccccc1)C1(CC)CCCC1)CCO 2286966 OGQPMELVOBPBML-OAQYLSRUSA-N 329.484 3.162 30 40 EGEB Cc1c(C#N)c(NC(=O)CN2CCCCC2)n(Cc2ccco2)c1C 7424340 OPHDYYULADGSSD-UHFFFAOYSA-N 340.427 3.042 30 40 EGEB Cc1cc(C(=O)OCC(=O)Nc2sccc2C#N)c(C)n1C1CC1 7575482 ZAXGNVSKZAFMLK-UHFFFAOYSA-N 343.408 3.169 30 40 EGEB N#Cc1cccc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccncc2)c1 8457493 FECWQNQUXMLORR-IBGZPJMESA-N 349.415 3.021 30 40 EGEB COc1cccc([C@H](C#N)NC(=O)c2cc(C)ccc2F)c1OC 69845236 FJHWRDQHNQBOHA-HNNXBMFYSA-N 328.343 3.146 30 40 EGEB COc1cc(C)c(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1OC 408587878 ALASVSOMZQSILE-VCHYOVAHSA-N 330.340 3.471 30 40 EGEB COc1ccsc1S(=O)(=O)N(CCC#N)c1cccc(C)c1 89672691 SLRXXHBPACNHEH-UHFFFAOYSA-N 336.438 3.174 30 40 EGEB CN(C(=O)c1cnccc1C#N)[C@H]1C[C@H](Oc2ccccc2)C1(C)C 580387476 NPILMZPVPBTHJX-ROUUACIJSA-N 335.407 3.271 30 40 EGEB CC/N=C1/S[C@@H](C(=O)Nc2ccc(Cl)cc2)CC(=O)N1CC 100107247 OCRFLCKUTVWREO-OPGVCCBYSA-N 339.848 3.008 30 40 EGEB C=CCN(CC=C)C[C@@](C)(O)CNc1cc(OC)cc2cccnc12 1656143 QNPVIFHDOPEWTR-FQEVSTJZSA-N 341.455 3.080 30 40 EGEB CC(=O)Oc1ccc2c(c1)[C@@H]1c3ccccc3[C@@H]2[C@H]2C(=O)C=CC(=O)[C@H]12 100520805 JSOZWJZOWBXDAX-FNAHDJPLSA-N 344.366 3.143 30 40 EGEB Cn1ccnc1COc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1 44012987 HKTFQDDXSKUTTA-UHFFFAOYSA-N 344.370 3.462 30 40 EGEB CCCCCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccccc1[N+](=O)[O-] 2060967 XZGPEEJTXHVZCV-MRXNPFEDSA-N 346.383 3.460 30 40 EGEB C=C(C)CN1CCN([C@H](C(=O)O)c2c[nH]c3ccc(Cl)cc23)CC1 20722703 MQELSRLRYAERLT-KRWDZBQOSA-N 347.846 3.141 30 40 EGEB N#Cc1cc(C#N)c(SCc2cn3cc(Cl)ccc3n2)nc1N 60583035 DZRURHABVDNIPB-UHFFFAOYSA-N 340.799 3.001 30 40 EGEB N#C[C@@H](C(=O)/C=C/c1ccc(N2CCCC2=O)cc1)c1ccccn1 49456764 JLOLEJIZHVXXHI-VGMNTSGFSA-N 331.375 3.098 30 40 EGEB COC(=O)c1c(/N=C/c2cccc(C)c2O)sc2c1CCN(C)C2 4859738 CIEYJKJMSHVCQZ-DJKKODMXSA-N 344.436 3.287 30 40 EGEB C[C@H](NC(=O)N[C@H](C)C[C@H](O)c1ccco1)c1cccc(C#N)c1 89895052 KSMFDXYKMMYYLQ-WWGRRREGSA-N 327.384 3.024 30 40 EGEB N#Cc1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 7053716 WHZRACKHKCMQFE-UHFFFAOYSA-N 326.299 3.378 30 40 EGEB N#Cc1cnc(Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)c(Cl)c1 71908217 ICYPFTDNHKPMFJ-HNNXBMFYSA-N 342.786 3.468 30 40 EGEB Cc1nscc1C(=O)NC1CCC(Oc2ccccc2C#N)CC1 97080423 UQEYASPSHHGIOF-UHFFFAOYSA-N 341.436 3.443 30 40 EGEB CCOc1cccc2cc([C@@H](C)N/C(=N/C)NCc3ccon3)oc12 95410743 KBJGMFWVSDXTEK-GFCCVEGCSA-N 342.399 3.246 30 40 EGEB O=C(O)c1cccc(N/N=C/c2cc(Br)ccc2O)c1 4921556 VCIJRXOBKDDVBZ-LZYBPNLTSA-N 335.157 3.299 30 40 EGEB N#Cc1cccc(C(=O)N(Cc2cccs2)C[C@@H]2CCCO2)c1 40473059 PPSABWLUVMAZTN-INIZCTEOSA-N 326.421 3.441 30 40 EGEB C[C@H](NC(=O)OC(C)(C)C)C(=O)[C@H](C#N)c1nc2ccccc2s1 41499505 WDIQVNSQUJYUAZ-QWRGUYRKSA-N 345.424 3.386 30 40 EGEB Cc1cc([C@@H](C#N)C(=O)Cc2ccc(-n3cccc3)cc2)nc(C)n1 41560055 DYNVWMDZFRFNEG-GOSISDBHSA-N 330.391 3.303 30 40 EGEB COc1cc(OC)cc(C(=O)Nc2sc3c(c2C#N)CCC3)c1 803472 UHUVYCAOCQRXOO-UHFFFAOYSA-N 328.393 3.378 30 40 EGEB O=C1/C(=C\NCc2ccccc2)[C@@](O)(C(F)(F)F)Oc2ccccc21 9059652 IBGVCTQRJMPTJJ-WKOYGUFESA-N 349.308 3.186 30 40 EGEB CCN(CC#C[C@](O)(c1ccccc1)C1(CC)CCCC1)CCO 2286967 OGQPMELVOBPBML-NRFANRHFSA-N 329.484 3.162 30 40 EGEB O/C(=N\c1nnc(SCc2ccccc2)s1)C1=COCCO1 12999724 DAZRMRKEWHZAIB-UHFFFAOYSA-N 335.410 3.307 30 40 EGEB Cc1cc(N2CCCC2)nc(N2CCN(c3ccccc3)CC2)c1C#N 71282649 LPWOJGGCZNPCAZ-UHFFFAOYSA-N 347.466 3.189 30 40 EGEB CC[C@H](C)n1nccc1NC(=O)[C@@H](C)Sc1cc(C#N)ccn1 95401153 JKDIKALNVIENRU-NWDGAFQWSA-N 329.429 3.240 30 40 EGEB CCc1sc(C(=O)OCC(=O)[C@H](C#N)c2nc(C)cs2)cc1C 7837061 DIKBINNYHMZEFP-NSHDSACASA-N 348.449 3.417 30 40 EGEB Cc1ccc(N(CCC#N)C(=O)Cc2ccc(OCC#N)cc2)cc1 72277453 CGNLPLUEYVRXMU-UHFFFAOYSA-N 333.391 3.387 30 40 EGEB CC1(C)CC(NC(=O)C(C)(C)c2cccc(C#N)c2)CC(C)(C)N1 89917921 SJVANOWSIVATOP-UHFFFAOYSA-N 327.472 3.261 30 40 EGEB C[C@]12CN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@]3(C#N)C[C@H]1CC[C@]23C 35986562 KDABRWTZSUITBK-RNJTYBCJSA-N 325.368 3.139 30 40 EGEB Cc1ccc(S(=O)(=O)O[C@@H]2CCCN(Cc3ccccc3)C2)cc1 79436758 GGIFZIIHVRIOJJ-GOSISDBHSA-N 345.464 3.365 30 40 EGEB N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(F)cc3)CC2)nc1 90607645 RALMKUKBNFJODR-UHFFFAOYSA-N 340.358 3.168 30 40 EGEB CN(C(=O)[C@@H]1COc2ccccc2C1)c1cc(C#N)c2ccccc2n1 75141144 FCRVNMZVFOGHRB-INIZCTEOSA-N 343.386 3.321 30 40 EGEB COc1cc(C#N)cc(Cl)c1OCc1nnc([C@H]2CCCOC2)o1 591598345 QKEGZFUYKNPFEY-NSHDSACASA-N 349.774 3.076 30 40 EGEB C=CCn1/c(=N/C(=O)c2ccc([N+](=O)[O-])o2)sc2cc(F)ccc21 100874420 LECHNRUKKKFNSL-ICFOKQHNSA-N 347.327 3.270 30 40 EGEB OC1=NCCCC[C@H]1/N=C(\O)c1cc(Cl)c2c(c1)OCCCO2 40521756 UQYBSDALLPBHFB-GFCCVEGCSA-N 338.791 3.315 30 40 EGEB Cc1nc(-c2ccccc2)ccc1C(=O)[C@H](C#N)C(=O)NC1CCCC1 102051180 KUZDAWXUUGXOKQ-SFHVURJKSA-N 347.418 3.438 30 40 EGEB CN(CC(=O)N1CCC[C@H]1c1ccsc1)Cc1ccc(C#N)cc1 52580861 BERLSTWYBWRGPW-SFHVURJKSA-N 339.464 3.415 30 40 EGEB COC(=O)[C@@]12CC(C)(C)C[C@](C)(CC3=C1C(=O)/C(=N/N)C(C)(C)C3)C2 103750349 FEZZIAMQVRGBHX-MRQPSRSCSA-N 346.471 3.376 30 40 EGEB CC[C@H](C(=O)N1CCCN(c2ncccc2C#N)CC1)c1ccccc1 55740173 JSNAPLPFSKAIKF-IBGZPJMESA-N 348.450 3.186 30 40 EGEB CC(=O)/C(C/C(=N/Nc1ccccc1)C(C)=O)=N\Nc1ccccc1 96319117 GNDQYXBUCGKDEI-RSFSRFMPSA-N 336.395 3.491 30 40 EGEB COc1ccccc1CNC(=O)c1c(C)oc(-n2cccc2)c1C#N 7667556 KOOPDELRAWEFMN-UHFFFAOYSA-N 335.363 3.189 30 40 EGEB O=C1/C(=C\c2ccc(O)c([N+](=O)[O-])c2)CCOc2ccc(F)cc21 96988703 NVAQTDTZSCAJRH-XFFZJAGNSA-N 329.283 3.488 30 40 EGEB Cc1ccccc1/N=C1\NC(=O)[C@H](Cc2cccc([N+](=O)[O-])c2)S1 5533736 BYNQZNQSIHQZNK-HNNXBMFYSA-N 341.392 3.365 30 40 EGEB O=C[C@@H]1[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 217924456 WSYOKIMEHMNARE-OAGGEKHMSA-N 338.787 3.234 30 40 EGEB C=CCN(c1ccccc1C)S(=O)(=O)c1ccc(NC(C)=O)cc1 224887799 FUQBLXGAMRWVGN-UHFFFAOYSA-N 344.436 3.335 30 40 EGEB CC(C)(C)N(C(=O)O)[C@H](C=O)Cc1ccc(Br)cc1 228953763 DRBGTAMJBDAYOS-LBPRGKRZSA-N 328.206 3.338 30 40 EGEB Cc1ccc(Br)cc1S(=O)(=O)/N=C(\O)C1CC=CC1 96420350 PUWNZOGVAUHYJX-UHFFFAOYSA-N 344.230 3.369 30 40 EGEB Cc1ccc([C@@H](C)OC(=O)c2ccc(C#N)c(C)n2)cc1[N+](=O)[O-] 96460960 DYAGRRJEVNXKNH-GFCCVEGCSA-N 325.324 3.396 30 40 EGEB CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)[C@H](O)C[C@@H]4[C@H]3CC[C@@]12C 257345801 JKBAFSADZLHGPF-LDEAWATRSA-N 332.440 3.031 30 40 EGEB C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@@H](c2ccc(OC)cc2)C1 281912384 YFQDIOSPNKRXGK-LMMKCTJWSA-N 344.455 3.175 30 40 EGEB N#Cc1ccc(N2CC[C@H](OC(=O)CC(C3CC3)C3CC3)C2=O)cc1 84383884 DFIDHBDIJYPEEG-SFHVURJKSA-N 338.407 3.033 30 40 EGEB C/C(=C1\C(=O)C[C@H]2[C@H]1C2(C)C)N1CCN(c2ccc(F)cc2)CC1 536742 FHRJLIBVKIONQH-VUEJJUHGSA-N 328.431 3.467 30 40 EGEB C#CCn1c([C@H]2CC(=O)N(c3ccccc3OC)C2)nc2ccccc21 12627871 PKFYENPOHQBLRS-HNNXBMFYSA-N 345.402 3.199 30 40 EGEB N#Cc1cc(N/N=C/c2ccc(Cl)cc2)c([N+](=O)[O-])cc1C#N 6221177 MSFHMTWMTMTULG-DJKKODMXSA-N 325.715 3.438 30 40 EGEB Cc1c(/N=C/c2ccc(O[C@H](C)C(=O)O)cc2)cccc1C(=O)O 59302891 HHHSHEIUNOOBLE-AINDZBIGSA-N 327.336 3.296 30 40 EGEB O=[N+]([O-])c1ccc(O)c(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c1 409038364 ONMNXGYESJGPTC-JJPRUIFNSA-N 349.162 3.014 30 40 EGEB Cc1cc(OS(C)(=O)=O)cc2c1C(=O)/C(=C/c1ccccc1F)O2 6755254 BQZORGHTPYDBRW-NVNXTCNLSA-N 348.351 3.089 30 40 EGEB COc1ccc(/C=C/C(=O)c2ccc(NS(C)(=O)=O)cc2)cc1F 71892669 SCPDEPLRDCYVRP-YCRREMRBSA-N 349.383 3.102 30 40 EGEB Cc1c(C#N)c(N)nc(SCC(=O)c2ccc(Cl)cc2)c1C#N 18122775 FGTYAFKIXRTJNG-UHFFFAOYSA-N 342.811 3.344 30 40 EGEB Cc1cccc(N2C(=O)NC(=O)[C@H](C=Nc3ccc(C)c(C)c3)C2=O)c1 408537492 VRXXROFESXCQMZ-KRWDZBQOSA-N 349.390 3.213 30 40 EGEB COc1cc(F)c([C@H](C)NC(=O)c2cccc(C#N)c2)cc1OC 74611201 FANDHKDUZBPXKD-NSHDSACASA-N 328.343 3.206 30 40 EGEB C=CCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(F)c1 225105438 PXYZNFJBNDSXOQ-UHFFFAOYSA-N 339.363 3.355 30 40 EGEB CCC[C@H](C)CS(=O)(=O)/N=C(\O)[C@H]1C[C@@H]1c1cccc(C#N)c1 83147708 WRBXPTBBEKGPQJ-MAZHCROVSA-N 334.441 3.384 30 40 EGEB C[C@H]1CS/C(=C(\C(=O)O)C(=O)/C=C/c2ccc(N(C)C)cc2)S1 5394084 NCBHWBQVDZKAJJ-MQVNUFJOSA-N 349.477 3.500 30 40 EGEB N#C/C(=N\Nc1ccc(Br)cc1)C(=N)N1CCCCC1 67833 ZNPZRQKQRKOUDH-QFVQXBGYSA-N 334.221 3.204 30 40 EGEB C#CCOc1ccc(C[C@@H]2SC(=O)N(C(C)C)C2=O)cc1Cl 6327518 SQGDYUMOOVILSP-AWEZNQCLSA-N 337.828 3.367 30 40 EGEB COc1ncccc1C(=O)N1CCCC[C@@H]1[C@H](C#N)c1ccccc1 76042152 AGYYEDGFBMHWCW-QZTJIDSGSA-N 335.407 3.392 30 40 EGEB Cc1cccc(-n2cc(C(=O)c3cc(C)ccc3O)cc(C#N)c2=O)c1 3250989 KKOUSUKJGIBXND-UHFFFAOYSA-N 344.370 3.263 30 40 EGEB Cc1ccccc1[C@H]1CCCN1c1ncnc2c1cnn2CCC#N 65519856 UUHIFWZAPBGOLO-QGZVFWFLSA-N 332.411 3.390 30 40 EGEB C=CCCC(=O)N[C@@H](CC)c1ccccc1OCC(=O)N1CCCC1 65606225 KJERAAXFAQTYJN-KRWDZBQOSA-N 344.455 3.221 30 40 EGEB C=CCOc1ccc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)cc1 409085959 XRYBILXJDVLRCR-LGMDPLHJSA-N 326.396 3.477 30 40 EGEB CC(=O)N(CCC(=O)N[C@H](C#N)c1ccccc1C)Cc1ccccc1 66405486 SQUDHXHQCWJLCV-HXUWFJFHSA-N 349.434 3.115 30 40 EGEB CC(C)c1ccc([C@@]2(C)NC(=O)N(C[C@H](C#N)CCC#N)C2=O)cc1 7206918 JWSFONPXYFRKPC-IFXJQAMLSA-N 338.411 3.021 30 40 EGEB CCN1C=C(C(=O)c2ccccc2)S(=O)(=O)c2cc(F)ccc21 67340756 PYBJZWBNEYTATI-UHFFFAOYSA-N 331.368 3.164 30 40 EGEB Cc1ccc(CC(=O)N[C@@H](C#N)c2cnn(-c3ccccc3)c2)cc1 89632181 DKSWOTXLVOJAER-IBGZPJMESA-N 330.391 3.104 30 40 EGEB COc1cccc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c1O 409030668 FBGMXKJMJDKBTB-PTXOJBNSSA-N 334.191 3.115 30 40 EGEB 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329.484 3.121 30 40 EGEB N#Cc1ccc(OCCNC2(c3ccc(F)cc3)CCOCC2)cc1 71886832 KKQIRISFXDBEJX-UHFFFAOYSA-N 340.398 3.372 30 40 EGEB N#C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F 87303559 CODJNGJHFDJSGV-INIZCTEOSA-N 345.305 3.187 30 40 EGEB C[C@H]1CN(c2oc(/C=C/c3ccc(F)cc3)nc2C#N)C[C@@H](C)O1 20446580 GPFDELKVSAPDOX-CZXYNIEVSA-N 327.359 3.469 30 40 EGEB CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(OC)cc1 103504669 JVDYSTAZGCMTOT-HNNXBMFYSA-N 338.363 3.055 30 40 EGEB C#CCN(CC(=O)Nc1ccc(F)cc1Cl)Cc1cccc(C)n1 78970541 BQFMABMMEJWZKB-UHFFFAOYSA-N 345.805 3.256 30 40 EGEB CN(C)c1cc[n+](CC(=O)N(c2ccccc2)c2ccccc2)cc1 4129517 JNTNYGUMTXUATO-UHFFFAOYSA-N 332.427 3.405 30 40 EGEB N#Cc1cccc(CS(=O)(=O)c2ccccc2Br)c1 84507242 HNJQQYBIFUKUMH-UHFFFAOYSA-N 336.210 3.295 30 40 EGEB CS(=O)(=O)N(Cc1c(F)cccc1Cl)c1cccc(C#N)c1 24831928 UPSKZUXCTODUQM-UHFFFAOYSA-N 338.791 3.317 30 40 EGEB N#Cc1cc([N+](=O)[O-])ccc1Nc1cccc(CN2CCOC2=O)c1 48253735 OLTNSRAMUMTHII-UHFFFAOYSA-N 338.323 3.162 30 40 EGEB CC1=NN(c2ccccc2)C(=O)/C1=N\Nc1cccc(OC(F)F)c1 100844394 AHHAPOWCPJYCSE-QNGOZBTKSA-N 344.321 3.479 30 40 EGEB CC(C)(C#N)CCCNc1cccc(C(=O)N2CCC(CO)CC2)c1 95417983 UYBAVGWDXPFVRC-UHFFFAOYSA-N 343.471 3.273 30 40 EGEB N#Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cc1 9156022 UAOFXOQZQYZNOE-QFBILLFUSA-N 333.391 3.304 30 40 EGEB O=C1CC(c2ccc(Cl)cc2)CC(=O)C1=C1N[C@H]2CCCC[C@H]2N1 9287798 IGNRUTCYCVQHFM-LQDVMPOASA-N 344.842 3.071 30 40 EGEB N#Cc1cccc(OCC(=O)Nc2ccccc2Br)c1 14241625 ZBFAZKIEUYCYHX-UHFFFAOYSA-N 331.169 3.338 30 40 EGEB C=CCN(Cc1cccs1)C(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C 71803214 OFUFIWHNYXSHCO-CABCVRRESA-N 349.500 3.235 30 40 EGEB COc1ccc(C(=O)/C=C/c2ccc3c(c2)CCO3)cc1NC(C)=O 71892675 PYZQFMJLVBMBDC-ZZXKWVIFSA-N 337.375 3.485 30 40 EGEB Cc1cc(C)n(C/C(O)=N/c2nc(-c3ccccc3Cl)n[nH]2)n1 76365875 BRYYQIPDEVGDHF-UHFFFAOYSA-N 330.779 3.227 30 40 EGEB N#Cc1c(COC(=O)c2cc3ccccc3oc2=O)cn2ccccc12 32895940 YHQUNRYAXOADLL-UHFFFAOYSA-N 344.326 3.274 30 40 EGEB CCC(=O)N1CCC[C@H]1[C@H]1CCCN1Cc1ccc(C#N)cc1F 69668696 CBTMBJVRYJFESN-MSOLQXFVSA-N 329.419 3.063 30 40 EGEB COc1ccccc1OCC#CCNC(=O)c1ccccc1Cl 90610359 VCVUDLUPAIKIHC-UHFFFAOYSA-N 329.783 3.161 30 40 EGEB NS(=O)(=O)c1ccc(/N=C/c2ccc(Cl)cc2Cl)cc1 125360 RLSIZVAOKAUXGS-CAOOACKPSA-N 329.208 3.391 30 40 EGEB Cc1[nH]c2ccccc2c1/C=N/N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@@H]2C12CC2 5024039 HFFAZLHMEAXMCV-VOOMCSNVSA-N 345.402 3.007 30 40 EGEB C#CCOc1cccc(CN2CCC(c3n[nH]c4ncccc34)CC2)c1 12143433 QHUZKLXOAXZWTG-UHFFFAOYSA-N 346.434 3.350 30 40 EGEB CCOC(=O)/C(OC(C)=O)=C1\C=C(C(=O)c2ccccc2)CCC1 16951507 PUTYHJQYTJSBHY-FBMGVBCBSA-N 328.364 3.360 30 40 EGEB COc1ccc(/C(C)=N/Nc2c(F)c(F)nc(F)c2F)c(OC)c1 8403214 MHZGNTLYVVIAQL-QPSGOUHRSA-N 343.280 3.491 30 40 EGEB Ic1ccccc1/C=N\Nc1nccs1 31854299 YQDHTOFCVLXUGH-QPEQYQDCSA-N 329.166 3.194 30 40 EGEB Cc1cccc(NC(=O)[C@H](C#N)C(=O)C2=Cc3ccccc3OC2)c1 103504119 JTXSJHKKGUUGOH-QGZVFWFLSA-N 332.359 3.118 30 40 EGEB C[C@H](NC(=O)[C@](F)(NC(F)(F)F)C(F)(F)F)c1ccccc1 25425918 WGNUDVQAHOGFJX-XVKPBYJWSA-N 332.219 3.201 30 40 EGEB COC(=O)c1csc(N/N=C2\CCC\C2=C(\O)C(F)(F)F)n1 101391992 OIEWJVSONNHOHJ-ZJNYJYAASA-N 335.307 3.256 30 40 EGEB Cc1cc(S(=O)(=O)/N=C(\O)CCCc2ccccn2)c(C)s1 95443220 WZHLPWJCWLVDJE-UHFFFAOYSA-N 338.454 3.428 30 40 EGEB N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CCOC3)cc2F)c1 71185010 FXLRKCFDMREIHO-HNNXBMFYSA-N 340.354 3.251 30 40 EGEB COc1ccccc1/C=C(\C(C)=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 5786680 PMDFHWOCBRXABY-LFIBNONCSA-N 340.335 3.215 30 40 EGEB CCOC(=O)c1[nH]c(C)c(C(=O)OCc2ccccc2C#N)c1C 6886600 RTQTUKRJFKDHFU-UHFFFAOYSA-N 326.352 3.037 30 40 EGEB CC(=O)OCC1=Cc2ccccc2N(C(=O)c2ccccc2)[C@@H]1C#N 68741490 QMZRRIRNMMYOAR-LJQANCHMSA-N 332.359 3.186 30 40 EGEB N#CCCCOc1cccnc1NC(=O)Cc1c[nH]c2ccccc12 69811877 XGWVHJANBOSGJI-UHFFFAOYSA-N 334.379 3.427 30 40 EGEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cccc2c1OCO2 97238659 NCKNWLDNNUERLJ-UHFFFAOYSA-N 335.319 3.231 30 40 EGEB N#Cc1cc(F)c(NCc2ccnc(OC3CCOCC3)c2)c(F)c1 79097131 KPEUXMKMIGJUOF-UHFFFAOYSA-N 345.349 3.401 30 40 EGEB CC1(C)C[C@H](NCc2nnc(-c3ccc(C#N)cc3)o2)C(C)(C)O1 97100439 ZMHUFZDEAWBROG-AWEZNQCLSA-N 326.400 3.044 30 40 EGEB N#Cc1ccccc1-c1ccc(CNC(=O)N2CCC(CO)CC2)cc1 91248043 OMIPZIXZAFZLBY-UHFFFAOYSA-N 349.434 3.139 30 40 EGEB COc1ccc(/C=N/CC(OC)OC)cc1OCc1ccccc1 18030144 LJOPWJLGPXUYFM-UDWIEESQSA-N 329.396 3.312 30 40 EGEB O=S(=O)(N/N=C/c1cccc(C(F)(F)F)c1)c1ccccc1 3526591 NIIYQNDZNFYIKS-VCHYOVAHSA-N 328.315 3.018 30 40 EGEB N#Cc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 15525383 RWQVOCGUFUWPDN-QGZVFWFLSA-N 334.375 3.307 30 40 EGEB N#Cc1cccc(C(=O)c2cccc(I)c2)c1 2392633 JKUXYTLWFOTEFJ-UHFFFAOYSA-N 333.128 3.394 30 40 EGEB Cc1ccccc1Nc1nc(N)nc(COc2ccc(CC#N)cc2)n1 10036403 BVMWMNONEJFGCR-UHFFFAOYSA-N 346.394 3.151 30 40 EGEB CC(C)c1nc(C#N)c(NC[C@@H](c2ccccc2)N2CCOCC2)o1 27748685 YTAKQHNXOFJVAL-KRWDZBQOSA-N 340.427 3.155 30 40 EGEB C=CCc1cc(/C=N/c2cccnc2)cc(OC)c1OCC(=O)O 59249603 VLWKHNYJQBPERO-KEBDBYFISA-N 326.352 3.033 30 40 EGEB CCC(=O)/N=C(\N=C(/O)CC)Nc1nc(C)c2cc(OC)ccc2n1 13756332 MYMWXKHOJCDOQS-UHFFFAOYSA-N 343.387 3.018 30 40 EGEB O=C(C[n+]1cc(-c2ccc(F)cc2)n2c1CCC2)Nc1ccccc1 13770034 OLDGYWFAGKTWQQ-UHFFFAOYSA-O 336.390 3.167 30 40 EGEB O=C(O)COc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1Cl 4739397 QGWSGEGZYQQWTN-CAOOACKPSA-N 349.730 3.158 30 40 EGEB COc1ccc(Cl)cc1/C=N/NCc1ccc(OC)c(OC)c1 20196307 IHKLGSUWZFQUTI-RGVLZGJSSA-N 334.803 3.490 30 40 EGEB COc1ccc(C(=O)/C=C2/Nc3ccc(Cl)cc3NC2=O)cc1 17142006 IRMJMNFQLKMQOA-OQLLNIDSSA-N 328.755 3.479 30 40 EGEB C=C(Cl)CN(C(=O)[C@H]1CCN(C)C(=O)C1)[C@@H]1CCc2ccccc21 69900728 GCQPPKHHPZIFTF-DOTOQJQBSA-N 346.858 3.123 30 40 EGEB CC[C@@H](CC#N)NC(=O)Nc1cccc(Br)c1COC 97141421 GIBHDFPEAFSCRG-JTQLQIEISA-N 340.221 3.409 30 40 EGEB C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 72499558 IXBWKEBYTBHDMF-MFKMUULPSA-N 342.317 3.100 30 40 EGEB CC(C)(C#N)c1ccccc1COc1c(CO)cc(F)cc1CO 184188888 CYDAKPDWRIXRQT-UHFFFAOYSA-N 329.371 3.190 30 40 EGEB CCCCCCCCNS(=O)(=O)c1cc(C(=O)O)ccc1C 226857384 LHFJVLQCUSSLBE-UHFFFAOYSA-N 327.446 3.332 30 40 EGEB C=CCNC(=O)c1ccc(OC)c(COc2ccccc2OC)c1 224238068 XLBCOLAUTGHFKM-UHFFFAOYSA-N 327.380 3.199 30 40 EGEB C=C(C)COCCNC(=O)Nc1cccc(Cn2nc(C)cc2C)c1 96475000 ZSHYLAXTCWFCNQ-UHFFFAOYSA-N 342.443 3.262 30 40 EGEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@H]2c1cccc(O)c1 12348623 RLJJQHARPJUDOA-ZDUSSCGKSA-N 325.368 3.022 30 40 EGEB Oc1ccc(Cl)cc1/C=N/Nc1nncc(-c2ccccc2)n1 13477132 QYLZMAKJXAWJIQ-GIJQJNRQSA-N 325.759 3.344 30 40 EGEB CCOc1ccccc1[C@H]1C2=C(C[C@H](C)CC2=O)Nc2nc(C)nn21 14608152 BWNFTXAUAASZKS-VOJFVSQTSA-N 338.411 3.253 30 40 EGEB COc1cccc(C/N=C2\Nc3ccccc3NC23CCNCC3)c1 32918738 JZYZLSKZIHZACA-UHFFFAOYSA-N 336.439 3.254 30 40 EGEB N#CCC1(COC(=O)c2cnn3c(-c4ccccc4)ccnc23)CC1 84562896 GGZYDAKWDGJBPG-UHFFFAOYSA-N 332.363 3.247 30 40 EGEB CC(=O)O/N=C(\c1ccccc1)c1c(C)nn(-c2ccccc2)c1O 6526617 HDLWEVJXGHQOTF-DYTRJAOYSA-N 335.363 3.202 30 40 EGEB CCN(C(=O)c1ccc(C#N)cc1)[C@@H](C)C(=O)Nc1ccc(C)cc1 8156760 KJETXVAAFSTVHQ-HNNXBMFYSA-N 335.407 3.356 30 40 EGEB C=CCn1c(SCc2c(C)noc2C)nc2ccccc2c1=O 3259326 BBQQXGCUDCNUCO-UHFFFAOYSA-N 327.409 3.480 30 40 EGEB COc1ccc([C@@H](C#N)NC(=O)[C@H](C)c2ccsc2)c(OC)c1 95399366 DUVURSUWJXNLTC-IAQYHMDHSA-N 330.409 3.250 30 40 EGEB COc1ccc(C[C@H](C#N)C(=O)Nc2ccc(F)cc2)c(OC)c1 57524932 SXVSNCSQEIGBRH-CYBMUJFWSA-N 328.343 3.164 30 40 EGEB C=CCNC(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)o1 2791915 ZFIPZSHPFVUFEI-UHFFFAOYSA-N 329.249 3.331 30 40 EGEB CC(=O)N(CCC(=O)N[C@@H](C#N)c1ccccc1C)Cc1ccccc1 66405490 SQUDHXHQCWJLCV-FQEVSTJZSA-N 349.434 3.115 30 40 EGEB C[C@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)Nc1ccccc1C#N 7472150 YCZXSLYCDQHIHE-LBPRGKRZSA-N 349.419 3.463 30 40 EGEB CCOc1ccccc1COC(=O)[C@@H](C)Oc1ccc(C#N)cc1 24810294 NYWYVLNSRSAJDH-CQSZACIVSA-N 325.364 3.468 30 40 EGEB Cc1noc(CCN/C(=N\C2CC2)N[C@@H](C)c2ccc(Cl)cc2)n1 73864927 PGTHQGHNZAFGCM-NSHDSACASA-N 347.850 3.033 30 40 EGEB CN1CCN(C(=O)/C=C/c2ccc(C#N)cc2)[C@@H](c2ccccc2)C1 30029695 CHHGOTZHUZOYOP-YVNCXZRQSA-N 331.419 3.087 30 40 EGEB COc1ccc(S(=O)(=O)Nc2ccc(C3(C#N)CC3)cc2)cc1 222989972 XAASNCLGKIMSRD-UHFFFAOYSA-N 328.393 3.051 30 40 EGEB CC1CCN(c2nn(-c3cccc(C(F)(F)F)c3)nc2C#N)CC1 256046579 GVHUJKGMFVAORF-UHFFFAOYSA-N 335.333 3.394 30 40 EGEB Cc1nc(CN2CCC[C@H](COc3cc(C#N)ccn3)C2)cs1 1776001289 JSTFDLQTVCOMCR-HNNXBMFYSA-N 328.441 3.009 30 40 EGEB C(=N/n1cnnc1SCc1ccccc1)\c1ccc2c(c1)OCO2 147643 TWFHHSFEUQQYFR-DJKKODMXSA-N 338.392 3.181 30 40 EGEB CC1(C)C[C@]2(CCO1)/C(=N/c1ccccc1)N=C(S)N2CC#N 18066624 VFKUELPTCOWTMI-QGZVFWFLSA-N 328.441 3.169 30 40 EGEB CN(C)c1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ncnn32)cc1 18196001 KIYUEVQLSILEJF-KRWDZBQOSA-N 337.427 3.002 30 40 EGEB C[C@@H]1CCc2sc(NC(=O)c3ccc(C#N)cc3)c(C(N)=O)c2C1 4071940 MRJSREBUHWFHCU-SNVBAGLBSA-N 339.420 3.096 30 40 EGEB Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Br)o2)c1 100871156 IYSYIJVISBZHRY-NSHDSACASA-N 347.168 3.312 30 40 EGEB CCOC(=O)[C@H](C#N)[C@H]1C=Cc2ccccc2N1C(=O)c1ccccc1 1621988 GADFRXVPCPNYRH-IEBWSBKVSA-N 346.386 3.432 30 40 EGEB N#Cc1ccc(CNC(=O)NC2CCN(Cc3ccccc3)CC2)cc1 42929510 GGXGCGVIBBMTPQ-UHFFFAOYSA-N 348.450 3.022 30 40 EGEB CNC(=O)C1CCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1 24992094 TZIXVLHXOBGYBE-UHFFFAOYSA-N 333.435 3.183 30 40 EGEB Cc1cc(NC(=O)CNc2ccccc2Oc2ncccc2C#N)on1 55844331 RKVLDMRLWLWCBG-UHFFFAOYSA-N 349.350 3.093 30 40 EGEB COc1cc(CN(C(=O)Nc2cccc(C#N)c2)C2CC2)ccc1O 56501833 WVTLGPXMUYWCNU-UHFFFAOYSA-N 337.379 3.469 30 40 EGEB COc1ccc(NC(=O)[C@@H](C#N)Cc2cc(OC)ccc2OC)cc1 57525128 OWGDKRQHANDTQW-CQSZACIVSA-N 340.379 3.033 30 40 EGEB Cc1cccc(N2CCN(CCC(=O)Nc3ccc(C#N)cc3)CC2)c1 24926627 YNLKDDLLRCWVSO-UHFFFAOYSA-N 348.450 3.018 30 40 EGEB Cc1ccc(CNC(=O)[C@@H](C#N)C(=O)CCCc2cccs2)cc1 102752359 NEMYYLQNAJITSZ-KRWDZBQOSA-N 340.448 3.405 30 40 EGEB N#Cc1ccc(Cl)cc1NC(=O)CN1CCc2sccc2C1 10340999 FDCMQHOVMJJTMI-UHFFFAOYSA-N 331.828 3.270 30 40 EGEB N#Cc1cc([N+](=O)[O-])ccc1Nc1ccc(F)c(N2CCCC2=O)c1 48324490 NXPBGRJGAICALK-UHFFFAOYSA-N 340.314 3.476 30 40 EGEB CN1CCc2c(sc(/N=C/c3ccc([N+](=O)[O-])cc3)c2C#N)C1 2745765 REZZCSDORLJKJP-GIJQJNRQSA-N 326.381 3.266 30 40 EGEB C/C(=N\OCC(=O)/N=c1\[nH]c2ccccc2s1)c1cccs1 9360833 MOXWQSHXFTWZGL-VCHYOVAHSA-N 331.422 3.159 30 40 EGEB C[C@@H](C#N)CSc1ccccc1NC(=O)CCN1CCSC1=O 71888204 YJFRHEPWDXXLEK-LBPRGKRZSA-N 349.481 3.436 30 40 EGEB Cc1ccc([C@H]2[C@H](C=O)[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 218656647 QKGKLUQMQDJVJF-ULQDDVLXSA-N 334.824 3.403 30 40 EGEB Cc1cccc(COc2nn(Cc3cccc(F)c3)c(N)c2C#N)c1 225842059 HIEUSZMHVRIXQJ-UHFFFAOYSA-N 336.370 3.412 30 40 EGEB CC[C@H](C(=O)NCC#CCN(C)Cc1ccccc1)c1ccccc1 75165140 LIHSLFSHRUUICJ-NRFANRHFSA-N 334.463 3.432 30 40 EGEB COC(=O)c1ccc(/N=C(/c2ccccc2)[n+]2cccc(C)c2N)cc1 227014173 ZIADSTHQTPITKN-ATJXCDBQSA-O 346.410 3.278 30 40 EGEB Cc1ccc(OCCNC(=S)Nc2ccc(CC#N)cc2)cc1 225561974 HWQWZQUVLFZFMM-UHFFFAOYSA-N 325.437 3.427 30 40 EGEB C#CCOc1ccc(CN[C@H](C)c2ccc(N3CCNC3=O)cc2)cc1 585086977 PDZYIUYAEIUURE-MRXNPFEDSA-N 349.434 3.079 30 40 EGEB N#Cc1ccnc(N2CCN(c3ccc(Br)cc3)CC2)c1 596456035 YZCNVWLFUACABL-UHFFFAOYSA-N 343.228 3.042 30 40 EGEB C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2ccc(C#N)nc2)C1 97227717 MFWFEUNLNYQIPV-KBPBESRZSA-N 330.432 3.083 30 40 EGEB Cc1ccc(S(=O)(=O)N[C@@]2(C=O)CCC[C@H]3CCCC[C@@H]32)cc1 5809810 MNWXOSNCJLKFNN-BPQIPLTHSA-N 335.469 3.201 30 40 EGEB C=CCNC(=O)c1ccccc1NS(=O)(=O)c1cc(C)ccc1C 16121112 UKVSNFQRDCORSG-UHFFFAOYSA-N 344.436 3.020 30 40 EGEB C=CCN(c1ccccc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 6587176 SBDIVEKLZIICIF-UHFFFAOYSA-N 332.381 3.285 30 40 EGEB C=CCSc1nnc(NC(=O)/C=C/c2ccccc2OC)s1 7594476 LVRZWDXFWABKIG-CMDGGOBGSA-N 333.438 3.477 30 40 EGEB Cc1ccc(N2C(=O)NC(=O)[C@H](C=Nc3ccc(C)c(C)c3)C2=O)cc1 408535420 OAWKZVPHEQCMLY-KRWDZBQOSA-N 349.390 3.213 30 40 EGEB C=CCc1cccc2cc(-c3nc4ccccc4c(=O)[nH]3)c(=O)oc12 5095344 AALQNWIWRDYWNK-UHFFFAOYSA-N 330.343 3.425 30 40 EGEB COc1cccc([C@@H]2C3=C(CCCC3=O)Nc3nc(SC)nn32)c1 4436104 AJKQWKOMCCNNHX-OAHLLOKOSA-N 342.424 3.031 30 40 EGEB N#Cc1cccc(NC(=O)CN(Cc2ccco2)Cc2ccco2)c1 7725857 RVSVKPHHAQJHTJ-UHFFFAOYSA-N 335.363 3.385 30 40 EGEB CCNc1ncc(/C(O)=N/c2nc(-c3sccc3C)n[nH]2)s1 95429487 UCXUDGLTYSPBHY-UHFFFAOYSA-N 334.430 3.366 30 40 EGEB COC(=O)c1cccc(/N=C\c2ccc(O[C@H](C)C(=O)O)cc2)c1 408846914 KOPXPQNAFKMRSS-ZDFPAGSVSA-N 327.336 3.076 30 40 EGEB C=CCn1c(CCCCCCC)nnc1SCC(=O)NC1CC1 408560773 OXDBMXNQLJEAGA-UHFFFAOYSA-N 336.505 3.348 30 40 EGEB Cc1nc(Br)cc2c(N(C)C[C@@H](C)C#N)c(C#N)cnc12 521398594 SHUGIRMTDMSHME-VIFPVBQESA-N 344.216 3.168 30 40 EGEB CCOc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc(Cl)c1O 408910127 JEXOFNIBQZCVED-IDUWFGFVSA-N 336.735 3.194 30 40 EGEB C=CCN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 224792877 IWBOZRHVABUJGR-UHFFFAOYSA-N 347.436 3.394 30 40 EGEB N#CCCN(CC1CC1)C(=O)c1cnn2c(-c3ccccc3)ccnc12 96404044 WWDOAOFZFLXIOQ-UHFFFAOYSA-N 345.406 3.162 30 40 EGEB CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)/C=C/c1ccccc1Cl 22112380 MFHSOXZZEJEZKX-XYKJIAALSA-N 348.830 3.339 30 40 EGEB N#C[C@H](C(=O)NC1CC1)C(=O)c1sc2cc(F)ccc2c1Cl 103504754 GSKKDJOWLHAKAC-JTQLQIEISA-N 336.775 3.295 30 40 EGEB COc1ccccc1[C@@H](C#N)NC(=O)c1ccccc1Br 79047010 GJXWFUYRYWYUES-CQSZACIVSA-N 345.196 3.452 30 40 EGEB O=c1[nH]c(N/N=C/c2cc(Cl)cc(Cl)c2O)nc2ccccc12 6565860 MPAQSXJTXWNBDV-CNHKJKLMSA-N 349.177 3.382 30 40 EGEB CN(CC1CC1)C(=O)CNc1cccc(Oc2ccc(C#N)cn2)c1 95418002 JCJRQMOQRKSRTG-UHFFFAOYSA-N 336.395 3.026 30 40 EGEB C[C@@H]1C[C@H]2[C@@H]3CC[C@](C)(O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12 118925720 LZRQDFQQYIQZLG-JVXGTMRJSA-N 332.484 3.486 30 40 EGEB C/C(=N\NC(=S)NC[C@@H]1CCCO1)c1ccc2ccccc2c1 8285800 JZXIMLISEMWKMS-NNIWKIFQSA-N 327.453 3.207 30 40 EGEB C[C@H](OC(=O)c1ccc(Cl)c(N)c1)C(=O)Nc1sccc1C#N 9885007 ACRKTAUJXVWYEB-QMMMGPOBSA-N 349.799 3.039 30 40 EGEB COc1cccc(OC)c1CC(=O)N[C@@H](C#N)c1cccc(Cl)c1 89471437 CSOJRFHDKCNMJN-HNNXBMFYSA-N 344.798 3.281 30 40 EGEB CCC[C@@H](c1ccccn1)N(C)C(=O)C#Cc1ccc2c(c1)OCO2 195540147 BHXHETXOUQGLNM-KRWDZBQOSA-N 336.391 3.162 30 40 EGEB Cc1cc(S(=O)(=O)/N=C(\O)CCc2cncc(F)c2)c(C)s1 96491211 LFKRSLDESHTPSC-UHFFFAOYSA-N 342.417 3.177 30 40 EGEB N#Cc1ccc(CN2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1 24002008 RVQHHLUJSFDTNY-UHFFFAOYSA-N 345.402 3.262 30 40 EGEB N#C[C@@H](C(=O)C[C@H](c1ccccc1)C(F)(F)F)C(=O)N1CCCC1 102766131 PYPUQLLKWOYTKB-UONOGXRCSA-N 338.329 3.054 30 40 EGEB Cc1nc(C)c(C#N)c(S[C@@H](C)C(=O)Nc2ccccc2F)n1 25960238 SNDUNKQWJLYDQN-JTQLQIEISA-N 330.388 3.224 30 40 EGEB C#CCNC(=O)[C@H](C)Sc1nnc(-c2ccccc2)n1[C@@H](C)CC 58197170 LWYYGXMVVOULPX-KBPBESRZSA-N 342.468 3.146 30 40 EGEB CC1=NN(c2ccc(C(=O)N(CCC#N)Cc3ccco3)cc2)CC1 58201426 BDILTUANQUFAMY-UHFFFAOYSA-N 336.395 3.422 30 40 EGEB O=c1oc2ccccc2cc1-c1nn(-c2ccccc2)cc1/C=N\O 100468474 OFABHCUVDOROEK-JAIQZWGSSA-N 331.331 3.454 30 40 EGEB O=S(=O)(/N=C(\O)Cc1csc(-c2ccco2)n1)c1ccccc1 48405989 XICDCRQEDXWUDE-UHFFFAOYSA-N 348.405 3.291 30 40 EGEB C[C@H](O/N=C/c1ccccc1OC(F)F)C(=O)NC1CCCC1 6559166 ZTDFVWDDOLVJTN-VSMYLPJWSA-N 326.343 3.086 30 40 EGEB Cc1cc(SCC(=O)N[C@](C)(C#N)C2CC2)nc2ccccc12 5934798 FSOKNERZRRBBHH-GOSISDBHSA-N 325.437 3.444 30 40 EGEB COc1cccc([C@]2(O)CC[C@H]3CN(Cc4cccc(C#N)c4)C[C@H]32)c1 229941493 LAKGZRJWGZDTEI-VLCRHTCISA-N 348.446 3.296 30 40 EGEB N#Cc1cc(NCc2nnc3n2CCCC3)nc2ccc(Cl)cc12 92612031 DWLDXEFRDXLUAI-UHFFFAOYSA-N 338.802 3.300 30 40 EGEB COc1ccc(C[S@@](=O)Cc2cc(F)ccc2OC)cc1C#N 95431232 MTQBBYQPHUQGRB-QHCPKHFHSA-N 333.384 3.163 30 40 EGEB C=CCNc1ncc(C(=O)N[C@@H](C)c2nc(C3CCCC3)no2)s1 95429508 NYIUGARMTHHLMM-JTQLQIEISA-N 347.444 3.273 30 40 EGEB N=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=N)O 97941855 DIWAIUQWMKQCTO-UHFFFAOYSA-N 338.101 3.233 30 40 EGEB Cn1c(CN2CCN(c3ccccc3)CC2)c(C#N)c2ccccc21 54956619 FPDMFXMAJZZYRA-UHFFFAOYSA-N 330.435 3.372 30 40 EGEB C[C@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(Cl)c(Cl)c1 6606859 KDVHMJXEJIHLMJ-QFYYESIMSA-N 340.254 3.452 30 40 EGEB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](C=O)[C@@H]2c2ccc(Cl)cc2)cc1 218634868 JEMOGBHFOPSGNU-ULQDDVLXSA-N 334.824 3.403 30 40 EGEB COc1ccc(OC)c(CN(C(=O)c2cccc(C#N)c2)C2CC2)c1 25805334 VXLIHAYJUHJERF-UHFFFAOYSA-N 336.391 3.380 30 40 EGEB N#C[C@H](C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)c1nc2ccccc2[nH]1 41494883 TWUZKOHBKAUWEP-QWHCGFSZSA-N 348.337 3.004 30 40 EGEB Cc1csc(C(C)(C)NCC(=O)NC2(C#N)CCCCCC2)n1 72663271 NRHUHGUWUUJLEV-UHFFFAOYSA-N 334.489 3.009 30 40 EGEB Cc1cc(=O)oc2cc(NC(=O)[C@@H](C)Oc3ccc(C#N)cc3)ccc12 13007823 QQCNSASWUPNUMB-CYBMUJFWSA-N 348.358 3.379 30 40 EGEB COc1cccc(C(=O)/C=C2\NCCc3cc(OC)c(OC)cc32)c1 4084241 GGANUQOGQFRQCB-ATVHPVEESA-N 339.391 3.082 30 40 EGEB biogenic C=CCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(C)=O 13720081 IQQCKIUTYNECIR-UHFFFAOYSA-N 346.452 3.391 30 40 EGEB CC/N=C1\S/C(=C/c2ccc(OC)c(OCC)c2)C(=O)N1CC 4695903 MLRIJTQFILPPFW-ODVGHASUSA-N 334.441 3.406 30 40 EGEB C=CCN1c2ccccc2N[C@@H]2[C@@H]1[C@H](C(C)=O)C(=O)N2c1ccccc1 4624370 DDDSBDPXUPSYNO-UFYCRDLUSA-N 347.418 3.051 30 40 EGEB COc1cc(NC(C)=O)c(Cl)cc1C(=O)Nc1ccccc1C#N 4783406 PVFXBPUFEVAZGK-UHFFFAOYSA-N 343.770 3.431 30 40 EGEB CCOc1c(Cl)cc(/C=C2/S/C(=N/C)N(C)C2=O)cc1OC 408929162 HVPIFMZNASLSPO-MSEWRAJFSA-N 340.832 3.279 30 40 EGEB CN(C)CCn1ccc2ccc(NC(=O)c3sccc3C#N)cc21 76091499 BOAGCTSMPDWPPM-UHFFFAOYSA-N 338.436 3.388 30 40 EGEB CC(C)(C)c1csc([C@@H]2CN(c3ccc(C#N)cn3)CCO2)n1 65492405 PIFHRDHRNKZKAI-ZDUSSCGKSA-N 328.441 3.285 30 40 EGEB CCc1ccc(O)c(/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)c1 3091170 CMZGUSIZJYKVIN-LZYBPNLTSA-N 331.284 3.227 30 40 EGEB C#CCn1/c(=N/C(=O)c2ccccc2F)sc2cc(F)ccc21 100875405 LHHLOKLCSVSYFT-JZJYNLBNSA-N 328.343 3.355 30 40 EGEB CC(=O)NCc1ccc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 25438731 AZRNVZYJOHFMRB-UHFFFAOYSA-N 335.407 3.376 30 40 EGEB C[C@@H]1CN(c2ccccc2NC(=O)N[C@@H]2CCC[C@H]2C#N)C[C@@H](C)O1 108177006 POBOQUQRPIILEY-LVQVYYBASA-N 342.443 3.114 30 40 EGEB Cc1ccc(-c2nc(C(=O)Nc3nc(C#N)c(C#N)[nH]3)cs2)c(C)c1 58283211 PATKADWXXBTYHA-UHFFFAOYSA-N 348.391 3.146 30 40 EGEB C=CCC(=S)Nc1nc2c(cc1C(=O)OCC)COC(C)(C)C2 6206710 WPWNWAPTNBSACK-UHFFFAOYSA-N 334.441 3.425 30 40 EGEB N#Cc1c(Cl)nsc1N[C@@H]1CCN(c2ccccc2F)C1=O 71900455 YVYNCVCETUFAEN-SNVBAGLBSA-N 336.779 3.025 30 40 EGEB CN(C)c1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1 409032083 ITTKWCLMKVLEDF-SCDVKCJHSA-N 331.235 3.467 30 40 EGEB Cc1c(CNc2ccc(NC(=O)c3ccccc3)nc2)cc(C#N)n1C 95992362 MYOKVAPOUQUJSF-UHFFFAOYSA-N 345.406 3.465 30 40 EGEB C=CCN[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)cc1F 95964957 HBJAPXNFEUFCLI-QGZVFWFLSA-N 337.391 3.233 30 40 EGEB N=c1[nH]nc(-c2cccc(/N=C/c3cccc([N+](=O)[O-])c3)c2)s1 408718327 SBGXHIBHAFCPLK-RQZCQDPDSA-N 325.353 3.276 30 40 EGEB Cc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)C2(C#N)C#N)cc1 218333820 HYTCXPSEGUVVFU-ZWKOTPCHSA-N 336.416 3.277 30 40 EGEB Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)C2(C#N)C#N)cc1 218333737 HYTCXPSEGUVVFU-QZTJIDSGSA-N 336.416 3.277 30 40 EGEB C=C(Cl)CS(=O)(=O)N1CCC(OCc2ccccc2C)CC1 195578843 GSIHULVELGRYAB-UHFFFAOYSA-N 343.876 3.058 30 40 EGEB C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(OCC)cc1 224589402 PWFOSBVUIXRSBZ-UHFFFAOYSA-N 347.436 3.475 30 40 EGEB C=CCOC[C@]12CCCO[C@@H]1CCN(C(=O)CCc1ccccc1)C2 96039679 KFIZJKWVWHJLIJ-TZIWHRDSSA-N 343.467 3.220 30 40 EGEB CC(C)n1cnc2cc(/C(O)=N/S(=O)(=O)C3CCCC3)ccc21 96494980 VILFOVJRWMCCEZ-UHFFFAOYSA-N 335.429 3.194 30 40 EGEB CCN1CC[C@H](CNC(=O)c2ccccc2Oc2ccccc2C#N)C1 96496467 SYPCTGXFYPJNMY-MRXNPFEDSA-N 349.434 3.422 30 40 EGEB COc1ccccc1NC(=S)N/N=C1\CCc2c(O)cccc21 98054194 BCDSOEAPZRQTBR-CPNJWEJPSA-N 327.409 3.038 30 40 EGEB CCOC(=O)c1csc(N/N=C(\C)c2cnc3ccccc3n2)n1 16687929 OVZIOFLPHQWQKU-KEBDBYFISA-N 341.396 3.099 30 40 EGEB N#Cc1cc2nc3ccccc3c-2n(-c2ccc([N+](=O)[O-])cc2)c1N 1303524 VQJUHNUNFLUGJI-UHFFFAOYSA-N 329.319 3.492 30 40 EGEB O=C1/C(=N\O)c2cc(Cl)ccc2N1CCCOc1ccccc1 101102039 ZFZDTFSLTFERLH-MNDPQUGUSA-N 330.771 3.334 30 40 EGEB C=CCO[C@@H](C)C(=O)N[C@H](C)c1ccc(OC)c(Br)c1 58342997 XHQGLRKFTKANCD-MNOVXSKESA-N 342.233 3.226 30 40 EGEB C[C@@H](Oc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1)C(=O)O 13361723 FSLXJRQCTBHXED-KBVBDRTLSA-N 341.319 3.343 30 40 EGEB Cc1cccc(COc2ccc(/C=N/NC3=NC(=O)CS3)cc2)c1 13942795 RVEBXWWXBZNFBC-VXLYETTFSA-N 339.420 3.127 30 40 EGEB Cc1cccc(/N=C2/NC(=O)[C@@H](Cc3ccccc3[N+](=O)[O-])S2)c1 5533048 RRSCHJJCDBRLLU-OAHLLOKOSA-N 341.392 3.365 30 40 EGEB COCc1cc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)no1 80161213 HHKLLBWRTWJOMH-LBPRGKRZSA-N 340.166 3.122 30 40 EGEB C[C@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1cccc(C#N)c1 7848356 SIBKYUPPEUYXJA-AWEZNQCLSA-N 348.406 3.124 30 40 EGEB COc1cccc(/C=C/C(=O)C(C(=O)O)=C2SCCCS2)c1 62716089 QBGNYQSRNBAEGE-VOTSOKGWSA-N 336.434 3.444 30 40 EGEB N#CC1(C(=O)NCc2cccc(CN3CCCCCC3)c2)CCC1 89774545 WVBAPIQSDMMCCV-UHFFFAOYSA-N 325.456 3.373 30 40 EGEB Cc1nn(C)cc1/C=C/C(=O)c1cc(C(=O)O)ccc1OC(C)C 585135992 LLKKAGBIYTYOMJ-FNORWQNLSA-N 328.368 3.110 30 40 EGEB C=CCn1c(=N)n(C[C@@H](O)c2ccc(Cl)cc2)c2ccccc21 19854808 XYQHBZYXGYAYDS-QGZVFWFLSA-N 327.815 3.495 30 40 EGEB CCOC(=O)/C(=N/Nc1ncnc2ccccc12)c1cccs1 33480556 TXJKOMMSSWTHSI-XMHGGMMESA-N 326.381 3.071 30 40 EGEB S=C(NCCc1ccccc1)N/N=C/c1ccc2ncccc2c1 12659570 DOIYAJNKBPULFN-HYARGMPZSA-N 334.448 3.276 30 40 EGEB CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)Cn2ccnc2C#N)cc1 179862897 DNHMLCWAOFSFRQ-KRWDZBQOSA-N 336.439 3.416 30 40 EGEB Sc1nncn1/N=C/c1ccc(COc2cccc(Cl)c2)o1 2790214 ZEPBEVCGUCOMOQ-REZTVBANSA-N 334.788 3.274 30 40 EGEB C[C@@H](C#N)Sc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1 4494152 DKYPOPMUHOUZLG-SMDDNHRTSA-N 332.404 3.267 30 40 EGEB Cc1c(CNC2CCN(Cc3ccccc3F)CC2)cc(C#N)n1C 71810445 SYSINCUNEPGIDT-UHFFFAOYSA-N 340.446 3.099 30 40 EGEB COc1ccc([C@H](C#N)NC(=O)[C@H](C)c2ccsc2)c(OC)c1 95399364 DUVURSUWJXNLTC-ABAIWWIYSA-N 330.409 3.250 30 40 EGEB CC1(C)CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1ccnc2ccccc12 18200897 XXSVDRNZXBXDRG-GOSISDBHSA-N 345.406 3.484 30 40 EGEB C[S@@](=O)CCC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 95978922 RAPNLFFLBKSFOX-DEOSSOPVSA-N 346.383 3.197 30 40 EGEB Cc1ccc(CNCc2ccc(C#N)o2)c(OC[C@@H]2CCOC2)c1 88753657 KQWWXPMWNXPRCP-OAHLLOKOSA-N 326.396 3.165 30 40 EGEB CC/N=C(/NCc1nc(C)c(C)s1)N[C@H]1CCOc2ccccc21 89015598 LCSDUNUCTFEQNE-HNNXBMFYSA-N 344.484 3.339 30 40 EGEB O=[N+]([O-])c1cc(/C=N/Nc2nc3ccccc3s2)c(O)cc1O 36579800 ZDQLTRMHGPJMSX-VIZOYTHASA-N 330.325 3.062 30 40 EGEB Cc1nc(S(=O)(=O)Cc2cccc(C#N)c2)n(C2CCCC2)c1C 78554118 BQGQURXRGNRLJS-UHFFFAOYSA-N 343.452 3.461 30 40 EGEB CCn1cc(/C(O)=N/S(=O)(=O)[C@@H](C)CC(C)C)c(C(C)C)n1 77957115 YVKWEEUFMHARHA-LBPRGKRZSA-N 329.466 3.095 30 40 EGEB C=CCN(Cc1ccc(C(F)(F)F)cc1C)[C@@H]1CCS(=O)(=O)C1 191056555 OZRUIMCZSJFMFT-OAHLLOKOSA-N 347.402 3.189 30 40 EGEB CC[C@@H](CC#N)NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 97096177 HLJAJGCWCHEUHL-QMMMGPOBSA-N 341.165 3.171 30 40 EGEB Cc1ccccc1C[C@@H](C)NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 279397037 UVYSXLJYBJXVCW-OXQOHEQNSA-N 331.419 3.296 30 40 EGEB N#Cc1ccc(OCC(=O)Oc2ccccc2Br)cc1 5559464 SWEVQCLGZPKYOK-UHFFFAOYSA-N 332.153 3.305 30 40 EGEB C[C@@H](OC(=O)c1cc2ccccc2[nH]1)C(=O)Nc1cccc(C#N)c1 5037096 GDLYJQBNAIXEEI-GFCCVEGCSA-N 333.347 3.224 30 40 EGEB N#Cc1c(SCC(N)=O)nc2c(c1-c1cccs1)CCCC2 501198 ACBOTRPMGFRFIY-UHFFFAOYSA-N 329.450 3.138 30 40 EGEB c1ccc(C(=Nc2cnc(-n3cnnc3)cn2)c2ccccc2)cc1 1857793407 ZUBYSCAFVPSVHG-UHFFFAOYSA-N 326.363 3.226 30 40 EGEB O=C1N/C(=N/N=C\c2cccs2)S[C@H]1Cc1ccc(F)cc1 4866453 FVJDHQXBYPVFCY-OLWAXZHHSA-N 333.413 3.051 30 40 EGEB Cc1ccccc1N1CCN([C@H](C)C(=O)Nc2ccc(C#N)cc2)CC1 57703855 SSKOVJXYWKMJCO-QGZVFWFLSA-N 348.450 3.016 30 40 EGEB CC1(C)CC(NC(=O)[C@@]23CC[C@@](C)(/C(=N/O)C2)C3(C)C)CC(C)(C)N1 5047236 NWZQLOQRFLXCRT-IYFKYTRQSA-N 349.519 3.458 30 40 EGEB C=CCOc1ccccc1C(=O)N1CCC2(CC1)OCC(C)(C)CO2 65516477 IPBVOWFENKHAKW-UHFFFAOYSA-N 345.439 3.257 30 40 EGEB N#Cc1cccc(NC(=O)CNC(=O)c2ccc(Cl)cc2Cl)c1 6559247 FESMVEUHCMVDFY-UHFFFAOYSA-N 348.189 3.234 30 40 EGEB N#CCc1ccc(NC(=O)CSc2ncnc3sccc23)cc1 8126310 DOWRQRWETISYPK-UHFFFAOYSA-N 340.433 3.488 30 40 EGEB COc1cc(N2CCOCC2)ccc1/C=N/c1ccccc1OC 409234702 XKHUOTRFQWVXOD-XSFVSMFZSA-N 326.396 3.291 30 40 EGEB Cc1ccc(S(=O)(=O)/N=C(O)/C=C/c2cnc(C)s2)c(F)c1 75040417 ANEWBRJABRCWPX-GQCTYLIASA-N 340.401 3.258 30 40 EGEB C=CCNc1nnc(SCc2ncnn2-c2ccccc2)s1 225568747 JCCVNLRPDRENNV-UHFFFAOYSA-N 330.442 3.009 30 40 EGEB COc1ccc(CN2C(=O)/C(=N\O)c3cccc(Cl)c32)cc1OC 46084736 QLAXRIUYLGZEIY-CYVLTUHYSA-N 346.770 3.082 30 40 EGEB O=c1c2c3c(sc2ncn1/N=C/c1ccccc1F)CCCC3 44393364 WOKJJXLWVVCCTG-AWQFTUOYSA-N 327.384 3.358 30 40 EGEB C[C@H](NCCOc1ccccc1C#N)c1ccc2c(c1)CCC(=O)N2 96491055 WWNVGVZZDXIMRT-AWEZNQCLSA-N 335.407 3.173 30 40 EGEB N#C[C@H](C(=O)c1cc2cc(F)ccc2o1)c1nnc2n1CCCCC2 97103746 SACQLBUNXMCGGC-CYBMUJFWSA-N 338.342 3.380 30 40 EGEB CC(=O)Nc1ccc(C#CC2(NC(=O)C(C)(C)C)CCCCC2)cn1 12219562 DKOQEOUWAWQAST-UHFFFAOYSA-N 341.455 3.257 30 40 EGEB C[C@H](Sc1nc(C2CCCC2)n[nH]1)C(=O)Nc1cccc(C#N)c1 12103855 BBQZMVLSSJKNJJ-NSHDSACASA-N 341.440 3.453 30 40 EGEB CC(=O)C1=C(O)C(=O)N(c2ccc(O)cc2)[C@H]1c1ccc(F)cc1 80224 LEQUCPMBDDNNFN-INIZCTEOSA-N 327.311 3.020 30 40 EGEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N[C@@H]2c2ccc(Cl)cc2)cc1 102927789 PIHRJTYTXMMHQA-DPEHCCBOSA-N 327.767 3.358 30 40 EGEB O=S(=O)(c1ccc2ccccc2c1)N(C[C@H]1CO1)c1ccccc1 380612 YXMGARRZHSKZJO-SFHVURJKSA-N 339.416 3.434 30 40 EGEB C[C@@H](CNC(=O)Nc1cccc(C#N)c1)CN(C)C(=O)OC(C)(C)C 78644825 HCHKUNAJVLVDKF-ZDUSSCGKSA-N 346.431 3.183 30 40 EGEB CCCCCCCCNC(=S)Nc1nc(OC)cc(OC)n1 59662611 BQDSXVLVXITZRJ-UHFFFAOYSA-N 326.466 3.141 30 40 EGEB C#CCNC(=O)[C@@H](C)Sc1nnc(-c2ccccc2)n1[C@@H](C)CC 58197173 LWYYGXMVVOULPX-UONOGXRCSA-N 342.468 3.146 30 40 EGEB C=CCNC(=O)c1ccc(NC(=O)NCc2ccccc2F)cc1 48149269 RWFBACQQXQNGOR-UHFFFAOYSA-N 327.359 3.063 30 40 EGEB N#Cc1cccc(COC(=O)Cc2csc(-c3ccccn3)n2)c1 28299092 OKJXBMBSOVYMQY-UHFFFAOYSA-N 335.388 3.363 30 40 EGEB N#CCCN(C(=O)c1sccc1Br)C1CCOCC1 71889104 JWTDSKHRHHPIDW-UHFFFAOYSA-N 343.246 3.045 30 40 EGEB N#Cc1cccc(CNCC2CCN(C[C@@H](O)c3ccccc3)CC2)c1 69490714 KWWUQZVCFDEYEB-JOCHJYFZSA-N 349.478 3.093 30 40 EGEB C[C@@H](NC(=O)NC1CCN(C2CCCC2)CC1)c1cccc(C#N)c1 89905164 WSHIYHPZDKXSAE-OAHLLOKOSA-N 340.471 3.325 30 40 EGEB N#Cc1c(Br)nc(/C=C/c2ccccc2)c(C#N)c1N 78549754 CSMBLBFDWCQVJS-VOTSOKGWSA-N 325.169 3.340 30 40 EGEB N#CCCN(Cc1ccccn1)C(=O)Nc1ccc(-n2cccn2)cc1 96474125 VEJFEJDJKBFZKH-UHFFFAOYSA-N 346.394 3.215 30 40 EGEB Cc1ccc(C#N)cc1NC(=O)c1c(C(F)F)nc2cnccn12 1126697530 CGHGDFGLEOGTQU-UHFFFAOYSA-N 327.294 3.099 30 40 EGEB N#Cc1ccc(OS(=O)(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 585115926 ZTUQWSAFZAQXST-YPMHNXCESA-N 333.331 3.388 30 40 EGEB Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ccccc3C#N)n2)cc1 5868272 AFXVNRZAWNBZFO-UHFFFAOYSA-N 349.419 3.383 30 40 EGEB N#Cc1ccccc1OS(=O)(=O)c1ccc(C(F)(F)F)cc1 16093759 ZLXPYOBTQYNJQN-UHFFFAOYSA-N 327.283 3.345 30 40 EGEB N#Cc1ccccc1-c1ccc(/C=N/N2C(=O)CSC2=S)o1 5322569 ZRXCBNVYOSYKST-CAOOACKPSA-N 327.390 3.012 30 40 EGEB N#Cc1nc(-c2cccc3ccccc23)oc1NCCN1CCOCC1 20357562 KWBKEIGMVBUGGD-UHFFFAOYSA-N 348.406 3.111 30 40 EGEB COc1cccc(/C=N/n2cnnc2SCc2ccccc2)c1O 147622 OGUJEDSYNZFHHM-VXLYETTFSA-N 340.408 3.167 30 40 EGEB C=CCN1C(=O)N=C(O)/C(=C(O)\C=C\c2c[nH]c3ccccc23)C1=O 101234300 UZSRTDQAMUBOPW-KAAZQUNHSA-N 337.335 3.098 30 40 EGEB C[C@H](Oc1ccc(OCc2ccccc2C(C)(C)C#N)cc1)C(N)=O 89369118 JYCYXKQYKZJUEG-AWEZNQCLSA-N 338.407 3.319 30 40 EGEB C=CCN(CC(F)(F)F)C(=O)c1ccc(OC)c(OC(F)F)c1 58298079 LUUBPJSTUAYHKG-UHFFFAOYSA-N 339.260 3.487 30 40 EGEB O=C(NCC#Cc1ccccc1)c1c[nH]c(=S)n1-c1ccccc1 58356441 QNQFNGXDWLXDJC-UHFFFAOYSA-N 333.416 3.316 30 40 EGEB C[C@H](CNC(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1 12783858 JVXXAGRTKBVCMJ-MRXNPFEDSA-N 348.450 3.090 30 40 EGEB Cc1ccsc1C(=O)OCC(=O)Nc1ccc(C#N)c(Cl)c1 3384092 HPQFHDIWYLSKSA-UHFFFAOYSA-N 334.784 3.377 30 40 EGEB CN1CCN(C(=O)Nc2ccc(F)cc2C#N)[C@@H](c2ccccc2)C1 12927618 GCFOQGMMPHDJEB-GOSISDBHSA-N 338.386 3.218 30 40 EGEB N#Cc1cnn(C(=O)c2cc(-c3ccccc3)nc3ccccc23)c1N 64447488 CMRAWDMUYCUKRH-UHFFFAOYSA-N 339.358 3.241 30 40 EGEB Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C#N)CC2=O)cc1C 8265538 VZBBFTNRCKFZOL-INIZCTEOSA-N 333.391 3.167 30 40 EGEB C=CCCO[C@H](C)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C 69322523 GCHSFXQDDKACCR-QGZVFWFLSA-N 345.487 3.057 30 40 EGEB N#Cc1ccc(CSc2nnnn2Cc2ccccc2)c(F)c1 8877720 DMECJXBFQBUGIA-UHFFFAOYSA-N 325.372 3.024 30 40 EGEB N#CCC(=O)NCCOc1ccc2cc(Br)ccc2c1 97163702 SVEFDFCUTOZRES-UHFFFAOYSA-N 333.185 3.011 30 40 EGEB CC[C@@H]1CN(/C(=N/C)NCc2ccnn2C)CC[C@H]1c1ccccc1 95975405 PMTABNOETBWAGF-VQIMIIECSA-N 339.487 3.011 30 40 EGEB N#Cc1cccc(NC(=O)C2CCN(C(=O)c3ccsc3)CC2)c1 30619055 RLQJJKYTSHYHOZ-UHFFFAOYSA-N 339.420 3.111 30 40 EGEB COC1(C(=O)Nc2ccc(OC(C)=O)c(C#N)c2)CCCCCC1 225806779 LKUHNXGDBLIXDH-UHFFFAOYSA-N 330.384 3.161 30 40 EGEB C[C@@]1(/C(O)=N/c2nncn2Cc2ccccc2)CC1(Cl)Cl 78774171 BISUOILXSBWKGH-ZDUSSCGKSA-N 325.199 3.498 30 40 EGEB CCc1ccc(C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)o1 40511111 YEIFZLDOGXHWIT-QGZVFWFLSA-N 341.386 3.004 30 40 EGEB N#CC1(C(=O)N[C@@H]2C(=O)Nc3c2ccc(Cl)c3Cl)CCCC1 101046530 NLHLTURAGVUCPY-LBPRGKRZSA-N 338.194 3.187 30 40 EGEB CCO[C@@H](CC)C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 103633214 UHWZWSFBPCMTGW-MFKMUULPSA-N 343.210 3.456 30 40 EGEB O=C1CCCC(NCc2ccccc2)=C1I 100682555 UYTDBLUEWFYFLK-UHFFFAOYSA-N 327.165 3.176 30 40 EGEB COc1ccc(-c2n[nH]c(=S)n2/N=C\c2ccc(O)cc2)cc1 51376571 BZNVVDOHNVVNMT-YVLHZVERSA-N 326.381 3.204 30 40 EGEB Cc1ccc(S(=O)(=O)Nc2nc(C)c(Cl)c(N=[N+]=[N-])n2)cc1 13635181 NAGYPUCLEQUSIA-UHFFFAOYSA-N 338.780 3.489 30 40 EGEB Cc1ccc(/N=C2\NC(=O)[C@@H](CC(=O)Nc3ccccc3)S2)cc1 5584073 XZSVENAFEDKZJX-OAHLLOKOSA-N 339.420 3.243 30 40 EGEB COc1ccc(N/C=C/C(=O)c2ccc3c(c2)OCO3)cc1OC 4706702 JSQHBZDOTOUVSJ-BQYQJAHWSA-N 327.336 3.241 30 40 EGEB C[C@@H]1CCC[C@H](N2C[C@H](C(=O)Nc3cccc(C#N)c3)CC2=O)[C@@H]1C 7397988 HMPYZYPZCIPARC-SZXPJGKVSA-N 339.439 3.170 30 40 EGEB C=C(C)CN1CCC(NC(=O)Nc2ccc(NC(=O)OC)cc2)CC1 71880044 UXYCZTXSBNXEGS-UHFFFAOYSA-N 346.431 3.027 30 40 EGEB COc1ccc2c(CC(=O)N(CCC#N)Cc3ccccn3)coc2c1 69770175 OYIWRSFZHILZLU-UHFFFAOYSA-N 349.390 3.321 30 40 EGEB N#C[C@H](NC(=O)c1cc(F)c(F)c(O)c1F)c1ccc(F)cc1F 97374754 OXSJCJDGEJJEQM-NSHDSACASA-N 342.223 3.082 30 40 EGEB O=C(O)COc1ccc(/C=N/Cc2ccc(C(=O)O)cc2)cc1Cl 408853146 MARNCCUZYGXZGC-DJKKODMXSA-N 347.754 3.121 30 40 EGEB O=[N+]([O-])c1ccc(N/N=C\c2cc3ccccc3[nH]2)c([N+](=O)[O-])c1 408933461 ACRHTTQRTCWDEI-SXGWCWSVSA-N 325.284 3.430 30 40 EGEB C#Cc1cccc(N(C)C(=O)c2cc(C)ccc2NC(=O)N(C)C)c1 73367003 VBFCVJCMZIHWCT-UHFFFAOYSA-N 335.407 3.346 30 40 EGEB COC(=O)c1cccc(N/C=C/C(=O)c2ccc(OC)c(OC)c2)c1 44843641 AXUVOCVQJXCDIJ-MDZDMXLPSA-N 341.363 3.299 30 40 EGEB C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)Nc1ccc(C#N)cn1 95430303 CGBXTNOWWXJHAL-OAHLLOKOSA-N 349.438 3.383 30 40 EGEB C/N=C(/NCCC1=CCOCC1)N1CC=C(c2ccccc2)CC1 97021331 UKHVMKHARGMDQR-UHFFFAOYSA-N 325.456 3.088 30 40 EGEB CCOP(=O)(OCC)/C(C#N)=N/OC(=O)NC1CCCCC1 2268351 KWXYJRLDFJSPEG-FOWTUZBSSA-N 331.309 3.148 30 40 EGEB C[C@](O)(C#C[C@@](O)(c1ccccc1)C(F)(F)F)c1ccccc1F 4334543 YZRQUFKFGIXVJU-DLBZAZTESA-N 338.300 3.487 30 40 EGEB Cc1cccc(Cn2cccc(C(=O)Nc3ccccc3C#N)c2=O)c1 5269661 WSGDKTMUINBANU-UHFFFAOYSA-N 343.386 3.329 30 40 EGEB O/C(=N\c1nncn1Cc1ccccc1)[C@@H]1CCN1Cc1ccccc1 96444752 SWZXLPJXOXUCDK-SFHVURJKSA-N 347.422 3.189 30 40 EGEB COc1ccc2c(c1)/C(=N/OCc1cc(-c3ccccc3)on1)C(=O)N2 40151430 LKPPZXKILWDNHA-UHFFFAOYSA-N 349.346 3.223 30 40 EGEB CN(Cc1ccc(OC(F)F)cc1)C(=O)NCC#Cc1ccccc1 32802873 DOFZCSUXOUZZEW-UHFFFAOYSA-N 344.361 3.481 30 40 EGEB C=CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1ccccc1 2463598 RCILNRDSPVBPFY-DOMZBBRYSA-N 342.420 3.064 30 40 EGEB C[C@@]12CC(=O)[C@@]3(F)[C@H](CCC4=CC(=O)CC[C@]43C)[C@H]1CCC(=O)O2 104014040 KZCAONRIBQAREG-PXHWLCEJSA-N 334.387 3.085 30 40 EGEB Cc1nnc(N(C)Cc2ccc(Br)s2)c(C#N)c1C 29379609 RJWGOTQDSNRTMF-UHFFFAOYSA-N 337.246 3.426 30 40 EGEB C#CCCCCCC(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 96001707 ZDBIDZPTGXJUFD-QGZVFWFLSA-N 328.412 3.326 30 40 EGEB CC(C)(C)c1csc([C@H]2CN(c3ncccc3C#N)CCO2)n1 65521597 SPIMQQDQFMLLKN-CYBMUJFWSA-N 328.441 3.285 30 40 EGEB COc1cccc([C@@H]2CC(=O)OC3=C2C(=O)c2ccccc2C3=O)c1 4751348 BIZQXCNLWNHYRB-HNNXBMFYSA-N 334.327 3.059 30 40 EGEB CCc1nc2c(s1)[C@H](N(C)C(=O)c1cc(C#N)cn1C)CCC2 96476075 IGBVWBLDDOOGSZ-CYBMUJFWSA-N 328.441 3.065 30 40 EGEB COCc1cccc(C(=O)Nc2ncccc2OCCCC#N)c1 69631871 FLMCZPQXMFHTNN-UHFFFAOYSA-N 325.368 3.163 30 40 EGEB N#Cc1ccc(N2CCO[C@@H](c3ccccc3Br)C2)nc1 72073140 XUOOLUNTCYFSAM-OAHLLOKOSA-N 344.212 3.294 30 40 EGEB CCOc1c(OC)cc(C#N)cc1C(=O)Nc1cccc(OC)c1 408581162 GYIJWNFMLRGHPA-UHFFFAOYSA-N 326.352 3.226 30 40 EGEB N#Cc1ccc(S(=O)(=O)/N=C(\O)C[C@@H]2CCc3ccccc32)cc1 96407055 AWQNDSXALGEOEK-HNNXBMFYSA-N 340.404 3.324 30 40 EGEB C=C(C)C[C@H](C)C(=O)Nc1ccc(N2N=C(C3CC3)CC2=O)nc1 585128015 PNTKXDNAZKKPOZ-LBPRGKRZSA-N 326.400 3.125 30 40 EGEB COC1(OC)CC2(CN(c3ccc([N+](=O)[O-])cc3C#N)[C@H]2C(C)C)C1 1615001896 HYYXDKZBEANOGG-INIZCTEOSA-N 345.399 3.080 30 40 EGEB N#Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2Cc2ccccc2)s1 619548434 LNCINWZXFMRLAH-OAHLLOKOSA-N 346.477 3.406 30 40 EGEB Cc1nnc(NC[C@@H](O)c2ccccc2C(F)(F)F)c(C#N)c1C 71832795 QOHZMVNIOJILLD-CQSZACIVSA-N 336.317 3.129 30 40 EGEB O=C1Nc2ccc(Br)cc2/C1=N\N=C\c1ccccc1 364380 WXZGHQNLTWHXQU-RQZCQDPDSA-N 328.169 3.224 30 40 EGEB CCCCc1nc(CSc2nc(C)c(C(C)=O)cc2C#N)no1 52889627 ISHSGAYLCBTGSK-UHFFFAOYSA-N 330.413 3.482 30 40 EGEB CCc1nc2ccccc2n1CC(=O)[C@H](C#N)c1nc2ccccc2[nH]1 41496367 VOPAZLMPSLWEOC-ZDUSSCGKSA-N 343.390 3.351 30 40 EGEB CCS(=O)(=O)Nc1ccc(C(=O)/C=C/c2ccccc2F)cc1 78495536 ULKMLNBVOQFXPX-FMIVXFBMSA-N 333.384 3.483 30 40 EGEB CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1cccc(C#N)c1 6314410 OFEZGDPUNVFJOR-UHFFFAOYSA-N 338.791 3.171 30 40 EGEB CSc1ccc([C@@H]2[C@@H](C#N)C(=O)Nc3nc4ccccc4n32)cc1 9262168 YAYHGPBEUJIUAZ-CZUORRHYSA-N 334.404 3.439 30 40 EGEB C=CCOC(=O)c1cnc2nc(-c3cccc(Cl)c3)nn2c1C 9926678 HPTXHKAZECOSMF-UHFFFAOYSA-N 328.759 3.096 30 40 EGEB CCN(CCC#N)Cn1nc(-c2ccc(Cl)cc2)n(C)c1=S 48290241 VNQIOSDGKRAJQT-UHFFFAOYSA-N 335.864 3.465 30 40 EGEB N#Cc1cccc(CN2CCN(C(=O)c3cccc(Cl)c3)CC2)c1 25363653 JMZXLOVMPPGBMK-UHFFFAOYSA-N 339.826 3.170 30 40 EGEB COc1cc([C@H](C)Nc2c(F)cc(C#N)cc2F)ccc1OCCO 58208798 ANXISKPSPGYTAZ-NSHDSACASA-N 348.349 3.389 30 40 EGEB COc1ccccc1-c1nc(C(=O)N(C)C2(C#N)CCC2)cs1 58853390 VOQALJFPGXLUDW-UHFFFAOYSA-N 327.409 3.337 30 40 EGEB C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccccc1 2480758 PKJBKUQPSJNQML-MRXNPFEDSA-N 342.420 3.066 30 40 EGEB N/C(=N/OC(=O)c1ccccc1)c1ncc(C(F)(F)F)cc1Cl 5515637 LYWMIBQQYREGDI-UHFFFAOYSA-N 343.692 3.231 30 40 EGEB COc1c(O)c(OC)c(C(=O)/C=C/c2ccccc2)c(O)c1OC 14640460 PPRMAMORBLMPSR-MDZDMXLPSA-N 330.336 3.020 30 40 EGEB biogenic,in-vitro N#Cc1ccccc1OCC(=O)n1cccc/c1=N\C1CCCCC1 14903731 PLTQIQSZBPZECL-ZBJSNUHESA-N 335.407 3.312 30 40 EGEB C[C@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2ccccc2C#N)C1=O 7005706 GBDNSBSDNPCNOF-GOSISDBHSA-N 339.782 3.179 30 40 EGEB CCOC(=O)c1csc([C@@H](C#N)C(=O)CCc2ccc(F)cc2)n1 67895978 RZIMQXYDRAIFQY-ZDUSSCGKSA-N 346.383 3.268 30 40 EGEB COc1cc(CNC(=O)c2cccc(C#N)c2)ccc1OC(F)F 8127434 MTFOYILGWNKYPL-UHFFFAOYSA-N 332.306 3.098 30 40 EGEB C[C@@H]1CN(C(=O)CCCCOc2cccc(C#N)c2)CC(C)(C)O1 71896091 LXRQWIQHMKFEDJ-OAHLLOKOSA-N 330.428 3.133 30 40 EGEB CCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1ccc(F)cc1C#N 69668082 ZTNOAAHURNCKGY-ZWKOTPCHSA-N 329.419 3.063 30 40 EGEB N#Cc1cnc2ccc(Cl)cc2c1NCC(=O)NCc1ccco1 76041903 VFMSZEUIPJMJFV-UHFFFAOYSA-N 340.770 3.081 30 40 EGEB COc1ccc(OC)c(C2=C/C(=N/Nc3cccc(C)c3)C(=O)O2)c1 408726866 WBJNWOCSGUWBHL-PGMHBOJBSA-N 338.363 3.378 30 40 EGEB N#Cc1c(Cl)nsc1N[C@H](CO)Cc1c[nH]c2ccccc12 78666676 WSLPGOIKAFHHOP-JTQLQIEISA-N 332.816 3.165 30 40 EGEB CC(C)c1ccc(C(=O)N2CCN(C[C@H](C#N)CCC#N)CC2)cc1 40497399 CLGOMIQTPUGTFY-KRWDZBQOSA-N 338.455 3.011 30 40 EGEB CCOc1ccc(N2C(=O)C[N+]([O-])=Cc3[nH]c4ccccc4c32)cc1 4689391 VBAROBPYFQUJSD-UHFFFAOYSA-N 335.363 3.174 30 40 EGEB N#Cc1c(Cl)nsc1N1CCCN(Cc2cccs2)CC1 52005960 BFCPZPAINWQZRQ-UHFFFAOYSA-N 338.889 3.442 30 40 EGEB N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccccn1 101495452 JXSMKRHQJPCNJI-LBPRGKRZSA-N 334.162 3.350 30 40 EGEB COc1ccc([C@@H]2C3=C(O)CCCC3=Nc3c(C#N)cnn32)cc1O 102841666 ROZKVZNRMQTWLS-QGZVFWFLSA-N 336.351 3.140 30 40 EGEB C=CCOc1ccc(CN(C)CC(=O)Nc2ccccc2OC)cc1 8037732 LTZZYDIVWAMMOE-UHFFFAOYSA-N 340.423 3.331 30 40 EGEB O=COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103542383 ZXEHAXUQMNMYNP-UHFFFAOYSA-N 328.077 3.263 30 40 EGEB C[C@H](c1ccc(F)cc1)N1CCN(c2oc(C3CC3)nc2C#N)CC1 29226712 OTIUQEYEUDJICP-CYBMUJFWSA-N 340.402 3.446 30 40 EGEB CC(C)Oc1ccc(/C=N/CC[C@]2(O)C[C@@H](C)N(C)C[C@@H]2C)cc1 13774709 CLJGDQRPOPPOBX-IGBVKEFNSA-N 332.488 3.374 30 40 EGEB Brc1ccc(/C=N/Nc2nncc(-c3ccccc3)n2)o1 4302907 GMJUORZCJSMZIR-LZYBPNLTSA-N 344.172 3.340 30 40 EGEB CC(=O)COc1ccc2c(c1)O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 5399089 BREFAQXXUNCKAF-IUXPMGMMSA-N 339.303 3.179 30 40 EGEB COc1cc(OC)nc(NN=C(c2ccccc2)c2ccccc2)n1 4667622 TXJCFHUWPKKBNS-UHFFFAOYSA-N 334.379 3.358 30 40 EGEB C=CCn1c(SC[C@@H]2CCCO2)nc2sc3c(c2c1=O)CCC3 7084768 UCYDRZZEADAQEN-NSHDSACASA-N 348.493 3.404 30 40 EGEB Cc1oc(NC(=O)[C@@H](C)N(C)Cc2ccc(Cl)nc2)c(C#N)c1C 80910628 OASZSJRGFIAEHS-LLVKDONJSA-N 346.818 3.276 30 40 EGEB CCCCCCCCCCCNC(=O)[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)O 97941853 ZTMVRTJMXOQSMD-TWMKSMIVSA-N 337.460 3.288 30 40 EGEB N#Cc1cccc(C(=O)N2CC[C@@]3(CCCN(c4ccccn4)C3)C2)c1 96216754 GMVYEUOGPNMNSS-OAQYLSRUSA-N 346.434 3.086 30 40 EGEB CC[C@@H](CC#N)NCc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1 585086322 ZDXRMXWUBDSFJH-LBPRGKRZSA-N 336.436 3.216 30 40 EGEB N#Cc1cc2c(nc1N1CC3(CC(c4ccccc4)C3)C1)CCOC2 1776000907 PNVJNYMLLGCBBB-UHFFFAOYSA-N 331.419 3.410 30 40 EGEB Cc1nc2sc3c(c2c(=O)n1/N=C/c1ccc(O)cc1)CCCC3 354840 AHVGAMFWFADCFY-VXLYETTFSA-N 339.420 3.233 30 40 EGEB CCOC(=O)[C@@H](C#N)[C@]1(Cc2ccccc2)C[C@@H](C)N(C)C[C@@H]1C 13509771 ISTLFIQBNBWVQL-QXOCSCLMSA-N 328.456 3.278 30 40 EGEB CO/C(=N/C(=N/S(=O)(=O)c1ccccc1)c1ccccc1)SC 103748548 AIZYONHKCAFZQF-YQFKSOGVSA-N 348.449 3.188 30 40 EGEB COc1cc(CCC(=O)OCc2ccc(C#N)cc2)cc(OC)c1 7271545 DKHJZVAMGUXAAT-UHFFFAOYSA-N 325.364 3.251 30 40 EGEB CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)ccc1O 7745406 DERFTXIZIXSRKD-ZZXKWVIFSA-N 326.348 3.458 30 40 EGEB CCN(Cc1ccccc1)c1ccc(/C=N/N2CCN(C)CC2)cc1 3225281 WTVVACKAONFHBF-OQKWZONESA-N 336.483 3.294 30 40 EGEB C=CCOc1cccc(NC(=O)N2CCN(c3ccccn3)CC2)c1 56772140 DYVVTHSRVTZBPX-UHFFFAOYSA-N 338.411 3.001 30 40 EGEB Cc1c(CNCc2nn(-c3ccccc3)c3c2CCC3)cc(C#N)n1C 48234570 ZCVAXKMBWYYHOR-UHFFFAOYSA-N 345.450 3.169 30 40 EGEB COc1ccc([N+](=O)[O-])cc1/C=N/NC(=S)c1ccc(C)cc1 59431952 XFRCGDSMBPYPCX-LICLKQGHSA-N 329.381 3.211 30 40 EGEB CC1(C)Cc2c(C#N)c(NCCO)nc(-c3ccco3)c2CS1 13757328 DQQPZNOOMDBNRI-UHFFFAOYSA-N 329.425 3.185 30 40 EGEB N#Cc1cc(C(=O)Nc2ccc(C(N)=O)c(Cl)c2)ccc1Cl 95462473 UYZJOAPZIHDNSI-UHFFFAOYSA-N 334.162 3.216 30 40 EGEB COC(=O)c1cccc(/N=C\c2ccc(O[C@@H](C)C(=O)O)cc2)c1 408846912 KOPXPQNAFKMRSS-XHEYCZLTSA-N 327.336 3.076 30 40 EGEB CCN(Cc1nnc(-c2ccccc2Br)o1)C[C@@H](C)C#N 71828202 LAQMRBXFWNEYBN-NSHDSACASA-N 349.232 3.481 30 40 EGEB C=C(Br)CN(Cc1cccc(O)c1)C1CCC(O)CC1 71915029 PCNZTQGEQUVCDE-UHFFFAOYSA-N 340.261 3.406 30 40 EGEB C=CCCC(=O)N[C@H](CC(=O)O)c1ccc(Br)cc1 97017845 JGUNNZSRGVHPRA-GFCCVEGCSA-N 326.190 3.047 30 40 EGEB C#CCOc1ccccc1CNC(=O)N[C@@H](C)c1cc(C)oc1C 72285320 ZTGGEYZNYZXSLR-AWEZNQCLSA-N 326.396 3.469 30 40 EGEB C=CCOc1ccc(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 20043755 IZVOUIOUSPWMKC-UHFFFAOYSA-N 348.380 3.102 30 40 EGEB Cc1cc(S(=O)(=O)/N=C(\O)[C@H]2C[C@H]2C)sc1Br 84852185 NNZGEAXYJAQPCL-VDTYLAMSSA-N 338.248 3.120 30 40 EGEB CC(C)[C@H](NC(=O)NCc1cc(C#N)ccc1F)c1ccccn1 96440634 ZXFMQQMMJDPTCF-KRWDZBQOSA-N 326.375 3.289 30 40 EGEB CC(C)(C)OC(=O)[C@@H]1C[C@H]2CC[C@H]1N2C(=O)Nc1ccc(C#N)cc1 1615571103 FMBSVAYQQSERCM-BZUAXINKSA-N 341.411 3.285 30 40 EGEB C=CCN1C(=O)c2ccc(C(=O)O[C@H](C)c3ccccc3)cc2C1=O 5569416 ICVZRLORPWGJLG-CYBMUJFWSA-N 335.359 3.387 30 40 EGEB COc1ccc(-c2cc(-c3ccc4c(c3)OCO4)c(C#N)c(=O)[nH]2)cc1 5634369 SCNLBUCZGJYXFK-UHFFFAOYSA-N 346.342 3.318 30 40 EGEB CC/C(=N/NS(=O)(=O)c1ccc(C)cc1)c1ccc(OC)c(C)c1 5640224 MLHKTFSGUSTYAI-ZPHPHTNESA-N 346.452 3.405 30 40 EGEB COc1cc2c(cc1Cl)NC(=O)/C2=N\Nc1ccccc1[N+](=O)[O-] 17431053 BPEZWQFODSFRRP-UHFFFAOYSA-N 346.730 3.025 30 40 EGEB N#Cc1ccccc1NC(=O)c1cccn(Cc2ccc(F)cc2)c1=O 5268962 WVOVNNISIILGFM-UHFFFAOYSA-N 347.349 3.160 30 40 EGEB COc1cc(C(=O)Nc2ccc(/C(C)=N\O)cc2)cc(OC)c1OC 100669734 HVUBBUCBARPIJM-JAIQZWGSSA-N 344.367 3.163 30 40 EGEB C[C@H]1C[C@H](C)CN(Cc2ccc(CNC(=O)CSCC#N)cc2)C1 40541074 JFANLMXYYOTHGO-HOTGVXAUSA-N 345.512 3.037 30 40 EGEB Cn1c(-c2cccc([N+](=O)[O-])c2)cnc1NCc1ccc(C#N)cc1 819095 XOPQXGFYNAZYOE-UHFFFAOYSA-N 333.351 3.479 30 40 EGEB CSc1cccc(NC(=O)COC(=O)c2ccc(C#N)cc2F)c1 8169643 BIIFZAMJIKAWHU-UHFFFAOYSA-N 344.367 3.215 30 40 EGEB C=C(C)CN(CC)C(=O)CSc1nnc2sc3ccccc3n12 9366205 WWHJJTVEBKHEAY-UHFFFAOYSA-N 346.481 3.461 30 40 EGEB COc1ccccc1/C=C/CNC1CCN(c2ccc(C#N)cn2)CC1 67010959 AAAGFYHAGWYBGI-GQCTYLIASA-N 348.450 3.234 30 40 EGEB C=C(C)Cn1c(SCC2CCOCC2)nnc1-c1ccncc1 95420993 PFFWWQRQKLQFBU-UHFFFAOYSA-N 330.457 3.435 30 40 EGEB CSc1nc(NCCN(C)C)c(C#N)c(-c2ccc(Cl)cc2)n1 19820500 PWBQMZAQWYYDCJ-UHFFFAOYSA-N 347.875 3.364 30 40 EGEB C#CCN(Cc1cccc(C)n1)C(=O)c1c(C)c2ccccc2oc1=O 96456338 NNAPYZOJPNKFAD-UHFFFAOYSA-N 346.386 3.080 30 40 EGEB Cc1ccc(CC/C(O)=N/S(=O)(=O)Cc2ccc(Cl)nc2)o1 80286066 MEIWWBOGFPGTMF-UHFFFAOYSA-N 342.804 3.056 30 40 EGEB N#CC1(NC(=O)c2cnc(Cc3ccc(F)cc3)s2)CCCC1 69513036 IZQAFQUKKMKYAI-UHFFFAOYSA-N 329.400 3.439 30 40 EGEB COC[C@]1(C#N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1 218045139 RUEZDNIUIFOANR-FHWLQOOXSA-N 341.432 3.091 30 40 EGEB CCOC(=O)[C@H](C#N)[C@@]1(Cc2ccccc2)C[C@@H](C)N(C)C[C@@H]1C 13509768 ISTLFIQBNBWVQL-WBQJQJEBSA-N 328.456 3.278 30 40 EGEB O=C1CSC(=S)N1/N=C/c1ccc(OCc2ccccc2)cc1 1714154 JZKSQTXJCLRGPV-VCHYOVAHSA-N 342.445 3.460 30 40 EGEB CN/C(=N\Cc1ccc(-c2nc3ccccc3s2)o1)NC1CC1 103337895 XWSGWXNDPVTADQ-UHFFFAOYSA-N 326.425 3.384 30 40 EGEB CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccccc1C#N 8168106 QXFDWWNSRWFANV-UHFFFAOYSA-N 340.857 3.484 30 40 EGEB Cn1c(-c2ccccc2)nnc1[C@H](C#N)C(=O)CCc1ccccc1F 58170993 NKOBBJFEUPVZIR-MRXNPFEDSA-N 348.381 3.430 30 40 EGEB COc1cccc([C@@H]2CCCN2S(=O)(=O)c2cccc(C#N)c2)c1 12768196 TUNWZJYDGPGDKJ-SFHVURJKSA-N 342.420 3.093 30 40 EGEB COc1cc(/C=C2\Oc3c(ccc(O)c3C)C2=O)cc(OC)c1OC 12877489 PVQQXAIZQYVNCS-AUWJEWJLSA-N 342.347 3.343 30 40 EGEB biogenic N#Cc1ccccc1CN1CCN(C(=O)c2cccc(Cl)c2)CC1 25360039 RHCRORIWINJCCF-UHFFFAOYSA-N 339.826 3.170 30 40 EGEB Cc1ccc(-c2nnc(S)n2/N=C/c2ccccc2C(=O)O)cc1 5030692 GPWBNBQYWSKDHT-VCHYOVAHSA-N 338.392 3.123 30 40 EGEB C[C@H](NC(=O)c1occc1COc1cccc(C#N)c1)[C@H]1CCCO1 65564419 DXVHQTIZPBGDSZ-SUMWQHHRSA-N 340.379 3.028 30 40 EGEB COc1cccc([C@H]2CCCN2S(=O)(=O)c2ccc(C#N)cc2)c1 14100218 CBQLBYMPKAVXIM-GOSISDBHSA-N 342.420 3.093 30 40 EGEB C[C@@](C#N)(NC(=O)CNc1cccc(CC(F)(F)F)c1)C1CC1 96427593 WLEDKAKZAWELOC-HNNXBMFYSA-N 325.334 3.012 30 40 EGEB C=CCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N(CC=C)CC=C 4933494 HNAJQBAMZPKEEZ-OAHLLOKOSA-N 348.406 3.145 30 40 EGEB N#Cc1ccc(NC(=O)COC(=O)Cc2cccc3ccccc23)cc1 7698969 GSOSEQRVMJBSAG-UHFFFAOYSA-N 344.370 3.436 30 40 EGEB C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[C@@]1(C#N)CCSC1 71915476 FWRJUMSLSWFSGI-XHDPSFHLSA-N 342.386 3.399 30 40 EGEB N#Cc1ccc([S@@](=O)Cc2nc(-c3ccco3)no2)c(Cl)c1 97166271 FKUOPJVNORCDMF-JOCHJYFZSA-N 333.756 3.162 30 40 EGEB C#CCOC(=O)/C=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 216896319 KIRVBZOVBPKYCY-DHZHZOJOSA-N 337.331 3.363 30 40 EGEB Cc1nc(C)c(S(=O)(=O)/N=C(\O)[C@H](C)Cc2cccs2)s1 83150645 LIAWZWKBLFFNJG-MRVPVSSYSA-N 344.483 3.345 30 40 EGEB Cc1nn(CC(C)C)c(C)c1S(=O)(=O)/N=C(\O)C[C@H]1C=CCC1 96502371 MOOCKWKONRGHIQ-AWEZNQCLSA-N 339.461 3.157 30 40 EGEB CN(CC#CCNC(=O)Cc1ccccc1Cl)Cc1ccccc1 85470630 FIPFMGCVOVOZBK-UHFFFAOYSA-N 340.854 3.134 30 40 EGEB C[C@H]1CN(c2nc3ccccc3nc2NCC(C)(C)C#N)C[C@H](C)O1 611617909 PQJAJWFKLPKRDM-KBPBESRZSA-N 339.443 3.205 30 40 EGEB C[C@@H](NC(=O)NCc1cccc(C#N)c1)c1ccc(-n2cccn2)cc1 76085502 WMNSZRXHFPZWNB-OAHLLOKOSA-N 345.406 3.304 30 40 EGEB CN(C)c1cccc(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c1 104918249 IPZZMLFZWMYECU-UHFFFAOYSA-N 349.434 3.308 30 40 EGEB COc1cc(OC)c(OC)cc1/C=N/Nc1nc2ccccc2[nH]1 5070835 CCVUKAHKCIVZHK-VCHYOVAHSA-N 326.356 3.035 30 40 EGEB CCOc1ccccc1[C@@H]1C2=C(C[C@@H](C)CC2=O)Nc2nc(C)nn21 14608149 BWNFTXAUAASZKS-ADLMAVQZSA-N 338.411 3.253 30 40 EGEB COc1ccc(/C=C2\Oc3c(cc(CN(C)C)c(O)c3C)C2=O)cc1 20759720 CTPNAINTXXXPGL-MFOYZWKCSA-N 339.391 3.387 30 40 EGEB biogenic CNc1oc(-c2ccc(COc3ccc(OC)cc3)o2)nc1C#N 12418935 GGZCMQLPPUXHJI-UHFFFAOYSA-N 325.324 3.436 30 40 EGEB COc1ccc(/C=C/C(=O)C2CC2)cc1Cn1nnc2ccccc21 508187 HZANMKPLXFVBHW-UXBLZVDNSA-N 333.391 3.481 30 40 EGEB C[C@H]1CCCCN1C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@H]12 4028476 IHANHCGTYJEQAK-PZVKIFLGSA-N 347.499 3.388 30 40 EGEB COC(=O)COc1ccc(/C=C/C(=O)c2ccc(OC)cc2)cc1 7939542 MMSHLKGNHGYBCE-LFYBBSHMSA-N 326.348 3.143 30 40 EGEB Cc1nnc(NCCc2coc(-c3ccc(F)cc3)n2)c(C#N)c1C 58315498 XJOGVROSFMUYES-UHFFFAOYSA-N 337.358 3.414 30 40 EGEB C[C@@H](Nc1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccc(C#N)cc1 10770562 LNWIUFUNUWVTRA-CYBMUJFWSA-N 348.406 3.346 30 40 EGEB O=C1CS/C(=N/c2ccc(F)cc2)N1Cc1ccc2c(c1)OCO2 36611299 NERWIQLSOKHASI-HTXNQAPBSA-N 344.367 3.318 30 40 EGEB COCc1cc(C)nc(SCC(=O)Nc2ccc(C)cc2)c1C#N 59639601 HNCMGVPXBXLXGO-UHFFFAOYSA-N 341.436 3.447 30 40 EGEB C[C@H](Sc1ccc2c(c1)OCCO2)C(=O)Nc1ccccc1C#N 3489502 OMFHDJQUAOABLC-LBPRGKRZSA-N 340.404 3.449 30 40 EGEB C=CCN1C(=O)/C(=C/c2cccc(OC)c2OCC)SC1=S 409346427 KNGNMVDJEXSSBZ-RAXLEYEMSA-N 335.450 3.481 30 40 EGEB C=C(C)CN1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 72268204 GFIWBOQBGVXRKM-LSDHHAIUSA-N 347.425 3.447 30 40 EGEB C=CC[C@H](NC(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1)c1ccncc1 72285361 PIHDGFGZNRFZFP-IRXDYDNUSA-N 343.471 3.100 30 40 EGEB N#CCCSc1ccccc1NC(=O)CCNC(=O)c1ccco1 95953537 LDOCONSOVOHFQD-UHFFFAOYSA-N 343.408 3.044 30 40 EGEB CN(C)C(=O)c1cccc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)c1 89312114 ZXKRKZQHIIJECN-CQSZACIVSA-N 349.415 3.488 30 40 EGEB C[C@@H]1C[C@H]1[C@H](NS(=O)(=O)CCCC#N)c1ccc(Cl)cc1 96428566 FMHNQUUBOSAELJ-KCPJHIHWSA-N 326.849 3.260 30 40 EGEB CC[C@@](C)(C#N)C(=O)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 590914732 XRNLBTVSEYPHQT-OCCSQVGLSA-N 332.366 3.134 30 40 EGEB Cn1cc(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)cn1 77551850 CRGQAFUVKOEBCP-UHFFFAOYSA-N 328.441 3.193 30 40 EGEB Cc1ccc(-n2nnnc2/C(=C/N(C)C)C(=O)c2ccccc2C)cc1 5417116 PEQQSQBNJCKVEW-QGOAFFKASA-N 347.422 3.065 30 40 EGEB CCN1CCN(C[C@@H](S)CO[C@H]2C[C@H](C)CC(C)(C)C2)CC1 22872262 MHXZIESENXBTBB-YESZJQIVSA-N 328.566 3.154 30 40 EGEB COc1ccc(CC(=O)Nc2sc3c(c2C#N)CCC3)cc1F 61198090 JSHMCASZDKUHRS-UHFFFAOYSA-N 330.384 3.437 30 40 EGEB COc1cccc(C(=O)/C=C(\C)NCc2ccc3c(c2)OCO3)c1 110446515 IQFHORHKSKQUFA-MDWZMJQESA-N 325.364 3.300 30 40 EGEB C=CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1cnccn1 6317563 HENPQDKSUPVSKW-UHFFFAOYSA-N 349.423 3.090 30 40 EGEB CC(=O)c1ccc(S(=O)(=O)N(CCC#N)c2ccc(C)cc2)cc1 65513344 LDSAYJGURLVUQK-UHFFFAOYSA-N 342.420 3.307 30 40 EGEB CC(C)(C)c1ccc(OCC(=O)O/N=C(\N)c2ccccc2)cc1 4898442 JZCRYVTYDPZKNO-UHFFFAOYSA-N 326.396 3.227 30 40 EGEB Cc1cc(N)nc(S[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)n1 7177500 YARYWGCFCAZBBE-VIFPVBQESA-N 347.831 3.012 30 40 EGEB COc1cc(O)ccc1-c1c(C#N)c(N)nc2c1CCc1[nH]ccc1-2 71755303 WKUAKXZHSBBAKC-UHFFFAOYSA-N 332.363 3.010 30 40 EGEB N#Cc1cccc(CNC(=O)Nc2ccc(O[C@H]3CCOC3)cc2)c1 160155590 PSXYCLJAJWZILB-SFHVURJKSA-N 337.379 3.048 30 40 EGEB COc1ccc(/C=C(\C(C)=O)C(=O)Nc2ccccc2)cc1OC 5480804 NWVDFQAAZPDIQO-LFIBNONCSA-N 325.364 3.315 30 40 EGEB COc1ccc(CN2C(=O)CS/C2=N/N=C/c2cccs2)cc1 2324316 CMCDKTVQCJHNCD-APBNWAIRSA-N 345.449 3.222 30 40 EGEB C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1CCCN(C)C1 52591737 JCEZBAANQMIDED-GFCCVEGCSA-N 327.881 3.193 30 40 EGEB CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)/C=C/c1ccccc1Cl 22112368 MFHSOXZZEJEZKX-RUIZXSTKSA-N 348.830 3.339 30 40 EGEB C=C(C)C(=O)Oc1cccc(N2C(=O)[C@H]3CC=C(C)C[C@H]3C2=O)c1 100496729 GRNRHXJUPQDZDB-JKSUJKDBSA-N 325.364 3.014 30 40 EGEB N#CCc1ccc(NC(=O)CSc2ccccc2C(=O)O)cc1 12937353 HCJXLABPHBXUAQ-UHFFFAOYSA-N 326.377 3.182 30 40 EGEB CCOc1cc(/C=N/n2c(S)nnc2-c2cccs2)ccc1O 28380084 XALYDZZMZQGIHB-CXUHLZMHSA-N 346.437 3.282 30 40 EGEB CC1(C)Cc2c(C#N)c(SCCC#N)nc(N3CCCC3)c2CO1 13773651 PLJUSUPJVTXJBK-UHFFFAOYSA-N 342.468 3.411 30 40 EGEB N#Cc1cccc(CN2CCC=C(CNC(=O)c3cccs3)C2)c1 65396707 UHGNPLIXRLQWLF-UHFFFAOYSA-N 337.448 3.182 30 40 EGEB COc1cc2c(cc1OC)C(=O)/C(=C\c1sc(N(C)C)nc1C)C2 95472243 ABUYWFQPHSGGMK-WQLSENKSSA-N 344.436 3.357 30 40 EGEB C=C(C)COc1cccc(NC(=O)N[C@@H](C)C(=O)NC(C)(C)C)c1 67318769 IOVOGGHZAAXWLG-ZDUSSCGKSA-N 333.432 3.066 30 40 EGEB C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[C@]1(C#N)CCSC1 71915475 FWRJUMSLSWFSGI-ABAIWWIYSA-N 342.386 3.399 30 40 EGEB N#Cc1ccc(N2CCC[C@H]2c2nnc3n2CCCCC3)c(F)c1 69569524 RMPKZFHERKOPIR-INIZCTEOSA-N 325.391 3.357 30 40 EGEB C#CCOc1cccc([C@H](C)NC(=O)Cc2noc3ccccc23)c1 69774497 LSKZHSAPCMCXGC-AWEZNQCLSA-N 334.375 3.260 30 40 EGEB C[C@H]1CN([C@@H](CNCC(C)(C)CCC#N)c2cccs2)CCO1 72298328 LJMSPMVVDTWZSA-HOTGVXAUSA-N 335.517 3.429 30 40 EGEB C=CCN/C(N)=N/Cc1ccccc1-c1ccc(Cn2ccnc2)cc1 72271130 KLBLURXUMPKEIM-UHFFFAOYSA-N 345.450 3.189 30 40 EGEB Cc1nc(S[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)oc1C 95994654 JONLUONRCKZFPS-HNNXBMFYSA-N 327.409 3.451 30 40 EGEB CC1=CC(=O)[C@H](C(=O)/C=C/c2ccc(-c3ccc(F)cc3)o2)C(=O)O1 24083556 UEWASJLWBIUKFZ-IWHGQQBYSA-N 340.306 3.314 30 40 EGEB C=CCn1cc(C=Nn2c(O)nc3ccccc3c2=O)c2ccccc21 409360565 AZFLZILAFYOFTQ-UHFFFAOYSA-N 344.374 3.125 30 40 EGEB O=C(Cc1c2ccccc2cc2ccccc12)ON1C(=O)CCC1=O 77271705 LOHPSCVBJVUCMN-UHFFFAOYSA-N 333.343 3.143 30 40 EGEB in-vitro C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)Nc1cnccc1C#N 225599379 GZSNVOIVXKGHBM-HNNXBMFYSA-N 349.438 3.383 30 40 EGEB COc1cc(OC)c(OC)cc1/C=N\Nc1ccc([N+](=O)[O-])cc1 138142666 QZWBZYGZPLTEGX-YVLHZVERSA-N 331.328 3.067 30 40 EGEB COc1cc(C)c(NC(=O)[C@@](C)(C#N)c2ccc(Cl)cc2)cn1 225961269 KMKUQKGZCYPIBE-KRWDZBQOSA-N 329.787 3.472 30 40 EGEB C[C@H](/C(O)=N/S(=O)(=O)c1ccc(Cl)cn1)c1cccs1 96416183 NHSNDUZTKHITCK-QMMMGPOBSA-N 330.818 3.245 30 40 EGEB Cc1cc(C)cc([C@@H](O)C/N=C(/O)Nc2ccc3c(c2)COC3)c1 330032778 RSGLKFNILHTVFC-SFHVURJKSA-N 326.396 3.393 30 40 EGEB N#Cc1ccc(Cl)cc1NS(=O)(=O)Cc1noc2ccccc12 96124216 VQQXWXJULSDOQW-UHFFFAOYSA-N 347.783 3.295 30 40 EGEB N#Cc1nc(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)[nH]c1C#N 95393137 BIYSYZAPOCSBBP-UWVGGRQHSA-N 346.177 3.202 30 40 EGEB N#Cc1c(=O)c2nc3ccccc3nc2n2c1sc1ccccc12 3192106 ZCCQMCSXYLFTHT-UHFFFAOYSA-N 328.356 3.482 30 40 EGEB Cc1ccc(-n2c(C)cc(C(=O)Cn3cnc(C#N)n3)c2C)cc1C 12639062 JSBNDNAYNLPABS-UHFFFAOYSA-N 333.395 3.057 30 40 EGEB N#Cc1cc(N2CCC(COc3ncccn3)CC2)nc2ccccc12 1889186737 XMHXWLCGLUOJPG-UHFFFAOYSA-N 345.406 3.192 30 40 EGEB COC(=O)C1=C(Nc2ccccc2)S/C(=C/c2cccnc2)C1=O 473026 LSSYBFGSQFNPAU-GXDHUFHOSA-N 338.388 3.235 30 40 EGEB CN(Cc1ccccn1)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 95394847 RRQGYNPFWOESBS-UHFFFAOYSA-N 344.374 3.413 30 40 EGEB CCN(CC)c1ccc(/N=C2/C[C@H](C(N)=O)C(=O)c3ccccc32)cc1 100998469 ZSJITOYWEZBMKI-YBAYSFDISA-N 349.434 3.342 30 40 EGEB C=CCNC(=O)[C@H](C)Sc1nnc(-c2cccs2)n1C1CC1 8255873 LRNKBONKASLHHA-JTQLQIEISA-N 334.470 3.124 30 40 EGEB COc1cc(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)ccc1O 8322716 YJYXUHISYCFAFJ-FNORWQNLSA-N 344.363 3.323 30 40 EGEB CN1C(=O)c2ccccc2[C@H](/C(O)=N/c2ncn[nH]2)[C@@H]1c1ccccc1 95474271 JUPHXOAVMVZLAO-HOTGVXAUSA-N 347.378 3.003 30 40 EGEB N#Cc1ccc(SCCn2cc([N+](=O)[O-])ccc2=O)c(Cl)c1 95977065 RTHLIIVQQKOGGP-UHFFFAOYSA-N 335.772 3.074 30 40 EGEB O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(O)c(O)c1 33289392 QMJSXHGAAZRGQP-RIYZIHGNSA-N 330.340 3.129 30 40 EGEB CCCCCc1c(N)cc(C#N)n1CC(=O)Nc1ccccc1F 225860095 SRGVMOSBISRRCR-UHFFFAOYSA-N 328.391 3.452 30 40 EGEB N/C(=N\O)c1cccn1C(=O)OCC1c2ccccc2-c2ccccc21 98072713 CCFUUXRNTRBRQG-UHFFFAOYSA-N 347.374 3.380 30 40 EGEB C=CCOc1cc2c(=O)c(C(=O)OCC)cn(C3CC3)c2cc1F 255189791 SBPPOMWWSAXURA-UHFFFAOYSA-N 331.343 3.217 30 40 EGEB COCc1ccc(NC(=O)N2Cc3ccc(OC)cc3C2)cc1C#N 585123693 JYFNVMZAIFMPAM-UHFFFAOYSA-N 337.379 3.261 30 40 EGEB N#Cc1cccc(S(=O)(=O)/N=C(\O)C2(c3ccccc3)CCC2)c1 48600966 CYRLXIKHFZRGAB-UHFFFAOYSA-N 340.404 3.325 30 40 EGEB O=S(=O)(/N=C(\O)Cc1c[nH]c2ccccc12)c1ccc(Cl)cn1 75610600 PTCBCRSDMRFLNV-UHFFFAOYSA-N 349.799 3.104 30 40 EGEB CCO[C@@H]1Oc2ccc(C)cc2C(=O)/C1=C/Nc1nnc(S)s1 5953360 LLFCSMPTMLNMEO-PGJNLMOESA-N 349.437 3.069 30 40 EGEB C[C@](O)(C#C[C@@](O)(c1ccccc1)C(F)(F)F)c1cccc(F)c1 4334547 HHUJOCNZCDDYGB-DLBZAZTESA-N 338.300 3.487 30 40 EGEB Cc1nc(N2CCN(Cc3ccc(C#N)cc3)CC2)cc(C(C)(C)C)n1 1888854174 FHHDPFTZVLVCOM-UHFFFAOYSA-N 349.482 3.276 30 40 EGEB CC/N=C1\S[C@@H](CC(=O)Nc2ccc(Cl)cc2)C(=O)N1CC 100918827 LDWJLKZUBFBIGU-JTFSYWPOSA-N 339.848 3.008 30 40 EGEB N#CCC[C@@H](C#N)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 32514434 HLENHQQPESXTDA-AWEZNQCLSA-N 336.361 3.271 30 40 EGEB N#Cc1ccc(CNC(=O)N(C[C@@H]2CCCO2)C2CCCC2)c(F)c1 95408168 IKUXTAXBGOIWIH-KRWDZBQOSA-N 345.418 3.331 30 40 EGEB CN(CCC#N)C(=O)COC(=O)C1(c2ccc(Cl)cc2)CCCC1 2643240 CCTFFVDCROPXFY-UHFFFAOYSA-N 348.830 3.067 30 40 EGEB CC(C)(C)OC(=O)N1CCC(NC(=O)Nc2ccccc2C#N)CC1 67801116 WMSATGNAUMRMJI-UHFFFAOYSA-N 344.415 3.079 30 40 EGEB N#CCc1cccc(C(=O)NCCc2nc(-c3ccccn3)cs2)c1 71896288 GSYLLJWALATBJP-UHFFFAOYSA-N 348.431 3.244 30 40 EGEB N#Cc1ccc(F)c(CN2CCC[C@H](c3noc(C4CC4)n3)C2)c1 72299928 YBJFYGLAUKLPGF-AWEZNQCLSA-N 326.375 3.337 30 40 EGEB N#CCCn1ccc(NC(=O)N[C@@H](C2CCCC2)C(F)(F)F)n1 97135449 WWJCVYKKMQLRRA-LBPRGKRZSA-N 329.326 3.039 30 40 EGEB CNC(=O)c1cccc(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c1 72499180 GZPLKBXCBBTXSK-UHFFFAOYSA-N 347.296 3.189 30 40 EGEB C[C@@H]1Cc2cccc3c(=O)c(C(=O)Nc4ccc(CC#N)cc4)cn1c23 226093867 HIJNNFHJOVUCPZ-CYBMUJFWSA-N 343.386 3.437 30 40 EGEB C#CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccncc3)c2C)C1=O 409049822 XTTHTHMBNGDLOE-LFIBNONCSA-N 337.404 3.159 30 40 EGEB CN1CC[C@H](Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1=O 96437316 JVGSXCVBPYRHBV-HNNXBMFYSA-N 325.343 3.132 30 40 EGEB CNc1ccc(/C=C2/COc3ccc(OC)cc3C2=O)cc1[N+](=O)[O-] 98004436 CUUSKXMUGFZDNM-GHXNOFRVSA-N 340.335 3.304 30 40 EGEB COc1cc(OC)c2ncc(C#N)c(S[C@@H]3CCO[C@H]3C)c2c1 252483324 DZABMKMVMVAUQE-ZUZCIYMTSA-N 330.409 3.393 30 40 EGEB CC(=O)O/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccc(C)cc21 1397223 LDSNMTMLMSBCKX-JZJYNLBNSA-N 342.782 3.462 30 40 EGEB Cc1ccc(Cl)cc1N1CC(=O)C(c2nc3ccccc3[nH]2)=C1N 5009264 WFRABNLNMCDNCT-UHFFFAOYSA-N 338.798 3.241 30 40 EGEB O=C1C=C/C(=N/S(=O)(=O)c2ccc(Cl)cc2)c2ccccc21 100999380 YMBSGIVUXBFWET-SDXDJHTJSA-N 331.780 3.271 30 40 EGEB N#Cc1ccc(Oc2ccc(NC(=O)N3CCSCC3)cn2)cc1 40540933 YNPHRKFYSMABBN-UHFFFAOYSA-N 340.408 3.326 30 40 EGEB Cc1ccc([C@@H](O)CNC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1 41467448 LPNYUXFSJOULHG-KRWDZBQOSA-N 349.390 3.022 30 40 EGEB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N(CC#N)CC#N 196265 ZBBWBNVKMTZZRQ-UHFFFAOYSA-N 349.177 3.446 30 40 EGEB C[C@@]1([N+](=O)[O-])C(=O)[C@@]2(N3CCCC3)CCC[C@H]2[C@@H]1c1ccccc1 1608393 KSSSPCFEKYTAQE-PBWTXFEYSA-N 328.412 3.023 30 40 EGEB CCOc1ccc(S(=O)(=O)N[C@H](C#N)C(C)(C)C)c2ccccc12 79104462 KQRPFXFVSGHQSZ-QGZVFWFLSA-N 346.452 3.455 30 40 EGEB CC(=O)c1ccc(-n2c(N)c(C#N)c3nc4ccccc4nc32)cc1 3220618 ANRVVXXWJVBPEB-UHFFFAOYSA-N 327.347 3.230 30 40 EGEB O=C(/C=C1\NCCc2cc3c(cc21)OCO3)C[C@@H]1C[C@H]2CC[C@H]1C2 105382723 CBAXMSGGEBAKNN-SNXDCQSFSA-N 325.408 3.297 30 40 EGEB biogenic CCNC(=S)N/N=C/c1ccccc1OCc1cccc(F)c1 6843280 DUAOAXKEXSWHKH-RGVLZGJSSA-N 331.416 3.223 30 40 EGEB Cc1cc(C)c(C#N)c(SC[C@@H](O)COCc2ccccc2)n1 5353255 QBYMKHIEFYOMEC-INIZCTEOSA-N 328.437 3.240 30 40 EGEB CCN(CC)CC/C(=N/O)C(O)(c1ccccc1)c1ccccc1 67194116 OVVRYTXYUBRVRW-VZCXRCSSSA-N 326.440 3.485 30 40 EGEB Cc1ccc([C@H](C)/C(O)=N/S(=O)(=O)c2nc3ccccc3[nH]2)cc1 69388428 NHVYADKVLOXMJO-LBPRGKRZSA-N 343.408 3.320 30 40 EGEB C=CCn1c2cc(C)sc2c2cnn([C@@H](C)C(=O)OCC)c(=O)c21 72334536 CPRBUSKQECGFIW-NSHDSACASA-N 345.424 3.031 30 40 EGEB C[C@@H]1C(O)=NCCN1/C(O)=N/[C@H]1CC=C(c2ccc(F)cc2)CC1 329268132 GKNLBWQGHNPYNV-WBMJQRKESA-N 331.391 3.336 30 40 EGEB CCc1cc2c(=O)n(Cc3ccco3)c(SCC#N)nc2s1 5001002 NHEIEZSZOWQDRQ-UHFFFAOYSA-N 331.422 3.277 30 40 EGEB N#C[C@@H](C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)c1nc2ccccc2[nH]1 41494877 TWUZKOHBKAUWEP-OLZOCXBDSA-N 348.337 3.004 30 40 EGEB COC(=O)COc1ccc(/C=N/NCc2ccccc2Cl)cc1 8811326 SWBZSNVEWSSUHR-VXLYETTFSA-N 332.787 3.016 30 40 EGEB COCc1cccc(CNC(=O)c2ccc(N3CCCC3)c(C#N)c2)c1 72285399 BARQPGVWANLQMT-UHFFFAOYSA-N 349.434 3.235 30 40 EGEB CC(C)Nc1nnc(S[C@@H](C)C(=O)Nc2ccccc2C#N)s1 3383453 YEGWMJFUNNQVHB-JTQLQIEISA-N 347.469 3.349 30 40 EGEB N#Cc1cccc(S(=O)(=O)Nc2cccc(Br)c2)c1 3348281 ANATUDFVMQJPGY-UHFFFAOYSA-N 337.198 3.122 30 40 EGEB CSC(/N=C\N(C)C)=N\N=C(\C)c1ccc(Br)cc1 104244934 ZVFBGKJLSGQLKE-ICUZBPRHSA-N 341.278 3.482 30 40 EGEB COc1cc(/C=N/OCc2ccccc2C#N)cc(OC)c1OC 408594596 UFDPWRHLLSBVBU-RGVLZGJSSA-N 326.352 3.135 30 40 EGEB C/C(=N\NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 5895823 XGIOAWSEHFREFY-LICLKQGHSA-N 326.780 3.182 30 40 EGEB COc1cc([C@H](C)Nc2ccc(Cl)c(C#N)n2)ccc1OCCO 67368920 DNJTYWQNOADBJA-NSHDSACASA-N 347.802 3.159 30 40 EGEB C[C@H](c1ccc(NC(=O)c2cccc(C#N)c2)cc1)N1CCOCC1 69350679 XFVGOTVASDJWJM-OAHLLOKOSA-N 335.407 3.204 30 40 EGEB N#CCCN(Cc1ccco1)C(=O)COCc1ccccc1Cl 69509033 LETHXBNZJWVUPD-UHFFFAOYSA-N 332.787 3.392 30 40 EGEB N#CCc1cccc(C(=O)NCc2cccc(OCC(F)F)c2)c1 69744432 GRNUDKKMGIUZMK-UHFFFAOYSA-N 330.334 3.327 30 40 EGEB COc1ccc([C@H](C#N)NC(=O)c2ccc3cc[nH]c3c2)c(OC)c1 75583911 FSNOHAPUOAZKOM-KRWDZBQOSA-N 335.363 3.180 30 40 EGEB Cc1cc(/C=N/Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1ccccn1 409234439 ZZNCJVNFXQFNBP-KEBDBYFISA-N 336.355 3.238 30 40 EGEB CC(C)(C)c1ccc([C@H]2CCCN2C(=O)Cn2cc(C#N)cn2)cc1 331595408 URPKCXPJUNFSPR-GOSISDBHSA-N 336.439 3.416 30 40 EGEB COc1ccccc1OCC#CCNC(=O)c1cc2ccccc2o1 90610385 MTMPEAGSSOESAR-UHFFFAOYSA-N 335.359 3.254 30 40 EGEB N#Cc1cn(Cc2ccccc2[N+](=O)[O-])c2ccc(Cl)cc2c1=O 106588557 DZDLQJWRQIGPKD-UHFFFAOYSA-N 339.738 3.483 30 40 EGEB COc1ccc2c(C)cc(N/N=C/c3ccc([N+](=O)[O-])o3)nc2c1 5552761 ICXPWGLLFWRFSL-RQZCQDPDSA-N 326.312 3.499 30 40 EGEB Cc1cc(C)n(-c2nncn2/N=C/c2ccc(Cl)cc2Cl)n1 89747 RMLKZVFYZKQFFZ-CNHKJKLMSA-N 335.198 3.270 30 40 EGEB C=CCn1c(-c2ccccc2)cnc1SCC(=O)N1CCCC1 44085661 AQNXCEYMVWKSIL-UHFFFAOYSA-N 327.453 3.451 30 40 EGEB COc1ccccc1Cn1c(N)c(C#N)c2nc3ccccc3nc21 503873 BJMFAABVZRZYTR-UHFFFAOYSA-N 329.363 3.095 30 40 EGEB Cn1/c(=N\N=C2/C(=O)Sc3ccccc32)sc2ccccc21 4773433 WAEVAJMSIRJCGZ-PUZBGTOPSA-N 325.418 3.177 30 40 EGEB O=C1[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1cccc2ccccc12 105651908 BEURJWSVPJQBHB-KCMREXPUSA-N 330.387 3.371 30 40 EGEB C[C@@H](C/C(O)=N/S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)C1CC1 58168287 VITYKXBHMZXSHS-QMMMGPOBSA-N 346.792 3.330 30 40 EGEB CCc1oc(C(=O)N[C@H](C#N)c2ccc(OC)cc2OC)cc1C 95415230 WUZRNUDBLKZHDY-CQSZACIVSA-N 328.368 3.162 30 40 EGEB Cc1nn(CN(CCC#N)Cc2ccccn2)c(C)c1Br 68618998 RSELEZIXUOBTRS-UHFFFAOYSA-N 348.248 3.031 30 40 EGEB N#Cc1ccc(OCCOc2ccc(C(=O)N3CCCC3)cc2)cc1 69587069 FNJQPMGNCWFBBW-UHFFFAOYSA-N 336.391 3.252 30 40 EGEB N#C[C@]1(NC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)CCSC1 69844412 ZKCULLIRHQKCKB-MRXNPFEDSA-N 347.827 3.053 30 40 EGEB N#Cc1c(NC(=O)CCc2cccc(Cl)c2)nc2n1CCS2 72287814 DVQCBHAXLYWEPL-UHFFFAOYSA-N 332.816 3.085 30 40 EGEB COCCN/C(=N\C1CCCCC1)NCC1(c2ccccc2)CC1 72271829 PFVNKWXZCKEDRE-UHFFFAOYSA-N 329.488 3.233 30 40 EGEB C=Cc1ccc(C(O)=Nc2c(C(=O)OCC)cnn2CCC#N)cc1 330032682 QRBVQCDGKCFHNJ-UHFFFAOYSA-N 338.367 3.253 30 40 EGEB COc1cccc([C@]2(O)CC[C@@H]3CN(Cc4cccc(C#N)c4)C[C@@H]32)c1 13568920 LAKGZRJWGZDTEI-BVYCBKJFSA-N 348.446 3.296 30 40 EGEB COc1cc(Cl)nc(/N=C/c2cc(Br)ccc2O)n1 5512906 WEPHLWLIGBDTRL-GIDUJCDVSA-N 342.580 3.357 30 40 EGEB Cc1sc2nc(SCC#N)n(Cc3ccco3)c(=O)c2c1C 5001006 JPYIENWUIXMOAT-UHFFFAOYSA-N 331.422 3.332 30 40 EGEB COc1ccccc1/C=N/Nc1nnnn1-c1cccc2ccccc12 4380212 BYSNNFOJNJJWLC-DEDYPNTBSA-N 344.378 3.270 30 40 EGEB N#Cc1ccccc1NC(=O)c1ccc(=O)n(Cc2ccccc2)c1 7573732 VMXNXNKWYWLYGL-UHFFFAOYSA-N 329.359 3.021 30 40 EGEB C#CCn1/c(=N/C(=O)c2ccco2)sc2cccc(OCC)c21 100910075 CFCLISAYXAFOBE-ZCXUNETKSA-N 326.377 3.069 30 40 EGEB N#Cc1nc(N[C@@H](CO)Cc2c[nH]c3ccccc23)ccc1Cl 78666728 WVAOQHVVUILXSL-GFCCVEGCSA-N 326.787 3.103 30 40 EGEB CCNC(=S)N/N=C/c1ccc(Sc2nc3ccccc3[nH]2)o1 6564585 ZHRKOGVDLPAROT-RQZCQDPDSA-N 345.453 3.125 30 40 EGEB N=C(N/N=C\c1ccccc1Cl)N/N=C/c1ccccc1Cl 8622583 BFWGTYQTOSUAMS-KFSYKRRRSA-N 334.210 3.475 30 40 EGEB CCCCCCCc1c(O)nc(SCCN(CC)CC)[nH]c1=O 29747413 LXXBYKVHXTWHGY-UHFFFAOYSA-N 341.521 3.422 30 40 EGEB Cc1c(CNC2CCN(Cc3ccc(F)cc3)CC2)cc(C#N)n1C 48363728 ZJAGRPKNDUJFQV-UHFFFAOYSA-N 340.446 3.099 30 40 EGEB C=CCOc1ccccc1C(=O)N[C@H](C)c1nc(C(C)(C)C)no1 72303573 UHWZELOQXCOORY-GFCCVEGCSA-N 329.400 3.423 30 40 EGEB O=C1Nc2ccc(Br)cc2/C1=N/c1cccc(C(=O)O)c1 6534055 CIJRGLNRMDQOBC-UHFFFAOYSA-N 345.152 3.220 30 40 EGEB CSc1nc(NC[C@@H](C)O)c(C#N)c(-c2ccc(Cl)cc2)n1 19820542 AKBWJEHYWSKKPN-SECBINFHSA-N 334.832 3.183 30 40 EGEB COCC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 69452632 AFCYGRARVTVINA-UHFFFAOYSA-N 330.771 3.376 30 40 EGEB C=CCOc1ccc(NS(=O)(=O)c2cc(OC)ccc2OC)cc1 223677119 BPXVCKKYHUFPTK-UHFFFAOYSA-N 349.408 3.069 30 40 EGEB COCc1cc(C)nc(N/N=C/c2ccc3c(c2)CCCO3)c1C#N 95470859 GPBXNIDWBDAFKG-SRZZPIQSSA-N 336.395 3.179 30 40 EGEB Cc1c([C@@H](C)NCC2CCN(C)CC2)cnn1-c1ccc(C#N)cc1 97233917 QPKTYHTYTHHEMM-OAHLLOKOSA-N 337.471 3.045 30 40 EGEB C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc2ccccc2c(=O)[nH]1 71841958 ZPGYRVNAQHDZKF-UHFFFAOYSA-N 343.386 3.228 30 40 EGEB O=S(=O)(/N=C(\O)[C@H]1CCCC[C@@H]1C(F)(F)F)N1CCCCC1 52794032 YAXCHNSTEQVJLO-QWRGUYRKSA-N 342.383 3.042 30 40 EGEB Cc1ccc(-n2nnnc2[C@H](C#N)C(=O)c2ccc(Cl)cc2)cc1 16311429 MFLKKHJSDUXLMI-OAHLLOKOSA-N 337.770 3.114 30 40 EGEB O=C1C[N+]2(CCCC2)C[C@@H](Cn2c3ccccc3c3ccccc32)O1 211070242 RZVUGCXWIPSRKH-MRXNPFEDSA-N 335.427 3.331 30 40 EGEB CC1(C)OB(c2ccc([C@H](O)c3cccc(F)c3)cc2)OC1(C)C 2237365279 WEZKGOQYUUGAIU-KRWDZBQOSA-N 328.192 3.207 30 40 EGEB CCc1ccc(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)o1 40511110 YEIFZLDOGXHWIT-KRWDZBQOSA-N 341.386 3.004 30 40 EGEB CCN1CCN(C[C@H](S)CO[C@@H]2C[C@@H](C)CC(C)(C)C2)CC1 26781459 MHXZIESENXBTBB-ZACQAIPSSA-N 328.566 3.154 30 40 EGEB N#CC1(C(=O)N2CC[C@@H](OCCCc3ccccc3)C2)CCCC1 84528597 FWJQMCPSGZCYRK-GOSISDBHSA-N 326.440 3.321 30 40 EGEB CCN1CCN(C[C@@H](S)CO[C@@H]2C[C@H](C)CC(C)(C)C2)CC1 22863959 MHXZIESENXBTBB-GVDBMIGSSA-N 328.566 3.154 30 40 EGEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)[C@H]3C[C@@H]3C)c2)c1 12988653 MKIUZVRDWUZZCW-LIRRHRJNSA-N 333.387 3.468 30 40 EGEB Cc1nnc(S)n1/N=C/c1cc(C)n(-c2ccc(F)cc2)c1C 408869801 UGGIRTAIMPHQMX-GIJQJNRQSA-N 329.404 3.304 30 40 EGEB COc1ccc([N+](=O)[O-])cc1/N=C\c1ccc(O[C@H](C)C(=O)O)cc1 408814909 GTAMBJWOIRUONA-IPHDDYSGSA-N 344.323 3.206 30 40 EGEB CCOc1ccc(/C=N/Nc2ncccc2[N+](=O)[O-])c(OCC)c1 409097829 ODHWDNZAPQHQCC-WOJGMQOQSA-N 330.344 3.233 30 40 EGEB CSc1nn(-c2ccccc2)c(NC(=O)c2cc(C)no2)c1C#N 125833890 VEIIXNUWHQIWJQ-UHFFFAOYSA-N 339.380 3.015 30 40 EGEB C=CCN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(C)cc1 224686194 SJFOOZWRONBBDK-UHFFFAOYSA-N 331.393 3.105 30 40 EGEB C[C@@H]1Cc2n[nH]cc2CN(c2ccc(C#N)c(Br)c2)C1 1652234297 XFAVZVAIUDLKOY-SNVBAGLBSA-N 331.217 3.243 30 40 EGEB COc1ccc([C@H](CNC(=O)c2cccc(C#N)c2)N2CCCC2)cc1 12785052 NAEIAWYXQNGMOA-FQEVSTJZSA-N 349.434 3.134 30 40 EGEB COc1cc(/C=N/Nc2nc3ccccc3[nH]2)cc(OC)c1OC 13154468 WXJUGVRDGAAXMB-VCHYOVAHSA-N 326.356 3.035 30 40 EGEB CC(C)/N=C1/S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1C(C)C 13151346 OCSQFVYPJRBREW-YWMAMYRUSA-N 333.457 3.132 30 40 EGEB COc1ccc2c(c1)CC/C2=N\OC(=O)c1ccc(OC)c(OC)c1 15686214 JTJJPLACTCXLMZ-CAPFRKAQSA-N 341.363 3.220 30 40 EGEB C#CCNC(=O)c1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1 18837909 UWQBYRJXSZOPPU-UHFFFAOYSA-N 347.370 3.043 30 40 EGEB C=CCc1cc(S(=O)(=O)c2ccc(O)c(CC=C)c2)ccc1O 358954 MTMKZABGIQJAEX-UHFFFAOYSA-N 330.405 3.388 30 40 EGEB biogenic C/C(=N/NS(=O)(=O)c1ccc(C)cc1C)c1c[nH]c2ccccc12 32578362 FFRDHGGOWAUXHB-ZHZULCJRSA-N 341.436 3.487 30 40 EGEB N#CC1(C#N)[C@H]2CCCC[C@@]23OC(=N)[C@@]1(C#N)[C@@H](Cc1ccccc1)O3 102993825 MCBJDBNHNDAUID-XNFNUYLZSA-N 346.390 3.065 30 40 EGEB C=CCOc1c(Cl)cc(CNCCN(CC)CC)cc1OC 22076681 RWOSTTHPUCSUBA-UHFFFAOYSA-N 326.868 3.345 30 40 EGEB O=C1CC(c2ccco2)CC(=O)C1=C1OCCN1Cc1ccccc1 20800839 DFGBNEDMBRCDBM-UHFFFAOYSA-N 337.375 3.039 30 40 EGEB C[C@H](Oc1cccc(/C=C2\CCc3cc(O)ccc3C2=O)c1)C(=O)O 60364421 RVXRBLUTLMNSQW-DGGAMASNSA-N 338.359 3.457 30 40 EGEB COc1cc(/C=N/NCc2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC 10118849 CEIDYVDUUAPAAP-VXLYETTFSA-N 349.774 3.389 30 40 EGEB N#Cc1ccc(C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)cc1 3435626 USFGAKXVKVNKIR-UHFFFAOYSA-N 348.189 3.234 30 40 EGEB O=C(O)C[C@@H]1S/C(=N\N=C2CCCCC2)N(c2ccccc2)C1=O 13139863 YGVUHDPOGGNSET-STGLLQLASA-N 345.424 3.286 30 40 EGEB C=CCn1c(SCC(C)=O)nc2sc3c(c2c1=O)CC[C@H](C)C3 4284156 OFYXTZMLNNTZJV-JTQLQIEISA-N 348.493 3.450 30 40 EGEB CC[C@@H]1CCCN(C(C)(C)CNC(=O)c2c(F)cc(C#N)cc2F)C1 95410144 XRXYSQQXQXWWRH-CYBMUJFWSA-N 349.425 3.467 30 40 EGEB C=CCOc1ccc(-c2c3c([nH]c(=N)c2C#N)CCCC3)cc1OC 408979967 OZOMAZJCWUWIST-UHFFFAOYSA-N 335.407 3.485 30 40 EGEB C[C@@H](Oc1ccc(OCc2ccccc2C(C)(C)C#N)cc1)C(N)=O 89369121 JYCYXKQYKZJUEG-CQSZACIVSA-N 338.407 3.319 30 40 EGEB C=CCOc1cc(C(=O)NCCCn2ccnc2)cc2occc12 72240255 JDTXARATFGTKKR-UHFFFAOYSA-N 325.368 3.014 30 40 EGEB N#Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CCCO[C@H]1c1ccccc1 299226138 JCCOTOPBSHPPFN-PBHICJAKSA-N 338.367 3.441 30 40 EGEB CCS(=O)(=O)Nc1ccc(C(=O)/C=C/c2scnc2C)cc1 78694291 IVWMPDUBMUOQQU-CMDGGOBGSA-N 336.438 3.109 30 40 EGEB COCCC1(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)CC1 96489432 RNCXCQZWWQNZPH-LBPRGKRZSA-N 327.211 3.491 30 40 EGEB O=C(O)c1ccc(/N=C/c2cc(Br)ccc2O)cc1O 1606593 PXSBXHUUOXUHKK-FRKPEAEDSA-N 336.141 3.309 30 40 EGEB C[C@](O)(C#C[C@](O)(c1ccccc1)C(F)(F)F)c1cccc(F)c1 4334548 HHUJOCNZCDDYGB-IRXDYDNUSA-N 338.300 3.487 30 40 EGEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@H]2c1nc2ccccc2[nH]1 18195629 FOMBPNJUOVFZHP-AWEZNQCLSA-N 349.394 3.192 30 40 EGEB COc1ccc(C(=O)/C=C/c2cc(OC)c3c(c2)OCO3)c(O)c1 35324267 FTCRQVKGKOGNBQ-ZZXKWVIFSA-N 328.320 3.034 30 40 EGEB Cc1c(/N=C/c2ccc3c(c2)OCCO3)c(=O)n(-c2ccccc2)n1C 102946245 LXGQKCKAHXHZPU-FYJGNVAPSA-N 349.390 3.006 30 40 EGEB CSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1ccccc1 4194079 MYGNPEXSQCEOSW-CYBMUJFWSA-N 339.420 3.056 30 40 EGEB N#Cc1ccc(NC(=O)COc2cc(F)ccc2[N+](=O)[O-])cc1Cl 4975769 HXKVDSMPQFNOCE-UHFFFAOYSA-N 349.705 3.276 30 40 EGEB O=S(=O)(/N=C(O)/C=C/c1ccccn1)C1=Cc2ccccc2CC1 95443218 BNIZUAUOHJDOQQ-PKNBQFBNSA-N 340.404 3.368 30 40 EGEB COc1ccc(/C=C2\COc3ccc(OC)cc3C2=O)c(OC)c1 22958070 NNLWITAFYDLVHV-MDWZMJQESA-N 326.348 3.371 30 40 EGEB Cn1cc(C#N)cc1C(=O)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 81534394 IVLGHCYGKDHDBC-UHFFFAOYSA-N 338.367 3.394 30 40 EGEB C=CCNc1oc(/C=C/c2cc(OC)c(OC)c(OC)c2)nc1C#N 8469933 NITZIUHTBJKTDD-VOTSOKGWSA-N 341.367 3.340 30 40 EGEB N#CCc1ccc(NC(=O)C(=O)N[C@H]2CCCCc3ccccc32)cc1 69560568 UKMKRGNSOUPEIA-IBGZPJMESA-N 347.418 3.275 30 40 EGEB Cc1c(CN[C@@H]2CCCc3c2cnn3C(C)(C)C)cc(C#N)n1C 72274476 PYFUVOMWCJIBQA-QGZVFWFLSA-N 325.460 3.324 30 40 EGEB O=[N+]([O-])c1cccnc1N/N=C/c1ccc(N2CCCCCC2)o1 409094310 DGGNSYYEHDGWSP-LDADJPATSA-N 329.360 3.409 30 40 EGEB C[C@@H](CC#N)NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 194473314 HVHHSHYZUVJYEI-ZDUSSCGKSA-N 339.351 3.206 30 40 EGEB C=CCN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 224665414 ORTLXAXUCNYINV-UHFFFAOYSA-N 333.409 3.085 30 40 EGEB Cc1nc(NS(=O)(=O)c2ccccc2F)sc1SCC#N 96403607 QKDHFOMJIRQSJY-UHFFFAOYSA-N 343.430 3.007 30 40 EGEB C=CCSc1nnc(NC(=O)[C@H](C)Oc2ccc(F)cc2)s1 16008261 MJYUXHSZBGLEHD-VIFPVBQESA-N 339.417 3.361 30 40 EGEB CCOc1cccc(/C=N\n2c(S)nnc2-c2ccccc2)c1O 1473759 SHXNNJYUVQVXKK-WQRHYEAKSA-N 340.408 3.220 30 40 EGEB Cc1cccc(NC(=O)N2CCC[C@H](Oc3cc(C#N)ccn3)C2)c1 575614076 WGKOXLYJSZWDSV-KRWDZBQOSA-N 336.395 3.337 30 40 EGEB N#Cc1ccc(NC(=O)NC[C@H](O)c2ccccc2F)cc1Cl 40103380 RTKVFNUUSQHAKS-HNNXBMFYSA-N 333.750 3.206 30 40 EGEB N#C[C@@H](NC(=O)c1cccc2c1OCCO2)c1ccc(Cl)cc1 79352478 UQLVCONOVZGAGA-CQSZACIVSA-N 328.755 3.106 30 40 EGEB N#Cc1c(COC(=O)c2cc(=O)c3ccccc3o2)cn2ccccc12 25164898 QNOVCVUCTGBHPC-UHFFFAOYSA-N 344.326 3.274 30 40 EGEB Cc1ccc(C(=O)/N=C2/N=C3N=CC=CN3Cc3ccccc32)cc1 102944561 ORJFQENOBDPDIA-RELWKKBWSA-N 328.375 3.352 30 40 EGEB C/N=C(/S)N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 13555494 GDULYWQJTPDQKS-FRKPEAEDSA-N 338.776 3.347 30 40 EGEB C[C@H]1S/C(=N\N=C\c2ccccc2OCc2ccccc2)NC1=O 5233991 SJXSDQHWOJJJBO-OTGIAGGSSA-N 339.420 3.207 30 40 EGEB CN(Cc1cccc(O)c1)C(=O)Nc1cc(C#N)cn1C(C)(C)C 65595262 LRRSICWIQWAPSD-UHFFFAOYSA-N 326.400 3.484 30 40 EGEB N#Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1 4524487 SYJZDIGXPRFOCI-UHFFFAOYSA-N 346.686 3.280 30 40 EGEB N#Cc1ccsc1NC(=O)CSc1nc2ncc(Cl)cc2[nH]1 6589640 INWSVVCQFKDKSQ-UHFFFAOYSA-N 349.828 3.275 30 40 EGEB C=CCn1c(CC(=O)Nc2cccc(C(F)(F)F)c2)n[nH]c1=S 4739094 BSEOBLDHCOKODA-UHFFFAOYSA-N 342.346 3.327 30 40 EGEB N#Cc1ccc(NC2CCN(c3ncccn3)CC2)cc1C(F)(F)F 67351255 QZQAJWZHYFTSTF-UHFFFAOYSA-N 347.344 3.448 30 40 EGEB Cc1nnc(N2CCO[C@@H](c3ccccc3Cl)C2)c(C#N)c1C 69570713 YVRXFMWRHQRJNV-MRXNPFEDSA-N 328.803 3.196 30 40 EGEB C#CCN1C(=O)S/C(=C\c2ccc(N3CCCCC3)cc2)C1=O 408960070 IZIMPXYYUCNGFP-SSZFMOIBSA-N 326.421 3.346 30 40 EGEB Cc1ccc(S(=O)(=O)O[C@@H]2CN(C)CC=C2c2ccccc2)cc1 31960428 KXDRDYQUBGMPQT-LJQANCHMSA-N 343.448 3.098 30 40 EGEB C=CCN(c1cccc(C(=O)OC)c1)S(=O)(=O)c1ccc(C)cc1 224696190 JQKOGLJKZUSAEI-UHFFFAOYSA-N 345.420 3.163 30 40 EGEB COc1cccc([C@]2(O)CC[C@H]3CN(Cc4ccc(C#N)cc4)C[C@H]32)c1 229941522 KMCCQEQBARDROD-VLCRHTCISA-N 348.446 3.296 30 40 EGEB Cc1nc(N=C(O)[C@@H]2CCCO[C@H]2c2ccnn2C)cc(C2CC2)n1 329108703 FSMOZFLUGWBWTA-CXAGYDPISA-N 341.415 3.152 30 40 EGEB C[C@@H]1CN(Cc2ccccc2C#N)CCN1Cc1ccccc1C#N 26669560 ARRKLICKXIWGLJ-QGZVFWFLSA-N 330.435 3.136 30 40 EGEB N#Cc1cc(N2CCC[C@@H]3C[C@@H]32)cc(N2CCC[C@@H]3C[C@H]32)c1[N+](=O)[O-] 588066546 RIVVVJXJTNKDDO-UTJXIGIESA-N 338.411 3.444 30 40 EGEB C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2ccc(C#N)nc2)C1 97227715 MFWFEUNLNYQIPV-ZIAGYGMSSA-N 330.432 3.083 30 40 EGEB O=S(=O)(N/N=C\c1c(Cl)cccc1Cl)c1ccccc1 17189489 GCAWUBBEOBJEDQ-SXGWCWSVSA-N 329.208 3.306 30 40 EGEB N#Cc1ccccc1N/C=C/c1nccc2c1cnc1c(C#N)cnn12 100311487 WQLYBORTYSSFMO-FNORWQNLSA-N 337.346 3.104 30 40 EGEB COc1ccc(Cl)cc1C/C(O)=N/c1nc(C(F)(F)F)n[nH]1 26253534 FFVXWBFSWSOAGF-UHFFFAOYSA-N 334.685 3.316 30 40 EGEB N#Cc1c(CN2CCN(Cc3cccs3)CC2)cn2ccccc12 25005009 ZMWICMKPUNCJNZ-UHFFFAOYSA-N 336.464 3.190 30 40 EGEB C[C@@H]1C[C@@H]1c1ccc(/C=C2\C(=O)c3ccccc3S(=O)(=O)N2C)o1 13655845 WTSMIYHHQIFZKW-CUUNMWDPSA-N 343.404 3.261 30 40 EGEB COc1ccc(/N=C2/NC(=O)[C@H](Cc3ccc(F)cc3)S2)cc1 16739811 JYWICGJGYDQQGN-HNNXBMFYSA-N 330.384 3.296 30 40 EGEB COCC(=O)Nc1cccc(CNc2ccc(Cl)cc2C#N)c1 69632615 ROOULTKXIZJIFQ-UHFFFAOYSA-N 329.787 3.409 30 40 EGEB CCCCCCCNS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1 226856408 UADZSCLLUPVSHE-UHFFFAOYSA-N 333.837 3.287 30 40 EGEB CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OC(C)=O)cc1C#N 225820764 VKBQOXNGEDFDCW-SFHVURJKSA-N 332.400 3.263 30 40 EGEB C=C(C)COC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 16246735 SGFRAQLHPZBWFG-UHFFFAOYSA-N 335.359 3.216 30 40 EGEB C/C(=N\O)C1=NO[C@@H](CNc2ncc(C(F)(F)F)cc2Cl)C1 100067469 BZYBVEXQKZBCRX-GWEZJUCKSA-N 336.701 3.161 30 40 EGEB CC(=O)[C@H]1CC[C@H]2[C@H]3CCC4=CC(=O)C[C@]4(C)[C@]3(F)[C@@H](O)C[C@]12C 6186521 MCAHIIQBOBRLHG-OUIJSLBESA-N 334.431 3.396 30 40 EGEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCC(=O)c1ccccc1 7672143 PUKVNRRMNFUUDM-UHFFFAOYSA-N 334.331 3.290 30 40 EGEB C=CCOc1ccc2c(c1)CC[C@@H]1[C@@H]3C[C@H](O)[C@H](O)[C@@]3(C)CC[C@@H]21 8299223 GVKVGOGUDSJCLX-PXQJOHHUSA-N 328.452 3.439 30 40 EGEB COc1ccc(C[C@@H](C#N)C(=O)Nc2ccccc2OC)c(OC)c1 57524884 VJPUCIFLSDDLGR-AWEZNQCLSA-N 340.379 3.033 30 40 EGEB CCOc1ccc(CN2C(=O)/C(=N\O)c3cc(C)ccc32)cc1OC 39853924 FAGZWTKGEAWFHQ-ZZEZOPTASA-N 340.379 3.127 30 40 EGEB COc1cc(/C=C/C(=O)c2ccc(N3CCCC3=O)cc2)ccc1O 7325144 FBYMCMLPOJXOTH-ONNFQVAWSA-N 337.375 3.424 30 40 EGEB C=CCOc1cccc(NC(=O)COc2cc(OC)cc(OC)c2)c1 218891802 IVTDVUVVJXWNCM-UHFFFAOYSA-N 343.379 3.286 30 40 EGEB Cc1ccccc1NC(=O)Cn1c(C#N)cc(N)c1Cc1ccccc1 225860747 GSEOTUKTNHUVTH-UHFFFAOYSA-N 344.418 3.480 30 40 EGEB COc1ccc(Br)cc1CCC(=O)N(C)[C@H](C)CC#N 96416999 DZGBUFDUZVYQMI-LLVKDONJSA-N 339.233 3.151 30 40 EGEB Cc1ccc(S(=O)(=O)/N=C2\C=C(Cl)C(=O)c3ccccc32)cc1 285147 HEXZPWGZGDGCEG-KNTRCKAVSA-N 345.807 3.492 30 40 EGEB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)/N=C/c1ccc(N(C)C)cc1 19878508 ACACPGYGMINGMI-CCULFSDZSA-N 349.434 3.437 30 40 EGEB N#Cc1ccnc(OC[C@H]2CCCN(c3nc4ccccc4o3)C2)c1 1775973129 IHUXCOZGUOWSIC-HNNXBMFYSA-N 334.379 3.390 30 40 EGEB Cc1ccc([C@](O)(CCNc2ncccc2C#N)C(F)(F)F)o1 40489715 BURFBLNGTUKYPP-CQSZACIVSA-N 325.290 3.107 30 40 EGEB COc1ccc(/C=C/C(=O)NC(=S)Nc2ccccc2C#N)cc1 267129 AAPABKAWMCTXLD-DHZHZOJOSA-N 337.404 3.093 30 40 EGEB CC(=O)CCc1ccc(O[C@H](C)C(=O)Nc2ccc(C#N)cc2)cc1 32957754 PXNIYZOGWGFSCK-OAHLLOKOSA-N 336.391 3.486 30 40 EGEB Cc1ccc(C(=O)[C@@H](C#N)c2nc3sc(C)c(C)c3c(=O)[nH]2)s1 35360149 MPODYYXYSQISDL-SNVBAGLBSA-N 343.433 3.461 30 40 EGEB CO[C@@H](C)C(=O)Nc1cccc(NC(=O)Nc2ccc(C#N)cc2)c1 58005626 WIOOVOHRVXJTLV-LBPRGKRZSA-N 338.367 3.176 30 40 EGEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@@H](C)c1ccccc1 12600239 BTXKLTNFPVFURK-HNNXBMFYSA-N 337.423 3.016 30 40 EGEB CCN(Cc1ccccc1)C(=O)C1CCN(c2ccc(C#N)cn2)CC1 44894243 UPLJNRYQOZOCGZ-UHFFFAOYSA-N 348.450 3.218 30 40 EGEB N#Cc1ccccc1OCC(=O)Oc1ccccc1Br 13141628 RNPNTQUSPSSNMS-UHFFFAOYSA-N 332.153 3.305 30 40 EGEB CCCCCCCc1nnc(SCC(=O)N(CC)CC)n1C 408561263 ZXTGEIPHGWJNBO-UHFFFAOYSA-N 326.510 3.289 30 40 EGEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(N3CCCC3)c(F)c2)nc1 409068287 IJQFDOHPPWMYDB-VXLYETTFSA-N 329.335 3.175 30 40 EGEB N#C[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1ccsc1 69744876 YOKUASRJXFJAJM-OAHLLOKOSA-N 344.396 3.229 30 40 EGEB N#Cc1ccc(C(=O)N2CC[C@@H](Oc3ccc4ccccc4n3)C2)cc1 225738881 OAHMUZTYSYAYCI-GOSISDBHSA-N 343.386 3.400 30 40 EGEB Cc1nc(C)c(S(=O)(=O)/N=C(\O)CCc2ccsc2)s1 83150829 IPHHMPNRIMTGIJ-UHFFFAOYSA-N 330.456 3.099 30 40 EGEB COc1ccc(C2(/C(O)=N/c3nc(C(C)C)n[nH]3)CCOCC2)cc1 95476882 IFWXPYYIXNHEAR-UHFFFAOYSA-N 344.415 3.273 30 40 EGEB C[C@@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43CO)[C@H]1CC[C@H]2C(=O)O 254445740 BLYFONBCAVAHLI-JGFIGGHZSA-N 332.440 3.192 30 40 EGEB Cc1ccccc1C[C@H](C)NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 279397033 UVYSXLJYBJXVCW-OXJNMPFZSA-N 331.419 3.296 30 40 EGEB CN(C(=O)Cc1cscc1Br)[C@@H]1CCC[C@@H]1C#N 601819837 QPNXEQHOFVNGQN-BXKDBHETSA-N 327.247 3.204 30 40 EGEB Cc1cccnc1NC(=O)[C@H]1CCCN(c2ccc(C#N)cc2F)C1 58314097 VMFGMJOKSIOIFY-HNNXBMFYSA-N 338.386 3.256 30 40 EGEB COc1ccc(C(=O)C[n+]2cc(-c3ccccc3)n3c2CCC3)cc1 12558265 KKIFBDCVZHIJIC-UHFFFAOYSA-N 333.411 3.280 30 40 EGEB N#Cc1cccc(NS(=O)(=O)c2ccccc2Br)c1 16147454 HHBOSDLCZIVLHY-UHFFFAOYSA-N 337.198 3.122 30 40 EGEB C[C@H](NC(=O)NCCNc1cccc(F)c1C#N)c1cccs1 40139463 FXNXQQIGQCIOHV-NSHDSACASA-N 332.404 3.231 30 40 EGEB CC(=O)OC[C@@H]1[C@H]2[C@H]3CCC[C@@H]3[C@H]3[C@H]4C(=O)C5=C6[C@@H](CC5)[C@H]1[C@H]([C@H]64)[C@H]23 101139404 ACNQABZCVSHDBM-XJKPECOASA-N 338.447 3.239 30 40 EGEB CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc(C#N)cc2)CC1 12770798 OFCRHXGJXFXEBT-UHFFFAOYSA-N 329.400 3.144 30 40 EGEB C=CCOc1cccc(-c2nn3c(-c4cccnc4)nnc3s2)c1 9227261 VNWMUPGQJHESHS-UHFFFAOYSA-N 335.392 3.480 30 40 EGEB COc1cc(C#N)ccc1O[C@@H](C)C(=O)Nc1ccc(Cl)cn1 15354905 PBYFQVYQJWCECB-JTQLQIEISA-N 331.759 3.021 30 40 EGEB CN1CCC(Nc2ccccc2NC(=O)c2cc(C#N)cs2)CC1 84283631 XPDMFQFQRWCSMH-UHFFFAOYSA-N 340.452 3.378 30 40 EGEB Cn1cc(C#N)cc1C(=O)O[C@@H](c1ccncc1)c1ccc(F)cc1 83766192 BKWSPTYTNFRCPO-GOSISDBHSA-N 335.338 3.377 30 40 EGEB Cc1nc(C)c(S(=O)(=O)/N=C(\O)Cc2c(C)cccc2C)s1 97147539 UZLONBYZSVGFJU-UHFFFAOYSA-N 338.454 3.265 30 40 EGEB Cc1nc(C(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)ccc1C#N 85482915 FOMAMDPCNFHSDD-QGZVFWFLSA-N 333.391 3.139 30 40 EGEB N#Cc1cc(C(F)(F)F)ccc1NCCc1nnc2ccccn12 95965243 VPWBJPCRMFMWPW-UHFFFAOYSA-N 331.301 3.274 30 40 EGEB N#Cc1cc(N2CCC[C@H](N3CCCC3=O)C2)ccc1C(F)(F)F 95944311 CHXFKXXYGLVTHR-AWEZNQCLSA-N 337.345 3.168 30 40 EGEB NC(=O)Cn1cc(/C=N\c2ccc(Cl)cc2O)c2ccccc21 409385063 INBBURWYXRHOCS-ZBKNUEDVSA-N 327.771 3.236 30 40 EGEB C=CCN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(OC)cc1 224858313 HTXUSTYBSVWMJN-UHFFFAOYSA-N 347.436 3.394 30 40 EGEB CCOC1CC2(CCN(C/C(O)=N/[C@@H]3CCOc4ccccc43)C2)C1 329194094 SRPQLCMHSGGHIZ-RYZJOYRSSA-N 344.455 3.358 30 40 EGEB C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)Nc1cnccc1C#N 225599354 GZSNVOIVXKGHBM-OAHLLOKOSA-N 349.438 3.383 30 40 EGEB C#CC(C)(C)OC[C@H](O)C[N+]1(Cc2ccccc2)CCCCCC1 226071944 RDDBJXYQTZDHEA-HXUWFJFHSA-N 330.492 3.367 30 40 EGEB N#Cc1ccc(CNC(=O)N[C@H]2CC[C@H](Nc3ccccn3)CC2)cc1 585137732 RDOHIIHRSFIKAT-IYARVYRRSA-N 349.438 3.176 30 40 EGEB NC(=S)N/N=C(\c1ccccc1)c1ccc(Br)cc1 16450746 PFIHEJMYQHMUIC-GHRIWEEISA-N 334.242 3.035 30 40 EGEB COc1ccc(/C=N/Nc2c([N+](=O)[O-])cc(C)cc2[N+](=O)[O-])cc1 17023797 NLLNZKFNLPRGFW-CXUHLZMHSA-N 330.300 3.266 30 40 EGEB Cc1ccc2c(cnn2[C@H]2CCCCO2)c1B1OC(C)(C)C(C)(C)O1 575631105 XCMDLKBCELZQNW-MRXNPFEDSA-N 342.248 3.343 30 40 EGEB CCc1cc(N2CCN(Cc3ccc(C#N)cc3)CC2)nc(C2CC2)n1 1888878962 PUSDYEXYEJQQSM-UHFFFAOYSA-N 347.466 3.110 30 40 EGEB C=CCCC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 71185156 RVDACLURIKRNLR-UHFFFAOYSA-N 342.361 3.124 30 40 EGEB CCOc1cccc(/C=N/c2sc3c(c2C#N)CCN(C)C3)c1O 1306048 XXJMVSKJVGJFGQ-KEBDBYFISA-N 341.436 3.463 30 40 EGEB Cc1ccccc1N1CCN([C@@H](C)C(=O)Nc2ccc(C#N)cc2)CC1 57703848 SSKOVJXYWKMJCO-KRWDZBQOSA-N 348.450 3.016 30 40 EGEB C=CCOc1ccc(C=C2C(=O)OC3(CCCC3)OC2=O)cc1OC 58866053 ZZSMNKJRGSELLF-UHFFFAOYSA-N 344.363 3.014 30 40 EGEB Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H](C)CCC(C)C 48290547 RRQRRDREGVUXSR-ZDUSSCGKSA-N 341.459 3.091 30 40 EGEB CC(C)c1noc([C@@H](C)N2CCN(c3cccc(F)c3C#N)CC2)n1 29860527 NWIGUBJIONBOMD-CYBMUJFWSA-N 343.406 3.087 30 40 EGEB COc1ccc(CCNC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1 2742225 HPSQMOBPHVXKDU-UHFFFAOYSA-N 347.230 3.187 30 40 EGEB COc1ccccc1/C(N)=N/O[C@H](C)c1nnc(-c2cccs2)o1 72311196 SPGONTSRVVZYED-SNVBAGLBSA-N 344.396 3.205 30 40 EGEB CCOc1ccc(NC(=O)[C@@H](C#N)Cc2ccc(O)c(OC)c2)cc1 9434709 OUDFLYCAZMHREH-CQSZACIVSA-N 340.379 3.120 30 40 EGEB N#Cc1cccc(NC(=O)[C@H](c2ccccc2)N2CCCCC2=O)c1 71795706 ZESKASPJLAQHBV-IBGZPJMESA-N 333.391 3.251 30 40 EGEB N#Cc1ccc(NS(=O)(=O)c2ccccc2Br)cc1 7056113 SMJLAYADUKJUFM-UHFFFAOYSA-N 337.198 3.122 30 40 EGEB C=CCNC(=O)c1ccccc1NC(=O)Cc1cccc(Cl)c1 67795475 WECNTQMBJVDVLO-UHFFFAOYSA-N 328.799 3.437 30 40 EGEB Cc1ccc(N2C(=O)NC(=O)[C@H](C=Nc3ccc(C)cc3C)C2=O)cc1 408536865 SWCQJKLYXFLNCQ-INIZCTEOSA-N 349.390 3.213 30 40 EGEB O=C[C@H]1[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 225629958 WSYOKIMEHMNARE-ARFHVFGLSA-N 338.787 3.234 30 40 EGEB COc1ccccc1OCC#CCNC(=O)Nc1c(F)cccc1F 90730182 CEVKMCWVJHOEBP-UHFFFAOYSA-N 346.333 3.177 30 40 EGEB N#Cc1ccc(F)c(COC(=O)c2ccc(Cn3cccn3)cc2)c1 14150213 QJZGRQKFRUYSLQ-UHFFFAOYSA-N 335.338 3.299 30 40 EGEB Cc1ccc(C(=O)[C@@H](C#N)c2nnnn2-c2ccc(Cl)cc2)cc1 16291740 KYIJYWGLKXLYTH-OAHLLOKOSA-N 337.770 3.114 30 40 EGEB COc1cccc(C(=O)N2CCS/C2=N\CCc2ccccc2)c1 3415370 STVSURQDCZOZJY-VXPUYCOJSA-N 340.448 3.483 30 40 EGEB COCc1cc(C)nc(SCC(=O)Nc2ccccc2)c1C#N 58321 BJSRATWPVFVOQM-UHFFFAOYSA-N 327.409 3.139 30 40 EGEB Cc1ccc(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)s1 21710167 IDLKXXCFTGBCIN-INIZCTEOSA-N 343.427 3.218 30 40 EGEB C=CCNC(=O)[C@H]1[C@H]2CC[C@@]3(CC(=O)c4cc(Cl)ccc4O3)[C@@H]21 100123835 VBHRUMJEJJKFRF-HJSDFSPCSA-N 331.799 3.002 30 40 EGEB COc1cc([C@@H](C)Nc2ccc(C#N)cc2F)ccc1OCCO 58418452 BDARTVQLJCDMDZ-GFCCVEGCSA-N 330.359 3.250 30 40 EGEB COC(=O)/C=C1/S/C(=N\c2ccccc2)N(CCC(C)C)C1=O 4682463 BJCGMJODOWWOFA-ORFSPIAFSA-N 332.425 3.353 30 40 EGEB Cn1cccc1[C@H]1CCCCCN1S(=O)(=O)c1ccc(C#N)cc1 8314801 GRUQVDQUDMOFHW-GOSISDBHSA-N 343.452 3.203 30 40 EGEB N#CCC[C@@H](C#N)CSc1nnc(N2CCCCC2)n1C1CC1 69520447 BDMNCFDJLMQLBZ-ZDUSSCGKSA-N 330.461 3.139 30 40 EGEB CCOC(=O)c1[nH]c2c(c1C)C(=O)/C(=C\c1cccc(O)c1)CC2 96861695 BSYFJGSOJKJBRV-LCYFTJDESA-N 325.364 3.418 30 40 EGEB CN(C1(C#N)CCCCC1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 97048769 QTHNPOSBKJSWOB-UHFFFAOYSA-N 337.832 3.059 30 40 EGEB COc1ccc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(OC)c1OC 408592756 NSXUOOLKDRCWEW-VCHYOVAHSA-N 346.339 3.171 30 40 EGEB O=C(O)c1ccc(C/N=C/c2cccn2-c2ccc(C(=O)O)cc2)cc1 408932368 WGZOVCXTXXMFLL-FYJGNVAPSA-N 348.358 3.493 30 40 EGEB Cc1cccc(COc2nn(Cc3ccccc3F)c(N)c2C#N)c1 225841254 BDOKYHRMZSWFGN-UHFFFAOYSA-N 336.370 3.412 30 40 EGEB Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)CC#N)C(F)(F)F 195567594 OWTAGXFYXYAUHG-HNNXBMFYSA-N 336.317 3.122 30 40 EGEB O=C1c2ccccc2OC[C@@H]1/N=C(/O)[C@@H]1CCCN1c1ccccc1 330228886 PVNHYJAXTZAVGI-IRXDYDNUSA-N 336.391 3.256 30 40 EGEB CC(C)(C)OC(=O)Nc1nc(-c2ccc(/C(N)=N/O)cc2)cs1 98071498 UERHOGGYEPCACK-UHFFFAOYSA-N 334.401 3.252 30 40 EGEB CCCCCCCCNC(=O)c1cccc(N2C(=O)CCC2=O)c1 269958266 SDPRHRFXRPNBMB-UHFFFAOYSA-N 330.428 3.430 30 40 EGEB C#CCN1C(=O)S/C(=C\c2cc(OC)c(OC)cc2Cl)C1=O 15012735 ISWPCVWAMMKCBR-QPEQYQDCSA-N 337.784 3.027 30 40 EGEB CC(C)S(=O)(=O)c1cccc(C(=O)Nc2sccc2C#N)c1 10253474 MNCSJOJSFMAGSZ-UHFFFAOYSA-N 334.422 3.054 30 40 EGEB C#CCn1/c(=N/C(=O)c2ccccc2OC)sc2cccc(F)c21 100877865 FMSGCPIFIZFANR-ZZEZOPTASA-N 340.379 3.225 30 40 EGEB CC(=O)Nc1ccc(/C=C2/CCc3oc(C(=O)O)c(C)c3C2=O)cc1 41575025 IMJQIEWCPZHHSF-LCYFTJDESA-N 339.347 3.457 30 40 EGEB N#Cc1cc(NS(=O)(=O)c2cc(F)ccc2F)ccc1Cl 10515006 PWEKOGQGJNHYGN-UHFFFAOYSA-N 328.727 3.291 30 40 EGEB N#Cc1ccc(F)c(COC(=O)c2cncc(Br)c2)c1 11150890 HFRZAWNIRFQDGK-UHFFFAOYSA-N 335.132 3.212 30 40 EGEB CC(C)CN(CC(F)(F)F)C(=O)COc1ccc(CC#N)cc1 65622190 ZWGAJXWXYJXVFT-UHFFFAOYSA-N 328.334 3.178 30 40 EGEB C[C@@H](Nc1cnn(-c2ccccc2)c1)C(=O)Nc1cccc(C#N)c1 95942168 SUWHZZHHWHUFPK-CQSZACIVSA-N 331.379 3.183 30 40 EGEB CC(C)COc1ccc(/C=N/NS(=O)(=O)c2ccccc2)cc1 20233497 BCTXSGMPJFFJJY-LDADJPATSA-N 332.425 3.034 30 40 EGEB NC(=O)COc1ccc(/C=N\c2ccccc2Br)cc1 408905565 ZHUGNLVLOPXFHN-NVMNQCDNSA-N 333.185 3.064 30 40 EGEB O=[N+]([O-])c1cc(/C=N/Nc2c(F)c(F)c(F)c(F)c2F)ccc1O 35974015 WOCCRRIXTBLOTJ-RMOCHZDMSA-N 347.199 3.442 30 40 EGEB COC(=O)C1=C(C)N(c2ccc(C)cc2)/C(=C/c2ccncc2)C1=O 408723805 PJPQZDASAUVQMF-SFQUDFHCSA-N 334.375 3.267 30 40 EGEB Cc1cc(C)nc(N/N=C/C2=C(O)C[C@H](c3ccco3)CC2=O)n1 95483460 YFANJFAASISXFL-BEAUZRKQSA-N 326.356 3.043 30 40 EGEB C=C(C)CN(CC)C(=O)[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 97230201 IMWRSYJNQZBBAC-OAHLLOKOSA-N 336.476 3.448 30 40 EGEB CN1C(=O)C[C@@H](C(=O)O)S/C1=N/c1cc(Cl)cc(Cl)c1 100083267 NMSFGLSIKFCNBA-ODBMRUODSA-N 333.196 3.029 30 40 EGEB CN(C)c1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ncnn32)cc1 18195999 KIYUEVQLSILEJF-QGZVFWFLSA-N 337.427 3.002 30 40 EGEB N#Cc1ccc(COC(=O)CC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)c(F)c1 102576416 NZDXNQKKRWLSNS-SNEKZUEESA-N 343.398 3.462 30 40 EGEB N#Cc1ccc(NC(=O)COC(=O)c2ccc(C(F)(F)F)cc2)cc1 3340433 JULJBVKPCZJBRZ-UHFFFAOYSA-N 348.280 3.373 30 40 EGEB O=[N+]([O-])[C@H]1C=CC(O)=C(/C=N/N=C2\C[C@@H](c3ccccc3)N=N2)C1 101581234 PEDGQLJLISSTJL-MMMGYNQTSA-N 325.328 3.385 30 40 EGEB C=CCn1c(SCC(=O)NC2CCCC2)nnc1-c1ccccc1 3563051 YEWBWKBXNXTCLP-UHFFFAOYSA-N 342.468 3.282 30 40 EGEB COC(=O)c1sc(NC(=O)COc2ccccc2C)c(C#N)c1C 4560545 XABUUSYHZFYPBK-UHFFFAOYSA-N 344.392 3.041 30 40 EGEB CNc1nc(SCC(=O)Nc2ccccc2C#N)nc2ccccc12 6787408 IGLBXWZNRIVRIX-UHFFFAOYSA-N 349.419 3.274 30 40 EGEB N#Cc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 15525385 RWQVOCGUFUWPDN-KRWDZBQOSA-N 334.375 3.307 30 40 EGEB Cc1nn(CC(=O)c2sc3ccccc3c2C)c(=O)c(C#N)c1C 8251591 KENTYWXRXJSTSD-UHFFFAOYSA-N 337.404 3.138 30 40 EGEB CCCN(CCC)C(=O)CCC(=O)[C@@H](C#N)c1nc2ccccc2o1 69629739 TYCXULYTYKWMID-CQSZACIVSA-N 341.411 3.433 30 40 EGEB N#Cc1ccc(NC(=O)CSC[C@H]2CCCO2)cc1C(F)(F)F 72499464 SEYPZTBFZHGNIQ-GFCCVEGCSA-N 344.358 3.428 30 40 EGEB N#Cc1c(N2CCN(c3ccccc3)CC2)nsc1-c1cccnc1 46088219 JPSYPJJUINYDSJ-UHFFFAOYSA-N 347.447 3.403 30 40 EGEB C=CCN(c1ccccc1C)S(=O)(=O)c1ccc2c(c1)OCCO2 224818347 ZSKRBURCUUEGLT-UHFFFAOYSA-N 345.420 3.148 30 40 EGEB Cc1cn2c(/C=C3\Cc4c(ccc(O)c4O)C3=O)c(C)nc2s1 584908163 UJADMRBCXQACPC-UXBLZVDNSA-N 326.377 3.246 30 40 EGEB CC[C@]1(C)C[C@](O)(CC/N=C/c2ccc(OC)c(OC)c2)CCO1 4026761 JPFVAGVFSAETKK-DKGLQNEVSA-N 335.444 3.223 30 40 EGEB biogenic CN1/C(=N/c2ccccc2)SC[C@@]1(O)c1ccc([N+](=O)[O-])cc1 1462290 HJGBRCFEUHMIBI-CFBLSMTOSA-N 329.381 3.106 30 40 EGEB C[C@H](Oc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O)C(=O)O 5241998 NKMIJGBEYOBAOT-SYEOYNTFSA-N 328.295 3.294 30 40 EGEB COc1ccc([C@@H](C#N)CC(=O)c2ccc3c(c2)OCO3)cc1OC 1583436 DATWEMXHHHBSKR-CQSZACIVSA-N 339.347 3.313 30 40 EGEB CCCCOc1c(I)cc(C#N)cc1OC 2101986 ZYQPCISJLYWPEV-UHFFFAOYSA-N 331.153 3.350 30 40 EGEB N#CCC/N=C(/Cc1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1 6567085 PKIZIWAZWXPSHT-JZJYNLBNSA-N 333.351 3.417 30 40 EGEB N#CCNC(=O)CN[C@@H](c1ccccc1)c1cccc2ccccc12 96455515 DDBVKHQZNFEXJY-NRFANRHFSA-N 329.403 3.159 30 40 EGEB CC[C@@H](C)c1cc(C(=O)N[C@H](C#N)c2cnn(-c3ccccc3)c2)on1 96423687 ZEAAQRSNTYUSNB-CXAGYDPISA-N 349.394 3.368 30 40 EGEB CC(C)(C)C(=O)Cn1cc(C#N)c(=O)c2cc(Br)ccc21 69629639 OXXSSNJPICDCBE-UHFFFAOYSA-N 347.212 3.251 30 40 EGEB CCSc1nncn1/N=C/c1ccc(COc2ccccc2)o1 36611494 WBAYGESLLSGTEH-VCHYOVAHSA-N 328.397 3.444 30 40 EGEB C=CCNC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(C)cc1 33909892 KEJOUGVNPJGCEB-VBKFSLOCSA-N 326.421 3.130 30 40 EGEB CC[C@@H](C)n1c(C#N)cc(N)c1N1CCN(Cc2ccccc2)CC1 225871872 DNLPPMSZWSSIAY-MRXNPFEDSA-N 337.471 3.235 30 40 EGEB O/C(CN1CCc2cc3c(cc2C1)OCCCO3)=N\c1ccccc1 82058976 GQGJCWGYQYFVOP-UHFFFAOYSA-N 338.407 3.494 30 40 EGEB biogenic CC(C)CC/C(O)=N/S(=O)(=O)c1cnn(Cc2ccccc2)c1 96452602 NLPJSVFUYRAKEO-UHFFFAOYSA-N 335.429 3.013 30 40 EGEB C#CCCCC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1 585089399 KOBYIYMLGIRRJN-GOSISDBHSA-N 327.815 3.341 30 40 EGEB O=C(/C=C/c1cn(C2CCC2)nn1)c1nc(Br)cs1 585135769 ASUCNEQPINDRBM-SNAWJCMRSA-N 339.218 3.118 30 40 EGEB COC(=O)c1ccc(NC(=S)N/N=C/c2ccc(C)cc2C)cc1 138561 ZYKGUEHKCBQDIA-YBFXNURJSA-N 341.436 3.411 30 40 EGEB Cc1ccc(C2(CNC(=O)c3ccc(C#N)cc3)CCOCC2)cc1 16970719 VTXWXVBCFSHZGE-UHFFFAOYSA-N 334.419 3.345 30 40 EGEB C=CCOc1ccc(Br)cc1/C=C1\SC(=N)NC1=O 5517712 BBRDNIOWUVYANO-XFFZJAGNSA-N 339.214 3.153 30 40 EGEB N#Cc1cccc(C(=O)NCCc2ccc(Br)s2)c1 22323592 BXPFYOQJLVHVCE-UHFFFAOYSA-N 335.226 3.355 30 40 EGEB N#Cc1cccc(C(=O)N2CC[C@H](c3noc(-c4ccccc4)n3)C2)c1 238838381 HGPJPAHSNKDMGY-KRWDZBQOSA-N 344.374 3.238 30 40 EGEB N#Cc1cccc(C(=O)NCC2(c3ccc(F)cc3)CCOCC2)c1 49520835 VSCZYRXYKVSYQZ-UHFFFAOYSA-N 338.382 3.176 30 40 EGEB Cc1c(CN2C(=O)CS/C2=C\C(=O)C(C)(C)C)cccc1[N+](=O)[O-] 54174357 DVVTXARZNKHAJK-PXNMLYILSA-N 348.424 3.435 30 40 EGEB C[C@@H](C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1)n1cnc2ccccc21 95350002 FSEVVYIUJCCCAL-QWHCGFSZSA-N 329.363 3.350 30 40 EGEB CCCCCCCNCc1cc(Cl)c(OCC(N)=O)c(OC)c1 105248443 MBLQNCBJWZKDLG-UHFFFAOYSA-N 342.867 3.273 30 40 EGEB N#Cc1ccsc1NC(=O)CN[C@H](c1ccccc1)c1ccccn1 25417908 NFLNTUQRBSQUQF-GOSISDBHSA-N 348.431 3.332 30 40 EGEB N#Cc1ccc(OCC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 44895733 RZUWTRGUNRFYGL-QWHCGFSZSA-N 326.318 3.174 30 40 EGEB C/C(=N\Nc1nc(=O)c(C(C)(C)C)n[nH]1)c1ccc(CC(C)C)cc1 27525726 UVXHDFRFACSAGP-FYJGNVAPSA-N 341.459 3.497 30 40 EGEB COc1ccc(/C=N/Nc2cc(C)nc(-n3nc(C)cc3C)n2)cc1 4616511 IFBWUVGRCCHEGR-YBFXNURJSA-N 336.399 3.042 30 40 EGEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@@H]2c1ccc(F)cc1 18195579 HRJXVTDCLINUDZ-CYBMUJFWSA-N 327.359 3.455 30 40 EGEB Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NCC(=O)NCC#N 97112159 TXZMLORGVKDPOG-SNVBAGLBSA-N 348.859 3.062 30 40 EGEB CC1(C)CC(=O)C2=C(C1)Nc1c(C#N)cnn1[C@@H]2c1cccc(O)c1 44918132 LTALOQMADSRXTF-QGZVFWFLSA-N 334.379 3.118 30 40 EGEB Cc1csc(C(=O)N2CCC[C@@H](COc3cc(C#N)ccn3)C2)c1 1776001300 KHBZVBFURDBLOA-OAHLLOKOSA-N 341.436 3.254 30 40 EGEB C#CCOc1ccc(/C=C2/CCc3c(cnn3C)C2=O)cc1OCC 96032433 AEABBIHJHAYAAP-PTNGSMBKSA-N 336.391 3.043 30 40 EGEB COc1cc(C(=O)Sc2nc(C)ccc2C#N)cc(OC)c1OC 5798790 UZUWQXVQUGRRMZ-UHFFFAOYSA-N 344.392 3.220 30 40 EGEB CC(C)=C[C@@H]1[C@@H](C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)C1(C)C 41507185 YABIVITXGIMWIO-FMKPAKJESA-N 326.444 3.419 30 40 EGEB N#Cc1ccc(OCC(=O)NCCCn2ccc3ccccc32)cc1 41593184 WDYIVXQIGJVVMS-UHFFFAOYSA-N 333.391 3.098 30 40 EGEB COc1ccccc1[C@H](C#N)NC(=O)[C@H]1CCN(C2CCCCC2)C1 79016277 GSLGYJKBABWUFG-YJBOKZPZSA-N 341.455 3.031 30 40 EGEB Cc1ccc(NC(=O)C2CCN(c3ccc(C#N)cn3)CC2)cc1C 23995876 NZLTVBYTHOWTHM-UHFFFAOYSA-N 334.423 3.425 30 40 EGEB COc1cc(C#N)ccc1OCC(=O)N(C1CC1)[C@@H](C)c1ccco1 58283712 FUMAHFQRFMQTSP-ZDUSSCGKSA-N 340.379 3.291 30 40 EGEB Cc1csc([C@@H](C#N)C(=O)COC(=O)c2cc3c(s2)CCC3)n1 7828785 YETGIAJIHAEZOR-NSHDSACASA-N 346.433 3.035 30 40 EGEB Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccs1 409280479 BLHFBFMTQOAAAV-UHFFFAOYSA-N 348.225 3.411 30 40 EGEB Cn1cc(C#N)cc1C(=O)Oc1ccc(OCc2ccncc2)cc1 83763383 SMWWBLXENSQJCK-UHFFFAOYSA-N 333.347 3.090 30 40 EGEB N#Cc1ccc(OC[C@@H](O)CN2CCC[C@@H]2c2ccsc2)cc1 71850383 IIFXTTHDPMJCMI-FUHWJXTLSA-N 328.437 3.197 30 40 EGEB CO/N=C/c1ccc(OS(=O)(=O)c2cc(C)ccc2C)c(OC)c1 17696522 KNMOTIBHUUWGKQ-WOJGMQOQSA-N 349.408 3.060 30 40 EGEB CC1(C)CC(/N=C(\S)NCc2ccc3c(c2)OCO3)CC(C)(C)N1 6378192 OTEGACFAWMCDTE-UHFFFAOYSA-N 349.500 3.100 30 40 EGEB C#CCn1/c(=N/C(=O)c2ccc(C)cc2)sc2cccc(OC)c21 100909829 ZFOGDCCMSYJDEH-VXPUYCOJSA-N 336.416 3.394 30 40 EGEB N#CCCN(Cc1ccco1)C(=O)c1cc(Cl)c2c(c1)OCO2 58185926 TUOXGPOZSXOKPD-UHFFFAOYSA-N 332.743 3.218 30 40 EGEB N#Cc1c(NC(=O)c2ccc3nsnc3c2)sc2c1CCC2 59294254 SCXJUBSZBVZRGK-UHFFFAOYSA-N 326.406 3.365 30 40 EGEB Cc1csc([C@H](C#N)C(=O)CSc2ccc3c(c2)OCCO3)n1 7778586 MHRYHEKPTAUTMW-GFCCVEGCSA-N 346.433 3.191 30 40 EGEB Cc1nscc1C(=O)[C@H](C#N)c1nc(O)c2ccc(Cl)cc2n1 97138745 TUJVOBAMILYQCI-JTQLQIEISA-N 344.783 3.244 30 40 EGEB C/N=C1/S/C(=C/c2cccn2-c2ccc(OC)cc2)C(=O)N1C 408930547 YKTRQZDJFVNLNH-KCWKZLLFSA-N 327.409 3.018 30 40 EGEB C#CCCCCCC(=O)N=c1nc(-c2cccnc2Cl)[nH]s1 585125263 LUYMIUWQOBTCCR-UHFFFAOYSA-N 334.832 3.198 30 40 EGEB COc1ccc([C@H]2NC(=S)NC(C)=C2C(C)=O)c2ccccc12 5950321 AGTJHYXKFCZKKL-QGZVFWFLSA-N 326.421 3.230 30 40 EGEB COc1cc(/C=N/O)cc(Cl)c1OCC(=O)Nc1ccccc1 13747420 JQYOXZZGCLLWEE-GIJQJNRQSA-N 334.759 3.174 30 40 EGEB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)/N=C/c1ccc(OC)cc1 19878512 PABBTEGCPNDYHY-MRUVXERFSA-N 336.391 3.380 30 40 EGEB CCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCOCC1 4170447 HTRTVEISQPXMEU-UHFFFAOYSA-N 334.423 3.457 30 40 EGEB COC(=O)c1ccc(C(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1 575362502 RIPHOWQKDDPROL-UHFFFAOYSA-N 332.171 3.489 30 40 EGEB CCc1c(C#N)c(N)nc2sc(C(=O)c3ccc(C)cc3)c(N)c12 20840454 HAIHSKVIEPSDBH-UHFFFAOYSA-N 336.420 3.434 30 40 EGEB COc1cc(C#N)ccc1OCCCC(=O)Nc1scnc1C 79108834 RONSUMILNKZVDM-UHFFFAOYSA-N 331.397 3.130 30 40 EGEB C[C@H](OC(=O)c1cccc(Cl)c1N)C(=O)Nc1sccc1C#N 12567353 XNQAWCVHAYEZEA-QMMMGPOBSA-N 349.799 3.039 30 40 EGEB COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NCc1ccccc1Cl 8811514 VMQDLHQOZODZPG-VXLYETTFSA-N 349.774 3.389 30 40 EGEB N#Cc1ccccc1S(=O)(=O)N[C@H]1CCSc2c(F)cccc21 12738133 IYVKPOPCHVBKPI-AWEZNQCLSA-N 348.424 3.213 30 40 EGEB C(=N/OCc1ccccc1)\c1c[nH]nc1-c1ccc2c(c1)OCCO2 10842861 ZAYOPNIOBZSHQL-CIAFOILYSA-N 335.363 3.399 30 40 EGEB CCOc1cc(/C=N\OCC(=O)Nc2ccc(F)cc2)ccc1OC 108893224 NKNIBFNSWKJWSX-JAIQZWGSSA-N 346.358 3.222 30 40 EGEB C=CCNC(=O)c1cc(Br)c(Br)s1 12809410 KGSPPTSHHNYGRH-UHFFFAOYSA-N 325.025 3.189 30 40 EGEB C=C(Br)CNC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 49296943 GEGREUOIPKIEMV-UHFFFAOYSA-N 326.238 3.154 30 40 EGEB COc1ccc2[nH]cc(C[C@@H](C#N)C(=O)NCc3ccccc3)c2c1 61721059 VGRKWJHIWJNBDJ-HNNXBMFYSA-N 333.391 3.175 30 40 EGEB C[C@@H]1CN([C@@H](CNCC(C)(C)CCC#N)c2cccs2)CCO1 72298327 LJMSPMVVDTWZSA-CVEARBPZSA-N 335.517 3.429 30 40 EGEB CCOc1ccc2ccccc2c1/C=N\N1C(=O)CSC1=S 409341745 BWEMYVRGOVXJPW-MFOYZWKCSA-N 330.434 3.433 30 40 EGEB O=C(NCC#Cc1ccccc1)N[C@@H]1CCOC2(CCCCC2)C1 95426865 WROLYNRXHSDHNR-GOSISDBHSA-N 326.440 3.219 30 40 EGEB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1sc2c(c1C#N)CCC2 78273180 AKFFRONOAKEOGA-QFYYESIMSA-N 340.404 3.275 30 40 EGEB COc1cccc([C@]2(O)CC[C@@H]3CN(Cc4ccc(C#N)cc4)C[C@@H]32)c1 13568924 KMCCQEQBARDROD-BVYCBKJFSA-N 348.446 3.296 30 40 EGEB COC[C@@H](C)n1c(C)cc(C(=O)COc2cccc(C#N)c2)c1C 6401173 TTZFTCCIMQFIGL-CQSZACIVSA-N 326.396 3.446 30 40 EGEB Cc1ccccc1NC(=O)C[C@@H]1S/C(=N/c2ccccc2)NC1=O 6896019 IRHISQBFTLFQRG-HNNXBMFYSA-N 339.420 3.243 30 40 EGEB CC(=O)Nc1nc(CNc2cc(C#N)ccc2OC(C)C)cs1 78987624 FZEWTYNXGSYOHQ-UHFFFAOYSA-N 330.413 3.372 30 40 EGEB COc1ccccc1[C@H](CNc1oc(C(C)C)nc1C#N)N(C)C 27664461 IUYIVMGGCXCNGW-HNNXBMFYSA-N 328.416 3.393 30 40 EGEB COc1ccc(CC(=O)OCc2cc(C#N)ccc2F)cc1OC 29867762 AUAAECQUXSWACK-UHFFFAOYSA-N 329.327 3.000 30 40 EGEB Cc1ccc(N2CC[C@@H](N[C@H](C)c3ccc(OCC#N)cc3)C2=O)cc1 95404409 BSPIDVVDIRSPGK-OXQOHEQNSA-N 349.434 3.354 30 40 EGEB CN(Cc1ccccc1Cl)C[C@H](O)COc1ccc(CC#N)cc1 14200892 WWNOEQQIHZXSIN-KRWDZBQOSA-N 344.842 3.278 30 40 EGEB C=CCn1c(SCC(=O)N[C@](C)(C#N)C(C)C)nc2ccccc21 5618958 IYEFWTWAFASSEL-GOSISDBHSA-N 342.468 3.369 30 40 EGEB Cc1nccn1[C@H]1CCCN(C(=O)c2cc3ccccc3n2CC#N)C1 69901408 XARWBGHLBGTDBM-KRWDZBQOSA-N 347.422 3.147 30 40 EGEB Cc1ncc(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)c(C)n1 95990692 JDOUJHYVHRSHST-UHFFFAOYSA-N 348.328 3.170 30 40 EGEB COc1ccc([C@@H](C#N)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1 66088525 ITXWNGCYHJQWFP-OAHLLOKOSA-N 341.363 3.211 30 40 EGEB COC[C@@]1(C#N)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218360618 FKTFUAWAFDBREG-QYZOEREBSA-N 341.432 3.091 30 40 EGEB Cc1nc(C)c(S(=O)(=O)/N=C(\O)C(C)(C)c2cccs2)s1 83150800 ASXNOBXPJZVQNM-UHFFFAOYSA-N 344.483 3.444 30 40 EGEB C=CCc1cccc(C(C)C)c1NC(=O)N1CC(NC(=O)C2CC2)C1 252503286 VAROCMLSRWQGRZ-UHFFFAOYSA-N 341.455 3.281 30 40 EGEB C#CCN(CC(=O)NCc1ccccc1F)[C@H]1CCc2ccccc21 59017951 NIQLYUPKQZRNPR-FQEVSTJZSA-N 336.410 3.065 30 40 EGEB Nn1cnnc1N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 6329776 BIVHZQJSRABFBE-UBKPWBPPSA-N 337.170 3.005 30 40 EGEB C#CCn1c([C@H]2CC(=O)N(c3ccccc3F)C2)nc2ccccc21 4033458 UTMAIBSTUUUEPH-AWEZNQCLSA-N 333.366 3.329 30 40 EGEB N#Cc1cccnc1OCC1CCN(c2cnc3ccccc3n2)CC1 585530199 JJXZBJRSAFNTHP-UHFFFAOYSA-N 345.406 3.192 30 40 EGEB CCOC(=O)C1=C2CCCC[C@@H]2[C@H](c2ccccc2)C(C#N)(C#N)C1=O 507109 REIBZBDQMVFGEB-WMZOPIPTSA-N 348.402 3.436 30 40 EGEB CCN1C(=O)/C(=N\Nc2ccc(Cl)c(C(=O)O)c2)c2ccccc21 103461891 ZIWBGJOASMUPOP-HKWRFOASSA-N 343.770 3.221 30 40 EGEB C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)OS(C)(=O)=O 2048622 AOLCRWRFPJKYJX-HNNXBMFYSA-N 329.421 3.251 30 40 EGEB CCN(CC)c1ccc(/N=C2/C=CC(=O)C(NC(C)=O)=C2)c(C)c1 104321259 CHGIHVWOAFUQLD-QNGOZBTKSA-N 325.412 3.073 30 40 EGEB N#Cc1ccc(CCC(=O)N2CCC[C@@H]2c2noc(C3CC3)n2)cc1 84397940 SRZHKJTTYWISHY-MRXNPFEDSA-N 336.395 3.115 30 40 EGEB C[C@@H](OC(=O)c1cc2c(s1)CCC2)C(=O)Nc1ccc(C#N)cc1 4462390 UVQPEDNWXKWHFZ-LLVKDONJSA-N 340.404 3.292 30 40 EGEB CN(Cc1ccccc1)C(=O)CCNc1ccc(Cl)c(C#N)n1 67371065 BRBPYBISMMVNNC-UHFFFAOYSA-N 328.803 3.067 30 40 EGEB C=C(C)CN1CCC(NC(=O)N[C@@H]2CCCOc3ccccc32)CC1 71879845 GQGGFQUTDFZKHX-GOSISDBHSA-N 343.471 3.240 30 40 EGEB Cc1cc(/C=C2/CS(=O)(=O)c3ccccc3C2=O)cc(C)c1O 96792631 RMDPSXYIBNHMPU-ZROIWOOFSA-N 328.389 3.063 30 40 EGEB N/C(Cn1cnc2ccccc21)=N/OCc1ccc(OC(F)F)cc1 97165730 ZNCBNPZWCAECIE-UHFFFAOYSA-N 346.337 3.127 30 40 EGEB COc1ccc2c(c1)OC(C)(C)CN(c1nnc(C)c(C)c1C#N)C2 581719486 SKPHRTTUXYVYAE-UHFFFAOYSA-N 338.411 3.151 30 40 EGEB C[C@H](OC(=O)c1cc2ccccc2o1)C(=O)NC1(C#N)CCCCC1 4332433 DTBJBRVSDZLDCZ-ZDUSSCGKSA-N 340.379 3.321 30 40 EGEB N#Cc1ccc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)cc1 1852973583 YEOWKNCKTXOTDB-UHFFFAOYSA-N 333.382 3.032 30 40 EGEB N#Cc1ccnc(OCC2CCN(c3ncc(Cl)cc3F)CC2)c1 1888849820 SPNWPGRFMFRXNE-UHFFFAOYSA-N 346.793 3.436 30 40 EGEB N#Cc1c(F)cccc1N1CCN(C[C@H]2CC2(Cl)Cl)CC1 30968053 WUWXHZVYIGRARE-LLVKDONJSA-N 328.218 3.013 30 40 EGEB COc1ccccc1NC(=S)N/N=C/c1ccc(N(C)C)cc1 1462828 WVEPCXOGAONBDH-LDADJPATSA-N 328.441 3.082 30 40 EGEB CN(Cc1ccc(Cl)s1)C(=O)COC(=O)c1ccc(C#N)cc1 23221067 PDVNCIXNEYINJR-UHFFFAOYSA-N 348.811 3.089 30 40 EGEB CC(C)Oc1ccc(C#N)cc1NCC(=O)NCc1cccs1 58136899 MZAQQGYHFVINJA-UHFFFAOYSA-N 329.425 3.135 30 40 EGEB COc1ccc(NC(=O)[C@H](C#N)C(=O)C[C@H]2CCc3ccccc32)cc1 102752390 VSFSLXWXORNDSR-DNVCBOLYSA-N 348.402 3.463 30 40 EGEB COc1ccc(OC)c(C[C@@H](C#N)C(=O)Nc2ccccc2F)c1 57523324 IROQWLYXUSZXII-ZDUSSCGKSA-N 328.343 3.164 30 40 EGEB CCCCOC(=O)c1ccc(-c2ccc(/C=N\n3cnnc3)o2)cc1 409063278 JVMMKXQEVMCHBI-NHDPSOOVSA-N 338.367 3.377 30 40 EGEB COc1cc(/C=N/c2cccc(-c3n[nH]c(=N)s3)c2)ccc1O 408718099 JJCZVFLCKJGKEH-GIJQJNRQSA-N 326.381 3.082 30 40 EGEB N#Cc1c(I)nc2c(c1C#N)CCCCCC2 15109762 SAPUWUVZGUHZMS-UHFFFAOYSA-N 337.164 3.089 30 40 EGEB C#CCN(Cc1ccc(C)cc1)C(=O)c1csc(-c2cnccn2)n1 69570162 HCPSDUWIGUHQDM-UHFFFAOYSA-N 348.431 3.184 30 40 EGEB O=S(=O)(/N=C(\O)C1=CCCCC1)c1ccc(C(F)(F)F)cn1 97103754 OXBJYVZGJBMSMA-UHFFFAOYSA-N 334.319 3.246 30 40 EGEB C=C(Cl)CNC(=O)Nc1cc(OC)c(OC)cc1Br 77282980 INDCZLNQWMDESE-UHFFFAOYSA-N 349.612 3.340 30 40 EGEB COc1ccc(CCC(=O)Nc2ccc(C#N)cc2)c(OC)c1OC 54856387 VSKIAMWKYHTKDN-UHFFFAOYSA-N 340.379 3.155 30 40 EGEB Cc1cc(NC(=O)CCC(=O)c2cc(C)sc2C)n(CCC#N)n1 58289358 WVBLUBXBMPCVDR-UHFFFAOYSA-N 344.440 3.385 30 40 EGEB CCN=C1S[C@H](CC(=O)Nc2ccc(Cl)cc2)C(=O)N1CC 2032946155 LDWJLKZUBFBIGU-GFCCVEGCSA-N 339.848 3.008 30 40 EGEB COc1ccc([C@H](C)NC(=O)Cn2cc(C#N)c3ccccc32)cc1 85558647 NTOAYWGAIHQNNP-AWEZNQCLSA-N 333.391 3.399 30 40 EGEB Cc1cccc(OCCN(C)CCC(=O)Nc2sccc2C#N)c1 32806039 RTWLRBJHSUSOFQ-UHFFFAOYSA-N 343.452 3.268 30 40 EGEB CCCS(=O)(=O)/N=C(\O)c1ncoc1-c1ccccc1Cl 78948457 HGWZOOQLRKLQCB-UHFFFAOYSA-N 328.777 3.039 30 40 EGEB C[C@H](S[C@H]1CCCN(c2cnn(C)c2)C1=O)c1ccc(C#N)cc1 78936086 DOQDBIYAYFVCAP-GUYCJALGSA-N 340.452 3.282 30 40 EGEB CO/N=C(\Cn1ncc(Cl)c(Cl)c1=O)c1ccc(Cl)cc1 1386885 KTWJUKOGWPAVGH-WOJGMQOQSA-N 346.601 3.254 30 40 EGEB Cn1ccnc1[C@H](NC(=O)Nc1ccc(C#N)cc1)c1ccc(F)cc1 12535686 DTNHYYNLBMCAKS-QGZVFWFLSA-N 349.369 3.342 30 40 EGEB Cc1cccc2c1N(CCOc1ccc(Cl)cc1)C(=O)/C2=N\O 101101765 QDWZDVVISOVIIJ-CYVLTUHYSA-N 330.771 3.252 30 40 EGEB COC(=O)C1=C(C)N(CCC(C)C)C(=O)N[C@@H]1c1cccc(C#N)c1 10354006 KTRQBSYYKXAZLB-QGZVFWFLSA-N 341.411 3.118 30 40 EGEB COc1ccc(/C=N\NC(=S)Nc2ccccc2)c(OC)c1OC 107174941 RSMGOJOYNVIKHB-WQRHYEAKSA-N 345.424 3.033 30 40 EGEB COc1cc(OC)c(OC)cc1CNc1ncc(C#N)cc1Cl 65591080 ZLUJNLDRELAARH-UHFFFAOYSA-N 333.775 3.245 30 40 EGEB CCc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C#N)CC2=O)cc1 8262184 GFFQOSDSCGNQEJ-INIZCTEOSA-N 333.391 3.112 30 40 EGEB C[C@@H](Oc1ccccc1Cl)C(=O)N(CCC#N)Cc1cccnc1 69388931 AJBPHLPQGKSKFW-CQSZACIVSA-N 343.814 3.445 30 40 EGEB Cc1cccn2cc(CC(=O)Nc3sc4c(c3C#N)CCC4)nc12 69443166 QKENLUJXTGPAHE-UHFFFAOYSA-N 336.420 3.246 30 40 EGEB Cc1nc(NC(=O)c2ccc(CN(C)C)cc2)sc1SCC#N 69444174 KLBIKCBGAIXMDL-UHFFFAOYSA-N 346.481 3.381 30 40 EGEB CC[C@H](C#N)Sc1nnc(-c2ccccn2)n1Cc1ccco1 127851839 XEFQMOKRHUKXRM-CYBMUJFWSA-N 325.397 3.376 30 40 EGEB COc1cc(N=C(O)N[C@H]2CCCC[C@@H]2O)cc(OC)c1C(C)C 330704128 JNXSBVOWFMTOLV-KBPBESRZSA-N 336.432 3.266 30 40 EGEB O=S(=O)(Cc1ccc(Br)cc1)/N=C(\O)C1=CCCC1 96473985 IYEULAWGXCUKSF-UHFFFAOYSA-N 344.230 3.346 30 40 EGEB C[C@@H](NC[C@@H]1CCCO[C@H]1c1cn[nH]c1)c1ccc(C#N)c(F)c1 599083578 SGDZJIOUMXXFCX-HNJNHCNJSA-N 328.391 3.239 30 40 EGEB C=CCN(C)C(=O)Nc1cccc(CS(=O)(=O)c2ccccc2)c1 157400545 FZKNFHJFYOXDSW-UHFFFAOYSA-N 344.436 3.310 30 40 EGEB Cc1ccc(NC(=O)C[C@@H]2S/C(=N/C(C)C)N(C(C)C)C2=O)cc1 101127924 SPYSRFPNYGKKJX-MJWGMMHASA-N 347.484 3.440 30 40 EGEB CCc1ccc(/C(C)=N/NS(=O)(=O)c2ccc(OC)cc2)s1 372978 AIEKWNLSTMFWLZ-LFIBNONCSA-N 338.454 3.022 30 40 EGEB N#Cc1c(NC(=O)COC(=O)c2ccccc2)sc2c1CCCC2 6065617 UYARKGXVUQOKLQ-UHFFFAOYSA-N 340.404 3.294 30 40 EGEB Cn1cc(CCC(=O)NC2(C#N)CCSCC2)c2ccccc21 95440083 UKOHUJYAYAIRJG-UHFFFAOYSA-N 327.453 3.016 30 40 EGEB Cc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(C)c1O 7893669 WTTRLFUHUVREOU-LZYBPNLTSA-N 330.300 3.271 30 40 EGEB C=C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)Nc1cccc(SC)c1 8300044 UVGODZFGOFTLTJ-OFQRWUPVSA-N 331.485 3.426 30 40 EGEB biogenic,in-vitro CC(C)(C)OC(=O)NCC1CCN(Cc2ccc(C#N)cc2)CC1 58279165 BXTHMKMPYUXPHT-UHFFFAOYSA-N 329.444 3.295 30 40 EGEB N#Cc1ccccc1N1CCCN(C(=O)c2ccc3c(c2)CCC3)CC1 46849897 UXXFGWXZRGZOPI-UHFFFAOYSA-N 345.446 3.399 30 40 EGEB COC(=O)c1ccc(/C=C2\Oc3cc(OC(C)=O)ccc3C2=O)cc1 13769856 RXQLZNYQRHIOSV-MFOYZWKCSA-N 338.315 3.015 30 40 EGEB biogenic N#CCCn1ncc2c(N[C@H]3CCC[C@@H](C(F)(F)F)C3)ncnc21 97200316 CRLACMKULZAREU-MNOVXSKESA-N 338.337 3.273 30 40 EGEB N#Cc1ccc(C(=O)NCc2ccc(OCC(F)(F)F)cc2)cc1 22418004 GUSYCQYOCIMUNU-UHFFFAOYSA-N 334.297 3.429 30 40 EGEB C=CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(OC)c(OC)c1 65591335 WUPRAJORSLMRBX-UHFFFAOYSA-N 336.391 3.404 30 40 EGEB COc1ccccc1N(CCC#N)C(=O)CSc1nc(C)cs1 7195785 JLDZMZKZQZEFHU-UHFFFAOYSA-N 347.465 3.499 30 40 EGEB O=C(O)c1ccc(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)s1 7333305 XUNPYHCHXNXUNU-ZZXKWVIFSA-N 343.404 3.179 30 40 EGEB CC(C)(C)OC(=O)Nc1ccnc([C@@H](C#N)C(=O)OC(C)(C)C)c1 91352974 GRLAGFIOBSOJCO-GFCCVEGCSA-N 333.388 3.377 30 40 EGEB N#CCCCOc1cccnc1NS(=O)(=O)/C=C/c1ccccc1 69677560 XFILSLFIWJDMSD-GXDHUFHOSA-N 343.408 3.177 30 40 EGEB N#Cc1ccccc1OCCNC1(c2ccc(F)cc2)CCOCC1 71886834 UJZAMYBKAFJHBO-UHFFFAOYSA-N 340.398 3.372 30 40 EGEB Cn1cc(C(=O)Nc2cccc(OCc3ccccc3C#N)c2)cn1 76018442 XFCSJZDLQZQXTR-UHFFFAOYSA-N 332.363 3.123 30 40 EGEB Cc1ccc(S(=O)(=O)OC[C@H]2CCN(Cc3ccccc3)C2)cc1 34464829 RBXGJNNTFJVRQU-SFHVURJKSA-N 345.464 3.222 30 40 EGEB C=CCOC[C@H]1c2nnn(CC3CC3)c2CCN1Cc1ccsc1 96060589 ZFMDOSHLCAVIIT-KRWDZBQOSA-N 344.484 3.052 30 40 EGEB O=S(=O)(/N=C(\O)c1ccc(Br)s1)C1CCCC1 96461308 YFYBJQOOUWSYAG-UHFFFAOYSA-N 338.248 3.088 30 40 EGEB CC[C@H](C#N)Oc1cccc(CNC(=O)N2C[C@@H]3CC=CC[C@H]3C2)c1 245281313 APVUDXQJCQCWAD-OKZBNKHCSA-N 339.439 3.475 30 40 EGEB N#CCN1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 69661866 FHCDTZVHTLXWAZ-CYBMUJFWSA-N 347.216 3.083 30 40 EGEB COc1ccc(OC)c(NC(=O)c2oc3c(c2C)/C(=N/O)CCC3)c1 16806021 GXVULFHXQISGNU-UDWIEESQSA-N 344.367 3.372 30 40 EGEB CSc1nc(NCCCN(C)C)c(C#N)c(-c2ccccc2)n1 31773892 SIQBXVHAIKCZGF-UHFFFAOYSA-N 327.457 3.101 30 40 EGEB Cc1ccccc1CN1C(=O)[C@H](C)S/C1=N/N=C/c1ccco1 4955358 QTIPLPVJAAOVDO-NEQJIUGGSA-N 327.409 3.442 30 40 EGEB O=C1Oc2ccc(Cl)cc2N/C1=C/C(=O)c1cccc([N+](=O)[O-])c1 100820663 NBHIEORUQOHYLL-MDWZMJQESA-N 344.710 3.346 30 40 EGEB C=CCNC(=O)[C@@H]1[C@H]2CC[C@@]3(CC(=O)c4cc(Cl)ccc4O3)[C@@H]21 100123833 VBHRUMJEJJKFRF-NEDOFYQNSA-N 331.799 3.002 30 40 EGEB N#Cc1cnc(SCc2ccc(OCc3ccccn3)cc2)nc1N 58268502 GOOUVRNHEFBWEI-UHFFFAOYSA-N 349.419 3.197 30 40 EGEB COc1cc(C#N)cc(Cl)c1OCC(=O)N(C)Cc1ccccc1 13002380 FJWHUUSDGXHPQI-UHFFFAOYSA-N 344.798 3.258 30 40 EGEB CCN(Cc1cccc2c1OCO2)C(=O)C1(c2cccc(C#N)c2)CC1 95430393 GGAOTSWKFLAVLB-UHFFFAOYSA-N 348.402 3.367 30 40 EGEB N#Cc1ccc(CN2CCC[C@H](c3noc(C4CC4)n3)C2)c(F)c1 72299967 BEKBVSVYQKRJQE-HNNXBMFYSA-N 326.375 3.337 30 40 EGEB CCOC(=O)Nc1ccc(NC2CCN(C(C)C)CC2)cc1C#N 97238361 ZJVVBTFAVKXYHN-UHFFFAOYSA-N 330.432 3.411 30 40 EGEB COc1cccc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c1OC 409050515 WSBBRLXHFWTOTD-CGOBSMCZSA-N 348.218 3.418 30 40 EGEB COc1cccc(NC(=O)/N=C(\c2ccccc2)N2CCOCC2)c1 226753124 ATYFVRDQXTZNFC-DYTRJAOYSA-N 339.395 3.006 30 40 EGEB CSc1nc(-c2ccc(Cl)cc2Cl)c(C#N)c(=O)n1C 32228183 NEFCTOOCJGPSAW-UHFFFAOYSA-N 326.208 3.348 30 40 EGEB Cc1ccc(S(=O)(=O)/N=C(\O)[C@@H]2C[C@@H]2c2ccco2)cc1N(C)C 96475766 AZEMSEPEEOSNRW-UONOGXRCSA-N 348.424 3.103 30 40 EGEB COc1ccc(C2=NO[C@@](C)(C(=O)Nc3ccc(C#N)cc3)C2)cc1 96192777 SLAZVDRGZSAKCE-LJQANCHMSA-N 335.363 3.089 30 40 EGEB CC(C)N(CC#CCNC(=O)CCSc1ccccc1)C(C)C 85470541 VPKQGWDYWHEOGH-UHFFFAOYSA-N 332.513 3.407 30 40 EGEB N#Cc1cc(N2CC[C@@H]3C[C@@H]3C2)cc(N2CC[C@H]3C[C@H]3C2)c1[N+](=O)[O-] 596509235 HLKVREIFYFQFAT-CLWVCHIJSA-N 338.411 3.159 30 40 EGEB O=S(=O)(NC1CCCC1)c1ccc(N/N=C/[C@H]2CC=CCC2)nc1 46100221 YJBNYRYJIDUXNT-BXUJETTOSA-N 348.472 3.057 30 40 EGEB Nc1ccc(Cl)c[n+]1/C=C/C(=O)c1ccc(Br)cc1 8378752 QGJQIZWRJPCRSO-BQYQJAHWSA-O 338.612 3.326 30 40 EGEB N#Cc1ccc(NC(=O)CNc2ccc(F)c([N+](=O)[O-])c2)cc1Cl 6543034 UFUGOWHJHUQLEQ-UHFFFAOYSA-N 348.721 3.310 30 40 EGEB O=c1c2[nH]c3ccccc3c2ncn1/N=C/c1c[nH]c2ccccc12 499312 MUEOPMGWLIWVAP-LSHDLFTRSA-N 327.347 3.241 30 40 EGEB N#CCOc1ccc(CC(=O)N[C@H]2CCCOc3ccccc32)cc1 72275503 CLGPLFPTRNMUES-SFHVURJKSA-N 336.391 3.162 30 40 EGEB COc1ccc(C(=O)C[C@H](C#N)c2ccc3c(c2)OCO3)cc1OC 6411669 OPEGUAZSDPKRJX-CQSZACIVSA-N 339.347 3.313 30 40 EGEB Cc1nn(Cc2cc(-c3ccc(Cl)cc3)no2)c(=O)c(C#N)c1C 58144879 CMIDGFMBJXTVBE-UHFFFAOYSA-N 340.770 3.089 30 40 EGEB N#Cc1ccc(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)cc1 58267182 XQAFFXBCGYBXKL-MRXNPFEDSA-N 339.464 3.262 30 40 EGEB Cc1cccc(OCC(=O)[C@@H](C#N)c2nnc(-c3ccccc3)n2C)c1 58282309 VMASIOBMNYHTDH-QGZVFWFLSA-N 346.390 3.046 30 40 EGEB Cn1cc(S(=O)(=O)/N=C(\O)[C@@H]2CC2(Cl)Cl)c2ccccc21 95446120 YWLHYTUXPPSUBK-VIFPVBQESA-N 347.223 3.017 30 40 EGEB C[C@H](NC1CCN(c2ccc(C#N)cn2)CC1)c1ccc(C#N)cc1 95987873 GACALYDLOBNIHN-HNNXBMFYSA-N 331.423 3.145 30 40 EGEB C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@@H](C)OC[C@H]1C 95953643 JQCNPJBXLSNPAA-KFWWJZLASA-N 347.484 3.129 30 40 EGEB COc1cccc([C@H](C#N)NC(=O)c2nccc3ccccc23)c1OC 75583906 XWCXDDDKOKNXNO-INIZCTEOSA-N 347.374 3.247 30 40 EGEB C=CCOc1ccc(/C=C2\C(=O)N(CC=C)C(C)=C2C(=O)OC)cc1 408891895 DYAJYIVOKDKYJE-LGMDPLHJSA-N 339.391 3.110 30 40 EGEB CCc1ccc([C@H]2[C@H](C=O)[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1 218648795 JKOZAAVSJCUHMX-FHWLQOOXSA-N 328.433 3.312 30 40 EGEB Cc1ccc(N(CCC#N)C(=O)c2ccc(-n3cncn3)c(F)c2)cc1 96426312 CMGIMBKFRSPGFR-UHFFFAOYSA-N 349.369 3.275 30 40 EGEB Cc1ccccc1CN/N=C1/C(=O)Nc2cc(N3CCCC3)ccc21 43956295 DMUFLWNFCUZDTG-UHFFFAOYSA-N 334.423 3.041 30 40 EGEB CCN(CC)S(=O)(=O)c1ccc(N/N=C(\C)CCC(C)C)nc1 6408043 GXSFVZXDBUUBAZ-NBVRZTHBSA-N 340.493 3.336 30 40 EGEB CN(C(=O)CN1CCC[C@H]1c1nc2ccccc2s1)C(C)(C)C#N 30965383 INGPPXNJGVLINE-AWEZNQCLSA-N 342.468 3.194 30 40 EGEB O=S(=O)(c1ccccc1)N(C[C@H]1CO1)c1cccc2ccccc12 380653 VAUAWMARBANNGG-INIZCTEOSA-N 339.416 3.434 30 40 EGEB C=CCNC(=O)C[C@@H]1CCN(C(=O)Nc2ccccc2)C[C@@H]1CC 6137853 OJNJHMPUZFSVIQ-HOTGVXAUSA-N 329.444 3.259 30 40 EGEB biogenic,in-vitro COc1ccc(OCC(=O)N(CCC#N)c2ccccc2F)cc1 3236289 GVOOKLBFTMLJNT-UHFFFAOYSA-N 328.343 3.160 30 40 EGEB C#CCN1CCC(C(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)CC1 48264937 HSQFYVHZKGCGPD-CYBMUJFWSA-N 338.373 3.228 30 40 EGEB N#CC1CCN(C(=O)NCc2ccc(OC(F)(F)F)cc2)CC1 58313448 OSHNEXLFAHUJLY-UHFFFAOYSA-N 327.306 3.030 30 40 EGEB CCCSCC(=O)[C@@H](C#N)c1nc(O)c2ccc(Cl)cc2n1 58308543 FKMMSPOJYBOPGH-LLVKDONJSA-N 335.816 3.308 30 40 EGEB C[C@@H](Nc1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1cccc(C#N)c1 10769465 BAKFPNCLNFLQNT-CYBMUJFWSA-N 348.406 3.346 30 40 EGEB CC(C)[C@@](C)(C#N)NC(=O)Cn1c(C(F)(F)F)nc2ccccc21 29299979 HWNIODJCJZVKOH-OAHLLOKOSA-N 338.333 3.110 30 40 EGEB COc1ccc(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)c(O)c1 4044989 NHIYSMJCFMKYPL-VMPITWQZSA-N 344.363 3.323 30 40 EGEB biogenic CC[C@@H](CC#N)NC(=O)Nc1ccccc1CN1C[C@H](C)O[C@H](C)C1 97377722 NIKVBZDRMOWLTA-UXLLHSPISA-N 344.459 3.110 30 40 EGEB C=C(C)COc1cccc(NC(=O)N[C@H](C)C(=O)NC(C)(C)C)c1 67318772 IOVOGGHZAAXWLG-CYBMUJFWSA-N 333.432 3.066 30 40 EGEB CSc1ccsc1C(=O)NCCNc1cccc(F)c1C#N 69697360 CKLSSLDJCAWVPG-UHFFFAOYSA-N 335.429 3.323 30 40 EGEB CC(C)[C@@](C)(C#N)NC(=O)CNc1ccccc1SC[C@H](C)C#N 69704053 RRZHBFJYTRZTOP-RDTXWAMCSA-N 344.484 3.405 30 40 EGEB COC(=O)c1cccc(Cc2cnc(NC(=O)C(C)(C)C#N)s2)c1 69951863 RHAPAHJRBAXMTA-UHFFFAOYSA-N 343.408 3.009 30 40 EGEB C=CCN1C(=O)/C(=C\c2ccn(-c3ccccc3)n2)SC1=S 98053270 CEHQLAFOJJOCDA-SDNWHVSQSA-N 327.434 3.260 30 40 EGEB CN(c1ccc(CNc2cc(Cl)ccc2C#N)cc1)S(C)(=O)=O 72290388 IDKOVPCNWFGLLX-UHFFFAOYSA-N 349.843 3.220 30 40 EGEB COc1cc([C@@H]2CC(=O)OC3=C2C(=O)CC(C)(C)C3)cc(OC)c1O 524731413 WQSFHKYZXFETEH-NSHDSACASA-N 346.379 3.083 30 40 EGEB biogenic Cc1ccc(S(=O)(=O)[C@@H]2[C@H](C=O)[C@@H]2c2ccc(Cl)cc2)cc1 218634939 JEMOGBHFOPSGNU-IXDOHACOSA-N 334.824 3.403 30 40 EGEB N#CC1(C#N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 218341238 PQLQJQAZOTUGKG-HOTGVXAUSA-N 342.807 3.313 30 40 EGEB CCOc1ccccc1-n1nc(C#N)c(N2CCc3ccccc3C2)n1 256047836 OZSVEWAQKUDDJB-UHFFFAOYSA-N 345.406 3.100 30 40 EGEB N#Cc1ccc(C[C@H](C#N)C(=O)Nc2cccc(-n3ccnc3)c2)cc1 390833297 FTTMMNIJYQJCGD-QGZVFWFLSA-N 341.374 3.065 30 40 EGEB COC(=O)[C@]12CC(C)(C)C[C@](C)(CC3=C1C(=O)/C(=N/N)C(C)(C)C3)C2 103750345 FEZZIAMQVRGBHX-KBDKOVNHSA-N 346.471 3.376 30 40 EGEB N#CC1(NC(=O)c2ccc(Sc3ccccc3Cl)nn2)CC1 78964646 LJKRSCUIAHVRAC-UHFFFAOYSA-N 330.800 3.067 30 40 EGEB CC1=CC(=O)[C@@H](C(=O)/C=C/c2ccc(-c3ccc(F)cc3)o2)C(=O)O1 24083553 UEWASJLWBIUKFZ-JHTBKMLMSA-N 340.306 3.314 30 40 EGEB O=S(=O)(/N=C(\O)CC[C@@H]1CCCO1)c1ccc(Cl)cc1F 58168872 QVXKLHSBIOXMFZ-JTQLQIEISA-N 335.784 3.084 30 40 EGEB CC1=CC(=O)[C@@H](C(=O)/C=C/c2ccc(OCCC(C)C)cc2)C(=O)O1 3543697 LFRBXEMUIZPQHJ-MBNRZODZSA-N 342.391 3.340 30 40 EGEB COc1cc(/C=N/Nc2ncnc3sc(C)c(C)c23)ccc1O 5068448 NNLMVBUVYYCUBK-FBCYGCLPSA-N 328.397 3.468 30 40 EGEB Cc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2CCC#N)cc1 14284918 LRZMBDIWOWUZOJ-GOSISDBHSA-N 348.406 3.065 30 40 EGEB C[C@H](C#N)OC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 5894769 FSHIWSCZASHRMZ-GFCCVEGCSA-N 325.324 3.276 30 40 EGEB COC(=O)c1ccc(/N=C/c2ccc(O[C@H](C)C(=O)O)cc2)cc1 408846955 KTZFPONJWLKGJM-ZGXHQARYSA-N 327.336 3.076 30 40 EGEB C=CCCC(=O)Nc1ccc(OC)cc1I 192401284 SMGLSBSNFUMPIP-UHFFFAOYSA-N 331.153 3.205 30 40 EGEB O=C1/C(=N\Nc2cccnc2)c2cc(Cl)ccc2N1C1CSC1 223739930 DJZTUPQIVFDOKJ-HKWRFOASSA-N 344.827 3.013 30 40 EGEB Cc1ccc(-c2ocnc2C(=O)NCc2cccc(OCC#N)c2)cc1 96425174 LDBIBIHRVYCFRA-UHFFFAOYSA-N 347.374 3.482 30 40 EGEB N#Cc1cccc(NC(=O)CCc2nc(-c3ccc(F)cc3)no2)c1 8135631 DZYRVTYPJWAQAM-UHFFFAOYSA-N 336.326 3.319 30 40 EGEB O/C(=N\c1nc(C(F)(F)F)n[nH]1)c1csc(Br)c1 26251423 IFVPPMQXIKOZMO-UHFFFAOYSA-N 341.112 3.284 30 40 EGEB C=C(C)CN1c2ccccc2NC(=O)[C@@H]1CC(=O)Nc1ccccc1 9469844 CPFPEPGYGCCYIR-SFHVURJKSA-N 335.407 3.419 30 40 EGEB COc1cc([C@H](C#N)NC(=O)CC2=CCCCC2)cc(OC)c1OC 71883299 AHPCYVKXOKFMMG-HNNXBMFYSA-N 344.411 3.284 30 40 EGEB C=CCNc1nnc(SCC(=O)c2ccc(OC)c(F)c2)s1 7507858 PCGVDHDUKVVNEX-UHFFFAOYSA-N 339.417 3.259 30 40 EGEB C[C@@H]1S/C(=N/N=C/c2ccccc2OCc2ccccc2)NC1=O 16676895 SJXSDQHWOJJJBO-MDBUFAAASA-N 339.420 3.207 30 40 EGEB CCc1nc(COc2ccc(C(=O)Nc3cccc(C#N)c3)cc2)no1 71908498 PANQYVQLYNKJTN-UHFFFAOYSA-N 348.362 3.335 30 40 EGEB CCN([C@H](C)c1cccnc1)S(=O)(=O)c1ccc(C#N)cc1Cl 97053976 OVBGBNOLQAFCSF-GFCCVEGCSA-N 349.843 3.378 30 40 EGEB COC(=O)c1ccccc1CN(C)C(=O)/C=C/c1cccc(C#N)c1 76017955 DVHVWFQRUZIUKR-ZHACJKMWSA-N 334.375 3.017 30 40 EGEB C=CCOc1ccccc1CNC(=O)NCc1sc(C)nc1C 76086853 XSEQVJWEHXFHAX-UHFFFAOYSA-N 331.441 3.324 30 40 EGEB C=CCN(c1ccc(CC#N)cc1)S(=O)(=O)c1ccc(C)cc1 224688072 ZKUNPGOBASOZAK-UHFFFAOYSA-N 326.421 3.442 30 40 EGEB C=CCOc1ccc([C@@H]2Nc3nonc3NC3=C2C(=O)CCC3)cc1 12409509 NVBBMGGVXIFWEX-INIZCTEOSA-N 338.367 3.220 30 40 EGEB COc1cc(/C=N/N=C/c2ccc(N(C)C)cc2)cc(OC)c1OC 1745277 PBGDGLSZMSSPQA-ZIOPAAQOSA-N 341.411 3.231 30 40 EGEB C[C@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(C#N)cc1 5400491 LZIQNIYQAZTQTM-ZDUSSCGKSA-N 347.374 3.152 30 40 EGEB Cc1c(C(=O)N2CCCC2)sc(NC(=O)c2ccccc2)c1C#N 350813 OWRLJYUOMGEYAT-UHFFFAOYSA-N 339.420 3.417 30 40 EGEB C=CCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C)c1 6235042 BSEHPMIENVSOBT-UHFFFAOYSA-N 344.436 3.020 30 40 EGEB O=C1c2ccccc2N[C@H](c2c(F)c(F)c(F)c(F)c2F)N1O 4244702 PEPFANHCDNJQAE-ZDUSSCGKSA-N 330.212 3.338 30 40 EGEB Cc1c(CCOC(=O)C23CC4CC(CC(C4)C2)C3)sc[n+]1CC#N 5444966 QQQFPWACVXJTBZ-UHFFFAOYSA-N 345.488 3.170 30 40 EGEB C[C@@H](NCC(=O)Nc1cccc(C#N)c1)c1ccc(-n2cccn2)cc1 96492177 QYJSRJLSRLSYLP-OAHLLOKOSA-N 345.406 3.033 30 40 EGEB C=CCc1cc(C(=O)NCCc2ccccc2)cc(OC)c1OC 8724867 IJXUHCVYWMKRBJ-UHFFFAOYSA-N 325.408 3.405 30 40 EGEB C=C(C)COc1cccc(NC(=O)N2CC[S@@](=O)C(C)(C)C2)c1 89914060 GSYVNNPLZQLQPV-QHCPKHFHSA-N 336.457 3.016 30 40 EGEB Cc1cc(/C=N\NS(=O)(=O)c2ccc3ccccc3c2)c(C)n1C 408774474 VXYJDCKWENYZLL-UNOMPAQXSA-N 341.436 3.108 30 40 EGEB N#Cc1cnc(NCC2(c3ccccc3Cl)CCOCC2)cn1 124095941 JGNPEZVEQTUIPX-UHFFFAOYSA-N 328.803 3.162 30 40 EGEB C=CCN(C)C(=O)Nc1cc(C)nn1-c1ccc(C(F)(F)F)cn1 186730516 WZTKZFAQJKLDNT-UHFFFAOYSA-N 339.321 3.244 30 40 EGEB COc1ccc(NC(=O)/N=C(\c2ccccc2)N2CCOCC2)cc1 226751982 ANKUYIJBKRHGLM-DYTRJAOYSA-N 339.395 3.006 30 40 EGEB CCN(CC)c1ccc(/N=C2\C=CC(=O)C=C2NC(C)=O)c(C)c1 17146944 ZIHMHOVZBAXYIY-DYTRJAOYSA-N 325.412 3.073 30 40 EGEB Cc1nc(N2CCC(NC(=O)C(C)(C)C)CC2)c(C#N)c(C)c1Cl 2087121176 SHHFWOHTFPDZIL-UHFFFAOYSA-N 348.878 3.355 30 40 EGEB CCS(=O)(=O)c1ccc(C(=O)Nc2sc(C)c(C)c2C#N)cc1 4585922 BVIYUNRJYISUMQ-UHFFFAOYSA-N 348.449 3.283 30 40 EGEB N#C[C@@H](C(=O)Nc1ccccn1)C(=O)c1cc2c(s1)CCCCC2 102387418 ZDCWSVUHPFVZRL-CYBMUJFWSA-N 339.420 3.373 30 40 EGEB COc1ccc(-c2c(C#N)cc(OC)c(OC)c2OC)c(C=O)c1 1721282 VFRGKUGYRYFBLD-UHFFFAOYSA-N 327.336 3.072 30 40 EGEB C[C@@H](Sc1ccccc1Cl)C(=O)N[C@]1(C#N)CCSC1 58393102 ADZOMCVGQZRATN-YGRLFVJLSA-N 326.874 3.336 30 40 EGEB C/C(=N\Nc1nc2ccccc2c(=O)n1O)c1ccc(Cl)cc1 5442555 BFAIXSYOPZKHEX-VXLYETTFSA-N 328.759 3.123 30 40 EGEB Cc1cccc(C)c1-n1nnnc1C(C)(C)/N=C/c1ccccc1O 9434537 IJBYBGXTPBXYAI-UDWIEESQSA-N 335.411 3.339 30 40 EGEB Cc1nc(SCC(=O)Nc2ccc(CC#N)cc2)nc(C)c1C 7832825 ANAHRSOQNLKSKZ-UHFFFAOYSA-N 326.425 3.199 30 40 EGEB C=CCNC(=O)c1ccccc1NC(=O)COc1cccc(C)c1C 22614236 TWKUALJTLRCOMK-UHFFFAOYSA-N 338.407 3.237 30 40 EGEB CCc1c(NC(=O)CSCC#N)cnn1-c1cccc(Cl)c1 192132894 MYUMDQXQVRFLEL-UHFFFAOYSA-N 334.832 3.283 30 40 EGEB Cc1noc(CCC(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)n1 97101980 NTVPXEKTGZXWFJ-UHFFFAOYSA-N 342.443 3.022 30 40 EGEB N#CCc1ccc(NC(=O)N2CC[C@@H](CN3CCCCC3)C2)cc1 97101262 HJFKUESGPHVFRG-KRWDZBQOSA-N 326.444 3.092 30 40 EGEB CN(C)c1ccc([C@@H]2CCCN2Cc2cn3ccccc3c2C#N)nn1 591626103 MJWMGJUTKJRFTB-IBGZPJMESA-N 346.438 3.004 30 40 EGEB O=C(O)CCC(=O)Nc1ccc(/N=C\c2cccc([N+](=O)[O-])c2)cc1 16791117 ZIABVHBLALWLBD-WQRHYEAKSA-N 341.323 3.149 30 40 EGEB CCC[C@H](C)NC(=O)[C@H]1CCCN(Cc2cc(C#N)ccc2F)C1 51052923 RMMLDTAWKSEUCN-HOCLYGCPSA-N 331.435 3.214 30 40 EGEB C#CCN([C@H]1CCc2ccccc21)S(=O)(=O)c1ccc(C)cc1 32934567 RCIWBFKCOWDNHD-IBGZPJMESA-N 325.433 3.306 30 40 EGEB C=CCn1c(SCc2ccc(C#N)cc2)nnc1-c1cnccn1 526868 IZZMDNJZIRZLNG-UHFFFAOYSA-N 334.408 3.085 30 40 EGEB Cc1ccc(C(=O)Nc2ccc(Cl)c(C#N)c2)cc1S(C)(=O)=O 44399450 UIBOGEAFMWHLPT-UHFFFAOYSA-N 348.811 3.176 30 40 EGEB CC1=NN(c2ccccc2)C(=O)/C1=N\Nc1ccc2ncsc2c1 12625338 NYGFUDLHHAQFOU-SILNSSARSA-N 335.392 3.487 30 40 EGEB COc1ccc(/C=C/C(=O)c2cc(NC(C)=O)ccc2O)cc1OC 11865192 FFIMSDJULFUIPP-QPJJXVBHSA-N 341.363 3.264 30 40 EGEB biogenic Cc1nn(-c2ccccc2)c(C)c1NC(=O)COc1ccc(C#N)cc1 6862998 DNRUBFPKHACRRQ-UHFFFAOYSA-N 346.390 3.378 30 40 EGEB N#Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 7778536 NFZMHHWHXSEBGP-UHFFFAOYSA-N 333.391 3.437 30 40 EGEB N#CCCN(Cc1ccccn1)C(=O)c1cc(-c2cccs2)on1 69587904 FHEFESWHASHAHX-UHFFFAOYSA-N 338.392 3.354 30 40 EGEB N#Cc1ccc(CN(Cc2ccc(C#N)cc2)C[C@H]2CCCNC2)cc1 79439217 RWQFRGQZEPVDKD-QFIPXVFZSA-N 344.462 3.432 30 40 EGEB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OC(C)=O)cc1C#N 225843912 ZQAPGNVSPYGVMW-SFHVURJKSA-N 332.400 3.407 30 40 EGEB Cc1csc([C@@H]2CN(Cc3cn4ccccc4c3C#N)CCO2)n1 97199338 PVDGJNUXQXCEIU-KRWDZBQOSA-N 338.436 3.149 30 40 EGEB N#Cc1ccc(S(=O)(=O)CCSc2ncccc2Cl)cc1 96450910 PLIQBHUFTXMXJA-UHFFFAOYSA-N 338.841 3.173 30 40 EGEB CN(C)c1cc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)ccn1 97097965 WTEMIDALZCMEIL-GFCCVEGCSA-N 334.301 3.051 30 40 EGEB COc1ccccc1-c1nnc(NC(=O)c2ccc(C#N)cc2)s1 1526398042 INJGANJONZBSEW-UHFFFAOYSA-N 336.376 3.338 30 40 EGEB CCc1nc(NCCN(CC)CC)c(C#N)c2c1COC(C)(C)C2 203324 DOYGRGPAKAJNGP-UHFFFAOYSA-N 330.476 3.121 30 40 EGEB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1cc(C#N)cn1C(C)(C)C 95360962 VCMFRBGNCXYXRX-PXAZEXFGSA-N 339.395 3.282 30 40 EGEB C=CCNC(=O)c1cc(Br)cc(Br)c1OC 4506988 CPMFUFMQTJDEEJ-UHFFFAOYSA-N 349.022 3.136 30 40 EGEB CC(=O)N[C@@H](C(=O)Nc1ccccc1SC[C@H](C)C#N)C(C)C 71888210 XMEXYYXVBVZVHW-MLGOLLRUSA-N 333.457 3.038 30 40 EGEB N#Cc1cc2c(nc1N)sc1c(-c3ccccc3)c(C#N)c(N)nc12 35316470 DPCLRDMLHKFVQS-UHFFFAOYSA-N 342.387 3.419 30 40 EGEB Cc1cc2cc(C#N)c(NCCCNC(=O)C3CCC3)nc2cc1C 35315817 WLLPNBJOBJYUEK-UHFFFAOYSA-N 336.439 3.442 30 40 EGEB C=CCN(CC=C)S(=O)(=O)c1cc(C)c(Br)cc1C 41091933 ZPRVFZVCNDRVBF-UHFFFAOYSA-N 344.274 3.429 30 40 EGEB N#Cc1cccnc1OC1CCN(C(=O)Nc2ccccc2F)CC1 96102883 YLLIYUWOIUSSCE-UHFFFAOYSA-N 340.358 3.168 30 40 EGEB CCCOC(=O)C[N+](C)(C)CCO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 100729930 YPXYMOSBZGQIMQ-JTDSTZFVSA-N 326.501 3.247 30 40 EGEB Cc1cc(C)n(Cc2cccc(CNc3nnc(C)c(C)c3C#N)c2)n1 53573286 CRZMWVCNFCEUFE-UHFFFAOYSA-N 346.438 3.439 30 40 EGEB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)O/N=C1/CCCCCN1 3183485 HBVILHAMNIGVNO-UHFFFAOYSA-N 326.740 3.274 30 40 EGEB C[C@@H](OC(=O)c1cccc(Cl)c1N)C(=O)Nc1sccc1C#N 12567352 XNQAWCVHAYEZEA-MRVPVSSYSA-N 349.799 3.039 30 40 EGEB C=C[C@@H]1C[N+]2(C)CC[C@@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12 6896992 SJTSZVLGFLZBFK-UXTUGRFTSA-N 339.459 3.318 30 40 EGEB Cc1nc(-c2ncccn2)sc1C(=O)N[C@H](C)c1ccc(C#N)cc1 55199447 RTWDFIJBHRVEMO-LLVKDONJSA-N 349.419 3.271 30 40 EGEB COC(=O)COc1cccc(/C=N/NCc2ccccc2Cl)c1 8811827 FHJDRZWMEGWDQH-VXLYETTFSA-N 332.787 3.016 30 40 EGEB C[C@@H](NC(=O)[C@](F)(NC(F)(F)F)C(F)(F)F)c1ccccc1 25425915 WGNUDVQAHOGFJX-XCBNKYQSSA-N 332.219 3.201 30 40 EGEB CN(C1=CC(=O)C(N(C)C2CCCCC2)=CC1=O)C1CCCCC1 100375390 NVLUIUUBCGGGIB-UHFFFAOYSA-N 330.472 3.435 30 40 EGEB N#Cc1cccc(S(=O)(=O)/N=C(\O)CCSc2ccccc2)c1 48599940 ZSLGPTGAJZHEKD-UHFFFAOYSA-N 346.433 3.386 30 40 EGEB C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](N1CC1)CC1=CC(=O)CC[C@@]13C 118917940 TVLJGVSJCIAMRD-YQUGOWONSA-N 329.484 3.173 30 40 EGEB COc1cc(C#N)ccc1OCC(=O)N1CCC[C@@H]1c1ccsc1 47166126 XBZCBBDVWAHYDN-OAHLLOKOSA-N 342.420 3.371 30 40 EGEB COc1ccc(/C(C)=N/NC(=S)NCc2ccccc2)cc1OC 5119857 XIOXUUKPFVEFEC-DEDYPNTBSA-N 343.452 3.092 30 40 EGEB COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cc2C#N)N(C)C)cc1 5638088 HQBDSPDUEYMFRF-GOSISDBHSA-N 340.383 3.190 30 40 EGEB N#C[C@H](NC(=O)CCc1nnc(C2CCCC2)o1)c1ccccc1F 95415188 VDAJPPKDPVQOJX-HNNXBMFYSA-N 342.374 3.180 30 40 EGEB N#Cc1ccccc1S(=O)(=O)Oc1ccccc1Br 16086855 NSLSUKSSACTHMD-UHFFFAOYSA-N 338.182 3.088 30 40 EGEB CCO[C@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc(OC)cc2)cs1 70017844 VSWPGKJNTJFRKR-RISCZKNCSA-N 330.409 3.420 30 40 EGEB C#CCOc1cc(F)ccc1NC(=O)N1CCCC[C@H]1c1ncc[nH]1 83812704 HXAMCMNFIHEZBD-HNNXBMFYSA-N 342.374 3.320 30 40 EGEB C[C@H](SC[C@@H](O)c1ccccc1)C(=O)NC1(C#N)CCCCC1 83966403 LBRZQGSKIHFCNA-GOEBONIOSA-N 332.469 3.184 30 40 EGEB O=S(=O)(N/N=C\c1ccc(Cl)c(Cl)c1)c1ccccc1 31819355 GYSLQVDXCNSXJS-SXGWCWSVSA-N 329.208 3.306 30 40 EGEB N#CCCN(CC(F)(F)F)C(=O)Cc1cccc(Br)c1 96451943 YDMKUZHIXUDNEU-UHFFFAOYSA-N 349.150 3.296 30 40 EGEB Cc1ccc(C(=O)/N=C2\N=C3N=CC=CN3Cc3ccccc32)cc1 3167701 ORJFQENOBDPDIA-PYCFMQQDSA-N 328.375 3.352 30 40 EGEB C#CCn1c([C@@H]2CC(=O)N(c3ccccc3OC)C2)nc2ccccc21 12627873 PKFYENPOHQBLRS-OAHLLOKOSA-N 345.402 3.199 30 40 EGEB CC[C@H](CC#N)NC(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1 155856602 OIRZXQKACCJTEQ-MRXNPFEDSA-N 342.443 3.372 30 40 EGEB Brc1cccc(/C=N\N2CCN(c3ccccn3)CC2)c1 4480041 ZLRPTDMMSNZRQZ-UYRXBGFRSA-N 345.244 3.000 30 40 EGEB O=S(=O)(c1ccc2ccccc2c1)N(C[C@@H]1CO1)c1ccccc1 380614 YXMGARRZHSKZJO-GOSISDBHSA-N 339.416 3.434 30 40 EGEB Cc1cccc[n+]1CC(=O)c1cc2c(ccc3ccccc32)oc1=O 3165279 AAQGAKJEGZJUPO-UHFFFAOYSA-N 330.363 3.425 30 40 EGEB C=C1CC[C@]23C[C@H](CC[C@H]2[C@]12C[C@H](c1ccoc1)OC2=O)OC3=O 1633738 UNKJMPBJRRFBEL-KPHNSTPASA-N 328.364 3.316 30 40 EGEB CCCCCCCCNC(=O)c1ccc(N2C(=O)CCC2=O)cc1 3097390 WHYMRTGOIMMOLL-UHFFFAOYSA-N 330.428 3.430 30 40 EGEB N#Cc1ccc(CN2CCN(C(=O)c3ccccc3Cl)CC2)cc1 23702096 PAFFEROMDMOEPI-UHFFFAOYSA-N 339.826 3.170 30 40 EGEB C[C@](C#N)(NC(=O)CNc1ccccc1OC1CCCC1)C1CC1 55874005 AQSLAVXLDDXAKX-LJQANCHMSA-N 327.428 3.228 30 40 EGEB C=C(C)CN(CC)CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O 28781133 NQUFOOQGHMFPHC-FQEVSTJZSA-N 341.455 3.016 30 40 EGEB N#Cc1cnn(C(=O)CCCOc2ccc(Cl)cc2Cl)c1N 46438805 VTGKSRHQOVVCTI-UHFFFAOYSA-N 339.182 3.143 30 40 EGEB CN(C)CCCNc1c2c(c(C#N)c3nc4ccccc4n13)CCC2 4003443 QGYIOTDJZSUIOY-UHFFFAOYSA-N 333.439 3.211 30 40 EGEB C#CCOc1cc(F)ccc1NC(=O)N[C@@H](C)c1c(C)noc1C 72303966 WQVJRERDSYLPRH-JTQLQIEISA-N 331.347 3.325 30 40 EGEB N#Cc1ccc(SCC(=O)NC[C@H]2COc3ccccc3C2)cc1 65624216 CDZUOIIKVCULEH-HNNXBMFYSA-N 338.432 3.018 30 40 EGEB N#Cc1ccccc1-c1nc(-c2cccc(CN3CCOCC3)c2)no1 96462661 QMJDHAAVNWUCOK-UHFFFAOYSA-N 346.390 3.107 30 40 EGEB O=C(C[n+]1cc(-c2ccccc2)n2c1CCC2)OCc1ccccc1 17014256 NGXRPSMINLQWFI-UHFFFAOYSA-N 333.411 3.132 30 40 EGEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@@H]2c1ccccc1O 18195176 YKANEOCZZGTQLO-CYBMUJFWSA-N 325.368 3.022 30 40 EGEB O=S(=O)(/C=C/c1ccc(F)cc1)/N=C(\O)[C@H]1CC1(Cl)Cl 95407457 CPXOJUCRUTYZCV-BRAIEQGRSA-N 338.187 3.277 30 40 EGEB C#CCOc1cccc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c1 409035779 KESLVDNGPUPJTH-ODCIPOBUSA-N 342.214 3.413 30 40 EGEB C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(N2CCCC2)ccn1 194498793 LJPFTLINNYIGCU-UHFFFAOYSA-N 346.434 3.382 30 40 EGEB C[C@@H](C(=O)Nc1ccc(-n2ncc(C#N)c2N)cc1)c1ccsc1 95399262 NLUPYUICTBLNLB-LLVKDONJSA-N 337.408 3.130 30 40 EGEB CCS(=O)(=O)c1sc(N)c(C#N)c1-c1ccc(Cl)cc1 96532126 LJNJSQNOPJDOPY-UHFFFAOYSA-N 326.830 3.316 30 40 EGEB Cc1ccc(CC2CN(C(=O)NCc3ccc(C#N)c(F)c3)C2)cc1 596619476 UPQITQIAUSSCOO-UHFFFAOYSA-N 337.398 3.390 30 40 EGEB N#C[C@@H](C(=O)c1cccc(-n2cccn2)n1)c1nc2ccccc2s1 390833794 NEJFAOPUEXTXQU-LBPRGKRZSA-N 345.387 3.367 30 40 EGEB Cc1ccc(-c2nnc(SCC(=O)N[C@](C)(C#N)C(C)C)o2)cc1 5863050 OSJFTLVGKBTNNQ-QGZVFWFLSA-N 344.440 3.192 30 40 EGEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCO[C@@H]2CCCC[C@H]21 40553899 VLWCUMZUKGLFLP-HZPDHXFCSA-N 339.395 3.034 30 40 EGEB N#C[C@@H](Cc1cccnc1)C(=O)Nc1ccc(Br)cc1 419718 YYWRHBKOHFMBFD-GFCCVEGCSA-N 330.185 3.165 30 40 EGEB N#Cc1ccc(N2CCC[C@@H](N3CCCC3=O)C2)c(C(F)(F)F)c1 77966347 VUFZTEGMQIOQAL-CYBMUJFWSA-N 337.345 3.168 30 40 EGEB CC(=O)c1ccc(N2CCN(Cc3ccc(C#N)cc3)CC2)c(F)c1 12543078 YLJSEWWRLJSVPS-UHFFFAOYSA-N 337.398 3.222 30 40 EGEB C=C1[C@@H]2CC[C@@]3(CC[C@H]4[C@@]5(CCC[C@@]4(C)CN(CCO)C5)[C@@H]3C2)[C@@H]1O 100392970 KNYGXNFGZONVKK-CHKVQHFGSA-N 345.527 3.214 30 40 EGEB biogenic,in-vitro N#Cc1ccccc1S[C@H]1CCN(c2sccc2C#N)C1=O 83092433 JWVSDPZBHHTUSI-AWEZNQCLSA-N 325.418 3.389 30 40 EGEB CCCC(CCC)=NNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 6674328 PRYRXQGZNFIBSU-UHFFFAOYSA-N 327.406 3.138 30 40 EGEB C=CCn1c(C)nnc1SCC(=O)Nc1cc(Cl)ccc1C 4936525 XAVOEUGSAWZHGX-UHFFFAOYSA-N 336.848 3.465 30 40 EGEB N#C[C@@H](NC(=O)c1ccc2cc[nH]c2c1)c1cnn(-c2ccccc2)c1 68401036 ZQDYMWQPTFKHIB-LJQANCHMSA-N 341.374 3.348 30 40 EGEB CN(C)C(=NCCc1ccc(NC(=O)OC(C)(C)C)cc1)N(C)C 87002814 LCRMACUIMSDMIK-UHFFFAOYSA-N 334.464 3.055 30 40 EGEB COc1ccc2c(c1)C(=O)/C(=C\c1ccc(OC)c(OC)c1)CO2 96993440 LKNQAOXZCFPRFA-JYRVWZFOSA-N 326.348 3.371 30 40 EGEB N#Cc1c[nH]c(C(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)c1 89878975 DXTFFPYFAJMYRA-QGZVFWFLSA-N 336.782 3.454 30 40 EGEB O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1/N=C/c1cccc2ccccc12 239125212 KCWQNWPQOBZSRR-YDRVBMSGSA-N 342.398 3.227 30 40 EGEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@H](C(F)(F)F)C1 18233219 AHTOAIRIWYTYDI-YPMHNXCESA-N 326.318 3.126 30 40 EGEB CCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(C)o1)C2=O 5164717 GCHKZVVCGZPLEO-SXGWCWSVSA-N 328.320 3.146 30 40 EGEB Cc1ccc(-c2ccc(C(=O)[C@@H](C#N)C(=O)c3nccn3C)s2)o1 102076431 AOFPMUAKDMFBBJ-LLVKDONJSA-N 339.376 3.255 30 40 EGEB O=C(c1ccccc1)[C@@H]1O[C@@]12C(=O)Nc1c(Cl)cc(Cl)cc12 1624361 FTUTYMVOKVWCIV-GOEBONIOSA-N 334.158 3.423 30 40 EGEB C#CC(CC)(CC)NC(=O)c1cc([N+](=O)[O-])ccc1N(CC)CC 12528322 PIGRKOBPBIZTLS-UHFFFAOYSA-N 331.416 3.363 30 40 EGEB N#Cc1ccc(OCCNc2cccc(-c3nnnn3C3CC3)c2)cc1 12522860 PKXWFFBSGZJDJR-UHFFFAOYSA-N 346.394 3.038 30 40 EGEB CCOC(=O)C[C@@H](/C=C1/C(=O)[C@@]2(C)CC[C@H]1C2(C)C)C(=O)OCC 103210244 KAUNDGKZMCLVBD-ZDBCWALBSA-N 336.428 3.071 30 40 EGEB COc1ccc(C(=O)/C=C\Nc2ccc([N+](=O)[O-])cc2)cc1OC 100570554 UTSFPROGGSMBEB-KTKRTIGZSA-N 328.324 3.421 30 40 EGEB COc1ccccc1/C=N/N=C1\SCC(=O)N1Cc1ccccc1 13617435 LDXNKOHRELANAL-IVUIJMHVSA-N 339.420 3.161 30 40 EGEB C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)CCOC)cc1 70040531 DDUCCEPKRGTYSL-HNNXBMFYSA-N 345.443 3.047 30 40 EGEB Cc1cccc(N/C(N)=N\Cc2ccc(C(=O)N(C)C(C)C)cc2)c1 69528934 JIDVRPVNMOSSGF-UHFFFAOYSA-N 338.455 3.402 30 40 EGEB N#Cc1ccc(OCCn2nc(C3CC3)cc(C(F)(F)F)c2=O)cc1 71817243 ITARLOXKGGKAKH-UHFFFAOYSA-N 349.312 3.090 30 40 EGEB NC(=O)COc1ccc(/C=N/c2ccc(Br)cc2)cc1 18023700 VYSVXRCXRRQWDX-GIJQJNRQSA-N 333.185 3.064 30 40 EGEB Cc1cc(Br)ccc1/N=C\c1ccc(OCC(N)=O)cc1 408962040 FXOTXRYZAKYKGX-OCKHKDLRSA-N 347.212 3.372 30 40 EGEB Cc1cc(F)c(S(=O)(=O)/N=C(\O)c2ncoc2C(C)C)cc1F 96474022 SPXIAQMUHLZJJK-UHFFFAOYSA-N 344.339 3.078 30 40 EGEB CCc1nn(Cc2oc(-c3ccccc3)nc2C)c(=O)c(C#N)c1CC 601075864 BUHYUWKWIHSLQY-UHFFFAOYSA-N 348.406 3.252 30 40 EGEB Cn1nc(C(F)(F)F)c(/C=N/Nc2ccc([N+](=O)[O-])cc2)c1Cl 4284955 KVSWJIZIGAEKCP-UBKPWBPPSA-N 347.684 3.447 30 40 EGEB Cc1ccc(-n2cc(C(=O)c3cc(C)ccc3O)cc(C#N)c2=O)cc1 3350564 LNDQPZWKVCWABS-UHFFFAOYSA-N 344.370 3.263 30 40 EGEB CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N(C)Cc1c(F)cccc1Cl 32832204 PJWOTETWCKWPFW-YVEFUNNKSA-N 339.842 3.354 30 40 EGEB C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(CC)cc1)CC(=O)N2 4944182 WOMPKAAAFVSESM-ZDUSSCGKSA-N 341.436 3.085 30 40 EGEB C#C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)c1ccc(-c2ccccc2)cc1 8300593 JCFQXVYFIWOKOW-BULFRSBZSA-N 344.458 3.427 30 40 EGEB biogenic,in-vitro CC(C)(C#N)c1ccc(NC(=O)c2cn(Cc3ccccc3)nn2)cc1 25439829 LRGOJFRFSOEXRW-UHFFFAOYSA-N 345.406 3.380 30 40 EGEB CC1=[N+](CC(=O)c2ccc(Br)cc2)CCn2c(C)ccc21 1883050 QSHBGWVCOAKGEQ-UHFFFAOYSA-N 346.248 3.277 30 40 EGEB COc1cccc(S(=O)(=O)/N=C(\O)COc2c(C)cccc2C)c1 58186341 XHQRYEXBHWLNMH-UHFFFAOYSA-N 349.408 3.036 30 40 EGEB C[C@@H]1CCCN(CCCCNC(=O)Nc2ccc(OCC#N)cc2)C1 45977183 YHNMGGBJABJUEF-MRXNPFEDSA-N 344.459 3.223 30 40 EGEB COc1cc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)ccc1[N+](=O)[O-] 84325776 AOTLBBJDNFEXQZ-UHFFFAOYSA-N 342.355 3.284 30 40 EGEB C=C(C)CSc1nnc(-c2cc(-c3ccc(C)cc3)n[nH]2)n1N 9089270 BYYXESRJQKQIDB-UHFFFAOYSA-N 326.429 3.026 30 40 EGEB COc1nc2ccccc2nc1[C@H](C#N)C(=O)Nc1cccc(C)c1 5483260 HPHWWUFRAUNDJB-AWEZNQCLSA-N 332.363 3.193 30 40 EGEB Oc1ccc(/C=N/Nc2ncc(C(F)(F)F)cc2Cl)c(O)c1O 4964422 PNBNSSDIDHPECH-RMOCHZDMSA-N 347.680 3.317 30 40 EGEB N#Cc1ccccc1NC(=O)CSc1nc(-c2cccs2)n[nH]1 8734492 WARUNEXABBGMME-UHFFFAOYSA-N 341.421 3.136 30 40 EGEB C=CCc1cc(/C=C2\SC(=S)NC2=O)cc(OCC)c1OC 409344614 HOEUAIMDQJBIFM-LCYFTJDESA-N 335.450 3.311 30 40 EGEB C=CCSc1ccccc1C(=O)N1CCC(C(=O)OCC)CC1 219803578 DHJGZKMGLFVOIQ-UHFFFAOYSA-N 333.453 3.380 30 40 EGEB C=CCSc1nnc(NC(=O)Cc2ccc(OC)c(C)c2)s1 223755161 VEEGEKKEDWPXTN-UHFFFAOYSA-N 335.454 3.314 30 40 EGEB C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)Nc1ccc(C#N)cn1 95430302 CGBXTNOWWXJHAL-HNNXBMFYSA-N 349.438 3.383 30 40 EGEB COc1cccc([C@H]2CCCN2c2ncnc3c2cnn3CCC#N)c1 97199992 XEMKDNBVEQIMMF-QGZVFWFLSA-N 348.410 3.090 30 40 EGEB CCOC(=O)C1=C[C@H](C2CC2)c2c(cc([N+](=O)[O-])c(F)c2C)C1=O 255187930 HRMKOEUPFUZCMD-SNVBAGLBSA-N 333.315 3.222 30 40 EGEB C=CCOc1ccc([C@H]2CC(=O)N(N(C)C)C3=C2C(=O)CCC3)cc1 4593331 RXVRJLQMHJLNCB-MRXNPFEDSA-N 340.423 3.051 30 40 EGEB N#Cc1ccnc(O[C@@H]2CCCN(C(=O)Nc3ccc(F)cc3)C2)c1 575613478 RCNTWNWOQCWLSP-MRXNPFEDSA-N 340.358 3.168 30 40 EGEB COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc3c2ccn3C)cc1 101243583 MKSBYKZYSQEIOX-KRWDZBQOSA-N 347.374 3.148 30 40 EGEB N#Cc1c(Cl)nsc1NCCC(=O)N1CCCc2ccccc21 52385288 BHQGOWCFBNQDCA-UHFFFAOYSA-N 346.843 3.450 30 40 EGEB COc1ccc(Cl)cc1C(=O)[C@H](C#N)C(=O)Nc1ccc(F)cc1 103501887 QKHAJOABFDBTAA-AWEZNQCLSA-N 346.745 3.449 30 40 EGEB CCO[C@H](CC)C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 103633218 UHWZWSFBPCMTGW-ZWNOBZJWSA-N 343.210 3.456 30 40 EGEB C[C@@H]1C(C#N)(C#N)[C@@]2(C#N)C(=N)O[C@@]1(C)O[C@@H]2c1ccccc1Cl 100791088 KSIJAWXPQCVRDP-YFQFEKICSA-N 340.770 3.315 30 40 EGEB COc1ccc(CN/N=C(\C)c2c(OC)cccc2OC)cc1OC 20196819 VJCQJPXYBDQSTA-FYJGNVAPSA-N 344.411 3.235 30 40 EGEB CCCC/N=C(/NCc1nc(C)cs1)NCc1ccccc1O 84740512 NWFHDVZXFYYWPD-UHFFFAOYSA-N 332.473 3.193 30 40 EGEB C[C@]12CC[C@H]3[C@@H](C[C@@H]4O[C@@]45CC4(CC[C@]35C)OCCO4)[C@@H]1CCC2=O 4025668 YXFMREIBQXTTRD-KXRJARTISA-N 346.467 3.473 30 40 EGEB biogenic CC(=O)Nc1ccc(F)c(C(=O)[C@H](C#N)c2nc3ccccc3o2)c1 60043339 GJDIBMHVQZXVJV-ZDUSSCGKSA-N 337.310 3.415 30 40 EGEB C=CCNC(=O)C1(Cc2ccccc2-c2ccncc2)CCOCC1 12134103 IBPVJWLBIPCVEQ-UHFFFAOYSA-N 336.435 3.390 30 40 EGEB CCc1ccc(/C=C2\Oc3cc(OCC(=O)OC)ccc3C2=O)cc1 13656395 DMMROIHIANIAQT-ZDLGFXPLSA-N 338.359 3.417 30 40 EGEB N#Cc1cccc(C(=O)NC[C@@H]2CCCN2c2nc3ccccc3o2)c1 206770805 JBCFYKZWOKNFAV-INIZCTEOSA-N 346.390 3.098 30 40 EGEB O=[N+]([O-])c1cccc(/C=N/OCc2cn3cc(Cl)ccc3n2)c1 12519822 BGAUQXBFUPTYKF-REZTVBANSA-N 330.731 3.447 30 40 EGEB CN(CCOc1ccc(Cl)cc1)CC(=O)Nc1sccc1C#N 8120813 BAMGSIFSGWZDMC-UHFFFAOYSA-N 349.843 3.222 30 40 EGEB C=CCOc1ccc(/C=N/NCc2ccc(OC)c(OC)c2)cc1 20196353 ZRXAVELBDIACDL-DEDYPNTBSA-N 326.396 3.392 30 40 EGEB O=C(O)c1ccc2c(c1)NC(=C1C(=O)c3ccccc3C1=O)C=C2O 100916627 AMPYOELAGUUGIU-UHFFFAOYSA-N 333.299 3.043 30 40 EGEB CN(CC(=O)Nc1ccc(C#N)cc1)Cc1c(F)cccc1Cl 3586960 WBOJRJLCJBSLDQ-UHFFFAOYSA-N 331.778 3.421 30 40 EGEB COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H]2CCOC2)cc1 65593743 WGQGHMKNBWNPJK-CQSZACIVSA-N 338.363 3.334 30 40 EGEB Cc1nc(-c2nc[nH]n2)sc1C(=O)O[C@H](C)c1cccc(C#N)c1 96409062 VRPLOSUNNRFYKE-SNVBAGLBSA-N 339.380 3.026 30 40 EGEB Cc1occc1-c1nnc(SCC(=O)O)n1/N=C/[C@H]1CC=CCC1 8049930 XNLXAORINAJCRS-UWONZBIMSA-N 346.412 3.213 30 40 EGEB N#Cc1ccccc1CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O 8502018 JKWOBMJFZALJFO-NRFANRHFSA-N 345.402 3.232 30 40 EGEB C=CCOc1ccc(C(=O)N[C@@H]2CC[C@@H]3SCCS[C@@H]32)cc1 89893999 XRYYIAGFSKYPHT-OWCLPIDISA-N 335.494 3.361 30 40 EGEB CC(=O)Nc1ccc(/C=N\NC(=S)Nc2ccc(F)cc2)cc1 33452841 CIBOFAUSKNPKPQ-ZDLGFXPLSA-N 330.388 3.105 30 40 EGEB Cn1cccc1/C=N/n1c(-c2ccccc2)nc2ccccc2c1=O 33899477 PKBYQHTZLWUFDC-KGENOOAVSA-N 328.375 3.284 30 40 EGEB C[C@H](CCc1cccc(F)c1)/C(O)=N/S(=O)(=O)c1cccnc1 76761130 JAATWNAZVCZNDK-GFCCVEGCSA-N 336.388 3.135 30 40 EGEB Cc1cccc(S(=O)(=O)N2CCCC[C@@H]2c2ccco2)c1C#N 331986692 UIOYNSSRWBEMHX-OAHLLOKOSA-N 330.409 3.376 30 40 EGEB COc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1Br 642814803 YAANXQBTZLUXTD-UHFFFAOYSA-N 347.445 3.410 30 40 EGEB N#C[C@@]1(Nc2ccccc2Br)C(=O)Nc2ccccc21 501869 BSRATJSHJLPUQO-HNNXBMFYSA-N 328.169 3.232 30 40 EGEB CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)N/C=C/C(=O)C(F)(F)F 102936334 YWEDSNOKPDMASD-WTNCMQEWSA-N 343.345 3.174 30 40 EGEB C=CCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@@H]1c1ccccc1 2463599 RCILNRDSPVBPFY-SWLSCSKDSA-N 342.420 3.064 30 40 EGEB CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@@H]1c1ccncc1 4126669 FHRKLHIAJBAWIM-INIZCTEOSA-N 326.396 3.003 30 40 EGEB COc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc(Cl)c1OC 408750645 PVOYWUIZNZGGFU-IDUWFGFVSA-N 336.735 3.106 30 40 EGEB COc1ccccc1/C=C/C=N/Nc1nn2cnnc2c2ccccc12 9301473 JGHVIHUDTRVHMK-HOGMWEGNSA-N 344.378 3.397 30 40 EGEB N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCCCCCC2)cc1 65609930 DUXHHGVIMYGJFA-UHFFFAOYSA-N 348.468 3.170 30 40 EGEB Cn1cccc(NC(=O)c2ccccc2Oc2ccccc2C#N)c1=O 97046806 NZNRZQDLGNTKFI-UHFFFAOYSA-N 345.358 3.302 30 40 EGEB N#Cc1ccc(C(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)[nH]1 95978373 WRRKBCONLOGJIQ-UHFFFAOYSA-N 344.374 3.069 30 40 EGEB Cc1ccc([C@@H]2[C@@H](C=O)[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 218656424 QKGKLUQMQDJVJF-ZACQAIPSSA-N 334.824 3.403 30 40 EGEB C=CCn1cc(CN2CCC[C@](O)(c3ccc(F)cc3)CC2)c(C)n1 12188833 RMSZSBTXNZGFNP-HXUWFJFHSA-N 343.446 3.390 30 40 EGEB CC(/C=N/Nc1nc(=O)c(-c2ccccc2)n[nH]1)=C\c1ccccc1 5828965 LMKREHOXEIYQQB-OCRAYANJSA-N 331.379 3.333 30 40 EGEB N#Cc1cc(NS(=O)(=O)c2ccc(F)cc2F)ccc1Cl 10514771 AWSHGKLFJVEHSI-UHFFFAOYSA-N 328.727 3.291 30 40 EGEB COc1cc(C(=O)/C=C/c2ccc(F)cc2)ccc1S(C)(=O)=O 57810036 BIWBDDGOMDICFV-WEVVVXLNSA-N 334.368 3.134 30 40 EGEB Cc1ccc2c(c1)CCCN2C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C 44869374 CRDJVPRLZAJWSL-UHFFFAOYSA-N 349.434 3.084 30 40 EGEB O=C(CO/N=C/c1ccccc1OC(F)F)NCc1cccs1 3329641 VSICFUVRFHDXRY-UFWORHAWSA-N 340.351 3.016 30 40 EGEB C=CCn1cc(CN2CCCN(c3cccc(OC)c3)CC2)c(C)n1 57811397 JHPSUOIQWLDNLY-UHFFFAOYSA-N 340.471 3.098 30 40 EGEB C/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc2c(c1)OCO2 16137192 HJIYZMGVUKEKOH-CXUHLZMHSA-N 344.283 3.068 30 40 EGEB O=C(O)c1cc(/N=C\c2ccc(N3CCOCC3)o2)ccc1Cl 409020154 MHSKMMROINILKV-ZDLGFXPLSA-N 334.759 3.218 30 40 EGEB N#CCCCS(=O)(=O)/N=C(\O)c1ccc(-c2cccs2)s1 97084327 ALEXLDCYYADYLA-UHFFFAOYSA-N 340.451 3.415 30 40 EGEB N#CCCn1ncc2c(N3CCC[C@@H]3c3cccc(F)c3)ncnc21 97200009 GWKPGCWNWPDWMF-MRXNPFEDSA-N 336.374 3.221 30 40 EGEB COc1ccccc1C[C@H](/C(O)=N/c1ccccc1C)c1nnn[nH]1 82095027 HHMZUKNPWKNGPA-AWEZNQCLSA-N 337.383 3.131 30 40 EGEB Cc1ccc([C@@H]2[C@@H](C=O)[C@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 252516164 QKGKLUQMQDJVJF-BRWVUGGUSA-N 334.824 3.403 30 40 EGEB N#Cc1ccc(NC2CC2)c(NC(=O)C[C@H]2C(=O)Nc3ccccc32)c1 619580826 HUZZPFKFLLKHJV-OAHLLOKOSA-N 346.390 3.197 30 40 EGEB C/C(=N\Nc1ccc2nncn2n1)c1ccc2c3c(cccc13)CC2 5829731 ISGMBYFEMDUYLE-CIAFOILYSA-N 328.379 3.212 30 40 EGEB C[C@H]1Cc2ccccc2N1C(=O)C1CCN(c2ccc(C#N)cn2)CC1 40030853 GKADMKQYAGXWHY-HNNXBMFYSA-N 346.434 3.147 30 40 EGEB CC(C)c1noc(CCCC(=O)N[C@@H](C)c2ccc(C#N)cc2)n1 40548510 GPCJPWJYAAVCJA-ZDUSSCGKSA-N 326.400 3.265 30 40 EGEB CCOc1cc([C@@H](C#N)N2CCO[C@H](c3ccccc3)C2)ccc1O 41194264 HCLZRSWNXNLSIT-XLIONFOSSA-N 338.407 3.429 30 40 EGEB Cc1ccnc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)n1 419503 JEZSJYMVVWXKKF-UHFFFAOYSA-N 344.465 3.328 30 40 EGEB N#CCCN(c1nc2ccccc2s1)S(=O)(=O)c1ccccc1 24829609 WQDMQTFBMMCFFG-UHFFFAOYSA-N 343.433 3.405 30 40 EGEB CCCCCCCOc1ccc(/C=C2\C(=O)N=C(S)NC2=O)cc1 104664488 NWNIDGQFUYPDSP-UHFFFAOYSA-N 346.452 3.361 30 40 EGEB CCOC(=O)C[C@@H](/C=C1\C(=O)[C@]2(C)CC[C@@H]1C2(C)C)C(=O)OCC 100366655 KAUNDGKZMCLVBD-OEXITEBPSA-N 336.428 3.071 30 40 EGEB Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(N)=O)n2)o1 72640585 LFNKBTRMVHOQHH-UHFFFAOYSA-N 341.314 3.118 30 40 EGEB COC(=O)C1=C(C)N/C(=C/c2cccc(OCc3ccccc3)c2)C1=O 4115519 XMYRYESEMOVBQX-LDADJPATSA-N 349.386 3.226 30 40 EGEB Cc1csc([C@H](C#N)C(=O)COC(=O)c2ccc(Cl)s2)n1 6610290 LSISCNRDIXJTLM-MRVPVSSYSA-N 340.813 3.200 30 40 EGEB CCOc1ccc(NC(=O)[C@H](C#N)Cc2ccc(O)c(OC)c2)cc1 9434708 OUDFLYCAZMHREH-AWEZNQCLSA-N 340.379 3.120 30 40 EGEB C#CCN(Cn1nc(C(C)(C)C)ccc1=O)[C@@H]1CCc2ccccc21 66792690 MAYVDPYOXMDXMM-GOSISDBHSA-N 335.451 3.121 30 40 EGEB COc1cc(C)c(S(=O)(=O)Nc2ccc(CC#N)cc2)c(C)c1 29048204 QCRVWJJNMYQRQA-UHFFFAOYSA-N 330.409 3.179 30 40 EGEB CN1C(=O)C[C@@H](C(=O)O)S/C1=N\c1cc(Cl)cc(Cl)c1 17948802 NMSFGLSIKFCNBA-YHMWOKNVSA-N 333.196 3.029 30 40 EGEB N#C[C@@H](NC(=O)[C@@H]1CC(=O)Nc2ccccc21)c1cccc(Cl)c1 69892919 BPYYXSRIVFOOMN-GDBMZVCRSA-N 339.782 3.147 30 40 EGEB CN(C)C[C@@H]1CCN(C(=O)c2ccccc2Oc2ccccc2C#N)C1 97047326 DKTNAUDDEQEKNN-INIZCTEOSA-N 349.434 3.374 30 40 EGEB N#Cc1cc(N2CCC(N3CCCC3=O)CC2)ccc1C(F)(F)F 97144794 AKNIWVRYBSLBAO-UHFFFAOYSA-N 337.345 3.168 30 40 EGEB COc1cc(N2CCCC2)ccc1/C=N/Nc1ncccc1[N+](=O)[O-] 409067963 RRGGYKPIQHGXDI-XDHOZWIPSA-N 341.371 3.045 30 40 EGEB C=CCOc1ccc(-c2nn3c(CN(CC)CC)nnc3s2)cc1 71260555 QASUXRHIOCWRQQ-UHFFFAOYSA-N 343.456 3.259 30 40 EGEB CS(=O)(=O)/N=C(\O)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 78988940 RZCGBGKHWVBTRS-SJORKVTESA-N 345.420 3.285 30 40 EGEB C[C@H](Oc1ccccc1Br)C(=O)NCCCCC#N 78996425 SRRDPWKQTRJOKO-NSHDSACASA-N 325.206 3.026 30 40 EGEB CC(C)c1ocnc1/C(O)=N/S(=O)(=O)Cc1ccccc1Cl 83791693 MUVIAJIJLPBULE-UHFFFAOYSA-N 342.804 3.286 30 40 EGEB CCc1nc2c(s1)[C@@H](N(C)S(=O)(=O)CCCCC#N)CCC2 89295795 XHMPFSMCRLYLTC-ZDUSSCGKSA-N 341.502 3.038 30 40 EGEB C=C1[C@@H](C(=O)Nc2ccc(F)cc2)[C@H]1C(=O)Nc1ccc(F)cc1 13139768 KGZKFWUCNXIMMX-IYBDPMFKSA-N 328.318 3.344 30 40 EGEB C=CCn1c(SCc2c(F)cccc2F)nnc1-c1cnccn1 16755580 XTAXEIQUTDXJRJ-UHFFFAOYSA-N 345.378 3.492 30 40 EGEB N#Cc1ccc(NC(=O)c2cccc(I)c2)cc1 583858 NXMRINBRPMRAKX-UHFFFAOYSA-N 348.143 3.415 30 40 EGEB CC[C@H]1S/C(=N/N=C(\C)c2ccc(Br)cc2)NC1=O 12419074 CSCSIQBUYKBJIC-FNQVVVRFSA-N 340.246 3.171 30 40 EGEB CC(C)(C)C(=O)N1CCC(=NOCc2ccc([N+](=O)[O-])cc2)CC1 54208550 MUIQGRIZNPYUIJ-UHFFFAOYSA-N 333.388 3.136 30 40 EGEB C#CCOc1ccc(OC)cc1/C=N/NCc1ccc(Cl)cc1 10118695 PGDINPLGBOHIAO-FYJGNVAPSA-N 328.799 3.484 30 40 EGEB C=CCN(c1ccccc1C(=O)OC)S(=O)(=O)c1ccc(C)cc1 8729448 UAAGHZAJIRLOMX-UHFFFAOYSA-N 345.420 3.163 30 40 EGEB C[C@@H]1C[C@H]1c1ccc(CN(CC(=O)N[C@@](C)(C#N)C2CC2)C2CC2)o1 48043115 ZWUPXVBEWYSVCT-DUXSXAKTSA-N 341.455 3.176 30 40 EGEB C=CCNC(=O)c1ccccc1NC(=O)Cc1ccccc1Cl 22614232 FYDDOBQBJVLQHX-UHFFFAOYSA-N 328.799 3.437 30 40 EGEB O=S(=O)(/N=C(\c1ccccc1)N1CCCCC1)c1ccccc1 13115131 ZLBSWMRNLORGOF-VHEBQXMUSA-N 328.437 3.308 30 40 EGEB C=CCOc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cn2)cc1OCC 4048038 DUWVEGANHKDYLO-YBFXNURJSA-N 342.355 3.399 30 40 EGEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCC[C@@H]4COC)[C@H]3C[C@@H]12 4088696 LYZJRMREVMQKQK-OETXXJDVSA-N 347.499 3.411 30 40 EGEB biogenic N#Cc1cccc(NC(=O)Nc2ccn(CCc3ccccn3)n2)c1 65590082 QSJYQRLIUPKVNB-UHFFFAOYSA-N 332.367 3.036 30 40 EGEB CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCc1cccs1 65930041 OCJQXQUSYVFIRS-UHFFFAOYSA-N 341.480 3.143 30 40 EGEB N#Cc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1 6510005 GUPBSVGUTVPHTA-UHFFFAOYSA-N 326.299 3.378 30 40 EGEB N#Cc1c(-c2ccccc2OCCn2ccnc2)cc(C2CC2)nc1N 67692224 PNGQEWFDBDLEFR-UHFFFAOYSA-N 345.406 3.355 30 40 EGEB CC(C)=C/C(O)=N/S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 71883903 SGFRMBKPUNISFC-UHFFFAOYSA-N 325.283 3.456 30 40 EGEB CCOc1ccc(NC(=O)[C@@H](C)Sc2cc(C#N)ccn2)cc1 71918474 XHQIRFSUUMAIKS-GFCCVEGCSA-N 327.409 3.471 30 40 EGEB C#CCOC(=O)/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2OCC)o1 226257852 CNMODBIRNGOYNA-JXMROGBWSA-N 341.319 3.443 30 40 EGEB CN1C(=O)c2ccccc2[C@@H](/C(O)=N/c2ncn[nH]2)[C@H]1c1ccccc1 95474268 JUPHXOAVMVZLAO-HZPDHXFCSA-N 347.378 3.003 30 40 EGEB N#Cc1cc(N2CCCN(c3nccs3)CC2)nc2ccccc12 96412858 YKGOUHRPZWHGEQ-UHFFFAOYSA-N 335.436 3.280 30 40 EGEB CCOC(=O)COc1ccc(/C=C2/COc3ccccc3C2=O)cc1 584907694 DHZSYFCGZYUWPI-PTNGSMBKSA-N 338.359 3.287 30 40 EGEB C=CCn1nnc(NCc2ccc(-c3ccc(OC)c(Cl)c3)o2)n1 32617078 BBZXGNFMLIQCMM-UHFFFAOYSA-N 345.790 3.393 30 40 EGEB S=C(NCc1ccccc1)NN=C1CCN(C2CCCC2)CC1 54865668 SBGOEXLGIPJHLU-UHFFFAOYSA-N 330.501 3.045 30 40 EGEB N#Cc1cccnc1N1CCN(c2cccc(C(F)(F)F)c2)CC1 24106646 DGDHWUCQXRPPBD-UHFFFAOYSA-N 332.329 3.299 30 40 EGEB CCOC(=O)c1sc(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)c(C#N)c1C 102125331 IXHJDQFQQLWVEX-IJLUTSLNSA-N 332.425 3.480 30 40 EGEB C=CCCO[C@H](C)C(=O)Nc1nc(C(C)C)c(C(=O)OCC)s1 89984814 HUGLSSGMOVIDOU-LLVKDONJSA-N 340.445 3.363 30 40 EGEB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)cc1 2633997 KJZHLZBBVBIRSL-KRWDZBQOSA-N 339.370 3.090 30 40 EGEB C[C@@H]1Cc2ccccc2N1CC(=O)Nc1sc2c(c1C#N)CCC2 3432958 BBEMVEIKRJPHHO-GFCCVEGCSA-N 337.448 3.498 30 40 EGEB CN(C(=O)COC(=O)c1ccc(Cl)cc1)C1(C#N)CCCCC1 5077703 RGPWTVKQDMRFSH-UHFFFAOYSA-N 334.803 3.182 30 40 EGEB Cc1cnccc1NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 83577337 BBYDGCPZQBMPLQ-UHFFFAOYSA-N 341.314 3.081 30 40 EGEB Cc1nc(CCCC(=O)N[C@H](C#N)c2ccc(F)cc2F)cs1 96455634 ZYJLMMPSSMDNCG-OAHLLOKOSA-N 335.379 3.434 30 40 EGEB N#Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccncc2)cc1 8457498 HBTWENUPXUAOHL-LJQANCHMSA-N 349.415 3.021 30 40 EGEB N#Cc1ccnc(SCc2nc3c(oc4ccccc43)c(=O)[nH]2)c1 69534072 WGMKPEKHUNKRTJ-UHFFFAOYSA-N 334.360 3.228 30 40 EGEB N#Cc1cc(NC(=O)Cc2ccccc2C(=O)O)ccc1-n1cccc1 72400906 UWBILMGUGNNOEF-UHFFFAOYSA-N 345.358 3.228 30 40 EGEB COc1cc(/C=N\N=C\c2ccc(N(C)C)cc2)cc(OC)c1OC 31729021 PBGDGLSZMSSPQA-STLXZYOISA-N 341.411 3.231 30 40 EGEB CC[C@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)[C@H]1CCCO1 96493486 HUWBNPBSIJZTMR-VQTJNVASSA-N 327.472 3.070 30 40 EGEB COC[C@]1(C#N)[C@@H](c2ccc(C)cc2)[C@H]1S(=O)(=O)c1ccccc1 252514954 FKTFUAWAFDBREG-IPMKNSEASA-N 341.432 3.091 30 40 EGEB N#Cc1ccc(OC2CCN(C(=O)c3cc4ccccc4o3)CC2)nc1 90607633 PFJDNQRAMVGZFB-UHFFFAOYSA-N 347.374 3.383 30 40 EGEB N#Cc1ccc(CS(=O)(=O)Nc2cc(-c3ccccc3)on2)cc1 95448005 BPJWCIGSTDRDAE-UHFFFAOYSA-N 339.376 3.155 30 40 EGEB COc1ccc(C(=O)/C=C\c2ccc(OC)c(OC)c2OC)c(O)c1 5492980 DOMQQVLOFWGMFV-UITAMQMPSA-N 344.363 3.323 30 40 EGEB C=CCn1c(=O)n2nc(-c3ccco3)nc2c2c(C)c(C)sc21 32092151 LCZUMTBGORTIHY-UHFFFAOYSA-N 326.381 3.169 30 40 EGEB COc1ccc([C@@H]2/C(=C(/C)O)C(=O)C(=O)N2c2ccc(F)cc2)cc1 102431595 GMPNMVHBJCPPJS-ABPVARSCSA-N 341.338 3.323 30 40 EGEB CSc1ccc([C@@H]2C3=C(CCCC3=O)Nc3[nH]nc(O)c32)cc1 12347185 PTJSGRZVMCHBPK-CYBMUJFWSA-N 327.409 3.402 30 40 EGEB C=CCOc1ccc(/C=C/C(=O)N(C)C2(C#N)CCC2)cc1OC 48274193 HCDDIERFGWZZMA-VQHVLOKHSA-N 326.396 3.178 30 40 EGEB Cc1cccc(OCCN2C(=O)/C(=N\O)c3cccc(Cl)c32)c1 46084730 ODJXGVHURYIWQR-CYVLTUHYSA-N 330.771 3.252 30 40 EGEB CCCC(C#N)(CCC)NC(=O)c1cnc(-c2ncccn2)s1 84740382 XFINVZLYSRFJHE-UHFFFAOYSA-N 329.429 3.192 30 40 EGEB CC/C(=N\Nc1ccccc1C(=O)O)c1ccc2c(c1)CC(=O)N2C 96035571 IOBWARXEIYYORN-HMMYKYKNSA-N 337.379 3.130 30 40 EGEB C=CCn1cnnc1S[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 7634180 ABSLCAAGXPLPMO-JTQLQIEISA-N 347.831 3.108 30 40 EGEB Cc1cc(OCC(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)no1 71889121 QSWYVZICAHBKMJ-LLVKDONJSA-N 340.166 3.050 30 40 EGEB N#Cc1cccc([C@@H]2CC(c3cccc(O)c3)=NN2c2ncccn2)c1 69179705 BKHZRBYXNNDJFH-IBGZPJMESA-N 341.374 3.410 30 40 EGEB Cn1cc(S(=O)(=O)/N=C(\O)Cc2cccc(F)c2)c2ccccc21 95446118 DSJFYAPJZCDOSU-UHFFFAOYSA-N 346.383 3.205 30 40 EGEB CC(C)(CO)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 79059498 OWORSFPEIITQOR-UHFFFAOYSA-N 325.368 3.243 30 40 EGEB CO[C@H](C)C(=O)Nc1cccc(NC(=O)Nc2ccc(C#N)cc2)c1 58005628 WIOOVOHRVXJTLV-GFCCVEGCSA-N 338.367 3.176 30 40 EGEB N#Cc1cccc(NC(=O)NCc2nccn2Cc2ccccc2)c1 96433708 GPDBAGOIYKILCR-UHFFFAOYSA-N 331.379 3.125 30 40 EGEB O=C1CCCC(=O)C1=Nc1ccc(C(=O)NC2CCCCC2)cc1 16400952 BDEOIBRBWKGADD-UHFFFAOYSA-N 326.396 3.144 30 40 EGEB COC(=O)c1ccc(/N=C/c2ccc(O[C@H](C)C(=O)O)cc2)c(C)c1 59248008 ISHCSRKNHQVXMS-AYPRBGQRSA-N 341.363 3.384 30 40 EGEB C=CCOc1cccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1 52410874 JKHGHZFWEATDFC-UHFFFAOYSA-N 346.408 3.011 30 40 EGEB O=C1Nc2ccccc2[C@]1(O)C/C(=N\O)c1ccc2ccccc2c1 104286096 JZWCJJYBAYUZIP-FCKILEINSA-N 332.359 3.248 30 40 EGEB CC(C)(C)c1ccc(NC(=O)CO/N=C(/N)c2ccccc2)cc1 5295516 BRNCQBUMUXZKMN-UHFFFAOYSA-N 325.412 3.260 30 40 EGEB O=c1nc(N/N=C/c2ccccc2)sc2ccc([N+](=O)[O-])cc12 4522491 SQELCCSWIASARI-CXUHLZMHSA-N 326.337 3.011 30 40 EGEB Cc1cc(NC(=O)CCCOc2cccc(F)c2)n(CCC#N)n1 68218580 JYPYBFZICAFDRM-UHFFFAOYSA-N 330.363 3.042 30 40 EGEB COc1ccc(-c2ccc(C(=O)N(CC#N)CC#N)c(F)c2)c(F)c1 71884646 IEUIHGDCTNIVOB-UHFFFAOYSA-N 341.317 3.130 30 40 EGEB C[C@H](NC(=O)C(=O)Nc1cccc(C#N)c1)c1ccc(F)cc1Cl 96413533 WJZIGVUABVMPIC-JTQLQIEISA-N 345.761 3.167 30 40 EGEB O=S(=O)(OC[C@@H]1C[C@@H]2C=C[C@H]1C2)c1ccc(Br)cc1 5046175 NOONLCDBDJYHHW-WOPDTQHZSA-N 343.242 3.367 30 40 EGEB CC1=NN(c2ccccc2)/C(=C\c2c(O)cnn2-c2ccccc2)C1=O 17024288 KYRTVXATYRPASQ-PDGQHHTCSA-N 344.374 3.384 30 40 EGEB O=S(=O)(N/N=C/c1ccc2c3c(cccc13)CC2)c1ccccc1 268095 RGNKPJKLRCHQRB-DEDYPNTBSA-N 336.416 3.251 30 40 EGEB N#Cc1cccc(OC2CCN(C(=O)NCc3ccccc3)CC2)c1 103846999 IQTJIBKJIDTMNE-UHFFFAOYSA-N 335.407 3.311 30 40 EGEB Cc1oc(-c2ccsc2)nc1CO/N=C(\N)CN1CCCC[C@H]1C 78639410 ANDSXCBUJVCLFW-GFCCVEGCSA-N 348.472 3.375 30 40 EGEB CCOC(=O)/C(=N\Nc1cccc(C(F)(F)F)c1)N[C@@H](C)CC 3188389 AEGLWNHGHXMCRX-JTQLQIEISA-N 331.338 3.382 30 40 EGEB C[C@@](C#N)(NC(=O)CNc1cccc(C(=O)c2ccccc2)c1)C1CC1 58415444 GKBIDOZRTPXKIZ-NRFANRHFSA-N 347.418 3.138 30 40 EGEB Cc1cccc(N(C)C(=O)C2CCN(c3ccc(C#N)cn3)CC2)c1C 48300086 AGNFHUSMPXKVQD-UHFFFAOYSA-N 348.450 3.450 30 40 EGEB CC1=C/C(=N\Nc2ccc(S(=O)(=O)NC3CC3)cn2)CC(C)(C)C1 46099369 QUCYTVQVVDTZTA-XMHGGMMESA-N 348.472 3.057 30 40 EGEB C=CCn1c(S[C@@H](C)C(N)=O)nnc1-c1ccc(C(C)(C)C)cc1 3402429 HAGBQODZHQLOAM-LBPRGKRZSA-N 344.484 3.395 30 40 EGEB CCCCS(=O)(=O)/N=C(\O)[C@@H](C)Sc1ccc(OC)cc1 48556245 ZMCDYBLBZJVFIN-LLVKDONJSA-N 331.459 3.262 30 40 EGEB C=CCNC(=O)c1ccc(Oc2nccnc2N2CCCCC2)cc1 67323930 SQDITEJGIHZJAK-UHFFFAOYSA-N 338.411 3.175 30 40 EGEB CCOC(=O)C1=C(C)N/C(=C\c2c(Cl)cccc2Cl)C1=O 19859103 BFUPRYMLENYASC-GHXNOFRVSA-N 326.179 3.344 30 40 EGEB C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)CCOC)cc1 70040533 DDUCCEPKRGTYSL-OAHLLOKOSA-N 345.443 3.047 30 40 EGEB N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccnc(C2CC2)n1 610598449 GFOIGOGCSVYMRU-FUHWJXTLSA-N 332.407 3.266 30 40 EGEB Cc1nnc(N2CCC[C@H](c3nc4ccccc4o3)C2)c(C#N)c1C 42103802 BCPJECOFMWFYLL-AWEZNQCLSA-N 333.395 3.490 30 40 EGEB O=C1c2ccccc2C(=O)N1/N=C/c1ccccc1Br 3169121 OVBXLIIEZDHSMS-RQZCQDPDSA-N 329.153 3.079 30 40 EGEB C/C(=N\O)C1=NO[C@H](CNc2ncc(C(F)(F)F)cc2Cl)C1 100067474 BZYBVEXQKZBCRX-QOZVTFESSA-N 336.701 3.161 30 40 EGEB COC(=O)c1ccc2c(c1)C(=O)/C(=C/c1cccc(OC)c1OC)O2 429866 RKHOWZADLLWVAJ-YBEGLDIGSA-N 340.331 3.107 30 40 EGEB Cc1nscc1C(=O)[C@@H](C#N)c1nc(O)c2ccc(Cl)cc2n1 97138740 TUJVOBAMILYQCI-SNVBAGLBSA-N 344.783 3.244 30 40 EGEB CCC[C@@H](C)S(=O)(=O)/N=C(\O)c1cnn(C2CCCC2)c1C 95450055 OWYIEJZKYKFBKZ-LLVKDONJSA-N 327.450 3.130 30 40 EGEB Cn1cc(CCC(=O)N(Cc2ccccc2)c2ccccc2C#N)cn1 69777270 WGDSNDJFZWJAQF-UHFFFAOYSA-N 344.418 3.458 30 40 EGEB Cc1cc(C)c(NC(=O)CNc2ccc(C#N)cc2[N+](=O)[O-])c(C)c1 8777280 YQIVQMFSIJECOF-UHFFFAOYSA-N 338.367 3.442 30 40 EGEB N#Cc1ccc(OCc2cccnc2)c(I)c1 216844647 SPQVUHURVNXHAY-UHFFFAOYSA-N 336.132 3.137 30 40 EGEB CS(=O)(=O)c1ccc(CCNc2ccc(C#N)c(Cl)c2)cc1 78380671 JQKFKJSWMWRIAW-UHFFFAOYSA-N 334.828 3.270 30 40 EGEB C[C@H]1Cc2cccc3c(=O)c(C(=O)Nc4cccc(C#N)c4)cn1c23 225861748 ATLUONSIQJGFKO-LBPRGKRZSA-N 329.359 3.243 30 40 EGEB CCO[C@@]1(C(=O)Nc2ccc(OC(C)=O)cc2C#N)CCC[C@H](C)C1 225833405 GGXFUKJTEMEVLY-DJJJIMSYSA-N 344.411 3.407 30 40 EGEB C=CCNC(=O)c1ccccc1NC(=O)Nc1cccc(OC)c1 225760406 XCXNMJUDAVJQPD-UHFFFAOYSA-N 325.368 3.255 30 40 EGEB Cc1cc(C)nc([C@H](C#N)C(=O)[C@H]2C[C@H]2c2c(F)cccc2F)n1 245343982 WTJDQNMJDFJAAR-FRRDWIJNSA-N 327.334 3.352 30 40 EGEB N#CC1(CCCn2nnc(-c3ccc(Cl)cc3)n2)CCOCC1 252490368 KRCMYNNFQGGHNL-UHFFFAOYSA-N 331.807 3.094 30 40 EGEB N#CC1(C(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)CCCC1 56096867 CBXARJRIRFXULM-UHFFFAOYSA-N 331.379 3.419 30 40 EGEB CN(Cc1ccccc1C#N)C1CCN(CCc2ccccn2)CC1 78969131 WTMJPYSHVULXAS-UHFFFAOYSA-N 334.467 3.092 30 40 EGEB O=S(=O)(c1ccc(/N=C/c2ccccc2O)cc1)N1CCCCC1 358116 LQQQAWAOPATSTM-XMHGGMMESA-N 344.436 3.317 30 40 EGEB O=C(CO/N=C/c1ccc(Cl)cc1)N1CCC(c2ccccc2)=N1 14334918 AKWFTALLIMOYJE-UDWIEESQSA-N 341.798 3.327 30 40 EGEB O=C1N/C(=N/c2cccc(O)c2)S/C1=C\c1cccc([N+](=O)[O-])c1 5593550 AQGJOQSLPDCUSR-ZSOIEALJSA-N 341.348 3.192 30 40 EGEB CCOc1c(Br)cc(/C=C2/C(=O)ON=C2C)cc1OC 34930394 JWMMOLOOYYTZCK-BJMVGYQFSA-N 340.173 3.173 30 40 EGEB Cc1n[nH]c(N/C=C2\C(=O)Oc3ccccc3C2=O)c1-c1ccccc1 100644915 LGPIKVFGEKIDHF-PTNGSMBKSA-N 345.358 3.483 30 40 EGEB N#Cc1nc(-c2cccc3ccccc23)oc1N1CCC(C(N)=O)CC1 545295 NDBVBQVEWJWRND-UHFFFAOYSA-N 346.390 3.068 30 40 EGEB O=C1/C(=C/c2csnn2)Cc2c(F)cc(Br)cc21 57932812 KPNYVMMIIKBWBV-LZCJLJQNSA-N 325.162 3.262 30 40 EGEB COc1cc(C(=O)/C=C/c2cccc(OCCC(=O)O)c2)ccc1O 58229798 VVUJMSSYVPJUBJ-FNORWQNLSA-N 342.347 3.150 30 40 EGEB O=c1cc(/C(O)=N/CC/N=C(\O)Cc2ccccc2)c2ccccc2[nH]1 58357520 JPJOXIFQJJEMLY-UHFFFAOYSA-N 349.390 3.032 30 40 EGEB COc1ccccc1CN/N=C/c1ccc(O)c(Br)c1 20761283 YPWKMIAQGHNGDA-RQZCQDPDSA-N 335.201 3.287 30 40 EGEB O=C(C[n+]1cc(-c2ccccc2)n2c1CCC2)Nc1ccccc1F 13768278 GXGVVFMEUGIAQI-UHFFFAOYSA-O 336.390 3.167 30 40 EGEB CN(Cc1ccc(C#N)cc1)C(=O)NCCc1ccc(N(C)C)cc1 65522699 CRFYFNSHAIHCIF-UHFFFAOYSA-N 336.439 3.008 30 40 EGEB N#CCc1ccc(N[C@H](C(N)=O)c2ccc(Br)cc2)cc1 69536248 MPHHFLQBZBTEES-HNNXBMFYSA-N 344.212 3.154 30 40 EGEB CCc1nc([C@H]2CCCN2c2nc(C(F)(F)F)ccc2C#N)no1 72286173 HHVKPPKZVANWDF-SNVBAGLBSA-N 337.305 3.259 30 40 EGEB C[C@@H](CCCO)NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 89895407 HLKMMPIKGAQEGU-ZDUSSCGKSA-N 343.452 3.247 30 40 EGEB COc1cc(OC)cc(C(=O)O/N=C2/C=C(C(C)C)C(=O)C=C2C)c1 408927002 OEJMTNURTCEWHQ-JZJYNLBNSA-N 343.379 3.328 30 40 EGEB Cc1ccc(N(C)CCNC(=S)Nc2ccc(CC#N)cc2)cc1 225795548 DTQINEPACBRKOA-UHFFFAOYSA-N 338.480 3.484 30 40 EGEB N#Cc1c(N)nc(SCc2ccccc2F)nc1C(F)(F)F 225894509 MOTPPOPPZNCMER-UHFFFAOYSA-N 328.294 3.381 30 40 EGEB CCN1CCN(c2ccc(/N=C/c3ccc([N+](=O)[O-])cc3)cc2)CC1 353102 YAEGMRYWHJJABI-HMMYKYKNSA-N 338.411 3.487 30 40 EGEB CCOc1cc(/C=N/N=C(/N)S)ccc1OCc1ccccc1 6078650 CDBXYIKEUNMJMN-YBFXNURJSA-N 329.425 3.243 30 40 EGEB C=C(C)CN(CC)C(=O)CSc1nc(-c2ccc(C)cc2)n[nH]1 5867031 FQJPBUWXKBMGDU-UHFFFAOYSA-N 330.457 3.297 30 40 EGEB NC(=S)N/N=C1\c2ccccc2-c2cc(Br)ccc21 102848239 ZWRGSLGTWZRDMP-GHRIWEEISA-N 332.226 3.015 30 40 EGEB CCOC(=O)C[C@H](/C=C1/C(=O)[C@@]2(C)CC[C@H]1C2(C)C)C(=O)OCC 103210243 KAUNDGKZMCLVBD-FLUSMBEUSA-N 336.428 3.071 30 40 EGEB CC(C)=C/C(O)=N/S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 58411696 NDHJGKYIZHTBQJ-UHFFFAOYSA-N 332.303 3.188 30 40 EGEB O=C1CS/C(=N\N=C\c2ccccc2)N1Cc1ccc(F)cc1 2360048 YWQJIXHGWKYBAB-HCDAPJTOSA-N 327.384 3.291 30 40 EGEB Cc1ccc(-c2csc3ncnc(-n4ncc(C#N)c4N)c23)cc1 36646080 LZHQVDSDDKUEIF-UHFFFAOYSA-N 332.392 3.306 30 40 EGEB C=CCn1c(S[C@H]2CCCCNC2=O)nnc1C1CCCCC1 11471176 NMLXHGZZSKLMHF-AWEZNQCLSA-N 334.489 3.273 30 40 EGEB COC(=O)c1cccc(NC(=O)CSCc2ccc(C#N)cc2)c1 46878805 VZRJESIGAJLOKU-UHFFFAOYSA-N 340.404 3.217 30 40 EGEB C=CCOc1ccc(/C=C/C(=O)Nc2c(C)nn(C)c2C)cc1OC 12914462 PNEKDOXTQQFRBE-CSKARUKUSA-N 341.411 3.262 30 40 EGEB Cc1nc(CO/N=C(/N)c2cccnc2Oc2ccccc2)oc1C 65497398 DPRRPRKKTNGVEH-UHFFFAOYSA-N 338.367 3.316 30 40 EGEB N#Cc1cccc(NC(=O)C(=O)N[C@H]2CCCCc3ccccc32)c1 65614569 YFOZIZUDPZZFRL-SFHVURJKSA-N 333.391 3.081 30 40 EGEB CO/C(O)=N/c1nc(SCc2cccc(C(F)(F)F)c2)n[nH]1 17117891 NJFAAAOMAMNFFY-UHFFFAOYSA-N 332.307 3.308 30 40 EGEB C=CCN[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)cc1F 95964956 HBJAPXNFEUFCLI-KRWDZBQOSA-N 337.391 3.233 30 40 EGEB C=CCc1cc(/C=C2\S/C(=N/C)N(C)C2=O)cc(OCC)c1OC 408844630 DUSYQVYAYIKNMP-QYYFVPBESA-N 346.452 3.354 30 40 EGEB N#Cc1ccc(/C=C2\CCn3c2nc2ccc([N+](=O)[O-])cc2c3=O)cc1 89780945 PMXSPOTZVMYBAK-NTEUORMPSA-N 344.330 3.121 30 40 EGEB CC(C)(C)OC(=O)NC[C@@H]1CCN(Cc2cc(C#N)ccc2F)C1 75582095 DHVMRIAQJVHDOA-AWEZNQCLSA-N 333.407 3.044 30 40 EGEB Cc1ccc(N/N=C(\C#N)S(=O)(=O)c2cc(C)ccc2F)cc1 96511624 MYQUUSVFRHKZJP-CAPFRKAQSA-N 331.372 3.165 30 40 EGEB CC(C)(C)n1cc(/C=C/C(=O)c2nc(Br)cs2)nn1 585136130 RZZWGMUBHYRGJQ-SNAWJCMRSA-N 341.234 3.148 30 40 EGEB C[C@@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@]43CO)[C@H]1CC[C@H]2C(=O)O 254445749 BLYFONBCAVAHLI-OXAWTZHMSA-N 332.440 3.192 30 40 EGEB N#Cc1ccc(S[C@H]2CCN(C3CC3)C2=O)cc1C(F)(F)F 95997454 NMPNUSCXYAXEDG-ZDUSSCGKSA-N 326.343 3.432 30 40 EGEB C=CCO/N=C(\CCC)C1=C(OC)CC(C)(C)[C@@H](C(=O)OC)C1=O 5417225 RMIGVJASGYIICQ-IYSPOMMRSA-N 337.416 3.034 30 40 EGEB CCOc1ccc(/C=C/c2nc(C#N)c(NCCN(C)C)o2)cc1 8323887 INMBTCQOQSZKET-JXMROGBWSA-N 326.400 3.089 30 40 EGEB N#Cc1ccc(N2C[C@H](CCN3CCCC3=O)c3ccccc32)nc1 79047921 JIWCWVUTHURSLF-INIZCTEOSA-N 332.407 3.201 30 40 EGEB C=CCN(CCc1ccccc1)C(=O)Nc1cccc(C(=O)NC)c1 62378695 ZJIHAKBBOLSUMJ-UHFFFAOYSA-N 337.423 3.309 30 40 EGEB N#C[C@@]1(NC(=O)c2cc(C3CC3)nc3ccc(F)cc23)CCSC1 72302833 WOVOEXPDISRBKV-SFHVURJKSA-N 341.411 3.380 30 40 EGEB Cc1ccc(OCC(=O)O/N=C(\N)Cc2ccc(Cl)cc2)cc1 4170142 RMXODHSIBMGBRN-UHFFFAOYSA-N 332.787 3.085 30 40 EGEB C=CCSCC(=O)Oc1ccc(C(=O)Nc2ccccn2)cc1 69652883 QRCVQBMSKLNQJY-UHFFFAOYSA-N 328.393 3.159 30 40 EGEB N#Cc1ccc(S(=O)(=O)Nc2c(F)cccc2N2CCCC2)cc1 69769860 BTVQXTZFOMQMID-UHFFFAOYSA-N 345.399 3.098 30 40 EGEB CCOC(=O)c1ccc2c(c1)CCCN2C(=O)c1sccc1C#N 96467492 KZZPJHPPKSVZBM-UHFFFAOYSA-N 340.404 3.389 30 40 EGEB C[C@@H](Nc1cc(N2CCSCC2)ncn1)c1cccc(C#N)c1 617957491 KIGVYDCEKPQDSL-CYBMUJFWSA-N 325.441 3.075 30 40 EGEB C[C@H]1CC[C@@H](C)N1[C@H]1CCCN(C(=O)CCc2ccc(C#N)cc2)C1 106832072 BSQCDQFQSOUOBZ-QKLQHJQFSA-N 339.483 3.355 30 40 EGEB C[C@H]1C/C(=N/OC(=O)c2ccc(Br)cc2)[C@H](C)CN1C 235781 VECVVFWDMWKASS-SFWGKQECSA-N 339.233 3.322 30 40 EGEB CC1=NN(c2ccccc2)/C(=C/c2c(O)cnn2-c2ccccc2)C1=O 5329667 KYRTVXATYRPASQ-LDADJPATSA-N 344.374 3.384 30 40 EGEB N#Cc1ccc(C(=O)NC[C@H](c2ccsc2)N2CCCC2)cc1 8862586 UJDSKWFUEMWRRT-QGZVFWFLSA-N 325.437 3.187 30 40 EGEB CC(C)OC(=O)C[N+](C)(C)CCO[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C 1821364 IOGAHPAXONVGAW-FRQCXROJSA-N 326.501 3.246 30 40 EGEB COc1cccc2c1ccn2CCNC(=O)c1ccc(N=[N+]=[N-])nc1 108516436 KSTYWEFHGKPNGO-UHFFFAOYSA-N 336.355 3.417 30 40 EGEB O/C(=N\c1nc(-c2cccs2)n[nH]1)c1cccc(-n2ccnc2)c1 95398302 WOHSFYPGDIYDEX-UHFFFAOYSA-N 336.380 3.355 30 40 EGEB CC(C)c1nc(C#N)c(N/N=C/c2ccccc2OCCN(C)C)o1 35671311 LBSUIYKUNQLTAF-UDWIEESQSA-N 341.415 3.056 30 40 EGEB N#CC1(C(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)CCCC1 95417399 OBNDGDPDPLDGMV-CYBMUJFWSA-N 327.211 3.227 30 40 EGEB COc1ccccc1NC(=O)COc1ccc(/C=N\O)cc1Cl 108254515 ZELNZWVQNHYHIT-NVMNQCDNSA-N 334.759 3.174 30 40 EGEB O=C(/C=C/c1cc2c(cc1Br)OCO2)c1ccccn1 10434354 NBXRXCRICNNUIR-SNAWJCMRSA-N 332.153 3.469 30 40 EGEB N#Cc1c(CN2CCC[C@@H](c3noc(C4CC4)n3)C2)cn2ccccc12 72299938 QQWKFEXVRXSLLP-OAHLLOKOSA-N 347.422 3.451 30 40 EGEB C=CCn1c(S)nnc1CCC(=O)Nc1ccc(C)c(Cl)c1 4694532 HTLJCJFKLHEWIA-UHFFFAOYSA-N 336.848 3.286 30 40 EGEB C/C(=N\Nc1cc(C)nc(N2CCOCC2)n1)c1ccc(Cl)cc1 4811866 HXEFREKIXSEYCK-FYJGNVAPSA-N 345.834 3.111 30 40 EGEB Cc1nc(C(=O)N2CCC[C@H]2CC(=O)c2ccccc2)ccc1C#N 85482917 FOMAMDPCNFHSDD-KRWDZBQOSA-N 333.391 3.139 30 40 EGEB CC[C@@H](C)Oc1ccc(C=Nn2c(O)nc3ccccc3c2=O)cc1 409363508 WVXARWAVFGPLCD-CYBMUJFWSA-N 337.379 3.162 30 40 EGEB COc1cc([C@@H]2CC(=O)OC3=C2C(=O)CC(C)(C)C3)cc2c1OCO2 524729421 STQDWYRQIYTPLT-NSHDSACASA-N 344.363 3.098 30 40 EGEB biogenic CCCCCCCCNS(=O)(=O)c1cccc2nsnc12 98023330 PLMGHIRAPRFPKU-UHFFFAOYSA-N 327.475 3.330 30 40 EGEB CC(C)(C#N)c1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1 25438048 UEIYUVXPKPVPJM-UHFFFAOYSA-N 339.351 3.413 30 40 EGEB C[C@]12CN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@]3(C#N)C[C@H]1CC[C@@]23C 101023514 KDABRWTZSUITBK-QCSYZSNVSA-N 325.368 3.139 30 40 EGEB Cc1cccc(CN2CCN(Cc3cn4ccccc4c3C#N)CC2)c1 84210718 SCCRWIPODWVJDS-UHFFFAOYSA-N 344.462 3.437 30 40 EGEB C=CCSc1nnc(NC(=O)COc2ccc(C)c(C)c2)s1 2627713 IAENXOCCUWYEOL-UHFFFAOYSA-N 335.454 3.451 30 40 EGEB CN(C)CCCSc1nc(N2CCCC2)c2c(c1C#N)CCCC2 6661892 KWCYMHUKBDPLNJ-UHFFFAOYSA-N 344.528 3.476 30 40 EGEB Cc1cc(C)n(CC(=O)c2c(C)n(C)c3ccccc23)c(=O)c1C#N 7463046 BRPJACJIHMGVEP-UHFFFAOYSA-N 333.391 3.020 30 40 EGEB CCn1c(SCC(=O)c2ccc(C#N)cc2)nnc1-c1cccnc1 8883084 FIPJDFPOHZAWDI-UHFFFAOYSA-N 349.419 3.207 30 40 EGEB CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc(C#N)cs1 84116327 XLTFLMCXRPMORA-MRXNPFEDSA-N 339.464 3.214 30 40 EGEB CCCN1C(=O)/C(=C\c2ccc(OCC#N)c(OC)c2)SC1=S 409345819 MGKDFYXSPUMSMY-GXDHUFHOSA-N 348.449 3.209 30 40 EGEB COc1cccc(/C=N\c2ccc3c(c2)OCO3)c1O[C@@H](C)C(=O)O 409232321 QBFDGZCVRCRHDM-FBRGWYAUSA-N 343.335 3.026 30 40 EGEB COc1cc(/N=C2\C(=O)Nc3ccc(Cl)cc32)cc(OC)c1OC 77024225 AUUUDDAOJPTHJL-UHFFFAOYSA-N 346.770 3.439 30 40 EGEB COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc2[nH]ccc2c1 32073178 CROYPWBRXLWGEJ-SFHVURJKSA-N 336.391 3.309 30 40 EGEB CCn1cc(/C(O)=N/S(=O)(=O)[C@H](C)CC(C)C)c(C(C)C)n1 77957117 YVKWEEUFMHARHA-GFCCVEGCSA-N 329.466 3.095 30 40 EGEB N#Cc1ccc(OC2CCN(C(=O)c3ccccc3Cl)CC2)nc1 90607622 JDOXKVKRWFGEEE-UHFFFAOYSA-N 341.798 3.290 30 40 EGEB CC(C)(C)OC(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 204915678 KRSYLKPJONMFFI-UHFFFAOYSA-N 336.212 3.009 30 40 EGEB N#Cc1ncccc1N1CCC(COc2ccncc2Cl)CC1 1889103538 HJJXDXGPLUAJGK-UHFFFAOYSA-N 328.803 3.297 30 40 EGEB CC(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccccc1Cl 34823 LLWWBZYVOKZLTM-HNNXBMFYSA-N 331.755 3.418 30 40 EGEB CCCCc1c2c(nn1C(C)=O)C(=O)C=C(Nc1ccccc1)C2=O 1866239 PJWUWOBDVXLULT-UHFFFAOYSA-N 337.379 3.261 30 40 EGEB Cn1c(SCC(=O)NC2(C#N)CCCCCC2)nc2ccccc21 42677020 OOUCXWHYHXYHST-UHFFFAOYSA-N 342.468 3.398 30 40 EGEB CCCC[C@H](ON=C(C)C)C(=O)N1CCC[C@@H](n2cc(C)cn2)C1 95468848 IJYYCFMQNGQBRJ-SJORKVTESA-N 334.464 3.326 30 40 EGEB CCN1C(=O)N/C(=C/c2ccccc2OCc2ccccc2C#N)C1=O 409239406 NEXBWGQOOGPVNJ-GZTJUZNOSA-N 347.374 3.050 30 40 EGEB CC(=O)Nc1ccc(/C(C)=N/O[C@H](C)C(=O)N(C(C)C)C(C)C)cc1 14397946 YGRAUBBIFHFDIW-HFITWMCCSA-N 347.459 3.420 30 40 EGEB Cc1cccc(/N=C2/NC(=O)[C@H](Cc3ccccc3[N+](=O)[O-])S2)c1 5533045 RRSCHJJCDBRLLU-HNNXBMFYSA-N 341.392 3.365 30 40 EGEB COC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O 9575778 YUSBAAYEVJTEMA-PKSBALPTSA-N 342.322 3.382 30 40 EGEB C=CCN(CCc1ccccc1)C(=O)Nc1ccn(CC(F)F)n1 72313321 ULRYYKMYBSNQRY-UHFFFAOYSA-N 334.370 3.411 30 40 EGEB CCOC(=O)c1cccc(/N=C\c2ccc(N3CCOCC3)cc2)c1 409108031 VCDLDODEXLKFFT-QNGOZBTKSA-N 338.407 3.451 30 40 EGEB CCOC(=O)COc1cc(/C=N\Nc2ccccc2)ccc1OC 409198912 AFKQDZUUJQETAY-UNOMPAQXSA-N 328.368 3.083 30 40 EGEB CC(=O)c1ccccc1OCCSc1nc(C)nc(C)c1C#N 25960843 LEGLVTZZLMVODX-UHFFFAOYSA-N 327.409 3.339 30 40 EGEB CS(=O)(=O)CCCNc1cccc(Oc2ccc(C#N)cc2)c1 96476389 UBPLRALJSDWBII-UHFFFAOYSA-N 330.409 3.197 30 40 EGEB C=CCNC(=O)CCCn1cc(-c2cccc(Br)c2)cn1 252499851 SGLIZTVZGNMMSR-UHFFFAOYSA-N 348.244 3.395 30 40 EGEB COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)NC(=S)[C@@H]2C#N)cc1 5231382 NMOREFXOAWLKJQ-CJNGLKHVSA-N 340.448 3.492 30 40 EGEB C=CCn1c(S)nnc1-c1sc(NC(=O)CC(C)C)nc1C 30672593 CUDFHXJYKKJOLL-UHFFFAOYSA-N 337.474 3.169 30 40 EGEB CC(C)OC(=O)C[N+](C)(C)CCO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 100731441 IOGAHPAXONVGAW-GPMSIDNRSA-N 326.501 3.246 30 40 EGEB N#CCc1ccc(OC[C@@H](O)CN2CCC[C@H]2c2ccccc2)cc1 54993535 SIMVSEIQFYZBSC-FPOVZHCZSA-N 336.435 3.329 30 40 EGEB C[C@@H]1C[C@H](Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C(=O)O1 95395941 BROHFMBWPDHMGX-PXAZEXFGSA-N 340.354 3.392 30 40 EGEB N#Cc1ccc(/C=C/C(=O)NCc2ccc(-n3ccnc3)cc2)cc1 58282634 BQZBEMARSSWMCM-JXMROGBWSA-N 328.375 3.074 30 40 EGEB CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1nc(-c2cccs2)n[nH]1 9155157 PTGLAVMBRKPGTG-ZUZCIYMTSA-N 349.485 3.068 30 40 EGEB COc1ccc(C#N)cc1NC(=O)CC1(C(=O)O)CCCCCC1 64611674 QNYXPCKUMZHYHO-UHFFFAOYSA-N 330.384 3.321 30 40 EGEB Cc1nc(-c2cccc(C(=O)N[C@H](C#N)c3ccccc3F)c2)no1 96423676 IKZJGZMXOUSWQG-MRXNPFEDSA-N 336.326 3.179 30 40 EGEB CC[C@H](NC[C@@H](O)c1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 95984562 LNMLDUQBCZYEMI-ZWKOTPCHSA-N 338.407 3.104 30 40 EGEB Cc1cc(/N=C/c2ccc(OCC(N)=O)cc2)ccc1Br 408966029 YRKPLQZAFQFDEY-DJKKODMXSA-N 347.212 3.372 30 40 EGEB N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@@H]1[C@H]1CCCOC1 566159781 PXPZSMXRYXTUHD-QWHCGFSZSA-N 325.334 3.367 30 40 EGEB COC(=O)c1ccccc1C/C(C)=N/Nc1ccc([N+](=O)[O-])cc1 5382179 KZFAAFVIWMMXKP-LDADJPATSA-N 327.340 3.412 30 40 EGEB CCc1ccccc1N1C[C@@H](C(=O)OCc2ccc(C#N)cc2)CC1=O 5037575 NXKVMHWCQUOEMC-SFHVURJKSA-N 348.402 3.217 30 40 EGEB CC(C)(C)OC(=O)[C@@H]1CCCN1/C=C/C(=O)C(F)(F)C(F)(F)F 5383685 NEVCULJWYTWTDH-ORZBULNSSA-N 343.292 3.073 30 40 EGEB N#Cc1ccc(Cl)cc1NC(=O)c1ccnc(O[C@H]2CCOC2)c1 245170798 XGVKKDDBNCAWRT-AWEZNQCLSA-N 343.770 3.027 30 40 EGEB C=CCNC(=O)c1ccccc1NC(=O)Cc1cc(C)ccc1OC 32768337 OYFGHQAQIBXBJN-UHFFFAOYSA-N 338.407 3.101 30 40 EGEB CC1CC(C#N)(C(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)C1 79097247 KYBNMVPALZSLFT-UHFFFAOYSA-N 328.803 3.463 30 40 EGEB C#CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 43867384 IISRBJULQYVYGV-LJQANCHMSA-N 349.386 3.392 30 40 EGEB C=CCn1/c(=N/C(=O)c2ccc([N+](=O)[O-])o2)sc2cccc(C)c21 100909678 NDJLHRAWRWNVRQ-MSUUIHNZSA-N 343.364 3.440 30 40 EGEB Cc1ccn(Cc2cc(-c3ccc(Cl)cc3)no2)c(=O)c1C#N 97114970 QSNIBVBCVZVSLX-UHFFFAOYSA-N 325.755 3.385 30 40 EGEB N#Cc1cnn(C(=O)c2cc3ccccc3n2Cc2ccccc2)c1N 64447753 MAYQIFMGHPYNEJ-UHFFFAOYSA-N 341.374 3.028 30 40 EGEB N#Cc1ccccc1S(=O)(=O)Oc1ccccc1C(F)(F)F 14099031 IQSZTPIHZUIRKZ-UHFFFAOYSA-N 327.283 3.345 30 40 EGEB Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/O)cc2Cl)cc1 408947136 ZPSJSBGMRQUUMW-CXUHLZMHSA-N 325.773 3.224 30 40 EGEB CC(=O)Nc1ccc(S[C@H](C)C(=O)NC2(C#N)CCCCC2)cc1 7028200 YYLGXBJTZLJMFZ-CYBMUJFWSA-N 345.468 3.468 30 40 EGEB CC(C)Cn1cc(NC(=O)[C@@H](C#N)c2nc3ccccc3s2)cn1 95453868 HWXBUXDNZXZGCO-CYBMUJFWSA-N 339.424 3.395 30 40 EGEB N#C[C@H](NC(=O)c1ccnnc1)c1ccc(OCc2ccccc2)cc1 90521332 STTYPUAEOFTFRO-IBGZPJMESA-N 344.374 3.050 30 40 EGEB O=C(C[n+]1cc(-c2ccccc2)n2c1CCC2)c1cccc([N+](=O)[O-])c1 16955740 KKOAQWUNFOZYKL-UHFFFAOYSA-N 348.382 3.180 30 40 EGEB CC(=O)NCCC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 69817908 XIZZNNNJTHHXPR-ZDUSSCGKSA-N 347.827 3.166 30 40 EGEB N#Cc1ccc(N2CCC(NC(=O)c3cccc4[nH]ccc34)CC2)cc1 81616191 AOEFPOXRBVFQFK-UHFFFAOYSA-N 344.418 3.438 30 40 EGEB C#C[C@@H](NC(=O)c1cccc(SC(F)(F)F)c1)[C@@H]1CCCO1 583651834 UBVWEBNZSIHDEU-OLZOCXBDSA-N 329.343 3.209 30 40 EGEB CC(C)(C)CC(=O)N1CCC(=NNc2ccc(C(=O)O)cc2)CC1 60417669 PGVDRVLQPJHRRK-UHFFFAOYSA-N 331.416 3.211 30 40 EGEB CC[C@@](C)(C#N)C(=O)N1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 590914731 XRNLBTVSEYPHQT-JSGCOSHPSA-N 332.366 3.134 30 40 EGEB Cc1sc(NC(=O)CCS(=O)(=O)c2ccccc2)c(C#N)c1C 4570324 YMQIOAXMHSOVPZ-UHFFFAOYSA-N 348.449 3.039 30 40 EGEB COc1cccc(N2C(N)=C(c3ccc(Cl)cc3)C(=O)[C@H]2C)c1 3171599 JFLASOFFBOSDKP-LLVKDONJSA-N 328.799 3.454 30 40 EGEB C/C(=N\Nc1ccc(S(N)(=O)=O)cc1)C12CC3CC(CC(C3)C1)C2 57581748 VAMIQBCLRLKPAE-UDWIEESQSA-N 347.484 3.338 30 40 EGEB Cc1cc(NC(=O)COc2ccc(C(C)C)cc2)n(CCC#N)n1 58226685 FLFOEOFTNQRGSI-UHFFFAOYSA-N 326.400 3.246 30 40 EGEB C[C@@H]1CCCN(C(=O)C2CCN(Cc3cc(C#N)ccc3F)CC2)C1 45804421 VLVMUVNZJWPWSD-OAHLLOKOSA-N 343.446 3.168 30 40 EGEB CC(C)C[C@H](C)S(=O)(=O)/N=C(\O)[C@@H]1C[C@@H]1c1cccc(C#N)c1 83147745 ZQYXUZBTWHNSMK-APHBMKBZSA-N 334.441 3.383 30 40 EGEB CCCC/N=C1\NC(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2)S1 5868245 CYGFGYXNJZTYIC-LBPRGKRZSA-N 339.848 3.056 30 40 EGEB C=CCCO[C@H](C)C(=O)OC1CCN(c2ccc(Cl)cn2)CC1 69982890 CAGPPJMIPQVEBO-CYBMUJFWSA-N 338.835 3.228 30 40 EGEB CC(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccc(C#N)cc1 8935329 XKSWNMDTWCCBJN-UHFFFAOYSA-N 328.755 3.432 30 40 EGEB CC[S@](=O)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 89104773 ZJZSXDCDQKIZHD-HSZRJFAPSA-N 329.421 3.414 30 40 EGEB N#Cc1c[nH]nc1NS(=O)(=O)c1ccc(C2CCCCC2)cc1 91052292 OKQCTGUIBOGPCI-UHFFFAOYSA-N 330.413 3.130 30 40 EGEB Cc1c(Br)cc(B2OC(C)(C)C(C)(C)O2)c(F)c1F 642814519 KJTHQRXJQGYGDU-UHFFFAOYSA-N 332.981 3.335 30 40 EGEB CC1CCN(C[C@H]2C(=O)O[C@@]34[C@H]2CC[C@@H](C)[C@@H]3CC[C@@]2(C)O[C@H]24)CC1 12858510 AHWYTPJLSKLEDB-NHGFTMMOSA-N 347.499 3.244 30 40 EGEB biogenic CCOC(=O)COc1ccc2c(c1C)O/C(=C\c1ccco1)C2=O 5399031 YQJUHPRMRQKTMT-DHDCSXOGSA-N 328.320 3.146 30 40 EGEB N#Cc1ccccc1COc1ccc(C(=O)NCc2cccnc2)cc1 32486286 WWHLANNUAKLHTH-UHFFFAOYSA-N 343.386 3.462 30 40 EGEB N#CC1(C(=O)Nc2cccc(I)c2)CCCC1 32808601 CFTSBKDILZKUBC-UHFFFAOYSA-N 340.164 3.314 30 40 EGEB CC(C)c1cc(C(=O)[C@H](C#N)C(=O)NC2CCCC2)nn1C(C)(C)C 103509765 GRIWVXVRVFMYJB-AWEZNQCLSA-N 344.459 3.143 30 40 EGEB N#Cc1ccc(CO/N=C/C(=O)Nc2ccc(F)cc2F)c(F)c1 77571280 SUXGDYLUSYQEPA-ODCIPOBUSA-N 333.269 3.117 30 40 EGEB O=C(O)ON1C(=O)C[C@@H](CC2c3ccccc3-c3ccccc32)C1=O 100436662 XRKZNPPUHJQFFE-LLVKDONJSA-N 337.331 3.174 30 40 EGEB Cc1nc2ccccc2c(=O)n1/N=C/c1ccc(OC(F)F)cc1 3299928 AYYRJQGZYRCGGX-KEBDBYFISA-N 329.306 3.189 30 40 EGEB O=S(=O)(/N=C(\O)CCc1cc(F)ccc1F)c1ccc(F)cc1 58168298 WKSOGAXBOGGETH-UHFFFAOYSA-N 343.326 3.382 30 40 EGEB C[C@H](O/N=C/c1ccc2c(c1)OCO2)C(=O)Nc1cccc(Cl)c1 3322631 IDMYTVOYBOEYER-LOMXTUQMSA-N 346.770 3.446 30 40 EGEB COc1cc(CCC(=O)Nc2cccc(C#N)c2)cc(OC)c1OC 3420864 OQUPMKWOUBMTHG-UHFFFAOYSA-N 340.379 3.155 30 40 EGEB N#Cc1ccc(CNC2CCN(C(=O)c3ccccc3F)CC2)cc1 48712583 IXOHSFSKDMWCQH-UHFFFAOYSA-N 337.398 3.092 30 40 EGEB Cc1cccc(N2C[C@@H](c3noc(-c4cccc(C#N)c4)n3)CC2=O)c1 49060372 WUNAJBVRJDFMKS-INIZCTEOSA-N 344.374 3.437 30 40 EGEB COc1ccc([C@H](NS(=O)(=O)c2ccc(C#N)cc2)C(C)C)cc1 14187244 OOONTQWIEZEGGI-GOSISDBHSA-N 344.436 3.242 30 40 EGEB N#C[C@H](c1ccccc1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 14157664 DOYHJLLMOHXSBQ-GOSISDBHSA-N 339.826 3.363 30 40 EGEB COc1ccc([C@@H]2CCCN2C(=O)COc2ccccc2C#N)cc1 14171600 ZOEGHXXGHCSFCV-SFHVURJKSA-N 336.391 3.309 30 40 EGEB CN1CCc2c(NC(=O)N(CCC#N)Cc3cccnc3)cccc21 95413331 BLEWOPDHGYUYNM-UHFFFAOYSA-N 335.411 3.022 30 40 EGEB N#Cc1ccc(COC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1 4988838 PXFYZOUJWSTLJM-LJQANCHMSA-N 337.375 3.473 30 40 EGEB CCOC(=O)c1ccc(/N=C/c2cn(CC(N)=O)c3ccccc23)cc1 409386994 YHGSQHWXINHXQH-SSDVNMTOSA-N 349.390 3.054 30 40 EGEB C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCCC2=O)cc1 7641664 LRUBMEQPVQNSPK-AWEZNQCLSA-N 349.390 3.091 30 40 EGEB COc1ccccc1N(CC(F)(F)F)C(=O)c1cc(C#N)cn1C 80974773 QZCJFXSLGYXSIY-UHFFFAOYSA-N 337.301 3.114 30 40 EGEB Cc1csc([C@H](C#N)C(=O)C(C)(C)c2ccc3c(c2)OCCO3)n1 69709739 ITPAVORADSTHAK-CYBMUJFWSA-N 342.420 3.377 30 40 EGEB O=S(=O)(/N=C(\O)CCc1cncc(F)c1)c1cccc(Cl)c1 97033159 RCSMDZLWVMMDRY-UHFFFAOYSA-N 342.779 3.152 30 40 EGEB C=CCN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccc(C)cc1 224685436 RQAHTNIVBAXYAU-UHFFFAOYSA-N 345.420 3.163 30 40 EGEB CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OC(C)=O)c(C#N)c1 225820810 LDUGAEVLYUXVKT-SFHVURJKSA-N 332.400 3.263 30 40 EGEB CC[C@@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)[C@@H]1CCCO1 96493484 HUWBNPBSIJZTMR-UXHICEINSA-N 327.472 3.070 30 40 EGEB C#CCOc1cccc([C@H](C)NC2CCN(Cc3ccccn3)CC2)c1 1616018996 BXVJIAXCAKUXCM-SFHVURJKSA-N 349.478 3.409 30 40 EGEB Oc1ccc(Cl)cc1/C=N/NC(=S)Nc1ccc2cn[nH]c2c1 17417503 UPMYIYPPUGNQDJ-QGMBQPNBSA-N 345.815 3.242 30 40 EGEB COc1cc(/C=N/c2ccc(N(C)C(C)=O)cc2)ccc1OC(C)=O 62361 QLCKWCRKTRCTPF-UDWIEESQSA-N 340.379 3.354 30 40 EGEB CC(C)c1noc(CCCC(=O)N[C@H](C)c2ccc(C#N)cc2)n1 40548512 GPCJPWJYAAVCJA-CYBMUJFWSA-N 326.400 3.265 30 40 EGEB Cc1nc(-c2cccc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3)c2)no1 101372502 DEFQPZNRYWLZME-MRXNPFEDSA-N 346.346 3.006 30 40 EGEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@H](C)c1cccs1 24538803 YDVWAGJBFQVHHV-CYBMUJFWSA-N 343.452 3.077 30 40 EGEB COc1ccc(OC)c(C(=O)O/N=C2/C=C(C(C)C)C(=O)C=C2C)c1 100161575 ZHMHNTLVKZXODI-SILNSSARSA-N 343.379 3.328 30 40 EGEB C=C(Br)CNC(=O)N1CCC[C@@H]1c1ccc(COC)o1 97148038 WHOARPXNNMKZIC-GFCCVEGCSA-N 343.221 3.181 30 40 EGEB COc1ccccc1C1(CNCc2cccc(C#N)c2)CCOCC1 71825393 RFCRAEOFAYEYAB-UHFFFAOYSA-N 336.435 3.405 30 40 EGEB CC(C)(C)C(=O)/C=C1\SCC(=O)N1Cc1cccc([N+](=O)[O-])c1 28915470 RRVLLBXUUDZLQI-NVNXTCNLSA-N 334.397 3.127 30 40 EGEB C=CCNC(=O)Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1 47627685 UOPVPNAWAWLAEO-UHFFFAOYSA-N 327.359 3.314 30 40 EGEB N#Cc1nc(-c2cccnc2)oc1NC[C@H](c1ccco1)N1CCCC1 35672562 CAZUOFUZMZDVIC-MRXNPFEDSA-N 349.394 3.450 30 40 EGEB O=C[C@@H]1[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 225670696 URYHGLJASKDYSV-HRCADAONSA-N 338.787 3.234 30 40 EGEB Cc1cccc(OCc2nnc(-c3ccc(C#N)cc3)o2)c1[N+](=O)[O-] 95438570 MIVPTYXALBUQNT-UHFFFAOYSA-N 336.307 3.404 30 40 EGEB CC[C@H](c1ccc(F)cc1F)N1CCN(C[C@@H](C#N)CCC#N)CC1 96435789 XEGLUJJNSZJOGY-DNVCBOLYSA-N 346.425 3.477 30 40 EGEB C=CCN1C(=O)/C(=C\c2ccc(OC(C)=O)c(OC)c2)SC1=S 5632154 QNRXOBNIXDHCBW-NTEUORMPSA-N 349.433 3.008 30 40 EGEB Cc1cc(C(=O)OCC(=O)N(CCC#N)c2ccc(F)cc2)c(C)o1 3536479 CCNSPUXSNOYACY-UHFFFAOYSA-N 344.342 3.139 30 40 EGEB Cc1ccccc1NC(=O)C[C@H]1S/C(=N/c2ccccc2)NC1=O 6896018 IRHISQBFTLFQRG-OAHLLOKOSA-N 339.420 3.243 30 40 EGEB CCc1c(C)nc(N)c(C#N)c1-c1cc(OC)c(OC)c(OC)c1 20504081 NJKIMJXJRIFWGV-UHFFFAOYSA-N 327.384 3.099 30 40 EGEB CC1=NN(c2ccc(/C(O)=N/c3nc(-c4ccccn4)n[nH]3)cc2)CC1 53527578 VPHANPSVPIKELC-UHFFFAOYSA-N 347.382 3.089 30 40 EGEB COc1ccc([C@H]2Nc3nonc3NC3=C2C(=O)CC(C)(C)C3)cc1 12408712 IMJBNIWEJHIGLE-OAHLLOKOSA-N 340.383 3.300 30 40 EGEB C=CCN(C(=O)/C=C/C(C)(C)C)[C@H](C)c1cccc(-n2cnnn2)c1 95397167 HNNQXJJHCVSTGL-AUECHBEKSA-N 339.443 3.340 30 40 EGEB Cc1nn(C)c(C)c1[C@H](C)C(=O)OCc1cn2ccccc2c1C#N 57603831 JRQCSOZIVHEBAT-LBPRGKRZSA-N 336.395 3.008 30 40 EGEB CSc1nc(O)c(C(=O)N2CCC[C@@H]2c2cccs2)cc1C#N 27610057 JOLWQYNWPJWDKF-GFCCVEGCSA-N 345.449 3.420 30 40 EGEB Cc1ccc(S(=O)(=O)O[C@H]2[C@H]3[C@@H]4S[C@H]5[C@H]6CC[C@@H]([C@@H]52)[C@@H]3[C@H]64)cc1 104055754 BNRVSUWIRICMPT-FRJLWTMMSA-N 348.489 3.085 30 40 EGEB N#C[C@@H](C(=O)[C@H]1COc2ccccc2O1)c1nc2ccccc2s1 2649191 JJUWRDQJHCJIJZ-XHDPSFHLSA-N 336.372 3.313 30 40 EGEB CSc1nccn1-c1cccc(C(=O)[C@H](C#N)c2ccccn2)c1 49458790 QMTSDNVDLVXHHC-OAHLLOKOSA-N 334.404 3.479 30 40 EGEB CCNc1ccc(Br)cc1NC(=O)c1ccc(C#N)[nH]1 97233684 CXKAMBDCXOKPBH-UHFFFAOYSA-N 333.189 3.333 30 40 EGEB Cc1ccccc1C(=O)N1CCC(C(=O)Oc2ccc(C#N)cc2)CC1 14469093 SLHNDVUVBUYDKH-UHFFFAOYSA-N 348.402 3.325 30 40 EGEB CCOc1ccccc1-n1nnnc1SCc1ccccc1C#N 6657319 RMWSKALTWMWGRK-UHFFFAOYSA-N 337.408 3.225 30 40 EGEB C=CCn1c(O)c(C(=O)N[C@@H](C)c2ccccc2)c(=O)c2ccccc21 5729908 YQHJTXJALSJKCP-AWEZNQCLSA-N 348.402 3.384 30 40 EGEB C=CCCO[C@H](C)/C(O)=N/S(=O)(=O)c1ccc2ccccc2c1 67784308 AYXLFFQMZCHTRK-CYBMUJFWSA-N 333.409 3.466 30 40 EGEB N=c1[nH]nc(-c2cccc(/N=C/c3ccc([N+](=O)[O-])cc3)c2)s1 408718116 KLCIZGNICOWBMA-RQZCQDPDSA-N 325.353 3.276 30 40 EGEB CN(CCOc1cccc(Cl)c1)C(=O)COc1ccccc1C#N 16964771 WXBDSUNKJZHSQK-UHFFFAOYSA-N 344.798 3.128 30 40 EGEB COc1ccc(/C=N/N=c2/[nH]c3ccccc3s2)c(OC)c1OC 17181008 QBGURGPIRDKBJF-VCHYOVAHSA-N 343.408 3.190 30 40 EGEB Cc1[nH]c2ccccc2c1C(=O)C(=O)N(CCC#N)Cc1ccco1 69566914 HWSDQWGDYGNQCN-UHFFFAOYSA-N 335.363 3.195 30 40 EGEB C=CCNC(=O)Nc1ccc(CC(=O)N2CCc3ccccc32)cc1 69656331 GTKPQZDIXBFVTO-UHFFFAOYSA-N 335.407 3.126 30 40 EGEB N#CCc1ccc(NC(=O)[C@H]2CCCCN2C(=O)C2CCCC2)cc1 69918647 VEZPBCWFAPJBCX-GOSISDBHSA-N 339.439 3.262 30 40 EGEB Cc1c(NCCCC(C)(C)C#N)cccc1S(=O)(=O)NC1CC1 95418001 QNIWPSHWTNDSBC-UHFFFAOYSA-N 335.473 3.178 30 40 EGEB C[S@](=O)CCC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 95978923 RAPNLFFLBKSFOX-XMMPIXPASA-N 346.383 3.197 30 40 EGEB COCc1cc(C)nc(SCC(=O)Nc2ccccc2F)c1C#N 409178872 JHIUOGNNXMXMFI-UHFFFAOYSA-N 345.399 3.278 30 40 EGEB N#Cc1ccc(-c2cnc(Cn3c4c(sc3=O)CCCC4)o2)cc1 95401588 RXHSPZLPZFWMIC-UHFFFAOYSA-N 337.404 3.364 30 40 EGEB N#Cc1ccnc(OC[C@H]2CCCN(Cc3ccc4c(c3)CCO4)C2)c1 1776009162 WSQPIVAEIRPCES-SFHVURJKSA-N 349.434 3.179 30 40 EGEB C[C@@H](NCc1nnc2n1C[C@@H](C(F)(F)F)CC2)c1ccc(C#N)cc1 78890647 JJRLANDXWXCYHK-RISCZKNCSA-N 349.360 3.125 30 40 EGEB COc1cc(C(=O)/C=C/c2cc(F)ccc2F)ccc1OCC(=O)O 40139732 CUFYFKXUMHZKON-QHHAFSJGSA-N 348.301 3.333 30 40 EGEB O=C1N[C@@H](c2ccccc2F)/C(=C(\O)c2ccc(Cl)cc2)C1=O 102892614 UWAKJUGIMPJUSW-MRPLLJTBSA-N 331.730 3.188 30 40 EGEB N#Cc1c(NC(=O)COC(=O)c2ccco2)sc2c1CCCCC2 3246607 PEKVRHJKPXWGFY-UHFFFAOYSA-N 344.392 3.277 30 40 EGEB Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccc(CC#N)cc3)c12 28437562 GVBKABXTRKABFQ-UHFFFAOYSA-N 345.406 3.473 30 40 EGEB C[C@@H]1C[C@H]1c1ccc(/C=C2\C(=O)c3ccccc3S(=O)(=O)N2C)o1 13655849 WTSMIYHHQIFZKW-KKYPHGRXSA-N 343.404 3.261 30 40 EGEB N#Cc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 8263540 VDFFOCMUTCRXGD-CYBMUJFWSA-N 339.782 3.203 30 40 EGEB CCOCCC/N=C(/NCc1cc(C)on1)N[C@@H](C)c1ccccc1 72271843 UKNLEGFOOOGEKA-INIZCTEOSA-N 344.459 3.206 30 40 EGEB N#Cc1ccc(C(F)(F)F)nc1N1CCc2ccccc2[C@@H]1CO 576052540 NXLBOWZKHMBJGL-AWEZNQCLSA-N 333.313 3.068 30 40 EGEB COc1cccc(C)c1N=C(O)N1CCO[C@@H](c2nc(C)cs2)C1 330032186 JGZVOIXGCRYMEV-CQSZACIVSA-N 347.440 3.388 30 40 EGEB N#Cc1ccc(S(=O)(=O)N(CCC(F)(F)F)C2CCC2)cc1 96460852 IXWPFCXFBVRCGJ-UHFFFAOYSA-N 332.347 3.054 30 40 EGEB C#CCCCC(=O)Nc1nc(C(=O)OCC)c(C(F)(F)F)s1 585124804 SMYKMZRITCDYSW-UHFFFAOYSA-N 334.319 3.081 30 40 EGEB O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1cccnc1 263604137 OIGIVUXSKVQKHB-UHFFFAOYSA-N 326.359 3.341 30 40 EGEB COc1ccc(C(=O)C2=C(O)C(=O)N[C@@H]2c2ccccc2Cl)cc1 5687018 XMFPHHMHZVVRDF-OAHLLOKOSA-N 343.766 3.215 30 40 EGEB Cc1ccc2oc(N3CCN(c4nc(C)ccc4C#N)CC3)nc2c1 161220699 AVFXNSFUMKMGIN-UHFFFAOYSA-N 333.395 3.038 30 40 EGEB Cn1ccc2cc(B3OC(C)(C)C(C)(C)O3)c(C(F)(F)F)cc21 575441185 VNYQEWXHYBODJP-UHFFFAOYSA-N 325.139 3.496 30 40 EGEB C=CCN1C(=O)[C@@](O)(CC(=O)c2cc(C)ccc2C)c2ccccc21 565154 LHAUVSPUCMLWAJ-OAQYLSRUSA-N 335.403 3.297 30 40 EGEB CCOC(=O)c1sc(NC(=O)COc2ccc(C#N)cc2)cc1C 3248918 ADZUCMRBYPZSNG-UHFFFAOYSA-N 344.392 3.122 30 40 EGEB C=C(C)COC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 12782776 HJJRLZOPGROWRZ-UHFFFAOYSA-N 326.396 3.246 30 40 EGEB C/C(=N/S(=O)(=O)c1ccc(Br)cc1)OCC(C)C 104065727 SWDIBHKFQJBKIG-UVTDQMKNSA-N 334.235 3.229 30 40 EGEB N#Cc1ccc(N2CCC(C(=O)NCc3ccco3)CC2)cc1Cl 71894250 OLNQGRLHXLTGJL-UHFFFAOYSA-N 343.814 3.337 30 40 EGEB CC(C)n1c(Sc2cccc(F)c2C#N)nnc1C1CCNCC1 71910615 KLQRJJWKSIYNRF-UHFFFAOYSA-N 345.447 3.488 30 40 EGEB CCc1ccc(C/C(O)=N/S(=O)(=O)c2cncc(Cl)c2)cc1 97141048 CQFUCYWRJQTRKS-UHFFFAOYSA-N 338.816 3.185 30 40 EGEB N#Cc1ccccc1Oc1ccc(NC(=O)Cn2cccn2)cc1F 72303802 UKLXIOQBFVRNKD-UHFFFAOYSA-N 336.326 3.325 30 40 EGEB CN(Cc1cnccn1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 76081859 WJLRVZDTZPNCNM-UHFFFAOYSA-N 335.289 3.031 30 40 EGEB C[C@H](/N=C(/O)[C@@H]1CCCCN1C(=O)c1cccs1)c1cn[nH]c1 328877475 UBCIJCWFKRSKSJ-AAEUAGOBSA-N 332.429 3.184 30 40 EGEB C=CCOc1cccc(CN(C)S(=O)(=O)c2ccc(C)cc2)c1 223723510 HLHRWGHHCBOBPD-UHFFFAOYSA-N 331.437 3.381 30 40 EGEB C=CCNS(=O)(=O)Cc1ccc(NCc2ccccc2F)cc1 95429014 VTQJWWNICUPRQW-UHFFFAOYSA-N 334.416 3.043 30 40 EGEB Cc1cc(F)cc2c(N(C)Cc3nnc4ccccn34)c(C#N)cnc12 96429341 IWBKAMWOWUUDFI-UHFFFAOYSA-N 346.369 3.233 30 40 EGEB CC(C)[C@H](C#N)N1CCN(Cc2ccc(Br)s2)CC1 95394543 KRFUNOMSGRMBHD-ZDUSSCGKSA-N 342.306 3.176 30 40 EGEB C=CCN1C(=O)S/C(=C/c2ccc(N3CCOCC3)cc2C)C1=O 981859 QFMUFJOLPSGADN-FOWTUZBSSA-N 344.436 3.054 30 40 EGEB CC(C)[C@@](C)(C#N)NC(=O)CNc1ccc(SC(F)F)cc1 40460985 WHGIWBCIZDIHIY-OAHLLOKOSA-N 327.400 3.468 30 40 EGEB CCO[C@H](CC)C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 103633227 UHWZWSFBPCMTGW-GXFFZTMASA-N 343.210 3.456 30 40 EGEB C/C(=N\c1ccc([N+](=O)[O-])cc1)c1c(O)c2ccccc2n(C)c1=O 101161173 FLSJPRIFRDHTOG-YBFXNURJSA-N 337.335 3.293 30 40 EGEB C[C@H](CC#N)NC(=O)c1c(-n2cccc2)sc2c1CCSC2 58370469 KFUYVQOSWDUSRU-LLVKDONJSA-N 331.466 3.360 30 40 EGEB C=CCN1CCC(NC(=O)c2ccc(-c3ccco3)nc2C)CC1 171716735 XLDYSEWGEALBJC-UHFFFAOYSA-N 325.412 3.030 30 40 EGEB C#CCOc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1OC 4656225 SOQDFSCTEVCCBN-LDADJPATSA-N 325.324 3.061 30 40 EGEB CN(CC(=O)N(C)C1(C#N)CCCCC1)Cc1ccccc1Cl 14930233 CCJGXXMMIFGDCN-UHFFFAOYSA-N 333.863 3.457 30 40 EGEB CN(CCO)c1ccc(/C=N/Nc2ncc(Cl)cc2Cl)cc1 8125474 TUARVWYFWMLZOI-DJKKODMXSA-N 339.226 3.263 30 40 EGEB CCc1cc(NCCCC(=O)OC)n2c(nc3ccccc32)c1C#N 8319173 CXIYMCBDXGHQTO-UHFFFAOYSA-N 336.395 3.287 30 40 EGEB C[C@H](Sc1ncn[nH]1)C(=O)Nc1sc2c(c1C#N)CCCCC2 8324289 ZRGJKAWKKHJUJN-VIFPVBQESA-N 347.469 3.126 30 40 EGEB N#CCSc1ccccc1NC(=O)CN1C[C@H]2CC=CC[C@H]2C1 76040425 AQIVBTWUEHTBJH-GASCZTMLSA-N 327.453 3.139 30 40 EGEB Cc1ccc(N[C@H](C)c2ccc(C#N)cc2)cc1NS(C)(=O)=O 76083946 KWJMXPIYWHZSPK-CYBMUJFWSA-N 329.425 3.411 30 40 EGEB N#Cc1ccc(OC[C@H](O)CN2CCC[C@@H]2c2ccc(F)cc2)cc1 25308522 LEYNECFAONOHFO-UYAOXDASSA-N 340.398 3.274 30 40 EGEB N#Cc1ccc(Oc2ccc(NC(=O)NCCn3ccnc3)cc2)cc1 69203108 FABTTXZMQCIECD-UHFFFAOYSA-N 347.378 3.369 30 40 EGEB CC(=O)Oc1ccc(/C=C2\SC(=N)[C@@H](c3nccs3)C2=O)cc1 33703628 RNZLTNOPARROQG-IMFUVDMNSA-N 344.417 3.486 30 40 EGEB C[C@H](C#N)Sc1nnc(-c2cnccn2)n1-c1ccc(Cl)cc1 124202924 SEBRNSOOYJMXHP-SNVBAGLBSA-N 342.815 3.382 30 40 EGEB CC[C@H](C)Sc1nc(N)c(C#N)c(COc2cccc(OC)c2)n1 223692445 RGLSNNIMAWNSKS-NSHDSACASA-N 344.440 3.409 30 40 EGEB CC(=O)c1c(F)cccc1N1CCCN(c2ncccc2C#N)CC1 63248062 ZLXQOYXTEYPZOQ-UHFFFAOYSA-N 338.386 3.012 30 40 EGEB C[C@@H](NS(=O)(=O)c1ccc(CC#N)cc1)c1csc(C2CC2)n1 80754139 WQZMZFAYDKZXNS-LLVKDONJSA-N 347.465 3.126 30 40 EGEB CCC[C@H](C#N)NC(=O)c1csc(=Nc2cc(F)cc(F)c2)[nH]1 597042614 VWLVQXCHWVTERO-LLVKDONJSA-N 336.367 3.009 30 40 EGEB COC(=O)[C@H](Cc1ccccc1)N/C=C\C(=O)c1ccc(Cl)cc1 6187443 ZHBYPDRYQALCDT-CPFIRTDXSA-N 343.810 3.410 30 40 EGEB Cc1ccc2[nH]c3nc(N/N=C/c4ccc(N(C)C)cc4)nnc3c2c1 6281471 FCCAESRVSUSFCS-RGVLZGJSSA-N 345.410 3.327 30 40 EGEB Cc1nc(N/N=C/c2ccc(N(C)C)cc2)cc(N2CCCCC2)n1 4595616 LOTBSSHBGOXVBM-XSFVSMFZSA-N 338.459 3.287 30 40 EGEB COC(=O)c1ccc(/C=N/OCCOc2ccccc2C(C)=O)cc1 23714121 ZEJLVTVDHFGQSK-DEDYPNTBSA-N 341.363 3.105 30 40 EGEB N#Cc1cccc(COc2cccc(CNCCn3ccnc3)c2)c1 47688422 XJBSUUWGKAFKNY-UHFFFAOYSA-N 332.407 3.124 30 40 EGEB CCC/C=C/C(O)=N/S(=O)(=O)c1ccccc1Br 78814570 QYISRLPNJSXHOD-RUDMXATFSA-N 332.219 3.451 30 40 EGEB CCCOc1ccc([C@H]2C3=C(C[C@H](C)CC3=O)Nc3ncnn32)cc1 10339487 ZIXYNAJDZIKLIF-SGTLLEGYSA-N 338.411 3.335 30 40 EGEB Cc1cc(O)c(/C=N/Nc2ncc(C(F)(F)F)cc2Cl)c(=O)o1 4091483 RAQMTZYPCANKPN-PTXOJBNSSA-N 347.680 3.167 30 40 EGEB N#Cc1cccc([C@H]2CC(c3cccc(O)c3)=NN2c2ncccn2)c1 69179708 BKHZRBYXNNDJFH-LJQANCHMSA-N 341.374 3.410 30 40 EGEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C1CC1)[C@@H](C)c1cccnc1 69432713 DARFAQMQMIPZKI-GJZGRUSLSA-N 335.407 3.473 30 40 EGEB N#Cc1cc(NC[C@@H](O)c2ccsc2)nc2ccc([N+](=O)[O-])cc12 76063260 OUPZRYMZKAETNQ-OAHLLOKOSA-N 340.364 3.222 30 40 EGEB CN(C)C(=O)c1cc(F)ccc1NCc1cn2ccccc2c1C#N 193481718 GBDBKAHQCKMWSA-UHFFFAOYSA-N 336.370 3.264 30 40 EGEB N#Cc1cccc(N[C@H]2CO[C@]3(CCN(Cc4cccs4)C3)C2)c1 96218888 YFDZYOXDQRGQLV-IEBWSBKVSA-N 339.464 3.465 30 40 EGEB CCOC(=O)[C@H](C)Sc1nc(O)c(C#N)c(-c2ccc(C)cc2)n1 15831968 DUVDSOJPYDKTSD-NSHDSACASA-N 343.408 3.073 30 40 EGEB CC1=Nc2ccccc2/C1=N\Nc1c(C)n(C)n(-c2ccccc2)c1=O 102997556 FJTUWSMBSWFJGJ-PYCFMQQDSA-N 345.406 3.407 30 40 EGEB C=CCNc1nc(C(=O)OCC(=O)c2ccc(Cl)cc2)cs1 3601526 JXNICOXQLVLUPZ-UHFFFAOYSA-N 336.800 3.434 30 40 EGEB C=CCSc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12 6098541 JIUBRJXTQVNTRS-UHFFFAOYSA-N 334.404 3.312 30 40 EGEB CN(C)/C=N/n1cnc2scc(-c3ccccc3Cl)c2c1=O 6605547 HIHALYNLCGUIAZ-GIJQJNRQSA-N 332.816 3.131 30 40 EGEB C[C@H]1C[C@H]1C(=O)NCCC(=O)Nc1ccccc1SC[C@H](C)C#N 106585883 HYBDWEWLSMXGEV-HZSPNIEDSA-N 345.468 3.039 30 40 EGEB N#Cc1cc(F)c(N2CCC(C(=O)N3CCCCC3)CC2)c(F)c1 58282721 IRZMBMLZLPOEOE-UHFFFAOYSA-N 333.382 3.065 30 40 EGEB Cc1ccc(N2CC[C@@H](N[C@@H](C)c3ccc(OCC#N)cc3)C2=O)cc1 95404407 BSPIDVVDIRSPGK-OXJNMPFZSA-N 349.434 3.354 30 40 EGEB N#Cc1ccc(S(=O)(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)cc1 95442985 MIYUDFNAMPRPJG-UHFFFAOYSA-N 348.334 3.173 30 40 EGEB N#CCc1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)C2CCC2)cc1 71857631 XZEXJTCSPNVEDB-LJQANCHMSA-N 347.418 3.349 30 40 EGEB CSC(=NS(=O)(=O)c1ccc(Br)cc1)SC 4293598 RXZONMCDUKLZPT-UHFFFAOYSA-N 340.289 3.220 30 40 EGEB biogenic COc1cc(C(=O)/C=C/c2cccc(F)c2)ccc1S(C)(=O)=O 57789833 IKQXDSMKNYNJCP-SOFGYWHQSA-N 334.368 3.134 30 40 EGEB Cc1cccc(/N=C2\NC(=O)/C(=C/c3ccc([N+](=O)[O-])o3)S2)c1 5533024 LQDAGYRLZNHECS-WQLSENKSSA-N 329.337 3.388 30 40 EGEB C=CCN1CCC[C@@]12CCCN(C(=O)c1ccc(COC)cc1)C2 1565555185 VPNZCHMHKCTKQM-HXUWFJFHSA-N 328.456 3.090 30 40 EGEB N#Cc1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 383841 IIKGPWIQIIRGSK-UHFFFAOYSA-N 326.299 3.378 30 40 EGEB C[C@@H](O/N=C/c1cccc([N+](=O)[O-])c1)C(=O)NCC1CCCCC1 32958271 CBSWADJOXBXPNB-KZKLBEMASA-N 333.388 3.030 30 40 EGEB CCc1cnc([C@@H](C)N[C@H](C(=O)OC)c2cccc(C#N)c2)s1 83032655 RMGKCKBBSUYNSP-ABAIWWIYSA-N 329.425 3.142 30 40 EGEB N#Cc1ccc(C(F)(F)F)c(NC2CCN(c3ncccn3)CC2)c1 97163547 NITGHQDCJHZOIH-UHFFFAOYSA-N 347.344 3.448 30 40 EGEB CC(C)C1=CC(=Nc2ccc(S(N)(=O)=O)cc2)C=C(C(C)C)C1=O 4903895 HLSAOCGIBATHON-UHFFFAOYSA-N 346.452 3.154 30 40 EGEB C=CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccco1 6361834 JWOALRRETZINQD-UHFFFAOYSA-N 346.456 3.265 30 40 EGEB C=CCc1cc(/C=C/C(=O)c2c(C)nn(C)c2C)cc(OC)c1O 57789383 JWKXIROKXRJBJG-CMDGGOBGSA-N 326.396 3.376 30 40 EGEB N#Cc1ccc(OC[C@@H](O)CN2CCC[C@@H]2c2ccc(F)cc2)cc1 25308526 LEYNECFAONOHFO-AZUAARDMSA-N 340.398 3.274 30 40 EGEB COC(=O)c1ccc(/C=C/C(=O)c2ccc(N3CCCC3=O)cc2)o1 58250962 KTUSWPBKJXOVFQ-CSKARUKUSA-N 339.347 3.089 30 40 EGEB N#Cc1ccccc1N1CCCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 65497268 PJYMLKCAVJJBQX-VQTJNVASSA-N 345.446 3.401 30 40 EGEB Cc1nnc(SCC(=O)Nc2cccc(C#N)c2)n1-c1ccccc1 6334965 JAAHYQXNVOFZFN-UHFFFAOYSA-N 349.419 3.178 30 40 EGEB C=CCc1cc(OC)ccc1OCC(=O)Nc1ccc2c(c1)OCO2 14166982 OYYPUQVCOLZOIA-UHFFFAOYSA-N 341.363 3.170 30 40 EGEB CCc1nc2c(s1)[C@@H](N(C)C(=O)c1cc(C#N)cn1C)CCC2 96476076 IGBVWBLDDOOGSZ-ZDUSSCGKSA-N 328.441 3.065 30 40 EGEB C[C@H](CC(=O)NC1(C#N)CCC2(CC1)OCCO2)c1ccc(F)cc1 69621861 YYQGJJIPWKQBSP-CQSZACIVSA-N 346.402 3.015 30 40 EGEB FC(F)Oc1ccccc1/C=N/OCc1nc(-c2ccccn2)no1 75147251 GNCCLGFJFQJQTA-AWQFTUOYSA-N 346.293 3.284 30 40 EGEB N#CCCCS(=O)(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl 79097930 XGRIOHPICTWIQY-LBPRGKRZSA-N 333.240 3.204 30 40 EGEB CCCCc1noc([C@H]2CCCN(C(=O)c3cccc(C#N)c3)C2)n1 41122502 YNTRCFWLZDAHSP-INIZCTEOSA-N 338.411 3.304 30 40 EGEB Cc1cc(C)c(C#N)c(SCCn2cnc3ccsc3c2=O)n1 96423959 MMTLDQRBDUCAHU-UHFFFAOYSA-N 342.449 3.134 30 40 EGEB N#Cc1cccc(OC[C@H]2CO[C@@H]3CN(Cc4cccs4)C[C@@H]32)c1 96216027 FFUNQSWRYCVFTC-KFKAGJAMSA-N 340.448 3.146 30 40 EGEB Cc1ccc(-c2nnc(S)n2N=Cc2ccc(C(=O)O)cc2)cc1 253617005 SRMPMANHNPCVIC-UHFFFAOYSA-N 338.392 3.123 30 40 EGEB CC1(C)CC(=O)c2cnc(SCc3nc(C#N)cs3)nc2C1 631021435 DCPDGJFVPBEWOH-UHFFFAOYSA-N 330.438 3.252 30 40 EGEB CC(C)n1cc(C(=O)/C=C/c2cccc(OCCC(=O)O)c2)cn1 58377637 HOQXPTHJLXGARF-VOTSOKGWSA-N 328.368 3.214 30 40 EGEB O=C1[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)N1/N=C/c1c(O)ccc2ccccc12 13549435 FGSNUPZWVPHNII-ZZRUKSIYSA-N 346.386 3.077 30 40 EGEB N#C[C@H]1C(=O)NC(=O)[C@@H](C#N)C1c1c2ccccc2cc2ccccc12 18098712 QVKGRYRNPHFUSN-JJTKIYQPSA-N 339.354 3.013 30 40 EGEB Cc1c(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)cc(C#N)n1C 33530939 XJTRVWOEGHGTGW-NVNXTCNLSA-N 325.755 3.203 30 40 EGEB Cc1occc1C(=O)[C@@H](C#N)C(=O)[C@@H](C)Oc1ccc(F)c(F)c1 103696765 PMOIMSMFUCVTBZ-MFKMUULPSA-N 333.290 3.225 30 40 EGEB CC(C)n1cnnc1[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C#N)c2)C1 97144885 ATGLOACUSFCCEE-ZDUSSCGKSA-N 340.387 3.023 30 40 EGEB N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCC3CC3)c2)c1 48125792 HVHMVAGXDNNLAS-UHFFFAOYSA-N 334.379 3.342 30 40 EGEB OCc1cc(C#Cc2ccccc2)c(CO)cc1C#Cc1ccccc1 2270738 BNPXZGQOKZOMQD-UHFFFAOYSA-N 338.406 3.471 30 40 EGEB C[C@H]1C[C@H]2[C@@H]3CC[C@@](C)(O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12 118925716 LZRQDFQQYIQZLG-ZEPSAVMZSA-N 332.484 3.486 30 40 EGEB Cc1ccc(C(=O)CC/C(O)=N/c2nc(C(F)(F)F)n[nH]2)s1 36714223 WCKYKTHMZPXFLM-UHFFFAOYSA-N 332.307 3.445 30 40 EGEB CCCOc1cccc(/C(O)=N/S(=O)(=O)c2cccc(C#N)c2)c1 48608655 HWIYRTFBAURWOX-UHFFFAOYSA-N 344.392 3.041 30 40 EGEB C=CCn1c(SCCO)nc2sc(-c3ccccc3)cc2c1=O 7037974 ZGHANYRKCJUWGD-UHFFFAOYSA-N 344.461 3.395 30 40 EGEB N#Cc1ccsc1NC(=O)CSc1nnc(C2CC2)n1C1CC1 7903113 ATIXLPRLNBXCLX-UHFFFAOYSA-N 345.453 3.154 30 40 EGEB N#Cc1nc(NC(=O)c2ccc(-c3ccc(F)cc3)cc2F)[nH]c1C#N 69564309 BOQBXCNMKXAOFC-UHFFFAOYSA-N 349.300 3.351 30 40 EGEB N#Cc1ccc(S(=O)(=O)/N=C(\O)Cc2cccs2)cc1Cl 71883895 YNVXZMCWPADLJQ-UHFFFAOYSA-N 340.813 3.161 30 40 EGEB COc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)ccc1O 19973808 BTZCMKCFTGXQHQ-UHFFFAOYSA-N 339.391 3.102 30 40 EGEB N#C[C@H](c1c(F)cccc1Cl)N1CCC(N2CCCC2=O)CC1 96443323 LCXQFEHBOHPINF-OAHLLOKOSA-N 335.810 3.131 30 40 EGEB N#CC1(C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2=O)CCCC1 96423129 KYRLLDWDHDXXPO-AWEZNQCLSA-N 345.830 3.036 30 40 EGEB C[C@H]1CN(Cc2ccc(CNCc3ccc(C#N)cc3)cc2)C[C@H](C)O1 48710001 YVYMFYUFTIMUJE-ROUUACIJSA-N 349.478 3.457 30 40 EGEB CC1(C)CC(=O)C2=C(C1)Nc1nonc1N[C@H]2c1ccc(F)cc1 12323202 LOFJDLAFPFYNBN-AWEZNQCLSA-N 328.347 3.431 30 40 EGEB CC(=O)/C(=C/Nc1ccc(C)cc1)S(=O)(=O)c1ccccc1F 100026192 NDYHPXFILVVELJ-BOPFTXTBSA-N 333.384 3.450 30 40 EGEB CCc1nnsc1C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1 41553080 SXVAVCKKGSQHGN-QMMMGPOBSA-N 326.303 3.004 30 40 EGEB N#C[C@H](C(=O)c1ccn(-c2ccccc2Cl)n1)C(=O)c1ccco1 103732442 MNYUQQZOAUQBLL-LLVKDONJSA-N 339.738 3.324 30 40 EGEB CC1=CC(=O)[C@H](C(=O)/C=C/c2csc(-c3ccsc3)n2)C(=O)O1 103755932 IDHNCLZVIKBVIY-HSWBROFVSA-N 345.401 3.100 30 40 EGEB CC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)C[C@]4(C)[C@]3(F)[C@@H](O)C[C@]12C 6186479 MCAHIIQBOBRLHG-BCNVYZLRSA-N 334.431 3.396 30 40 EGEB O=C(NCc1ccco1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 2761183 OKKIATKQFBBDJG-UHFFFAOYSA-N 343.145 3.364 30 40 EGEB N#Cc1cnc2c(/N=N/c3cccc(C(F)(F)F)c3)c(N)nn2c1N 4666071 OEILQTKOCKLBAU-GHVJWSGMSA-N 346.276 3.200 30 40 EGEB COc1ccccc1COC1CCN(C(=O)C#Cc2ccccc2)CC1 91819382 LNLYHTOEIKUGRJ-UHFFFAOYSA-N 349.430 3.255 30 40 EGEB C=CCn1c(C)nnc1SCc1nc(-c2ccc(F)cc2)no1 8762307 GVKOOKBVQCCBSD-UHFFFAOYSA-N 331.376 3.254 30 40 EGEB N#Cc1cccnc1N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 8982610 SDHJLTLGTCPXIP-UHFFFAOYSA-N 346.356 3.294 30 40 EGEB C[C@@H](COc1ccccc1C(F)(F)F)/N=C(/O)N1CCCCO1 328720627 WHFUDWVHPMWQAB-NSHDSACASA-N 332.322 3.414 30 40 EGEB COc1ccc(/C=N/n2c(=N)sc3nc4ccccc4nc32)cc1 16215989 KFXCJRJUGPSJRF-GYSREZARSA-N 335.392 3.016 30 40 EGEB COC(=O)c1sc(/N=C/c2ccc3c(c2)OCO3)c(C#N)c1C 16249632 BJTVCAGXJSQKFZ-CNHKJKLMSA-N 328.349 3.194 30 40 EGEB Cc1c(C(=O)NCc2ccccn2)oc2c1/C(=N\O)CC(C)(C)C2 100931470 AUMOZAVJUWJNNN-BKUYFWCQSA-N 327.384 3.064 30 40 EGEB N#Cc1ccccc1NC(=O)c1cc2c(=O)n3ccccc3nc2s1 426855 PEAFWKRQHKFAFW-UHFFFAOYSA-N 346.371 3.033 30 40 EGEB N#CCCOC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1795158 NUAMDYBWLPAJIC-UHFFFAOYSA-N 334.275 3.163 30 40 EGEB COc1cccc(C(=O)N[C@@H](C#N)c2cccc(Br)c2)c1 58289571 JPNQIEWBUPLABC-HNNXBMFYSA-N 345.196 3.452 30 40 EGEB COc1ccc(/C=C2\Cc3c(O)cccc3C2=O)c(OC)c1OC 11335929 LGFJBJQIUJPQEC-FMIVXFBMSA-N 326.348 3.240 30 40 EGEB C=CCn1cnc2c(sc3nc(N4CCCC4)cc(C)c32)c1=O 71280271 HZYKWTUIUFIOHL-UHFFFAOYSA-N 326.425 3.101 30 40 EGEB C[C@H](Sc1ccc(C#N)c(C(F)(F)F)c1)C(=O)N(C)CCC#N 96007256 JRAKWCUNABQSEF-JTQLQIEISA-N 341.358 3.430 30 40 EGEB C[C@H]1CN(c2snnc2/C=C/C(=O)c2ccccc2)C[C@H](C)O1 5242872 WOHAKMRPKXRXBF-TYDXBBDOSA-N 329.425 3.048 30 40 EGEB CSc1ccc(/C=C/C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)cc1 6362709 AJKVMSQZMYHKFY-HKMNZKMDSA-N 346.452 3.019 30 40 EGEB CC(=O)c1csc(C(=O)Nc2ccnn2-c2ccc(C#N)cc2)c1 112832561 PSMQGJDKCJZOFS-UHFFFAOYSA-N 336.376 3.260 30 40 EGEB Cc1cc(C)cc(NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)c1 65568393 XYQAWWIYEPLOPH-UHFFFAOYSA-N 331.379 3.195 30 40 EGEB C/N=c1\scc(-c2ccc(F)cc2)n1/N=C/c1ccc(O)c(O)c1 5861808 DSLDUNLOIGJICZ-RZWFVBBUSA-N 343.383 3.180 30 40 EGEB CCOc1cc(/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)ccc1O 7333663 WVJFFGHIMQPCNT-ZZXKWVIFSA-N 339.347 3.018 30 40 EGEB O=[N+]([O-])c1cccnc1N/N=C/c1ccc(N2CCCC2)cc1F 409096201 KCGRGYWXBJKPGQ-YBFXNURJSA-N 329.335 3.175 30 40 EGEB Cc1ccc(C#N)c(SCC(=O)N[C@H](C)CCc2ccccc2)n1 72265545 YLTLLZDNPGIHFJ-CQSZACIVSA-N 339.464 3.491 30 40 EGEB C[C@H]1Cc2cccc3c(=O)c(C(=O)Nc4ccc(CC#N)cc4)cn1c23 226093876 HIJNNFHJOVUCPZ-ZDUSSCGKSA-N 343.386 3.437 30 40 EGEB CC(C)S(=O)(=O)CCCSc1nc2c(cc1C#N)CCCC2 96467309 AQPFUXJDTGTUFN-UHFFFAOYSA-N 338.498 3.137 30 40 EGEB COc1ccc(O)c(C(=O)/C=C/c2cc(OC)c(OC)cc2OC)c1 48057088 UJYJMZRALNAPMM-FNORWQNLSA-N 344.363 3.323 30 40 EGEB Cc1ccc(NC(=O)NC(=O)[C@H](C)Oc2ccc(C#N)cc2)c(C)c1 12819170 NKNREVUNTABJKR-AWEZNQCLSA-N 337.379 3.291 30 40 EGEB O=C1N=C(Nc2ccccc2)S/C1=N\c1cc(O)ccc1[N+](=O)[O-] 19368519 JSKXOVGUURBDCW-VKAVYKQESA-N 342.336 3.072 30 40 EGEB C/N=C(\NC[C@@H]1CC=CCC1)N(C)Cc1csc([C@H](C)OC)n1 156300809 QTDXFPZUEJCWNM-UONOGXRCSA-N 336.505 3.214 30 40 EGEB Cc1noc(C)c1CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1 31619745 LOLYVWSKBGOOCS-UHFFFAOYSA-N 338.392 3.206 30 40 EGEB COc1cc(C(=O)[C@@H](C#N)c2nnc(-c3ccccc3)n2C)ccc1C 58178737 BHWXKZGXQBJRPO-MRXNPFEDSA-N 346.390 3.289 30 40 EGEB O[C@H]1C2C[C@@H]3C[C@@H](C2)CC1(C#CC1(O)C2CC4CC(C2)CC1C4)C3 104203302 TVZBFHNRMALGDJ-DDPCBPMISA-N 326.480 3.364 30 40 EGEB C=C(Br)CNC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 49280400 SXIOMFDKMIXGIH-SNVBAGLBSA-N 332.625 3.441 30 40 EGEB CC(C)(C#N)C(=O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 96008114 IMXFKMZMTCRODE-ZDUSSCGKSA-N 326.318 3.155 30 40 EGEB N#CC1(NC(=O)CN2CCC[C@H]2c2ccc(O)cc2)CCCCCC1 65487939 DOTSKNXVTKYYHO-SFHVURJKSA-N 341.455 3.262 30 40 EGEB N#Cc1nc(NCc2ccccc2CN2CCOCC2)ccc1Cl 65592437 BYDAEDPELBKFHP-UHFFFAOYSA-N 342.830 3.051 30 40 EGEB C=CCNc1nc(-c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)cs1 7274107 RDHYWRGFXVBOOV-NSHDSACASA-N 349.481 3.119 30 40 EGEB O=C1COc2ccc(C(=O)/C=C/c3cnn(-c4ccccc4)c3)cc2N1 7333739 KRPZVBSCUVLLLW-SOFGYWHQSA-N 345.358 3.099 30 40 EGEB C=CCNc1nnc(S[C@H](C(=O)NC2CC2)c2ccccc2)s1 7504347 HZFZETJGSDNXRH-ZDUSSCGKSA-N 346.481 3.248 30 40 EGEB N#C[C@@H](C(=O)c1csc(-c2ccc3c(c2)OCO3)n1)c1ccccn1 71855187 GIJMZWLTVIOUHE-GFCCVEGCSA-N 349.371 3.424 30 40 EGEB Cc1ccc(C[C@@H](NC(=O)c2cc(C#N)c[nH]2)c2cccnc2)cc1 95406926 GWZMZMILINMQTR-GOSISDBHSA-N 330.391 3.304 30 40 EGEB N#CCCN(C(=O)CN1CCc2sccc2C1)c1ccc(F)cc1 95947106 FQPKPHXEMBDYOA-UHFFFAOYSA-N 343.427 3.192 30 40 EGEB O=c1c2ccccc2nc(O)n1N=Cc1ccccc1C(F)(F)F 409354890 BSVSSEKWNCGVAR-UHFFFAOYSA-N 333.269 3.003 30 40 EGEB C#CCN1CCC2(CC1)Nc1ccccc1C(=O)N2c1ccccc1 69896958 RQSKIIHIXMBVKK-UHFFFAOYSA-N 331.419 3.184 30 40 EGEB Cn1cc(CNc2nnc(C3CC3)s2)c(-c2ccc(C#N)cc2)n1 195552739 CJWSSMHDXDZALA-UHFFFAOYSA-N 336.424 3.300 30 40 EGEB COc1ccc(C(=O)/C=C/c2cn(-c3ccccc3)nn2)c(OC)c1 58308804 XKIQXJXPCGMOFG-DHZHZOJOSA-N 335.363 3.181 30 40 EGEB CC(=O)N[C@@H]1CC=C(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1 1848351075 RLNIZBNPTWJEEO-GOSISDBHSA-N 341.260 3.058 30 40 EGEB N#Cc1nccnc1N[C@@H]1CCCc2c1cnn2Cc1ccccc1 95397034 RLYUARUIVWNWHS-MRXNPFEDSA-N 330.395 3.083 30 40 EGEB C=CCn1c(SCC(N)=O)nnc1-c1ccc(C(C)(C)C)cc1 3283704 SIRRMKABFYOKJE-UHFFFAOYSA-N 330.457 3.006 30 40 EGEB CNC(=O)Oc1ccc(/C=N\Sc2cccc([N+](=O)[O-])c2)cc1 104191051 DLYRMMZRGHRPIW-YVLHZVERSA-N 331.353 3.439 30 40 EGEB COC(=O)c1sc2c(Cl)c(C#N)nc(Cl)c2c1C(=O)OC 1418728 GKVQAKIIGPAGRQ-UHFFFAOYSA-N 345.163 3.048 30 40 EGEB CCN(C[C@@H](C)C#N)C(=O)c1ccc(OC)c(Br)c1 38068503 NLOFKMBCGUAQCG-JTQLQIEISA-N 325.206 3.079 30 40 EGEB CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-n2cccn2)c(F)c1 69492807 BJILYZOKOWCKFB-UHFFFAOYSA-N 334.354 3.155 30 40 EGEB N#Cc1cc(N2CCC[C@@H](CCC(N)=O)C2)ccc1C(F)(F)F 97144771 ODJSSULMYKGVPJ-NSHDSACASA-N 325.334 3.059 30 40 EGEB COc1ccc([C@@H](C)Nc2ncnc3c2cnn3CCC#N)cc1F 97199671 OVIBSXGBCRQPDR-LLVKDONJSA-N 340.362 3.061 30 40 EGEB N#Cc1ccc(CN2CCC(NC[C@@H](O)C3CCCCC3)CC2)cc1 95987876 FBCILMCQMDXPAI-OAQYLSRUSA-N 341.499 3.053 30 40 EGEB CCCOc1ccc(/C=N\OCC(=O)Nc2ccccc2)cc1OC 35419767 IFPSQAQCOQEICG-MOSHPQCFSA-N 342.395 3.473 30 40 EGEB COc1cccc(/C=N/Nc2nc3ccccc3nc2Cl)c1O 32502352 HNQUQBUYDCTSLZ-GIJQJNRQSA-N 328.759 3.443 30 40 EGEB COc1cc(C#N)ccc1OCCCC(=O)NCC1CCCCC1 32930893 KRQZYVGMJVDGKH-UHFFFAOYSA-N 330.428 3.422 30 40 EGEB O=S(=O)(/N=C(\O)CCCn1cccn1)c1ccc2ccccc2c1 78556421 QSBVAURBRQCCSW-UHFFFAOYSA-N 343.408 3.162 30 40 EGEB Cc1nc(NC(=O)[C@@H](c2ccccc2)N(C)C)sc1SCC#N 58392907 SJTUHFHIXYVSAY-CYBMUJFWSA-N 346.481 3.309 30 40 EGEB COc1ccccc1/N=C1\SCC(=O)N1c1ccccc1OC 100494344 KKOMQAZHAUIUQO-ZCXUNETKSA-N 328.393 3.471 30 40 EGEB N#Cc1cccc(/C=C/C(=O)N(C[C@@H]2CCCO2)c2ccncc2)c1 72284835 XZAGADHNVCQGBJ-GHOSXJJBSA-N 333.391 3.179 30 40 EGEB C[C@@H](O/N=C/c1ccccc1)c1nc(N)nc(Nc2ccccc2)n1 12645774 RQTUGYWJICNSDL-HMHKGCENSA-N 334.383 3.309 30 40 EGEB N#Cc1c(F)cccc1NC[C@H](c1ccc(F)cc1)N1CCOCC1 58133342 UZLSDHFMPBEGKY-LJQANCHMSA-N 343.377 3.322 30 40 EGEB O=C(C/C=N\OCc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1F 12957766 OGXRBLASTOONML-UWVJOHFNSA-N 349.293 3.404 30 40 EGEB Cc1cc([C@@H](C)NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)c(C)o1 65590967 NWUPXVGZQUNCHI-GFCCVEGCSA-N 349.394 3.027 30 40 EGEB CCOC(=O)c1nn(-c2ccccc2)cc1OCc1ccc(C#N)cc1 14200510 CPXVOBXBIYQHCW-UHFFFAOYSA-N 347.374 3.500 30 40 EGEB COc1ccc(NC(=O)COC(=O)c2ccc(C#N)cc2)cc1Cl 6582474 ODRSYEYTYXQGMZ-UHFFFAOYSA-N 344.754 3.016 30 40 EGEB N#Cc1ccc(OCC(=O)Nc2nc(-c3cccnc3)cs2)cc1 6789312 BBQTZYTXTRDHKV-UHFFFAOYSA-N 336.376 3.094 30 40 EGEB CCOC(=O)c1csc([C@H](C#N)C(=O)CCc2ccc(F)cc2)n1 67895981 RZIMQXYDRAIFQY-CYBMUJFWSA-N 346.383 3.268 30 40 EGEB N#Cc1ccc(CN2CCC(n3cccn3)CC2)c(Br)c1 97047139 ITVHEEKDUKAKQW-UHFFFAOYSA-N 345.244 3.354 30 40 EGEB N#CCC1(COC(=O)c2cnn3c(-c4cccs4)ccnc23)CC1 95405036 PSFBUGWUTXPRNX-UHFFFAOYSA-N 338.392 3.308 30 40 EGEB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NC1(C#N)CCSCC1 535950726 ZJKLZNPDAPYJOC-PMPSAXMXSA-N 338.517 3.369 30 40 EGEB C=CCN(CC=C)C(=O)c1c(-c2ccc(OC)cc2)noc1[C@H](C)O 225432603 SLINMNYWKWYUNJ-ZDUSSCGKSA-N 342.395 3.218 30 40 EGEB biogenic,in-vitro C[C@H](Nc1c(Cl)cccc1C#N)c1cccc(S(N)(=O)=O)c1 96453258 YXLKVYYXGBBEIC-JTQLQIEISA-N 335.816 3.032 30 40 EGEB N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2cccc(-n3ccnc3)c2)cc1 390833296 FTTMMNIJYQJCGD-KRWDZBQOSA-N 341.374 3.065 30 40 EGEB CC(C)Oc1ccc(/C=N/CC[C@]2(O)C[C@H](C)N(C)C[C@@H]2C)cc1 2286913 CLJGDQRPOPPOBX-WQQQIIBJSA-N 332.488 3.374 30 40 EGEB C#Cc1cccc(NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c1 29095820 KVENMFQLOLDOAE-UHFFFAOYSA-N 328.412 3.254 30 40 EGEB COc1ccc(/C=N/N=C2/SCC(=O)N2Cc2ccccc2)cc1 2361273 ATJSODNVWMWSLM-DSTXHIGZSA-N 339.420 3.161 30 40 EGEB COc1ccc2c(c1)OC1=C(C(=O)CCC1)[C@@H]2C1C(=O)CCCC1=O 90466 DKYAFQJXUWWMQI-SFHVURJKSA-N 340.375 3.117 30 40 EGEB COC(=O)c1ccc(/N=C/c2cc(OC)c(OC)c(OC)c2)cc1 358052 PJTPUPZURBCOCI-YBFXNURJSA-N 329.352 3.250 30 40 EGEB C[C@H]1CCCN(C(=O)C2CCN(Cc3ccc(C#N)cc3)CC2)C1 48046517 AYOQHLLUVVYJIK-INIZCTEOSA-N 325.456 3.029 30 40 EGEB C=C(C)CN1C(=O)[C@@](O)(CC(=O)c2ccc(C)cc2)c2ccccc21 1320635 XFHPGHQCPRSYQC-OAQYLSRUSA-N 335.403 3.378 30 40 EGEB CCCc1ccc(S(=O)(=O)/N=C(\O)CC[C@H]2CCCO2)cc1 48563353 NXGQRMIIMDOUHX-CQSZACIVSA-N 325.430 3.244 30 40 EGEB Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=N/N1CCOCC1 3576258 HWTWZWGTRGDTNJ-VCHYOVAHSA-N 339.226 3.154 30 40 EGEB C[C@@H](C[C@H](O)c1ccccc1)NC(=O)NCc1cc(C#N)ccc1F 95412564 MOYIHZJUUQPZLJ-UGSOOPFHSA-N 341.386 3.009 30 40 EGEB COc1ccccc1/C=C1\S/C(=N\c2ccccc2O)NC1=O 5662093 FMCGYLGBVMQUPI-GDNBJRDFSA-N 326.377 3.292 30 40 EGEB COc1ccccc1CNC(=O)[C@@H](C)O/N=C/c1ccccc1C 15392331 YXSUQVXNMLEIAM-NWGMWSOJSA-N 326.396 3.059 30 40 EGEB CCOc1cc2c(cc1/C=N/NC(=S)Nc1ccccc1)OCO2 409102553 DGONTCKSMJJJCB-VCHYOVAHSA-N 343.408 3.135 30 40 EGEB COCCC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 72088428 LONVDPXDEAYEGH-UHFFFAOYSA-N 326.352 3.334 30 40 EGEB Cc1cc(C)nc([C@@H](C#N)C(=O)c2cc(C)n(-c3ccc(F)cc3)n2)n1 97231539 ZYJRTYHMZVHWAW-INIZCTEOSA-N 349.369 3.217 30 40 EGEB C=CCN1CCC(NC(=O)N[C@H](c2ncccc2C)C(C)C)CC1 76016569 NRQVWQMVKSRSFG-KRWDZBQOSA-N 330.476 3.037 30 40 EGEB Cc1cccc2cc(C#N)c(NCCNC(=O)c3cccc(F)c3)nc12 35289183 OZHIYXFSCWGTHJ-UHFFFAOYSA-N 348.381 3.396 30 40 EGEB N#C[C@@H]1CCCC[C@H]1OC(=O)CCC(=O)c1ccc2c(c1)OCCO2 78612131 KLZPWYKFUJOOPO-GOEBONIOSA-N 343.379 3.046 30 40 EGEB C=CCNC(=O)/C(=C/c1cccs1)NC(=O)c1cccc(C)c1 222784688 OLNHVMIYAKYVSN-VBKFSLOCSA-N 326.421 3.130 30 40 EGEB CC(C)CCN1CCN(C(=O)c2cccc(SCC#N)c2)CC1 96456395 LQNLHRGMUZVSJJ-UHFFFAOYSA-N 331.485 3.106 30 40 EGEB CCc1n[nH]c(SCC(=O)/C=C2/N(C)c3ccccc3C2(C)C)n1 26155380 NTNXDXQLRAAZFG-XNTDXEJSSA-N 342.468 3.340 30 40 EGEB Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@H](c1ccccc1)C(C#N)C#N 105602492 QJAROVKOQCLZEZ-IBGZPJMESA-N 328.375 3.269 30 40 EGEB Cc1[nH]c2ccccc2c1C(C#N)(C#N)C1C(=O)c2ccccc2C1=O 100081493 STVUWNZRVYWDSV-UHFFFAOYSA-N 339.354 3.457 30 40 EGEB CCCc1noc([C@H](C)N2CCCN(c3ccccc3C#N)CC2)n1 52801461 CWGJADQZYZWQIO-HNNXBMFYSA-N 339.443 3.167 30 40 EGEB C[C@@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1ccc(C#N)cc1 56752488 UZTFMHIPNBXWJN-LLVKDONJSA-N 334.335 3.439 30 40 EGEB Cc1noc(C)c1COC(=O)c1c(C)oc(-n2cccc2)c1C#N 48253707 LOTFLJGHSOLULT-UHFFFAOYSA-N 325.324 3.212 30 40 EGEB Cc1nc2cc(C(=O)N[C@H](C#N)c3ccc(F)cc3F)ccc2n1C 68419110 XKVODMKTGGMNHE-MRXNPFEDSA-N 340.333 3.155 30 40 EGEB COc1cc([C@@H](C)Nc2ncc(C#N)cc2Cl)ccc1OCCO 65565270 BSRAXMQNVLMIEQ-LLVKDONJSA-N 347.802 3.159 30 40 EGEB COc1ccc(Br)cc1/C=N/Nc1ccc(Cl)nn1 6566459 VFMHPVIKAKWOED-VIZOYTHASA-N 341.596 3.347 30 40 EGEB Cc1ccc(CCCC(=O)NC2(C#N)CCC3(CC2)OCCO3)cc1 69816938 VVDVEJSQQJWULJ-UHFFFAOYSA-N 342.439 3.013 30 40 EGEB C=CCc1cc(C(=O)Nc2ccc3c(c2)OCO3)cc(OC)c1OC 8944677 PBHKZXRSRSKRBD-UHFFFAOYSA-N 341.363 3.413 30 40 EGEB N#Cc1ccc(CNc2cccc(C(=O)N3CCSCC3)c2)cc1 96427557 DAFBWRJARKVKPQ-UHFFFAOYSA-N 337.448 3.359 30 40 EGEB CN(C(=O)c1cccc(CNc2ncccc2C#N)c1)c1nccs1 97050506 WFRYRNADMQXXNP-UHFFFAOYSA-N 349.419 3.298 30 40 EGEB N#Cc1ccc(F)c(CNC(=O)N2CCO[C@@H](c3cccs3)C2)c1 89799979 IAAKXWBXJFWPIZ-OAHLLOKOSA-N 345.399 3.042 30 40 EGEB CCc1nc(CCNC(=O)NCc2ccc(C#N)cc2F)sc1C 75584445 NTLAYCRHXRYWAY-UHFFFAOYSA-N 346.431 3.067 30 40 EGEB CCN(CCC#N)C(=O)c1cn(CC)c2ccc(Cl)cc2c1=O 95993611 HYESKFGNFXHTOH-UHFFFAOYSA-N 331.803 3.051 30 40 EGEB Cc1c2c(cc3c1O/C(=C\c1ccccn1)C3=O)CN(C1CC1)CO2 41589287 HDINVXJQZJOVEN-MFOYZWKCSA-N 334.375 3.321 30 40 EGEB CC(C)(C)c1nnc(S[C@H]2CCN(c3sccc3C#N)C2=O)o1 83091958 ZCXLZNRSFYJMIM-JTQLQIEISA-N 348.453 3.198 30 40 EGEB C=CCSc1nnc(NS(=O)(=O)Cc2cccc(C)c2)s1 223679226 JFSWPYHWQHARBM-UHFFFAOYSA-N 341.483 3.067 30 40 EGEB N#Cc1c(Cn2cnc3ccc(Cl)cc3c2=O)cn2ccccc12 14902842 GXGZUHJRGQXALE-UHFFFAOYSA-N 334.766 3.223 30 40 EGEB N#CCSc1nc2cc(-c3ccc(Cl)cc3)sc2c(=O)n1N 19797116 MFWWXOBNTZMAHK-UHFFFAOYSA-N 348.840 3.108 30 40 EGEB Cn1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc21 5571549 APECMJAKKUILAG-RQZCQDPDSA-N 339.311 3.441 30 40 EGEB Cc1nc(N2CCC(C#N)(c3ccccc3)CC2)c2ccncc2n1 1888928913 SHQHDHHUMCPGNF-UHFFFAOYSA-N 329.407 3.395 30 40 EGEB CCN(CC(=O)Nc1ccc(Br)cc1C)C[C@H](C)C#N 40556361 KWDLBRDYAARSNW-LLVKDONJSA-N 338.249 3.178 30 40 EGEB CN(C)c1cc[n+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 4129519 SMIOHXYOEZYTOZ-UHFFFAOYSA-O 348.426 3.471 30 40 EGEB COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc3c2ccn3C)cc1 101243579 MKSBYKZYSQEIOX-QGZVFWFLSA-N 347.374 3.148 30 40 EGEB CC1(C)CC(=O)C2=C(C1)OC(=O)C[C@@H]2C(=O)Nc1cccc(Cl)c1 8559662 OAGCAEHIUCIZOG-LBPRGKRZSA-N 347.798 3.485 30 40 EGEB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1cccc2ccccc12 103991167 KCWQNWPQOBZSRR-BAYLBKFSSA-N 342.398 3.227 30 40 EGEB COc1ccc(C(=O)[C@H](C#N)C(=O)c2ccoc2C)cc1OC(F)F 103259720 GBFLLCUBSLYVAC-LBPRGKRZSA-N 349.289 3.403 30 40 EGEB N#C[C@@H](NC(=O)CCC(=O)c1ccc(F)cc1F)c1ccccc1F 75134538 NZGHBRFOPKINCL-MRXNPFEDSA-N 346.308 3.448 30 40 EGEB Cc1c(C(=O)OCc2cn3ccccc3c2C#N)cccc1[N+](=O)[O-] 48304327 HGIHZXCCIFTFAS-UHFFFAOYSA-N 335.319 3.385 30 40 EGEB N#CCn1c(CSc2ccc(F)cc2)nc2ccccc2c1=O 5204586 JUULRMLVBNMXJJ-UHFFFAOYSA-N 325.368 3.351 30 40 EGEB Cc1nnc(NC[C@H](O)c2cccc(C(F)(F)F)c2)c(C#N)c1C 69697528 YSBPPQUEJLADKY-AWEZNQCLSA-N 336.317 3.129 30 40 EGEB CC(C)c1nn(CN(CCC#N)C[C@@H]2CCOC2)c(=S)n1C1CC1 71856494 FWRISLIVXRLLQN-AWEZNQCLSA-N 349.504 3.082 30 40 EGEB N#Cc1cnc(N[C@@H](CO)Cc2c[nH]c3ccccc23)c(Cl)c1 71922321 IUYKKRUKUIXOII-CYBMUJFWSA-N 326.787 3.103 30 40 EGEB C=CCOc1cccc(NS(=O)(=O)c2ccc(OC)c(C)c2)c1 302767637 NTKOFJSRBCONPI-UHFFFAOYSA-N 333.409 3.369 30 40 EGEB N#Cc1cc(NCc2cccc3c2OCCCO3)ccc1[N+](=O)[O-] 97145211 BHGSKKPJMPBXCF-UHFFFAOYSA-N 325.324 3.240 30 40 EGEB COCCn1ccc2cc(NC(=O)N(CCC#N)C3CC3)ccc21 76070364 HMPFCTCVGWCBLD-UHFFFAOYSA-N 326.400 3.198 30 40 EGEB CC(C)NC(=O)C1CCN(c2ccc(C#N)cc2C(F)(F)F)CC1 77955706 FBOGFXVMQLHOFC-UHFFFAOYSA-N 339.361 3.318 30 40 EGEB Cc1nnc(N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)c(C#N)c1C 301928447 ZQTSFZHBXPBGMB-GFCCVEGCSA-N 345.809 3.448 30 40 EGEB N#Cc1cnc(N[C@@H](CN2CCCC2=O)c2ccccc2)c(Cl)c1 78333727 HWPDVIJPVCVLIU-INIZCTEOSA-N 340.814 3.382 30 40 EGEB C=CCN(c1cccc(OC)c1)S(=O)(=O)c1ccc(OCC)cc1 224583576 SKOVTAWMXSXEIV-UHFFFAOYSA-N 347.436 3.475 30 40 EGEB N#CCCn1ncc2c(N3CCC[C@@H]3c3ccc(F)cc3)ncnc21 97199912 JOBIGDADZKDART-MRXNPFEDSA-N 336.374 3.221 30 40 EGEB O=C1c2ccccc2OC[C@@H]1/N=C(/O)[C@H]1CCCN1c1ccccc1 330228879 PVNHYJAXTZAVGI-DLBZAZTESA-N 336.391 3.256 30 40 EGEB CCOC(=O)CN(C(=O)c1ccc(F)c(C#N)c1)c1ccc(F)cc1 252482918 DQHBAUBPMUGVAN-UHFFFAOYSA-N 344.317 3.046 30 40 EGEB N#Cc1cccnc1N1CC[C@H](COc2cccc(C(F)(F)F)n2)C1 1889099107 PTOYMLCJABEHEJ-LBPRGKRZSA-N 348.328 3.272 30 40 EGEB COC(=O)c1ccccc1C(=O)C(F)(F)C(F)(F)C(F)(F)F 575362435 LKVVQUXZTGPDSX-UHFFFAOYSA-N 332.171 3.489 30 40 EGEB COc1ccc(C(=O)/C=C/c2cc(OC)c(O)c(OC)c2)cc1OC 7744413 NJIUFCNXVZDTNF-FNORWQNLSA-N 344.363 3.323 30 40 EGEB N#Cc1cn(CC(=O)NC2CCCC2)c2ccc(Br)cc12 555391 ZUXOHTUACHYDAC-UHFFFAOYSA-N 346.228 3.334 30 40 EGEB COC(=O)c1ccc(C)c(/N=C/c2ccc(O[C@@H](C)C(=O)O)cc2)c1 59303008 FUNSEFJHFQXTNH-HSWQHBDASA-N 341.363 3.384 30 40 EGEB C=CCOc1ccc(/C=C2\CS(=O)(=O)c3ccccc3C2=O)cc1 28912818 AOQSJONTZDZPEP-NTCAYCPXSA-N 340.400 3.305 30 40 EGEB COC(=O)[C@@](C)(NCc1cccc(C#N)c1)c1cc(F)ccc1F 65607924 MMXGQRLNPPDCEN-SFHVURJKSA-N 330.334 3.014 30 40 EGEB CCCOc1ccc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc1 5431692 BOMQHHRVFWWNGW-QGOAFFKASA-N 332.425 3.096 30 40 EGEB Cc1ccc(/N=C2\NC(=O)[C@H](CC(=O)Nc3ccccc3)S2)cc1 5584067 XZSVENAFEDKZJX-HNNXBMFYSA-N 339.420 3.243 30 40 EGEB CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H](C)C1CCN(C)CC1 72289436 KINDUHRZXVPYLB-CQSZACIVSA-N 344.459 3.197 30 40 EGEB N#Cc1cccc(OCc2nnnn2-c2ccc(C(F)(F)F)cc2)c1 48340573 MOJHGAYFDASSKU-UHFFFAOYSA-N 345.284 3.132 30 40 EGEB CN(C)C(=O)CC1CCN(c2ccc(C(F)(F)F)c(C#N)c2)CC1 97379164 JFRPVLHTIBSKPS-UHFFFAOYSA-N 339.361 3.272 30 40 EGEB C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)NCC(F)F 585117477 FXDISKCCHJGROF-LBPRGKRZSA-N 331.407 3.161 30 40 EGEB C=CC[C@@H](CC)NC(=O)Nc1cc(C(=O)N2CCCC2)ccc1OC 390835503 OUPNWSOZNAZCKZ-OAHLLOKOSA-N 345.443 3.407 30 40 EGEB CC(C)(C)c1cn(C2C[C@@H]3CC[C@H](C2)N3c2cccnc2C#N)nn1 1776009222 BBIWBFDPJCBWLW-YIONKMFJSA-N 336.443 3.215 30 40 EGEB CCc1ccccc1NC(=O)COC(=O)c1ccc(C#N)cc1F 8088319 PQGQQEHWWIWOLZ-UHFFFAOYSA-N 326.327 3.055 30 40 EGEB C[C@@H](Sc1nc(C2CC2)n[nH]1)C(=O)Nc1ccc(C#N)c(Cl)c1 11571875 QCPOEGHVIRGVRU-MRVPVSSYSA-N 347.831 3.326 30 40 EGEB O=[N+]([O-])c1cccc(-c2cs/c(=N/N=C/c3cccc(O)c3)[nH]2)c1 13520878 CVGPNVWUBSDWKD-RQZCQDPDSA-N 340.364 3.292 30 40 EGEB COc1cc(C#N)ccc1O[C@H](C)C(=O)N(C)C1(C#N)CCCCC1 14183850 FIEYZOIZYKVBFE-CQSZACIVSA-N 341.411 3.019 30 40 EGEB C=CCN(c1ccccc1C(=O)O)S(=O)(=O)/C=C\c1ccccc1 33247565 FVHRHJBBJASQDU-OWBHPGMISA-N 343.404 3.378 30 40 EGEB N#C[C@H](NC(=O)c1cnn(-c2ccccc2)c1)c1ccc(F)cc1F 71890192 WPVRJFWWGCYLHD-KRWDZBQOSA-N 338.317 3.145 30 40 EGEB COc1ccc(/C=C/C(=O)c2cccc(N3CCCC3=O)c2)cc1O 7350162 YPWBQIQYKXJPMQ-VQHVLOKHSA-N 337.375 3.424 30 40 EGEB N#CCSc1cccc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])c1 79524727 CVZHULOKMWZWHO-UHFFFAOYSA-N 339.376 3.413 30 40 EGEB Cc1ccc2cc(C#N)c(NCCCNC(=O)c3ccncc3)nc2c1 35315469 PGQJTBQWRHSIJF-UHFFFAOYSA-N 345.406 3.042 30 40 EGEB CN(CC#CCNC(=O)NCCCc1ccccc1)Cc1ccccc1 85470648 MNJCJVPSYLRUQA-UHFFFAOYSA-N 349.478 3.054 30 40 EGEB C=CCOc1c(/C=C2/N=C(c3ccco3)OC2=O)cccc1OC 5000797 SUPOLJLLADSSEG-ACCUITESSA-N 325.320 3.198 30 40 EGEB COc1c2c(cc3c1[C@@H]([C@@H](C#N)c1ccccc1)N(C)CC3)OCO2 20112972 ZFNRSRSOZRYKBW-MAUKXSAKSA-N 336.391 3.260 30 40 EGEB biogenic N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccccn1 101495448 JXSMKRHQJPCNJI-GFCCVEGCSA-N 334.162 3.350 30 40 EGEB CCn1cnnc1CNC(=O)Nc1ccccc1C#Cc1ccccc1 78973431 JABLMIOSLXLGFY-UHFFFAOYSA-N 345.406 3.020 30 40 EGEB CCc1cccc(N2C[C@@H](C(=O)Nc3cccc(C#N)c3)CC2=O)c1 13012606 HPYGMOLBZFSWLV-INIZCTEOSA-N 333.391 3.112 30 40 EGEB CCc1oc(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)cc1C 95415196 YLSHMOYDRDVJJA-UHFFFAOYSA-N 340.379 3.482 30 40 EGEB Cc1c(NC[C@H]2CCN(CC(F)(F)F)C2)cc(C#N)cc1[N+](=O)[O-] 95410651 WEZPVUWGHYTETH-LLVKDONJSA-N 342.321 3.071 30 40 EGEB O[C@H](/C(=N\Nc1nncc2ccccc12)c1ccco1)c1ccco1 30955047 IUWGKLDDHDTTAN-IMGOXIFKSA-N 334.335 3.366 30 40 EGEB CC(C)=CC(=O)NCc1ccc(C(=O)[C@@H](C#N)c2ccccn2)cc1 76823971 KNJOZDZUUVQYHD-KRWDZBQOSA-N 333.391 3.154 30 40 EGEB COc1ccc(CC(=O)Nc2ccc(C3(C#N)CC3)cc2)cc1OC 222940143 ZIMWZYVTAPYIGH-UHFFFAOYSA-N 336.391 3.440 30 40 EGEB CCc1cc(C(O)=Nc2n[nH]c(CC)n2)c2c(C(C)C)noc2n1 330032223 JOVVJAAZTGTZKX-UHFFFAOYSA-N 328.376 3.225 30 40 EGEB CCNC(=S)N/N=C/c1ccc(N2CCCC2)c2ccccc12 6387071 SFICQBHMALNFGQ-DEDYPNTBSA-N 326.469 3.258 30 40 EGEB Cc1cc(C)c(C#N)c(SCC(=O)NCCc2ccccc2)n1 89546 XJBKTJQDEDZIJT-UHFFFAOYSA-N 325.437 3.021 30 40 EGEB CCCC[C@H](CC)CN[C@H](CC(=O)Nc1ccccc1C#N)C(=O)O 5258650 RSEBVPJDKDUCLR-WMLDXEAASA-N 345.443 3.146 30 40 EGEB CCc1nnc(C2CCN(c3ncc(C#N)cc3Cl)CC2)s1 2086854630 MMMCQLAVDPBFDU-UHFFFAOYSA-N 333.848 3.405 30 40 EGEB CN(CC(=O)Nc1c(Cl)cccc1Cl)c1ccc(C#N)cn1 12886443 JSQDKCCHMQRNBF-UHFFFAOYSA-N 335.194 3.335 30 40 EGEB C/C(=C\C(=O)C(F)(F)F)N1CCN(C/C=C/c2ccccc2)CC1 13148190 FSVGCHFQYVPIGZ-PLPBUEGTSA-N 338.373 3.353 30 40 EGEB Cc1ncsc1/C=C/C(=O)c1ccc(N2CCOCC2)c(F)c1 84065577 PPLWVTCQRSPTFO-SNAWJCMRSA-N 332.400 3.323 30 40 EGEB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=N/Nc1ccc(C)cc1 13898384 AWLTYTAHTSXHEA-KNTRCKAVSA-N 337.339 3.094 30 40 EGEB N#Cc1ccc(NC[C@@H]2CCN(Cc3nc4ccccc4o3)C2)nc1 65478004 STQVUKFXGMWXLK-HNNXBMFYSA-N 333.395 3.028 30 40 EGEB COc1cc(/C=N/O)ccc1Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 4743361 PQQCMLIESZHHJB-OVCLIPMQSA-N 333.256 3.112 30 40 EGEB C=CC[C@@H](NC(=O)/C=C/c1ccc2c(c1)OCCO2)c1ccncc1 89893935 WAPOATRXCHYRIZ-QQOXCAACSA-N 336.391 3.300 30 40 EGEB Cc1ccc(C)c(/N=C2/CSc3nnc(C(F)(F)F)n3N2)c1 27028818 XUWSBZDYVUJPBD-UHFFFAOYSA-N 327.335 3.293 30 40 EGEB CCOC(=O)c1csc(-n2cc(C#N)c(-c3cccs3)n2)n1 71195246 PLHOXSAEBDHBPU-UHFFFAOYSA-N 330.394 3.106 30 40 EGEB CC#C/C(O)=N/[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O 330031811 DOQGUNRHXSIQJH-LBPRGKRZSA-N 325.195 3.469 30 40 EGEB N#Cc1cccc(OCC(=O)Nc2cc3c(cc2Cl)OCCO3)c1 40477555 QMYVCXQZQKXTQA-UHFFFAOYSA-N 344.754 3.000 30 40 EGEB C[C@H]1CN(Cc2ccccc2CNCc2ccc(C#N)cc2)C[C@H](C)O1 48816788 BFUNZJBQBJZNFQ-ROUUACIJSA-N 349.478 3.457 30 40 EGEB COCc1cc(C)nc(N/N=C/c2ccc(Br)o2)c1C#N 5128084 VVDJOXBEXSHHKB-REZTVBANSA-N 349.188 3.210 30 40 EGEB COc1cc(/C=N/N=C\c2ccc(N(C)C)cc2)cc(OC)c1OC 17025268 PBGDGLSZMSSPQA-AYRZQKSOSA-N 341.411 3.231 30 40 EGEB N#Cc1cc2ccccc2nc1SCC(=O)Nc1nccs1 1331011 HMBVVXWNVCSIKP-UHFFFAOYSA-N 326.406 3.294 30 40 EGEB O=C1Nc2c(Cl)cc(Cl)cc2/C1=N\N=C\c1ccc(O)cc1 3236639 OLOWRXDRWHEHBL-CNHKJKLMSA-N 334.162 3.474 30 40 EGEB CCN(C(C)=O)c1nc(/C=C2\Cc3c(O)cccc3C2=O)cs1 25889973 WFWLMAXQQMGFKD-YRNVUSSQSA-N 328.393 3.044 30 40 EGEB Cc1ccc(N2CC(=O)C(c3nc4ccc(C)cc4[nH]3)=C2N)c(C)c1 5182825 CPPSVOMKRDSWSI-UHFFFAOYSA-N 332.407 3.205 30 40 EGEB CCOc1ccc([C@@H]2NC(=O)C(O)=C2C(=O)c2cccs2)cc1 4453202 HUMVRQWOSXJHNU-AWEZNQCLSA-N 329.377 3.013 30 40 EGEB C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCC[C@@H](C(F)(F)F)C1 14013971 OWGAMMJDMVFECU-WCQYABFASA-N 325.334 3.160 30 40 EGEB COCCCn1c(C)cc(C(=O)COc2cccc(C#N)c2)c1C 6401621 ARBQFXKILCISOL-UHFFFAOYSA-N 326.396 3.275 30 40 EGEB Cc1cc(C)cc(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c1 15742276 GEAPRJOCMHWPJH-UHFFFAOYSA-N 333.435 3.133 30 40 EGEB C=C(Br)Cn1cnc2cccc(Br)c2c1=O 91008117 JJIKEEQCZYPBAB-UHFFFAOYSA-N 344.006 3.068 30 40 EGEB CCOC(=O)Nc1ccc(N[C@@H]2CCN(CC)C[C@H]2C)cc1C#N 97095682 ZXSGBXNEHQCLPD-CZUORRHYSA-N 330.432 3.269 30 40 EGEB C[C@H](NC[C@@H](c1cccs1)N1CCOCC1)c1ccc(C#N)cc1 72287935 QMGLUPVGKNJVMS-YJBOKZPZSA-N 341.480 3.344 30 40 EGEB C=CCOc1ccc(/C=C2\NC(=S)N(CCC)C2=O)cc1Cl 409086321 ZAJYGZSCFVCDFJ-RAXLEYEMSA-N 336.844 3.372 30 40 EGEB Cc1ccc(S(=O)(=O)N/N=C\c2c(C)n(C)c3ccccc23)cc1 33351378 PURKESQGHUBMLT-UNOMPAQXSA-N 341.436 3.108 30 40 EGEB N#Cc1cc([N+](=O)[O-])ccc1NCc1ccc(-n2ccnc2)c(F)c1 63254593 HMPKHWDQQUYPNO-UHFFFAOYSA-N 337.314 3.403 30 40 EGEB Cc1ccccc1N/N=C1\C(=O)N(C2CSC2)c2c(F)cccc21 223756655 YHJZJUJNSFHQDC-PGMHBOJBSA-N 341.411 3.412 30 40 EGEB N#Cc1ccc(Cn2nc(C3CC3)cc(C(F)(F)F)c2=O)c(F)c1 71817236 ILOLCJNOAVOEPN-UHFFFAOYSA-N 337.276 3.199 30 40 EGEB N#CC1(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)CC2(CC2)C1 601191878 RIOUZTFUKJSMBE-UHFFFAOYSA-N 340.267 3.414 30 40 EGEB CSc1ccc([C@@H]2C3=C(C[C@@H](C)CC3=O)Nc3ncnn32)cc1 14607475 IBIXZFKSCIDTFR-QLJPJBMISA-N 326.425 3.268 30 40 EGEB COC(=O)CSc1nc2c(c(-c3ccco3)c1C#N)CCCC2 496294 HJGYUCSGXZMDEW-UHFFFAOYSA-N 328.393 3.357 30 40 EGEB aggregator CCOC(=C\N(C)C)/C=C1\CC/C(=C\C(=C\N(C)C)OCC)C1=O 100315936 UGFAQFAGZZITCR-FLWAHCAASA-N 334.460 3.081 30 40 EGEB COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=N\Nc1ccc(Cl)cc1 409359177 WLFXHYAIBQTYJS-HKWRFOASSA-N 349.818 3.053 30 40 EGEB CC(C)c1ccc(N2CC(=O)C(c3nc4ccccc4n3C)=C2N)cc1 5182957 VWFWFKXUJWKQMU-UHFFFAOYSA-N 346.434 3.413 30 40 EGEB N#Cc1cc([N+](=O)[O-])ccc1N1CCN(c2cccc(Cl)c2)CC1 6335387 CNYJZZFPEUAFEB-UHFFFAOYSA-N 342.786 3.446 30 40 EGEB COc1cc(C#N)ccc1OCC(=O)N1c2ccccc2CC[C@@H]1C 9500344 LFCDRQDYFFAYOL-AWEZNQCLSA-N 336.391 3.314 30 40 EGEB CCCNS(=O)(=O)c1ccc(C(=O)/C=C/c2cccc(F)c2)cc1 7713817 FOXLFXZGBLEYCW-IZZDOVSWSA-N 347.411 3.410 30 40 EGEB C/N=C(/NCc1noc(C)n1)N[C@@H](C)c1ccc(Cl)c(Cl)c1 88922248 JMPFUHAMFKCYIF-QMMMGPOBSA-N 342.230 3.111 30 40 EGEB C=CCOc1ccc(C(=O)N[C@@H]2CC[C@H]3SCCS[C@H]23)cc1 89893997 XRYYIAGFSKYPHT-BZUAXINKSA-N 335.494 3.361 30 40 EGEB C=CCOc1ccc(NC(=O)C(=O)NCc2ccc(CC)cc2)cc1 408709171 PGGOUZUEUSNCPP-UHFFFAOYSA-N 338.407 3.069 30 40 EGEB C=C1CCC(NS(=O)(=O)c2ccc(-c3coc(C)n3)cc2)CC1 618256072 COAXNYGSRTXKLL-UHFFFAOYSA-N 332.425 3.427 30 40 EGEB N#Cc1cc(F)ccc1NC(=O)[C@@H]1CC(O)=Nc2nc3ccccc3n21 85556119 CTDNDAFASHHEAQ-HNNXBMFYSA-N 349.325 3.219 30 40 EGEB CCN(CC)c1ncc(/C=N/NC(=S)NC2CCCCC2)s1 21187960 APXREKUWIBSBPR-GZTJUZNOSA-N 339.534 3.120 30 40 EGEB Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCn1cccn1 57088854 ROSXJAKLUPBHNZ-UHFFFAOYSA-N 347.378 3.279 30 40 EGEB COC(=O)CSc1nc(-c2ccc(Cl)cc2)nc(C)c1C#N 9420606 VEAGEEGOUTWBIM-UHFFFAOYSA-N 333.800 3.242 30 40 EGEB CCOc1cc(C#N)ccc1OCC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 13001631 YYTIZANXSDIAKL-IJEWVQPXSA-N 330.428 3.277 30 40 EGEB CC(=C/c1ccccc1)/C=N/NS(=O)(=O)Cc1ccc(F)cc1 64925287 PYJDDYLAVCSPCW-CFTDAYSMSA-N 332.400 3.334 30 40 EGEB C=CCn1c(O)c(C(=O)Nc2ccc(C)cc2)c(=O)c2ccccc21 6556780 CAXBYPQUSITVIA-UHFFFAOYSA-N 334.375 3.454 30 40 EGEB C[C@@H](Sc1nc2ccccc2[nH]1)C(=O)NC1(C#N)CCCCC1 6908525 NLIDURCUYPABRA-GFCCVEGCSA-N 328.441 3.386 30 40 EGEB C=CCn1cnnc1S[C@H](C)C(=O)Nc1ccc(F)c(Cl)c1 7634137 AGXYWWQZPCILED-SECBINFHSA-N 340.811 3.376 30 40 EGEB C#CC[C@H](OC(=O)c1cccc(NC(=O)NC2CC2)c1)c1ccccn1 68594094 LPCRBIOPUIBQTR-SFHVURJKSA-N 349.390 3.287 30 40 EGEB C[C@H]1CCC[C@@H](CC(=O)N2CCCN(c3ncccc3C#N)CC2)C1 69872438 QNKOTXBUHUAVOY-DLBZAZTESA-N 340.471 3.208 30 40 EGEB CN(/C(N)=N\CC1(c2cc(F)cc(C(F)(F)F)c2)CC1)C1CC1 189386685 UXKHRGDWRCWLHE-UHFFFAOYSA-N 329.341 3.285 30 40 EGEB N#Cc1cccc(C(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)c1 70639888 LBVNVMBKUXKEGV-OAHLLOKOSA-N 334.297 3.040 30 40 EGEB CN(C(=O)c1cccc(CC#N)c1)[C@H]1CCCN(c2ccccc2)C1 79358448 UVQIKWNOMNLWTQ-FQEVSTJZSA-N 333.435 3.494 30 40 EGEB COc1c(S(=O)(=O)c2ccc(C#N)cc2)cnc2ccc(C)cc12 72332521 HDQXOZHCAOCSDW-UHFFFAOYSA-N 338.388 3.256 30 40 EGEB CCC[C@H](C)CS(=O)(=O)/N=C(\O)[C@@H]1C[C@@H]1c1cccc(C#N)c1 83147706 WRBXPTBBEKGPQJ-APHBMKBZSA-N 334.441 3.384 30 40 EGEB Cc1cnc([C@H](C)NS(=O)(=O)c2cc(Cl)ccc2C#N)s1 96483577 OJPMEPBBUURROE-VIFPVBQESA-N 341.845 3.016 30 40 EGEB CC(C)(C)n1ncc(C(=O)N2CCC[C@@](C)(C#N)C2)c1C(F)(F)F 612368937 OWFSGUXWPOMVHO-HNNXBMFYSA-N 342.365 3.423 30 40 EGEB CCOC(=O)[C@@H](C#N)c1cc(Br)cc(Br)c1 1776010876 VRQNYTLGSOXMHM-JTQLQIEISA-N 347.006 3.382 30 40 EGEB CSC(=NS(=O)(=O)c1cccs1)Nc1ccc(F)cc1 18163832 WKEJMNLBFIJGOP-UHFFFAOYSA-N 330.431 3.407 30 40 EGEB Cc1cc(O)c(CN2CCCC2)c2c1C(=O)/C(=C/c1ccncc1)O2 20589012 DJZDTEQZDPRZCN-BOPFTXTBSA-N 336.391 3.308 30 40 EGEB O=C1N[C@H](c2ccc(F)cc2)/C(=C(\O)c2ccc(Cl)cc2)C1=O 104126838 UQAIUOAHCGWEKC-SXWSKBOKSA-N 331.730 3.188 30 40 EGEB CC(C)CC1CC(=O)C(=CNc2ccc(-n3cncn3)cc2)C(=O)C1 100685114 FJMYZACACXWVAN-UHFFFAOYSA-N 338.411 3.157 30 40 EGEB COc1ccc([C@H]2CC(=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc1OC 480645 UGGDNUMIKUSFSO-CYBMUJFWSA-N 343.423 3.293 30 40 EGEB biogenic CCO[C@H](CC)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1C(F)(F)F 103633272 CIMAQCRPKRHOJQ-ZWNOBZJWSA-N 342.317 3.168 30 40 EGEB N#CCSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F 3572486 UGDXQPGTIJYUDB-UHFFFAOYSA-N 329.331 3.280 30 40 EGEB CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1cc2ccccc2o1 9534984 YESLDYJUECJRDW-SGTLLEGYSA-N 328.368 3.033 30 40 EGEB C[C@H](CC(=O)Nc1nc(C#N)c(C#N)[nH]1)c1cccc(C(F)(F)F)c1 71915898 FQQFDMNFZNFSLP-SECBINFHSA-N 347.300 3.304 30 40 EGEB N#CCn1cc(C(=O)N2CCCC[C@@H]2Cn2cccn2)c2ccccc21 72279921 YXVQTDUNZYVWLV-MRXNPFEDSA-N 347.422 3.056 30 40 EGEB Cc1cc(C)n(C[C@H]2CCCCN2C(=O)c2sccc2C#N)n1 72279978 OMSYPEUSAKHRHZ-OAHLLOKOSA-N 328.441 3.128 30 40 EGEB NC(=S)N/N=C/c1ccccc1OC(=O)c1cccc2ccccc12 408891754 UTUMJSXFZVJZEU-CIAFOILYSA-N 349.415 3.226 30 40 EGEB C[C@H](c1ccc(Cl)cc1)N1CCN(C[C@H](C#N)CCC#N)CC1 96435798 UASGDTMLBJVORM-CVEARBPZSA-N 330.863 3.462 30 40 EGEB COc1ccc(/C=N/N2C(=O)c3cccc4cccc(c34)C2=O)cc1 206464 JVCXSIFGAFPHET-CIAFOILYSA-N 330.343 3.479 30 40 EGEB COC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1cccs1)C2=O 5163326 RVXVIYMYLNQZND-QNKACBJSSA-N 330.361 3.305 30 40 EGEB N#Cc1c(N)nc(Sc2ccccc2O)c(C#N)c1-c1cccnc1 20094664 LGTIHIBSTASLOY-UHFFFAOYSA-N 345.387 3.326 30 40 EGEB O=C(CCCCC/N=C(\S)Nc1ccc(Cl)cc1)C[N+](=O)[O-] 101648547 JGQCBZDLRONWOG-UHFFFAOYSA-N 343.836 3.444 30 40 EGEB Cc1ccc(/C=C/C(O)=N/S(=O)(=O)N2CCCc3ccccc32)o1 78527241 FXUBZUGGIZYJEW-ZHACJKMWSA-N 346.408 3.255 30 40 EGEB COc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc([N+](=O)[O-])c1O 35310588 HTDCOOFPGXHCRY-GORDUTHDSA-N 335.262 3.483 30 40 EGEB N#C[C@H](C(=O)NC1CCCCC1)C(=O)c1cnc2ccc(F)cc2c1 179612985 MZCIRZVZPYOMMD-INIZCTEOSA-N 339.370 3.145 30 40 EGEB Cc1ccc(S(=O)(=O)/N=C(\O)[C@H](C)OCc2ccccc2)cc1 48422575 MKQFGXWVDLUTMC-AWEZNQCLSA-N 333.409 3.246 30 40 EGEB C=C(Br)CNC(=O)Nc1cc(NC(=O)CC)ccc1C 49300516 YBIXIFXLBRIBSS-UHFFFAOYSA-N 340.221 3.374 30 40 EGEB CCn1c(SCC(=O)Nc2ccc(C#N)cc2)nnc1C(C)C 20034442 JURPZURWODVMCT-UHFFFAOYSA-N 329.429 3.024 30 40 EGEB CCOc1ccccc1-n1nnc(C(=O)Nc2ccccc2C#N)c1C 4393778 ZZFGTYMSXHKUCG-UHFFFAOYSA-N 347.378 3.098 30 40 EGEB COc1ccccc1[C@H](C#N)NC(=O)Cc1cc(-c2ccccc2)on1 96427199 QZFLGNFSWXXBNP-KRWDZBQOSA-N 347.374 3.274 30 40 EGEB COc1cc(/C=N/O)cc(Cl)c1OCc1ccc(C(=O)O)cc1 409075865 YRLAPFDFNNKQIP-QGMBQPNBSA-N 335.743 3.434 30 40 EGEB Cc1ccc(S(=O)(=O)OC[C@H]2CCCN2Cc2ccccc2)cc1 79436757 RVGMIUZKANUVAH-GOSISDBHSA-N 345.464 3.365 30 40 EGEB N#Cc1c(NC(=O)[C@@H]2COc3ccccc3O2)sc2c1CCCC2 138389 GPFCCUGOPORAEN-HNNXBMFYSA-N 340.404 3.277 30 40 EGEB N#Cc1cccc(C(=O)NC[C@H]2CCCN2c2nc3ccccc3o2)c1 206770769 JBCFYKZWOKNFAV-MRXNPFEDSA-N 346.390 3.098 30 40 EGEB C#CCn1/c(=N/C(=O)CCC)sc2cc(Br)ccc21 100875331 IZVJCFWWALJYIV-PEZBUJJGSA-N 337.242 3.326 30 40 EGEB CN(Cc1ccccc1Cl)S(=O)(=O)Cc1ccccc1C#N 40005744 HXUGMVQJHOHDHF-UHFFFAOYSA-N 334.828 3.173 30 40 EGEB Brc1ccccc1/C=N/N1CCN(c2ccccn2)CC1 100574430 PNRMBEJYEILTKO-CPNJWEJPSA-N 345.244 3.000 30 40 EGEB N#Cc1ccc(CN2CCN(Cc3nc4ccccc4o3)CC2)cc1 22778392 POFSDRHMPADYIE-UHFFFAOYSA-N 332.407 3.017 30 40 EGEB O=[N+]([O-])c1cc(Cl)cc(/C=N/Cc2ccc3c(c2)OCO3)c1O 25257584 KAJBQZPGMMGDAZ-REZTVBANSA-N 334.715 3.302 30 40 EGEB C=CCN(CCc1ccco1)C(=O)Cc1c(C)nn(C(F)F)c1C 95466176 RQEQMMPUJJPRFH-UHFFFAOYSA-N 337.370 3.288 30 40 EGEB O=C1/C(=C\c2cnc(N3CCCC3)nc2)CCOc2ccc(F)cc21 58406468 LOHBJUKTYUEPMM-ZROIWOOFSA-N 339.370 3.265 30 40 EGEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(N3CCCC3)o2)c([N+](=O)[O-])c1 59138175 MVBKLJLSZBQJAY-MHWRWJLKSA-N 345.315 3.142 30 40 EGEB C=CCNC(=O)CSc1nc(-c2ccco2)nc2ccccc12 12900778 ZIHMRKZTGNAGBU-UHFFFAOYSA-N 325.393 3.284 30 40 EGEB Cc1ccc(-n2nc(C)c(/C=N/n3c(C)nnc3C)c2Cl)cc1 6942969 HQMWWXRCIZDPJK-GIJQJNRQSA-N 328.807 3.233 30 40 EGEB Cn1cc(-c2ncc(C(=O)[C@@H](C#N)c3nc4ccccc4o3)s2)cn1 71899855 WNSGHMBMKZGZLR-LLVKDONJSA-N 349.375 3.175 30 40 EGEB C#CCOc1ccccc1CN(C)C(=O)c1ncoc1-c1ccco1 71907529 RZZZBDTYQJTHTM-UHFFFAOYSA-N 336.347 3.219 30 40 EGEB CC12CN3CC(C)(CN(C1)C3[C@]1(CCC#N)CCOC(C)(C)C1)C2 19331586 HQKNMQSCTTUDNB-WYDVDPGPSA-N 331.504 3.239 30 40 EGEB biogenic C[C@H](CC#N)NC(=O)Nc1cccc(C(=O)NCc2ccccc2)c1 120420511 WMAVHFONLJFVMY-CQSZACIVSA-N 336.395 3.040 30 40 EGEB Cc1nnc(S(=O)(=O)CCCC(C)(C)C#N)n1C1CCCCC1 83025104 XPAMAQMUSSSPNW-UHFFFAOYSA-N 338.477 3.195 30 40 EGEB CCN(Cc1cnn(C)c1)c1nc2c(c(C#N)c1C#N)CCCCCC2 619478653 GZRYGUYVSDOUPA-UHFFFAOYSA-N 348.454 3.244 30 40 EGEB C=CCN(C(c1ccccc1)c1ccccc1)[C@H]1CCS(=O)(=O)C1 575419995 CNYNRMMGHIEOLO-IBGZPJMESA-N 341.476 3.451 30 40 EGEB Cc1cc(C)n(C[C@H](O)CON=C2c3ccccc3-c3ccccc32)n1 2700753 WSQCTKNNHMKFGF-INIZCTEOSA-N 347.418 3.310 30 40 EGEB COc1ccc(NC(=O)Cn2cc(C#N)c3ccccc32)cc1OC 51319085 MTIBJHIAJFSEKH-UHFFFAOYSA-N 335.363 3.169 30 40 EGEB CSc1nc2c(c(=O)[nH]1)[C@H](c1ccsc1)C1=C(CCCC1=O)N2 32682301 DIDIQJMCGQDRCG-LLVKDONJSA-N 345.449 3.118 30 40 EGEB COc1ccc(CN2CCC(Nc3ncccc3C#N)CC2)cc1F 52469805 DCOSUTYJFGSZDI-UHFFFAOYSA-N 340.402 3.177 30 40 EGEB C[C@H]1Sc2ccc(C(=O)NC3(C#N)CCCCC3)cc2NC1=O 71815524 BTMZGTQNTZKVQS-LLVKDONJSA-N 329.425 3.076 30 40 EGEB C=CCN1C(=O)[C@@](O)(CC(=O)c2ccccc2)c2cc(Cl)ccc21 1320484 SPQBBAKMMUIOGJ-LJQANCHMSA-N 341.794 3.333 30 40 EGEB Cc1nn(-c2ccccc2)c2nc3c(cc(C#N)c4cccc[n+]43)cc12 3194031 ZUNLSTLZRQQIDF-UHFFFAOYSA-N 336.378 3.493 30 40 EGEB COc1ccc(CN2C(=O)[C@H](C)S/C2=N\N=C\c2ccco2)cc1 13635888 PIDCDZDAANTFJH-YVXZMFEASA-N 343.408 3.142 30 40 EGEB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)Nc1sc2c(c1C#N)CCCCC2 71286906 MBINNKZANNFZCF-QWHCGFSZSA-N 332.425 3.184 30 40 EGEB COc1cccc(/C=N\c2ccc3c(c2)OCO3)c1O[C@H](C)C(=O)O 409232319 QBFDGZCVRCRHDM-CZPFXKHOSA-N 343.335 3.026 30 40 EGEB C=CCNC(=S)N/N=C(\C)c1ccc(N2CCCCCC2)cc1 6946446 NPHCJFQFFPTELV-HMMYKYKNSA-N 330.501 3.441 30 40 EGEB N#Cc1ccccc1N1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1 69512101 PTCUDFXYTJVPNV-UHFFFAOYSA-N 330.391 3.002 30 40 EGEB COc1ccc(F)c(NCC(=O)N(CCC#N)c2ccccc2)c1 127118026 XSOHLCRUFNWQDA-UHFFFAOYSA-N 327.359 3.193 30 40 EGEB COc1cccc(OCc2nc(SC(C)C)nc(N)c2C#N)c1 223692168 RTUIEDQXSUKNDT-UHFFFAOYSA-N 330.413 3.019 30 40 EGEB C=C1[C@H]2CC[C@@]3(CC[C@H]4[C@@]5(CCC[C@@]4(C)CN(CC)C5)[C@@H]3[C@@H]2O)[C@@H]1O 253596088 MZIQVPAVAJXVOK-FZTOKDQSSA-N 345.527 3.213 30 40 EGEB biogenic Cc1cs/c(=N/C2CCCCC2)n1/N=C/c1ccc(O)c(O)c1O 101116769 RGGFUBMUOVFZEF-JCAVOIIISA-N 347.440 3.090 30 40 EGEB COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C)cc1 203541 KOUZONRKPDKPHU-HNNXBMFYSA-N 341.407 3.095 30 40 EGEB CCOC(=O)/C(C)=N/Nc1nc(-c2ccc(NC(C)=O)cc2)cs1 551161 POISWBUJONFAHJ-VXLYETTFSA-N 346.412 3.119 30 40 EGEB COc1cc(OC)c(C(=O)/C=C/c2ccccc2O)c(O)c1OC 4691813 NOXIUTJZGRBUFK-CMDGGOBGSA-N 330.336 3.020 30 40 EGEB COc1ccccc1N1CCN(Cc2ccc(C#N)cc2F)CC1 24574437 QFXSDHRJUXOCFJ-UHFFFAOYSA-N 325.387 3.028 30 40 EGEB CCOC(=O)N/C(=N/c1ccc2c(c1)N(C(C)=O)[C@H](C)C2)SC 6709368 MYWFNJMXIRCLEY-SNVBAGLBSA-N 335.429 3.081 30 40 EGEB C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C 35241578 AXIMAQIOARWDAI-LYJJHTRHSA-N 328.452 3.470 30 40 EGEB biogenic COc1ccc(C[C@@H](C#N)C(=O)Nc2ccccc2F)c(OC)c1 57525151 MUPJOTAYEFXBHG-ZDUSSCGKSA-N 328.343 3.164 30 40 EGEB N#Cc1cccc(NC(=O)c2nc(C3CC3)n(-c3ccccc3)n2)c1 65622875 VTSZZTKORRHWNM-UHFFFAOYSA-N 329.363 3.269 30 40 EGEB N#Cc1cccc(C(=O)N2CCN(c3ccccc3Cl)CC2)c1 8014908 BBRLQIOKMYBKMH-UHFFFAOYSA-N 325.799 3.174 30 40 EGEB N#C[C@@H](C(=O)CN1CCCCCC1=O)c1nc2cc(F)ccc2s1 69743418 YWTPUOJSSMEQJY-LBPRGKRZSA-N 345.399 3.014 30 40 EGEB Cc1oc2ncnc(NC(=O)[C@@H](C)Oc3ccc(C#N)cc3)c2c1C 72235814 DXMDTTSBPBPIEU-GFCCVEGCSA-N 336.351 3.117 30 40 EGEB C/N=C(\NCc1ccsc1)NC[C@H]1CCO[C@@H]1c1ccccc1 89597923 URKCRVQPILTWLD-IAGOWNOFSA-N 329.469 3.191 30 40 EGEB C[C@H](NC(=O)c1occc1COc1cccc(C#N)c1)c1ccon1 89913450 ARWDVFJAKGHENB-LBPRGKRZSA-N 337.335 3.209 30 40 EGEB O=Cc1ccc(C#CCCCCN2C(=O)c3ccccc3C2=O)s1 73633283 UUNAOKMACFWRIX-UHFFFAOYSA-N 337.400 3.379 30 40 EGEB Cn1cccc1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O 409405917 PKBYQHTZLWUFDC-UHFFFAOYSA-N 328.375 3.284 30 40 EGEB CCc1ccccc1N=C[C@H]1C(=O)NC(=O)N(c2cccc(C)c2)C1=O 408536524 RSUWBGFDMDXOHL-INIZCTEOSA-N 349.390 3.159 30 40 EGEB CCn1nc(C)c(C(=O)/C=C/c2cc(OC)c(O)c(OC)c2)c1C 79336418 NCLUQQSKOARXOJ-BQYQJAHWSA-N 330.384 3.139 30 40 EGEB O=Cc1cccc(C#CCCCCN2C(=O)c3ccccc3C2=O)c1 73633288 KETOLRWODLVSAQ-UHFFFAOYSA-N 331.371 3.317 30 40 EGEB C=CCc1cc(C(=O)Nc2cccc(C(=O)OC)c2)ccc1OC 13596187 WSWVJDSPIULYCK-UHFFFAOYSA-N 325.364 3.463 30 40 EGEB O=[N+]([O-])c1ccc(N2CCCCC2)cc1N/N=C1/CN2CCC1CC2 16385333 GOTHDHUGQHCOTF-JZJYNLBNSA-N 343.431 3.079 30 40 EGEB Cc1ccc(NC(=O)/C=N/OCc2ccc([N+](=O)[O-])cc2)c(C)c1 5400502 UKBFNAPQOCFAOG-VCHYOVAHSA-N 327.340 3.353 30 40 EGEB Cn1cc([C@@H]2CN(C(=O)c3cccc(C#N)c3)Cc3ccccc32)cn1 575608500 NTLVKLSMDNGVFG-FQEVSTJZSA-N 342.402 3.080 30 40 EGEB N#C[C@H](Cc1ccncc1)C(=O)Nc1ccc(Br)cc1 419719 KYQDSNKHYIUQIU-LBPRGKRZSA-N 330.185 3.165 30 40 EGEB C#CCOc1cc([C@@H]2CC(O)=Nc3nc(NC)sc32)ccc1OC 61718104 QGHJFLRTBAMATE-NSHDSACASA-N 343.408 3.329 30 40 EGEB CCCc1nc(C(=O)[C@@H](C#N)c2ccccn2)nn1-c1ccccc1F 76089808 BXUCOINNJCYVHA-ZDUSSCGKSA-N 349.369 3.244 30 40 EGEB N#CCCN(Cc1cccnc1)C(=O)c1csc(-c2ccco2)n1 58201112 ZDVFXJNHVOHOPO-UHFFFAOYSA-N 338.392 3.354 30 40 EGEB O=C(/C=C/c1cnc(N2CCOCC2)nc1)c1ccc2ccccc2c1 59404722 NCYXGLMPKUIEIV-VMPITWQZSA-N 345.402 3.363 30 40 EGEB CSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1cccs1 5066774 MPHXRAKCRIOQQA-LBPRGKRZSA-N 345.449 3.118 30 40 EGEB O=C1/C(=N\O)c2ccccc2N1CCOc1cccc2ccccc12 39853892 CCYDPLRVNJJTTP-VZCXRCSSSA-N 332.359 3.444 30 40 EGEB CC(C)N(CCn1c(SCC#N)nc2ccccc2c1=O)C(C)C 5212028 GAOUHEMPFLFSHK-UHFFFAOYSA-N 344.484 3.131 30 40 EGEB N#Cc1ccc(NC(=O)COc2ccccc2F)c(Br)c1 69770871 MNGDJIKMMJMIKX-UHFFFAOYSA-N 349.159 3.477 30 40 EGEB COC(=O)c1ccc(/N=C/c2ccc(N3CCOCC3)c(F)c2)cc1 409135891 WIMPGDYRDMRRBL-FYJGNVAPSA-N 342.370 3.200 30 40 EGEB COc1ccc([N+](=O)[O-])cc1/N=C\c1ccc(O[C@@H](C)C(=O)O)cc1 408814911 GTAMBJWOIRUONA-TZQXVGBESA-N 344.323 3.206 30 40 EGEB C=C[C@@H]1C[N@+]2(C)CC[C@H]1C[C@@H]2[C@H](O)c1ccnc2ccc(OC)cc12 503933239 SJTSZVLGFLZBFK-VHIOBYJXSA-N 339.459 3.318 30 40 EGEB Cc1ccc(COc2nn(Cc3ccccc3F)c(N)c2C#N)cc1 225841277 BCYVPYIMCQNRCH-UHFFFAOYSA-N 336.370 3.412 30 40 EGEB C/C(=N\NC1=NS(=O)(=O)c2ccccc21)c1cccc2ccccc12 45870724 IEXPYPODEMWOSV-DEDYPNTBSA-N 349.415 3.303 30 40 EGEB C#C[C@](C)(CC)NC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1 4653223 ILUGJIRBUKBUSK-XGHSKXIFSA-N 346.430 3.376 30 40 EGEB Cc1[nH]n(-c2ccccc2)c(=O)c1[C@H](c1ccccc1)C(C#N)C#N 105602493 QJAROVKOQCLZEZ-LJQANCHMSA-N 328.375 3.269 30 40 EGEB O[C@@H](/C(=N\Nc1nncc2ccccc12)c1ccco1)c1ccco1 30955045 IUWGKLDDHDTTAN-XUMLYMLNSA-N 334.335 3.366 30 40 EGEB CCCOC(=O)[C@@H](C)Sc1nc(O)c(C#N)c(-c2ccccc2)n1 31773592 HLKZIHNWEXWLOR-LLVKDONJSA-N 343.408 3.155 30 40 EGEB C=CCNC(=O)[C@H](C)Sc1nnc(Cc2cccs2)n1C1CC1 21622821 VZQGISQISNLOJO-NSHDSACASA-N 348.497 3.048 30 40 EGEB O=C1C=Cc2ccccc2/C1=N\Nc1ccc(Cl)cc1C(=O)O 103429630 BPSLOTCRJRKHAD-CAPFRKAQSA-N 326.739 3.450 30 40 EGEB C[C@@H](C(=O)N[C@]1(C#N)CCSC1)c1ccc(Br)s1 79860957 SVXANCYFJHFYMD-PELKAZGASA-N 345.287 3.130 30 40 EGEB Cc1nc(SCc2nnnn2-c2ccccc2)c(C#N)c(C)c1C 12533178 XKALVYXXTUQXOC-UHFFFAOYSA-N 336.424 3.147 30 40 EGEB CC(C)COC(=O)C[N+](C)(C)CCO[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C 4973979 ZCGXPPMGQSXPBJ-HLIPFELVSA-N 340.528 3.493 30 40 EGEB COc1cccc(C(=O)/C=C/c2cc3c(c(OC)c2OC)OCO3)c1 35324189 YBMVYAHQSOETJQ-BQYQJAHWSA-N 342.347 3.337 30 40 EGEB C=CCSc1nnc(NC(=O)c2ccc(CN(C)C)cc2)s1 12695661 PFFZNIGUGWNTHH-UHFFFAOYSA-N 334.470 3.130 30 40 EGEB CC(C)c1cccc(S(=O)(=O)/N=C(\O)CCc2cccnc2)c1 95443401 KLMKPOUJWVNCIF-UHFFFAOYSA-N 332.425 3.483 30 40 EGEB Sc1nncn1/N=C/c1ccc(COc2ccccc2Cl)o1 36611084 CVBXBYKFMMNWBZ-REZTVBANSA-N 334.788 3.274 30 40 EGEB C=C(C)CN(CC)C(=O)Nc1ccc(NS(=O)(=O)CC)c(C)c1 117457755 MFKIABMOGOBVOW-UHFFFAOYSA-N 339.461 3.187 30 40 EGEB COc1ccc(/C(N)=N/OC(=O)c2ccc(C(C)(C)C)cc2)cc1 4191385 ORDBTYVMWUBAKB-UHFFFAOYSA-N 326.396 3.470 30 40 EGEB Cc1cc(O)ccc1N1CC(=O)C(c2nc3ccccc3s2)=C1N 5009234 SQAPTAUACFWVFL-UHFFFAOYSA-N 337.404 3.027 30 40 EGEB COc1cc(C)c(NC(=O)NCc2ccc(C#N)cc2F)cc1OC 69615647 GHUDGJYXIOVNSF-UHFFFAOYSA-N 343.358 3.345 30 40 EGEB C[C@H](CCc1ccccc1)NC(=O)c1ccc(NC(=O)CC#N)cc1 8727268 FEXXVQRAGHHLBA-OAHLLOKOSA-N 335.407 3.290 30 40 EGEB CC(C)[C@@H](C#N)N1CCN(Cc2ccc(Br)s2)CC1 95394542 KRFUNOMSGRMBHD-CYBMUJFWSA-N 342.306 3.176 30 40 EGEB C[C@H](NC[C@@H](O)c1ccc(C#N)cc1)c1cccc(N2CCCC2=O)c1 95984703 YLWMDMVMKIGERO-MGPUTAFESA-N 349.434 3.069 30 40 EGEB O=[N+]([O-])c1ccccc1/C=N\NC(F)(F)C(F)(F)C(F)(F)F 409030453 DIEDIWZMIQORSQ-DVZOWYKESA-N 333.163 3.309 30 40 EGEB COc1ccccc1/N=C/c1cccc(OC)c1O[C@H](C)C(=O)O 409237166 JTEWHNNMRGWGTH-ZGXHQARYSA-N 329.352 3.306 30 40 EGEB Cc1cccc(N2CCO[C@H]2c2cn(Cc3ccc(C#N)cc3)nn2)c1 216759856 FKHSUYPAWWRGRC-FQEVSTJZSA-N 345.406 3.042 30 40 EGEB N#Cc1cccc(N[C@@H]2CO[C@]3(CCN(Cc4cccs4)C3)C2)c1 96218890 YFDZYOXDQRGQLV-PKOBYXMFSA-N 339.464 3.465 30 40 EGEB N#Cc1ccsc1NC(=O)COc1cccc(Br)c1 8527997 QYOARNBWEGYNRR-UHFFFAOYSA-N 337.198 3.400 30 40 EGEB N#Cc1cccc(N2CCC[C@H](COc3ncccc3Cl)C2)n1 2298188653 RMBXGHWXKXPGEO-ZDUSSCGKSA-N 328.803 3.297 30 40 EGEB COC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(C)o1)C2=O 544149 JZWQLZSHQXSGGM-RCEBRVLHSA-N 328.320 3.145 30 40 EGEB CCCNC(=O)c1ccc(NC(=O)NCc2cccc(C#N)c2)cc1 56641646 GERNGIWQBDPUTM-UHFFFAOYSA-N 336.395 3.020 30 40 EGEB Cc1cccc([C@H]2CC(=O)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)c1 1427432 IJDFBCUAQQBISO-OAHLLOKOSA-N 326.440 3.431 30 40 EGEB CC[C@@]1(C)C[C@](O)(CC/N=C/c2ccc(OC)c(OC)c2)CCO1 100743010 JPFVAGVFSAETKK-YPFRYUKGSA-N 335.444 3.223 30 40 EGEB biogenic Cc1nnc(NC[C@@H](c2cccs2)N2CCCC2)c(C#N)c1C 58295791 USPFWQBTECXEDJ-HNNXBMFYSA-N 327.457 3.276 30 40 EGEB N#Cc1c(F)cccc1N1CCC[C@H]1c1nnc2n1CCCCC2 58406665 DHQLWZRSHKKFNK-INIZCTEOSA-N 325.391 3.357 30 40 EGEB N#Cc1ccc(S(=O)(=O)/N=C(\O)CCCc2ccccc2)cc1 48503360 BSJUQVSWDYFMNI-UHFFFAOYSA-N 328.393 3.226 30 40 EGEB Cc1[nH]c2ccccc2c1/C(O)=N/S(=O)(=O)Nc1ccc(F)cc1 4050835 BYFHMMIOJAZVOT-UHFFFAOYSA-N 347.371 3.277 30 40 EGEB C=CCSc1nnc(NC(=O)c2cccc(OC)c2OC)s1 21578097 SLXZXIMEBVKROQ-UHFFFAOYSA-N 337.426 3.086 30 40 EGEB Cc1ccc(/C=C/C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)s1 5155988 KYTXAAJQFYFYBS-DHZHZOJOSA-N 335.450 3.203 30 40 EGEB N#CCCN(CCC(F)(F)F)C(=O)[C@@H]1CCOc2ccccc21 88219858 MNNXZCLQVQEOMX-CYBMUJFWSA-N 326.318 3.247 30 40 EGEB Cc1ccc(S(=O)(=O)OC[C@@H]2CCCN2Cc2ccccc2)cc1 79436754 RVGMIUZKANUVAH-SFHVURJKSA-N 345.464 3.365 30 40 EGEB Cc1cccc(S(=O)(=O)/N=C(\O)c2occc2Br)c1 83763080 VBJNAXSNEWOWRU-UHFFFAOYSA-N 344.186 3.044 30 40 EGEB O/C(Cn1ccc2ccc(F)cc21)=N\c1nc([C@H]2CCCO2)n[nH]1 95480904 DPRDTHJSGGRBLI-CYBMUJFWSA-N 329.335 3.038 30 40 EGEB C=CCO[C@H]1CCN(C(=O)c2ccc(C)o2)[C@H]1Cc1ccncc1 96200775 ASBBKVGESNGLLH-IRXDYDNUSA-N 326.396 3.011 30 40 EGEB Cc1ccccc1NC(=O)[C@H]1CCCN1/C=C/C(=O)C(F)(F)F 4119676 MEHHQQRKKPKTMC-AORWBKJGSA-N 326.318 3.043 30 40 EGEB O=C1[C@@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C(=O)N1/N=C/c1c(O)ccc2ccccc12 169305728 FGSNUPZWVPHNII-STCUEMLKSA-N 346.386 3.077 30 40 EGEB C=C(C)CN1CCC(NC(=O)Nc2cc(F)c(OC)c(F)c2)CC1 71880050 GRXRNTNFGZHIAK-UHFFFAOYSA-N 339.386 3.135 30 40 EGEB Cn1cc(C#N)cc1C(=O)Nc1ccnc(Sc2ccccn2)c1 79048248 JDQMKTWXEHGGMC-UHFFFAOYSA-N 335.392 3.090 30 40 EGEB CCNc1ccc(C#N)cc1NS(=O)(=O)c1ccc(C)c(C)c1 79054813 WCAPJJOKUBGPAY-UHFFFAOYSA-N 329.425 3.408 30 40 EGEB CC(C)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccnc1 6015111 MNIFGHLMQCLYCS-KRWDZBQOSA-N 336.391 3.316 30 40 EGEB Cc1ccc(NC(=O)C(C)C)cc1NCC(=O)N[C@@](C)(C#N)C(C)C 55845092 ZFNJBCVCBRHPET-IBGZPJMESA-N 344.459 3.056 30 40 EGEB COc1c(/C=C/C(=O)c2ccc(F)cc2)cc2c(c1OC)OCO2 35325006 JHZCDBATQCAPPM-VMPITWQZSA-N 330.311 3.468 30 40 EGEB COc1cccc(/C=N/Nc2ccc([N+](=O)[O-])cn2)c1OC(C)C 9264397 RENLPKFMNZXXBG-GIJQJNRQSA-N 330.344 3.232 30 40 EGEB CCc1nnc(S)n1/N=C/c1ccc(COc2ccccc2C)o1 36611526 ADPWMMAMCDIKTR-VCHYOVAHSA-N 342.424 3.492 30 40 EGEB N#Cc1ccccc1CNc1ccccc1C(=O)NCC(F)(F)F 11702918 PTLJMNODKPMAJD-UHFFFAOYSA-N 333.313 3.462 30 40 EGEB C[C@@](C#N)(NC(=O)CSc1ncc(-c2ccc(F)cc2)[nH]1)C1CC1 39517326 TVSHZDPVKPZLMN-KRWDZBQOSA-N 344.415 3.116 30 40 EGEB CCOc1ccc([C@H]2NC(=O)C(O)=C2C(=O)c2cccs2)cc1 4453201 HUMVRQWOSXJHNU-CQSZACIVSA-N 329.377 3.013 30 40 EGEB CCOc1ccc2c(c1)s/c(=N\N=C\c1ccccc1O)n2C 4662882 XCCPCOFAMXQDQK-ONMBGNKZSA-N 327.409 3.279 30 40 EGEB C=C(C)CSc1nnc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)n1N 9329946 IYLHSYIPDHJOJZ-UHFFFAOYSA-N 346.847 3.371 30 40 EGEB CC[C@H](C)c1cc(C(=O)N[C@H](C#N)c2cnn(-c3ccccc3)c2)on1 96423688 ZEAAQRSNTYUSNB-SUMWQHHRSA-N 349.394 3.368 30 40 EGEB CN(Cc1ccc(C#N)cc1)C(=O)Cn1c(C2CC2)nc2ccccc21 69520162 GUVJSWAGCKKRCJ-UHFFFAOYSA-N 344.418 3.444 30 40 EGEB N#Cc1cccc(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)c1 69777850 QMRWMHUNSXKXCJ-INIZCTEOSA-N 339.464 3.262 30 40 EGEB CN(C)Cc1cccc(CNC(=O)Nc2ccc(F)cc2C#N)c1 97472809 RSUMLHBGSQFJBY-UHFFFAOYSA-N 326.375 3.081 30 40 EGEB COc1cccc2c1OCC(C(=O)[C@@H](C#N)c1nc3ccccc3o1)=C2 75126773 AKDWJUVBTDCOFH-CQSZACIVSA-N 346.342 3.489 30 40 EGEB N#Cc1ccc(CCC(=O)NCc2cncc(-c3ccoc3)c2)cc1 675007983 JCAJHUUSKOMGPZ-UHFFFAOYSA-N 331.375 3.462 30 40 EGEB CCc1nnc([C@@H]2C(=N)S/C(=C\c3ccccc3O)C2=O)s1 137180759 YGZWDHLKBABPTM-AKYMWTFYSA-N 331.422 3.224 30 40 EGEB Cc1c(N[C@H](C)C(=O)N(C)CCC#N)cnn1-c1cccc(Cl)c1 97102917 PRSWUPWQPVLXGR-GFCCVEGCSA-N 345.834 3.007 30 40 EGEB CC1(C)[C@H](Nc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)[C@H]2CCO[C@H]21 230102547 YAQFDPSUBLSYFB-CSMYWGQOSA-N 338.367 3.240 30 40 EGEB CCOc1ccc(-n2nc(C#N)c(N3CCCC[C@@H]3CC)n2)cc1 256047739 OHRJVCRLSIEEIG-AWEZNQCLSA-N 325.416 3.307 30 40 EGEB Oc1ccc(/C=N/n2c(S)nnc2-c2ccccc2Cl)c(O)c1 6059925 XIUPYMQQAWHSTM-CAOOACKPSA-N 346.799 3.181 30 40 EGEB Cc1ccc([C@@H]2c3c(nn(-c4ccccc4)c3O)NC(=O)[C@@H]2C#N)cc1 14163209 BOVRLWMVSYKCBX-CVEARBPZSA-N 344.374 3.110 30 40 EGEB C[C@H](Oc1cccc(Cl)c1)c1ccnc2nc(/N=C/N(C)C)nn12 100554935 QCIDABMIGABSSL-VSMYLPJWSA-N 344.806 3.139 30 40 EGEB O=C1N/C(=N\c2ccc(F)cc2)S/C1=C\c1ccc(O)c(O)c1 140527 QMJSXHGAAZRGQP-ZSOIEALJSA-N 330.340 3.129 30 40 EGEB C=CCNC(=O)COc1cccc(-c2noc(-c3ccccc3)n2)c1 33327239 AOTQVUKZNGUCFX-UHFFFAOYSA-N 335.363 3.085 30 40 EGEB CCOc1ccc(OCC)c(NS(=O)(=O)c2ccc(C#N)cc2)c1 7055853 RBPRCLPRKDBIKF-UHFFFAOYSA-N 346.408 3.156 30 40 EGEB C#CCOC(=O)C[N+](C)(C)Cc1sc(Cl)c(Cl)c1Cl 1813753 JDJFQKZZTITCMO-UHFFFAOYSA-N 341.667 3.461 30 40 EGEB Cn1c(-c2ccccc2)nnc1[C@@H](C#N)C(=O)c1ccc2c(c1)CCC2 66548688 JFRFTASUJMXEID-SFHVURJKSA-N 342.402 3.461 30 40 EGEB C[C@@H]1C[C@@H]1/C(O)=N/S(=O)(=O)c1ccc(F)cc1C(F)(F)F 71883908 XOGDRPKBPMDNCO-SVRRBLITSA-N 325.283 3.146 30 40 EGEB N#CC1(C(=O)NCCc2nc(-c3cccc(Cl)c3)no2)CCCC1 71908003 XEVCBUSNZPMBHR-UHFFFAOYSA-N 344.802 3.133 30 40 EGEB CCOC(=O)c1cccc(/N=C\c2ccc(O[C@@H](C)C(=O)O)cc2)c1 408819985 SIIWAVGKWIPHSF-RQZLXBNYSA-N 341.363 3.466 30 40 EGEB CC(=O)Nc1cccc(CN2CCN([C@@H](C#N)c3ccccc3)CC2)c1 88524686 ROLNTUUOYHCPKD-NRFANRHFSA-N 348.450 3.027 30 40 EGEB C[C@@H](CC#N)N(C)C(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1 84636673 RWSPOHJOHAKJTL-VIFPVBQESA-N 348.300 3.127 30 40 EGEB CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccco1 409308213 WRHXHNIVCUHNHD-UHFFFAOYSA-N 346.184 3.197 30 40 EGEB CCc1ccc([C@@H]2[C@H](C=O)[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1 218648719 JKOZAAVSJCUHMX-OTWHNJEPSA-N 328.433 3.312 30 40 EGEB C=CC[C@H](CC)NC(=O)c1ccc([N+](=O)[O-])cc1Br 281452242 SCIZNLXXQSBROG-VIFPVBQESA-N 327.178 3.442 30 40 EGEB N#Cc1ccc(C(=O)O)nc1/C=C/c1cnc(-c2ccccn2)s1 390835234 HGHZSTMPOKEBPF-FNORWQNLSA-N 334.360 3.340 30 40 EGEB CCOc1ccc(/C(CNC(=O)OC(C)(C)C)=N/O)cc1OCC 599884670 JEEUEZGTGGKABL-CPNJWEJPSA-N 338.404 3.187 30 40 EGEB COc1c(O)c(C(=O)/C=C/c2ccccc2)c(OC)c(OC)c1OC 5998576 LETBAZLAGJPEIM-ZHACJKMWSA-N 344.363 3.323 30 40 EGEB biogenic,in-vitro N#Cc1ccnc(OC[C@H]2CCCN(C(=O)c3ccccc3F)C2)c1 1775971539 SZBPSXLHCQFRIS-HNNXBMFYSA-N 339.370 3.024 30 40 EGEB CN1CCN(/N=C/c2sc(Nc3ccccc3)nc2Cl)CC1 21540498 HLDFDWUYTARSER-GZTJUZNOSA-N 335.864 3.121 30 40 EGEB COc1ccc([C@@H]2CC(=O)[C@@H](C(C)C)C(C#N)(C#N)C2(C#N)C#N)cc1 506222 ISMQMIQHILILPT-FUHWJXTLSA-N 346.390 3.091 30 40 EGEB N#Cc1cc(F)c(N2CCCN(C(=O)c3ccsc3)CC2)c(F)c1 58224871 XIRGTSYPZLYWNZ-UHFFFAOYSA-N 347.390 3.250 30 40 EGEB N#Cc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1 3364599 QOAQPPYGIPRFBX-UHFFFAOYSA-N 325.799 3.174 30 40 EGEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1ccc(-c2ccccc2)o1 409404112 CCJZVGRKPPLJIL-DFEHZGFQSA-N 332.359 3.088 30 40 EGEB COC(=O)[C@@](C)(NCc1ccc(C#N)cc1)c1cc(F)ccc1F 65530763 ZGSOFMDKVUYEPQ-SFHVURJKSA-N 330.334 3.014 30 40 EGEB N#Cc1ccc(C(=O)N2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1 97233601 VFWAMSBJZLHWEK-UHFFFAOYSA-N 348.328 3.251 30 40 EGEB CSc1nc(O)c(C(=O)N2CCCc3cc(C)ccc32)cc1C#N 97232743 SJVDJRNFZJZKLB-UHFFFAOYSA-N 339.420 3.282 30 40 EGEB C#CCOc1ccc(/C=C2\SC(=O)N(C(C)C)C2=O)cc1OC 409057459 QIMXEZCEYQNTHE-GDNBJRDFSA-N 331.393 3.152 30 40 EGEB COc1ccc2c(c1)CC/C2=N\OC(=O)Cc1ccc([N+](=O)[O-])cc1 32131515 NWXHPOXDPGCRCL-HTXNQAPBSA-N 340.335 3.040 30 40 EGEB C=CCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 224894625 WRYKEMFTGBPGRG-UHFFFAOYSA-N 348.399 3.165 30 40 EGEB Cc1cnc(C(C)(C)NC(=O)NCc2ccc(C#N)cc2F)s1 95409039 POXRABGPRXOAEQ-UHFFFAOYSA-N 332.404 3.197 30 40 EGEB CC(C)C[C@H](C)S(=O)(=O)/N=C(\O)c1ccnn1C1CCCC1 96478864 MEZCUTKIARFYGA-LBPRGKRZSA-N 327.450 3.067 30 40 EGEB CCS(=O)(=O)c1cnc(S)c(C#N)c1-c1ccc(Cl)cc1 96510091 ZPAZADATRMNTLO-UHFFFAOYSA-N 338.841 3.356 30 40 EGEB N#C[C@]1(C(F)(F)F)CCCN1C(=O)c1cc(F)cc2cccnc12 585126116 OXKLEPCQJTXTRF-HNNXBMFYSA-N 337.276 3.435 30 40 EGEB Cc1ccccc1-n1nc(C#N)c(N2CC[C@@H](c3ccccc3)C2)n1 256045676 ALIAFWGEQCWSBE-QGZVFWFLSA-N 329.407 3.441 30 40 EGEB C=C(C)CN(CC)C(=O)CNc1cc(NC(=O)C2CC2)ccc1C 55849235 WADOAEUOUANWBU-UHFFFAOYSA-N 329.444 3.180 30 40 EGEB CCn1nnnc1/N=C(\O)c1cccc2c(Br)cccc12 514906 PBSMSIDQDKYAJP-UHFFFAOYSA-N 346.188 3.245 30 40 EGEB COc1cc(/C=C2/COc3ccccc3C2=O)cc(OC)c1OC 3582457 HXKRMVAESHQPKO-JYRVWZFOSA-N 326.348 3.371 30 40 EGEB NC(=O)c1c(/N=C/c2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 354851 ONZDXOFZMDFWBL-GIJQJNRQSA-N 329.381 3.385 30 40 EGEB CC(C)c1cc(C(=O)[C@@H](C#N)C(=O)NC2CCCC2)nn1C(C)(C)C 103509762 GRIWVXVRVFMYJB-CQSZACIVSA-N 344.459 3.143 30 40 EGEB N#Cc1cccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)c1 33631530 INZYADZHNHQJFA-UHFFFAOYSA-N 342.298 3.258 30 40 EGEB C#CCN1CCC(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)CC1 66397235 PBMKLMFWVSOIOI-IBGZPJMESA-N 337.467 3.010 30 40 EGEB N#CC1(NC(=O)CNc2ccccc2N2CCCCC2)CCCCC1 15357071 RYXVEDQPMATTHT-UHFFFAOYSA-N 340.471 3.431 30 40 EGEB Cc1nn(CC(=O)[C@@H](C#N)c2nc3ccccc3o2)c(C)c1Cl 69697926 LICLIMQWHTWQME-LLVKDONJSA-N 328.759 3.171 30 40 EGEB N#Cc1ccc(N2CCO[C@H](c3ccccc3Br)C2)nc1 72073139 XUOOLUNTCYFSAM-HNNXBMFYSA-N 344.212 3.294 30 40 EGEB CN(C)/C=N/c1ncc(-c2ncc(C(F)(F)F)cc2Cl)cn1 18080984 PHEKNLFVOLMIKW-QPSGOUHRSA-N 329.713 3.432 30 40 EGEB Cc1nc(SCC(=O)NC2(C#N)CCCC2)n(CC(C)C)c1C 7988980 MJAODAPFMQSCNT-UHFFFAOYSA-N 334.489 3.201 30 40 EGEB C=C(C)Cn1cnc2c(sc3nc(N4CCCC4)cc(C)c32)c1=O 71283869 UYZPTFUZLWLKRM-UHFFFAOYSA-N 340.452 3.491 30 40 EGEB COc1ccc(C(C)C)cc1S(=O)(=O)Nc1cccc(C#N)c1 74934758 BXNUKRPMXWXLRZ-UHFFFAOYSA-N 330.409 3.491 30 40 EGEB CC[C@H](C)n1c(C#N)cc(N)c1N1CCN(Cc2ccccc2)CC1 225871890 DNLPPMSZWSSIAY-INIZCTEOSA-N 337.471 3.235 30 40 EGEB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1ccc(C#N)cc1 40554525 YRIYODBQYOMMFU-UHFFFAOYSA-N 343.364 3.206 30 40 EGEB C[C@]12CC[C@H]3[C@@H]([C@@H](N4CC4)CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O 17020138 TVLJGVSJCIAMRD-BPSSIEEOSA-N 329.484 3.173 30 40 EGEB N#Cc1ccc(S(=O)(=O)N2CCS[C@H](c3ccco3)CC2)cc1 219454548 QPMJBXZDOKIWRZ-INIZCTEOSA-N 348.449 3.020 30 40 EGEB Cc1c(/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cccc1[N+](=O)[O-] 102887058 BJNZTYLOMGRMNP-FRKPEAEDSA-N 329.268 3.291 30 40 EGEB COC(=O)[C@H]1CCCCCC[C@H]1NC(=O)Nc1ccc(C#N)cc1 79097561 VJZPDTUNRJRLJW-JKSUJKDBSA-N 329.400 3.192 30 40 EGEB CC[C@H](CC#N)NC(=O)Nc1ccccc1CN1C[C@H](C)O[C@H](C)C1 97377723 NIKVBZDRMOWLTA-HLLBOEOZSA-N 344.459 3.110 30 40 EGEB N#Cc1c(F)cccc1NCc1ccccc1CN1CCOCC1 26760160 QADGRAIGPAMXNH-UHFFFAOYSA-N 325.387 3.142 30 40 EGEB CCCCCCCCCS(=O)(=O)N/N=C/c1ccc(O)cc1O 2190125 ZMKBJRXMRXRIAB-GHRIWEEISA-N 342.461 3.102 30 40 EGEB N#CCCN(C(=S)NC(=O)c1cccs1)c1ccccc1F 3305564 LYPUEMQKMRIJHH-UHFFFAOYSA-N 333.413 3.322 30 40 EGEB O=C(O)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)F 114637448 HDLFODOGTBJVKF-UHFFFAOYSA-N 346.048 3.038 30 40 EGEB N#C[C@H](NC(=O)C[C@](O)(c1ccccc1)C1CC1)c1ccccc1F 95442808 CPANQALHQYNYCW-ICSRJNTNSA-N 338.382 3.194 30 40 EGEB C#CCN([C@H]1CCc2ccccc21)S(=O)(=O)Cc1ccc(F)cc1 69532972 HVOUZAHPYZTFAE-IBGZPJMESA-N 343.423 3.278 30 40 EGEB N#Cc1ccc(NC(=O)N2CCOC[C@@H]2C2CC2)cc1C(F)(F)F 89872054 OPIZWEWFMDXFAM-CQSZACIVSA-N 339.317 3.220 30 40 EGEB C[C@@H](NC(=O)c1occc1COc1cccc(C#N)c1)c1ccon1 89913451 ARWDVFJAKGHENB-GFCCVEGCSA-N 337.335 3.209 30 40 EGEB N#Cc1cccc(CN2CCO[C@@]3(CCCC[C@H]3N3CCCC3)C2)c1 306143169 XUYPUQCZOKZNEQ-RTWAWAEBSA-N 339.483 3.168 30 40 EGEB Clc1nc2ccccc2nc1N/N=C/c1ccc2c(c1)OCO2 32647108 ZQJOSPGPEUGKMU-QGMBQPNBSA-N 326.743 3.458 30 40 EGEB N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@@H]1Cc2ccccc2O1 75299183 HTASWPIVOJAXSE-GGPKGHCWSA-N 332.403 3.288 30 40 EGEB C=CCN(c1cccc(F)c1)S(=O)(=O)c1ccc(OC)c(F)c1 225109453 SSFHLNNXBSAUDC-UHFFFAOYSA-N 339.363 3.355 30 40 EGEB CO[C@@H]1C[C@@H](c2ncc[nH]2)N(c2ccc(C#N)c(C(F)(F)F)c2)C1 591631974 QXDUEHDJSOOUCE-OCCSQVGLSA-N 336.317 3.267 30 40 EGEB COc1cccc(OC)c1OC1CCN(c2ccc(C#N)cn2)CC1 44976719 UISYWBZHYCMYPU-UHFFFAOYSA-N 339.395 3.018 30 40 EGEB N#C[C@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])c1ccc(F)cc1F 95982279 WDCBLVPAKWUQAI-ZDUSSCGKSA-N 335.241 3.007 30 40 EGEB CCCCCCC[C@H](O)/C=C\[C@@H](O)CC[C@@H](O)CCCC(=O)O 229769449 FITAKYVPWCVTII-AXSGGKLASA-N 330.465 3.021 30 40 EGEB biogenic,in-vitro N#Cc1ccccc1S(=O)(=O)N[C@H]1CCSc2ccccc21 22276566 VJBKMPCQZVELIR-AWEZNQCLSA-N 330.434 3.074 30 40 EGEB Cn1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)cc1=O 78967481 QQCPBELMFZFPTR-UHFFFAOYSA-N 335.388 3.238 30 40 EGEB CNC(=S)N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1 7944336 RCIZGHKIVOPAOM-VCHYOVAHSA-N 341.465 3.029 30 40 EGEB C=CCNc1nc(C(=O)O[C@@H](C)C(=O)Nc2cccc(C)c2)cs1 10134345 ACUPGHVRNREAIV-LBPRGKRZSA-N 345.424 3.233 30 40 EGEB CCc1nn(-c2cc(Oc3cccc(C)c3)nc(C)n2)c(N)c1C#N 2182961 YWLBUPYQOTUZMG-UHFFFAOYSA-N 334.383 3.088 30 40 EGEB COc1ccc(C(=O)/C=C/c2nccn2CC(F)(F)F)c(OC)c1 60376196 HSUVGXIGZFOBKH-AATRIKPKSA-N 340.301 3.359 30 40 EGEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc2c(c1)OCO2 7666826 NTCMLVCEUNNSQY-UHFFFAOYSA-N 335.319 3.231 30 40 EGEB Cc1sc(N=C(N)N)nc1-c1ccc(NC(=O)C(C)(C)C)cc1 70012855 LEYNXTHHDPYUIB-UHFFFAOYSA-N 331.445 3.008 30 40 EGEB N#Cc1cc([N+](=O)[O-])ccc1NC[C@@H](O)c1ccc(OC(F)F)cc1 71910172 SIEKBKLAUVXFPA-OAHLLOKOSA-N 349.293 3.213 30 40 EGEB C=C(Cl)CN(C(=O)[C@H]1CCN(C)C(=O)C1)[C@H]1CCc2ccccc21 69900734 GCQPPKHHPZIFTF-RDJZCZTQSA-N 346.858 3.123 30 40 EGEB C=CCOc1cccnc1C(=O)Nc1ccc(-c2ccccn2)cn1 97033589 MCYLHEYEFORQES-UHFFFAOYSA-N 332.363 3.356 30 40 EGEB C=C1C(=O)O[C@H]2C[C@H]1[C@@H](O)C/C(C)=C\CC/C(C)=C\[C@@H](O)C[C@H]2C 38196156 GQTPRLWQZDUWKJ-NPBCRLIOSA-N 334.456 3.299 30 40 EGEB CCOc1cccc2cc(C#N)/c(=N/c3ccccc3C(N)=O)oc12 1775968610 GWJNRLYNAXGKST-QOCHGBHMSA-N 333.347 3.034 30 40 EGEB C[C@@H]1CC(=O)C2=C(C1)Nc1nc(C(F)(F)F)nn1[C@H]2c1ccco1 19959800 VIKLVZCYIYKGLL-MADCSZMMSA-N 338.289 3.158 30 40 EGEB N#Cc1cc(F)c(N2CCN(C(=O)c3cccs3)CC2)cc1Cl 92900 FYWHOGNIYYPQON-UHFFFAOYSA-N 349.818 3.375 30 40 EGEB COc1ccc2nc(SCC(=O)NC(C)(C)C)c(C#N)cc2c1 410670 RRALEZWVNUVJBJ-UHFFFAOYSA-N 329.425 3.122 30 40 EGEB O=S(=O)(/N=C(\O)Cc1ccc(F)cc1)c1cccc2cccnc12 78814591 CPYAYOXRQLEJQZ-UHFFFAOYSA-N 344.367 3.262 30 40 EGEB CC(C)(/C(O)=N/S(=O)(=O)Cc1ccc(C#N)cc1)c1ccccc1 58308129 XMYMNKWZSKOOCH-UHFFFAOYSA-N 342.420 3.322 30 40 EGEB in-vitro CCCNS(=O)(=O)c1ccc(/C(C)=N/OCc2ccccc2)cc1 11103769 OCSWBUGGYXLFON-HMMYKYKNSA-N 346.452 3.316 30 40 EGEB N#Cc1ccsc1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 95434332 HCTLBQVVIXOHEO-HNNXBMFYSA-N 342.420 3.147 30 40 EGEB Sc1nncn1/N=C/c1cn(Cc2ccccc2)c2ccccc12 408820726 YIOXVDVWKNAKOT-KEBDBYFISA-N 333.420 3.452 30 40 EGEB C/C(=N\Nc1nc(C(=O)O)c(Br)s1)c1ccccc1 5242912 OZHFODSVYWKLCQ-VIZOYTHASA-N 340.202 3.440 30 40 EGEB Cc1ncccc1NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 83577431 ONXUZMFWVIVQME-UHFFFAOYSA-N 341.314 3.081 30 40 EGEB COc1ccc(-c2nnc(COc3ccc(C#N)cc3OC)o2)cc1 9450642 XJQLUWQUIGXSIH-UHFFFAOYSA-N 337.335 3.204 30 40 EGEB N#Cc1cccc(CNCC2CCN(C[C@H](O)c3ccccc3)CC2)c1 69490717 KWWUQZVCFDEYEB-QFIPXVFZSA-N 349.478 3.093 30 40 EGEB N#Cc1ccc(Oc2ccc(C(=O)N3CCCC3)cc2)c([N+](=O)[O-])c1 69599976 AGAXFKVTXWBYQP-UHFFFAOYSA-N 337.335 3.495 30 40 EGEB CC/N=C(/NCCC(F)(F)F)NC[C@@H]1CCO[C@H]1c1ccccc1 85101876 GQHYFXJPLNYQFM-GJZGRUSLSA-N 343.393 3.272 30 40 EGEB CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1N[C@@H](C)c1ccc(C#N)cc1 89948693 HHTKHIBGSMVULF-GMBSWORKSA-N 325.456 3.246 30 40 EGEB O=C[C@@H]1[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(F)c1 225630008 WSYOKIMEHMNARE-HRCADAONSA-N 338.787 3.234 30 40 EGEB C#CCOC(=O)/C=C/c1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 226257643 BJPNSWZZUWBSTQ-RMKNXTFCSA-N 327.292 3.053 30 40 EGEB CCc1cc(=O)[nH]c(-c2cccc(/N=C/c3cccc(OC)c3O)c2)n1 44011640 DTVYXXXAKQTKQS-CIAFOILYSA-N 349.390 3.464 30 40 EGEB CCC(CC)n1ccc(C(=O)N[C@@H](C#N)c2ccccc2OC)n1 96482983 APDJHLKGCFHVJS-INIZCTEOSA-N 326.400 3.247 30 40 EGEB CC(C)(C)OC(=O)NC[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1 58225097 WUOFWERWMTYAGT-KRWDZBQOSA-N 329.444 3.295 30 40 EGEB C=CCN1C(=O)/C(=C/c2c[nH]nc2-c2ccccc2)SC1=S 13115397 DVMPNWJXXGQRGU-LCYFTJDESA-N 327.434 3.464 30 40 EGEB O=C(/C=C\N[C@@H](Cc1ccccc1)C(=O)O)c1ccc(Cl)cc1 16478675 PTVUZSPMAUGIIX-SNGWPZLWSA-N 329.783 3.322 30 40 EGEB COc1cccc(/C=N/N2CCN(c3ccc(C)cc3)CC2)c1OC 3172110 SUXQKYYLYYCKSG-RCCKNPSSSA-N 339.439 3.168 30 40 EGEB C#CCn1/c(=N/C(=O)Cc2ccccc2)sc2cccc(OC)c21 100910451 MRKCMGOOLGXRNS-VXPUYCOJSA-N 336.416 3.015 30 40 EGEB CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)Nc2cccc(C#N)c2)C1 56357627 VFNMBTBAVGEKGC-OAHLLOKOSA-N 344.415 3.079 30 40 EGEB N#Cc1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)sc2c1CCC2 2199518 UUKMHEOTQGGLHG-UHFFFAOYSA-N 327.365 3.198 30 40 EGEB COC(=O)c1ccc([C@H]2C3=C(CCCC3=O)Nc3onc(C)c32)cc1 12804480 UOPSCFTWGGBLTN-MRXNPFEDSA-N 338.363 3.334 30 40 EGEB CCCCCCCCCCCCN1C(=O)N[C@@H]2CS(=O)(=O)C[C@H]21 59568670 UWYUNUUSSXMTPS-HZPDHXFCSA-N 344.521 3.098 30 40 EGEB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1cccc(C#N)c1 11459548 BPEVJHLTNYNGBB-UHFFFAOYSA-N 344.374 3.182 30 40 EGEB COc1ccc(CN2C(=O)/C(=N\O)c3cc(Cl)ccc32)cc1OC 101101993 AEMZDRWFFKZDOU-MNDPQUGUSA-N 346.770 3.082 30 40 EGEB CCc1cccc(N2C[C@H](C(=O)Nc3cccc(C#N)c3)CC2=O)c1 13012607 HPYGMOLBZFSWLV-MRXNPFEDSA-N 333.391 3.112 30 40 EGEB Cc1cccc(C)c1NC(=O)c1sc2nc(N)c(C#N)cc2c1N 39335098 MVQDIABDLLJXTJ-UHFFFAOYSA-N 337.408 3.202 30 40 EGEB C=CCN1CCC(NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)CC1 65590290 FZZYPKQEQJTECR-GOSISDBHSA-N 331.435 3.323 30 40 EGEB N#C[C@@]1(NC(=O)c2csc(CCc3ccccc3)n2)CCSC1 71884659 OWRVFHCEYJJNRI-KRWDZBQOSA-N 343.477 3.057 30 40 EGEB N#Cc1cc2c(nc1N1CCC[C@@H](c3nncn3C3CC3)C1)CCCC2 91627799 FLRMEUJBKCLRBQ-OAHLLOKOSA-N 348.454 3.142 30 40 EGEB N#Cc1ccc(CN2CCN(C(=O)c3cccc4ccccc34)CC2)o1 95982678 PDKYQGNDDFMZDR-UHFFFAOYSA-N 345.402 3.262 30 40 EGEB CC(/C=N\Nc1cnnc(O)c1Br)=C\c1ccccc1 31858816 SJWVYZKCBRECIE-WOAIVXIPSA-N 333.189 3.446 30 40 EGEB CCOP(=O)(OCC)[C@H](C#N)c1c(F)c(F)nc(F)c1F 4548773 ACOYGSVKZHBDHA-ZCFIWIBFSA-N 326.186 3.469 30 40 EGEB C=C(CS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(Cl)cc1 1387669 BAVVAZIZAFFAHI-UHFFFAOYSA-N 335.812 3.309 30 40 EGEB CCOc1cc(/C=N/N=C/c2ccc(O)c(OCC)c2)ccc1O 1751188 PELLUKWQMGVZFR-AYKLPDECSA-N 328.368 3.348 30 40 EGEB N#Cc1ccc(-c2ccc(OCC(=O)NCC(F)(F)F)cc2)cc1 3343186 PNPBYMDOMZVOBG-UHFFFAOYSA-N 334.297 3.283 30 40 EGEB CC[C@H](/C(O)=N/S(=O)(=O)c1cccc(C#N)c1)c1ccccc1 48599890 DLTBCECURFPPCB-INIZCTEOSA-N 328.393 3.397 30 40 EGEB C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccccc1 2480759 PKJBKUQPSJNQML-INIZCTEOSA-N 342.420 3.066 30 40 EGEB COc1ccc(-c2nnc3ccc(Oc4ccc(C#N)cc4)nn23)cc1 9135203 DNCWQJAVMWANIY-UHFFFAOYSA-N 343.346 3.464 30 40 EGEB CC1CCN([C@H](CNC(=O)C#CC2CCC2)c2cccs2)CC1 96007086 ZPYOXXKWILJWEG-QGZVFWFLSA-N 330.497 3.441 30 40 EGEB Cc1ccc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)c(=O)[nH]1 65453528 PHPXAEFWJWJZPD-NSHDSACASA-N 327.409 3.187 30 40 EGEB Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(C#N)cc2)CC1 7724535 NQWLTHZTXXRCCS-UHFFFAOYSA-N 339.826 3.483 30 40 EGEB N#Cc1ccc(S(=O)(=O)/N=C(\O)CC2CCCC2)cc1Cl 71883892 UQPOMNACISVVAQ-UHFFFAOYSA-N 326.805 3.437 30 40 EGEB CCN(C[C@H](C)C#N)C(=O)Cc1cn2cc(Cl)cc(Cl)c2n1 69350869 MHTNJZUBYNAMHE-SNVBAGLBSA-N 339.226 3.192 30 40 EGEB CCCn1nccc1NC(=O)[C@H](C#N)c1nc2ccccc2s1 69813993 GCQLVAWPHHYPSL-NSHDSACASA-N 325.397 3.149 30 40 EGEB CSc1nnc(C)n1/N=C/c1ccc(COc2ccccc2)o1 8782494 CEDOXXCTPHNKAA-LICLKQGHSA-N 328.397 3.363 30 40 EGEB C#CCN1C(=O)S/C(=C/c2cc(Cl)c(O)c(OCC)c2)C1=O 408916334 CCHYXGXYBNJDDS-XYOKQWHBSA-N 337.784 3.114 30 40 EGEB C#CCOc1ccc(Cl)cc1/C=N\OCC(=O)Nc1ccccc1 409375492 LOJOMPUJOKISIR-NDENLUEZSA-N 342.782 3.341 30 40 EGEB COc1ccc([C@H]2[C@H](C#N)[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 218118408 BESUSWDQCYIADA-ULQDDVLXSA-N 347.823 3.428 30 40 EGEB N#Cc1cc(N)c(Cc2ccccc2)n1CC(=O)Nc1ccc(F)cc1 225860344 MFBNKHVKMYBBJI-UHFFFAOYSA-N 348.381 3.311 30 40 EGEB C=CCN(c1ccccc1F)S(=O)(=O)c1ccc(OC)c(F)c1 225105193 QYGBPCOHQAYTTA-UHFFFAOYSA-N 339.363 3.355 30 40 EGEB Cc1ccc(CC2CN(C(=O)NCCOc3ccc(C#N)cc3)C2)cc1 596412136 YDSHUWZVPDSKHQ-UHFFFAOYSA-N 349.434 3.130 30 40 EGEB COc1ccc(/C=C2\Oc3cc(OC)cc(OC)c3C2=O)c(OC)c1 580583973 NDNJPWWMDDDPBU-IDUWFGFVSA-N 342.347 3.337 30 40 EGEB Cc1ccc(S(=O)(=O)N/N=C/c2cccc(C(F)(F)F)c2)cc1 2772401 SYOQJHWPYJSXGO-VXLYETTFSA-N 342.342 3.326 30 40 EGEB Cc1nn([C@@H]2CCCCO2)c2ccc(B3OC(C)(C)C(C)(C)O3)cc12 504550463 KFVLOLQUESSGFL-KRWDZBQOSA-N 342.248 3.343 30 40 EGEB C=CCNC(=O)c1ccccc1NC(=O)c1ccc(-n2cccn2)cc1 21597994 SWVKKSONEYDUEM-UHFFFAOYSA-N 346.390 3.040 30 40 EGEB COc1nc(OC)c(C(C)C)c(C(=O)c2cc(C)cc(C#N)c2)n1 116312836 OETHKXHUIBAHDD-UHFFFAOYSA-N 325.368 3.028 30 40 EGEB C=CCn1c2c(c(=O)[nH]c1=S)CN([C@@H](C)c1ccccc1)CN2 20567348 SYGPPEAHRMCJLN-LBPRGKRZSA-N 328.441 3.038 30 40 EGEB COc1ccc(-c2cc3ccc(OCC#N)cc3oc2=O)c(OC)c1 4088373 GOXNRJGEYWJHKG-UHFFFAOYSA-N 337.331 3.380 30 40 EGEB biogenic C=C(C)CNC(=S)NC1CCN(c2nc3ccccc3s2)CC1 65710872 CVTUGACASDFVET-UHFFFAOYSA-N 346.525 3.305 30 40 EGEB C=CCNC(=O)C[C@H](C)CC(=O)Nc1cccc(Br)c1 4714978 UHSWIIGUADXLPI-NSHDSACASA-N 339.233 3.106 30 40 EGEB O=[N+]([O-])c1cccnc1N/N=C/c1cc(Cl)cc(Cl)c1O 409107366 REJLLTFISLGDIP-OMCISZLKSA-N 327.127 3.448 30 40 EGEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)CCc1ccccc1 6886383 XNPSICMFYMJVEC-UHFFFAOYSA-N 342.782 3.326 30 40 EGEB C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 69737997 MZPXWNGGGMQQAV-HOCLYGCPSA-N 341.411 3.381 30 40 EGEB C#CC[C@H](NC(=O)c1ccc(Cn2cccn2)cc1)c1ccccc1 89261537 AWQGMIDMSQJJOH-FQEVSTJZSA-N 329.403 3.426 30 40 EGEB CCCn1c(O)c(/N=N/c2ccc([N+](=O)[O-])cc2)c(C)c(C#N)c1=O 39870505 GEUQIFRKXINGDE-VHEBQXMUSA-N 341.327 3.468 30 40 EGEB C[C@@H](/C(O)=N/S(=O)(=O)c1ccc(Cl)cn1)c1cccs1 96416184 NHSNDUZTKHITCK-MRVPVSSYSA-N 330.818 3.245 30 40 EGEB COCCOc1ccc(C(=O)/C=C/c2ccc(C(=O)OC)cc2)cc1 44027691 XDEAQKLZCCRIDQ-LFYBBSHMSA-N 340.375 3.395 30 40 EGEB COc1cc(/C=N\OC(=O)Nc2ccccc2)cc(OC)c1OC 17312932 SIZWNUSUXLRKNQ-WQRHYEAKSA-N 330.340 3.295 30 40 EGEB N#CCSc1nnc(COc2ccc(C#N)cc2)n1-c1ccccc1 4959762 AEISTUORDXYZNQ-UHFFFAOYSA-N 347.403 3.334 30 40 EGEB COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1O 6639663 ATROOFPGXBEJDT-FPYGCLRLSA-N 329.308 3.214 30 40 EGEB O=C1C=C(Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2C1=O 104094626 CSZQKEKWJVXFBD-UHFFFAOYSA-N 328.711 3.467 30 40 EGEB Cc1cc(NC(=O)CCc2ncc(-c3ccccc3)o2)n(CCC#N)n1 58289400 QKRABJFAGTZLLO-UHFFFAOYSA-N 349.394 3.332 30 40 EGEB CCN(CC)C(=O)c1sc(NC(=O)c2ccncc2)c(C#N)c1C 2761323 IMXPAGWTOTXHLW-UHFFFAOYSA-N 342.424 3.058 30 40 EGEB CCOc1ccc(S(=O)(=O)/N=C(\O)[C@@H](C)CC)cc1OCC 48493967 DWHAVTBNYAUFFG-NSHDSACASA-N 329.418 3.175 30 40 EGEB N#CCC[C@H](C#N)CSc1ncnc2c1cnn2-c1ccccc1 14139805 HFUGRBQHNSMLBO-CYBMUJFWSA-N 334.408 3.351 30 40 EGEB N#C[C@@H](C(=O)NCc1cccnc1)c1nc(-c2ccccc2)cs1 89851273 FJFOYOOLDGALJO-HNNXBMFYSA-N 334.404 3.129 30 40 EGEB Cc1cc(CCC/C(O)=N/S(=O)(=O)c2cccnc2)c(C)s1 84692300 RXLPTXQORVYOMS-UHFFFAOYSA-N 338.454 3.428 30 40 EGEB CC(C)S(=O)(=O)/N=C(\O)[C@H](C)Oc1ccccc1C(F)(F)F 96403598 PYJHLEFPGQNLGX-VIFPVBQESA-N 339.335 3.167 30 40 EGEB N#C[C@H]1CCC[C@H]1NC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl 585121638 UVMJBNVVBKOANL-HZGVNTEJSA-N 346.145 3.463 30 40 EGEB C#CCCC1(CCC(=O)Nc2cc(Cl)c(F)c(C(=O)O)c2)N=N1 1616031589 OTUNSUOKQGUXNC-UHFFFAOYSA-N 337.738 3.472 30 40 EGEB Cc1c(C#N)c(NC(=O)CN(C)C2CC2)n(Cc2ccccc2)c1C 31655317 SDNBODMSGBAPBO-UHFFFAOYSA-N 336.439 3.058 30 40 EGEB C=CCCC(=O)N1CCCC[C@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 585113643 DFDAXEAXVWIOQJ-KGLIPLIRSA-N 346.393 3.135 30 40 EGEB Clc1ccc(N2CCN(/N=C/c3ccc4c(c3)OCO4)CC2)cc1 435662 OPNFKHMOTOXEBB-UDWIEESQSA-N 343.814 3.225 30 40 EGEB CCc1ccccc1NC(=O)[C@H]1CCCN1/C=C/C(=O)C(F)(F)F 4119680 NEDJFOBCPUYDIZ-CFRMROPGSA-N 340.345 3.297 30 40 EGEB Cc1ccccc1CN1C(=O)[C@@H](C)S/C1=N/N=C/c1ccco1 4955359 QTIPLPVJAAOVDO-TVGPBNQLSA-N 327.409 3.442 30 40 EGEB N#Cc1ccc(/C=C(/C(=O)C(=O)O)c2ccc3ccccc3n2)cc1 32642035 YOLMTLQXWPYPOO-LFIBNONCSA-N 328.327 3.301 30 40 EGEB C#CCN([C@@H]1CCc2ccccc21)S(=O)(=O)c1ccc(C)cc1 32934565 RCIWBFKCOWDNHD-LJQANCHMSA-N 325.433 3.306 30 40 EGEB N#C[C@@](CO)(Cc1ccc(OC(F)F)cc1)c1nc2ccccc2[nH]1 550207 NGTNZHVIXMUAJC-GOSISDBHSA-N 343.333 3.161 30 40 EGEB O/N=C1/[C@H]2CC[C@@H](C2)[C@@H]1N1CCC(O)(c2ccc(Cl)cc2)CC1 100965315 JJFZNGPATRNWJU-VLLKOGHUSA-N 334.847 3.252 30 40 EGEB C=CCSc1nnc(NC(=O)CCc2ccc3c(c2)OCO3)s1 10414521 BANPHLLOSOHGFL-UHFFFAOYSA-N 349.437 3.116 30 40 EGEB C=CCO[C@H](C)C(=O)N1CCC[C@@H]1c1nc(-c2ccccc2F)c[nH]1 72292900 NANOFHSEEWFBQJ-CXAGYDPISA-N 343.402 3.470 30 40 EGEB CCCCCCCCCCCCNC(=O)C(=O)NCCCOC 105517358 OMTISMWOYWPYEJ-UHFFFAOYSA-N 328.497 3.176 30 40 EGEB Cc1cc(C(=O)Nc2ccc(-n3ncc(C#N)c3N)cc2)c(C)s1 46073209 RIXCRXQITYSNOO-UHFFFAOYSA-N 337.408 3.257 30 40 EGEB C=CCOc1ccccc1C(=O)NCc1ccnc(-n2ccnc2C)c1 47287683 CTCZAYCARCRNPR-UHFFFAOYSA-N 348.406 3.071 30 40 EGEB N/C(=N\OC(=O)COc1ccc(Cl)cc1)c1ccc(Cl)cc1 4685096 ZASVILLVQJENIK-UHFFFAOYSA-N 339.178 3.236 30 40 EGEB C#CCSc1nc2sc3c(c2c(=O)n1CC=C)CC(C)(C)OC3 4785948 BODNXEUUHHKLBI-UHFFFAOYSA-N 346.477 3.221 30 40 EGEB CCC(=O)Nc1ccc(C(=O)COc2ccc(C#N)c(F)c2)cc1 66749171 UGFMNWLYKYHEOW-UHFFFAOYSA-N 326.327 3.308 30 40 EGEB CC(=O)C1=C(C)Oc2nc(C)[nH]c(=O)c2[C@@H]1c1ccccc1Cl 15082926 NKTCMUNZKWUXGS-CQSZACIVSA-N 330.771 3.119 30 40 EGEB Cc1cc(F)cc(C(=O)N(CC#N)Cc2ccccc2)c1[N+](=O)[O-] 96471894 JLCYKARYMNZBRT-UHFFFAOYSA-N 327.315 3.208 30 40 EGEB N#CCCN(Cc1cccnc1)Cc1cc(O)ccc1Br 97032526 TZFJLJDPZWOXES-UHFFFAOYSA-N 346.228 3.466 30 40 EGEB CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1N[C@@H](C)c1ccc(C#N)cc1 89948695 HHTKHIBGSMVULF-ZSZQSSIHSA-N 325.456 3.246 30 40 EGEB COC(=O)c1cccc(/N=C/c2ccc(N3CCOCC3)cc2)c1C 409119884 UFVRRIYTPHFDSE-KGENOOAVSA-N 338.407 3.369 30 40 EGEB N#CCCN(CC1CC1)C(=O)Cc1ccc(Br)s1 79310147 KHMUFMJRCIKZLO-UHFFFAOYSA-N 327.247 3.205 30 40 EGEB C[C@@H]1C[C@@H]1[C@@H](NS(=O)(=O)CCCC#N)c1ccc(Cl)cc1 195530991 FMHNQUUBOSAELJ-UGFHNGPFSA-N 326.849 3.260 30 40 EGEB COc1cc(C)c(NC(=O)[C@](C)(C#N)c2ccc(Cl)cc2)cn1 225961282 KMKUQKGZCYPIBE-QGZVFWFLSA-N 329.787 3.472 30 40 EGEB N#Cc1cccc(CN2CCC(N=c3[nH]c4ccccc4o3)CC2)c1 593515973 VHVYRUTZABUOML-UHFFFAOYSA-N 332.407 3.198 30 40 EGEB N#Cc1cccc([C@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)c1 11036647 ZSXDOUIRZXTJBJ-LPHOPBHVSA-N 333.391 3.304 30 40 EGEB N#Cc1cccc(-c2nc([C@H]3CC(=O)N(c4cccc(F)c4)C3)no2)c1 44213960 JKEFWHNRFAUVSU-AWEZNQCLSA-N 348.337 3.268 30 40 EGEB Cc1ccc(Sc2nc3c(C)cccn3c(=O)c2/C=N/O)cc1 55562 DPWSNNTYOGCJBQ-VCHYOVAHSA-N 325.393 3.271 30 40 EGEB CCC[C@@H](C)C1(CC)C(=O)NC(=Nc2ccc(Cl)cc2)NC1=O 333823 OVXVZMLCPGYBPM-LLVKDONJSA-N 335.835 3.406 30 40 EGEB CC(=O)Nc1ccc2nc(NC(=O)c3cccc(C#N)c3)sc2c1 22501626 MNZOGWGXLYMHAQ-UHFFFAOYSA-N 336.376 3.379 30 40 EGEB O=C(Cc1ccccc1F)NC1=C(Cl)C(=O)c2ccccc2C1=O 6561 XTWWGIRYIKFREK-UHFFFAOYSA-N 343.741 3.014 30 40 EGEB CN(Cc1ccc(Br)o1)C(=O)C1(C#N)CCCCC1 57431472 RJSWPAHQWJNACQ-UHFFFAOYSA-N 325.206 3.475 30 40 EGEB C[C@@H](NC(=O)c1ccc(C#N)cc1)c1nc(-c2ccc(F)cc2)no1 58282019 LBJCYQHIPZSOFI-LLVKDONJSA-N 336.326 3.238 30 40 EGEB Cc1nc2ccccc2nc1SCC(=O)N[C@](C)(C#N)C(C)C 29282025 GCGMRQRNIGJTAG-QGZVFWFLSA-N 328.441 3.085 30 40 EGEB CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)Nc1ccc(CC#N)cc1 65585717 JWKKZIIFQKFMJP-AWEZNQCLSA-N 347.440 3.001 30 40 EGEB COc1ccc(C(=O)c2cc(C#N)c(N)n3c2nc2ccccc23)cc1 6589175 CFUVKSZNMPMCHC-UHFFFAOYSA-N 342.358 3.181 30 40 EGEB Cc1cc([C@@H](C#N)C(=O)[C@@H](C)Oc2ccc(F)c(F)c2)nc(C)n1 68722481 JDGMCNZPNMMMIR-ZWNOBZJWSA-N 331.322 3.015 30 40 EGEB CC(C)c1nc([C@@H]2CCCN(c3c(C#N)nnc4ccccc34)C2)no1 72293763 FQMMERSXESWWMA-CYBMUJFWSA-N 348.410 3.392 30 40 EGEB CCCCSc1nc(N)c(C#N)c(COc2cccc(OC)c2)n1 223692317 KMLNEWVMIWDDCX-UHFFFAOYSA-N 344.440 3.410 30 40 EGEB Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2nccs2)cc1 5000370 GTNLNHJRDLAVBZ-UHFFFAOYSA-N 337.408 3.481 30 40 EGEB COC(=O)Cn1/c(=N\N=C\c2ccc(C)cc2)sc2ccccc21 1609869 OOFDZNIJQXUNBK-DSTXHIGZSA-N 339.420 3.119 30 40 EGEB O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1cccnc1 2567006 AWSTYYBNEHHQPS-UHFFFAOYSA-N 337.166 3.409 30 40 EGEB CC(C)(C)c1cn(C2C[C@@H]3CC[C@H](C2)N3c2ncccc2C#N)nn1 1888834067 YJIKVGQWGNSKQN-XYPWUTKMSA-N 336.443 3.215 30 40 EGEB Cc1nnc(NCc2c(C)nn(Cc3ccccc3)c2C)c(C#N)c1C 29429508 WNCOLDCFYBWNFY-UHFFFAOYSA-N 346.438 3.439 30 40 EGEB O=C(NC(OCCF)(C(F)(F)F)C(F)(F)F)c1ccccc1 3152493 DPVWPSOXYZCUMV-UHFFFAOYSA-N 333.203 3.223 30 40 EGEB N#Cc1ccccc1S[C@@H]1CCN(c2sccc2C#N)C1=O 83092431 JWVSDPZBHHTUSI-CQSZACIVSA-N 325.418 3.389 30 40 EGEB COc1ccc(OC)c(C[C@H](C#N)C(=O)Nc2ccc(F)cc2)c1 57524971 FQICCKVARLTAJT-CYBMUJFWSA-N 328.343 3.164 30 40 EGEB CCCCCCCN/C=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 1893236 DWGPNTMJUZGRCY-SSZFMOIBSA-N 343.427 3.022 30 40 EGEB Cc1onc2c(=O)n(Cc3ccc(C#N)cc3)nc(-c3ccccc3)c12 58402405 KPSFADUWBQYJIP-UHFFFAOYSA-N 342.358 3.280 30 40 EGEB Cc1cc(C(=O)COc2ccc(C#N)cc2)c(C)n1C[C@H]1CCCO1 2658568 CCIFKXOJXSWGTC-GOSISDBHSA-N 338.407 3.417 30 40 EGEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)[C@@H]3C[C@H]3C)c2)c1 12988656 MKIUZVRDWUZZCW-AUUYWEPGSA-N 333.387 3.468 30 40 EGEB Cc1cccc(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)n1 65592673 NRUHRRRTXVOPAD-UHFFFAOYSA-N 338.386 3.256 30 40 EGEB N#Cc1ccc(OCC(=O)Nc2nc3ccc(F)cc3s2)cc1 5559152 JEZKWNFCKZUFDJ-UHFFFAOYSA-N 327.340 3.325 30 40 EGEB CCN(CC)C(=O)c1ccc(NC=C2C(=O)CC(C)(C)CC2=O)cc1 14834757 CDWSSMLVPVAXLL-UHFFFAOYSA-N 342.439 3.423 30 40 EGEB C=CCN(Cc1nc(C)c(C)s1)S(=O)(=O)c1cccs1 84062541 YVOVPPGULQJBAM-UHFFFAOYSA-N 328.484 3.198 30 40 EGEB Cc1ccccc1CC(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 75180641 OAMHXDODSPXZER-UHFFFAOYSA-N 349.434 3.009 30 40 EGEB COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cccc2ccccc12 409138945 KHCHRZUDQRDRGT-QGZVFWFLSA-N 349.386 3.304 30 40 EGEB COc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])cc(Cl)c1OC 409101435 BTJDMNAZOITVKY-CAOOACKPSA-N 336.735 3.106 30 40 EGEB C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@H](C)n2cncn2)c1 79040473 DEZPXDPPFBIXAL-INIZCTEOSA-N 330.391 3.054 30 40 EGEB C=CCN1C(=O)CCC[C@]12CCCN(C(=O)c1sccc1C)C2 96229910 NKKCOMPZQYHDQJ-GOSISDBHSA-N 332.469 3.230 30 40 EGEB Cc1ccc(C)c(S(=O)(=O)N/N=C2\C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)c1 585145825 RZZUHTPVWLUVKO-QVZBIUOSSA-N 332.469 3.394 30 40 EGEB CN(CC#CCNC(=O)Nc1ccccc1F)Cc1ccccc1 85470654 UHXIFBCQNCNNBP-UHFFFAOYSA-N 325.387 3.083 30 40 EGEB Cc1cc(C#N)nc(N2CC(Cc3ccccc3Br)C2)n1 585123391 XFFKTYQYUUGDNN-UHFFFAOYSA-N 343.228 3.098 30 40 EGEB Cc1cc(C#N)nc(N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)n1 588008935 JRGSHSSOBYGTFY-NSHDSACASA-N 331.782 3.140 30 40 EGEB N#Cc1ccc(CCC(=O)NCc2nccnc2-c2cccs2)cc1 826779452 IWPSUCNBUBBADH-UHFFFAOYSA-N 348.431 3.326 30 40 EGEB COc1c2c(cc3c1[C@H](CC(=O)C=C(C)C)[N+](C)(C)CC3)OCO2 526448 RCGNQIQZSCIAIH-HNNXBMFYSA-N 332.420 3.023 30 40 EGEB biogenic COc1ccc(OC)c(C(=O)N[C@@](C)(C#N)CCc2ccccc2)c1 79352592 AJVZJPSXFDHGAP-HXUWFJFHSA-N 338.407 3.349 30 40 EGEB O=C(/C=C/c1cnc(N2CCCC2)nc1)c1cnn(-c2ccccc2)c1 58367943 CMEVGVOPPODXAR-CMDGGOBGSA-N 345.406 3.159 30 40 EGEB N#Cc1cc(NC(=O)[C@H]2CC(=O)Nc3ccccc32)ccc1Cl 58530939 WSXOGMKBRBKZJE-ZDUSSCGKSA-N 325.755 3.276 30 40 EGEB CCOC(=O)COc1ccccc1C=C1C(=O)c2ccccc2C1=O 2748650 ALWINLBPXSBLOL-UHFFFAOYSA-N 336.343 3.091 30 40 EGEB Cc1nc(C(=O)O[C@@H](C)COc2cccc(C#N)c2)c2n1CCCC2 95416858 UXZTVIIUMISEFG-ZDUSSCGKSA-N 339.395 3.024 30 40 EGEB Cc1ccc(NC(=S)N/N=C/c2ccccc2C(=O)O)c(C)c1 13337919 RQXZZQAAWGIDQD-VCHYOVAHSA-N 327.409 3.322 30 40 EGEB N#Cc1cc(F)ccc1NC(=O)N(C[C@@H](O)c1ccccc1)C1CC1 83577107 MWUGONOKMFZACW-GOSISDBHSA-N 339.370 3.427 30 40 EGEB C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1Cl)CC(=O)N2 4944218 CDFMTQYAQKEHOT-SNVBAGLBSA-N 347.827 3.176 30 40 EGEB COc1cc(Cl)cc2c1OCC(=O)N(c1ccc(C#N)cc1)C2 67323869 AHUIFPYHTFZVEO-UHFFFAOYSA-N 328.755 3.146 30 40 EGEB CC(=O)Nc1cc(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)ccc1F 72032113 KCWPZUCDNAILKK-LBPRGKRZSA-N 336.326 3.150 30 40 EGEB N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CCCO3)cc2F)c1 69702932 CQHDZZMLXZWRBA-SFHVURJKSA-N 340.354 3.394 30 40 EGEB C#CCN(C[C@H]1CCCO1)C(=O)N[C@H]1CCSc2ccc(C)cc21 72270268 KZSOAPJFRYRWDG-WBVHZDCISA-N 344.480 3.356 30 40 EGEB CCOc1cn(-c2ccccc2)nc1C(=O)Nc1sccc1C#N 75582667 VQBFQFKHCFMHKU-UHFFFAOYSA-N 338.392 3.456 30 40 EGEB CCc1ccccc1N=C[C@@H]1C(=O)NC(=O)N(c2cccc(C)c2)C1=O 408536525 RSUWBGFDMDXOHL-MRXNPFEDSA-N 349.390 3.159 30 40 EGEB COc1cc(Cl)c(/C=N/Nc2ncccc2[N+](=O)[O-])cc1OC 409109041 WYSCDMRPBOXHQY-CAOOACKPSA-N 336.735 3.106 30 40 EGEB C#CCOc1c(Br)cc(Br)cc1/C=N/O 409042096 BIZUKUKNPCYPDO-AWNIVKPZSA-N 332.979 3.032 30 40 EGEB COc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 31719684 BKTYVPCKKUIMQV-YVLHZVERSA-N 331.328 3.067 30 40 EGEB C#CCN1N=C(c2ccc(OC)cc2)Cn2c(cc3sccc32)C1=O 72334558 JZRGCTRCSNLWPA-UHFFFAOYSA-N 349.415 3.205 30 40 EGEB COc1ccc([C@@H]2[C@@H](C#N)[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1 218106599 OXOYUCWPLXEMDI-KURKYZTESA-N 327.405 3.083 30 40 EGEB COCCn1nc(C)c(CNc2cc(C#N)nc3ccccc23)c1C 96429262 GDKAZNRLUAPECQ-UHFFFAOYSA-N 335.411 3.178 30 40 EGEB CCC[C@@H](C#N)NC(=O)c1csc(=Nc2cc(F)cc(F)c2)[nH]1 597042615 VWLVQXCHWVTERO-NSHDSACASA-N 336.367 3.009 30 40 EGEB N#C[C@@H](CCc1ccccc1)C(=O)NCc1ccc2c(n1)CCCC2 1634182978 FTILSIHPEGUYAO-GOSISDBHSA-N 333.435 3.349 30 40 EGEB COc1cc(C#N)ccc1OCC(=O)N(C1CC1)[C@H](C)c1ccco1 58283715 FUMAHFQRFMQTSP-CYBMUJFWSA-N 340.379 3.291 30 40 EGEB Cc1cc(C)n(C[C@H](C)CNC(=O)c2ccccc2SCC#N)n1 48273109 BHFDEUIILFZPJZ-CYBMUJFWSA-N 342.468 3.182 30 40 EGEB O=C(CO/N=C/c1ccc(OC(F)F)cc1)NCc1cccs1 3333285 SRUWJFRXRPNHGE-UFWORHAWSA-N 340.351 3.016 30 40 EGEB C[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2[C@@H](O)C[C@@]3(C)[C@@H](CC[C@@]3(C)O)[C@@H]21 118935720 SUKMOMANEUHOTO-OGGNEYKKSA-N 332.484 3.486 30 40 EGEB C=CCOc1ccc(CN(C)CC(=O)Nc2ccc(C#N)cc2)cc1 3400447 KZKPUIXXTPJSLE-UHFFFAOYSA-N 335.407 3.194 30 40 EGEB Cc1cc(/C=N/N2C(=O)NC3(CCCCC3)C2=O)c(C)n1CC(C)C 3527528 SIGVNBSAEXUTOH-RGVLZGJSSA-N 344.459 3.350 30 40 EGEB O=C(O)c1ccc(CN2C(=O)CS/C2=N\c2ccccc2)cc1 66343613 RZYGKKUFALNSOZ-ZCXUNETKSA-N 326.377 3.148 30 40 EGEB N#Cc1ncn(-c2ncnc3cc(-c4ccc(Cl)cc4)sc23)n1 14272347 IEVOREVSYATYPE-UHFFFAOYSA-N 338.783 3.464 30 40 EGEB C=CCN(C(=O)C[C@H]1Sc2ccccc2NC1=O)C1CCCC1 69414887 GRLKKEOIAYMGIJ-MRXNPFEDSA-N 330.453 3.447 30 40 EGEB N#C[C@@H](C(=O)c1ccc(Cn2cc(Cl)cn2)o1)c1ccccn1 72283222 IXOPBGOQHCKVHW-CYBMUJFWSA-N 326.743 3.063 30 40 EGEB Cc1c(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)c2ccccc2n1C 409178386 HAZKJHZBYYHBGL-OTIOQCEHSA-N 347.418 3.018 30 40 EGEB CCn1cccc1/C=C1/SC(=Nc2ccc(OC)cc2)NC1=O 408964492 HFSVKXIHTABGKD-RVDMUPIBSA-N 327.409 3.408 30 40 EGEB CC1=C/C(=N\OS(=O)(=O)c2ccc(C)cc2)C(C(C)C)=CC1=O 16807731 AVPOYHHAAUBXSV-FBMGVBCBSA-N 333.409 3.168 30 40 EGEB CCN=C1S[C@@H](CC(=O)Nc2ccc(Cl)cc2)C(=O)N1CC 2032946156 LDWJLKZUBFBIGU-LBPRGKRZSA-N 339.848 3.008 30 40 EGEB COc1cc(/C=C/C(=O)CC(=O)/C=C\c2ccc(O)cc2)ccc1O 31430201 HJTVQHVGMGKONQ-DHPVUTNOSA-N 338.359 3.361 30 40 EGEB Cc1ccc(-c2nc(C(=O)[C@@H](C#N)C(=O)NC(C)C)cs2)c(C)c1 103707945 QJIXBJJAKGXBQX-CQSZACIVSA-N 341.436 3.274 30 40 EGEB CCCC(=O)N1CCC(C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 78797045 ZLCMLDKLXJRHAW-UHFFFAOYSA-N 344.459 3.092 30 40 EGEB C[C@H](OC(=O)Cc1ccc(Cl)cc1)C(=O)Nc1cccc(C#N)c1 7482167 FWIVYWLZRJYKEA-LBPRGKRZSA-N 342.782 3.325 30 40 EGEB N#C[C@@H]1CSCCN1C(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 108162747 UJWKHXKGJJZQCC-RTXFEEFZSA-N 340.370 3.276 30 40 EGEB N#Cc1cccc(C(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)c1 58282759 QOYYRVSRFSLWTN-CQSZACIVSA-N 341.361 3.093 30 40 EGEB N#Cc1ccc(CCC(=O)NCCOc2cccc(Cl)c2)cc1 36394884 QNEAAXHBARLSPI-UHFFFAOYSA-N 328.799 3.339 30 40 EGEB CC(C)[C@](C)(C#N)NC(=O)CSc1nc2cc(Cl)ccc2[nH]1 12540162 CLAKNVSMSUXIRC-HNNXBMFYSA-N 336.848 3.363 30 40 EGEB N#Cc1ccccc1OCCn1cc(C(F)(F)F)cc(Cl)c1=O 47368590 UQDWWYYQEKBRCT-UHFFFAOYSA-N 342.704 3.471 30 40 EGEB C#CCOc1cc([C@H]2CC(O)=Nc3nc(NC)sc32)ccc1OC 61718105 QGHJFLRTBAMATE-LLVKDONJSA-N 343.408 3.329 30 40 EGEB C=CCNC(=O)CSc1nnc(Nc2ccccc2Cl)s1 14112003 WICKVZABWBEFTP-UHFFFAOYSA-N 340.861 3.329 30 40 EGEB C=CCc1ccc(OCC(=O)NCc2ccccc2OC)c(OC)c1 9387390 UZYABWURPSNHMV-UHFFFAOYSA-N 341.407 3.128 30 40 EGEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OC/C=C/c1ccccc1 7674087 PXIXMWROIVBCBU-RMKNXTFCSA-N 336.391 3.053 30 40 EGEB Cc1ccc(N2C(=O)C[C@H](C(=O)OCC#N)[C@H]2c2cccs2)cc1 9539376 XWEUNSPWSBDCPE-YOEHRIQHSA-N 340.404 3.218 30 40 EGEB COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cnccn2)cc1 69377164 YNFKGNABHNEFPM-UHFFFAOYSA-N 346.346 3.401 30 40 EGEB N#C[C@@H]1CCCC[C@H]1OC(=O)c1ccc(Cn2cc(Cl)cn2)o1 71905070 NOTABXJACCDBJM-SMDDNHRTSA-N 333.775 3.417 30 40 EGEB Cc1nc(-c2cccc(C(=O)N[C@]3(C#N)CCSC3)c2)cs1 72302835 GSPJODGQTUJKIU-INIZCTEOSA-N 329.450 3.248 30 40 EGEB CC(C)(C#N)c1ccccc1CN1CCC(N2CCCC2=O)CC1 95425734 BILYIOVXKNXVPY-UHFFFAOYSA-N 325.456 3.075 30 40 EGEB C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@]2(C)[C@@H]1C/C=C1/C=COC1=O 225937180 YIIRVUDGRKEWBV-LDHNQTPXSA-N 332.440 3.115 30 40 EGEB Cc1cc(C)n(-c2ccc(/C(N)=N/OC/C=C/c3ccccc3)cn2)n1 63864075 AIGDMTGQYLRLOP-RMKNXTFCSA-N 347.422 3.234 30 40 EGEB COc1cc(F)ccc1NCC(=O)N(CCC#N)c1ccccc1F 95414049 QAMXJOCUCNPJRM-UHFFFAOYSA-N 345.349 3.332 30 40 EGEB C#CCn1/c(=N/C(=O)c2cccc(OC)c2)sc2cccc(C)c21 100909902 FNMNLDDYPLIGPI-VXPUYCOJSA-N 336.416 3.394 30 40 EGEB CC(C)(C)c1cnc(CN2CCN(c3cccc(F)c3C#N)CC2)o1 42133584 MASBVWXNBBGBGB-UHFFFAOYSA-N 342.418 3.305 30 40 EGEB C=CCc1cc(OC)ccc1OC[C@H](O)CN(C)C1CCCCC1 6001530 FNLNXWNQBHTRON-GOSISDBHSA-N 333.472 3.428 30 40 EGEB CC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 6363641 PSBKHHYXUCSULZ-INIZCTEOSA-N 341.323 3.072 30 40 EGEB C=CCN(Cc1cccs1)CN1C(=O)NC2(CCCCCC2)C1=O 14189249 HAXWYDUPTQWCKK-UHFFFAOYSA-N 347.484 3.338 30 40 EGEB C=CCNC(=S)N/N=C/c1cccc(OCc2ccccc2)c1 4510727 CLIZWXRTCNAQMR-DEDYPNTBSA-N 325.437 3.250 30 40 EGEB COc1ccc(C(=O)C2=C(O)C(=O)N[C@H]2c2ccc(Cl)cc2)cc1 16971883 XILJOPTZYIHMRD-HNNXBMFYSA-N 343.766 3.215 30 40 EGEB CCCS(=O)(=O)/N=C(\O)c1conc1-c1ccc(Cl)cc1 95405004 KLIFBIGGHKUCEJ-UHFFFAOYSA-N 328.777 3.039 30 40 EGEB C/C(=N\NS(=O)(=O)c1ccc(Cl)cc1)[C@@H]1C[C@H]2CC[C@@H]1C2 5094701 GBFCWQABIOVAIP-KCLQIIJJSA-N 326.849 3.430 30 40 EGEB COc1cccc(/C=N/CCNc2ccc([N+](=O)[O-])cc2Cl)c1O 16228126 PPOLSHJQOHOICA-VCHYOVAHSA-N 349.774 3.493 30 40 EGEB C=CCN1CCC[C@]12CCCN(C(=O)Cc1noc3ccccc13)C2 1614938292 YSTMAHHOQOONCH-FQEVSTJZSA-N 339.439 3.013 30 40 EGEB C=CCOc1ccc([C@@H]2CC(=O)N(N(C)C)C3=C2C(=O)CCC3)cc1 4593330 RXVRJLQMHJLNCB-INIZCTEOSA-N 340.423 3.051 30 40 EGEB CCOc1ncccc1CNC(=O)Nc1ccc(C#N)c(Cl)c1 40103383 WFYYMQYYZJYONH-UHFFFAOYSA-N 330.775 3.327 30 40 EGEB CC(C)CCNC(=O)C1CCN(c2snc(Cl)c2C#N)CC1 52433949 BUYAENLTRZREMC-UHFFFAOYSA-N 340.880 3.047 30 40 EGEB N#Cc1cc(-c2ccccc2)nc(N2CCN(c3ccccc3)CC2)n1 509747 CWJTZDROHVYLNO-UHFFFAOYSA-N 341.418 3.342 30 40 EGEB Cc1ocnc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 105757935 ZPBVCIPWBXFHGE-SECBINFHSA-N 338.150 3.251 30 40 EGEB Cc1ccc(N(CCC#N)C(=O)COC(=O)c2ccc(C)s2)cc1 3384485 ZDFCZHOZLTZZGR-UHFFFAOYSA-N 342.420 3.469 30 40 EGEB C=CCNC(=O)COc1ccc(C(C)(C)C)cc1Br 2179572 VCEKEHFMERWIGC-UHFFFAOYSA-N 326.234 3.428 30 40 EGEB CN1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)c2ccccc21 72631293 MAXLGBQPZMRLGS-UHFFFAOYSA-N 331.379 3.065 30 40 EGEB CCN(Cc1ccc2c(c1)OCO2)C(=O)NCc1cccc(C#N)c1 46040833 ZFWOVWWWRNNOLZ-UHFFFAOYSA-N 337.379 3.019 30 40 EGEB N#Cc1c(N)sc2c1CCN(c1ccc(Cl)cc1[N+](=O)[O-])C2 12595106 MHDJOILRAOBHRM-UHFFFAOYSA-N 334.788 3.326 30 40 EGEB Cc1cc(/C=N/N2CCN(C)CC2)c(C)n1-c1ccc(Cl)cc1 3291984 FSKOZAKNLVZSJY-DEDYPNTBSA-N 330.863 3.329 30 40 EGEB N#CC1(NC(=O)CN2CCC[C@@H]2c2ccc(O)cc2)CCCCCC1 65487940 DOTSKNXVTKYYHO-GOSISDBHSA-N 341.455 3.262 30 40 EGEB COc1ccccc1/N=C1\NN=C(c2ccc([N+](=O)[O-])cc2)CS1 9469773 INTQGTYRTFCZNE-UHFFFAOYSA-N 342.380 3.332 30 40 EGEB N#CC1(C(=O)Nc2cccn(Cc3ccccc3)c2=O)CCCCC1 84544778 DALCOFCVVAYJAZ-UHFFFAOYSA-N 335.407 3.309 30 40 EGEB N#C[C@@H](NC(=O)C[C@](O)(c1ccccc1)C1CC1)c1ccccc1F 95442810 CPANQALHQYNYCW-QUCCMNQESA-N 338.382 3.194 30 40 EGEB CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC#N 408543908 QORYORCZRHSVFA-FNORWQNLSA-N 329.312 3.363 30 40 EGEB N#Cc1ccc(C(=O)Nc2cccc(COC[C@H]3CCCCO3)c2)[nH]1 95433565 FOEGPEVBBFXSKJ-QGZVFWFLSA-N 339.395 3.224 30 40 EGEB C=C(C)CN(Cc1ccccc1)C(=O)[C@H]1CCCN(C(=O)C2CC2)C1 279421774 KSCMORNXVZMETH-IBGZPJMESA-N 340.467 3.240 30 40 EGEB N#C[C@H](C(=O)[C@H]1CC(c2cccc(F)c2)=NO1)c1nc2ccccc2[nH]1 48813586 PHNGRQBCPQHXRA-CXAGYDPISA-N 348.337 3.071 30 40 EGEB C[C@@H](CNC(=O)N(C)Cc1ccc(C#N)cc1)Oc1ccccc1F 75316363 NBJIHEYQTWLOIV-AWEZNQCLSA-N 341.386 3.306 30 40 EGEB CC/N=C1\S/C(=C\c2cc3c(cc2Cl)OCO3)C(=O)N1CC 5705706 LHANVZLMGICYAJ-PKBFHESTSA-N 338.816 3.381 30 40 EGEB C(=N\Nc1nnc2c(n1)[nH]c1ccccc12)\c1c[nH]c2ccccc12 13424303 LEUUBGIPOWMTLJ-JMIUGGIZSA-N 327.351 3.433 30 40 EGEB CC(=O)c1ccccc1NCC(=O)Nc1ccc(C#N)c(Cl)c1 3412506 VNDOENIKXHBOCJ-UHFFFAOYSA-N 327.771 3.465 30 40 EGEB Cc1ccc([C@@H](CNc2cccc(F)c2C#N)N2CCOCC2)o1 40018062 FFPZRXHPLIGPDR-QGZVFWFLSA-N 329.375 3.084 30 40 EGEB COc1ccc(C(=O)/C=C/c2csnn2)cc1Br 40549508 YCUXTBIQWIAAAY-ONEGZZNKSA-N 325.187 3.205 30 40 EGEB CN(CCOc1cccc(Cl)c1)C(=O)NCC#Cc1ccccc1 32802869 IWSMDYOOWGNPMC-UHFFFAOYSA-N 342.826 3.412 30 40 EGEB CCOc1cc(/C=N/c2nnc[nH]2)ccc1OCc1ccccc1C#N 459635 DRXRBOJEDFFAGM-SRZZPIQSSA-N 347.378 3.405 30 40 EGEB Cc1nn(C)c(C)c1[C@@H]1OCC[C@@H]1CN[C@@H](C)c1ccc(C#N)cc1 78890500 ABZULFQDNCVWBW-CYFNAFFESA-N 338.455 3.337 30 40 EGEB C=C(C)CN1C(=O)[C@](O)(CC(=O)c2ccc(F)cc2)c2ccccc21 4556468 DFKGKMIKXMIVMM-FQEVSTJZSA-N 339.366 3.209 30 40 EGEB COc1cc(OC)cc(C(=O)O/N=C(\N)Cc2ccc(Cl)cc2)c1 4526044 AHYGMFQTVDPEAA-UHFFFAOYSA-N 348.786 3.029 30 40 EGEB Cc1oc(C)c(C(=O)O[C@H](C)C(=O)Nc2sccc2C#N)c1C 8420993 SDRPFXBLFXZHRP-LLVKDONJSA-N 332.381 3.322 30 40 EGEB N#C[C@@H](NC(=O)CC[C@H]1Cc2ccccc2NC1=O)c1ccsc1 69629065 APGVLULAPBLNMB-XJKSGUPXSA-N 339.420 3.020 30 40 EGEB CCN(C(=O)Nc1cccc(C#N)c1)[C@H]1CCN(c2ccccc2)C1=O 72289076 AOLCPYLKZUNBAS-SFHVURJKSA-N 348.406 3.218 30 40 EGEB CC[C@@H](C(=O)NCC#CCN(C)Cc1ccccc1)c1ccccc1 75165141 LIHSLFSHRUUICJ-OAQYLSRUSA-N 334.463 3.432 30 40 EGEB COc1ccc(/C=N/N2CCOCC2)cc1CSc1ccccn1 500222 AWXYKOZMAZITJB-DEDYPNTBSA-N 343.452 3.049 30 40 EGEB CCCOc1ccc(-c2nc(C#N)c(N3CCN(CC)CC3)o2)cc1 2422666 XTWUFIGSHOSSSS-UHFFFAOYSA-N 340.427 3.144 30 40 EGEB O=C1CCCC2=C1[C@H](c1cccc(Cl)c1Cl)n1nnnc1N2 12348357 UBLDGODFFNTQKA-ZDUSSCGKSA-N 336.182 3.002 30 40 EGEB CCN(CC)C(=O)C(=O)c1cccn1-c1cccc(Cl)c1C#N 4054736 LBYNJRGARBEMSU-UHFFFAOYSA-N 329.787 3.053 30 40 EGEB C=CCn1c(C)nnc1S[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1 6909161 HZNJDGQEPSAEKC-LBPRGKRZSA-N 344.440 3.094 30 40 EGEB COc1cc(Cl)ccc1CNC(=O)NCC#Cc1ccccc1 83923364 UJGKCGNRASRHSQ-UHFFFAOYSA-N 328.799 3.200 30 40 EGEB N#C[C@@H](NC(=O)c1cc2ccccc2c(=O)[nH]1)c1cccc(Cl)c1 69776540 ILSLJZYZOBTACJ-MRXNPFEDSA-N 337.766 3.176 30 40 EGEB O=C1CCCC2=C1[C@@H](c1ccccc1C(F)(F)F)n1ncnc1N2 18195925 OSMSOPRNZXMHBC-CQSZACIVSA-N 334.301 3.319 30 40 EGEB C#CCOc1ccc(/C=C2/SC(=O)N(CC)C2=O)cc1OCC 409075264 QHFKLPXYXFEGBB-RVDMUPIBSA-N 331.393 3.154 30 40 EGEB N#Cc1c[nH]c(C(=O)NC[C@@H](O)c2ccc(-c3ccccc3)cc2)c1 185584733 PYUCTMPWIYMSDO-LJQANCHMSA-N 331.375 3.017 30 40 EGEB N#CCCN(Cc1ccc(C#N)cc1Br)C[C@@H]1CCOC1 96496403 GHDQRAGBWKDKGQ-AWEZNQCLSA-N 348.244 3.073 30 40 EGEB N#Cc1nc(NC[C@@H](O)c2ccc(OC(F)F)cc2)ccc1Cl 96409547 XGDOGMHXMLXDAT-CYBMUJFWSA-N 339.729 3.354 30 40 EGEB CC(C)c1nc(N/N=C/c2ccc([N+](=O)[O-])cc2)cc(N(C)C)n1 5849700 NTXIUZYARMUOGX-LICLKQGHSA-N 328.376 3.020 30 40 EGEB N#Cc1cc(N2CCC[C@@H]3C[C@@H]32)cc(N2CCC[C@H]3C[C@H]32)c1[N+](=O)[O-] 588066545 RIVVVJXJTNKDDO-OSRSDYAFSA-N 338.411 3.444 30 40 EGEB C=C1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(Br)s1 660066605 DINXEKLLKXKNRW-AOOOYVTPSA-N 348.287 3.382 30 40 EGEB O=S(=O)(c1ccccc1)N(C[C@@H]1CO1)c1cccc2ccccc12 380655 VAUAWMARBANNGG-MRXNPFEDSA-N 339.416 3.434 30 40 EGEB N#Cc1ccc(CNC(=O)N2CCC[C@@H]2C[C@H](O)c2ccccc2)cc1 78951731 TYMZPVCWAYYHJV-UXHICEINSA-N 349.434 3.356 30 40 EGEB N#CCCCCSc1nnnn1-c1ccc(OC(F)(F)F)cc1 8232861 ZYZDRRSAEPGTQP-UHFFFAOYSA-N 343.334 3.347 30 40 EGEB CCOC(=O)c1sc(NC(=O)c2cccc(OC)c2)c(C#N)c1C 1964997 LSYDGCZSEXPGNO-UHFFFAOYSA-N 344.392 3.366 30 40 EGEB COc1ccc(/C=[N+](/C)CCc2ccc(OC)c(OC)c2)cc1OC 104157790 NXFRNNFRPBFYBE-STZFKDTASA-N 344.431 3.025 30 40 EGEB C(=N/n1cnnc1)\c1cn(CCOc2ccccc2)c2ccccc12 58822531 MKFINISTONIWCF-WSDLNYQXSA-N 331.379 3.194 30 40 EGEB COC(=O)COc1ccc(/C=N/NCc2ccc(Cl)cc2)cc1 10118714 PKSPNBQYZGGFOH-RGVLZGJSSA-N 332.787 3.016 30 40 EGEB O=S(=O)(N/N=C/c1ccc(C(F)(F)F)cc1)c1ccccc1 3343914 FXZRRTFRYMBNPK-VCHYOVAHSA-N 328.315 3.018 30 40 EGEB CC(C)[C@](C)(C#N)NC(=O)COc1ccc(Br)cc1F 7200603 RAFOSUXEPDLULJ-AWEZNQCLSA-N 343.196 3.021 30 40 EGEB COC(=O)c1ccccc1/N=C\c1ccc(O[C@H](C)C(=O)O)cc1 408808345 FPQVWOOPTAOKSE-ZDFPAGSVSA-N 327.336 3.076 30 40 EGEB N#CC1(C(=O)NCc2cccc(COC3CCOCC3)c2)CCCC1 71894461 BCHFGFMHLMTQOW-UHFFFAOYSA-N 342.439 3.082 30 40 EGEB C[C@@H]1CCC[C@@H](CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 75104572 OSYBMRCHZIRSOK-OAGGEKHMSA-N 349.475 3.174 30 40 EGEB COc1ccc(C/N=C\c2ccc(O[C@H](C)C(=O)O)c(OC)c2)cc1 409014567 QEVWERORCPOSAY-UAAGNOOKSA-N 343.379 3.175 30 40 EGEB C=CCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccccc1 22614220 UQZYOTRKWBMWIP-SFHVURJKSA-N 338.407 3.399 30 40 EGEB N#Cc1cccc(CN2CCO[C@@]3(CCCC[C@@H]3N3CCCC3)C2)c1 306143170 XUYPUQCZOKZNEQ-SFTDATJTSA-N 339.483 3.168 30 40 EGEB CCCCCCCCCc1c(O)nc(SCCN(C)C)[nH]c1=O 97994912 FECOLGWMBGIUKH-UHFFFAOYSA-N 341.521 3.422 30 40 EGEB O=C(NCC#Cc1ccccc1)N[C@H]1CCOC2(CCCCC2)C1 95426866 WROLYNRXHSDHNR-SFHVURJKSA-N 326.440 3.219 30 40 EGEB Cc1c(C#N)cccc1NC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)O)C1(C)C 593955847 DAYVMWDUJKUMFO-KWCYVHTRSA-N 329.400 3.124 30 40 EGEB Cc1ccc(NC(=S)N/N=C/c2ccc(C(=O)O)cc2)c(C)c1 6330939 LVIAHJZJVSWACZ-VCHYOVAHSA-N 327.409 3.322 30 40 EGEB Cc1cc(C)c(OCC(=O)Nc2ccccc2C#N)c([N+](=O)[O-])c1 513762 XLMQVLZRRBEHKS-UHFFFAOYSA-N 325.324 3.101 30 40 EGEB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=N\Nc1cccc(C)c1 101493741 OSJGSSMKRZDKCE-MNDPQUGUSA-N 337.339 3.094 30 40 EGEB S=C(NCc1ccccc1)N/N=C/c1ccccc1Br 550980 RPKKZWDGERJUHI-WOJGMQOQSA-N 348.269 3.447 30 40 EGEB C=CCN(CC(=O)N1CCc2ccccc21)Cc1ccc(OC)cc1 54272034 UBVBXBMCOHGIFK-UHFFFAOYSA-N 336.435 3.273 30 40 EGEB C[C@@H](Nc1ccc(Cl)cc1C#N)c1cccc(S(N)(=O)=O)c1 79016508 UTQXMDHUFXPXBA-SNVBAGLBSA-N 335.816 3.032 30 40 EGEB Cc1c(CNC[C@@H](c2cccs2)N2CCCC2)cc(C#N)n1C 48234793 CYNHNLOBOZGSNT-KRWDZBQOSA-N 328.485 3.193 30 40 EGEB N#Cc1ccc(CC(=O)N2CC3(CCOCC3)c3ccccc32)cc1 189848284 SGDCCNVFMXMJOL-UHFFFAOYSA-N 332.403 3.196 30 40 EGEB COc1cccc(/C=N/n2cnnc2)c1OCc1ccc(Cl)cc1 41223870 YPFHGUIUZXRCSO-ZVBGSRNCSA-N 342.786 3.401 30 40 EGEB Cc1csc([C@@H](C)CNC(=O)NCc2ccc(C#N)cc2F)n1 96502710 WDTRYWWOCLFKRJ-JTQLQIEISA-N 332.404 3.065 30 40 EGEB C[C@@H](C=C1CCN(C(=O)OCc2ccccc2)CC1)[C@@H](C)C(=O)NO 257247160 IXSRXDKUAIYCID-LSDHHAIUSA-N 346.427 3.123 30 40 EGEB N#C[C@@H]1CCCC[C@@H]1Nc1ncc([N+](=O)[O-])cc1Br 585098800 CGGLWYNNHPSUGC-KWQFWETISA-N 325.166 3.247 30 40 EGEB C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@@H](c2ccc(OC)cc2)C1 281912394 YFQDIOSPNKRXGK-SCTDSRPQSA-N 344.455 3.175 30 40 EGEB N#C[C@@H](C(=O)NC1CCCCC1)C(=O)c1ccn(Cc2ccccc2)c1 390833220 DVRUWMRZEABMIR-LJQANCHMSA-N 349.434 3.308 30 40 EGEB FC(F)(F)c1ccccc1/C=N\N1CCN(c2ccccn2)CC1 12375473 LHCBEAIBSLDLTG-XKZIYDEJSA-N 334.345 3.257 30 40 EGEB C/C(=N\S(=O)(=O)c1ccc(Br)cc1)OCC(C)C 18101462 SWDIBHKFQJBKIG-GXDHUFHOSA-N 334.235 3.229 30 40 EGEB Cc1[nH]c2ccc(C(=O)OCC(=O)Nc3cccc(C#N)c3)cc2c1C 6083503 IVLOHWQGZSAKPW-UHFFFAOYSA-N 347.374 3.452 30 40 EGEB N#C[C@H](C(=O)CCc1cccc(Cl)c1)C(=O)Nc1ccccn1 103717486 UWHVAPFZTGFUAA-CQSZACIVSA-N 327.771 3.015 30 40 EGEB C/C(CC1SCCCS1)=N/NS(=O)(=O)c1ccc(C)cc1 4963752 SVDOALYJKJHUTJ-QINSGFPZSA-N 344.527 3.236 30 40 EGEB CN(CCCNC(=O)Nc1ccc(C#N)c(Cl)c1)CC(F)(F)F 58140862 MZLQBUDZSQOFCP-UHFFFAOYSA-N 348.756 3.217 30 40 EGEB COc1cccc([C@H]2CCCN2S(=O)(=O)c2ccccc2C#N)c1 12751229 WBHQHSSWQVENRQ-QGZVFWFLSA-N 342.420 3.093 30 40 EGEB CCOC(=O)c1ccc(/N=C\c2cc3c(cc2OC)OCO3)cc1 409098298 PSZPQNKIBDHTKI-GRSHGNNSSA-N 327.336 3.351 30 40 EGEB Cc1ccc(N2C(=O)C[C@@H](C(=O)OCC#N)[C@H]2c2cccs2)cc1 9539374 XWEUNSPWSBDCPE-PBHICJAKSA-N 340.404 3.218 30 40 EGEB N#CCCN(Cc1ccccn1)C(=O)c1ccccc1Br 71903916 PTOGDFABIMJTTB-UHFFFAOYSA-N 344.212 3.400 30 40 EGEB N#CCCN(Cc1nc(-c2ccc(Cl)cc2)no1)C1CCOCC1 71912092 MTXNBEYEKUSJBG-UHFFFAOYSA-N 346.818 3.285 30 40 EGEB N#Cc1cc(F)c(NCc2ccccc2Cn2cncn2)c(F)c1 69486761 QSVDVTPWGQBLEL-UHFFFAOYSA-N 325.322 3.088 30 40 EGEB CSc1ccc(N(C)S(=O)(=O)c2cccc(F)c2C#N)cc1 95960751 HFUCRNKNVMKZRT-UHFFFAOYSA-N 336.413 3.244 30 40 EGEB CN1CCC[C@H](NC(=O)Nc2cccc(C#Cc3cccs3)c2)C1 75121949 PSZMXIFJUXXBMT-KRWDZBQOSA-N 339.464 3.364 30 40 EGEB C=CCNC(=O)Nc1cccc(C#Cc2cccc(C(=O)OC)c2)c1 48355515 FIKDQTKYGDIZIJ-UHFFFAOYSA-N 334.375 3.181 30 40 EGEB N#Cc1cc(NCc2cccc(OCC(F)F)c2)cc(N)c1[N+](=O)[O-] 330033258 YJZNKGKLQQVQOI-UHFFFAOYSA-N 348.309 3.305 30 40 EGEB N#Cc1ccc(C(=O)Nc2cccc(COC[C@@H]3CCCCO3)c2)[nH]1 95433564 FOEGPEVBBFXSKJ-KRWDZBQOSA-N 339.395 3.224 30 40 EGEB Cc1csc(N2CCCN(c3cc(C)nc(C)c3C#N)CC2)n1 95418987 LFRGPJXNOPALIU-UHFFFAOYSA-N 327.457 3.052 30 40 EGEB Cc1cc(C)c(C#N)c(SCC(=O)N(C)Cc2cccs2)n1 23636666 ZYYFULPTZASPEM-UHFFFAOYSA-N 331.466 3.382 30 40 EGEB CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(C#N)cn2)C12CCCCC2 78874887 OGILDBZXZYVWPH-DLBZAZTESA-N 327.428 3.153 30 40 EGEB N#CCc1ccc(OC[C@@H](O)CN2CCC[C@@H]2c2ccccc2)cc1 25305932 SIMVSEIQFYZBSC-PZJWPPBQSA-N 336.435 3.329 30 40 EGEB COc1ccccc1/C(N)=N/O[C@@H](C)c1nnc(-c2cccs2)o1 72311195 SPGONTSRVVZYED-JTQLQIEISA-N 344.396 3.205 30 40 EGEB C=C(C)C(=O)Oc1cccc(N2C(=O)[C@H]3CC=C(C)C[C@@H]3C2=O)c1 100496732 GRNRHXJUPQDZDB-HOTGVXAUSA-N 325.364 3.014 30 40 EGEB CN(CC#N)C(=O)c1cn(C(C)(C)C)nc1-c1ccc(F)cc1F 96426330 MIZYDGSDPKFGJC-UHFFFAOYSA-N 332.354 3.179 30 40 EGEB N#Cc1ccc(C(=O)Nc2ccccc2C(=O)NC2CCCC2)cc1 7814094 TWKNJNYUOQMESG-UHFFFAOYSA-N 333.391 3.483 30 40 EGEB CCOc1ccc(C(=O)C[n+]2cccc(C(=O)c3ccccc3)c2)cc1 18191537 LNBZKXVDWUKAOF-UHFFFAOYSA-N 346.406 3.487 30 40 EGEB CCOc1cc(C#N)ccc1OCC(=O)N1CC[C@H]2CCCC[C@@H]2C1 8945019 VEAWBNMLSUWCAM-IAGOWNOFSA-N 342.439 3.374 30 40 EGEB C=CCCC(=O)N[C@@H](CC(=O)O)c1ccc(Br)cc1 97017843 JGUNNZSRGVHPRA-LBPRGKRZSA-N 326.190 3.047 30 40 EGEB C=CCOc1cc(C(=O)NCc2c(C)nn(C)c2C)cc2occc12 72240216 INMHQJWSCNRCOS-UHFFFAOYSA-N 339.395 3.278 30 40 EGEB COc1cccc(/C=N/Nc2nnc3c(n2)[nH]c2c(C)cccc23)c1 8321083 CTZWERGBTXUJCY-VXLYETTFSA-N 332.367 3.269 30 40 EGEB N#Cc1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1Cl 190264342 NECNFOQOBYIMHA-UHFFFAOYSA-N 349.705 3.276 30 40 EGEB CC(C)CN1C(=O)/C(=N\Nc2cccc(C(=O)O)c2)c2ccccc21 102132914 GKJAZVPTRWHGLY-FXBPSFAMSA-N 337.379 3.204 30 40 EGEB O=C1Oc2ccccc2C(=O)/C1=C\NCCc1ccc(Cl)cc1 102986840 FXYPOKDVIDHQCP-RVDMUPIBSA-N 327.767 3.158 30 40 EGEB C=CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1Cl 6022263 GIEAXPBAUVVJTB-QGZVFWFLSA-N 343.810 3.410 30 40 EGEB C=C(C)CN1CCN(C(=O)c2ccnc3ccc(Cl)cc23)CC1 57811671 ODFOCTITHGLMKW-UHFFFAOYSA-N 329.831 3.222 30 40 EGEB CCN(CC)CCCNc1oc(-c2ccc(OC)cc2)nc1C#N 2378111 LSKZYEDPYOPXPC-UHFFFAOYSA-N 328.416 3.366 30 40 EGEB CC(C)(C)OC(=O)NC[C@H]1CCN(Cc2cc(C#N)ccc2F)C1 75582096 DHVMRIAQJVHDOA-CQSZACIVSA-N 333.407 3.044 30 40 EGEB C=CCN1CCC(NC(=O)N[C@@H](c2ncccc2C)C(C)C)CC1 76016568 NRQVWQMVKSRSFG-QGZVFWFLSA-N 330.476 3.037 30 40 EGEB C=CCn1c(S)nnc1-c1sc(NC(=O)[C@@H](C)CC)nc1C 66621206 WSMYKLOEMDWLPX-QMMMGPOBSA-N 337.474 3.169 30 40 EGEB CC(C)N/C(=N\S(=O)(=O)c1ccccc1)C(Cl)(Cl)Cl 15986390 DACRAQACYIOEFP-UHFFFAOYSA-N 343.663 3.142 30 40 EGEB N#Cc1cccc(CS(=O)(=O)N2CCCC[C@H]2c2ccco2)c1 71909497 XYMYBMMZBYFICO-INIZCTEOSA-N 330.409 3.208 30 40 EGEB CCN1CCC(N(C(=O)CSc2ccc(C#N)cc2)C2CC2)CC1 69438784 SCNBYTZAVRXTPW-UHFFFAOYSA-N 343.496 3.126 30 40 EGEB CC(C)n1cc(C#N)c(NS(=O)(=O)c2cccc3ccccc23)n1 89894022 QXFXUASQMJUAPW-UHFFFAOYSA-N 340.408 3.290 30 40 EGEB CCN1C(=O)/C(=N/Nc2ccc(Cl)c(C(=O)O)c2)c2ccccc21 25355833 ZIWBGJOASMUPOP-HMMYKYKNSA-N 343.770 3.221 30 40 EGEB Cc1ccc(/N=C\c2ccc(N3CCOCC3)cc2)cc1[N+](=O)[O-] 409100132 SPERMWIGICUWRD-UYRXBGFRSA-N 325.368 3.490 30 40 EGEB O=C1C=C/C(=N\S(=O)(=O)c2ccc(Cl)cc2)c2ccccc21 207194 YMBSGIVUXBFWET-OBGWFSINSA-N 331.780 3.271 30 40 EGEB C=CCOC[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)Nc1ccc(C)cc1 503815613 QKSMSGFCTCALOK-SZMVWBNQSA-N 330.428 3.209 30 40 EGEB O=C(O)COc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O 5270357 KRPNTWWGUCEBRB-CHHVJCJISA-N 330.723 3.420 30 40 EGEB CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)/C=C/c1ccccc1Cl 22112376 MFHSOXZZEJEZKX-OIZAHYDHSA-N 348.830 3.339 30 40 EGEB Cc1c(C(=O)N2CCCC2)sc(NC(=O)c2cccs2)c1C#N 350699 DZDPQHJIWDVCEG-UHFFFAOYSA-N 345.449 3.478 30 40 EGEB COC(=O)C1=C(N)c2c(F)cccc2[C@]1(C#N)c1ccc(Cl)cc1 1400293 QPGBABUYDJSDAL-SFHVURJKSA-N 342.757 3.145 30 40 EGEB COc1ccc(CCN/C(C)=C2\C(=O)C[C@@H]3[C@H]2C3(C)C)cc1OC 100750846 XIURQJMAEMJWEL-YUIXEQDVSA-N 329.440 3.355 30 40 EGEB biogenic Cc1cc(N2CCCC2)ccc1/C=N/Nc1ncccc1[N+](=O)[O-] 4106798 SVCDYPPFJRNFLW-XDHOZWIPSA-N 325.372 3.344 30 40 EGEB Cc1nn(-c2ccccc2)nc1C(=O)Nc1ccc(C#N)c(Cl)c1 8331460 YEXRSWAPKOVBEO-UHFFFAOYSA-N 337.770 3.353 30 40 EGEB C=C(Br)CNC(=O)Nc1ncc(C)cc1Br 97163385 WKEMDDVMTGJXGJ-UHFFFAOYSA-N 349.026 3.183 30 40 EGEB COc1cccc(/C=N\c2cccc([N+](=O)[O-])c2)c1O[C@@H](C)C(=O)O 409231514 JNRXRUFCWVRQKT-TZQXVGBESA-N 344.323 3.206 30 40 EGEB O/C(=N\c1nncn1Cc1ccccc1)[C@H]1CCN1Cc1ccccc1 96444753 SWZXLPJXOXUCDK-GOSISDBHSA-N 347.422 3.189 30 40 EGEB C[C@H](NCc1cc(C#N)cnc1Cl)[C@@H](c1ccccc1)N(C)C 585116730 GYTJMWWGKVOSSH-GUYCJALGSA-N 328.847 3.388 30 40 EGEB C[C@H](OC(=O)COc1ccc(C#N)cc1)C(=O)c1ccc2c(c1)CCC2 5990237 AXSPAMIOLNVWOQ-AWEZNQCLSA-N 349.386 3.240 30 40 EGEB CNC(=O)[C@H](C#N)C(=O)c1ccc(-c2ccc(F)cc2C)c(F)c1 101170021 PGBGUYHABWAVAM-OAHLLOKOSA-N 328.318 3.009 30 40 EGEB COc1ccc([C@H]2/C(=C(\O)c3ccc(C)cc3)C(=O)C(=O)N2C)cc1 102671638 LIFKDENNUZQDGZ-HVESIFNPSA-N 337.375 3.055 30 40 EGEB C=C(C)CN1CCN(C(=O)c2[nH]c3ccc(OCC)cc3c2C)CC1 57811686 YCWFHGCBSMJEDZ-UHFFFAOYSA-N 341.455 3.209 30 40 EGEB N#Cc1cc(F)c(N2CCC(c3nnc4ccccn34)CC2)c(F)c1 84606623 RFWJEJGMVFGYRV-UHFFFAOYSA-N 339.349 3.263 30 40 EGEB Cc1sc(NC(=O)COc2ccccc2[N+](=O)[O-])c(C#N)c1C 9142089 SUAXPTZYECGTPJ-UHFFFAOYSA-N 331.353 3.162 30 40 EGEB C[S@@](=O)CCC(=O)Nc1ccc(Oc2cccc(F)c2C#N)cc1 95978550 ZDZVEDAYHJCYJU-DEOSSOPVSA-N 346.383 3.197 30 40 EGEB CCN(CC)S(=O)(=O)c1ccc(OC)c(/N=C/c2ccccc2)c1 5019512 QUOIMIUZQRJFAH-XMHGGMMESA-N 346.452 3.476 30 40 EGEB C#CCOc1ccc(NC(=O)N[C@H](CC)c2c(C)nn(C)c2C)cc1 96434745 PAAJGNBYIFTVCL-QGZVFWFLSA-N 340.427 3.322 30 40 EGEB COc1ccc(/C=C/C(=O)c2ccc(OCC(=O)O)cc2)c(OC)c1 8321913 OYEMAEOSUIIYJO-UXBLZVDNSA-N 342.347 3.063 30 40 EGEB C[C@@H]1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1 71847884 MSYBVTOGNMKTJY-ZBFHGGJFSA-N 348.468 3.073 30 40 EGEB COc1ccc(C/N=C\c2ccc(OCC(=O)O)c(Cl)c2)cc1 408849699 YBLMKECSQBZFGH-GRSHGNNSSA-N 333.771 3.431 30 40 EGEB CC(C)(C)OC(=O)N1CCOc2nc(C#C[Si](C)(C)C)ccc21 725327793 NKBWKEGCQLPFDE-UHFFFAOYSA-N 332.476 3.444 30 40 EGEB Cc1ccc(S(=O)(=O)CCCC(=O)Nc2sccc2C#N)cc1 10218591 VNIBJEFELDYISG-UHFFFAOYSA-N 348.449 3.121 30 40 EGEB CCSCc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccn2)cc1 104055591 VXWMYSIXRGURHM-OAHLLOKOSA-N 339.420 3.296 30 40 EGEB Cc1nnc(NC[C@@H](c2ccco2)N2CCCCC2)c(C#N)c1C 24053512 JLRHBGDKNDYQAA-INIZCTEOSA-N 325.416 3.197 30 40 EGEB C[C@@]1([N+](=O)[O-])C(=O)[C@@]2(N3CCCCC3)CCC[C@H]2[C@@H]1c1ccccc1 1608391 VGFYHNWVCSUSBB-QGZVKYPTSA-N 342.439 3.413 30 40 EGEB N/C(=N/C1CC1)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 58404759 JYHBBRMPPWIENI-UHFFFAOYSA-N 345.450 3.165 30 40 EGEB C[C@H]1C[C@@H](C(N)=O)c2ccccc2N1Cc1cn2ccccc2c1C#N 58432982 STAANLJKROINLA-WMLDXEAASA-N 344.418 3.179 30 40 EGEB COc1ccc([C@@H]2CCCN2S(=O)(=O)c2cccc(C#N)c2)cc1 12910685 ZFCLUIHHDFJANW-SFHVURJKSA-N 342.420 3.093 30 40 EGEB N#Cc1ccc(OCCn2nc(-c3ccccc3F)ccc2=O)cc1 66265107 LVDBTZKAGNZHAF-UHFFFAOYSA-N 335.338 3.000 30 40 EGEB O=C(Nc1ccccc1[N+](=O)[O-])C(F)(F)C(F)(F)C(F)(F)F 5679632 QPHWRPQUQFDFFA-UHFFFAOYSA-N 334.147 3.366 30 40 EGEB C=CCn1c(C)c(C(=O)OCC)s/c1=N\c1cccc([N+](=O)[O-])c1 17297420 JOJZOYZZASJZGY-MSUUIHNZSA-N 347.396 3.361 30 40 EGEB CN(Cc1cnn(C)c1)C(=O)c1ccccc1Oc1ccccc1C#N 97047203 LQKVHTJKQRZIAU-UHFFFAOYSA-N 346.390 3.356 30 40 EGEB CC(C)COc1ccc(C2(/C(O)=N/S(C)(=O)=O)CCC2)cc1 78773265 NVYFGVIYKUWOMH-UHFFFAOYSA-N 325.430 3.059 30 40 EGEB O=C[C@@H]1[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 225670608 URYHGLJASKDYSV-BZUAXINKSA-N 338.787 3.234 30 40 EGEB CCc1ccc(-n2nc(C#N)c(N3CCc4ccccc4C3)n2)cc1 256047368 MDMYNTXXDVZRRS-UHFFFAOYSA-N 329.407 3.264 30 40 EGEB Cc1csc([C@H](C#N)C(=O)c2cccc(OCC(F)(F)F)n2)n1 76018966 OHMNVJJFCDXTHL-SECBINFHSA-N 341.314 3.278 30 40 EGEB C#CCOc1cccc(NC(=O)NCc2ncc(C(C)(C)C)o2)c1 84284668 ZVEUFBIGEDOHPS-UHFFFAOYSA-N 327.384 3.306 30 40 EGEB Cc1cc(S(=O)(=O)N(C)C)cc(NCc2ccccc2C#N)c1C 40017153 GCWGPDUWTDZGFB-UHFFFAOYSA-N 343.452 3.038 30 40 EGEB COc1ccc(CN2CCN(c3cccc(F)c3C#N)CC2)cc1 52721383 PUKPAPKZPVWEFE-UHFFFAOYSA-N 325.387 3.028 30 40 EGEB C[C@@H]1CN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)C[C@@H](C)O1 108348587 VJXSRDSOMQVYET-RBSFLKMASA-N 347.484 3.129 30 40 EGEB N#Cc1ccc(OC[C@H](O)CN2CCCSc3ccccc32)cc1 57943984 UUELBZLJIUCYIX-MRXNPFEDSA-N 340.448 3.300 30 40 EGEB Cc1cc(NC(=O)[C@H](C)SCc2ccccc2)n(CCC#N)n1 58193780 YIDWYYSEOKKZAY-AWEZNQCLSA-N 328.441 3.366 30 40 EGEB N#Cc1ccccc1CS(=O)(=O)/N=C(\O)CCCc1ccccc1 48506389 HOCNELWKPIUBJP-UHFFFAOYSA-N 342.420 3.367 30 40 EGEB C=CCNC(=O)CSc1nc2ccccc2c2nc3ccccc3n12 6158450 PXPIRDGLOKFLFD-UHFFFAOYSA-N 348.431 3.430 30 40 EGEB CCSc1nc2n(n1)[C@@H](c1cccc(O)c1)C1=C(CCCC1=O)N2 4436174 YSPKITCYEARGPE-HNNXBMFYSA-N 342.424 3.118 30 40 EGEB Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(C#N)cc2)c(C)s1 5357079 OUJORUUMWLRVQF-NSHDSACASA-N 328.393 3.421 30 40 EGEB C=C(C)CN1c2ccccc2NC(=O)[C@H]1CC(=O)Nc1ccccc1 9469846 CPFPEPGYGCCYIR-GOSISDBHSA-N 335.407 3.419 30 40 EGEB N#Cc1ccc(NC(=O)COC(=O)c2cc3ccccc3cc2O)cc1 5843511 BBONSMHSNQOQIW-UHFFFAOYSA-N 346.342 3.213 30 40 EGEB Cc1cc(C(=O)NCC#Cc2ccccc2)c(C)n1-c1cccnc1 95350058 FQCFJLLWNRZTSJ-UHFFFAOYSA-N 329.403 3.271 30 40 EGEB CCc1nc(CCNC(=O)[C@H](C)Oc2ccccc2C#N)sc1C 69486847 GFBZHOPBZWLGLP-LBPRGKRZSA-N 343.452 3.012 30 40 EGEB N#Cc1cncc(NC2(Cc3ccccc3Br)CC2)n1 584046504 ZHBZMAJTDKRXDZ-UHFFFAOYSA-N 329.201 3.298 30 40 EGEB COc1ccc(-c2nc(C#N)c(NCc3cccnc3)o2)cc1OC 538749 PFINZLDAEJAZAZ-UHFFFAOYSA-N 336.351 3.238 30 40 EGEB Cc1ccc([C@H]2C3=C(CCCC3=O)NN2c2nc(C)cc(C)n2)cc1 8558902 AUOLNJRSDFGWEE-IBGZPJMESA-N 334.423 3.475 30 40 EGEB N#C[C@@H](NC(=O)CCc1nnc(C2CCCC2)o1)c1ccccc1F 95415187 VDAJPPKDPVQOJX-OAHLLOKOSA-N 342.374 3.180 30 40 EGEB COc1ccc(OC)c([C@H](C)NC(=O)CCc2ccc(C#N)cc2)c1 10759529 FMTQRPANAFZOGZ-AWEZNQCLSA-N 338.407 3.385 30 40 EGEB COc1ccc(-c2nc(CCNc3nnc(C)c(C)c3C#N)co2)cc1 65563975 FLHQTXAFXZJUCS-UHFFFAOYSA-N 349.394 3.283 30 40 EGEB N#CCCN(C(=O)CSc1cccc[n+]1[O-])c1cccc(Cl)c1 5780152 GLGKRSOPPUNMKJ-UHFFFAOYSA-N 347.827 3.012 30 40 EGEB CC[C@H](C)c1cc(C(=O)N[C@@H](C#N)c2cnn(-c3ccccc3)c2)on1 96423686 ZEAAQRSNTYUSNB-GUYCJALGSA-N 349.394 3.368 30 40 EGEB C=CCSCC(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1 69617129 QYLPLVYQSWTNHK-UHFFFAOYSA-N 345.424 3.384 30 40 EGEB CCc1nn(C[C@H](O)c2ccc(C(C)C)cc2)c(=O)c(C#N)c1CC 69920678 ZCXKZOLZJOJSEP-IBGZPJMESA-N 339.439 3.097 30 40 EGEB CCCCOC(=O)c1ccc(-c2ccc(/C=N\NC(N)=S)o2)cc1 409065811 UJXDYKZCUUGQAR-ODLFYWEKSA-N 345.424 3.071 30 40 EGEB Cc1ccc(N2C(=O)NC(=O)[C@@H](C=Nc3ccc(C)cc3C)C2=O)cc1 408536866 SWCQJKLYXFLNCQ-MRXNPFEDSA-N 349.390 3.213 30 40 EGEB CCCCCCCNS(=O)(=O)c1cc(C(=O)O)ccc1Cl 226860900 QKCRMOAICJJNKF-UHFFFAOYSA-N 333.837 3.287 30 40 EGEB C=CCOc1ccc(C(=O)NCCOc2ccc(OC)cc2)cc1 224638709 CVNTUYQLSBPSGD-UHFFFAOYSA-N 327.380 3.069 30 40 EGEB N#Cc1cc(F)ccc1NC(=O)CSCC(=O)c1ccccc1 195577474 GTZYGOPILZKWKE-UHFFFAOYSA-N 328.368 3.252 30 40 EGEB C[C@H]1SC(=Nc2ccccc2)N(S(=O)(=O)c2ccccc2)C1=O 254620788 XJVYTMOFCZTFCV-GFCCVEGCSA-N 346.433 3.027 30 40 EGEB CC(C)c1nc2c(n1C)CCN(CCCOc1ccc(C#N)cc1)C2 69625062 SPPVBXFYKHDBIF-UHFFFAOYSA-N 338.455 3.242 30 40 EGEB COc1ccnc(/N=C\NOCc2ccc(F)cc2Cl)c1C#N 13142621 YTURUSGWFMBDPX-UHFFFAOYSA-N 334.738 3.136 30 40 EGEB N#CCOc1ccc(/C=C/C(=O)OCc2ccc(Cl)nc2)cc1 24884716 QFQJBHVPCWQBMX-XBXARRHUSA-N 328.755 3.394 30 40 EGEB CC/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(O)cc1 12401983 RVEHKPJNMYYCIS-SSZFMOIBSA-N 330.300 3.435 30 40 EGEB C#CCOc1cccc([C@H]2CC(O)=Nc3c2ncn3-c2cccnc2)c1 40282892 GBHBLMDWXQZJQF-QGZVFWFLSA-N 344.374 3.403 30 40 EGEB COc1cc(C(=O)/C=C/Nc2ccc(O)cc2)cc(OC)c1OC 535094 KIASBBZDTOPXMM-CMDGGOBGSA-N 329.352 3.227 30 40 EGEB N#C[C@@H](C(=O)/C=C/c1ccc(Cl)cc1)C(=O)Nc1ccccn1 104055967 AXRVNIRPJJZWDQ-MRZGDXHCSA-N 325.755 3.096 30 40 EGEB N#Cc1ccc(S(=O)(=O)N(Cc2ccccc2F)C2CC2)cc1 9503212 KFDFZIXHFSDFDR-UHFFFAOYSA-N 330.384 3.051 30 40 EGEB N#CCn1c(C(=O)N2CCCC[C@@H]2Cn2cccn2)cc2ccccc21 71865435 OOQGVRIVDVCLDJ-QGZVFWFLSA-N 347.422 3.056 30 40 EGEB N#Cc1ccc(C(F)(F)F)nc1N1CCc2ccccc2[C@H]1CO 576052541 NXLBOWZKHMBJGL-CQSZACIVSA-N 333.313 3.068 30 40 EGEB COc1ccc([C@H](NC(=O)N(C)[C@@H](C)CC#N)C(F)(F)F)cc1 97100283 SAZGIKSNFZMRFM-GWCFXTLKSA-N 329.322 3.242 30 40 EGEB CN(C)c1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 5319319 SXZCTRDUMRQOKN-MHWRWJLKSA-N 329.316 3.015 30 40 EGEB COc1ccc([C@@H]2NC3=C(CCCC3)C(C#N)(C#N)C2(C#N)C#N)cc1 537498 TZHQIPKHYTZMJO-SFHVURJKSA-N 343.390 3.235 30 40 EGEB Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H]2CCCCNC2=O)n1 10992347 JAPCPSFXTZZGCT-LLVKDONJSA-N 329.347 3.041 30 40 EGEB Cc1ccc(NCc2nc3ccccc3c(=O)n2CC#N)cc1Cl 12739767 JQHONKORAGSVPC-UHFFFAOYSA-N 338.798 3.494 30 40 EGEB C=CCn1c(C)cc(C(=O)COC(=O)c2ccc3c(c2)OCO3)c1C 3436810 FSFHHVNATSGZLO-UHFFFAOYSA-N 341.363 3.059 30 40 EGEB COC(=O)c1cccc(/N=C/[C@H]2C(=O)N(c3ccccc3)N=C2C)c1 408739739 FCZBXOHCSXMSNH-XNHPLOEXSA-N 335.363 3.214 30 40 EGEB C=CCn1c(C)nnc1S[C@H](C)C(=O)Nc1cccc(C(C)=O)c1 6909175 HZNJDGQEPSAEKC-GFCCVEGCSA-N 344.440 3.094 30 40 EGEB C#CC[C@H](C)NC1CCN(Cc2ccccc2Br)CC1 95983911 DWLMOEACOHDQPJ-AWEZNQCLSA-N 335.289 3.415 30 40 EGEB C[C@H](Cc1cccs1)/C(O)=N/S(=O)(=O)Cc1ccccc1C#N 76759304 HNHQMVHIOAYAKI-GFCCVEGCSA-N 348.449 3.285 30 40 EGEB N#Cc1cc([N+](=O)[O-])cnc1NC[C@@H](O)c1ccc2ccccc2c1 67372959 LFPJDGHFPSPZQP-QGZVFWFLSA-N 334.335 3.160 30 40 EGEB C=CCN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(OC)cc1 224852115 YTHLBNXBWXSGHM-UHFFFAOYSA-N 347.436 3.475 30 40 EGEB N#Cc1cccc(CN2CC[C@]3(CCCN(c4ccccn4)C3)C2)c1 96216665 RDWLVYRULNZMBJ-OAQYLSRUSA-N 332.451 3.446 30 40 EGEB C[C@](O)(CNC(=O)c1cccc(C#N)c1)c1cc2ccccc2s1 217498855 UPTWUBBYQIXIDL-IBGZPJMESA-N 336.416 3.410 30 40 EGEB Cn1c(-c2ccccc2)nnc1[C@@H](C#N)C(=O)c1ccc2c(c1)COC2 50206740 CKWYFMBLQVROQD-KRWDZBQOSA-N 344.374 3.002 30 40 EGEB N#Cc1ccc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 74005 HOFCXNDKALOCRF-SXGWCWSVSA-N 337.766 3.305 30 40 EGEB C/C(=N/NS(=O)(=O)c1ccc(C)cc1)[C@H]1C[C@@H]1c1ccccc1 3882993 CYTXZSSGRJWZNE-UEJLOKKHSA-N 328.437 3.453 30 40 EGEB C[C@H](/C(O)=N/c1nc(-c2ccccn2)n[nH]1)n1cnc2ccccc21 44978211 ANQVUSCYONZYQK-LLVKDONJSA-N 333.355 3.066 30 40 EGEB CC(=O)c1ccccc1OCCOC(=O)CCc1ccc(C#N)cc1 12956954 RBHBREUNKZHQHV-UHFFFAOYSA-N 337.375 3.316 30 40 EGEB COc1cc([C@H](C)Nc2ncc(C#N)cc2Cl)ccc1OCCO 65565269 BSRAXMQNVLMIEQ-NSHDSACASA-N 347.802 3.159 30 40 EGEB Cc1cccc(-c2cc3ncnc(-n4ncc(C#N)c4N)c3s2)c1 19797084 UEHFXFMDWMMLJC-UHFFFAOYSA-N 332.392 3.306 30 40 EGEB CCOC(=O)N1CCC(=NNc2ccc(Cl)c(C(=O)O)c2)CC1 4933431 CXAFEVJYBFJJCB-UHFFFAOYSA-N 339.779 3.058 30 40 EGEB CN(C(=O)c1cc(-n2cccn2)ccn1)c1cc(Cl)ccc1C#N 89364961 UUMCVVQRGYIXEE-UHFFFAOYSA-N 337.770 3.069 30 40 EGEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCc2[nH]c3ccccc3c2C1 9901736 CQRJAADHSZXKIF-CQSZACIVSA-N 345.402 3.392 30 40 EGEB Cc1ccc(CN(C)CC(=O)Nc2sc3c(c2C#N)CCC3)o1 7976148 GGLLEUVTSRSQFE-UHFFFAOYSA-N 329.425 3.080 30 40 EGEB N#Cc1c(Cl)nsc1N1CCN(c2ccc(Cl)cn2)CC1 71833159 YMXICIOQIJEQJV-UHFFFAOYSA-N 340.239 3.043 30 40 EGEB C[C@H](OC(=O)C[C@@H](C)c1cccnc1)C(=O)Nc1ccccc1C#N 71914253 FICFTXLHPHDMNN-KGLIPLIRSA-N 337.379 3.017 30 40 EGEB N=c1nnc(-c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)c[nH]1 521398344 VDWAFFJJGPUCTP-UHFFFAOYSA-N 340.202 3.241 30 40 EGEB COc1ccc(-n2cnnc2S[C@@H](C#N)C2CCCCC2)cn1 79358900 FVBJHXVHDLGGLM-AWEZNQCLSA-N 329.429 3.235 30 40 EGEB N#Cc1ccc(N2CCC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)cc1 96073655 ROVXEESMRNJKED-VQTJNVASSA-N 335.407 3.160 30 40 EGEB OC1=NCCN(c2ccc(N=C(O)c3cncc4ccccc34)cn2)C1 330031856 FBZZCQUGSWVJQL-UHFFFAOYSA-N 347.378 3.043 30 40 EGEB CCN(Cc1ccccc1)c1nn(-c2ccccc2OC)nc1C#N 256047691 NZZIVPFORGWXMV-UHFFFAOYSA-N 333.395 3.174 30 40 EGEB COc1cc(C(=O)/C=C/c2ccc(F)c(F)c2)ccc1OCC(=O)O 8313361 OUCKVQLXFAAUFQ-ZZXKWVIFSA-N 348.301 3.333 30 40 EGEB CC1(C)Cc2c(C#N)c(N3CCOCC3)nc(-c3ccccc3)c2CO1 19204561 NDSKJDZBHQLUIC-UHFFFAOYSA-N 349.434 3.308 30 40 EGEB CC(=O)Nc1cccc(C(=O)[C@H](C#N)C(=O)c2sccc2C)c1 103503213 BBIDVUQKSDDBGH-AWEZNQCLSA-N 326.377 3.220 30 40 EGEB CCOc1ccccc1[C@@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)CCC2 135397 YHQHWUYREXJERB-GOSISDBHSA-N 341.407 3.226 30 40 EGEB CC(C)(C)c1ccc([C@H]2NC(=O)C(O)=C2C(=O)c2ccco2)cc1 4901670 SQUMRPHYANMTNW-OAHLLOKOSA-N 325.364 3.443 30 40 EGEB Cc1nc(C)c(C#N)c(SCc2noc(-c3ccsc3)n2)n1 26125256 HZAJZVZNUUXIJH-UHFFFAOYSA-N 329.410 3.369 30 40 EGEB Cc1nc([C@H]2CCCCCN2C(=O)Nc2ccc(C#N)cc2)no1 95998985 UYVZEPIUOCFPHW-OAHLLOKOSA-N 325.372 3.399 30 40 EGEB N#C[C@@H](C(=O)/C=C/c1cc(Cl)c2c(c1)OCCO2)c1ccccn1 49456594 INICJPTZVWOPMN-MUBLQREKSA-N 340.766 3.396 30 40 EGEB C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C1(C#N)CCCCC1 14183848 VMXHOQHUNDXHGW-ZDUSSCGKSA-N 331.372 3.047 30 40 EGEB Cc1nn(-c2ccccc2)c(O)c1/C=N/Nc1nc2ccccc2o1 5921348 JJSHLRWCCDKDFR-YBFXNURJSA-N 333.351 3.474 30 40 EGEB Cc1nc([C@H]2CCCN(c3nc(C(F)(F)F)ccc3C#N)C2)no1 72286171 NKWCQSIKWQEYJP-NSHDSACASA-N 337.305 3.048 30 40 EGEB N#C[C@@]1(NC(=O)c2cccc(Oc3ccncc3)c2)CCSC1 75137677 KSJZOUYBFYLKFA-KRWDZBQOSA-N 325.393 3.003 30 40 EGEB COc1ccc(-n2cnnc2S[C@H](C#N)C2CCCCC2)cn1 79358902 FVBJHXVHDLGGLM-CQSZACIVSA-N 329.429 3.235 30 40 EGEB N#Cc1cccc(CNCc2cccc(NC(=O)c3ccncc3)c2)c1 55171603 PZKRDHIDTWDSQN-UHFFFAOYSA-N 342.402 3.495 30 40 EGEB N#Cc1cccc(C(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)c1 58282758 QOYYRVSRFSLWTN-AWEZNQCLSA-N 341.361 3.093 30 40 EGEB COc1ccc([C@@H]2CCN(C(=O)NCc3ccc(C#N)cc3)C2)cc1 58370164 XTPYQGVCRWVTJH-GOSISDBHSA-N 335.407 3.266 30 40 EGEB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccccn1 107888291 ZFDBLTMMZLCHIE-HYARGMPZSA-N 326.359 3.341 30 40 EGEB C/C(=N\NC1=NS(=O)(=O)c2ccccc21)c1ccc2ccccc2c1 45870780 HBNUWRGNKANBFT-DEDYPNTBSA-N 349.415 3.303 30 40 EGEB N/C(=N\OC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccn1 4191650 ZGBGMIHXFBCKFI-UHFFFAOYSA-N 331.375 3.155 30 40 EGEB Cn1c(SCC#CCOC(=O)c2ccco2)nc2ccccc21 6628746 MGXXKQAWQBFISO-UHFFFAOYSA-N 326.377 3.119 30 40 EGEB Cc1nccn1-c1ccc(NC(=O)CSc2ccc(C#N)cc2)cn1 69382504 KSFXOGYPLBOTCI-UHFFFAOYSA-N 349.419 3.178 30 40 EGEB CCCN(CC#N)C(=O)c1cc(O)c2cc(Br)ccc2n1 71903023 GPZRWMRFFNDULN-UHFFFAOYSA-N 348.200 3.079 30 40 EGEB COc1ccc([C@@H](NC(=O)CC#N)c2ccccc2Cl)c(OC)c1 97097351 RDIBTNJVRVCAPE-SFHVURJKSA-N 344.798 3.476 30 40 EGEB Cc1c(C#N)c(NC(=O)CSC[C@H]2CCCCO2)n2ccccc12 585124914 ZWMJPAWRNJDSFD-CQSZACIVSA-N 343.452 3.360 30 40 EGEB Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cc(C3CC3)on2)c1C 72292426 FSTASOKEXUVWQO-UHFFFAOYSA-N 347.378 3.479 30 40 EGEB CC1=NN(c2ccccc2)C(=O)/C1=N/Nc1cccc(OC(F)F)c1 12625366 AHHAPOWCPJYCSE-RCCKNPSSSA-N 344.321 3.479 30 40 EGEB CC1(C)OB(c2ccc3c(c2)ncn3[C@H]2CCCCO2)OC1(C)C 200819299 JBHDISPQXCBZAY-MRXNPFEDSA-N 328.221 3.035 30 40 EGEB COC(=O)c1ccc(/C=C/C(=O)c2ccc(OC)cc2OC)cc1 5128059 CNSVOABXIJHMBH-IZZDOVSWSA-N 326.348 3.387 30 40 EGEB Cc1ccc(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)cc1C 14183655 QFLBTFXPZUFHCS-HXUWFJFHSA-N 333.435 3.326 30 40 EGEB C=CCN1CCC[C@@]12CCCN(C(=O)Cc1noc3ccccc13)C2 1565555367 YSTMAHHOQOONCH-HXUWFJFHSA-N 339.439 3.013 30 40 EGEB N#Cc1cccnc1N1CCC(CNC(=O)Nc2cccs2)CC1 70929474 ZUAWWAJKUSGCOH-UHFFFAOYSA-N 341.440 3.053 30 40 EGEB C[C@H](NC(=O)c1cccnc1N1CCCCC1)c1ccc(C#N)cc1 40132970 CLCARKFYPALMRB-HNNXBMFYSA-N 334.423 3.435 30 40 EGEB C=CCn1cnc2c(sc3nc4c(cc32)CO[C@](C)(CC)C4)c1=O 32104306 JOUYXZUCHRIJQV-GOSISDBHSA-N 341.436 3.434 30 40 EGEB Cc1cc(C(=O)NCc2cccnc2)c(C)n1-c1ccc(C#N)cc1 77312422 UYCSQJXPVUPJOI-UHFFFAOYSA-N 330.391 3.291 30 40 EGEB Cc1nn(C)c(C)c1[C@H]1CCCN1c1ccc(C#N)cc1[N+](=O)[O-] 105795481 IGAHSUJRLYKUBM-OAHLLOKOSA-N 325.372 3.158 30 40 EGEB N#CCSc1nc(C2CC2)cc(-c2ccc(F)cc2)c1C(N)=O 2500725 AWDOPKFGKPZBEK-UHFFFAOYSA-N 327.384 3.480 30 40 EGEB CN(CC(=O)NC(C)(C)C)C(=O)c1ccc(C#Cc2ccccc2)cc1 24957442 GMJYYFRGNFZIDB-UHFFFAOYSA-N 348.446 3.073 30 40 EGEB CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)c1ccc(C#N)cc1 58280004 XEEVTOPQDRRISR-INIZCTEOSA-N 343.427 3.078 30 40 EGEB CCOC(=O)c1sc(NC(=O)[C@H]2C[C@@H]3CC[C@@H]2C3)c(C#N)c1C 102125333 IXHJDQFQQLWVEX-UTUOFQBUSA-N 332.425 3.480 30 40 EGEB COc1ccc(NC(=O)[C@@H](C#N)C(=O)C[C@@H]2CCc3ccccc32)cc1 102752386 VSFSLXWXORNDSR-KXBFYZLASA-N 348.402 3.463 30 40 EGEB Cc1csc([C@@H](C#N)C(=O)c2ccc(NC(=O)NC3CC3)cc2)n1 48789202 JZEWOYDWUUPDJZ-AWEZNQCLSA-N 340.408 3.226 30 40 EGEB Cc1csc(C2=C(N)N([C@H]3CCCc4ccccc43)CC2=O)n1 13684556 MAXUSTVSANLGCS-AWEZNQCLSA-N 325.437 3.041 30 40 EGEB C=CCN(Cc1ccc(C#N)cc1)C(=O)CSCc1cccnc1 65591798 ASGWLTVQJQTACE-UHFFFAOYSA-N 337.448 3.401 30 40 EGEB Cc1cnn([C@@H]2CCCN(C(=O)c3cc4ccccc4n3CC#N)C2)c1 71185423 NIKAFBXCOMUOKP-QGZVFWFLSA-N 347.422 3.147 30 40 EGEB CCOc1ccc(C(=O)Nc2ncccc2OCCCC#N)cc1 71184990 VLCNBALWTAYEBZ-UHFFFAOYSA-N 325.368 3.415 30 40 EGEB C=CCn1c(C)c(/C=C2\NC(=S)N(CC)C2=O)c2ccccc21 409007019 MSVRQTLBQFFSCE-PTNGSMBKSA-N 325.437 3.213 30 40 EGEB CC(=O)c1sc(NS(=O)(=O)c2ccc(C)cc2)c(C#N)c1C 409056015 BYTOHVPERMADQN-UHFFFAOYSA-N 334.422 3.240 30 40 EGEB N#Cc1c(NC(=O)c2ccc(-n3cnnc3)cc2)sc2c1CCCC2 35684108 KMBXTPYDNJGFMA-UHFFFAOYSA-N 349.419 3.332 30 40 EGEB C[C@H](Oc1ccccc1Br)C(=O)[C@H](C#N)c1ccccn1 79029124 OYAAOFWNPGIAHJ-NWDGAFQWSA-N 345.196 3.488 30 40 EGEB Cc1ncc(CS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)s1 195580573 HYJQSUYYZGVZBW-UHFFFAOYSA-N 346.355 3.316 30 40 EGEB O=C1CCCC2=C1[C@H](c1cccs1)c1c([nH]c(=S)[nH]c1=O)N2 44973858 LYUAULAOBACAPB-NSHDSACASA-N 331.422 3.058 30 40 EGEB C=CCOC[C@H]1CN(Cc2ccsc2)Cc2nnn(CC3CC3)c21 96045635 YMHQIKIHXWMUIM-MRXNPFEDSA-N 344.484 3.052 30 40 EGEB Cc1ccc(-n2nc(C#N)c(N3CCc4ccccc4C3)n2)cc1C 256047966 PSFNKTZBBBFOOF-UHFFFAOYSA-N 329.407 3.319 30 40 EGEB C=C(C)Cn1c([C@H](C)c2cnn(C)c2)nnc1N1CCc2ccccc21 1122559887 OZZWGBAMIOPELU-OAHLLOKOSA-N 348.454 3.434 30 40 EGEB C#CCn1c([C@@H]2CC(=O)N(c3cccc(OC)c3)C2)nc2ccccc21 14095663 VFMPUMBEFOXWRG-OAHLLOKOSA-N 345.402 3.199 30 40 EGEB N#Cc1c(NC(=O)c2ccc3c(c2)OCO3)sc2c1CCCC2 35609 QGQFJDLDUVTANZ-UHFFFAOYSA-N 326.377 3.480 30 40 EGEB N#CC1(C(=O)Nc2cccc(NC(=O)c3ccncc3)c2)CCCC1 32451357 HBZMEVIUQINFDV-UHFFFAOYSA-N 334.379 3.356 30 40 EGEB Cc1cccc(C/C(O)=N/S(=O)(=O)c2cccc3cnccc23)c1 78527810 LFBULUBBYHCQRK-UHFFFAOYSA-N 340.404 3.431 30 40 EGEB N#Cc1cc([N+](=O)[O-])ccc1NCCc1nnc(-c2ccccc2)o1 78990264 OJBYQFDVXJPFTF-UHFFFAOYSA-N 335.323 3.171 30 40 EGEB CCN(C)C[C@@H]1CCN(C(=O)Nc2cc(C#N)ccc2SC)C1 95963836 MIBILDJYSCOVOA-AWEZNQCLSA-N 332.473 3.086 30 40 EGEB O=C1CCC[C@@H]1/C(=N/N=c1\[nH]c2ccccc2s1)C(F)(F)F 25185907 FMOFOTFRZCGYAB-PCYGDGQFSA-N 327.331 3.418 30 40 EGEB C=CCOc1cccc(C=C2C(=O)OC3(CCCCC3)OC2=O)c1 58865654 QPPPPOQEHJEFIR-UHFFFAOYSA-N 328.364 3.395 30 40 EGEB N=C1S/C(=C\c2ccc3c(c2)OCO3)C(=O)[C@@H]1c1nccs1 107748536 AGKNFJBRKKSKCB-KCIPCDFZSA-N 330.390 3.290 30 40 EGEB N#CCOc1ccc2c(=O)c(-c3ccc4c(c3)OCCO4)coc2c1 2407695 HCOPPQBEOPYJNS-UHFFFAOYSA-N 335.315 3.134 30 40 EGEB biogenic CNC(=O)[C@@H](C#N)C(=O)c1ccc(Oc2ccc(Cl)cc2)c(F)c1 102700083 KCYZNLKZVYCYMH-ZDUSSCGKSA-N 346.745 3.340 30 40 EGEB C=CCOc1ccc(CN(C)CC(=O)N[C@@H]2CCCC[C@H]2C)cc1 7579887 ZOYVNIKQRHQQMD-VQIMIIECSA-N 330.472 3.378 30 40 EGEB CCCN(CCC)C(=O)CCC(=O)[C@H](C#N)c1nc2ccccc2o1 69629741 TYCXULYTYKWMID-AWEZNQCLSA-N 341.411 3.433 30 40 EGEB C=CCOc1ccccc1C(=O)Nc1cnn(Cc2cccnc2)c1 69843690 NKUVRSIRHWQIGA-UHFFFAOYSA-N 334.379 3.144 30 40 EGEB CCOC(=O)Nc1ccc(NCc2cn3ccccc3n2)cc1C#N 97051343 SNZJNJGCDRPZTP-UHFFFAOYSA-N 335.367 3.386 30 40 EGEB CC(C)(C)n1cc(C#N)cc1NC(=O)CSCc1ccccn1 72271660 ZWOFBJZSCXXUMW-UHFFFAOYSA-N 328.441 3.382 30 40 EGEB N#C[C@@H](C(=O)c1cnc(-c2ccc3c(c2)OCO3)s1)c1ccccn1 72270928 SSUIGDJJGRZBLR-GFCCVEGCSA-N 349.371 3.424 30 40 EGEB CCOC(=O)c1sc(NC(=O)c2sc(C)nc2C)c(C#N)c1C 36686017 GHVCMUDASYRQRX-UHFFFAOYSA-N 349.437 3.431 30 40 EGEB CO[C@](C)(/C(O)=N/S(=O)(=O)c1ccc(C)s1)c1ccccc1 78611896 ZAFQYVSWFGCJME-HNNXBMFYSA-N 339.438 3.264 30 40 EGEB N#Cc1cnc(N[C@H]2CCCN(C(=O)c3ccccc3)C2)c(Cl)c1 79353780 KDFHKSBEOORTHJ-HNNXBMFYSA-N 340.814 3.323 30 40 EGEB N#CC1(C#N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 218054685 NHEULVPMMNQAKI-HOTGVXAUSA-N 342.807 3.313 30 40 EGEB N#CCCN1CCC(C(=O)Nc2ccc(Br)cc2)CC1 49750661 XTSRVQSSPODBTJ-UHFFFAOYSA-N 336.233 3.013 30 40 EGEB CC(C)OC(=O)C[C@H]1CCCN(c2ccc(C#N)cc2[N+](=O)[O-])C1 274222640 NYSQRHFMCOARTK-CQSZACIVSA-N 331.372 3.025 30 40 EGEB CN(Cc1ccc(N2CCOCC2)cc1)Cc1cc(C#N)ccc1F 57710629 WLTCYTPIMBLNMR-UHFFFAOYSA-N 339.414 3.166 30 40 EGEB COc1ccccc1/C=C1\Oc2cc(O[C@H](C)C(=O)O)ccc2C1=O 11866286 KNLZUVBTFYOPLK-JWHLFPLYSA-N 340.331 3.163 30 40 EGEB biogenic COCc1ccc(CNC(=O)Nc2cc(C#N)ccc2OC)cc1 50108215 CRMKLRDUTUNQJJ-UHFFFAOYSA-N 325.368 3.035 30 40 EGEB N#Cc1ccc([N+](=O)[O-])c(CS(=O)(=O)c2ccc(Cl)cc2)c1 170253 PVPCMUVBNRJNSN-UHFFFAOYSA-N 336.756 3.094 30 40 EGEB Cn1ccnc1[C@@H](NC(=O)Nc1ccc(C#N)cc1)c1ccc(F)cc1 12535685 DTNHYYNLBMCAKS-KRWDZBQOSA-N 349.369 3.342 30 40 EGEB N#Cc1nc(-c2cccnc2)oc1NC[C@@H](c1ccco1)N1CCCC1 35672559 CAZUOFUZMZDVIC-INIZCTEOSA-N 349.394 3.450 30 40 EGEB COc1ccccc1C1CC(=O)C(=C2Nc3ccccc3N2)C(=O)C1 9287735 CNVGHDHCHNCYIK-UHFFFAOYSA-N 334.375 3.460 30 40 EGEB CC(C)(/C(O)=N/S(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 58341545 RUEAEHMJFOHVAV-UHFFFAOYSA-N 328.393 3.181 30 40 EGEB Cc1cccc(NC(=O)CN(C)Cc2cc(C#N)ccc2F)c1C 12688539 XSZHLCHZAYHNKD-UHFFFAOYSA-N 325.387 3.385 30 40 EGEB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(Cc2ccc(C#N)cc2)C1=O 2644478 FOBKQOYKKRGANS-IBGZPJMESA-N 337.354 3.055 30 40 EGEB CC(=O)Oc1ccc2c(c1C)O/C(=C\c1ccc3c(c1)OCO3)C2=O 6167239 NIYQTDYBNNFHIP-IUXPMGMMSA-N 338.315 3.265 30 40 EGEB biogenic COc1ccc(-c2nn(C)c3c2/C(=N\O)c2ccccc2-3)cc1OC 5200253 GPDBJJNTRIJWCH-UZYVYHOESA-N 335.363 3.311 30 40 EGEB C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(N2CCCC2=O)c1 6988343 IXOZUWBCHWHZIL-AWEZNQCLSA-N 349.390 3.091 30 40 EGEB C=CCNC(=O)C(=O)c1c(-c2ccc(OCC)cc2)cc2ccccn12 408680057 YFIJEHDPENLBCX-UHFFFAOYSA-N 348.402 3.490 30 40 EGEB O=S(=O)(/N=C(\O)C=C(C1CC1)C1CC1)c1cccc2nsnc12 54429440 VUQHTZDRZZEBNR-UHFFFAOYSA-N 349.437 3.083 30 40 EGEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4C[C@H](C)O[C@H](C)C4)[C@H]3C[C@@H]12 19703265 CNUKCRQWTYDAEH-RLJYVQKJSA-N 347.499 3.410 30 40 EGEB biogenic C#CCn1/c(=N/C(=O)c2cccc(F)c2)sc2cccc(OC)c21 100909892 XDBOJVJMSADXOD-ZZEZOPTASA-N 340.379 3.225 30 40 EGEB O=C(/C=N/Nc1ncc(C(F)(F)F)cc1Cl)c1ccccn1 1383330 YMZYHDROAAZMAJ-IFRROFPPSA-N 328.681 3.429 30 40 EGEB N#C[C@@H]1CSCCN1C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 108162742 UJWKHXKGJJZQCC-RAIGVLPGSA-N 340.370 3.276 30 40 EGEB N#Cc1ccc(N2CCN(C(=O)c3cccc4ccccc34)CC2)nc1 12907029 LPUJNOSTMGZZCJ-UHFFFAOYSA-N 342.402 3.069 30 40 EGEB C=CCn1c(SCc2nc(CCC)no2)nc2sccc2c1=O 13002321 BDYKXQSOOPSPAJ-UHFFFAOYSA-N 348.453 3.272 30 40 EGEB N#CC1(NC(=O)CSc2ncnc3sccc23)CCCCC1 6115579 FFNHNPAGVRWJRV-UHFFFAOYSA-N 332.454 3.126 30 40 EGEB Cc1ccc(Cn2nc(C)c3cc(C(=O)OCC#N)sc32)cc1 6397448 PWJOPPCSULHSNZ-UHFFFAOYSA-N 325.393 3.443 30 40 EGEB CC(C)c1ncc(Cl)c(C(=O)Nc2nn(C(C)C)cc2C#N)n1 84631229 CJKUEWASYYKQQJ-UHFFFAOYSA-N 332.795 3.155 30 40 EGEB CC(=O)NC1=C(Nc2cc(C)ccc2C)C(=O)c2ccccc2C1=O 5570790 HFZVDSCZFYYUJR-UHFFFAOYSA-N 334.375 3.142 30 40 EGEB COc1cc(/C=C/C(=O)NCC2CCCCC2)ccc1OCC#N 6640573 IIYGDDZZZZDQQI-CSKARUKUSA-N 328.412 3.307 30 40 EGEB CCC(=O)N1CCC[C@@H](C(=O)[C@H](C#N)c2nc3ccccc3s2)C1 69655722 XSBAIEZAXSHWMP-OLZOCXBDSA-N 341.436 3.121 30 40 EGEB C=CCN(C(=O)c1cnc(C)s1)[C@@H]1CCN(Cc2ccccc2)C1 69740752 SDHVLCIIPLPANW-QGZVFWFLSA-N 341.480 3.354 30 40 EGEB CN1/C(=C\C(=O)COC(=O)c2cccnc2)C(C)(C)c2ccccc21 18085505 CXHSNCLSIWTYRG-WQRHYEAKSA-N 336.391 3.119 30 40 EGEB CCc1cnc(CN(C)C(=O)N[C@@H](C)c2ccc(C#N)cc2)s1 75092107 WTBVIBHKXXZHKG-LBPRGKRZSA-N 328.441 3.480 30 40 EGEB COc1cccc(/N=C/c2cccc(OC)c2O[C@H](C)C(=O)O)c1 409239388 PTNWQLAYMSNWSO-ZGXHQARYSA-N 329.352 3.306 30 40 EGEB O=[N+]([O-])c1cc(/C=N\Nc2ccc(C(F)(F)F)cn2)ccc1O 34878038 CMESKJFMCVKHIZ-FXBPXSCXSA-N 326.234 3.160 30 40 EGEB CN(C(=O)c1cnccc1C#N)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C 580387474 NPILMZPVPBTHJX-MSOLQXFVSA-N 335.407 3.271 30 40 EGEB C[C@@H](C=C1CCN(C(=O)OCc2ccccc2)CC1)[C@H](C)C(=O)NO 257247158 IXSRXDKUAIYCID-GJZGRUSLSA-N 346.427 3.123 30 40 EGEB C[C@@H](c1cccc(C(F)(F)F)c1)N(CC(=O)NCCC#N)C1CC1 54396506 MYXSLVFXNGCMQM-LBPRGKRZSA-N 339.361 3.261 30 40 EGEB C#CCN(Cc1cc(=O)n2c(C)csc2n1)[C@H]1CCc2ccccc21 47405903 CWMQAYXTXKCYKO-SFHVURJKSA-N 349.459 3.187 30 40 EGEB C=CCSc1nnc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)s1 6586624 NXYDUVHRCWTJOO-UHFFFAOYSA-N 336.398 3.285 30 40 EGEB CCCN(CC#N)C(=O)c1cccc(CSc2nccn2C)c1 58394037 ICFJGWDJEZTVIH-UHFFFAOYSA-N 328.441 3.088 30 40 EGEB O=C1ON=C(c2ccccc2)/C1=C/c1cc(Br)ccc1O 59516381 BMIZJQOQSHQQME-LCYFTJDESA-N 344.164 3.499 30 40 EGEB CN1CCN(/C(=N/c2ccccc2)NCc2ccc(Cl)cc2)CC1 5525448 WUVHARLJALGHSO-UHFFFAOYSA-N 342.874 3.365 30 40 EGEB Cc1ccc(S(=O)(=O)N2CCS/C2=N\c2ccccc2)cc1 5600945 IIQDOZJHOPUFFT-MSUUIHNZSA-N 332.450 3.420 30 40 EGEB O=[N+]([O-])c1ccc(/N=C\c2ccc(N3CCOCC3)c(F)c2)cc1 409145886 SIZXQVULTKGJJA-UNOMPAQXSA-N 329.331 3.321 30 40 EGEB O=C1c2ccccc2C(=O)N1/N=C\c1cc(Cl)cc(Cl)c1O 71782884 OXEQBGOMYAVJJM-WSVATBPTSA-N 335.146 3.329 30 40 EGEB C#C[C@H](NC(=O)c1cccc(SC(F)(F)F)c1)C1CCOCC1 583651597 OYKOZAPCXYLTQK-AWEZNQCLSA-N 343.370 3.457 30 40 EGEB C#CCOc1cc(F)ccc1NC(=O)N[C@H](C)Cc1c(C)noc1C 72303963 JLUUXNLRAFHPFG-LLVKDONJSA-N 345.374 3.195 30 40 EGEB C#CCOc1ccc(N(C)C(=O)c2ccc(-c3nc(C)n[nH]3)cc2)cc1 73477056 KXELXVAUGRFQQP-UHFFFAOYSA-N 346.390 3.069 30 40 EGEB CC1=C(Cl)C(=O)C(C(C)C)=C/C1=N\S(=O)(=O)c1ccccc1 16779916 PEJAOZNZOJDNDW-NBVRZTHBSA-N 337.828 3.494 30 40 EGEB N#Cc1nc2c([n+]([O-])c1N)CCC/C2=C/c1ccc(Cl)c(Cl)c1 17060334 COKQDUJJJVHMSP-POHAHGRESA-N 347.205 3.353 30 40 EGEB N#Cc1cc(Br)ccc1OCC(=O)Nc1ccccc1 551564 JUXWIHQNPXXYBU-UHFFFAOYSA-N 331.169 3.338 30 40 EGEB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1sc2c(c1C#N)CCC2 78273165 AKFFRONOAKEOGA-MGPLVRAMSA-N 340.404 3.275 30 40 EGEB N#Cc1ccc(COc2ncnc3c2cnn3-c2ccccc2)cc1 3361096 OPYKWPYBLVXWOI-UHFFFAOYSA-N 327.347 3.266 30 40 EGEB Cc1ccc(N2CC[C@H](N[C@@H](C)c3ccc(OCC#N)cc3)C2=O)cc1 95404406 BSPIDVVDIRSPGK-JXFKEZNVSA-N 349.434 3.354 30 40 EGEB C/C(=C\C(=O)c1c(O)c2ccccc2n(C)c1=O)Nc1cccc(N)c1 100260782 ANORAVFXUCPXIY-ZRDIBKRKSA-N 349.390 3.025 30 40 EGEB CCc1nc2scc(-c3ccccc3)c2c(=O)n1/N=C/N(C)C 4071369 ZHTAOPFEESBOIJ-WOJGMQOQSA-N 326.425 3.040 30 40 EGEB N#Cc1ccc(C(F)(F)F)nc1N[C@H](CO)c1ccc(F)cc1 71909391 HPHJTEGYSFMGPY-GFCCVEGCSA-N 325.265 3.257 30 40 EGEB CC(=O)Nc1ccc2nc(NC(=O)c3sccc3C#N)sc2c1 75582465 JITHQNYYIQVFOA-UHFFFAOYSA-N 342.405 3.440 30 40 EGEB CCOc1c(OC)cc(C#N)cc1C(=O)Nc1ccc(OC)cc1 408582736 PRKSIBMDOJBBLE-UHFFFAOYSA-N 326.352 3.226 30 40 EGEB O=C[C@@H]1[C@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 218671290 URYHGLJASKDYSV-PMPSAXMXSA-N 338.787 3.234 30 40 EGEB N#Cc1c(F)cccc1S(=O)(=O)N1CCC[C@H]1c1ccsc1 96427728 HIDCOKJLXWRIFD-AWEZNQCLSA-N 336.413 3.285 30 40 EGEB Cc1cc(C)c(C#N)c(N2CCC(NC(=O)OC(C)(C)C)CC2)n1 77192181 IYSOCJIJSHTZAP-UHFFFAOYSA-N 330.432 3.064 30 40 EGEB Cc1ccc(O)c([C@@H]2C3=C(Nc4[nH]nc(O)c42)c2ccccc2C3=O)c1 18196218 GHFONLVPGTTXLS-CQSZACIVSA-N 345.358 3.294 30 40 EGEB CN(C)CCNc1cc(C(F)(F)F)c(C#N)c2nc3ccccc3n12 85719 YUEDSSHBKXZIKM-UHFFFAOYSA-N 347.344 3.351 30 40 EGEB NC(=O)c1c(/N=C/c2ccccc2[N+](=O)[O-])sc2c1CCCC2 580360 ABRSZJDFFLOVTR-GIJQJNRQSA-N 329.381 3.385 30 40 EGEB Cc1cc(C)c(C#N)c(SCC(=O)N(C)Cc2ccc(F)cc2)n1 10267209 RMENDNXGXHZWOB-UHFFFAOYSA-N 343.427 3.460 30 40 EGEB N#Cc1ccc(OC(=O)c2ccccc2I)cc1 3360421 ZELZHZAKKLBTDB-UHFFFAOYSA-N 349.127 3.382 30 40 EGEB COc1ccc(/C=N/Nc2ccc3nnc(-c4ccccc4)n3n2)cc1 4693994 YJRCWMKFVSWZGE-DEDYPNTBSA-N 344.378 3.246 30 40 EGEB CC(C)Cn1ncc(/C(O)=N/S(=O)(=O)c2ccccc2)c1C1CC1 95454193 BUOSXGMHXGUKPX-UHFFFAOYSA-N 347.440 3.110 30 40 EGEB CCCOc1ccc([C@@H](C)NC(=O)N2CCC(C#N)CC2)cc1OC 69420269 NUZQNOXTMZFPRH-CQSZACIVSA-N 345.443 3.490 30 40 EGEB CCOC(=O)c1ccc2c(c1)CCCN2C(=O)c1cc(C#N)cs1 95412747 RVEFYSBWBJUIJC-UHFFFAOYSA-N 340.404 3.389 30 40 EGEB N#Cc1ccccc1N1CCC(NC(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 72293135 LGIPDFBRHGJMGN-UXHICEINSA-N 345.446 3.447 30 40 EGEB CCC(CC)[C@@H]1C[C@H](NC(=O)NCc2ccc(C#N)cc2F)CCO1 181908075 FSMITZSYFPQUNS-AEFFLSMTSA-N 347.434 3.480 30 40 EGEB C=CCn1c(CCCC)nnc1SCC(=O)NC1CCCCC1 408560892 QNOSVNBZSUANNC-UHFFFAOYSA-N 336.505 3.348 30 40 EGEB N#CCCN(Cc1cccnc1)C(=O)c1ccc(C(F)(F)F)cc1O 182023626 FDPGQZRQNWXASG-UHFFFAOYSA-N 349.312 3.362 30 40 EGEB CCCCn1c(C#N)cc(N)c1N1CCN(c2ccc(F)cc2)CC1 225870691 AHOGIWNPLPSFHL-UHFFFAOYSA-N 341.434 3.208 30 40 EGEB C=CCN(c1cccc(F)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225006840 SAQKPJNIXMJCKA-UHFFFAOYSA-N 336.344 3.115 30 40 EGEB C=CCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(C)cc1 13995743 TYHBZMKGNQVXAS-HNNXBMFYSA-N 338.407 3.317 30 40 EGEB CSc1nc2n(n1)[C@H](c1ccccc1)C1=C(C[C@@H](C)CC1=O)N2 14164832 XSIVVLIVQSVRMM-MEBBXXQBSA-N 326.425 3.268 30 40 EGEB CCOC(=O)C/C(C)=N/Nc1cc(Br)ccc1[N+](=O)[O-] 16682225 UCJCAQTXHHJMTO-RIYZIHGNSA-N 344.165 3.098 30 40 EGEB COc1cccc(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)c1O 18068894 BMWGNOYZNHYZSY-NTEUORMPSA-N 344.367 3.432 30 40 EGEB C=CCOc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)NC1=S 2689127 BFFDDMAYTZFJKN-XFFZJAGNSA-N 338.435 3.449 30 40 EGEB COc1cccc(OC[C@@H]2CCCN(Cc3cccc(C#N)c3)C2)n1 1889134503 ZIUNUACZOSEZLG-GOSISDBHSA-N 337.423 3.253 30 40 EGEB CCCc1nc2ccccc2c(=O)n1/N=C/c1ccc(N(C)C)cc1 535235 KVANOAPQZNWEPN-KGENOOAVSA-N 334.423 3.297 30 40 EGEB C[C@@H](NCc1nnc2n1C[C@H](C(F)(F)F)CC2)c1ccc(C#N)cc1 78890634 JJRLANDXWXCYHK-BXUZGUMPSA-N 349.360 3.125 30 40 EGEB O=C1ON=C(c2ccccc2)/C1=C/Nc1cc(Cl)ccc1C(=O)O 101662236 CNLIPUOCANBBHC-LCYFTJDESA-N 342.738 3.295 30 40 EGEB C=CCOc1ccc(C(=O)NCc2ccn(C3CCCC3)n2)cc1 84638176 GPYGFXYSZIHWTN-UHFFFAOYSA-N 325.412 3.493 30 40 EGEB C[C@H](NC(=O)c1occc1COc1cccc(C#N)c1)[C@@H]1CCCO1 65564417 DXVHQTIZPBGDSZ-GUYCJALGSA-N 340.379 3.028 30 40 EGEB COc1ccc(CCC(=O)OCc2cn3ccccc3c2C#N)cc1 14852618 SSXCIZGFUWYDPK-UHFFFAOYSA-N 334.375 3.496 30 40 EGEB N#CCC[C@@H](NC(=O)N1CCC(n2cccn2)CC1)c1ccccc1 96483310 ROXFNCKEYPYKEI-GOSISDBHSA-N 337.427 3.275 30 40 EGEB COc1cc(/C=N/N2CCCCC2)ccc1OC(=O)c1cccnc1 7777961 PJLABWMEVAJPIY-FYJGNVAPSA-N 339.395 3.129 30 40 EGEB C#CCN(Cc1ccco1)C(=O)N[C@@H]1CCC[C@H]1Oc1ccccc1 72281539 PLMJEBCNSFOWDC-RTBURBONSA-N 338.407 3.425 30 40 EGEB C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(Cc2cccc(C#N)c2)C1=O 24980574 FEFSDIQZNDPBON-OAQYLSRUSA-N 345.402 3.014 30 40 EGEB C=CCn1c(CSc2ccc(C)cc2)nnc1SCC(=O)O 26468990 OZBGKPJWOBQPIM-UHFFFAOYSA-N 335.454 3.242 30 40 EGEB N#Cc1cccc(NC(=O)CCSc2ncn(-c3ccccc3)n2)c1 41906269 WBWNYYHMSDEKAV-UHFFFAOYSA-N 349.419 3.260 30 40 EGEB C/C(=N\C[C@H](C)/N=C(\C)c1ccc(O)cc1O)c1ccc(O)cc1O 255188297 JHVSXISINWTVMO-WRMQIEIVSA-N 342.395 3.216 30 40 EGEB N#CCN(Cc1ccccc1)C(=O)c1ccc(-n2cccn2)c(F)c1 69776295 AVGIEJBSJGYWBM-UHFFFAOYSA-N 334.354 3.177 30 40 EGEB C#CCn1c([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)nc2ccccc21 7544886 VEYYGWMAENCBNB-CQSZACIVSA-N 333.366 3.329 30 40 EGEB N#Cc1cccc(NC(=O)Nc2cccn(Cc3ccccc3)c2=O)c1 1354044 SABKFRKAAPJAIJ-UHFFFAOYSA-N 344.374 3.412 30 40 EGEB CN1C(=O)[C@@](Cl)(C#N)[C@@H](c2ccccc2)N(C)[C@H]1c1ccccc1 1580597 XIJSAIBUDIFEMO-ZHALLVOQSA-N 339.826 3.331 30 40 EGEB CCCCS[C@@H](C)/C(O)=N/S(=O)(=O)c1ccc(C#N)cc1 58225144 QZSBXKJXLBJGQN-NSHDSACASA-N 326.443 3.125 30 40 EGEB COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(C)c3)n2)cc1 58265416 PWJRKFUWRYMRON-AWEZNQCLSA-N 338.392 3.042 30 40 EGEB CC[C@@H](C)n1c(SCC(=O)NCCC#N)nnc1-c1ccccc1 58209290 ZWBLDYMZAPBYRB-CYBMUJFWSA-N 343.456 3.038 30 40 EGEB Cc1[nH]c2ccccc2c1/C=N/N1C(=O)[C@@H]2[C@@H](C1=O)[C@@H]1C=C[C@@H]2C12CC2 100563088 HFFAZLHMEAXMCV-MJBRGROXSA-N 345.402 3.007 30 40 EGEB N#CCc1cccc(/C(O)=N/S(=O)(=O)c2cccc(Cl)c2)c1 48496551 PQJDFAFEKVCZOI-UHFFFAOYSA-N 334.784 3.100 30 40 EGEB O=[N+]([O-])c1ccccc1C=Nn1c(-c2ccccc2)n[nH]c1=S 13111801 RUSPVQCGHLYGOS-UHFFFAOYSA-N 325.353 3.398 30 40 EGEB CC1=C2[C@H]3OC(=O)[C@@H](CN4CCC(C)CC4)[C@@H]3CC[C@@]2(C)C=CC1=O 4027355 ZJROUBPRRNRLJU-UGJIMAENSA-N 343.467 3.132 30 40 EGEB biogenic CC[C@H](CC#N)NC(=O)Nc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 97377725 NIKVBZDRMOWLTA-BFYDXBDKSA-N 344.459 3.110 30 40 EGEB COc1ccc(/C=C/C(=O)C(C(=O)O)=C2SCCCS2)cc1 62716086 OXMZTXIGIPFCHC-VMPITWQZSA-N 336.434 3.444 30 40 EGEB CC1=CC[C@@H](/C(C)=C/CC/C(C)=C/[C@H]2C(=O)C(C)=C[C@H]2O)OC1=O 77257485 FPIGZCFWUBVDJZ-YEJFHUOFSA-N 330.424 3.427 30 40 EGEB biogenic,in-vitro COc1ccc([C@H]2[C@@H](C#N)[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1 218106684 OXOYUCWPLXEMDI-SQNIBIBYSA-N 327.405 3.083 30 40 EGEB Cn1c([C@@H](C#N)C(=O)c2cc(-c3ccccc3)[nH]n2)nc2ccccc21 122197196 SOQUOSWPLFGWRD-AWEZNQCLSA-N 341.374 3.453 30 40 EGEB COc1ccnc(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)c1 96407180 MIBWMEJWUDFOIY-UHFFFAOYSA-N 349.312 3.167 30 40 EGEB CC[C@H](C)n1nccc1NC(=O)[C@@H](C)N(C)Cc1ccc(C#N)cc1 65590572 RKCJQVBPKKOHGY-LSDHHAIUSA-N 339.443 3.185 30 40 EGEB CC/N=C(/NCCC(F)(F)F)NC[C@H]1CCO[C@H]1c1ccccc1 85101881 GQHYFXJPLNYQFM-CABCVRRESA-N 343.393 3.272 30 40 EGEB N#Cc1ccc(CCC(=O)NCc2ccnc(-c3ccco3)c2)cc1 225655764 QDSVNVNTUAKYLL-UHFFFAOYSA-N 331.375 3.462 30 40 EGEB N#C[C@@H](C(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccn1 103717490 ZHRBSNRGGFHCBC-NSHDSACASA-N 348.189 3.278 30 40 EGEB N#Cc1ccccc1OCC(=O)Nc1nc(-c2ccccn2)cs1 6830906 DQSFNIGSUZIHJD-UHFFFAOYSA-N 336.376 3.094 30 40 EGEB Cc1ccsc1C(=O)OCC(=O)N(CCC#N)c1ccccc1 3303530 QNLCVZXPAHMSPV-UHFFFAOYSA-N 328.393 3.160 30 40 EGEB N#Cc1cnn(-c2ccc(C(=O)N3CCC[C@@H]3C3CCCC3)cc2)c1N 66240991 IUPHARCBLKTHPJ-GOSISDBHSA-N 349.438 3.121 30 40 EGEB CCCCCn1cnnc1S[C@H](C)C(=O)Nc1ccccc1C#N 7135767 DLVQRDFEWXXZJL-CYBMUJFWSA-N 343.456 3.459 30 40 EGEB C=CCO[C@H](C)C(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1 69617115 AJCGGJXICFGKAY-GFCCVEGCSA-N 343.383 3.056 30 40 EGEB O=C1CCCC2=C1[C@H](c1c(Cl)cccc1Cl)n1nnnc1N2 18196010 PXSUJXPJWDUEQU-ZDUSSCGKSA-N 336.182 3.002 30 40 EGEB CC[C@@H](N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1cnn(C)c1 97016865 PRNBPWOIAQJXHT-SJLPKXTDSA-N 341.434 3.141 30 40 EGEB C[C@@H](NC1(CNc2ncccc2C#N)CCOCC1)c1ccccc1 72282328 MPPOXUXWCCZDON-MRXNPFEDSA-N 336.439 3.265 30 40 EGEB N#C[C@@H](NC(=O)CCCn1cccc1)c1cccc(Br)c1 95979683 PGOUULOYAARHCP-OAHLLOKOSA-N 346.228 3.412 30 40 EGEB N#Cc1cccc(CN2CCC(Nc3ncnc4c3CCCC4)CC2)c1 593514476 CBITZXSDPMTYET-UHFFFAOYSA-N 347.466 3.304 30 40 EGEB Cn1c(N/N=C/c2ccc(O)c(Br)c2)nc2ccccc21 7343317 QQHWEAXLKMMDGQ-RQZCQDPDSA-N 345.200 3.487 30 40 EGEB C=CCOc1cccc(NS(=O)(=O)c2cc(OC)ccc2OC)c1 57124062 ULUNJCSTOMMSQY-UHFFFAOYSA-N 349.408 3.069 30 40 EGEB N#CCSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1 2616644 CNWOPOLGGYRXJO-UHFFFAOYSA-N 336.376 3.279 30 40 EGEB C[C@@H]1CCCN(CCCCNC(=O)CCc2ccc(C#N)cc2)C1 46990416 OKAPIZAEKMXJRZ-QGZVFWFLSA-N 327.472 3.119 30 40 EGEB CC(C)(C)c1ncc(/C(O)=N/S(=O)(=O)c2cccc(C#N)c2)s1 63235002 GRPIMBGGHCAPFF-UHFFFAOYSA-N 349.437 3.006 30 40 EGEB CCCC[C@@H](CC)CN1CC(=O)C(c2nc3ccccc3[nH]2)=C1N 5009544 AQWJTTFKLWETEW-CYBMUJFWSA-N 326.444 3.291 30 40 EGEB N#CC1(NC(=O)c2cc(Cl)c3ccccc3c2O)CCOCC1 94151340 BFQBEQFFRJOGOQ-UHFFFAOYSA-N 330.771 3.001 30 40 EGEB COc1cc(C#N)ccc1Oc1ccc(N[C@@H]2C[C@@H](C)OC2=O)cc1 71902663 QFHFYDGOMQULAA-MLGOLLRUSA-N 338.363 3.475 30 40 EGEB Cc1cc(-n2cncn2)ccc1C(=O)Nc1ccc(C#N)c(Cl)c1 75091984 IFUFEIKJNZMJOI-UHFFFAOYSA-N 337.770 3.353 30 40 EGEB COc1ccc(C(=O)N(CC2CC2)c2cc(Cl)ccc2C#N)nn1 83969952 JEMFYOAHILYXRF-UHFFFAOYSA-N 342.786 3.067 30 40 EGEB C[C@@H](C1CC1)N(CCC#N)S(=O)(=O)c1ccc(F)cc1Cl 69619854 SDLKECCGLFCHOC-JTQLQIEISA-N 330.812 3.182 30 40 EGEB N#C[C@@H](C(=O)c1cc2c(s1)CCC2)c1nnc2n1CCCCC2 84338860 JGMONKCJAGTGAB-LBPRGKRZSA-N 326.425 3.045 30 40 EGEB C=CCN1CCc2cc(-c3cncn3CC(=O)NC(C)(C)C)ccc21 36752036 TUAFTCLZWOVUGB-UHFFFAOYSA-N 338.455 3.013 30 40 EGEB Cc1cc(Cl)c2ncc(C#N)c(N(C)CC3(O)CCOCC3)c2c1 225778390 BURSZKZJDGYLHN-UHFFFAOYSA-N 345.830 3.046 30 40 EGEB Cc1n[nH]c(-c2ccc(C(=O)OC[C@@H](C#N)Cc3ccccc3)cc2)n1 96470556 DKGKQEYBBRXAOK-MRXNPFEDSA-N 346.390 3.319 30 40 EGEB C=CCOc1ccccc1NC(=O)c1nnn(-c2ccccc2)c1C 12204296 FHFXBFJMASYVBG-UHFFFAOYSA-N 334.379 3.393 30 40 EGEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCCc1c[nH]c2ccccc12 17295346 HMBPIVUDAWWHIZ-CQSZACIVSA-N 333.391 3.166 30 40 EGEB N#Cc1ncccc1N1CCC[C@H](COc2ncccc2Cl)C1 2298192549 NZOHJSFVMFFTKO-ZDUSSCGKSA-N 328.803 3.297 30 40 EGEB N#CCC[C@H](C#N)CN1CCN(C(=O)c2cccc3ccccc23)CC1 40497404 LGIUPFUTQGWUCA-QGZVFWFLSA-N 346.434 3.041 30 40 EGEB COc1cccc(NC(=O)[C@H](C#N)Cc2ccc(OC)c(OC)c2)c1 237187 GBQSKLJRINABSV-AWEZNQCLSA-N 340.379 3.033 30 40 EGEB N#C[C@@H](C(=O)NC1CCCCC1)C(=O)c1ccc(Br)cc1 103503801 UBLXHYVFVUVZBF-CQSZACIVSA-N 349.228 3.220 30 40 EGEB N#CCN(Cc1ccccc1)C(=O)c1cnc(-c2ccccc2)nc1 58282766 FLMKYBMHIMJXRZ-UHFFFAOYSA-N 328.375 3.310 30 40 EGEB COc1cc([C@H](C)Nc2ccc(C#N)cc2F)ccc1OCCO 58418450 BDARTVQLJCDMDZ-LBPRGKRZSA-N 330.359 3.250 30 40 EGEB C[C@H](CC#N)N(C)C(=O)c1cnc(OCC(F)(F)F)c(Cl)c1 65591454 PWMZOHQVBKGYBR-MRVPVSSYSA-N 335.713 3.050 30 40 EGEB CCOc1ccc(NC(=S)N/N=C2/CC(=O)c3ccccc32)cc1 4868680 VQJVNLICIOQKCA-SILNSSARSA-N 339.420 3.362 30 40 EGEB CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1cc2ccccc2s1 6605733 AOSQFKCEKTXUPG-KRWDZBQOSA-N 330.409 3.113 30 40 EGEB N#CCCn1ncc2c(N3CCC[C@H]3c3ccc(F)cc3)ncnc21 97199911 JOBIGDADZKDART-INIZCTEOSA-N 336.374 3.221 30 40 EGEB C=CCN1C(=O)CCCC12CCN(C(=O)c1ccc(C)cc1)CC2 96158597 NODBTBJCDHDXSW-UHFFFAOYSA-N 326.440 3.168 30 40 EGEB CC(C)(C)OC(=O)N1CCc2ncc(N[C@@H]3CC[C@H](C#N)C3)cc2C1 1615585254 QNVSDGDSICISJS-DZGCQCFKSA-N 342.443 3.479 30 40 EGEB Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1CC(=O)N(C)C1 56470161 JXDGCJYXSFMWMH-HNNXBMFYSA-N 349.390 3.076 30 40 EGEB Oc1ccc(Br)cc1/C=N/Nc1ccc(Cl)nn1 4926885 ZNXZHVRYAUSCQV-MKMNVTDBSA-N 327.569 3.044 30 40 EGEB C#CCNCc1cn(Cc2ccccc2)nc1-c1cccc(OC)c1 23819126 JQKVUTFIQVWAKI-UHFFFAOYSA-N 331.419 3.330 30 40 EGEB COc1ccc(NC(=O)[C@@H](C#N)Cc2ccc(OC)c(OC)c2)cc1 237200 HLZIVGHFLFRXDE-CQSZACIVSA-N 340.379 3.033 30 40 EGEB Cc1csc(C/C(N)=N/OCc2cc(-c3ccccc3)on2)n1 54390683 ZSOJHZUYDDOYJY-UHFFFAOYSA-N 328.397 3.138 30 40 EGEB N#Cc1ccc(CN2CCN(c3ncccc3C(F)(F)F)CC2)cc1 47509321 KSNQREDNALJMRP-UHFFFAOYSA-N 346.356 3.294 30 40 EGEB N#CCCSc1nc2ccccc2c2nc(-c3cccnc3)nn12 9938013 FSQNZTSKCWVGRF-UHFFFAOYSA-N 332.392 3.345 30 40 EGEB Cc1nc(NC(=O)CN2CCc3ccccc32)sc1SCC#N 58341344 HPMFEGHKUXQUEN-UHFFFAOYSA-N 344.465 3.068 30 40 EGEB Cn1c([C@@H](C#N)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)nc2ccccc21 12603778 WILSGPDRFZKBCJ-SHQCLWGWSA-N 346.346 3.371 30 40 EGEB COc1cc(/C=N\Nc2ccccc2)ccc1OCC(=O)OC(C)C 408605867 ZAAZIMXXUJKTDG-NDENLUEZSA-N 342.395 3.472 30 40 EGEB N#Cc1cccc(NC(=O)CN2CCC(Cc3ccccc3)CC2)c1 7788124 AEBZBCPMBKMZES-UHFFFAOYSA-N 333.435 3.451 30 40 EGEB C[C@@H](CN(C)C)CN1c2ccccc2[S@](=O)c2ccc(C#N)cc21 65739496 KCPHNCFJFKSBMD-LFPIHBKWSA-N 339.464 3.374 30 40 EGEB in-vitro CCc1c(C(=O)N(CCC#N)Cc2ccccn2)[nH]c(C)c1C(C)=O 69515983 KRGDPBUVHWTWKW-UHFFFAOYSA-N 338.411 3.039 30 40 EGEB Cn1cnc2cc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)ccc21 97038919 UICMQNCATFESQT-GFCCVEGCSA-N 344.296 3.477 30 40 EGEB N#CCCN(C(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(F)cc1 78913053 HBRSNQCANZYFKN-UHFFFAOYSA-N 331.278 3.433 30 40 EGEB N#Cc1ccc(C(F)(F)F)nc1NCCCc1nnc2ccccn12 80609056 SHTSRSXPXGFOIT-UHFFFAOYSA-N 346.316 3.059 30 40 EGEB C=CCCc1ccccc1N=C(O)N1C[C@H](C)O[C@@]2(CCOC2)C1 330033236 XYYKGFVLQZNUMH-KXBFYZLASA-N 330.428 3.231 30 40 EGEB CC1=CC[C@H](/C(C)=C/CC/C(C)=C/[C@@H]2C(=O)C(C)=C[C@@H]2O)OC1=O 230162026 FPIGZCFWUBVDJZ-UVCOKSHTSA-N 330.424 3.427 30 40 EGEB biogenic,in-vitro O=C(O)CCC(=O)Nc1ccc(/N=C/c2ccc([N+](=O)[O-])cc2)cc1 4263777 FUYWNUOIPOWIHB-WOJGMQOQSA-N 341.323 3.149 30 40 EGEB C#Cc1cccc(NS(=O)(=O)c2ccc(OC)c3ncccc23)c1 32932383 XLPOUNWAGCBARZ-UHFFFAOYSA-N 338.388 3.026 30 40 EGEB CCOC(=O)/C(=N/Nc1cccc(C(F)(F)F)c1)N(CC)CC 33735586 LWMAPZPCCDRLFT-MOSHPQCFSA-N 331.338 3.336 30 40 EGEB Cn1cc(/C=C/C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)cn1 79014635 SGIWFYPXWHTKQM-IZZDOVSWSA-N 344.436 3.033 30 40 EGEB COCCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(C(C)C)cc1 4540480 WYBQEEGSESZPNG-QGZVFWFLSA-N 331.412 3.131 30 40 EGEB Cn1cc(C[C@@H](C#N)C(=O)NCCc2ccccc2)c2ccccc21 44918023 WCVZZCOXAMUPTR-KRWDZBQOSA-N 331.419 3.219 30 40 EGEB CCOC(=O)C[C@@H](/C=C1/C(=O)[C@]2(C)CC[C@@H]1C2(C)C)C(=O)OCC 100366659 KAUNDGKZMCLVBD-OMKDDAQJSA-N 336.428 3.071 30 40 EGEB COc1ccccc1CNC1=C(Cl)C(=O)c2ccccc2C1=O 100939762 UTLHSPQGOWJLFM-UHFFFAOYSA-N 327.767 3.314 30 40 EGEB Cc1cc(C(=O)Cn2cnc(C#N)n2)c(C)n1CCC1=CCCCC1 12906932 UUNSPUMQZGWAPI-UHFFFAOYSA-N 337.427 3.342 30 40 EGEB Cc1ccc(CC/C(O)=N/S(=O)(=O)c2cn(C)c3ccccc23)o1 95446112 FJMKYOWDXWOGMO-UHFFFAOYSA-N 346.408 3.358 30 40 EGEB C=CCN1C(=O)[C@](O)(CC(=O)c2ccc(C)s2)c2ccccc21 4554657 LIFUQNIABOJPBU-SFHVURJKSA-N 327.405 3.050 30 40 EGEB COCCOCc1cc(C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)ccc1F 96426533 XHJRUJZPJLZQTN-AUUYWEPGSA-N 348.418 3.191 30 40 EGEB Cc1ccc(C)c(-n2nc(C)c(/C=N/N3CCOCC3)c2Cl)c1 7785962 PFSPKTRHNWGFHG-YBFXNURJSA-N 332.835 3.117 30 40 EGEB C=CCSCC(=O)N(CCc1ccc(C)cc1)C[C@@H]1CCCO1 84148809 BGHULCNEXHIWSA-SFHVURJKSA-N 333.497 3.464 30 40 EGEB N#Cc1c(F)cccc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 24213137 FERZJCQCUPVKOR-UHFFFAOYSA-N 343.789 3.313 30 40 EGEB COc1c(O)c(/C=C/C(=O)c2ccccc2)c(OC)c(OC)c1OC 95933341 WKHFCYYMOLJMDZ-ZHACJKMWSA-N 344.363 3.323 30 40 EGEB biogenic C#CCN(Cc1cccc(C)n1)C(=O)c1ccc2[nH]c(=S)oc2c1 74194138 FGRGDHBPGFRIHB-UHFFFAOYSA-N 337.404 3.469 30 40 EGEB N#C[C@H]1CN(C(=O)c2ccc3[nH]ccc3c2)CCN1Cc1ccccc1 96406139 DSHUNAAGYAWECG-IBGZPJMESA-N 344.418 3.018 30 40 EGEB C/C(=N\Nc1cc(N2CCCCC2)ncn1)c1cccc([N+](=O)[O-])c1 5003230 KRCDWANPSDCTEJ-DEDYPNTBSA-N 340.387 3.211 30 40 EGEB COc1ccc(/C=C2/CNC/C(=C/c3ccc(OC)cc3)C2=O)cc1 16953569 KLQHUUOZRTVODQ-WHYMJUELSA-N 335.403 3.343 30 40 EGEB C/C(=N\NS(=O)(=O)c1ccc(Cl)cc1)[C@H]1C[C@H]2CC[C@@H]1C2 5094702 GBFCWQABIOVAIP-HLRFIURKSA-N 326.849 3.430 30 40 EGEB CCOc1ccccc1/C=C/C(=O)c1ccc(OCC(=O)O)cc1 8321922 JNEPJNGNCSIJPR-FMIVXFBMSA-N 326.348 3.445 30 40 EGEB N#CC1(C#N)[C@@H](c2ccccc2)O[C@@]23CCCC[C@H]2[C@]1(C#N)C(=N)O3 4578036 WZLSMMJVGMRTON-OSGQAZFXSA-N 332.363 3.195 30 40 EGEB N#Cc1cccc(C(=O)NC[C@H](O)c2ccc(-c3cccs3)o2)c1 1775967476 SVQIOTUFNQNMMO-AWEZNQCLSA-N 338.388 3.343 30 40 EGEB Cc1nn(-c2ccccc2)c2nc(O)c(C#N)c(-c3cccnc3)c12 156101 HWXQXZCOPNFHNJ-UHFFFAOYSA-N 327.347 3.368 30 40 EGEB N#C[C@@H]1C(=O)Nc2nc3ccccc3n2[C@@H]1c1c[nH]c2ccccc12 20638138 NTFJNFIFVFWGLA-SJCJKPOMSA-N 327.347 3.199 30 40 EGEB N#Cc1cccc(C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)c1 7395816 ASEMRSQDLRCSBS-UHFFFAOYSA-N 348.280 3.373 30 40 EGEB N#Cc1cccc(OCc2ccoc2C(=O)NCCc2ccccn2)c1 69350733 IQLKHIQZIDKCFT-UHFFFAOYSA-N 347.374 3.098 30 40 EGEB COc1ccc(-c2noc(COc3ccccc3C#N)n2)c(OC)c1 8327399 PIMUPNAQSLHEBA-UHFFFAOYSA-N 337.335 3.204 30 40 EGEB COc1ccc(Nc2nnc(Sc3nccnc3C#N)s2)cc1 69558009 HRQOKPAXGZFPAM-UHFFFAOYSA-N 342.409 3.103 30 40 EGEB CCc1ccsc1C(=O)N[C@H](C#N)c1cccc(OC)c1OC 69817029 XFKSPXLCRQZJBC-CYBMUJFWSA-N 330.409 3.322 30 40 EGEB N#Cc1ccc(OC2CCN([C@H]3Cc4ccccc4[C@@H]3O)CC2)cc1 95987240 RMHZTXMOSAFKLB-SFTDATJTSA-N 334.419 3.060 30 40 EGEB N#CCc1ccc(NC(=O)NCc2cccc(Cn3ccnc3)c2)cc1 76084339 AEZKFALASDFKNA-UHFFFAOYSA-N 345.406 3.319 30 40 EGEB N#Cc1ccc(N2CCC(COc3cc(C4CCC4)ncn3)CC2)nc1 1565522576 UVCDVKQHIWFWRZ-UHFFFAOYSA-N 349.438 3.306 30 40 EGEB COc1ccc(/C=C/C(=O)c2ccc(O[C@@H](C)C(=O)O)cc2)cc1O 13361813 POGJTFSKEGKJDQ-KBNZMGLGSA-N 342.347 3.149 30 40 EGEB CN(Cc1cccc(C#N)c1)C(=O)c1cc(Br)ccc1O 32459447 LHTQXQCFNVETJF-UHFFFAOYSA-N 345.196 3.299 30 40 EGEB C#CCN1CCC(C(=O)N2CCC[C@H]2c2cccc(Cl)c2)CC1 57175543 FSZUUPYVSPSARB-SFHVURJKSA-N 330.859 3.349 30 40 EGEB C=CCS(=O)(=O)c1ccc(C)c(NC(=O)c2ccc(OC)cc2)c1 10030396 DEUXMLNVNIGGFG-UHFFFAOYSA-N 345.420 3.216 30 40 EGEB C[C@@H](Oc1ccc(C#N)cc1)/C(O)=N/c1ncn(Cc2ccccc2)n1 58159243 XENUASBJVIUSAL-CQSZACIVSA-N 347.378 3.254 30 40 EGEB O=[N+]([O-])c1ccc2c(c1)/C(=N\N=c1/[nH]c3ccccc3s1)C(O)=N2 7894680 FDABWJVAAUOLED-UHFFFAOYSA-N 339.336 3.044 30 40 EGEB C=CC[C@H](NC(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1)c1ccncc1 72285362 PIHDGFGZNRFZFP-SJORKVTESA-N 343.471 3.100 30 40 EGEB c1ccc(C/N=C(\NCCc2ccco2)NCc2nccs2)cc1 75613049 URNOTEOBCOWQHT-UHFFFAOYSA-N 340.452 3.214 30 40 EGEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccccc1O 408793248 DOMJIEFSKGJYGL-QGZVFWFLSA-N 347.370 3.134 30 40 EGEB Cn1nccc1CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 69203084 SIMJNVWAZBNRNX-UHFFFAOYSA-N 347.378 3.406 30 40 EGEB Cc1cccc(COc2nn(Cc3ccc(F)cc3)c(N)c2C#N)c1 225842823 XJXWMVAAZCLNGG-UHFFFAOYSA-N 336.370 3.412 30 40 EGEB C=CCSc1nnc(NS(=O)(=O)c2ccc(F)c(C)c2)s1 225611067 IUYUEQOUFITHTR-UHFFFAOYSA-N 345.446 3.065 30 40 EGEB Cc1ccc(/N=N/c2c(C)c(C#N)c(=O)n(CCO)c2O)cc1Cl 96193248 RNNNVFWGESRBPY-FMQUCBEESA-N 346.774 3.104 30 40 EGEB C=CCN1C(=O)CCC[C@@]12CCCN(C(=O)c1ccc(C)c(C)c1)C2 96077084 LCHGZWBNSPAJSV-NRFANRHFSA-N 340.467 3.477 30 40 EGEB N#CCC(=O)c1cc(Br)ccc1I 232460244 DTXAEVLFVLOXMQ-UHFFFAOYSA-N 349.953 3.150 30 40 EGEB COc1ccc(O)c(C(=O)/C=C/c2ccc3c(c2)OCCCO3)c1 4023260 QQEUWNHIZBKOLF-ZZXKWVIFSA-N 326.348 3.458 30 40 EGEB biogenic N#CC1(C(=O)Nc2ccc(C(=O)Nc3cccnc3)cc2)CCCC1 24902981 JWZJWCFKCWXKAF-UHFFFAOYSA-N 334.379 3.356 30 40 EGEB CCc1cccc(CC)c1NC(=O)CO/N=C(/N)c1ccsc1 50516721 APDSHLVERYPJSS-UHFFFAOYSA-N 331.441 3.149 30 40 EGEB C=CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)OCC)cc1 12821589 RIMRSUUVSZHCEY-UHFFFAOYSA-N 345.420 3.245 30 40 EGEB CCOc1cc(C#N)ccc1OCC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 13001637 YYTIZANXSDIAKL-OFQRWUPVSA-N 330.428 3.277 30 40 EGEB Cc1cc(N/N=C/c2ccc(O)cc2O)nc(NCc2ccccc2)n1 4812384 AAJFGGUEQQNIBO-CIAFOILYSA-N 349.394 3.254 30 40 EGEB CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(N(C)C)cn1 68801922 NEGQPYXULGEUJH-GOSISDBHSA-N 338.411 3.061 30 40 EGEB C=CCNc1ncc(C(=O)N2CC[C@@H](c3ccccc3OC)C2)s1 95429503 LGHWVABGMUKHFZ-CYBMUJFWSA-N 343.452 3.379 30 40 EGEB COc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c(OC)c1 409040833 IJMQWAVXVRESQQ-IOXNKQMXSA-N 348.218 3.418 30 40 EGEB O=c1[nH]c(N/N=C\c2cccc(Br)c2)nc2ccccc12 34793933 DIQISAJUSLFXAB-MFOYZWKCSA-N 343.184 3.132 30 40 EGEB CCOC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C1 40103394 MAEXENYONSVULJ-GFCCVEGCSA-N 335.791 3.019 30 40 EGEB C=CCOc1ccc(NC(=S)NCCCN2CCCCC2)cc1 225411053 OMRRBMUUKWUVFI-UHFFFAOYSA-N 333.501 3.414 30 40 EGEB CN(c1ccc(CNc2c(Cl)cccc2C#N)cc1)S(C)(=O)=O 96429476 BBIWLKUNUNKZGS-UHFFFAOYSA-N 349.843 3.220 30 40 EGEB C=CCOC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C)oc1C)C2 96039660 PWQRROZWVPLXBA-MJGOQNOKSA-N 333.428 3.110 30 40 EGEB CC[C@@H](c1ccncc1)N(C)S(=O)(=O)c1ccc(Cl)cc1C#N 96428132 JBJHCIWKEHVGNY-HNNXBMFYSA-N 349.843 3.378 30 40 EGEB C=CCNc1nnc(S[C@@H](C)C(=O)N2CCc3ccccc32)s1 5784310 HGKMYWGFYOCFAU-NSHDSACASA-N 346.481 3.206 30 40 EGEB COc1ccc(-c2nnc(S[C@@H](C)C#N)n2C[C@@H]2CCCO2)cc1 3427946 YDRLZBHIDOKQCS-WFASDCNBSA-N 344.440 3.137 30 40 EGEB CC(=O)c1cccc(OCC(=O)Nc2sc(C)c(C)c2C#N)c1 58363225 KWMRPWHMXUFSSP-UHFFFAOYSA-N 328.393 3.457 30 40 EGEB Cc1ccc(S(=O)(=O)N/N=C2/[C@@H](C)[C@@H]3C=C[C@H]2C=C/C=C/3)cc1 104280950 NJKAGWLHGKJNOV-RTSQOBOSSA-N 328.437 3.194 30 40 EGEB N#C/C(=N\Nc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1Cl 103743962 MKWGWQZQSIEDFA-CPNJWEJPSA-N 328.715 3.423 30 40 EGEB CCOc1cc(-c2cc(-c3c(C)n[nH]c3C)nc(N)c2C#N)ccc1O 71575788 KDLWAMQDIHNRAK-UHFFFAOYSA-N 349.394 3.314 30 40 EGEB C=CCn1c(C)nnc1SCC(=O)Nc1ccc(Cl)cc1F 4936585 ALKBXUMLZZPFKG-UHFFFAOYSA-N 340.811 3.296 30 40 EGEB N#CCCCS(=O)(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 71897409 GBRYRYZTVDEDIK-UHFFFAOYSA-N 346.374 3.303 30 40 EGEB CN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1ccccc1C#N 7452325 KADWPMMSPHHLMZ-UHFFFAOYSA-N 333.313 3.046 30 40 EGEB Cc1ccc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)c(CN(C)C)c1 69739036 VZMPFQPZNGABIV-HNNXBMFYSA-N 337.423 3.334 30 40 EGEB C=C(C)CN(C)C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 97047259 NGIMHFAEUSWOQX-UHFFFAOYSA-N 336.457 3.443 30 40 EGEB C[C@@H]1Cc2cccc3c(=O)c(C(=O)Nc4cccc(C#N)c4)cn1c23 225861737 ATLUONSIQJGFKO-GFCCVEGCSA-N 329.359 3.243 30 40 EGEB Cc1cnc([C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2C#N)s1 96483576 OJPMEPBBUURROE-SECBINFHSA-N 341.845 3.016 30 40 EGEB C=CCOc1ccc(/C=C2\SC(=O)N(CCCC(=O)O)C2=O)cc1 2441780 BAGQLRPRENDMRY-KAMYIIQDSA-N 347.392 3.153 30 40 EGEB CN(C)c1ccc(C(=O)NCCSCc2ccccc2C#N)cc1 21933230 BMXGILAONQRZOW-UHFFFAOYSA-N 339.464 3.287 30 40 EGEB Cn1c(C(=O)[C@H](C#N)C(=O)Nc2ccccc2F)cc2ccccc21 103590622 BHSGNNAZBWJPPA-ZDUSSCGKSA-N 335.338 3.279 30 40 EGEB COc1ccc(CCNC(=O)Nc2cc(C#N)ccc2C)cc1OC 58453707 PPBUOIYPTDNYRU-UHFFFAOYSA-N 339.395 3.248 30 40 EGEB N#Cc1ccc(C(=O)NCc2ccc(CN3CCCCC3)cc2)cc1 7447636 PMNAPBNUOBJYNT-UHFFFAOYSA-N 333.435 3.474 30 40 EGEB CCOC(=O)c1sc(N)c(C#N)c1CN1CCCc2ccccc21 16442551 GCNBWAWHGCHKHK-UHFFFAOYSA-N 341.436 3.331 30 40 EGEB COCC[C@@H](C)NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 69531532 KGJATSROPPEMHD-SNVBAGLBSA-N 345.321 3.046 30 40 EGEB Cc1ccc2nc(C3=C(N)N(c4ccc(C)c(C)c4)CC3=O)[nH]c2c1 8844103 WDSFDEMJJFJMQE-UHFFFAOYSA-N 332.407 3.205 30 40 EGEB CCOc1ccc(/C=N\NC(=S)Nc2ccccc2)cc1OC 33677207 BLJZKBKGKGMGNK-PDGQHHTCSA-N 329.425 3.414 30 40 EGEB N#CCOc1ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc2c1 4340012 ZJKQVJLYGZKQAG-UHFFFAOYSA-N 345.310 3.469 30 40 EGEB biogenic N#Cc1ccccc1NC(=O)c1ccc(O[C@@H]2CCSC2)nc1 225713800 PGOKRPZTVBAQOX-CQSZACIVSA-N 325.393 3.090 30 40 EGEB Cc1ccc([C@@H](CNCc2ccc(C#N)cc2)N2CCOCC2)s1 75603926 SVNOKAMFVJQOLJ-GOSISDBHSA-N 341.480 3.091 30 40 EGEB COc1ccc([C@@H](CNC(=O)c2cccc(C#N)c2)N2CCCC2)cc1 12785048 NAEIAWYXQNGMOA-HXUWFJFHSA-N 349.434 3.134 30 40 EGEB N#Cc1c(NC(=O)Cn2cnc3ccccc32)sc2c1CCCC2 16545624 NCKPOPLYBMDEFY-UHFFFAOYSA-N 336.420 3.487 30 40 EGEB CNc1ccccc(C(=O)/C=C/c2ccc(OC)cc2OC)c1=O 19909670 GIQFOJCAAIWVGP-PKNBQFBNSA-N 325.364 3.002 30 40 EGEB C=C[C@H]1C[N+]2(C)CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12 3101451 SJTSZVLGFLZBFK-HQBGAPFHSA-N 339.459 3.318 30 40 EGEB N#C[C@]1(c2ccccn2)Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]21 12546688 MISRPTAWNSSWEW-OALUTQOASA-N 334.379 3.366 30 40 EGEB N#CCc1ccc(OC[C@H](O)CN2CCC[C@@H]2c2ccccc2)cc1 25305929 SIMVSEIQFYZBSC-TZIWHRDSSA-N 336.435 3.329 30 40 EGEB C[C@H](NC(=O)c1ccc(C#N)cc1)c1nc(-c2ccc(F)cc2)no1 58282018 LBJCYQHIPZSOFI-NSHDSACASA-N 336.326 3.238 30 40 EGEB CCc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(N)=S)cc1 3252652 RMUWVPWPVNKYIY-CIAFOILYSA-N 349.463 3.269 30 40 EGEB CC(C)Cc1nc(OCC(=O)N2CCCC2)c(C#N)c2c1CCCC2 12324279 LSVBCGJYHDMZCY-UHFFFAOYSA-N 341.455 3.032 30 40 EGEB O=C1C=C/C(=C2/N=C(c3ccccc3)N=C(c3ccccc3)N2)C(O)=C1 100798050 JUMDJIDYKLZVAF-UHFFFAOYSA-N 341.370 3.276 30 40 EGEB COc1ccc2nc(SCC(=O)Nc3cccc(C#N)c3)[nH]c2c1 3493601 JXEKRFROESEOHQ-UHFFFAOYSA-N 338.392 3.174 30 40 EGEB COc1ccc([C@@H](CNC(=O)c2ccc(C#N)cc2)N2CCCC2)cc1 6938558 MFTMSDJJDBSMTD-HXUWFJFHSA-N 349.434 3.134 30 40 EGEB COc1ccc(-c2nc(SCc3ccno3)nc(O)c2C#N)cc1 73999126 UFMPJKBWRFCDAD-UHFFFAOYSA-N 340.364 3.010 30 40 EGEB COc1cc(/C=N\c2ccc(N(C)C)cc2)ccc1O[C@@H](C)C(=O)O 409013346 NBFYVHGBIRYTDV-RQZLXBNYSA-N 342.395 3.364 30 40 EGEB CO[C@@](C)(/C(O)=N/S(=O)(=O)c1ccc(C)s1)c1ccccc1 78611893 ZAFQYVSWFGCJME-OAHLLOKOSA-N 339.438 3.264 30 40 EGEB Cc1ccc(C[C@H](NC(=O)c2ccc(C#N)cn2)c2ccccn2)cc1 79360574 UWSSLNCRCBZBPZ-FQEVSTJZSA-N 342.402 3.371 30 40 EGEB C=C[C@H](C)CCOC(=O)c1snnc1-c1cnc(SC)nc1 223855544 CRRYVUFDDXRMEC-VIFPVBQESA-N 336.442 3.086 30 40 EGEB Cc1cc(S(=O)(=O)/N=C(\O)Cc2c[nH]c3ccccc23)c(C)o1 96494223 MJHYOFGKALHBMA-UHFFFAOYSA-N 332.381 3.266 30 40 EGEB Cc1ccc(CN(CCN(C)C)C(=O)Nc2cccc(C#N)c2)o1 48052669 ZQVAJPZXRFREJE-UHFFFAOYSA-N 326.400 3.055 30 40 EGEB CCCCS(=O)(=O)Nc1ccccc1/C(=N/O)c1ccccc1 5729268 FJGSJPQCAYPVAV-ISLYRVAYSA-N 332.425 3.455 30 40 EGEB Cc1nc(N/N=C/c2ccc([N+](=O)[O-])cc2)cc(N2CCCCC2)n1 4595619 OUYPCFAKTGEUPQ-LDADJPATSA-N 340.387 3.130 30 40 EGEB COc1ccc(CN2C(=O)[C@@H](C)S/C2=N/N=C/c2ccco2)cc1 4955818 PIDCDZDAANTFJH-IFUHEKCOSA-N 343.408 3.142 30 40 EGEB COc1cc(/C(O)=N/S(C)(=O)=O)cc(Cl)c1OCCC(C)C 40129818 IWYKHHSTJWCCHR-UHFFFAOYSA-N 349.836 3.038 30 40 EGEB Cc1cc(F)cc2c(NCC3(N(C)C)CCOCC3)c(C#N)cnc12 78260000 QKCUAPWSZIFAOK-UHFFFAOYSA-N 342.418 3.077 30 40 EGEB N#Cc1ccccc1N1CCN(C(=O)c2cccc3cc[nH]c23)CC1 79888346 HJJSWFLLQMNBIH-UHFFFAOYSA-N 330.391 3.002 30 40 EGEB CC(C)OC(=O)C[N+](C)(C)CCO[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C 2290891 IOGAHPAXONVGAW-MDZRGWNJSA-N 326.501 3.246 30 40 EGEB N#Cc1ccc(NS(=O)(=O)c2cccc(Br)c2)cc1 6316403 HPXJAUYAMXAUGK-UHFFFAOYSA-N 337.198 3.122 30 40 EGEB COc1cccc([C@@H]2CCCN2S(=O)(=O)c2ccccc2C#N)c1 12751225 WBHQHSSWQVENRQ-KRWDZBQOSA-N 342.420 3.093 30 40 EGEB COc1cc(C#N)cc(Cl)c1OCC(=O)Nc1ccccc1C#N 9154670 LEWJTFPPLUZULX-UHFFFAOYSA-N 341.754 3.109 30 40 EGEB C=CCn1c(SCC(C)=O)nc2sc3c(c2c1=O)CC[C@@H](C)C3 4284155 OFYXTZMLNNTZJV-SNVBAGLBSA-N 348.493 3.450 30 40 EGEB N#C[C@@H](NC(=O)CCc1ccc(F)cc1)c1cnn(-c2ccccc2)c1 65620848 AUUCMAWDAMQQGT-LJQANCHMSA-N 348.381 3.325 30 40 EGEB CN1CCCN(c2oc(C34CC5CC(CC(C5)C3)C4)nc2C#N)CC1 72427533 PEPUYROMXUKDTM-UHFFFAOYSA-N 340.471 3.156 30 40 EGEB Cn1cc(C[C@@H]2CCN(c3ccc(C#N)c(C(F)(F)F)c3)C2)cn1 80672969 WYHHPHQTNQTHSZ-LBPRGKRZSA-N 334.345 3.380 30 40 EGEB C[C@@H]1C[C@H]1/C(O)=N/S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 71883901 OVKUIJLNPORBGS-HTRCEHHLSA-N 325.283 3.146 30 40 EGEB c1ccc2sc(N=C3NCN(C4CCCCCC4)CN3)nc2c1 17016458 NAKPTCJEUFGRFS-UHFFFAOYSA-N 329.473 3.416 30 40 EGEB C=CCO[C@H](C)C(=O)Nc1cc(C(=O)N(C)C(C)C)ccc1Cl 69456305 PDEPPPXGZSKGHA-GFCCVEGCSA-N 338.835 3.350 30 40 EGEB C=CCOc1ccc(C(=O)NC[C@H](c2ccco2)N2CCCC2)cc1 8991126 FANOEWKNHRDCRL-GOSISDBHSA-N 340.423 3.411 30 40 EGEB CC[C@@H](CC#N)NC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F 97141411 ROVNYHAFSFELBH-JTQLQIEISA-N 342.321 3.478 30 40 EGEB N#Cc1cc([N+](=O)[O-])cnc1NCc1c(F)cccc1OC(F)F 75065056 WQPHDRUBHFNGHQ-UHFFFAOYSA-N 338.245 3.214 30 40 EGEB CCCCCCCCCNC(=O)C(=O)NCCc1ccc(OC)cc1 408710338 YBWXHEIHISUULV-UHFFFAOYSA-N 348.487 3.221 30 40 EGEB CCCCCCCNC(=O)CCC(=O)NCc1ccc(OC)cc1 98044732 XPADKDFCIQYTIC-UHFFFAOYSA-N 334.460 3.178 30 40 EGEB C=CCSCC(=O)NCC1(c2cccc(Cl)c2)CCOCC1 54313796 CSHRSQVYLOZEPX-UHFFFAOYSA-N 339.888 3.424 30 40 EGEB COCCC1(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)CC1 96489434 RNCXCQZWWQNZPH-GFCCVEGCSA-N 327.211 3.491 30 40 EGEB Oc1cccc(/C=N/c2ccc(I)cc2)c1O 65264 QGQGEJSXGGYYKY-OVCLIPMQSA-N 339.132 3.453 30 40 EGEB C=CCOc1ccc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc1OCC 13571095 NXALASGTOZBUAM-UHFFFAOYSA-N 339.395 3.432 30 40 EGEB C#CCOc1ccccc1C1C2=C(CCCC2=O)NC2=C1C(=O)CCC2 19972679 FXVCPYURVNAGRW-UHFFFAOYSA-N 347.414 3.400 30 40 EGEB Cn1c(N/N=C/c2cc(Br)ccc2O)nc2ccccc21 7343303 ODWWMYPOHULDDY-RQZCQDPDSA-N 345.200 3.487 30 40 EGEB O=C1N/C(=N\c2cccc(O)c2)S/C1=C/c1cccc([N+](=O)[O-])c1 5593549 AQGJOQSLPDCUSR-RIYZIHGNSA-N 341.348 3.192 30 40 EGEB C=CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccccc1F 101231824 IEBHQESVSWPCLS-HVESIFNPSA-N 337.350 3.433 30 40 EGEB COc1ccc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)cn1 23881859 SDHTYUXFXOPRSS-UHFFFAOYSA-N 329.359 3.137 30 40 EGEB COc1ccc(C(=O)N2C[C@@]3(C)[C@@H]4CC[C@@]3(C)[C@@]2(C#N)C4)cc1OC 1075786 LPPVWMDNFLZLBE-YGBSJELFSA-N 340.423 3.248 30 40 EGEB CC(C)(C#N)C(=O)N1Cc2cc3c(cc2C2(CCCC2)C1)OCCO3 55115122 SRFYTWDDKDTMSX-UHFFFAOYSA-N 340.423 3.162 30 40 EGEB C=CCSc1nnc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)s1 7594364 IWERADPJFVEBCX-VMPITWQZSA-N 348.409 3.376 30 40 EGEB COc1ccc(OC)c([C@H]2NC(=O)N(C)C3=C2C(=O)CC(C)(C)C3)c1 28628061 GVCSGFLOYINQHN-QGZVFWFLSA-N 344.411 3.043 30 40 EGEB Cc1ccccc1NC(=O)[C@H](C)O/N=C/c1cccc([N+](=O)[O-])c1 3218370 ZSPOAMNYZQXEGD-FHXOWUIVSA-N 327.340 3.281 30 40 EGEB CCc1ccc(Cl)c(CC)c1NC(=O)CCCn1cnc(C#N)n1 14143583 CFRRSYDQFJZCDI-UHFFFAOYSA-N 345.834 3.347 30 40 EGEB N#Cc1cc(C(=O)c2cc(Cl)ccc2O)cn(C2CCCC2)c1=O 14139417 RPNRSKXNNIOCIQ-UHFFFAOYSA-N 342.782 3.425 30 40 EGEB CCc1ccc(C[C@@H]2S/C(=N/N=C/c3cccs3)NC2=O)cc1 6555769 PENCTNJKHOJIGG-LZNAANCOSA-N 343.477 3.475 30 40 EGEB COC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1C 9482769 REUYKQUPLKZRRE-GFCCVEGCSA-N 328.412 3.123 30 40 EGEB N#C[C@H](C(=O)c1csc(-c2ccc3c(c2)OCO3)n1)c1ccccn1 71855189 GIJMZWLTVIOUHE-LBPRGKRZSA-N 349.371 3.424 30 40 EGEB COc1cccc([C@@H](C#N)NC(=O)c2nccc3ccccc23)c1OC 75583904 XWCXDDDKOKNXNO-MRXNPFEDSA-N 347.374 3.247 30 40 EGEB CO[C@]1(C(=O)Nc2ccc(OC(C)=O)c(C#N)c2)CCC[C@@H](C)C1 225809651 REFJEMPXBZPSRE-KZULUSFZSA-N 330.384 3.017 30 40 EGEB COc1ccc(Br)cc1CCC(=O)N(C)[C@@H](C)CC#N 96416998 DZGBUFDUZVYQMI-NSHDSACASA-N 339.233 3.151 30 40 EGEB C=C(C)CN(Cc1ccccc1)C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 279421778 KSCMORNXVZMETH-LJQANCHMSA-N 340.467 3.240 30 40 EGEB CCOC(=O)C1=C(C)N/C(=C\c2cccc(Cl)c2Cl)C1=O 16682325 RXAOHEQHRYHPQM-XFFZJAGNSA-N 326.179 3.344 30 40 EGEB NC(=S)N/N=C/c1cc(Cl)ccc1OCc1ccc(F)cc1 6221532 CVEJXRHHIPJTEN-UFWORHAWSA-N 337.807 3.225 30 40 EGEB COc1ccc2[nH]c3c(=O)n(/N=C/c4ccccc4)c(C)nc3c2c1 325925 VEOZLAOZOTXBNO-RGVLZGJSSA-N 332.363 3.077 30 40 EGEB O/C(COc1ccc2c(c1)CCC2)=N\c1nc(-c2ccccn2)n[nH]1 53523861 BAFRDFAITLHRDM-UHFFFAOYSA-N 335.367 3.022 30 40 EGEB CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(CC)s1 108089 CBQDUZVNQZKOOB-OAHLLOKOSA-N 347.436 3.165 30 40 EGEB Cc1csc([C@H]2CCCN(C(=O)c3ccc(C#N)c(C)n3)C2)n1 72298850 DMAVEVMMKIPFCM-AWEZNQCLSA-N 326.425 3.046 30 40 EGEB C[C@H]1CCCN(CCCCNC(=O)CCc2ccc(C#N)cc2)C1 46990417 OKAPIZAEKMXJRZ-KRWDZBQOSA-N 327.472 3.119 30 40 EGEB C=C(C)CN1C(=O)[C@@](O)(CC(=O)c2ccc(F)cc2)c2ccccc21 4556467 DFKGKMIKXMIVMM-HXUWFJFHSA-N 339.366 3.209 30 40 EGEB C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1Cl)CC(=O)N2 4944219 CDFMTQYAQKEHOT-JTQLQIEISA-N 347.827 3.176 30 40 EGEB C=CCOc1ccc(CN(C)CC(=O)N[C@H]2CCCC[C@@H]2C)cc1 7579880 ZOYVNIKQRHQQMD-LPHOPBHVSA-N 330.472 3.378 30 40 EGEB COc1ccc(OCCC(=O)N[C@@H](C#N)c2ccc(F)cc2F)cc1 68419424 IXTSYERVMNVTAI-KRWDZBQOSA-N 346.333 3.123 30 40 EGEB N#Cc1ccc(OCC(=O)c2ccc3c(c2)OCCO3)c(Cl)c1 7856406 BGNSMAGXBVNXRK-UHFFFAOYSA-N 329.739 3.245 30 40 EGEB Cc1c(NC[C@@H]2CCN(CC(F)(F)F)C2)cc(C#N)cc1[N+](=O)[O-] 95410650 WEZPVUWGHYTETH-NSHDSACASA-N 342.321 3.071 30 40 EGEB COc1ccc([N+](=O)[O-])cc1/C=N/Nc1ccc(C(F)(F)F)cn1 409071112 NIJGJCKQRCOVGE-FBCYGCLPSA-N 340.261 3.463 30 40 EGEB O=C(O)c1ccccc1/C=N/NC(F)(F)C(F)(F)C(F)(F)F 409047753 MZIUKSCHRFJQAB-PTXOJBNSSA-N 332.175 3.099 30 40 EGEB CC(C)(C)OC(=O)NC1CCN(c2snc(Cl)c2C#N)CC1 77192166 DSAJECGATRSLFS-UHFFFAOYSA-N 342.852 3.162 30 40 EGEB C#CCOc1cccc(CN2C[C@H]3ON=C(c4ccc(C)cc4)[C@H]3C2)c1 72343270 MYEGPJTXVIVWPW-LEWJYISDSA-N 346.430 3.242 30 40 EGEB CC(C)(CC(=O)Nc1ccc(C#N)cc1)CC(=O)Nc1cccnc1 199422599 HMZFQZFSPSIWON-UHFFFAOYSA-N 336.395 3.337 30 40 EGEB CN(CC(=O)Nc1ccccc1Cl)c1ccc(C#N)cc1[N+](=O)[O-] 12554750 WGVGNOKSFHSGSL-UHFFFAOYSA-N 344.758 3.195 30 40 EGEB N#Cc1cccc(C(=O)N2CC(n3c(C4CC4)nc4ccccc43)C2)c1 1775970142 DDLXXOFJIRAEBG-UHFFFAOYSA-N 342.402 3.482 30 40 EGEB CC(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1F 82756 HVCJIYUJGLOKAU-MRXNPFEDSA-N 329.302 3.454 30 40 EGEB CNC(=O)c1ccc(/C=C/C(=O)c2c(Cl)nc3ccccn23)cc1 78023148 WWYMSJMMQYFEEJ-JXMROGBWSA-N 339.782 3.243 30 40 EGEB CCc1nc(SCC(=O)NCc2ccccc2)c(C#N)cc1C 1439231 MMGUNGAKLFWSJF-UHFFFAOYSA-N 325.437 3.233 30 40 EGEB C[C@H](C(=O)N[C@@]1(C#N)CCSC1)c1ccc(Br)s1 79860961 SVXANCYFJHFYMD-QPUJVOFHSA-N 345.287 3.130 30 40 EGEB Oc1c(Cl)cccc1/C=N/Nc1nnc2c(n1)[nH]c1ccccc12 3897902 DJWLALOGGAGRSF-QGMBQPNBSA-N 338.758 3.311 30 40 EGEB N#CCSCC(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1 56208275 SCKXYJMRCZLSQV-UHFFFAOYSA-N 340.330 3.086 30 40 EGEB CO/N=C1/CC(C)(C)Cc2c1c(-c1ccc3c(c1)OCO3)nn2C 35112868 QKPBXVLIGHZWDJ-NDENLUEZSA-N 327.384 3.139 30 40 EGEB C/N=C1/S/C(=C/c2cccn2-c2ccc(N(C)C)cc2)C(=O)N1C 101477898 YWPMJNTXXLSVGH-IRYZSLSISA-N 340.452 3.075 30 40 EGEB N#Cc1ccc(C(=O)NCCCc2nc(-c3ccncc3)cs2)cc1 57787439 BMDCAHRFRWRPLJ-UHFFFAOYSA-N 348.431 3.439 30 40 EGEB CC1=NN(c2ccccc2)C(=O)/C1=N/Nc1cc(-c2ccccc2)n[nH]1 100005601 OEHHSSGDHXAWRS-PTGBLXJZSA-N 344.378 3.267 30 40 EGEB CC(C)NC(=O)C1CCN(Cc2ccccc2C(C)(C)C#N)CC1 95425730 IFDXKNTWVPOTPY-UHFFFAOYSA-N 327.472 3.224 30 40 EGEB C#CCN(Cc1cccc(C)n1)C(=O)C(C)(C)c1ccc(OC)cc1 95421782 LERKDGVXYMQEIW-UHFFFAOYSA-N 336.435 3.338 30 40 EGEB Cc1cc(NC(=O)CCSc2ccccc2F)n(CCC#N)n1 68219367 DAAAEHZPZGTHMT-UHFFFAOYSA-N 332.404 3.365 30 40 EGEB Cc1c(NC(=O)c2cccc(C#N)c2Br)n[nH]c1C1CC1 1565568937 SJTBGJXXHJGLCG-UHFFFAOYSA-N 345.200 3.482 30 40 EGEB C#C[C@]1(O)CC[C@@H]2[C@@H]3CC(=O)C4=CC(=O)CC[C@@H]4[C@@H]3CC[C@@]21CC 96030900 RFOBDGUKWSBLIQ-QONQLXJKSA-N 326.436 3.062 30 40 EGEB N#C[C@H]1CCCC[C@@H]1OC(=O)CCN1C(=O)CCc2cc(F)ccc21 96441995 ZJJNQXMLKNEZEG-PBHICJAKSA-N 344.386 3.121 30 40 EGEB N#Cc1ccnc(OC[C@@H]2CCCN(Cc3ccc4c(c3)CCO4)C2)c1 1776009159 WSQPIVAEIRPCES-GOSISDBHSA-N 349.434 3.179 30 40 EGEB C[C@H](NC(=O)NCc1cccc(C#N)c1)c1ccc(-n2cccn2)cc1 76085501 WMNSZRXHFPZWNB-HNNXBMFYSA-N 345.406 3.304 30 40 EGEB C=CCOc1ccc([C@H]2NC(=O)c3ccccc3O2)cc1OCC 5001199 YVNDSURNXJRCIU-IBGZPJMESA-N 325.364 3.471 30 40 EGEB CN(Cc1ccc(OC(F)F)cc1)C(=O)COc1cccc(C#N)c1 23510868 PAFGEBCQERCZPS-UHFFFAOYSA-N 346.333 3.197 30 40 EGEB C[C@@H](C(=O)Nc1ccccc1C#N)N(C)Cc1ccc(F)cc1F 24952838 IJBFMGZNTASHMB-LBPRGKRZSA-N 329.350 3.295 30 40 EGEB C[C@H]1CN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)C[C@@H](C)O1 108348591 VJXSRDSOMQVYET-QLFBSQMISA-N 347.484 3.129 30 40 EGEB O=C(COC(c1ccccc1)c1ccccc1)/N=C1/NCCS1 44997995 NXEPXWWFNTVZNQ-UHFFFAOYSA-N 326.421 3.012 30 40 EGEB Cc1ccccc1COc1ccc(/C=N/NC2=NC(=O)CS2)cc1 3255914 QKGRKKICZOHHJX-VXLYETTFSA-N 339.420 3.127 30 40 EGEB C=C(C)CNC(=S)Nc1cc2c(cc1Br)OCCO2 16382577 OUNZUYWIMKEQTQ-UHFFFAOYSA-N 343.246 3.083 30 40 EGEB N#Cc1ccc(N2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)cn1 92964239 FDSHCGBPWQLSDN-CQSZACIVSA-N 334.301 3.025 30 40 EGEB COCc1cc(C)nc(Sc2ccc([N+](=O)[O-])cc2C=O)c1C#N 408607506 SQWONXBQRALWEN-UHFFFAOYSA-N 343.364 3.280 30 40 EGEB O=C(O)COc1ccc(/C=N\c2ccc([N+](=O)[O-])cc2)cc1Cl 408845084 FCYKNCGFSQDYEK-IUXPMGMMSA-N 334.715 3.462 30 40 EGEB CCCCOc1c(I)cc(OC)cc1C#N 225289009 MYQJLGLUSPQSAC-UHFFFAOYSA-N 331.153 3.350 30 40 EGEB C=CCN1C(=O)/C(=C/c2ccc(-c3ccccc3)cc2)C(=O)NC1=S 223508022 DTTVBMHBQKOBAC-GHRIWEEISA-N 348.427 3.166 30 40 EGEB CCOCc1ccccc1CNC(=O)NCc1cc(C#N)ccc1F 96437757 MVFGDYUCOWUJCA-UHFFFAOYSA-N 341.386 3.233 30 40 EGEB C=CCN(C(=O)c1cnc2sc(C)c(C)n2c1=O)c1ccccc1 95463527 YQAMENWCXAWXTD-UHFFFAOYSA-N 339.420 3.206 30 40 EGEB N#Cc1ccc(OC2CCN(c3nnc(C4CC4)s3)CC2)cc1 96482698 VKSDJCHLDGCYEP-UHFFFAOYSA-N 326.425 3.335 30 40 EGEB Oc1cccc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2)c1 252429440 PIIYOZQJGPXARV-UHFFFAOYSA-N 330.800 3.475 30 40 EGEB CCN([C@@H](C)c1cccnc1)S(=O)(=O)c1ccc(C#N)cc1Cl 97053968 OVBGBNOLQAFCSF-LBPRGKRZSA-N 349.843 3.378 30 40 EGEB CC1=C(Cl)C(=O)C(Cl)=C/C1=N\S(=O)(=O)c1ccccc1 84068 BUZKJRGDDRFYPG-LFIBNONCSA-N 330.192 3.035 30 40 EGEB Cc1ccc(S(=O)(=O)/N=C(/c2ccc(F)cc2)N2CCCC2)cc1 12732428 SRDIWPQDFQJONP-ZZEZOPTASA-N 346.427 3.365 30 40 EGEB Cc1nc(N2CC(Cn3cc(Cl)cn3)C2)c(C#N)c(C)c1Cl 1889098665 ISWSFWCMNOGQOU-UHFFFAOYSA-N 336.226 3.210 30 40 EGEB CCOc1ccccc1/C=C1\Oc2c(ccc(O)c2CN(C)C)C1=O 20624575 UIICRKQUAMJPCK-WQRHYEAKSA-N 339.391 3.469 30 40 EGEB C#CCOc1ccc(C[C@H]2SC(=O)N(C(C)C)C2=O)cc1Cl 6327519 SQGDYUMOOVILSP-CQSZACIVSA-N 337.828 3.367 30 40 EGEB CC[C@H](C)n1nccc1NC(=O)[C@H](C)Sc1cc(C#N)ccn1 95401155 JKDIKALNVIENRU-RYUDHWBXSA-N 329.429 3.240 30 40 EGEB COc1ccc(CN2CC[C@@H](CNc3ccc(C#N)cn3)C2)cc1F 65498643 XYPMWPGKVCQBCI-INIZCTEOSA-N 340.402 3.035 30 40 EGEB Cn1cc(C(=O)/C=C\c2csc(-c3ccc4c(c3)OCO4)n2)cn1 96297253 SIFNPMSAVQNVEM-ARJAWSKDSA-N 339.376 3.168 30 40 EGEB COc1cccc(SCC(=O)N(CCC#N)Cc2cccnc2)c1 71853486 LIRJGDINHCBDKS-UHFFFAOYSA-N 341.436 3.125 30 40 EGEB N#CC1(C(=O)Nc2cccc(C(=O)Nc3ccccn3)c2)CCCC1 69348359 ZLGDLHYXBFPDJR-UHFFFAOYSA-N 334.379 3.356 30 40 EGEB CCN(C[C@H](C)C#N)C(=O)COc1ccc(Oc2ccccn2)cc1 71961993 NMZGQDWPVNILCN-OAHLLOKOSA-N 339.395 3.261 30 40 EGEB N#CCSc1nnc(CN2CCCCC2)n1-c1ccc(F)cc1 8710661 XQUAMBXNTWAMTM-UHFFFAOYSA-N 331.420 3.008 30 40 EGEB N#CCCn1ccc(NC(=O)N[C@H](C2CCCC2)C(F)(F)F)n1 97135450 WWJCVYKKMQLRRA-GFCCVEGCSA-N 329.326 3.039 30 40 EGEB C#CCCNC(=O)Nc1cccc(C#Cc2cccc(C(=O)OC)c2)c1 75138307 GUAQQHGTUDNMNW-UHFFFAOYSA-N 346.386 3.018 30 40 EGEB COc1cc(C#N)ccc1OCC(=O)Nc1c(C#N)oc2ccccc12 44867807 JNNJWXZNGUKNDD-UHFFFAOYSA-N 347.330 3.202 30 40 EGEB CCn1nccc1[C@@H]1OCCC[C@H]1CNc1nc(C)cc(C)c1C#N 596382273 LROPSGPGJVFBIA-MAUKXSAKSA-N 339.443 3.366 30 40 EGEB CC(=O)C1=C(O)C(=O)N(c2ccc(O)cc2)[C@@H]1c1ccc(F)cc1 80233 LEQUCPMBDDNNFN-MRXNPFEDSA-N 327.311 3.020 30 40 EGEB N#CC(C#N)=c1ccc2c(c1)N1C3=C(CCCC3)C[C@H]3CCCC[C@@]31N=2 494035 JFTMWZCGZPOWHG-GCJKJVERSA-N 342.446 3.442 30 40 EGEB C#Cc1cccc(NC(=O)CCC(=O)c2ccc3c(c2)OCCO3)c1 55455508 GIXNSHYKAOHCHK-UHFFFAOYSA-N 335.359 3.041 30 40 EGEB CN(C)[C@H](CNC(=O)/C=C/c1ccc(C#N)cc1)c1cccs1 57381836 WHBCLZKWJDQHMT-ZNFPLGDCSA-N 325.437 3.052 30 40 EGEB Cc1ccc(S(=O)(=O)/N=C(\O)CCOCc2ccccc2)s1 58282154 VGOKTASJGDTGBO-UHFFFAOYSA-N 339.438 3.309 30 40 EGEB Cc1cccc(S(=O)(=O)/N=C(\O)c2csnc2C)c1Cl 97138952 COWBIUWRZVZGBN-UHFFFAOYSA-N 330.818 3.107 30 40 EGEB C/N=C1\S/C(=C\c2cc(F)c(N3CCCC3)cc2C)C(=O)N1C 107894818 NINHVRXSLYXSEN-VUDPKCRPSA-N 333.432 3.266 30 40 EGEB C[C@]1(c2ccccc2Cl)NC(=O)N(Cc2ccc(C#N)cc2)C1=O 2629666 NATWCYWXRIEKEV-GOSISDBHSA-N 339.782 3.179 30 40 EGEB CCN(CC)C(=O)C(=O)c1cccn1-c1c(Cl)cccc1C#N 4054863 XSBRMDDDJBSOLF-UHFFFAOYSA-N 329.787 3.053 30 40 EGEB COc1ccc2c(c1)O/C(=C\c1ccc(OC(C)=O)c(OC)c1)C2=O 4339905 QIPACIOUKIEESI-NVMNQCDNSA-N 340.331 3.245 30 40 EGEB biogenic COCc1cc(C)nc(N/N=C/c2cc(Cl)ccc2O)c1C#N 4321291 XOGGWHSVLZXNRF-UFWORHAWSA-N 330.775 3.213 30 40 EGEB COCCOc1ccc(C(=O)/C=C/c2ccc(-n3cncn3)cc2)cc1 65594180 KWNIOFXKGUTBAM-NYYWCZLTSA-N 349.390 3.189 30 40 EGEB COc1cc([C@H](C#N)NC(=O)c2ccc(C)cc2)cc(OC)c1OC 67701491 OTRZYUCRROBRHC-HNNXBMFYSA-N 340.379 3.016 30 40 EGEB Cc1csc([C@H](C#N)C(=O)COC(=O)c2cc3c(s2)CCC3)n1 7828789 YETGIAJIHAEZOR-LLVKDONJSA-N 346.433 3.035 30 40 EGEB CC(C)CCC(=O)Nc1nn(-c2ccc([N+](=O)[O-])cc2)cc1C#N 69594226 DAINRSXJZFCDRC-UHFFFAOYSA-N 327.344 3.027 30 40 EGEB C/N=C(/NCCc1coc(-c2ccc(C)cc2)n1)NCc1ccco1 97001118 WKVZBLIHMNSFMW-UHFFFAOYSA-N 338.411 3.151 30 40 EGEB CC(C)(C)OC(=O)N[C@H]1CCCN(c2ncc(C#N)cc2Cl)C1 95959766 LGSQEVCEAXTFOO-LBPRGKRZSA-N 336.823 3.100 30 40 EGEB CC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1ccc(Br)cc1 76253600 CRAVRWBNTHJOLJ-ZDUSSCGKSA-N 339.258 3.173 30 40 EGEB CCN(CCC#N)C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 78652017 ASMGIGFGQHNWEX-UHFFFAOYSA-N 331.807 3.352 30 40 EGEB CCOc1cccc(/C=N/c2ccccc2N2CCOCC2)c1O 3211752 UIBSSRPRBLYZRZ-XSFVSMFZSA-N 326.396 3.378 30 40 EGEB CN(C)/C=C1/C(=O)C[C@@H](/C=C/c2ccccc2)N(C(C)(C)C)C1=O 100255219 QIUMRZIKBOGRSZ-KLMAWXCSSA-N 326.440 3.114 30 40 EGEB COC(=O)C1=C(Nc2ccccc2)S/C(=C/c2ccccn2)C1=O 460098 XKNAMBCKHQCSQL-SDNWHVSQSA-N 338.388 3.235 30 40 EGEB O=C1C=Cc2ccccc2/C1=N\Nc1cc(Cl)ccc1C(=O)O 103429506 CDKBQMBFRXVFKB-CAPFRKAQSA-N 326.739 3.450 30 40 EGEB C#CCOc1cccc([C@H]2CC(=O)Nc3nc(NCC)sc32)c1 35324931 OHDXQHFOELNNPP-CYBMUJFWSA-N 327.409 3.061 30 40 EGEB N#Cc1ccsc1NC(=O)CSc1ncnc2ccccc12 3252807 GWSPDRQXIXPBRK-UHFFFAOYSA-N 326.406 3.294 30 40 EGEB N#CCN(Cc1ccccc1)C(=O)c1ccc(-c2ccccc2)[nH]c1=O 65585279 QIYNDOBDPUVKNO-UHFFFAOYSA-N 343.386 3.208 30 40 EGEB C=CC[C@@]12C=C(OC)C(=O)[C@@H](C1=O)[C@H](c1ccc3c(c1)OCO3)[C@H]2C 19831669 YCTWRMSXONXESR-NBSNSOTFSA-N 340.375 3.009 30 40 EGEB biogenic Cc1nn(-c2ccccc2)c(CN2CCO[C@@H](c3ccco3)C2)c1C#N 91072001 FNBKAOJLMQTZQX-HXUWFJFHSA-N 348.406 3.219 30 40 EGEB C#CCN1CCC(C(=O)Nc2cccc(-c3nc(C)cs3)c2)CC1 69351160 ATIFZYNSGOWOSM-UHFFFAOYSA-N 339.464 3.402 30 40 EGEB C=CCN(C(=O)C[C@@H]1Sc2ccccc2NC1=O)C1CCCC1 69414888 GRLKKEOIAYMGIJ-INIZCTEOSA-N 330.453 3.447 30 40 EGEB CN1CCC[C@@H](C/N=C(/N)NC2CCCCC2)[C@@H]1c1cccs1 95963353 JYOLFIDLWONDII-WMLDXEAASA-N 334.533 3.368 30 40 EGEB C=CCn1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2ccccc21 75123072 WOGPHIYRRSQZSP-UHFFFAOYSA-N 335.407 3.062 30 40 EGEB Cc1cccc(-c2ccc(C(=O)NCc3cccc(C#N)c3)c(=O)[nH]2)c1 75117547 PJZWWTNFEMXASR-UHFFFAOYSA-N 343.386 3.152 30 40 EGEB CCOc1cc([C@H]2N=C(SC)N(C)C(C)=C2C(C)=O)ccc1O 408731095 KLRITWBGSPATJK-MRXNPFEDSA-N 334.441 3.359 30 40 EGEB Cc1ccc(C)c(S(=O)(=O)N/N=C2\C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)c1 585145824 RZZUHTPVWLUVKO-NMQYCACMSA-N 332.469 3.394 30 40 EGEB COc1ccccc1/C=C1\Oc2c(ccc(O)c2CN(C)C)C1=O 13653597 GYLNOABESDDCBO-YVLHZVERSA-N 325.364 3.079 30 40 EGEB CCOC(=O)C/C(=N/Nc1ccccc1)c1ccc([N+](=O)[O-])cc1 16682235 RDPPTLXYYUJZAB-MNDPQUGUSA-N 327.340 3.364 30 40 EGEB COc1cc(/C=C\C(=O)CC(=O)/C=C/c2ccc(O)cc2)ccc1O 31430204 HJTVQHVGMGKONQ-FTBRZUGYSA-N 338.359 3.361 30 40 EGEB COC(=O)[C@]12CC(C)(C)C[C@@](C)(CC3=C1C(=O)/C(=N/N)C(C)(C)C3)C2 103750334 FEZZIAMQVRGBHX-ATGAQFSQSA-N 346.471 3.376 30 40 EGEB C=CCN(Cc1cccs1)C(=O)NC[C@H]1COc2ccccc2O1 42295725 HAHXNFYSXXNYLI-AWEZNQCLSA-N 344.436 3.286 30 40 EGEB CC(C)n1nccc1NC(=O)[C@@H](C)Oc1ccc(C#N)cc1Cl 57957104 RVRPVAGFNVRQFM-LLVKDONJSA-N 332.791 3.395 30 40 EGEB CC(C)OC(=O)C[N+](C)(C)CCO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 100731440 IOGAHPAXONVGAW-JTDSTZFVSA-N 326.501 3.246 30 40 EGEB CCN(C[C@H](C)C#N)C(=O)CSc1ccc(C(F)(F)F)cn1 58277597 RVSNOBUIEVTPHY-SNVBAGLBSA-N 331.363 3.201 30 40 EGEB C#CCN1C(=O)S/C(=C\c2ccc(OCC)c(OCC)c2)C1=O 4599358 IMBFYELGWYXHHR-PTNGSMBKSA-N 331.393 3.154 30 40 EGEB CC(C)c1nc(CNC(=O)NCCOc2ccc(C#N)cc2)cs1 96439942 OYUROEIBCZCBIV-UHFFFAOYSA-N 344.440 3.016 30 40 EGEB CCc1ccc(N2C[C@H](C(=O)Nc3ccccc3C#N)CC2=O)cc1 8262180 GFFQOSDSCGNQEJ-MRXNPFEDSA-N 333.391 3.112 30 40 EGEB CNc1ccccc(C(=O)/C=C/c2cc(OC)ccc2OC)c1=O 19909674 PUPSJOCQOPIYFP-CSKARUKUSA-N 325.364 3.002 30 40 EGEB C=C(Br)CNC1(c2ccc(F)cc2F)CCOCC1 95985859 GROMWACNGZVGOA-UHFFFAOYSA-N 332.188 3.469 30 40 EGEB C=CCN(CC=C)C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccc(C)cc1 72238272 JANLWFQDFHRCTP-IEBWSBKVSA-N 326.440 3.105 30 40 EGEB CCN(CCNC(=O)CCc1ccc(C#N)cc1)c1ccccc1C 36397873 OAZOMKZXWKPMPX-UHFFFAOYSA-N 335.451 3.442 30 40 EGEB C=CCn1c(C2CC2)nnc1S(=O)(=O)Cc1ccc(Cl)s1 86170192 PFDDAXQXNJDTCT-UHFFFAOYSA-N 343.861 3.030 30 40 EGEB CC[C@]1(C)C[C@@](O)(CC/N=C/c2ccc(OC)c(OC)c2)CCO1 4026762 JPFVAGVFSAETKK-ZWWAOTTBSA-N 335.444 3.223 30 40 EGEB biogenic O=C(O)c1ccc(N/N=C/c2cc(Br)ccc2O)cc1 5344418 XHEPXSZOMOOKPJ-LZYBPNLTSA-N 335.157 3.299 30 40 EGEB CN(C)c1ccc([N+](=O)[O-])cc1C(=O)n1cc(C#N)c2ccccc21 226362852 RASQXHGUXVGEOA-UHFFFAOYSA-N 334.335 3.176 30 40 EGEB N#Cc1c(F)cccc1N1CCC[C@@H](c2nnc3n2CCCCC3)C1 40490269 VEGOKAJTDHRFIE-CQSZACIVSA-N 339.418 3.399 30 40 EGEB CC(C)c1nc(NCCCN2CCOCC2)c(C#N)c2c1CCCC2 20573618 OIWGLLWMVOZPLJ-UHFFFAOYSA-N 342.487 3.090 30 40 EGEB CC(=O)c1sc(NC(=O)CSCC#N)nc1-c1ccccc1 32833272 SPNPGZBPMCDFDI-UHFFFAOYSA-N 331.422 3.208 30 40 EGEB CC(C)(C)[C@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1ccc(F)cc1 53644250 XKJTVDUDSUGVND-IEBWSBKVSA-N 331.435 3.311 30 40 EGEB C[C@H](CNC(=O)Nc1cccc(C#N)c1)CN(C)C(=O)OC(C)(C)C 78644829 HCHKUNAJVLVDKF-CYBMUJFWSA-N 346.431 3.183 30 40 EGEB C=CCOc1ccc([C@@H]2S[C@@H](C)C(=O)Nc3[nH]nc(C)c32)cc1 6678665 PVXIVXAAEVZHPR-NHYWBVRUSA-N 329.425 3.446 30 40 EGEB Cc1ccc(N2C(=O)C[C@H](C3=C(O)CC(C)(C)CC3=O)C2=O)cc1 101418320 HVNCTNFAZZTCGY-CYBMUJFWSA-N 327.380 3.076 30 40 EGEB C#CCn1/c(=N/C(=O)c2ccccc2F)sc2cccc(F)c21 100877862 XYUPHGZPHBZIHX-JZJYNLBNSA-N 328.343 3.355 30 40 EGEB C[C@@H](C/C(O)=N/S(=O)(=O)c1c(Cl)nc2ccccn12)C1CC1 58106642 ZRHGDAIRMKUPFZ-VIFPVBQESA-N 341.820 3.069 30 40 EGEB C=CCSCC(=O)NCC1(c2ccc(OCC)cc2)CCOCC1 58210708 PEKXHVOKBCUSRT-UHFFFAOYSA-N 349.496 3.169 30 40 EGEB N=C1N=C(c2ccccc2)/C(=N/Nc2cccc([N+](=O)[O-])c2)S1 108420350 VYSDRDUSWOHVGB-YFWLICNRSA-N 325.353 3.491 30 40 EGEB N#C[C@@H](C(=O)NCc1ccccc1)c1nc2ccccc2nc1Cl 3313512 OHZQIBAYTUQUKS-CYBMUJFWSA-N 336.782 3.207 30 40 EGEB CCC(=O)c1cc(F)ccc1OCC(=O)Nc1cccc(C#N)c1 6085031 OVTTVCYRBAAHKU-UHFFFAOYSA-N 326.327 3.308 30 40 EGEB CN(C)CCSc1nc(N2CCCC2)c2c(c1C#N)CCCC2 6755515 GAZINRNQIQQXTE-UHFFFAOYSA-N 330.501 3.086 30 40 EGEB COc1nccc(-c2ccc3c4c(ccc3c2)O[C@H](CN)C4)c1C#N 67974375 XMIXERNFOCYHLM-AWEZNQCLSA-N 331.375 3.044 30 40 EGEB C=CCCO[C@H](C)C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 68140840 NCGHKLGHYCRKHP-GFCCVEGCSA-N 349.818 3.030 30 40 EGEB CCc1ccccc1-n1nc(C#N)c(N2CCc3ccccc3C2)n1 256047057 JZORHZWOUIBHKL-UHFFFAOYSA-N 329.407 3.264 30 40 EGEB CC(C)(C)OC(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 204915623 DKKRSQCEMPGOKC-UHFFFAOYSA-N 336.212 3.009 30 40 EGEB COc1cc(/C=C/C(=O)Nc2cccc(C#N)c2)ccc1OCC#N 3603787 YHTUPZOZGJPFQP-SOFGYWHQSA-N 333.347 3.121 30 40 EGEB Cc1c(C(=O)[C@@H](C#N)C(=O)NCc2ccccc2)oc2ccccc12 103503567 DUCQLPJEGIJLLM-MRXNPFEDSA-N 332.359 3.380 30 40 EGEB O=C(/C=C/c1c(Cl)nc2ccccn12)NCC#Cc1ccccc1 42062157 OXDHHAMPNVQSMW-VAWYXSNFSA-N 335.794 3.169 30 40 EGEB Cc1ccc2c(c1C)N=C(O)/C2=N\NC(=S)NC1CCCCC1 23741199 HAFLHJJBNLDVQD-UHFFFAOYSA-N 330.457 3.406 30 40 EGEB N#Cc1cccc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c1 25833599 OEYFWQGWKDAYIC-UHFFFAOYSA-N 330.391 3.454 30 40 EGEB CCn1ncc(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)c1C 6490047 DHYQLEXHPQZRJU-BQYQJAHWSA-N 330.384 3.133 30 40 EGEB Cc1ccc(/C=C/S(=O)(=O)N(CCC#N)Cc2cccnc2)cc1 55985440 AKRNSNLTKFGHPE-UKTHLTGXSA-N 341.436 3.106 30 40 EGEB Cc1nc(C)c(C#N)c(SCC(=O)NC2CCCCCCC2)n1 25959713 DTQVYTGZZJKGBJ-UHFFFAOYSA-N 332.473 3.286 30 40 EGEB N#CC1(C(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)CCCC1 95417400 OBNDGDPDPLDGMV-ZDUSSCGKSA-N 327.211 3.227 30 40 EGEB C[C@H](Sc1ccccc1Cl)C(=O)N[C@]1(C#N)CCSC1 58393101 ADZOMCVGQZRATN-HZMBPMFUSA-N 326.874 3.336 30 40 EGEB Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCN(C)C 97051496 UUHOUWMSSMCFHQ-UHFFFAOYSA-N 338.411 3.342 30 40 EGEB N#Cc1ccccc1NC(=O)COC(=O)c1ccc(F)cc1Cl 3239169 GUPQGRDGTXSXIZ-UHFFFAOYSA-N 332.718 3.146 30 40 EGEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCc4cccnc4)[C@H]3C[C@@H]12 12660196 POMCUIZHMHCWOJ-WVXKDWSHSA-N 340.467 3.485 30 40 EGEB biogenic Oc1ccc(N2CCN(/C(S)=N\Cc3ccccc3)CC2)cc1 13598419 ILQJOZHUJMFHCU-UHFFFAOYSA-N 327.453 3.000 30 40 EGEB C[C@@H](O/N=C/c1ccccc1OC(F)F)C(=O)NC1CCCC1 6559169 ZTDFVWDDOLVJTN-VURRPDKYSA-N 326.343 3.086 30 40 EGEB Cc1cccc(NC(=O)[C@H]2CCCN(Cc3cc(C#N)cs3)C2)n1 91686519 ARAJZHZMNOOBPM-HNNXBMFYSA-N 340.452 3.174 30 40 EGEB N#C[C@H](c1ccccc1)N1CCN(Cc2ccncc2Cl)CC1 88524113 GREBLNPFXGQRRZ-GOSISDBHSA-N 326.831 3.117 30 40 EGEB COc1cccc(COc2nn(Cc3cccc(C)c3)c(N)c2C#N)c1 225845511 FDSVDRHJIQNTCS-UHFFFAOYSA-N 348.406 3.281 30 40 EGEB C=CCOC[C@@H]1CCC[C@@]12CN(C(=O)c1cc(C)oc1C)CCO2 96159906 WTVNDKCUCNHCDO-QFBILLFUSA-N 333.428 3.110 30 40 EGEB N#CCC(=O)Nc1ccc(Oc2cccc(Br)c2)nc1 97377871 UZMODKQYHSNAOG-UHFFFAOYSA-N 332.157 3.489 30 40 EGEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@H]4CCC[C@]4(C)CC[C@H]32)[C@@H]1O 253618223 LGMXWRFZIGLDKL-CFPNMRMMSA-N 346.467 3.421 30 40 EGEB COc1ccccc1/C(C)=N/Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 12846538 IAOLBUYIGWTMAE-MHWRWJLKSA-N 331.284 3.315 30 40 EGEB C[C@@H]1CN(C)[C@H](C)C/C1=N/OC(=O)c1ccc(Br)cc1 1501112 VECVVFWDMWKASS-IJWOGYJESA-N 339.233 3.322 30 40 EGEB COc1ccccc1CC(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl 103504479 LVEDIWRMUODRPY-ZDUSSCGKSA-N 342.782 3.239 30 40 EGEB C=CCN(Cc1ccc(OC)cc1)Cc1cc(=O)n2cc(C)ccc2n1 54271904 LCPNVHTUBAUMJP-UHFFFAOYSA-N 349.434 3.200 30 40 EGEB Cc1nc(C(=O)N[C@@H]2CCCOc3cc(F)ccc32)ccc1C#N 95464380 CJHOKZIMXUYWEB-OAHLLOKOSA-N 325.343 3.045 30 40 EGEB CCSc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2cccc(C)c2)cn1 171035926 WRGVWRXJYKHDOO-OAHLLOKOSA-N 339.420 3.463 30 40 EGEB C=CCNc1nnc(S[C@@H](CC)C(=O)NCc2ccccc2)s1 9112643 NFQADZYQKIARNQ-ZDUSSCGKSA-N 348.497 3.323 30 40 EGEB CC/N=C(/NCc1ccon1)NCC1(Sc2ccccc2)CC1 95965032 KVIWIQRDAIRHMM-UHFFFAOYSA-N 330.457 3.055 30 40 EGEB COc1ccc(Nc2ccc(C#N)cc2[N+](=O)[O-])cc1NC(C)=O 24214395 CENXACUIYAFIOO-UHFFFAOYSA-N 326.312 3.177 30 40 EGEB COc1ccccc1/C=N/n1cnc2sc3c(c2c1=O)CCCC3 44393368 CUMREXAQOCTYFJ-KEBDBYFISA-N 339.420 3.228 30 40 EGEB Cc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccccc1 44974042 UNSRNGSULWDDQC-OAHLLOKOSA-N 335.407 3.279 30 40 EGEB N#C[C@H](C(=O)c1nnn(-c2ccccc2)c1C1CC1)c1ccccn1 96402618 JRTXXUCDZVEREU-HNNXBMFYSA-N 329.363 3.030 30 40 EGEB C[C@H](Nc1cc(N2CCSCC2)ncn1)c1cccc(C#N)c1 617957493 KIGVYDCEKPQDSL-ZDUSSCGKSA-N 325.441 3.075 30 40 EGEB CCC[C@H](C#N)NC(=O)c1cnn(-c2cccc(Br)c2)c1 71883296 BDDZSIFEJZSRAG-CYBMUJFWSA-N 347.216 3.057 30 40 EGEB C[C@H](NC(=O)N[C@H]1CCO[C@@H]1c1ccccc1)c1ccc(C#N)cc1 75092105 QOFZSBVWYJZGPC-ZOCIIQOWSA-N 335.407 3.449 30 40 EGEB COCCNC(=S)N/N=C(\C)c1ccc2c(c1)Cc1ccccc1-2 5866586 JZDOMMKXSMHUPG-FYJGNVAPSA-N 339.464 3.092 30 40 EGEB CCCc1cc(Cl)nc(/N=C(/N)Nc2ccc(F)cc2F)n1 24738356 ZRAQHHZQJMGFOB-UHFFFAOYSA-N 325.750 3.419 30 40 EGEB C#CCn1c([C@@H]2CC(=O)N(c3ccc(C)cc3)C2)nc2ccccc21 14095104 IEZLFGSJUDZKMM-MRXNPFEDSA-N 329.403 3.498 30 40 EGEB CC(C)N(C(=O)COC(=O)c1cccc(CC#N)c1)C1CCCCC1 51537532 RECKQBFFWLNJLF-UHFFFAOYSA-N 342.439 3.479 30 40 EGEB CCc1n[nH]c(SCC(=O)N(CCC#N)c2ccc(C)c(C)c2)n1 21588371 OEHLNXOSDLDIGQ-UHFFFAOYSA-N 343.456 3.023 30 40 EGEB C[C@H](C(=O)N[C@]1(C#N)CCSC1)c1ccc(Br)s1 79860953 SVXANCYFJHFYMD-UFBFGSQYSA-N 345.287 3.130 30 40 EGEB Cc1ccn(Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)c(=O)c1C#N 97114925 IFPPUUPWURRMHY-UHFFFAOYSA-N 337.257 3.004 30 40 EGEB CC(=O)c1c(OC(=O)c2ccc(C#N)cc2)ccc2c(C)cc(=O)oc12 7978917 VUQDGNVXVJVOPV-UHFFFAOYSA-N 347.326 3.395 30 40 EGEB Cn1cc(/C=C2\COc3c(F)cccc3C2=O)c(-c2ccncc2)n1 71834932 YSWCXZFJXFLQHU-NTEUORMPSA-N 335.338 3.280 30 40 EGEB CCOc1cc(C#N)ccc1OCC(=O)N1CC[C@@H]2CCCC[C@H]2C1 8945023 VEAWBNMLSUWCAM-IRXDYDNUSA-N 342.439 3.374 30 40 EGEB N#Cc1cc(F)ccc1NC(=O)N(CCO)[C@H]1CCc2ccccc21 85619498 ZNUHGKVRSBBHCE-SFHVURJKSA-N 339.370 3.211 30 40 EGEB C=C[C@H](C)N1C(=O)S/C(=C/c2cc3c(cc2OCC)OCO3)C1=O 409101157 VZCAFEWGSSOQTC-XVBMGZJVSA-N 347.392 3.425 30 40 EGEB Cc1nc(C)c(S(=O)(=O)/N=C(\O)C2(c3ccccc3)CC2)s1 83150910 XTGHDEQHLPIGBI-UHFFFAOYSA-N 336.438 3.137 30 40 EGEB C[C@H](NCc1cc(C#N)cnc1Cl)[C@H](c1ccccc1)N(C)C 585116731 GYTJMWWGKVOSSH-SUMWQHHRSA-N 328.847 3.388 30 40 EGEB N#C[C@@H]1CCCC[C@H]1OC(=O)C1CCN(C(=O)c2ccccc2)CC1 96442000 COUKHNMYSLETNC-ZWKOTPCHSA-N 340.423 3.164 30 40 EGEB C#C[C@](C)(CC)OC[C@@H](O)CN1CCC(Cc2ccccc2)CC1 96305968 SCCBWLOJLYFAMK-LEWJYISDSA-N 329.484 3.121 30 40 EGEB COc1ccccc1OCC#CCNC(=O)c1ccc(Cl)s1 90610404 HNPRJEMUPHFIHA-UHFFFAOYSA-N 335.812 3.222 30 40 EGEB Cc1cnc(OC[C@H]2CCCN(Cc3ccc(C#N)cc3F)C2)nc1 1776000729 HKZRFUWPRIQYOH-INIZCTEOSA-N 340.402 3.087 30 40 EGEB CC(C)N(CC#CCNC(=O)CSc1ccc(F)cc1)C(C)C 75164496 UDLNFYAKYFPCTQ-UHFFFAOYSA-N 336.476 3.156 30 40 EGEB Cc1ccc(S(=O)(=O)/N=C(\O)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 6083721 REQYSMFQHIJWQO-UHFFFAOYSA-N 348.380 3.214 30 40 EGEB Cc1cc(N/N=C/c2ccc([N+](=O)[O-])o2)c2cc3c(cc2n1)OCO3 5392937 IEKHHPHABYSIRE-REZTVBANSA-N 340.295 3.219 30 40 EGEB CCC(NCCc1nc2ccccc2[nH]1)=C1C(=O)CC(C)(C)CC1=O 100160985 XCDHFEHCLZUSRI-UHFFFAOYSA-N 339.439 3.317 30 40 EGEB N#Cc1c(F)cccc1N1CCN(C[C@@H]2CC2(Cl)Cl)CC1 30968051 WUWXHZVYIGRARE-NSHDSACASA-N 328.218 3.013 30 40 EGEB N#Cc1c(-c2ccccc2)noc1-c1cnc(N)nc1C(F)(F)F 1393320 MZXFYKPIYDOPFQ-UHFFFAOYSA-N 331.257 3.271 30 40 EGEB COc1ccc(C(=O)O/N=C2/C[C@H](C)Oc3cc(OC)ccc32)cc1 6932474 RSCASXITTCAXTL-SJKAGUJJSA-N 341.363 3.436 30 40 EGEB C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]2CC[C@@]2(C)NC(=O)[C@@H](C#N)C[C@H]12 104229119 PXJJMZRPGBMTIG-HYZWYNSYSA-N 326.440 3.137 30 40 EGEB COc1ccc(NC(=O)[C@H](C#N)C(=O)C[C@@H]2CCc3ccccc32)cc1 102752387 VSFSLXWXORNDSR-HNAYVOBHSA-N 348.402 3.463 30 40 EGEB N#C[C@@H](c1ccccc1)N1CCN(C(=O)/C=C/c2cccs2)CC1 12807604 KLJIKQQKHYLPJR-BLGFXRMMSA-N 337.448 3.170 30 40 EGEB Cc1cc(Br)c2c(c1)C(=O)/C(=C\c1csnn1)CO2 48985985 TWWQVJVWQAOGLK-YWEYNIOJSA-N 337.198 3.268 30 40 EGEB Cc1ccc(/C=N/N=C2/NC(=O)[C@H](Cc3ccc(C)cc3)S2)cc1 6009264 JSUBEKSQHNZZRZ-RONKMWSCSA-N 337.448 3.468 30 40 EGEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(C)o1 408793929 GRNJSFHGIGJUFB-INIZCTEOSA-N 335.359 3.329 30 40 EGEB Cc1cc(F)ccc1CCNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 279936965 GCHIIGOWYNOMRJ-SFHVURJKSA-N 335.382 3.047 30 40 EGEB Cc1ccc(C(=O)[C@H](C#N)C(=O)[C@H]2COc3ccccc3C2)s1 100871543 IZZWLDZUOFBECB-ZIAGYGMSSA-N 325.389 3.199 30 40 EGEB CC(C)[C@@](C)(C#N)NC(=O)CN(Cc1ccccc1)Cc1ccco1 42979144 CMWMEMRVEMVMOA-HXUWFJFHSA-N 339.439 3.336 30 40 EGEB C[C@@H](C(=O)N[C@@]1(C#N)CCSC1)c1ccc(Br)s1 79860964 SVXANCYFJHFYMD-PRHODGIISA-N 345.287 3.130 30 40 EGEB C=C1[C@H](O)[C@@]23CC[C@@H]1C[C@@H]2[C@@]12CCC[C@@](C)(CN(CCO)C1)[C@H]2CC3 4726501 KNYGXNFGZONVKK-ZBWDDEHUSA-N 345.527 3.214 30 40 EGEB O=S1(=O)CC/C(=N/OCc2ccccc2)c2cc(Cl)ccc21 10842647 YSSNZCZPAAWHBS-SDXDJHTJSA-N 335.812 3.438 30 40 EGEB C[C@]12CCC[C@]3(CO3)[C@H]1C[C@H]1[C@@H](C2)OC(=O)[C@H]1CN1CCCCCC1 12659736 ZSUPEDHHNCWLCU-OVDOOKCHSA-N 347.499 3.389 30 40 EGEB biogenic COc1ccc(-c2coc3cc(OCC#N)ccc3c2=O)cc1OC 5345361 FSSISQQLLXWUSL-UHFFFAOYSA-N 337.331 3.380 30 40 EGEB biogenic Cn1c(-c2ccccc2)cnc1S(=O)(=O)CCCC(C)(C)C#N 83025164 WGBMOOVCKBOQLV-UHFFFAOYSA-N 331.441 3.191 30 40 EGEB N#Cc1oc2ccccc2c1NC(=O)CN1CCc2sccc2C1 44894496 QNUYFYXXISODGF-UHFFFAOYSA-N 337.404 3.363 30 40 EGEB CC(C)(C)n1cc(C#N)c(NC(=O)[C@@H]2CCC(=O)c3ccccc32)n1 285298486 GSHNVOOSYFPBPD-OAHLLOKOSA-N 336.395 3.209 30 40 EGEB COc1ccccc1OCC#CCNC(=O)Cc1ccccc1Cl 90610389 HBRDACXQWQSKNL-UHFFFAOYSA-N 343.810 3.090 30 40 EGEB C=CCNC(=S)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1 4510926 USEDPBRPVJJZHR-VCHYOVAHSA-N 344.396 3.147 30 40 EGEB CN1C(=O)/C(=C\c2cccnc2)S/C1=N\c1ccc(C(=O)O)cc1 4648614 FOPSQCCUJFYNKD-PKNIGNJESA-N 339.376 3.014 30 40 EGEB COc1cccc([C@H]2Nc3nonc3NC3=C2C(=O)CC(C)(C)C3)c1 12408606 RKMAUOBCBKBZPN-OAHLLOKOSA-N 340.383 3.300 30 40 EGEB C[C@H](/N=C(\O)c1cccc(F)c1)c1cccc(NS(C)(=O)=O)c1 40090008 BXZAKRCMUKGUQI-NSHDSACASA-N 336.388 3.263 30 40 EGEB CN(C)c1ccc(C(=O)ON2C(C)(C)CC(=NO)CC2(C)C)cc1 128938 OVZXDIVGFSENAM-UHFFFAOYSA-N 333.432 3.308 30 40 EGEB C=CCN1C(=O)/C(=C/c2cc3c(cc2Cl)OCO3)SC1=S 1215374 LFBGWFPHZLXAQO-XGICHPGQSA-N 339.825 3.456 30 40 EGEB CC(=O)O/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 1401127 GFWZEYWIQARPTC-MNDPQUGUSA-N 328.755 3.154 30 40 EGEB CCOC(=O)C[C@H](/C=C1/C(=O)[C@]2(C)CC[C@@H]1C2(C)C)C(=O)OCC 100366666 KAUNDGKZMCLVBD-SMZZKWOUSA-N 336.428 3.071 30 40 EGEB CCc1ccc(/N=C2\C(=O)N(CN3CCOCC3)c3ccccc32)cc1 104522637 MTCGTENZAUDUIF-XDOYNYLZSA-N 349.434 3.006 30 40 EGEB COCc1cc(C)nc(SCc2ccc(C(=O)O)cc2)c1C#N 5894094 CTMNOSXVRHYXMV-UHFFFAOYSA-N 328.393 3.399 30 40 EGEB N#Cc1ccc(SCc2ccc(S(=O)(=O)N3CCCC3)o2)cc1 69737851 HLSHTNKVNPGAES-UHFFFAOYSA-N 348.449 3.228 30 40 EGEB Cc1cc(C)nc(NC(=NC(=O)C(C)C)Nc2ccc(F)cc2)n1 18126087 MDBLPUDCNBDSAY-UHFFFAOYSA-N 329.379 3.295 30 40 EGEB N#Cc1ncn(C[C@@H]2CCCO[C@H]2c2ccc(C(F)(F)F)cc2)n1 521394511 GLOGWFOPNOSDJV-WFASDCNBSA-N 336.317 3.336 30 40 EGEB CCCCN/C(O)=N/S(=O)(=O)c1ccccc1-c1ccccc1 36394562 YWWNAIIJUNAUOU-UHFFFAOYSA-N 332.425 3.346 30 40 EGEB C=CCN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccccc1 224672922 HWQWLSYDBKBWFX-UHFFFAOYSA-N 332.381 3.285 30 40 EGEB CCN1CCCN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 91174772 NUQZTRCAOISTGH-UHFFFAOYSA-N 348.450 3.041 30 40 EGEB C[C@H]1C[C@@H](NC(=O)Nc2ccc(CC#N)cc2)C(=O)N1c1ccccc1 96433893 QULRGNGUSNQZEK-KBXCAEBGSA-N 348.406 3.068 30 40 EGEB C=CCNC(=O)COc1ccccc1-c1noc(-c2ccccc2C)n1 33325164 AQWCGVOSPCYQTR-UHFFFAOYSA-N 349.390 3.393 30 40 EGEB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCCCCC4)[C@H]3[C@@H]3O[C@@]132 12660039 GNFFPCUYQGMTPA-BJFZXJCHSA-N 347.499 3.388 30 40 EGEB biogenic COc1cc(CN(C)C(=O)c2ccc(C#N)cc2)ccc1OC(F)F 3404164 FYWHSMXZGFNCEN-UHFFFAOYSA-N 346.333 3.440 30 40 EGEB CC(=O)C[C@]1(O)C(=O)C2=C(OC[C@@H]2C)c2ccc3c(C)cccc3c21 13431681 WQYKPUPMMFGHQW-LAJNKCICSA-N 336.387 3.275 30 40 EGEB biogenic Cc1c(C(=O)/C=C/c2cnc(N3CCOCC3)nc2)oc2ccccc12 65606675 PEVXTXQUFQSKTN-VOTSOKGWSA-N 349.390 3.264 30 40 EGEB C#CCN(Cc1ccc(F)cc1)C(=O)CSCc1ccncc1 65911412 OUKIOKWYTCYMPY-UHFFFAOYSA-N 328.412 3.116 30 40 EGEB CC(=O)c1cc(Cl)ccc1OS(=O)(=O)c1ccccc1C#N 22453790 NLSCTTBFYVDHKO-UHFFFAOYSA-N 335.768 3.182 30 40 EGEB C#CCN1CCC(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 66800577 HRGLTGIRBJCPEG-OAHLLOKOSA-N 341.480 3.365 30 40 EGEB CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@@H]2c1ncc[nH]1)OCO3 18197399 QLHLERFSRHHDHH-INIZCTEOSA-N 337.379 3.339 30 40 EGEB C[C@@H](Cc1cccs1)/C(O)=N/S(=O)(=O)Cc1ccccc1C#N 76759300 HNHQMVHIOAYAKI-LBPRGKRZSA-N 348.449 3.285 30 40 EGEB O=[N+]([O-])c1cccnc1N/N=C/c1cc(Br)cs1 409096363 KYILTCCVPGJCEV-WLRTZDKTSA-N 327.163 3.260 30 40 EGEB CC1=NOC(=O)/C1=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 408940079 NMRMLKNARCEYNO-MHWRWJLKSA-N 338.319 3.490 30 40 EGEB O=C1Nc2c(F)cc(F)cc2/C1=N/Nc1nc2ccccc2s1 223752727 KQKMOTNZCOBOLZ-UHFFFAOYSA-N 330.319 3.343 30 40 EGEB COCCn1nc(C)c(CNc2c(C#N)cnc3c(C)cccc23)c1C 96424106 GNVKBACJISGEEM-UHFFFAOYSA-N 349.438 3.487 30 40 EGEB N#Cc1ccc(NC(=O)c2ccnc(OCC3CCOCC3)c2)cc1 253472331 LKJOFGMDEZNNCB-UHFFFAOYSA-N 337.379 3.011 30 40 EGEB N#Cc1cccc(CNC(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)c1 160155451 PSXYCLJAJWZILB-GOSISDBHSA-N 337.379 3.048 30 40 EGEB CCOC(=O)C[C@H](/C=C1\C(=O)[C@@]2(C)CC[C@H]1C2(C)C)C(=O)OCC 245239526 KAUNDGKZMCLVBD-BHWRMADESA-N 336.428 3.071 30 40 EGEB C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(-c2ncon2)cc1 107134270 QRQDAZVYMGGKLS-UHFFFAOYSA-N 344.374 3.437 30 40 EGEB C=CCN(CC(F)(F)F)C(=O)/C=C/c1ccc(NC(C)=O)cc1 58341497 FXFAEGPTWPYELS-RMKNXTFCSA-N 326.318 3.235 30 40 EGEB COc1ccc(OC)c([C@@H](C)NC(=O)CCc2ccc(C#N)cc2)c1 10759541 FMTQRPANAFZOGZ-CQSZACIVSA-N 338.407 3.385 30 40 EGEB COC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2c(C#N)cnn12 20605736 OBEVWRRNVDKIEI-UHFFFAOYSA-N 347.161 3.361 30 40 EGEB N#Cc1ccccc1N1CCCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1 65497258 PJYMLKCAVJJBQX-PMACEKPBSA-N 345.446 3.401 30 40 EGEB CC(=O)Nc1ccc(/C(C)=N/OCc2ccc3c(c2)OCCO3)cc1 65947753 BOGIJWKRIKDQTP-FYJGNVAPSA-N 340.379 3.357 30 40 EGEB C[C@@H](NC(=O)c1cc(C#N)cs1)c1ccc2c(c1)OCCCO2 96460062 KRPOJMHYGGIWEV-LLVKDONJSA-N 328.393 3.272 30 40 EGEB C[C@@H](OC(=O)c1cc2c(s1)CCC2)C(=O)Nc1sccc1C#N 7258071 FSOJEALIWHNQHI-SECBINFHSA-N 346.433 3.354 30 40 EGEB COC(=O)COc1ccc(/C=N\c2ccc(OC)cc2OC)cc1 408806763 BQLSOPBXJZGCHB-ODLFYWEKSA-N 329.352 3.006 30 40 EGEB C#CCOc1ccccc1CN1CCC[C@H](c2nnc3ccccn23)C1 97032576 KFWVFXYNOKYADW-SFHVURJKSA-N 346.434 3.121 30 40 EGEB C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccnc(OCC)c1 95398246 ZCAQQWRPOJJNNR-UHFFFAOYSA-N 346.390 3.229 30 40 EGEB Cc1ccc(Cl)cc1N1CCN(c2ccc(N)cc2C#N)CC1 20135172 QUQSPTFGDOKCMA-UHFFFAOYSA-N 326.831 3.429 30 40 EGEB C=CCn1c(SCN2CCCCC2=O)nnc1-c1ccccc1F 96500541 FMINXYJJKOSXSC-UHFFFAOYSA-N 346.431 3.332 30 40 EGEB CCCCCCCCc1ccc2c(c1)CC[C@@H](C(N)(CO)CO)C2 49781167 FCWUGFDEMJLPMH-HXUWFJFHSA-N 333.516 3.377 30 40 EGEB C#CCOc1ccc(/C=C2/N=C(c3ccccc3C)OC2=O)cc1OC 5016768 PJFKBBFWSYPCJR-SFQUDFHCSA-N 347.370 3.360 30 40 EGEB COC[C@H](C)n1c(C)cc(C(=O)COc2ccc(C#N)cc2)c1C 5108553 XYCVCGKJBARHPX-AWEZNQCLSA-N 326.396 3.446 30 40 EGEB Cc1ccc(OCC(=O)N[C@@](C)(C#N)C(C)C)c(Br)c1 13135295 QTIWSZUGMYDCCQ-HNNXBMFYSA-N 339.233 3.191 30 40 EGEB Cc1cc(C)nc(N/N=C/C2=C(O)C[C@H](c3ccccc3)CC2=O)n1 100130970 FQQPRJXWIHJAJR-BBJIBYMTSA-N 336.395 3.450 30 40 EGEB Cc1cccc(C(C)C)c1NC(=O)CO/N=C(\N)c1cccs1 50512852 DSBGBAGLWMMHSL-UHFFFAOYSA-N 331.441 3.456 30 40 EGEB Cc1nnc(NC[C@H](c2ccco2)N2CCCCC2)c(C#N)c1C 24053510 JLRHBGDKNDYQAA-MRXNPFEDSA-N 325.416 3.197 30 40 EGEB C[C@H]1CN(C)[C@H](C)C/C1=N/OC(=O)c1ccc(Br)cc1 3897065 VECVVFWDMWKASS-RWDYHCEOSA-N 339.233 3.322 30 40 EGEB COc1ccc(-n2c(Cc3ccccc3)nnc2SCC#N)cc1 4959851 AHXUWUZCTULSBG-UHFFFAOYSA-N 336.420 3.482 30 40 EGEB C=CCOc1c(Cl)cc(CNn2c(C)n[nH]c2=S)cc1OC 7541562 VHOKFGVJKHJFQJ-UHFFFAOYSA-N 340.836 3.220 30 40 EGEB C=CCn1c(SCC(=O)c2ccc[nH]2)nnc1-c1ccoc1C 12600869 JILWWABHRLAAFT-UHFFFAOYSA-N 328.397 3.336 30 40 EGEB CN(CC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(F)cc1 3542004 BHZBCXZJVPPGIF-UHFFFAOYSA-N 343.427 3.318 30 40 EGEB Cc1nc(C2CC2)nc(SCC(=O)NCc2cccs2)c1C#N 13005806 KLLHZEVUILIOQW-UHFFFAOYSA-N 344.465 3.004 30 40 EGEB CC(C)N(CCC#N)C(=O)Cc1cn2cc(Cl)cc(Cl)c2n1 65576301 RENLNXPCRFYGFB-UHFFFAOYSA-N 339.226 3.334 30 40 EGEB CN1/C(=C\C(=O)COC(=O)c2cccn2C)C(C)(C)c2ccccc21 4500242 LNKILOUBFAHHCF-PDGQHHTCSA-N 338.407 3.063 30 40 EGEB COC(=O)c1c(C)[nH]c(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1C 4832176 LVYZHGIFTRPMSO-BQYQJAHWSA-N 328.324 3.222 30 40 EGEB N#Cc1ccc(CNC(=O)Nc2cccc(Cn3cccn3)c2)c(F)c1 69654525 CLFFGQAUQWSNKM-UHFFFAOYSA-N 349.369 3.264 30 40 EGEB N#Cc1c(N)nc2c(c1-c1ccco1)CN(Cc1ccccc1)CC2 18241854 KFUUNTKCCUNIKW-UHFFFAOYSA-N 330.391 3.354 30 40 EGEB C#CCN1CCCC[C@@H]1C(=O)N[C@H]1CCSc2ccc(C)cc21 72270369 RJEHKAOAKJWPDO-DLBZAZTESA-N 328.481 3.136 30 40 EGEB C[C@@H](C/C(O)=N/S(=O)(=O)c1ccc(F)c(F)c1)n1cccc1 95398093 MWDVTHJKVNUMAT-JTQLQIEISA-N 328.340 3.063 30 40 EGEB N#Cc1ccc(NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)nc1 95941009 PSBDNRMMAXGKNB-UHFFFAOYSA-N 342.207 3.202 30 40 EGEB C=CCN1CCC(NC(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)CC1 188691890 ZWJIQEZVMFXLRZ-AWEZNQCLSA-N 347.425 3.257 30 40 EGEB C[C@@H](/C(O)=N/S(=O)(=O)Cc1cc(-c2ccccc2)no1)C1CC1 95407451 XUJRYZOVZREOPJ-LLVKDONJSA-N 334.397 3.174 30 40 EGEB C=CCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)C1CCC1)C2 585106995 NLPCGSWDCQRHCD-NRFANRHFSA-N 348.450 3.106 30 40 EGEB C=CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(C#N)cc3)c2C)C1=O 479353 PEPNWBPALRDDNJ-WOJGMQOQSA-N 346.390 3.045 30 40 EGEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc2c1CCCC2 14633203 MGVHSOPJUAVOQA-UHFFFAOYSA-N 349.434 3.314 30 40 EGEB Cc1cccc(N2CCN(C(=O)/C=C/c3ccc(C#N)cc3)CC2)c1 16281341 BHUMHLNNJCJPRO-MDZDMXLPSA-N 331.419 3.229 30 40 EGEB O=C1c2c(F)c(F)c(F)c(F)c2C(=O)N1c1c(F)cc(F)cc1F 16383333 UPERVDYMJXERJA-UHFFFAOYSA-N 349.161 3.461 30 40 EGEB N#Cc1ccc(OCC(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 11975923 KHBNBAKIDZQVNR-UHFFFAOYSA-N 331.375 3.003 30 40 EGEB Cc1ccc(C(=O)c2c(C(=O)O)oc3cc(C#N)c(C#N)cc23)cc1 96336800 OGUDUNMIEGDTLS-UHFFFAOYSA-N 330.299 3.414 30 40 EGEB CCOc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCC(N)=O 361121 LYASGWZTGVGUKG-SRZZPIQSSA-N 326.396 3.317 30 40 EGEB Cc1cc(C(=O)OCc2cc(C#N)ccc2F)c2c(C)noc2n1 32869407 WYSPUCYBGQLUEK-UHFFFAOYSA-N 325.299 3.207 30 40 EGEB Fc1cccc(Cl)c1/C=N/n1c(S)nnc1-c1ccncc1 1260480 QPXOTMDMICNERR-QGMBQPNBSA-N 333.779 3.304 30 40 EGEB CCc1oc(C(=O)Nc2ccc(-n3cc(C#N)c(N)n3)cc2)cc1C 95415335 IOYUPAIZIPHWTP-UHFFFAOYSA-N 335.367 3.042 30 40 EGEB N#C[C@@H](c1nc2ccccc2nc1Cl)S(=O)(=O)c1ccccc1 3278428 XDUDZMHWULSAEP-AWEZNQCLSA-N 343.795 3.322 30 40 EGEB CN(Cc1cccnc1)C(=O)c1ccc(COc2ccccc2C#N)o1 48183231 RHYXWNUYBNUKJL-UHFFFAOYSA-N 347.374 3.397 30 40 EGEB Cc1ccccc1C(=O)NC1CCN(c2cccc(F)c2C#N)CC1 48290271 ONXVYVRNIJAFKZ-UHFFFAOYSA-N 337.398 3.405 30 40 EGEB N#Cc1ccc(NC(=O)COC(=O)CCc2c[nH]c3ccccc23)cc1 6930331 REIPGBXOOUBTEJ-UHFFFAOYSA-N 347.374 3.154 30 40 EGEB Cc1cc(N)nc(S[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)n1 7177501 YARYWGCFCAZBBE-SECBINFHSA-N 347.831 3.012 30 40 EGEB Cc1nc(C)n(C[C@H]2CCCCN2Cc2cn3ccccc3c2C#N)n1 69819562 MHHWOWHAAHLYJH-GOSISDBHSA-N 348.454 3.074 30 40 EGEB COc1cc(OC)c(OC)cc1/C=N/N1C(=O)C[C@@H]1c1ccccc1 71281518 DHVWVZSFPIBYAN-RVZJCZPVSA-N 340.379 3.020 30 40 EGEB CCc1nc(C(=O)[C@@H](C#N)c2nc(O)c3ccc(Cl)cc3n2)co1 97097970 LGZWGKULBHTKQT-SNVBAGLBSA-N 342.742 3.029 30 40 EGEB Cc1nn(C)c2ncc(C(=O)Oc3ccc(C#N)c(Cl)c3)cc12 188852046 ADRQLMZNDMGNMK-UHFFFAOYSA-N 326.743 3.021 30 40 EGEB COc1ccccc1[C@H]1C2=C(CC(C)(C)CC2=O)Nc2c(C#N)cnn21 44893695 ORGZUBNQOZYOEN-SFHVURJKSA-N 348.406 3.421 30 40 EGEB CCn1c(NC(=O)c2ccc([N+](=O)[O-])cc2C)nc2cc(C#N)ccc21 132013674 FNXGFTZBZODLHR-UHFFFAOYSA-N 349.350 3.397 30 40 EGEB C=CCN(c1ccc(CC#N)cc1)S(=O)(=O)c1ccc(F)cc1 224914213 QVJCJNXCRSDLFN-UHFFFAOYSA-N 330.384 3.273 30 40 EGEB COc1ccc([C@@H]2NC(=O)c3ccccc3N2)cc1OCCCC#N 64613141 UBPKHAXUIRGLOO-SFHVURJKSA-N 337.379 3.232 30 40 EGEB O=C(C#Cc1ccccc1)N(Cc1ccncc1)Cc1cccnc1 80641153 AOFGYZAOCMFOIY-UHFFFAOYSA-N 327.387 3.057 30 40 EGEB Cc1nc(CCC(=O)NCC#Cc2ccccn2)oc1-c1ccccc1 89558241 OINLXZOLUPCCFU-UHFFFAOYSA-N 345.402 3.146 30 40 EGEB COC(=O)c1sc(NC(=O)c2cccc(C)c2OC)c(C#N)c1C 14258570 LXKNVZXJWWJUGB-UHFFFAOYSA-N 344.392 3.284 30 40 EGEB COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)cc1Cl 204117589 YGILACHSZKSTEJ-UHFFFAOYSA-N 331.004 3.079 30 40 EGEB O=C1CCCC2=C1[C@@H](c1ccc(Br)cc1)n1ncnc1N2 66995 UPWBPVRNDNEUDK-CQSZACIVSA-N 345.200 3.063 30 40 EGEB COc1cc(C#N)ccc1O[C@@H](C)C(=O)Nc1ccc(C)cc1F 21618410 VWILWLZNKJCDMN-LBPRGKRZSA-N 328.343 3.420 30 40 EGEB CC1(C)CN(CC2=CC(=O)n3c(nc4ccccc43)[C@@H]2C#N)C1(C)C 79475113 WONPXOIIGSBEGE-CQSZACIVSA-N 334.423 3.344 30 40 EGEB N#Cc1ccsc1N1CC[C@H](Sc2nnc(C3CC3)s2)C1=O 83095804 LDQDQEKHEGQEPU-JTQLQIEISA-N 348.478 3.246 30 40 EGEB O=S(=O)(NC1CC1)c1ccc(NN=C2CCCCCCC2)nc1 46099346 ABMCGXXJGDOOLB-UHFFFAOYSA-N 336.461 3.035 30 40 EGEB N#C[C@@H](C(=O)[C@@H]1CC(c2cccc(F)c2)=NO1)c1nc2ccccc2[nH]1 48813583 PHNGRQBCPQHXRA-GUYCJALGSA-N 348.337 3.071 30 40 EGEB COCCNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 65590545 CRKFPYFASPNEAB-UHFFFAOYSA-N 341.386 3.056 30 40 EGEB N#Cc1nc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)[nH]c1C#N 69376612 XPSOZNIEWCPYKL-DTWKUNHWSA-N 346.177 3.202 30 40 EGEB C[C@@H]1CCCCN1C(=O)CSc1nc2ccccc2n1CCC#N 8710126 SGSJWINCMBRYDK-CQSZACIVSA-N 342.468 3.443 30 40 EGEB C#CCOc1ccc(NC(=O)N[C@H](CCCO)c2ccccc2)cc1 72294245 QGIGYAHZOMVAFU-LJQANCHMSA-N 338.407 3.334 30 40 EGEB Cc1nn(C)c(Cl)c1[C@@H]1CCCN1C(=O)c1ccc(C#N)cc1 75602145 VKPBKDQWFRXDAP-AWEZNQCLSA-N 328.803 3.231 30 40 EGEB COc1ccc(-c2cc3ccc(OCC#N)cc3oc2=O)cc1OC 2228248 HRZRDNLQYSCACG-UHFFFAOYSA-N 337.331 3.380 30 40 EGEB biogenic C=CCOC[C@@H]1CN(Cc2ccsc2)Cc2nnn(CC3CC3)c21 96045634 YMHQIKIHXWMUIM-INIZCTEOSA-N 344.484 3.052 30 40 EGEB CN(C(=O)c1csc(=Nc2cc(F)cc(F)c2)[nH]1)C1(C#N)CCC1 596911193 NSBAEIQAKZOQAW-UHFFFAOYSA-N 348.378 3.105 30 40 EGEB CC(C)(C)OC(=O)n1ccc2c(B3OC(C)(C)C(C)(C)O3)cncc21 953101205 LIDKXEVWJGERKJ-UHFFFAOYSA-N 344.220 3.119 30 40 EGEB Cc1ncsc1CN1CCC[C@H](COc2cc(C#N)ccn2)C1 1776008723 NUFNJEFNSSGMDB-HNNXBMFYSA-N 328.441 3.009 30 40 EGEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@@H]2CC[C@]2(C)CCC[C@H]32)[C@@H]1O 2049251862 LGMXWRFZIGLDKL-IRPDIANVSA-N 346.467 3.421 30 40 EGEB CN(CC(=O)N1CCC[C@@H]1c1ccsc1)Cc1ccc(C#N)cc1 52580860 BERLSTWYBWRGPW-GOSISDBHSA-N 339.464 3.415 30 40 EGEB CCCCCCCC(=O)Nc1ccc(S(=O)(=O)N(C)OC)cc1 102933582 JJLKRQIDUJFLPH-UHFFFAOYSA-N 342.461 3.168 30 40 EGEB CCCCCCCCC1(CCc2ccncc2)C(=O)NC(=O)NC1=O 103593912 FTGZNXMRWGUIBS-UHFFFAOYSA-N 345.443 3.117 30 40 EGEB CCN(CC(=O)Nc1sccc1C#N)Cc1c(F)cccc1F 58329972 AIYCYICBBQFFQR-UHFFFAOYSA-N 335.379 3.359 30 40 EGEB Cc1ccc(S(=O)(=O)/N=C(\O)[C@@H]2CC2(Cl)Cl)cc1Cl 80298542 CDZNHOUDMRNTPL-QMMMGPOBSA-N 342.631 3.487 30 40 EGEB N#Cc1cccc(OCCCCC(=O)N2CCO[C@@H]3CCCC[C@@H]32)c1 71894066 BOWMVZHCUZIGFA-RBUKOAKNSA-N 342.439 3.277 30 40 EGEB C=CCO[C@H](C)C(=O)N1CCC[C@H]1c1nc(-c2ccccc2F)c[nH]1 72292902 NANOFHSEEWFBQJ-DYVFJYSZSA-N 343.402 3.470 30 40 EGEB O=c1c2ccccc2nc(O)n1N=Cc1ccc(-c2ccc(F)cc2)o1 409364158 VMGCUSZMVLKBPI-UHFFFAOYSA-N 349.321 3.383 30 40 EGEB CCOc1ccccc1/C=N\NC(=S)Nc1ccc2cn[nH]c2c1 33657859 JUIHFTLZYUPKJQ-ODLFYWEKSA-N 339.424 3.282 30 40 EGEB COc1ccc(/C=N/Nc2nc3ccccc3nc2Cl)cc1O 32647167 XGMNBCMLEWMGBE-GIJQJNRQSA-N 328.759 3.443 30 40 EGEB C=CCn1c(SCc2cncc(F)c2)nnc1-c1ccccn1 330032444 NCHRDKKPLINXOI-UHFFFAOYSA-N 327.388 3.353 30 40 EGEB C=CC[C@@H]1N(C(=O)c2ccc(OCC(=O)O)cc2)CCCC1(C)C 621540476 ZTKNTERJFDKFQA-INIZCTEOSA-N 331.412 3.357 30 40 EGEB N#CCC(=O)c1ccc(I)c(Br)c1 169799930 MTCCTDOOVOZALE-UHFFFAOYSA-N 349.953 3.150 30 40 EGEB COc1ccc(/C=N/NC(=S)Nc2ccc(OC)c(OC)c2)cc1 3260303 JBSIIJCGIITPBD-WOJGMQOQSA-N 345.424 3.033 30 40 EGEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1cccnc1)n1ncnc1N2 18197306 JMLDQNCADHTWMO-SJCJKPOMSA-N 349.419 3.150 30 40 EGEB C=CCc1cccc2cc(C(=O)Nc3ccccc3C(=O)O)c(=O)oc12 206679 JKDGLPWBQHDXKB-UHFFFAOYSA-N 349.342 3.472 30 40 EGEB N#Cc1c(N)nc2c(c1-c1ccco1)C(N)=Nc1ccccc1S2 20094943 CEGBCHSUKWDYSP-UHFFFAOYSA-N 333.376 3.297 30 40 EGEB N#CCc1ccc(OC[C@@H](O)CN(Cc2cccs2)C2CC2)cc1 51407816 DPMYLMZPEJNJEC-KRWDZBQOSA-N 342.464 3.218 30 40 EGEB O=S(=O)(N/N=C/c1c(F)cccc1Cl)c1ccc(Cl)cc1 369507 FEZZNCVKHNHFSU-CAOOACKPSA-N 347.198 3.445 30 40 EGEB C#CCNC(=O)c1ccc(-c2cccc(Br)c2)nc1C 22762810 BMQUKXXQHPQGMT-UHFFFAOYSA-N 329.197 3.183 30 40 EGEB CCCCC(=O)OC1=C(Br)C(=O)c2ccccc2C1=O 1717534 XDMVNMLVZPQPLZ-UHFFFAOYSA-N 337.169 3.406 30 40 EGEB COc1ccc(-c2nc3ccc(Cl)cc3n2OC(=O)N(C)C)cc1 1389350 XUQKCALBMTZLPZ-UHFFFAOYSA-N 345.786 3.476 30 40 EGEB C=CCCC(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2)c1 59520246 PXRSVJHYDHIKQR-UHFFFAOYSA-N 330.409 3.392 30 40 EGEB O=C1[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1c(O)ccc2ccccc12 100175934 FGSNUPZWVPHNII-FYHYWYESSA-N 346.386 3.077 30 40 EGEB O=S(=O)(/N=C(\O)c1c[nH]c2ccccc12)Nc1ccc(Cl)cc1 6662697 NFTUAFRTGSBRBV-UHFFFAOYSA-N 349.799 3.483 30 40 EGEB N#Cc1nc(NC(=O)CCc2cccc(OC3CCCC3)c2)[nH]c1C#N 69376573 FLKMJOHYHZFODK-UHFFFAOYSA-N 349.394 3.046 30 40 EGEB Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)c2sccc2C#N)n1 72279977 OMSYPEUSAKHRHZ-HNNXBMFYSA-N 328.441 3.128 30 40 EGEB CSc1nc(O)c(C(=O)N[C@H]2c3ccccc3C[C@H]2C)cc1C#N 77009812 KBAKZJWNAYVRJV-MEBBXXQBSA-N 339.420 3.044 30 40 EGEB Cc1ncc(/C=C/C(O)=N/S(=O)(=O)c2ccc(F)c(F)c2)s1 79029112 LPILEDRRVKDLKQ-GORDUTHDSA-N 344.364 3.088 30 40 EGEB CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)[C@H](O)C[C@@H]4[C@H]3CC[C@]12C 257345802 JKBAFSADZLHGPF-OWWVAZJMSA-N 332.440 3.031 30 40 EGEB CC(C)=NO[C@@H]1CCCC[C@H]1OS(=O)(=O)c1ccc(C)cc1 5395420 OMUVFWCYEFCHGJ-HZPDHXFCSA-N 325.430 3.424 30 40 EGEB Cc1ccc(-c2noc(CO/N=C(/N)c3ccc(F)cc3)n2)cc1 50513478 ZJSQPZSYPGLZRF-UHFFFAOYSA-N 326.331 3.021 30 40 EGEB Cc1nc2ccccc2c(=O)n1/N=C/c1cccc(Br)c1 547985 ZQYMXEKIZJJCRH-VCHYOVAHSA-N 342.196 3.350 30 40 EGEB CCOc1ccc(/C=N/NC2=NC(=O)[C@@H](c3ccccc3)S2)cc1 1415584 VKMMORJHOTWKBY-PUMYGXPMSA-N 339.420 3.380 30 40 EGEB C#CCN(Cc1ccc(F)cc1)C(=O)c1cc(=O)c2ccccc2o1 58269109 XFWULQAXWJGUKU-UHFFFAOYSA-N 335.334 3.208 30 40 EGEB CC(C)N(C(=O)CO/N=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 3299661 APJKDAOJMPREKM-XDHOZWIPSA-N 341.367 3.387 30 40 EGEB N#Cc1ccc(C(=O)OCC(=O)c2cccc(Br)c2)cc1 3239859 RCDZZOXMTYWUBS-UHFFFAOYSA-N 344.164 3.360 30 40 EGEB Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=N\O)cc1 100250101 MTPHCMOBPMUDKM-SXGWCWSVSA-N 325.773 3.224 30 40 EGEB Cc1ccc(Cl)cc1NC(=O)C[n+]1cccc(Br)c1 3316507 VKXGGBHWXXTKBD-UHFFFAOYSA-O 340.628 3.337 30 40 EGEB COc1ccc2[nH]cc(C[C@H](C#N)C(=O)NCc3ccccc3)c2c1 61721060 VGRKWJHIWJNBDJ-OAHLLOKOSA-N 333.391 3.175 30 40 EGEB CCC(=O)Nc1cccc(C(=O)N[C@H](C#N)c2ccc(F)cc2F)c1 68416293 NCGGYXAJYGITPQ-MRXNPFEDSA-N 343.333 3.308 30 40 EGEB CCc1ccc(C[C@@H]2S/C(=N\N=C\c3ccco3)NC2=O)cc1 8200760 QLSRNIDZECFFQB-LZNAANCOSA-N 327.409 3.006 30 40 EGEB N#Cc1nc(NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)[nH]c1C#N 69376608 XPSOZNIEWCPYKL-BDAKNGLRSA-N 346.177 3.202 30 40 EGEB CCCCN(C)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 92423528 HKAOUCBCXXIWOX-UHFFFAOYSA-N 330.432 3.085 30 40 EGEB C#CCOC(=O)c1ccc(OCc2cccnc2)c(Br)c1 216844728 RXHDMHDJZDTUJD-UHFFFAOYSA-N 346.180 3.213 30 40 EGEB N#CCCSc1nnc(NC(=O)c2cc(-c3ccco3)on2)s1 48984941 LVWZNVIFXUCHLZ-UHFFFAOYSA-N 347.381 3.044 30 40 EGEB C=CCOc1ccc(NC(=O)C2(NC(=O)c3cccs3)CC2)cc1 225929680 YLTQKOADCNWZHV-UHFFFAOYSA-N 342.420 3.214 30 40 EGEB Cc1nc(-c2cccc(C#N)c2)nn1CCC(=O)Nc1ccccc1 95438941 BXTMDJWKWDRYPU-UHFFFAOYSA-N 331.379 3.154 30 40 EGEB Cc1ccc2nc(C)cc(C(=O)[C@@H](C#N)C(=O)Nc3ccccn3)c2c1 102051200 SBAOERMWQKDNFG-MRXNPFEDSA-N 344.374 3.208 30 40 EGEB N#CCSc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCC3 5001010 KIMVYEAHYWRKLX-UHFFFAOYSA-N 343.433 3.204 30 40 EGEB CCn1c(SCC(=O)NC2(C#N)CCCCC2)nc2ccccc21 4484530 OKYFUUDWXGOIGS-UHFFFAOYSA-N 342.468 3.491 30 40 EGEB C#CCN1CCC(C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)CC1 50024659 RAZKPZPYXSERFM-ZDUSSCGKSA-N 338.373 3.228 30 40 EGEB N#Cc1ccc(N2CCC(C(=O)N3CC[C@@H]3c3ccccc3)CC2)nc1 53083597 DSENEEIOVGPKIV-LJQANCHMSA-N 346.434 3.143 30 40 EGEB C=CCn1c(SC)nc2sc3c(c2c1=O)C[C@@H](C(C)C)OC3 519873 MODQMRGIDRRSDR-NSHDSACASA-N 336.482 3.463 30 40 EGEB C=C(C)COc1nc2c3c4c(sc3ncn2n1)COC(C)(C)C4 12409710 UXXFSEZPUQBLQV-UHFFFAOYSA-N 330.413 3.145 30 40 EGEB COc1cccc([C@H](C#N)NC(=O)Cc2cccc(Cl)c2)c1OC 78510868 YIIIHODEPZSNHF-HNNXBMFYSA-N 344.798 3.281 30 40 EGEB COc1ccc2nc(C)c(C(=O)NCC#Cc3ccccc3)cc2c1 55317699 SHTBFWARALXVQN-UHFFFAOYSA-N 330.387 3.333 30 40 EGEB CCCCOc1ccc([C@H]2C(C(C)=O)=C(C)Nc3ncnn32)cc1 4342111 HAKWZEOGDQLIGH-KRWDZBQOSA-N 326.400 3.335 30 40 EGEB CN(C)[C@@H](CNC(=O)/C=C/c1ccc(C#N)cc1)c1cccs1 57381832 WHBCLZKWJDQHMT-SCOAYWHSSA-N 325.437 3.052 30 40 EGEB COc1ccc(NCC(=O)NC2(C#N)CCCC2)c(C(F)(F)F)c1 58136762 LWQMXQMRCOUDPU-UHFFFAOYSA-N 341.333 3.078 30 40 EGEB CCOc1ccccc1NC(=O)c1ccc(OCC#N)c(OC)c1 3378911 KLZBZYYRYCHVJM-UHFFFAOYSA-N 326.352 3.249 30 40 EGEB CCC(CC)c1nnc(NC(=O)COc2ccccc2C#N)s1 3402379 QTPJCFPFKUEOCQ-UHFFFAOYSA-N 330.413 3.331 30 40 EGEB Cc1cccc(OCc2nc(C#N)c(NCCCn3ccnc3)o2)c1 13465413 VLUWSEUDIBZEGH-UHFFFAOYSA-N 337.383 3.132 30 40 EGEB N#Cc1c(-c2cccc(O)c2)cc(-c2ccc3c(c2)OCO3)nc1N 67674438 AHVSXRDXHOAXKS-UHFFFAOYSA-N 331.331 3.304 30 40 EGEB CCc1nn(-c2cc(Oc3cc(C)cc(C)c3)nc(C)n2)c(N)c1C#N 19910313 UDMJKDQIKRGGNX-UHFFFAOYSA-N 348.410 3.396 30 40 EGEB Cn1cc(Nc2cccc(C(=O)N[C@H](C#N)c3ccccc3F)c2)cn1 90525345 ARZOZEUNBKLZEW-GOSISDBHSA-N 349.369 3.297 30 40 EGEB N#Cc1ccccc1COC(=O)CCc1cnn(-c2ccccc2)c1 16258123 HPHCMXNJBHRDNN-UHFFFAOYSA-N 331.375 3.420 30 40 EGEB C[C@@H](SC[C@H](O)c1ccccc1)C(=O)NC1(C#N)CCCCC1 83966399 LBRZQGSKIHFCNA-ZBFHGGJFSA-N 332.469 3.184 30 40 EGEB C=CCn1nc(C)c(CCC(=O)NC2CC(C)(C)NC(C)(C)C2)c1C 72242976 IEBOGTHRWCDHOW-UHFFFAOYSA-N 346.519 3.044 30 40 EGEB Cc1ncsc1CN1CCC[C@@H](COc2cc(C#N)ccn2)C1 1776008724 NUFNJEFNSSGMDB-OAHLLOKOSA-N 328.441 3.009 30 40 EGEB Cc1ccc(S(=O)(=O)N/N=C2\CC(C)(C)CC(=O)C2(C)C)cc1 5201735 SDDNDZSHMKXSMT-NBVRZTHBSA-N 336.457 3.045 30 40 EGEB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cccc(C#N)c1 12915303 OUASPUVQNXDYDY-UHFFFAOYSA-N 330.391 3.075 30 40 EGEB C=CCOc1nc2c3c4c(sc3nc(C)n2n1)COC(C)(C)C4 32094777 WIQYHRIXFLPQAR-UHFFFAOYSA-N 330.413 3.064 30 40 EGEB CC(C)(C)c1ccc(C(=O)CSc2ncc(C#N)c(N)n2)cc1 23105931 WIIHJOBAPGXJLH-UHFFFAOYSA-N 326.425 3.203 30 40 EGEB CC1=CC(=C2C(=O)c3ccccc3C2=O)C=CN1CCN1CCCC1 1617351 JSYYQGHJOVQMFE-UHFFFAOYSA-N 334.419 3.191 30 40 EGEB CCN(CC)c1ccc(/C=N/c2ccc3c(c2)n(C)c(=O)n3C)cc1 1502229 QRJRVOBRRWJWEB-KGENOOAVSA-N 336.439 3.474 30 40 EGEB C[C@@H]1CCCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1 58315189 BHFXKMRZHQROSH-CQSZACIVSA-N 329.419 3.172 30 40 EGEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)Cc1ccccc1F 3530001 PWKCTGKSFWXLLN-UHFFFAOYSA-N 346.745 3.075 30 40 EGEB N#CC1CCN(C(=O)NCCc2ccc(C(F)(F)F)cc2)CC1 65609927 KRJNSTLCFJPMBL-UHFFFAOYSA-N 325.334 3.193 30 40 EGEB O=C(Nc1ccc2c(c1)OCCO2)C(F)(F)C(F)(F)C(F)(F)F 5770000 GESXVDXZDUVWAY-UHFFFAOYSA-N 347.186 3.229 30 40 EGEB Cc1cc(C)c(C#N)c(S[C@@H](C)C(=O)Nc2c(C)nn(C)c2C)n1 7371390 LCIFHJGRABXQIA-ZDUSSCGKSA-N 343.456 3.040 30 40 EGEB C[C@H]1C[C@@H](NS(=O)(=O)Cc2cccc(C#N)c2)c2ccccc21 71888409 MKUUIFAYXCRXDA-SCLBCKFNSA-N 326.421 3.226 30 40 EGEB N#Cc1ccc(SCCC(=O)Nc2ccc(-n3ccnc3)nc2)cc1 69815613 VKQDLEAUZZUECE-UHFFFAOYSA-N 349.419 3.260 30 40 EGEB Cc1ccc2c(c1)CC[C@@H]2NS(=O)(=O)c1ccc(Cl)c(C#N)c1 511929081 XEBLEPGTJWNZRO-KRWDZBQOSA-N 346.839 3.486 30 40 EGEB N#Cc1c(N)nc(SCc2ccc(F)cc2)nc1C(F)(F)F 225894553 WODOTDJDTVTPML-UHFFFAOYSA-N 328.294 3.381 30 40 EGEB COc1ccc([C@@H](NC(=O)CC#N)c2ccccc2Cl)cc1OC 97097304 QPWOIAADCQUOCC-GOSISDBHSA-N 344.798 3.476 30 40 EGEB CC(C)(C)C1CCC(C(=O)OCC(=O)N[C@](C)(C#N)C2CC2)CC1 40040846 JAPOPCBXIKWOHE-SVGDTCPJSA-N 334.460 3.191 30 40 EGEB CC[C@H](C)/C(O)=N/S(=O)(=O)c1cc(Cl)c(N)c(Cl)c1 75145018 YOGYHRGPAYNZKZ-LURJTMIESA-N 325.217 3.267 30 40 EGEB CC/N=C1\S/C(=C/c2cccn2-c2ccc(O)cc2)C(=O)N1CC 6317765 WBFVBVGMRKUKIC-BOXNHUFISA-N 341.436 3.495 30 40 EGEB N#Cc1ccnc(OCC2CCN(Cc3cc(C4CC4)on3)CC2)c1 1849288046 UHSWLFNHYZQLRX-UHFFFAOYSA-N 338.411 3.110 30 40 EGEB N#Cc1nc(COc2ccccc2)oc1NCc1ccc2c(c1)OCO2 200350 FZPSDQKXGHCUBF-UHFFFAOYSA-N 349.346 3.466 30 40 EGEB COC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O 5156867 LEPMFCVSDKRFCO-JWHLFPLYSA-N 342.322 3.382 30 40 EGEB O=C(Cc1ccccc1)ON1C(=O)c2cccc3cccc(c23)C1=O 102583439 FFNHQRCVDLLNML-UHFFFAOYSA-N 331.327 3.137 30 40 EGEB CCC[C@@H]1C(C#N)(C#N)[C@@]2(C#N)C(=N)O[C@@]1(C)O[C@@H]2c1ccccc1 100724424 SBKVXNYVGBVMGA-BUIAKZPTSA-N 334.379 3.441 30 40 EGEB CCc1ccc(CN(CC(=O)N[C@@](C)(C#N)C(C)C)C2CC2)cc1 51737514 NAIGQJPTFRFFQK-FQEVSTJZSA-N 327.472 3.268 30 40 EGEB C=C(C)CSc1nc2nc3c(cc2c(=O)n1CC)COC(C)(C)C3 489499 FDCKDFDNDXVNLE-UHFFFAOYSA-N 345.468 3.331 30 40 EGEB biogenic N#C[C@H](C(=O)CCCc1c[nH]c2ccccc12)C(=O)Nc1ccccn1 104055976 DJMCXMLUAVSLSZ-MRXNPFEDSA-N 346.390 3.233 30 40 EGEB COc1ccc2nc(NN=C3C(=O)CC(C)(C)CC3=O)sc2c1 1508523 MKCYHSVKMQYFQY-UHFFFAOYSA-N 331.397 3.031 30 40 EGEB C=C(Br)CN1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 108126072 BZCLSJAYHMNEGP-ZYHUDNBSSA-N 333.270 3.130 30 40 EGEB O=S(=O)(/N=C(\NCc1ccccc1)C(F)(F)F)c1ccccc1 3265141 YJSAKONIYWMEEU-UHFFFAOYSA-N 342.342 3.126 30 40 EGEB C[C@H](C1CC1)N(CCC#N)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 69383510 IWXIWBASECFWOV-CQSZACIVSA-N 349.475 3.174 30 40 EGEB Cc1csc([C@@H]2CCCN(C(=O)c3ccc(C#N)c(C)n3)C2)n1 72298849 DMAVEVMMKIPFCM-CQSZACIVSA-N 326.425 3.046 30 40 EGEB CCOc1ccccc1[C@@H]1[C@@H](C#N)C(=O)Nc2nc3ccccc3n21 20637867 DAQGIFKBTRWXRD-CXAGYDPISA-N 332.363 3.116 30 40 EGEB Cc1cnc(COc2ccc(C#N)cc2I)o1 225572946 SDJUXSPGIGEPHA-UHFFFAOYSA-N 340.120 3.038 30 40 EGEB N#C[C@H](C(=O)/C=C/c1c(F)cccc1F)c1nnc2n1CCCCC2 54726933 YVEWBLBZXLUAOH-MMQHEFTJSA-N 342.349 3.172 30 40 EGEB CC(C)c1ccc(C(=O)OCC(=O)Nc2sccc2C#N)c(O)c1 52078495 AYKYMNXCWYPFCN-UHFFFAOYSA-N 344.392 3.244 30 40 EGEB C[C@H](O/N=C/c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1F 7263103 FKRACUQUZXRNSM-HPAYWCODSA-N 331.303 3.112 30 40 EGEB Cc1nn([C@H]2CCCCO2)c2ccc(B3OC(C)(C)C(C)(C)O3)cc12 504550464 KFVLOLQUESSGFL-QGZVFWFLSA-N 342.248 3.343 30 40 EGEB N#Cc1cccc(C(=O)NC[C@H](O)c2ccc(-c3ccco3)cc2)c1 585148162 QGRDPMVSHORGFJ-SFHVURJKSA-N 332.359 3.282 30 40 EGEB C[C@@H](OC(=O)c1csc(-c2cnccn2)n1)c1cccc(C#N)c1 77942730 VLQQKZQJKMRIFV-LLVKDONJSA-N 336.376 3.390 30 40 EGEB CCOc1ccc([C@@H]2[C@H](C#N)C(=O)Nc3nc4ccccc4n32)cc1 20637395 JBMAANWKNVCDBM-WMLDXEAASA-N 332.363 3.116 30 40 EGEB COc1ccc(/C=C(\C(=O)C(=O)O)C(=O)c2ccccc2Cl)cc1 6589979 FWZKDVXGLPNBSV-UVTDQMKNSA-N 344.750 3.269 30 40 EGEB CN(C)c1ccc(/C=C2\S/C(=N\c3cccc(O)c3)NC2=O)cc1 16904689 JMKBOWRPYICIKS-YBEGLDIGSA-N 339.420 3.350 30 40 EGEB CCc1nc(C)c([C@H](C)N(C)S(=O)(=O)c2cccc(C#N)c2)s1 76062377 AIKDRWLPGNGWLN-LBPRGKRZSA-N 349.481 3.267 30 40 EGEB CC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@@H]1c1ccc([N+](=O)[O-])o1 408731674 OSXMSJSPHMJNHF-MRXNPFEDSA-N 341.323 3.322 30 40 EGEB COc1ccc([C@H]2[C@H](C#N)[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1 218106854 OXOYUCWPLXEMDI-BZSNNMDCSA-N 327.405 3.083 30 40 EGEB Cc1cccc2c(N[C@@H]3CCC[C@@H](S(C)(=O)=O)C3)c(C#N)cnc12 78301290 PGMPLVFZWFDNBS-HUUCEWRRSA-N 343.452 3.183 30 40 EGEB CCCCCCCCNC(=O)C(=O)NCCc1ccc(Cl)cc1 98002655 JKNVLOZKSNYCKX-UHFFFAOYSA-N 338.879 3.475 30 40 EGEB biogenic Cc1cc(Cl)c2ncc(C#N)c(NC[C@H](CO)[C@@H]3CCOC3)c2c1 252489382 JPUJZGFEZUOADP-TZMCWYRMSA-N 345.830 3.125 30 40 EGEB Cn1cc(C#N)cc1C(=O)N(Cc1ccc(F)cc1)CC(F)(F)F 81548917 CKKSLHILYGKXNJ-UHFFFAOYSA-N 339.292 3.241 30 40 EGEB CN(Cc1ccccc1)c1ncc(B2OC(C)(C)C(C)(C)O2)s1 206112686 SRDGHQDGAFHGMQ-UHFFFAOYSA-N 330.262 3.079 30 40 EGEB COc1c(O)c(OC)c(C(=O)/C=C\c2ccccc2)c(O)c1OC 5412259 PPRMAMORBLMPSR-KTKRTIGZSA-N 330.336 3.020 30 40 EGEB N#Cc1cccnc1N1C[C@@H]2CN(c3nc4ccccc4s3)C[C@H]2C1 2087045478 FQSAEEHCEGNNBC-HUUCEWRRSA-N 347.447 3.136 30 40 EGEB CC(C)(C)c1ccc(S(=O)(=O)N/N=C\c2ccccc2O)cc1 17068373 LDJGTGYXLGLYDP-PDGQHHTCSA-N 332.425 3.002 30 40 EGEB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ncccc1C#N 24107080 LBQDPMRYTGDPDD-UHFFFAOYSA-N 335.194 3.335 30 40 EGEB COc1ccc([C@H](C#N)CC(=O)c2ccc3c(c2)OCO3)cc1OC 6411718 DATWEMXHHHBSKR-AWEZNQCLSA-N 339.347 3.313 30 40 EGEB C#CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 43867377 IISRBJULQYVYGV-IBGZPJMESA-N 349.386 3.392 30 40 EGEB in-vitro Cc1nn(C)c(C)c1C[C@H](C)C(=O)N[C@H](C#N)c1ccccc1Cl 95401901 VBWHWLXQXRVZEF-APPDUMDISA-N 344.846 3.250 30 40 EGEB Cn1c(SCc2cn3ccccc3c2C#N)nc2ccccc2c1=O 66776261 QUWWPDAJYRALES-UHFFFAOYSA-N 346.415 3.350 30 40 EGEB C#CCNC(=O)CSc1nnc(Nc2ccc(C(C)C)cc2)s1 7183513 IQPUAVGREWPGSG-UHFFFAOYSA-N 346.481 3.247 30 40 EGEB C#Cc1cccc(N(Cc2ccco2)C(=O)CCc2ccnn2C)c1 97097403 NPMVEBIOLWPZLI-UHFFFAOYSA-N 333.391 3.160 30 40 EGEB C=CCc1cc(CO)cc(OCC)c1OS(=O)(=O)c1ccccc1 409117853 OYYVHEYAQCHDTM-UHFFFAOYSA-N 348.420 3.074 30 40 EGEB C=CCN1C(=O)N/C(=C\c2cc(C)n(-c3ccc(C)cc3)c2C)C1=O 409145867 RDAPQQUKIRVBFV-PDGQHHTCSA-N 335.407 3.481 30 40 EGEB C=CCOc1c(C=O)cc(I)cc1OCC 225275165 MBSWNHBQWZFNGH-UHFFFAOYSA-N 332.137 3.067 30 40 EGEB N#Cc1nn(-c2ccc(F)cc2)nc1N1CC[C@H](c2ccccc2)C1 256046719 HQLQYKNFTUEFHQ-HNNXBMFYSA-N 333.370 3.272 30 40 EGEB CN(C(=O)Cc1cscc1Br)[C@H]1CCC[C@@H]1C#N 601819844 QPNXEQHOFVNGQN-SKDRFNHKSA-N 327.247 3.204 30 40 EGEB Cc1ccc([C@@H]2c3c(nn(-c4ccccc4)c3O)NC(=O)[C@H]2C#N)cc1 14163217 BOVRLWMVSYKCBX-HOTGVXAUSA-N 344.374 3.110 30 40 EGEB Cc1nc(N2CCC(NC(=O)C3CCC3)CC2)c(C#N)c(C)c1Cl 2298171487 HTBWLORWSMMIOA-UHFFFAOYSA-N 346.862 3.109 30 40 EGEB CCc1ccccc1N1C[C@H](C(=O)Nc2ccccc2C#N)CC1=O 20371819 JTTDQZDOLCAONY-MRXNPFEDSA-N 333.391 3.112 30 40 EGEB C=CCc1cc(C(=O)N[C@@H](C)c2ccncc2)cc(OC)c1OC 22622146 SYZMPZVKQSBARG-ZDUSSCGKSA-N 326.396 3.318 30 40 EGEB C[C@]1(/C(O)=N/c2nncn2Cc2ccccc2)CC1(Cl)Cl 78774168 BISUOILXSBWKGH-CYBMUJFWSA-N 325.199 3.498 30 40 EGEB Cc1ccc(C(=O)[C@H](C#N)C(=O)c2cccc([N+](=O)[O-])c2C)s1 102763760 LKZDSZBOIUIQFN-GFCCVEGCSA-N 328.349 3.479 30 40 EGEB COc1cc(/C=N/Nc2nncc3ccccc23)cc(OC)c1OC 5119682 ILDMLMZWSAVSES-VXLYETTFSA-N 338.367 3.102 30 40 EGEB N#Cc1ccc(Cl)cc1NC(=O)CN1CCc2ccccc2C1 7782758 XMQIDNHSJGJJJH-UHFFFAOYSA-N 325.799 3.208 30 40 EGEB Cc1csc([C@H](NS(=O)(=O)c2cc(C#N)ccc2C)C2CC2)n1 96428401 LMAWCOWZERFWFF-OAHLLOKOSA-N 347.465 3.061 30 40 EGEB N#Cc1ccc(CNc2cc(N3CCNC3=O)ccc2Cl)c(F)c1 71900477 UXCCZGDLZGFGMB-UHFFFAOYSA-N 344.777 3.492 30 40 EGEB CCCN(Cc1ccc(C#N)cc1)S(=O)(=O)N(C)C1CCCCC1 79269545 MSPOTFJCRJXBSX-UHFFFAOYSA-N 349.500 3.280 30 40 EGEB C#CC[C@H](NC(=O)Nc1ccc(C(=O)NCC)cc1)c1ccccc1 89977514 ZDBSMZJMIIROMK-SFHVURJKSA-N 335.407 3.322 30 40 EGEB CN(C)Cc1cc(C(=O)/C=C/c2ccccc2)cc(CN(C)C)c1O 16958803 CCNAPNBLWBUEDH-ZHACJKMWSA-N 338.451 3.412 30 40 EGEB Cc1ocnc1C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 105757938 ZPBVCIPWBXFHGE-VIFPVBQESA-N 338.150 3.251 30 40 EGEB CCN/C(S)=N/N=C/c1cc(Br)ccc1OCC 1968925 TVWDRMMRZFEIES-OVCLIPMQSA-N 330.251 3.077 30 40 EGEB CCc1nc(CN2CCN(c3cccc(F)c3C#N)CC2)cs1 29860402 DAHDVXPMEPTVNO-UHFFFAOYSA-N 330.432 3.038 30 40 EGEB N#Cc1cccc(NC(=O)N[C@H](CN2CCCC2=O)c2ccccc2)c1 46459234 WWDNFCCXLVLCCE-GOSISDBHSA-N 348.406 3.043 30 40 EGEB CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(CC#N)cc1 65585716 JWKKZIIFQKFMJP-CQSZACIVSA-N 347.440 3.001 30 40 EGEB N#Cc1cc(F)ccc1NC(=O)N(C[C@H](O)c1ccccc1)C1CC1 83577109 MWUGONOKMFZACW-SFHVURJKSA-N 339.370 3.427 30 40 EGEB Cc1cccc(NC(=O)CN(C)Cc2cn3ccccc3c2C#N)c1C 8994013 OBYBOAXFOPFOBH-UHFFFAOYSA-N 346.434 3.498 30 40 EGEB COc1ccccc1[C@H](C#N)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] 97032542 OPIWJBXGSCBTEL-ZDUSSCGKSA-N 345.742 3.251 30 40 EGEB N#C[C@@H](C(=O)Cn1ncc2ccccc21)c1ccc2ccccc2n1 89873130 FSKDCPRNSYXHNB-MRXNPFEDSA-N 326.359 3.461 30 40 EGEB N#Cc1cc(NC(=O)N2CC[C@@H](CO)C2)ccc1Oc1ccccc1 189477946 GZAPJBXEMGRBDI-CQSZACIVSA-N 337.379 3.197 30 40 EGEB OCCn1c(N/N=C\c2ccccc2O)nc2c3ccccc3ccc21 85905509 MRWXHKXZVWTVAC-BKUYFWCQSA-N 346.390 3.333 30 40 EGEB COC(=O)[C@@H](Nc1cccc(Cn2cccn2)c1)c1cccc(C#N)c1 83030107 BNNINZZRVHMMQR-IBGZPJMESA-N 346.390 3.129 30 40 EGEB COc1cc2c(cc1OC)/C(=N/Nc1ccc(Cl)cc1)C(=O)N2 43905050 MBADTMYSKASCMG-UHFFFAOYSA-N 331.759 3.126 30 40 EGEB C=CCN(c1cccc(F)c1)S(=O)(=O)c1ccc(NC(C)=O)cc1 224897562 UXDGVURIMKFGDD-UHFFFAOYSA-N 348.399 3.165 30 40 EGEB C=CCNC(=S)Nc1nc(Cl)cc(N2Cc3ccccc3C2)n1 225926501 OIROMYGREUUHPK-UHFFFAOYSA-N 345.859 3.123 30 40 EGEB CCCn1cc(NC(=O)CSCc2ccc(C#N)cc2)ccc1=O 57144558 OAEJCSKRJLBCRU-UHFFFAOYSA-N 341.436 3.002 30 40 EGEB N#Cc1ccccc1OCC(=O)Nc1sc2c(c1C#N)CCCC2 3618307 NBNYNLBQYBQJPG-UHFFFAOYSA-N 337.404 3.388 30 40 EGEB Cc1nc(COC(=O)[C@H](C)Oc2ccc(C#N)cc2)nc2ccccc12 25259331 YFMHTHOZGKGMDX-AWEZNQCLSA-N 347.374 3.321 30 40 EGEB CC1(C)CC(=O)C2=C(C1)Nc1c(C#N)cnn1[C@H]2c1cccc(O)c1 44918126 LTALOQMADSRXTF-KRWDZBQOSA-N 334.379 3.118 30 40 EGEB C=C(Cl)COc1ccc2c(C)c(CC(=O)OC)c(=O)oc2c1C 489443 NLKDMNFBZMQLQB-UHFFFAOYSA-N 336.771 3.257 30 40 EGEB biogenic O=[N+]([O-])[C@@H]1C=CC(O)=C(/C=N/N=C2\C[C@@H](c3ccccc3)N=N2)C1 102980011 PEDGQLJLISSTJL-NTWVFWCHSA-N 325.328 3.385 30 40 EGEB O=C1C2=C(c3ccccc31)[C@H](c1ccccc1Cl)NC(=S)N2 8653510 KPERLSFMBAVGPA-AWEZNQCLSA-N 326.808 3.466 30 40 EGEB C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@@H](C)OC[C@@H]1C 108348640 JQCNPJBXLSNPAA-ZNMIVQPWSA-N 347.484 3.129 30 40 EGEB CCCCCCCCCCCCC1(CCO)C(=O)NC(=O)NC1=O 104055196 IQTNBYHDAQIYEE-UHFFFAOYSA-N 340.464 3.032 30 40 EGEB CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1O 408931425 LJZFMZKDLRJPSK-XSFVSMFZSA-N 326.396 3.378 30 40 EGEB C=CCN(C(=O)c1cnc(C)s1)[C@H]1CCN(Cc2ccccc2)C1 69740753 SDHVLCIIPLPANW-KRWDZBQOSA-N 341.480 3.354 30 40 EGEB C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCOCC1(C)C 69809313 DJYHSOOZIFXUGP-CQSZACIVSA-N 347.484 3.130 30 40 EGEB CCOc1ccc(/C=N\OCC(=O)Nc2ccccc2C)cc1OC 33546527 NKCYYWQXFHOGOV-NDENLUEZSA-N 342.395 3.392 30 40 EGEB C[C@H]1C[C@H](C)CN(C(=O)CSc2nc3c(cc2C#N)CCC3)C1 215682548 VINHSZBNEYTQEN-STQMWFEESA-N 329.469 3.039 30 40 EGEB N#CCc1ccc(NC(=S)NCc2nc(-c3ccccc3)no2)cc1 225813249 DVASZYLVWLJALM-UHFFFAOYSA-N 349.419 3.289 30 40 EGEB CSc1ccc(S(=O)(=O)N(C)c2ccc(CC#N)cc2)cc1 224984841 GNOAZKHNNSXHCH-UHFFFAOYSA-N 332.450 3.300 30 40 EGEB COc1ccc(/C=C/C(=O)c2csc(C(=O)O)c2)c(OC)c1OC 96404604 MINGFCZPYNAHSX-GQCTYLIASA-N 348.376 3.368 30 40 EGEB C[C@@]12CC[C@@H]3C[C@]1(C(N)=O)N(/N=C/c1ccc(Cl)cc1)C[C@]32C 245242027 WYNOWNMBEJHPPD-ZIENPYJASA-N 331.847 3.040 30 40 EGEB C#CCCN/C=C1\C(=O)N(c2ccc(C)cc2)C(=O)c2ccccc21 584906882 PNZOCIXCBYCKAW-RGEXLXHISA-N 330.387 3.136 30 40 EGEB CCCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cccc(C#N)c1 56067679 WBCFPYATRYGDEU-UHFFFAOYSA-N 339.420 3.031 30 40 EGEB C=CCNC(=S)N/N=C/c1ccc(-c2ccc(C)cc2[N+](=O)[O-])o1 8371247 FLSARCIEBAPLDX-VCHYOVAHSA-N 344.396 3.147 30 40 EGEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccn1 100096771 AHCKWRHUVFWRDM-SFHVURJKSA-N 340.423 3.249 30 40 EGEB CN(Cc1cnn(-c2ccccc2)c1)C(=O)NCC#Cc1ccccc1 32802867 QWWSSPGARCPDAO-UHFFFAOYSA-N 344.418 3.065 30 40 EGEB C=CCn1nnc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)n1 10148861 JLSDKTRZIGURGO-UHFFFAOYSA-N 329.747 3.025 30 40 EGEB N#Cc1c(N)n(-c2ccc3nsnc3c2)c2nc3ccccc3nc12 20841998 OUJIDFKRPYRSBP-UHFFFAOYSA-N 343.375 3.032 30 40 EGEB COC(=O)c1ccc(/N=C/c2ccc(OCC(=O)O)c(Cl)c2)cc1 59249921 NYQOFYKVFVJYBS-DJKKODMXSA-N 347.754 3.341 30 40 EGEB COc1ccccc1NC(=O)/C=C/c1ccc(OCC#N)c(OC)c1 3481739 GMAVRKOORGYOEE-CSKARUKUSA-N 338.363 3.258 30 40 EGEB CC(C)c1ccccc1/N=C1\SCCN1[C@H]1CCS(=O)(=O)C1 13152635 PEBCCOUHSYFYRR-WPCFGXOUSA-N 338.498 3.033 30 40 EGEB COC[C@@H](C)n1c(C)cc(C(=O)COc2ccc(C#N)cc2)c1C 5108556 XYCVCGKJBARHPX-CQSZACIVSA-N 326.396 3.446 30 40 EGEB CCOc1cc(/C=N\N2C(=O)CSC2=S)ccc1OC(C)C 409332168 QFZKYKGTTHLSTG-PXNMLYILSA-N 338.454 3.067 30 40 EGEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C1CC1)[C@H](C)c1cccnc1 69432710 DARFAQMQMIPZKI-HUUCEWRRSA-N 335.407 3.473 30 40 EGEB NC(=S)N/N=C/c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O 409080952 OLYQTOAJEDBOOW-KEBDBYFISA-N 329.469 3.027 30 40 EGEB CCCCCCCCNC(=O)C(=O)NCc1ccc(OCC)cc1 408707140 KLFUGSIKJGVGLF-UHFFFAOYSA-N 334.460 3.178 30 40 EGEB C=CCN(CC=C)C(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccc(C)cc1 72238274 JANLWFQDFHRCTP-PKOBYXMFSA-N 326.440 3.105 30 40 EGEB COc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)ccc1OCC#N 96838612 REJBIWHHEDFUDP-ZROIWOOFSA-N 332.381 3.042 30 40 EGEB CN(c1ccccc1)[C@H]1CCN(C(=O)CCc2ccc(C#N)cc2)C1 598378553 KEXDDQDWXBCZER-FQEVSTJZSA-N 333.435 3.228 30 40 EGEB N#Cc1ccccc1COc1cccc(C(=O)NCc2ccno2)c1 390833053 BFIGLODERDFAON-UHFFFAOYSA-N 333.347 3.055 30 40 EGEB COc1ccc(/N=C2\SC(=S)N2c2ccc(OC)nc2)cn1 4235225 KSRODQWVBDUFBR-LGMDPLHJSA-N 332.410 3.020 30 40 EGEB Cc1ccc(C)c(S(=O)(=O)N/N=C2\CCCc3ccccc32)c1 13140158 GDUJROCFFIBJAY-HTXNQAPBSA-N 328.437 3.322 30 40 EGEB CNc1nc2c(C)cccn2c(=O)c1/C=N/c1ccc(Cl)cc1 100816377 ZIPPFLDNILMOTF-KEBDBYFISA-N 326.787 3.449 30 40 EGEB O=C(C[n+]1cnn(Cc2ccccc2)c1)c1ccc(Cl)cc1Cl 1796891 NDQHYPZCTBFERE-UHFFFAOYSA-N 347.225 3.409 30 40 EGEB C[C@@H](OC(=O)c1cc2ccccc2[nH]1)C(=O)NC1(C#N)CCCCC1 11227814 FJDYSVFTWZJZIP-CYBMUJFWSA-N 339.395 3.056 30 40 EGEB Cc1ccc(C(=O)Nc2cc(C#N)c3[nH]c4ccccc4n3c2=O)cc1 2879762 GRXPBVNEONFRGI-UHFFFAOYSA-N 342.358 3.213 30 40 EGEB Cc1nc(SCN2C(=O)c3ccccc3C2=O)c(C#N)c(C)c1C 5225569 XVZDJUOHOQRKEC-UHFFFAOYSA-N 337.404 3.224 30 40 EGEB COc1ccc(/N=C2\SCCN2C(=O)COc2ccccc2)cc1 14502985 YQGVNTRZKUFLRN-HNENSFHCSA-N 342.420 3.337 30 40 EGEB C=CCn1c(C)cc(C(=O)Cn2nnc(-c3ccccc3C)n2)c1C 4956810 CQMSWSCJPCQTRB-UHFFFAOYSA-N 335.411 3.136 30 40 EGEB N#Cc1ccc(N2CC[C@H](SC[C@@H](O)c3ccccc3)C2=O)cc1 69308253 OBKVDALEOMNNSU-MSOLQXFVSA-N 338.432 3.130 30 40 EGEB CN(C)S(=O)(=O)c1ccc(CSCCC(C)(C)C#N)cc1 195579761 GXKZVVANYWGTKP-UHFFFAOYSA-N 326.487 3.110 30 40 EGEB CCOc1cc(/C=C2/C(=O)ON=C2C)cc(Br)c1OC 208814213 VZHKAIQUEAMDJC-BJMVGYQFSA-N 340.173 3.173 30 40 EGEB CC(=O)N[C@H]1CC=C(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1 1848351076 RLNIZBNPTWJEEO-SFHVURJKSA-N 341.260 3.058 30 40 EGEB Cc1cccc([C@H](CNCc2cccc(C#N)c2)N2CCOCC2)c1 30915609 FGIOYTKADGINMG-NRFANRHFSA-N 335.451 3.030 30 40 EGEB C=CCN(C(=O)COC(=O)c1cccc(OC)c1)c1ccccc1 51356680 YXIXEIGPAOTKEN-UHFFFAOYSA-N 325.364 3.071 30 40 EGEB CCC(=O)NC1=C(N[C@@H](C)c2ccccc2)C(=O)c2ccccc2C1=O 101874575 YMRBKGLLUXSTNH-ZDUSSCGKSA-N 348.402 3.154 30 40 EGEB Cc1cc2c(cc1C)C(=O)C(c1ccccc1)=C(NCCCN)C2=O 102914584 DBMBLGFZWAUELI-UHFFFAOYSA-N 334.419 3.032 30 40 EGEB CSc1nc2n(n1)[C@H](c1cccnc1)C1=C(CC(C)(C)CC1=O)N2 9015928 HMXCOESTUYXCFL-CQSZACIVSA-N 341.440 3.053 30 40 EGEB CC/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(O)c(O)c1 104094647 ATGVLEMUUMRBSY-LFIBNONCSA-N 346.299 3.140 30 40 EGEB N#Cc1ccccc1NC(=O)CCN1CCC[C@@H](C(F)(F)F)C1 28852715 ZLHPBLFAXPJSHM-CYBMUJFWSA-N 325.334 3.161 30 40 EGEB N#Cc1ncn(CC(=O)c2c(-c3ccc(F)cc3)[nH]c3ccccc23)n1 14144060 YFXVWGRMZWJPDU-UHFFFAOYSA-N 345.337 3.320 30 40 EGEB CCC[C@@H](C#N)NC(=O)c1cnn(-c2cccc(Br)c2)c1 71883295 BDDZSIFEJZSRAG-ZDUSSCGKSA-N 347.216 3.057 30 40 EGEB O=[N+]([O-])c1ccc(N/N=C\c2ccc(O)c(Cl)c2)c([N+](=O)[O-])c1 408942950 RFZDFVBYVBCAHU-CHHVJCJISA-N 336.691 3.308 30 40 EGEB CC(C)(C)c1ccc([C@@H](C#N)NC(=O)[C@@H]2CC23CCOCC3)cc1 98018634 YVTZZHUHDNNJAU-DLBZAZTESA-N 326.440 3.482 30 40 EGEB N#Cc1ccc(N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c(F)c1 60345766 ZQZWIYOHBRXCLJ-UHFFFAOYSA-N 348.381 3.141 30 40 EGEB COc1ccc(CN/N=C(\C)c2cccc([N+](=O)[O-])c2)cc1OC 216055419 IXTKNFFXUSEDHZ-XDHOZWIPSA-N 329.356 3.126 30 40 EGEB CCOc1cc(/C=N\OCC(=O)Nc2ccc(C)cc2)ccc1OC 33705926 NJOGMBQRVNFIAB-NDENLUEZSA-N 342.395 3.392 30 40 EGEB C=CCN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1cccs1 225137205 YEDHFBPICQDLAU-UHFFFAOYSA-N 338.410 3.346 30 40 EGEB C=C(C)CN1CCC(NC(=O)N[C@H](C)c2c(F)cccc2OC)CC1 96439933 XBZMBUBNFVFHCT-CQSZACIVSA-N 349.450 3.235 30 40 EGEB Cc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@H]2C=O)cc1 252516165 QKGKLUQMQDJVJF-GVDBMIGSSA-N 334.824 3.403 30 40 EGEB N#Cc1cccnc1N1CCC(COc2cc(C3CCC3)ncn2)CC1 1776000610 ATKJICSYBZSKQW-UHFFFAOYSA-N 349.438 3.306 30 40 EGEB Cc1cc(/C=N/c2ccc(NC(N)=S)cc2)c(O)c([N+](=O)[O-])c1 16267619 OBAGIYRKCNATFP-CAOOACKPSA-N 330.369 3.015 30 40 EGEB COc1ccccc1/C=C1\Oc2cc(O[C@@H](C)C(=O)O)ccc2C1=O 11866285 KNLZUVBTFYOPLK-PKSBALPTSA-N 340.331 3.163 30 40 EGEB biogenic COc1ccc([C@H]2[C@H](C(C)C)C(=O)CC(C#N)(C#N)C2(C#N)C#N)cc1 506980 ROFNYPZDFRHARM-MSOLQXFVSA-N 346.390 3.091 30 40 EGEB Cc1nc(C/C(N)=N/OCc2coc(-c3cccc(F)c3)n2)cs1 54390992 UCDYCGLAQJOBOS-UHFFFAOYSA-N 346.387 3.277 30 40 EGEB Cc1ccc(-c2c[n+](CC(=O)NC3CCCCC3)c3n2CCC3)cc1 6923697 KERARBYLRYGOTK-UHFFFAOYSA-O 338.475 3.146 30 40 EGEB C[C@@]12[C@H]3O[C@@H]4CC[C@@H]5[C@H]4[C@@H]1[C@@H]1[C@H]4[C@@H]2[C@@H]2CC[C@@H](O3)[C@@H]2[C@@H]4[C@@](C)(C=O)[C@@H]51 104294680 GLLJQNVYACDGFA-DPZXWJPHSA-N 340.463 3.126 30 40 EGEB N#Cc1ccc(NC(=O)c2ccc(Cn3cncn3)cc2)cc1Cl 11197685 NJUXAUFDCLEHAH-UHFFFAOYSA-N 337.770 3.104 30 40 EGEB C=CCOc1ccc(/C=C2/SC(=O)N(CCCC(=O)O)C2=O)cc1 2441778 BAGQLRPRENDMRY-SDNWHVSQSA-N 347.392 3.153 30 40 EGEB CSc1ccc([C@H]2C3=C(CCCC3=O)Nc3[nH]nc(O)c32)cc1 12347195 PTJSGRZVMCHBPK-ZDUSSCGKSA-N 327.409 3.402 30 40 EGEB COc1ccc(-c2nc(C)c(C#N)c(SCCCN(C)C)n2)cc1 9134944 KBZWVNHCKFGPSN-UHFFFAOYSA-N 342.468 3.376 30 40 EGEB Cc1c(C#N)c(SCC(=O)N2CCCC[C@@H]2C)nc2c1CCC2 9154632 FVJDXTXEPYIBBN-LBPRGKRZSA-N 329.469 3.244 30 40 EGEB C=CCn1nnnc1NCc1cccc(OCc2ccc(F)cc2)c1 6856460 JLDIVDFIHXZRQU-UHFFFAOYSA-N 339.374 3.189 30 40 EGEB Cc1ccncc1NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 96461120 GLGZIFUGIFDDRO-UHFFFAOYSA-N 341.314 3.081 30 40 EGEB Cc1nc(C)c(S(=O)(=O)/N=C(\O)Cn2ccc3ccccc32)s1 75092092 NGYOLXBXHVNUMD-UHFFFAOYSA-N 349.437 3.060 30 40 EGEB Cc1ccc(-n2cccc2C=Nn2c(O)nc3ccccc3c2=O)cc1 409346250 LTIAUEYOGOCSMD-UHFFFAOYSA-N 344.374 3.083 30 40 EGEB COc1cccc(OCc2nc(SCC(C)C)nc(N)c2C#N)c1 223692521 OQMMYHJSEOAIBE-UHFFFAOYSA-N 344.440 3.266 30 40 EGEB Cc1nnc(-c2cccc(C#N)c2)n1Cc1nc(-c2ccsc2)no1 96416366 COAJHYAAAPQETJ-UHFFFAOYSA-N 348.391 3.285 30 40 EGEB CC(=O)Nc1ccc2c(Cl)c3c(C)nn(CCC#N)c3nc2c1 255187217 BZINWXBMWQEJIN-UHFFFAOYSA-N 327.775 3.418 30 40 EGEB N#Cc1cccc(C(=O)N2CC(OCc3cccc4ccccc34)C2)n1 589438101 XZOJRSNTQDXZSA-UHFFFAOYSA-N 343.386 3.148 30 40 EGEB C[C@@H]1CN(c2nc3ccccc3nc2NCC(C)(C)C#N)C[C@@H](C)O1 611617911 PQJAJWFKLPKRDM-ZIAGYGMSSA-N 339.443 3.205 30 40 EGEB CN(C)C(=O)c1cc(NC(=O)c2cccc(C#N)c2)ccc1Cl 40090735 VXVVHSYVXIBWIL-UHFFFAOYSA-N 327.771 3.166 30 40 EGEB CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Nc1ccc(Br)cc1 32512489 GUWPGMPPPYJKKL-IAQYHMDHSA-N 338.249 3.304 30 40 EGEB N#C[C@]1(Nc2ccc(Br)cc2)C(=O)Nc2ccccc21 548932 MCKQWTDZROCLAD-OAHLLOKOSA-N 328.169 3.232 30 40 EGEB CC(=O)c1ccc(N2CCN(c3snc(Cl)c3C#N)CC2)cc1 44944564 GOXOCPVGBVFFTG-UHFFFAOYSA-N 346.843 3.197 30 40 EGEB Cc1c(Cl)cccc1/N=N/c1c(C)c(C#N)c(O)n(CCO)c1=O 108423557 ZVDYGDCVXCGTHH-FMQUCBEESA-N 346.774 3.104 30 40 EGEB C[C@H]1CC(=O)c2c(OCC(=O)NC3(C#N)CCCCC3)ccc(F)c21 48236742 ACCQDNRTERJJAY-LBPRGKRZSA-N 344.386 3.237 30 40 EGEB N#Cc1cccnc1N[C@@H](CCO)c1ccccc1Br 96005737 QULQXNRAAXWJCY-AWEZNQCLSA-N 332.201 3.251 30 40 EGEB CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1cc2ccccc2o1 9534974 YESLDYJUECJRDW-KZULUSFZSA-N 328.368 3.033 30 40 EGEB CC(C)Oc1ccc(C#N)cc1NC(=O)Nc1cnn(CC(F)F)c1 72939938 WWBFHDMKOZKRKF-UHFFFAOYSA-N 349.341 3.451 30 40 EGEB C=CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1C1CC1 8727974 LVSXHJVITHAIRL-UHFFFAOYSA-N 328.441 3.381 30 40 EGEB COc1ccc(Nc2ccc([N+](=O)[O-])cc2C#N)cc1NC(C)=O 24213942 JQIUNLJOKOMRLQ-UHFFFAOYSA-N 326.312 3.177 30 40 EGEB Cc1ccc(S(=O)(=O)OC[C@]23CC[C@](C)([C@H](O)C2)C3(C)C)cc1 72207261 ZFXRPTRISLWUBJ-NXHRZFHOSA-N 338.469 3.278 30 40 EGEB COc1cc2c(cc1OC)/C(=N/Nc1cc(C)ccc1C)C(=O)N2 43933807 OMGBRLKEFZSLHF-UHFFFAOYSA-N 325.368 3.089 30 40 EGEB CCO[C@]1(C(=O)Nc2ccc(OC(C)=O)c(C#N)c2)CCC[C@H](C)C1 225833518 PXAWPTMDGQGUAO-ORAYPTAESA-N 344.411 3.407 30 40 EGEB Cc1noc(C)c1CO/N=C/c1ccc(N2CCCC2)c([N+](=O)[O-])c1 21041086 VJBPGMRRUDTSTL-VCHYOVAHSA-N 344.371 3.351 30 40 EGEB Oc1cccc(/C=N/Nc2ncnc3c2ncn3Cc2ccccc2)c1 5389545 KEXHVQNXNONDBJ-AUEPDCJTSA-N 344.378 3.026 30 40 EGEB COc1cccc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2)c1OC 79352358 LZXUPFXYBWDDEH-AWEZNQCLSA-N 330.771 3.352 30 40 EGEB C=CCn1c(S[C@@H](C)C(C)=O)nnc1-c1ccc([N+](=O)[O-])cc1 32945157 LZEVQBOJCPUZMD-NSHDSACASA-N 332.385 3.109 30 40 EGEB Cc1ccc(/C(N)=N\O[C@@H](C)C(=O)Nc2c(C)cccc2C)cc1 52796021 QADZIBDNKKYYKD-HNNXBMFYSA-N 325.412 3.276 30 40 EGEB COc1n[nH]c(/N=C(\O)COc2ccccc2Cc2ccccc2)n1 95457352 HBGVQXGTHOGRIA-UHFFFAOYSA-N 338.367 3.071 30 40 EGEB CCCCn1nnnc1CON=C1c2ccccc2-c2ccccc21 65494283 BEXGDZCXYHPFOY-UHFFFAOYSA-N 333.395 3.423 30 40 EGEB C[C@H](OC[C@@H]1CCCO1)C(=O)Nc1cc(C(C)(C)C)sc1C#N 91208755 LOTYZYZYANVTOS-RYUDHWBXSA-N 336.457 3.440 30 40 EGEB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)NC3(C#N)CCCC3)c12 89567362 AKTZBEFIFHAEIE-UHFFFAOYSA-N 349.394 3.103 30 40 EGEB CCC(CC)[C@H]1C[C@@H](NC(=O)NCc2ccc(C#N)cc2F)CCO1 181908128 FSMITZSYFPQUNS-FUHWJXTLSA-N 347.434 3.480 30 40 EGEB N#CC1(C#N)[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccccc1 218338931 ODLSSQLBJPWCRF-JKSUJKDBSA-N 342.807 3.313 30 40 EGEB CCOc1ccc(NC(=O)[C@H](C)Sc2cc(C#N)ccn2)cc1 71918475 XHQIRFSUUMAIKS-LBPRGKRZSA-N 327.409 3.471 30 40 EGEB C=C(Cl)CN(Cc1ncnn1CCF)[C@H]1CCc2ccccc21 390835562 QUZLEELVPWHVEB-INIZCTEOSA-N 334.826 3.490 30 40 EGEB C/C(=N\NS(=O)(=O)c1ccc(C)cc1)[C@@H]1C[C@@H]1c1ccccc1 34380546 CYTXZSSGRJWZNE-LRSOOSPMSA-N 328.437 3.453 30 40 EGEB Cc1nn(-c2ccccc2)c2c1N/C(=C/C(=O)c1ccccc1)C(=O)N2 13207740 MYCJUUCKZLSIFR-FOWTUZBSSA-N 344.374 3.312 30 40 EGEB O=C1Nc2c(cc(Cl)cc2[N+](=O)[O-])N/C1=C/C(=O)c1ccccc1 13212135 SCXHYMIVFCTSFV-XYOKQWHBSA-N 343.726 3.379 30 40 EGEB COc1ccc(OC)c(/C=N\N=C\c2cc(OC)ccc2OC)c1 16980972 GPEYOIVCDYPQHX-UHWBUFEVSA-N 328.368 3.174 30 40 EGEB COc1ccc2c(c1)O[C@H](C)C/C2=N/OC(=O)c1ccccc1OC 8240565 DHERVFYJSUDILZ-XSBGSACPSA-N 341.363 3.436 30 40 EGEB C[C@@](C#N)(NC(=O)CSc1ccc(Br)cc1)C1CC1 5738350 YEEAUZMVHRNKFU-AWEZNQCLSA-N 339.258 3.350 30 40 EGEB C=CCNC(=O)[C@@H](C)Sc1nnc(Cc2cccs2)n1C1CC1 21622816 VZQGISQISNLOJO-LLVKDONJSA-N 348.497 3.048 30 40 EGEB C=CCN1C(=O)[C@](O)(CC(=O)c2cc(C)ccc2C)c2ccccc21 565155 LHAUVSPUCMLWAJ-NRFANRHFSA-N 335.403 3.297 30 40 EGEB C=CCn1c(N)nnc1SCc1cccc(OCC(F)(F)F)c1 57503455 FQQPCANLPYMTRY-UHFFFAOYSA-N 344.362 3.280 30 40 EGEB COc1ccc(C(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1CC(=O)O 13066824 FNTMMSQFRLRIPT-SOFGYWHQSA-N 341.319 3.127 30 40 EGEB Cc1ccc(C(=O)/C=C/c2cc(C(=O)O)cc3c2OCOC3)c(O)c1 4026739 OZOKEJHZINVWBM-HWKANZROSA-N 340.331 3.161 30 40 EGEB biogenic CC(=O)N1CCc2c(sc(NC(=O)c3cccc(C)c3)c2C#N)C1 4275172 JEILIZVYZFPPBM-UHFFFAOYSA-N 339.420 3.085 30 40 EGEB CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2=O 4652712 MUGWRNJDZWKRAM-MJZYIULXSA-N 346.343 3.296 30 40 EGEB C=C(C)CN(C)C(=O)N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 97049209 QIKZAMYHUBSAPF-ZDUSSCGKSA-N 330.432 3.249 30 40 EGEB C=C(Br)CN(Cc1nc(C)cs1)C[C@@H]1CCCO1 76006674 KTHJTDKRARUFEJ-LBPRGKRZSA-N 331.279 3.341 30 40 EGEB CC(C)CCc1c(N)cc(C#N)n1CC(=O)Nc1ccc(F)cc1 225860301 QAPPWHQEMBAGOD-UHFFFAOYSA-N 328.391 3.308 30 40 EGEB C#CCOc1ccc(CN[C@@H](C)c2ccc(N3CCNC3=O)cc2)cc1 585086976 PDZYIUYAEIUURE-INIZCTEOSA-N 349.434 3.079 30 40 EGEB C/N=C(\NCc1ccco1)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 253370374 QAWYGQLLILAITG-WMLDXEAASA-N 346.500 3.089 30 40 EGEB COc1ccc(/C=C2\Oc3cc(C)cc(O)c3C2=O)c(OC)c1OC 11865206 DQIDXNMZTNSJTF-DHDCSXOGSA-N 342.347 3.343 30 40 EGEB biogenic CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@H]1c1ccc(O)cc1 19315209 BQDWJUIBZHJYRR-QGZVFWFLSA-N 341.407 3.313 30 40 EGEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1-n1ccnc1 45860159 DHXRMFUILHXFIL-CQSZACIVSA-N 332.363 3.150 30 40 EGEB Cc1sc2ncnc(OCC(=O)Nc3ccc(C#N)cc3)c2c1C 2619872 UCTFMLWWUGLKJS-UHFFFAOYSA-N 338.392 3.197 30 40 EGEB N#Cc1ccc(OC2CCN([C@@H]3Cc4ccccc4[C@@H]3O)CC2)cc1 95987241 RMHZTXMOSAFKLB-RTWAWAEBSA-N 334.419 3.060 30 40 EGEB Cc1cc(C)c(C(=O)/C=C/c2cnc(N3CCOCC3)nc2)cc1C 65606658 GXGDHEBTJODARP-SNAWJCMRSA-N 337.423 3.135 30 40 EGEB C=CCc1cc(C(=O)Nc2ccc(Cl)nn2)cc(OC)c1OC 68295872 NCCZPDBNVZNJSW-UHFFFAOYSA-N 333.775 3.128 30 40 EGEB Cc1cc(=O)oc2cc(OCC(=O)Nc3sccc3C#N)ccc12 7796940 AXKXUPLIKZBQAQ-UHFFFAOYSA-N 340.360 3.052 30 40 EGEB N#Cc1ccc(CN2CCCN(c3ncnc4sccc34)CC2)cc1 9721565 VXFJDQBOMXEZCG-UHFFFAOYSA-N 349.463 3.275 30 40 EGEB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/n2c(C)nnc2S)o1 408845568 HSANKBBXJLKFPK-LZYBPNLTSA-N 343.368 3.234 30 40 EGEB CCC(CC)CN(CCC#N)C(=O)c1ccc2c(c1)CCC(=O)N2 75583918 AMYDTWYGPSZNTI-UHFFFAOYSA-N 327.428 3.363 30 40 EGEB CCc1cccc(CC)c1NC(=O)CO/N=C(/N)Cc1ccccc1 47255284 DYBCCDAYZKUDCZ-UHFFFAOYSA-N 339.439 3.281 30 40 EGEB C[C@@H]1[C@@H](NC(=O)[C@@H](C)N(C)Cc2ccc(C#N)cc2)CCC[C@H]1C 330788832 YYBWXPFQASMJBD-OLMMMNRUSA-N 327.472 3.319 30 40 EGEB CCn1nccc1[C@@H]1OCCC[C@H]1CNC1CCC(C)(C#N)CC1 594968618 KQFMVAWFMLCFFW-MEWCUZTCSA-N 330.476 3.433 30 40 EGEB C#CCSc1nnc(NC(=O)c2nc3ccccc3s2)s1 42379298 FSUOUNIRVYRBCW-UHFFFAOYSA-N 332.435 3.125 30 40 EGEB C=CCn1c(C)nc2c(sc3nc4c(cc32)COC(C)(C)C4)c1=O 205450 UJMWRSJYYDFUTN-UHFFFAOYSA-N 341.436 3.352 30 40 EGEB CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(COC)c2)cc1 103504571 RVCWVGOQCHABRJ-SFHVURJKSA-N 336.391 3.357 30 40 EGEB C=CCOc1ccccc1CNc1ccc(-c2nc(C)cc(=O)[nH]2)cn1 77966232 KMHHBWABVYPQJO-UHFFFAOYSA-N 348.406 3.317 30 40 EGEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc(C(C)C)cs1 10638891 MODKZDKTOHYJPR-UHFFFAOYSA-N 344.440 3.015 30 40 EGEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCc4ccncc4)[C@H]3C[C@@H]12 12664260 WOKZYNDYKZBGGS-WVXKDWSHSA-N 340.467 3.485 30 40 EGEB biogenic Cc1cccc(NC(=O)COC(=O)c2ccc(C#N)cc2F)c1C 5246646 ZOKXUQQSLPZAMW-UHFFFAOYSA-N 326.327 3.110 30 40 EGEB C=CCN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccs1 14352793 JRNAMBGJSMAQSJ-UHFFFAOYSA-N 338.410 3.033 30 40 EGEB N#Cc1c(COC(=O)c2cnn(-c3ccccc3)c2)cn2ccccc12 14854332 HOCRXDYQGIRACT-UHFFFAOYSA-N 342.358 3.354 30 40 EGEB C=CCn1c(S)nnc1-c1sc(NC(=O)C(C)(C)C)nc1C 66621220 AALVLBUSEDIVLZ-UHFFFAOYSA-N 337.474 3.169 30 40 EGEB C#CCOc1ccc(NC(=O)NCc2ncc(C(C)(C)C)o2)cc1 96445973 JPTNLVMKWRDSCY-UHFFFAOYSA-N 327.384 3.306 30 40 EGEB CC1=NOC(=O)/C1=C\c1ccccc1OCc1ccc(C(=O)O)cc1 409081917 QWTDVXHIEAMOIO-YBEGLDIGSA-N 337.331 3.280 30 40 EGEB N#Cc1ccsc1NC(=O)CCn1c(=O)oc2cc(Cl)ccc21 19202272 XWNBTEBPALNMHA-UHFFFAOYSA-N 347.783 3.210 30 40 EGEB COC(=O)c1ccc(Cl)c(/N=C/c2ccc(N3CCOCC3)o2)c1 409012942 LRCYWZVRKSREQR-YBFXNURJSA-N 348.786 3.307 30 40 EGEB Oc1nncc(N/N=C\c2ccc(Br)cc2)c1Cl 31854577 UOULADUXAZEICM-RZNTYIFUSA-N 327.569 3.044 30 40 EGEB COc1cc(/C=C2\Oc3cc(O)ccc3C2=O)cc(OC)c1OC 12418462 BJFMTVYSEMXVAK-NSIKDUERSA-N 328.320 3.034 30 40 EGEB biogenic N#Cc1ccc(C(=O)NCCN2CCC(c3cccs3)CC2)cc1 77103926 NRHHGMUQSFJTGK-UHFFFAOYSA-N 339.464 3.229 30 40 EGEB O=C(/C=C/c1cccc2c1OCO2)c1ccc(N2CCCC2=O)cc1 40139808 XHMCDQMSYKUYPW-DHZHZOJOSA-N 335.359 3.438 30 40 EGEB N#C[C@H](NC(=O)c1cccc2c1OCCO2)c1ccc(Cl)cc1 79352470 UQLVCONOVZGAGA-AWEZNQCLSA-N 328.755 3.106 30 40 EGEB C=CCNCc1cc(Br)cc(Br)c1OC 8469478 VPIINIXTRVAUHC-UHFFFAOYSA-N 335.039 3.496 30 40 EGEB N#Cc1cccc(C(=O)NC[C@H](O)c2ccccc2C(F)(F)F)c1 58293251 BCLAEBKZLCHJJJ-HNNXBMFYSA-N 334.297 3.040 30 40 EGEB Cc1ccccc1CN1CCN(Cc2cn3ccccc3c2C#N)CC1 58368846 WMRNOCJGDCAUPR-UHFFFAOYSA-N 344.462 3.437 30 40 EGEB CCc1nn(-c2cc(Oc3cc(C)cc(C)c3)ncn2)c(N)c1C#N 36470947 YCETVBGVEUTEQS-UHFFFAOYSA-N 334.383 3.088 30 40 EGEB C[C@H]1C(C#N)(C#N)[C@@]2(C#N)C(=N)O[C@@]1(C)O[C@@H]2c1ccccc1Cl 100791085 KSIJAWXPQCVRDP-JAOHYVKRSA-N 340.770 3.315 30 40 EGEB CC[C@@H](C)/C(O)=N/S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 48514156 KOXNXBJZNBJVES-MRVPVSSYSA-N 334.319 3.268 30 40 EGEB COC(=O)c1ccc([C@@H]2[C@H](C(=O)c3ccccc3)C2(C#N)C#N)cc1 4899161 YRMIDASIVMKUSC-IAGOWNOFSA-N 330.343 3.103 30 40 EGEB N#C[C@]1(c2ccccn2)Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]21 5896649 MISRPTAWNSSWEW-MOPGFXCFSA-N 334.379 3.366 30 40 EGEB COc1ccc(OC)c(N/C(N)=N/Cc2ccc3ccccc3n2)c1 69844827 AWGLFZAGIWXDQU-UHFFFAOYSA-N 336.395 3.179 30 40 EGEB COc1ccccc1[C@H](C#N)NC(=O)c1ccc(-n2nccc2C)cc1 71186434 AQMZLMSAOLNOJH-SFHVURJKSA-N 346.390 3.184 30 40 EGEB Cc1ccn2c(/C=C/C(=O)c3cnn(-c4ccccn4)c3C)cnc2c1 84248032 YFCKGGLSNAVXEH-VOTSOKGWSA-N 343.390 3.428 30 40 EGEB C#CCOc1ccc(/C=C2/SC(=O)N(CC=C)C2=O)cc1OCC 409105271 LYDXLMFDSQZULV-FOWTUZBSSA-N 343.404 3.320 30 40 EGEB CCOc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])c1O 36145030 CTWHMTOIXXWCIR-SXGWCWSVSA-N 346.299 3.053 30 40 EGEB CCn1cc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)c2ccccc21 250345767 PKUUGGVDVJWHNX-OTIOQCEHSA-N 347.418 3.192 30 40 EGEB CC(C)c1nc(N/N=C/c2cc(Cl)ccc2O)cc(N(C)C)n1 5849593 CHZHVFQQTAISMN-GIJQJNRQSA-N 333.823 3.471 30 40 EGEB C[C@@H](OC(=O)COc1ccc(C#N)cc1)C(=O)c1ccc2c(c1)CCC2 5990240 AXSPAMIOLNVWOQ-CQSZACIVSA-N 349.386 3.240 30 40 EGEB COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)c(OC)c1OC 7743640 FSIMGKYEOKOUSI-QPJJXVBHSA-N 342.347 3.337 30 40 EGEB Cc1nc2ccccc2c(=O)n1/N=C/c1ccc(Br)cc1 548985 XVHCUXUKFAQHTA-VCHYOVAHSA-N 342.196 3.350 30 40 EGEB COc1ccc([C@H]2CC(=O)[C@H](C(C)C)C(C#N)(C#N)C2(C#N)C#N)cc1 506223 ISMQMIQHILILPT-AEFFLSMTSA-N 346.390 3.091 30 40 EGEB COc1cccc(CSc2sc3c(O)cc(=O)[nH]c3c2C#N)c1 4945403 NLROUGDOXGNMNQ-UHFFFAOYSA-N 344.417 3.468 30 40 EGEB CN(CC(=O)NC1(C#N)CCCC1)Cc1ccc(C(F)(F)F)cc1 57900347 VHXLQXVAPGWVSJ-UHFFFAOYSA-N 339.361 3.090 30 40 EGEB CC(=O)Nc1ccc(/C(C)=N/O[C@@H](C)C(=O)N(C(C)C)C(C)C)cc1 14397948 YGRAUBBIFHFDIW-HBBMIWKISA-N 347.459 3.420 30 40 EGEB C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 5938348 WFUJTBFPKFDYRJ-JTQLQIEISA-N 329.287 3.012 30 40 EGEB N#Cc1ccccc1NC(=O)CSc1nc(-c2ccccc2)n[nH]1 18188051 FPGIXPHHYMPKJZ-UHFFFAOYSA-N 335.392 3.074 30 40 EGEB O=C1C[C@@H](/C(O)=N/c2nc(-c3cccs3)n[nH]2)c2ccccc2N1 95394882 YCNFXQQIQAADJJ-SNVBAGLBSA-N 339.380 3.247 30 40 EGEB COc1ccc(/C=C2\CCS(=O)(=O)c3ccccc3C2=O)cc1 31895392 BPGXKOQZRFBKOR-WYMLVPIESA-N 328.389 3.139 30 40 EGEB CCOc1ncc(C(=O)[C@@H](C#N)c2nc(C)cc(C)n2)cc1Cl 79029115 MSKSPQBXXZCLQX-GFCCVEGCSA-N 330.775 3.031 30 40 EGEB Cc1nc(SCc2ccc(Br)cc2)nc(N)c1C#N 225891173 NKRPVPVBLWUBBD-UHFFFAOYSA-N 335.230 3.294 30 40 EGEB N#Cc1cc(N)c(Cc2ccccc2)n1CC(=O)Nc1ccccc1F 225860111 QRNLXUKGSLTFLR-UHFFFAOYSA-N 348.381 3.311 30 40 EGEB C=CCN(c1ccc(C)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 224819455 VNUSTONXYHUKGY-UHFFFAOYSA-N 345.420 3.148 30 40 EGEB C=CCN(CCO)C(=O)Nc1ccc(Cl)c(Br)c1 88404978 MEBRRIMDWVCBHO-UHFFFAOYSA-N 333.613 3.115 30 40 EGEB CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)Cn2cc(C#N)cn2)cc1 331595429 URPKCXPJUNFSPR-SFHVURJKSA-N 336.439 3.416 30 40 EGEB C=CCCO[C@@H](C)C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 71909308 MXFZCFWSIZCTPK-SJORKVTESA-N 330.472 3.309 30 40 EGEB COc1cccc([C@]2(O)CC[C@H]3CN(Cc4cccc(C#N)c4)C[C@@H]32)c1 13568922 LAKGZRJWGZDTEI-YUXAGFNASA-N 348.446 3.296 30 40 EGEB CN(CCOc1cccc(Cl)c1)CC(=O)Nc1ccccc1C#N 14110211 CELWGRVVWIJBLM-UHFFFAOYSA-N 343.814 3.161 30 40 EGEB COc1ccc(OC)c(/C=N\N=C/c2cc(OC)ccc2OC)c1 16980966 GPEYOIVCDYPQHX-YZLQMOBTSA-N 328.368 3.174 30 40 EGEB CCOC(=O)c1ccc(N/N=C(\C#N)c2nc3ccccc3[nH]2)cc1 4812862 WXJJXYRDSVQPLM-XQNSMLJCSA-N 333.351 3.079 30 40 EGEB CC1=CC(=O)/C(=C2/C[C@@H](c3ccccc3)N(c3ccccc3)N2)C(=O)O1 102449420 SUZWDMGEXPKBQD-ONZPZFSWSA-N 346.386 3.426 30 40 EGEB CN(C(=O)CCC=O)c1cc([N+](=O)[O-])ccc1OCc1ccccc1 1657237 INHHWKPOIGBWOO-UHFFFAOYSA-N 342.351 3.116 30 40 EGEB Cc1ccc(S(=O)(=O)OC[C@]23CC[C@@](C)([C@H](O)C2)C3(C)C)cc1 103612066 ZFXRPTRISLWUBJ-NJAFHUGGSA-N 338.469 3.278 30 40 EGEB O=C1Nc2cc(Cl)ccc2N/C1=C/C(=O)c1ccc([N+](=O)[O-])cc1 104238105 YTAWDLWEQLDYOM-RIYZIHGNSA-N 343.726 3.379 30 40 EGEB NC1=C(c2nc3ccccc3s2)C(=O)CN1c1cccc(F)c1 5009224 UJZZZHMVCFECAF-UHFFFAOYSA-N 325.368 3.152 30 40 EGEB COc1cc(C(=O)/C=C/c2ccc(C(=O)O)cc2)cc(OC)c1OC 6639939 QSFJHQPTHBCRMP-RMKNXTFCSA-N 342.347 3.307 30 40 EGEB CC/N=C1/S/C(=C/C(=O)Nc2cccc(Cl)c2)C(=O)N1CC 4704087 BFBHDXBOMFTERZ-VAOWDNLSSA-N 337.832 3.134 30 40 EGEB Cc1csc(CN(C[C@@H]2CCCO2)C(=O)C#Cc2ccccc2)n1 95406196 UISWKLFWVCSCGZ-KRWDZBQOSA-N 340.448 3.011 30 40 EGEB N#Cc1ccc(NC(=O)[C@@H]2CCCN2c2ncnc3sccc23)cc1 69599955 YYXQQWRPFRXKNN-HNNXBMFYSA-N 349.419 3.170 30 40 EGEB COC(=O)c1ccc(/N=C\c2cc3c(cc2OC)OCO3)c(C)c1 409105021 HSTKFZZEMBUBTN-OCKHKDLRSA-N 327.336 3.270 30 40 EGEB C=CCOc1cccc(NC(=O)Cc2ccc(OC)c(OC)c2)c1 47081093 KZCLPNUHEZQKSF-UHFFFAOYSA-N 327.380 3.450 30 40 EGEB CCCOc1c(C#N)cc(I)cc1OCC 225291033 HDTABUSXBUXTRF-UHFFFAOYSA-N 331.153 3.350 30 40 EGEB CN(C)C1(CNc2c(C#N)cnc3ccc(Cl)cc23)CCOCC1 96429507 CIGSJFNIZOBLMB-UHFFFAOYSA-N 344.846 3.283 30 40 EGEB COc1ccc2c(c1)[C@H](/C(O)=N/Cc1nnc(C3CCC3)n1C)CC2 330346188 GENFCPAPHRQBFN-OAHLLOKOSA-N 340.427 3.278 30 40 EGEB CCCCCCCCCNC(=O)CSc1ncnc2nc[nH]c12 97971313 LWKVMOUVOUTQKF-UHFFFAOYSA-N 335.477 3.312 30 40 EGEB C[C@@]12CC[C@@H]3C[C@]1(C#N)N(NC(=O)c1ccccc1Cl)C[C@]32C 245242032 XBCBLBTZXMRLHC-GQAVTEOGSA-N 329.831 3.389 30 40 EGEB C=C(C)C[C@@H](C)C(=O)Nc1ccc(N2N=C(C3CC3)CC2=O)nc1 585128014 PNTKXDNAZKKPOZ-GFCCVEGCSA-N 326.400 3.125 30 40 EGEB COC(=O)c1ccc(C=Nn2c(S)nnc2C2CCCCC2)cc1 253616959 GWLMRJCFWZIOJC-UHFFFAOYSA-N 344.440 3.283 30 40 EGEB N#Cc1ccc(F)cc1CN1CCOC[C@H]1C[C@H](O)c1ccccc1 268635331 CLUDGUJCWOXVFA-UXHICEINSA-N 340.398 3.022 30 40 EGEB N#CC1(c2ccccc2)CCN(C[C@@H](O)c2ccc3c(c2)CCO3)CC1 13999860 VYTAQFZYTXPAFY-HXUWFJFHSA-N 348.446 3.212 30 40 EGEB C=CCN1C(=O)COc2ccc(-c3csc(NC(=O)CC)n3)cc21 19820159 KKQMXAUNJCEVDB-UHFFFAOYSA-N 343.408 3.070 30 40 EGEB COc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@@H]2c2ccc(C)cc2)cc1 5687227 AJOUVKPQJSPPNF-QGZVFWFLSA-N 337.375 3.212 30 40 EGEB Cc1noc(C)c1CSCC(=O)N(CC#N)Cc1ccccc1 54246466 BVJXUZXMQLNFAX-UHFFFAOYSA-N 329.425 3.077 30 40 EGEB COc1cccc(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)c1 24506903 ICMXOHIQNUZAGK-UHFFFAOYSA-N 347.336 3.424 30 40 EGEB CCOc1ccc(C#N)cc1NCC(=O)Nc1cc(F)ccc1F 58160278 NKVSHNXDUZRYLC-UHFFFAOYSA-N 331.322 3.286 30 40 EGEB O=C1COc2ccc(C(=O)/C=C/c3ccc(O)c(Cl)c3)cc2N1 58364882 PCCGSLURXIRFAG-DAFODLJHSA-N 329.739 3.273 30 40 EGEB C=CCn1c(SCc2nc(C(C)C)no2)nc2sccc2c1=O 12997752 LVEOCPSQGSYSDO-UHFFFAOYSA-N 348.453 3.443 30 40 EGEB C#CCOc1ccc(F)cc1NC(=O)NC(C)(C)c1nccs1 96435304 QAICUXXUJMZDTG-UHFFFAOYSA-N 333.388 3.351 30 40 EGEB CC(=O)Nc1ccc(S(=O)(=O)/N=C(\O)C[C@@H](C)CC(C)C)cc1 70029145 HOOZMDGLLUESMY-LBPRGKRZSA-N 340.445 3.363 30 40 EGEB N#Cc1ccc(F)cc1CN1CCC[C@H](c2nncn2C2CC2)C1 91629607 WWEAMXQHTSAGRO-AWEZNQCLSA-N 325.391 3.003 30 40 EGEB COc1cccc(C(=O)/C=C/Nc2ccc(N3CCOCC3)cc2)c1 33794061 DMDXTDQSPCSPFG-MDZDMXLPSA-N 338.407 3.340 30 40 EGEB N#Cc1ccc(C(=O)Oc2ccc(I)cc2)cc1 7747546 FQTRLQJAMQLRBV-UHFFFAOYSA-N 349.127 3.382 30 40 EGEB CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Nc1ccc(Br)cc1 32512490 GUWPGMPPPYJKKL-NHYWBVRUSA-N 338.249 3.304 30 40 EGEB CCN(CC)S(=O)(=O)c1ccc(NCc2ccccc2C#N)cc1 22250605 PVUUGWGNRAZZLU-UHFFFAOYSA-N 343.452 3.201 30 40 EGEB N#C[C@@H](C(=O)Nc1ccccn1)C(=O)c1csc(-c2ccccc2)n1 103717500 LDGPCDPSZVGYDR-CYBMUJFWSA-N 348.387 3.166 30 40 EGEB N#Cc1cccc(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1 23703232 IWTNPWLKLZZKOI-UHFFFAOYSA-N 346.356 3.294 30 40 EGEB C#C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@]3(F)[C@H](O)C[C@@]21C 4029994 FCLVCSQYVQXMRZ-WKRQGNNASA-N 348.458 3.025 30 40 EGEB biogenic N#CCc1ccc(NC(=O)NCc2ncc(-c3ccccc3)[nH]2)cc1 96007928 GFDPSGKNFDKPQT-UHFFFAOYSA-N 331.379 3.464 30 40 EGEB N#Cc1cnc(SCc2coc(-c3cccc(F)c3)n2)nc1N 36821908 MQTAHTJTUWEFMQ-UHFFFAOYSA-N 327.344 3.017 30 40 EGEB C[C@@H]1CCc2c(sc(NC(=O)c3cccc(C#N)c3)c2C(N)=O)C1 12854185 GAMMTQBCNUPSTP-SNVBAGLBSA-N 339.420 3.096 30 40 EGEB COC(=O)CC[C@@H]1C(C)=CC(=O)[C@]2(F)[C@@H]1CCC1=CC(=O)C=C[C@@]12C 104045732 YYGFGDBKJXEDKK-YAJHFMINSA-N 346.398 3.275 30 40 EGEB Cc1cc(C)n(-c2ccc(S(=O)(=O)/N=C(\O)C(C)(C)C)cc2)n1 48459671 KXZWIPZUWPZZAP-UHFFFAOYSA-N 335.429 3.180 30 40 EGEB N#Cc1cccc(OCC(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)c1 48829655 GZJCXZGCIWMUMP-AWEZNQCLSA-N 345.280 3.227 30 40 EGEB CCn1c(C)c(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c2ccccc21 409226185 SRODNOLNZOLWNW-FYHYWYESSA-N 347.418 3.111 30 40 EGEB N#Cc1ccc(CN2CCC(C(=O)N3CCCCCC3)CC2)c(F)c1 71881721 JAWROPQTSTZRLH-UHFFFAOYSA-N 343.446 3.312 30 40 EGEB C=CCn1c(Cc2ccccc2)nnc1Sc1ncnc2[nH]ccc12 69488508 MENSLVOLPOGIBW-UHFFFAOYSA-N 348.435 3.477 30 40 EGEB Cc1ccc(NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1 18175753 HZCHXVRZZRGQKA-UHFFFAOYSA-N 334.423 3.216 30 40 EGEB N#CCOc1cccc(CNC(=O)[C@H]2SCCc3sccc32)c1 76066275 DKLQHLZDHANKTO-INIZCTEOSA-N 344.461 3.297 30 40 EGEB O=[N+]([O-])c1cccc(N/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)c1 38176787 FLZXDOJPGBGUQB-VIZOYTHASA-N 336.691 3.308 30 40 EGEB C=CCN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccccc1 224665037 YNMBDEKUQXPUTD-UHFFFAOYSA-N 333.409 3.085 30 40 EGEB CC1(C)C[C@H](NC(=O)CC2(C#N)CCOCC2)c2ccccc2O1 1616043534 AXSGPUFCUHJOEB-HNNXBMFYSA-N 328.412 3.115 30 40 EGEB C[C@@H](SC(=S)N1CCCC1)C(=O)N(CCC#N)c1ccccc1 5287881 QZLAXNSTYIQSNE-CQSZACIVSA-N 347.509 3.436 30 40 EGEB N#CC1(C#N)[C@H](Cc2ccccc2)O[C@@]23CCCC[C@@H]2[C@@]1(C#N)C(=N)O3 102788752 GFOHRJRQVKEVJH-GIYDNNGJSA-N 346.390 3.065 30 40 EGEB COc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2c2ccccc2F)cc1 1440185 KGCTVQQSKSEUDF-KRWDZBQOSA-N 341.338 3.323 30 40 EGEB CCOC(=O)[C@H](C#N)[C@@]1(Cc2ccccc2)C[C@H](C)N(C)C[C@@H]1C 4696771 ISTLFIQBNBWVQL-ZTTFOMCMSA-N 328.456 3.278 30 40 EGEB Cc1sc(NC(=O)COC(=O)c2ccc(F)cc2)c(C#N)c1C 6200898 JMCFMECBOSZHCB-UHFFFAOYSA-N 332.356 3.171 30 40 EGEB C=CCn1nnnc1NCc1ccccc1OCc1ccc(F)cc1 6856487 ILTWYOWHFILLNI-UHFFFAOYSA-N 339.374 3.189 30 40 EGEB COCc1cc(C)n(Cc2ccc(-c3ccccc3)o2)c(=O)c1C#N 9295630 KJNZNTBTUNKPKY-UHFFFAOYSA-N 334.375 3.483 30 40 EGEB C=CCN(Cc1cccs1)C(=O)c1cc(OC)c2c(c1)OCCO2 21930271 WNACKPCIMYJSPJ-UHFFFAOYSA-N 345.420 3.356 30 40 EGEB O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc([N+](=O)[O-])o1 59105831 UIGJDDRSLCJTAI-YRNVUSSQSA-N 333.300 3.219 30 40 EGEB O=[N+]([O-])c1ccc(-c2cs/c(=N\N=C\c3ccc(O)cc3)[nH]2)cc1 4599074 WCYFRMYBGZEHNP-RQZCQDPDSA-N 340.364 3.292 30 40 EGEB Cc1c(C2CC2)nc2ccc(Br)cc2c1C(=O)NCC#N 81728434 ULYUQSMULCUFMA-UHFFFAOYSA-N 344.212 3.437 30 40 EGEB CN(Cc1nc2c(s1)CCCC2)C[C@@H](O)c1ccc(C#N)cc1 89364901 GHXSDNTTWJVRSP-MRXNPFEDSA-N 327.453 3.059 30 40 EGEB COc1ccc(CC(=O)N[C@H](C#N)c2ccccc2OC)c(Cl)c1 89432641 OXJZQXPULSZCAZ-MRXNPFEDSA-N 344.798 3.281 30 40 EGEB CC(C)(C#N)C(=O)Nc1ccc(N2CCc3sccc3C2)nc1 603954653 BLFBRFJRXQEZNC-UHFFFAOYSA-N 326.425 3.194 30 40 EGEB Cc1nnc(N/N=C/c2ccccc2)nc1N/N=C/c1ccccc1 27988842 HBKDRJODLIWREX-KVOOEGMKSA-N 331.383 3.072 30 40 EGEB N#Cc1cc([N+](=O)[O-])cnc1N1CCC(c2nc3ccccc3[nH]2)CC1 32888327 GLRXZPBMEGYDDD-UHFFFAOYSA-N 348.366 3.122 30 40 EGEB COc1ccc(-n2cccc2/C=N/N2C(=O)c3ccccc3C2=O)cc1 559008 MHCJSZIPDQZICF-FYJGNVAPSA-N 345.358 3.116 30 40 EGEB COc1cc(/C=C2/COc3ccccc3C2=O)c([N+](=O)[O-])cc1OC 33474289 UJLFBJMRSMEVCE-GHXNOFRVSA-N 341.319 3.271 30 40 EGEB CCc1sc(C(=O)[C@@H](C#N)C(=O)NCc2ccccc2)cc1C 103503584 JOJSRMURGDFJSN-CQSZACIVSA-N 326.421 3.258 30 40 EGEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)NCC3CC3)c2)c1 58174690 JEVSTPBKZGHQLI-UHFFFAOYSA-N 348.402 3.405 30 40 EGEB O=S(=O)(/N=C(\O)COCc1ccccc1Cl)c1ccccc1 48407035 JMZDUNJGTBBJMB-UHFFFAOYSA-N 339.800 3.202 30 40 EGEB O=S(=O)(Nc1cccnc1)c1ccc(/N=C/c2ccco2)cc1 20060647 JTNRVKYZBCUFMA-LDADJPATSA-N 327.365 3.226 30 40 EGEB Cc1cc(N2CC[C@H](N3CCCC3)C2)n2c(nc3ccccc32)c1C#N 72089555 RCBLLXVYEOZCMK-INIZCTEOSA-N 345.450 3.342 30 40 EGEB C[C@@H](COCc1ccccc1)NC(=O)c1c(F)cc(C#N)cc1F 176343062 HLCRRPDOGUUFEU-LBPRGKRZSA-N 330.334 3.172 30 40 EGEB C=C1C(=O)[C@]23CC[C@H]4[C@@](C)(C(=O)O)CCC[C@]4(C)[C@@]2(O)CC[C@@H]1C3 1077995381 AURKCYFYZBQUIZ-PBOOBJRZSA-N 332.440 3.334 30 40 EGEB biogenic N#Cc1ccc(F)cc1CN1CCOC[C@H]1C[C@@H](O)c1ccccc1 268635337 CLUDGUJCWOXVFA-WOJBJXKFSA-N 340.398 3.022 30 40 EGEB CN(C)c1ccc([C@@H]2CCCN2Cc2ccc(Cl)cc2C#N)nn1 591625575 SOMKLMZPLIJBPC-KRWDZBQOSA-N 341.846 3.405 30 40 EGEB COC(=O)c1cccc(C(=O)C(F)(F)C(F)(F)C(F)(F)F)c1 575362392 JZFAZCRSKCRTDL-UHFFFAOYSA-N 332.171 3.489 30 40 EGEB N#Cc1cc(-c2ccccc2)sc1NC(=O)Cn1cc(C2CC2)nn1 79107664 VWCQKUVUVAUKCE-UHFFFAOYSA-N 349.419 3.394 30 40 EGEB C=C(C)Cn1c(C)cc(C)c(S(=O)(=O)c2ccc(C)cc2)c1=O 1397527 VSOZBRCUSSEVMA-UHFFFAOYSA-N 331.437 3.182 30 40 EGEB O=[N+]([O-])c1ccccc1/N=C(\S)N/N=C1/CCc2ccccc21 56683741 DUUCYGUOQSIKRR-AQTBWJFISA-N 326.381 3.452 30 40 EGEB N#Cc1c(F)cccc1NC[C@@H](c1ccc(F)cc1)N1CCOCC1 58133335 UZLSDHFMPBEGKY-IBGZPJMESA-N 343.377 3.322 30 40 EGEB C=CCSc1nnc2n1-c1sc3c(c1-c1ncnn1-2)CCCC3 2395355 HEXMAZKWCJJGRG-UHFFFAOYSA-N 342.453 3.047 30 40 EGEB CC1=C2[C@H]3OC(=O)[C@H](CN4CCC[C@@H](C)C4)[C@@H]3CC[C@@]2(C)C=CC1=O 12658212 DOKPHLDPKYIWJE-QXSVJTPLSA-N 343.467 3.132 30 40 EGEB biogenic N#Cc1ccc(C(=O)NCC2(N3CCCCC3)CCCCC2)cc1 3311248 PDVJTRHIVRRMOT-UHFFFAOYSA-N 325.456 3.477 30 40 EGEB N#Cc1cccc(COC(=O)c2ccc(CN3CCCC3=O)cc2)c1 13023272 WNYNAGDRLXTDJB-UHFFFAOYSA-N 334.375 3.038 30 40 EGEB CCOC(=O)C1=C(C)/C(=N\Nc2ccc(OC(F)F)cc2)N=C1C 13303967 NWKIBPGSLNSWLM-KGENOOAVSA-N 337.326 3.368 30 40 EGEB C=CCn1nnnc1NCc1ccc(OCc2cccs2)cc1 6856423 BZNAZQASFQRSKF-UHFFFAOYSA-N 327.413 3.112 30 40 EGEB COC(=O)c1cc(CO/N=C(\C)c2ccc3c(c2)OCCO3)oc1C 5981360 CPAIMZVGWDKPAA-YBFXNURJSA-N 345.351 3.087 30 40 EGEB N#Cc1ccc(Nc2cccc(C(=O)N[C@]3(C#N)CCSC3)c2)cc1 96414367 MJWQOKNJEKFJJS-IBGZPJMESA-N 348.431 3.431 30 40 EGEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C1CC1)[C@H](C)c1cccnc1 69432717 DARFAQMQMIPZKI-CABCVRRESA-N 335.407 3.473 30 40 EGEB C[C@H](NCC(=O)NC1(C#N)CCCCC1)c1ccc(Cl)s1 97111470 AGSUNFQSVFGUQQ-NSHDSACASA-N 325.865 3.395 30 40 EGEB C#CC[C@@H](C)NC1CCN(Cc2ccccc2Br)CC1 95983912 DWLMOEACOHDQPJ-CQSZACIVSA-N 335.289 3.415 30 40 EGEB C=CCN(CC=C)C(=O)c1onc(-c2ccc(OC)cc2)c1[C@H](C)O 225430674 WOAYMTOLTVQSJH-ZDUSSCGKSA-N 342.395 3.218 30 40 EGEB biogenic,in-vitro C=CCSc1nnc(NS(=O)(=O)c2ccc(F)cc2C)s1 225601016 KNVRPMUAQGJGSU-UHFFFAOYSA-N 345.446 3.065 30 40 EGEB C[C@@H]1C[C@@H](NC(=O)Nc2ccc(CC#N)cc2)C(=O)N1c1ccccc1 96433892 QULRGNGUSNQZEK-RDTXWAMCSA-N 348.406 3.068 30 40 EGEB C=CCN1CCC[C@]12CCCN(C(=O)c1ccc3ncccc3c1)C2 96071447 CKWNJAFSXQCNMY-NRFANRHFSA-N 335.451 3.491 30 40 EGEB C=CCOc1ccc(Cl)cc1C(=O)NCc1n[nH]c2c1CCCC2 12147358 SDTSNDJURZDTEQ-UHFFFAOYSA-N 345.830 3.437 30 40 EGEB CCCCCCCC[C@H]1Cc2cc(O)c(C(=O)O)c(O)c2[C@H](O)O1 102997332 SKYDJPNCOZADBB-KPZWWZAWSA-N 338.400 3.479 30 40 EGEB biogenic,in-vitro CC(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccccc1Cl 351066 YZAQZFXQYKJJIZ-MRXNPFEDSA-N 342.782 3.220 30 40 EGEB Cc1ccc(C(=O)NC2CCN(Cc3ccccc3C#N)CC2)s1 51098715 MOMKJLSQQXWMHH-UHFFFAOYSA-N 339.464 3.323 30 40 EGEB COc1cc(NC(=O)Cn2cc(C#N)c3ccccc32)cc(OC)c1 51319078 KPHVCILMSLKJSB-UHFFFAOYSA-N 335.363 3.169 30 40 EGEB C[C@H](CC#N)N(C)C(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1 84636675 RWSPOHJOHAKJTL-SECBINFHSA-N 348.300 3.127 30 40 EGEB C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccc(CC#N)cc2)CC1=O 61058827 WYSHCCLDNGAWMF-YJBOKZPZSA-N 347.418 3.301 30 40 EGEB COc1ccc(CS(=O)(=O)[C@@H](C)c2ccc(F)cc2)cc1C#N 95431233 ZLNRTNYPHHZHFN-LBPRGKRZSA-N 333.384 3.382 30 40 EGEB Cc1ccc(Cn2nccc2NC(=O)COc2ccc(C#N)cc2)cc1 14115906 MQUGABAKZUNKOV-UHFFFAOYSA-N 346.390 3.129 30 40 EGEB C#Cc1cccc(NC(=O)C2CCC(NC(=O)C3CCCC3)CC2)c1 69419289 OSZHDLUAOKUDQL-UHFFFAOYSA-N 338.451 3.472 30 40 EGEB Cc1cc(C)c(C#N)c(SCC(=O)NCCc2cccs2)n1 8725865 QGIPELKOFFZBMO-UHFFFAOYSA-N 331.466 3.083 30 40 EGEB N#C[C@@H](C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)c1ccc2ccccc2n1 89873126 RGTXGXKAEROICO-IAGOWNOFSA-N 347.418 3.060 30 40 EGEB CC(C)N1C(=O)/C(=N/NC(=S)Nc2ccccc2)c2ccccc21 409226711 RRVCZXYQLXJMRL-CAPFRKAQSA-N 338.436 3.132 30 40 EGEB O=S(=O)(/N=C(\O)CCc1cscn1)c1ccccc1Cl 73087351 NVBCITOHIFWICV-UHFFFAOYSA-N 330.818 3.075 30 40 EGEB N#Cc1cc(N2CCO[C@H](c3ccc(Br)cc3)C2)ccn1 252484449 FWOLLZKPJNKYBY-INIZCTEOSA-N 344.212 3.294 30 40 EGEB N#Cc1nn(-c2ccc(F)cc2)nc1N1CC[C@@H](c2ccccc2)C1 256046720 HQLQYKNFTUEFHQ-OAHLLOKOSA-N 333.370 3.272 30 40 EGEB COc1cc(C#N)cc(Cl)c1OCc1nnc([C@@H]2CCCOC2)o1 591598342 QKEGZFUYKNPFEY-LLVKDONJSA-N 349.774 3.076 30 40 EGEB Cc1ccc([C@H]2CCCN2C[C@@H](O)CC2(C#N)CCOCC2)cc1 599247755 FLXRISYLCZDHIG-RBUKOAKNSA-N 328.456 3.203 30 40 EGEB CC(C)n1c(CNC(=O)COc2ccccc2C#N)nc2ccccc21 76017555 SXODMYRZSHPPDM-UHFFFAOYSA-N 348.406 3.184 30 40 EGEB COc1ccc(C(=O)O/N=C2\CCOc3cc(OC)ccc32)cc1 208772 AKHVJPSQMTWEQK-KNTRCKAVSA-N 327.336 3.047 30 40 EGEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCCOc1ccccc1 11089797 MHDMENZJABRFNG-UHFFFAOYSA-N 349.390 3.449 30 40 EGEB Cc1cc(C)c(C#N)c(N2CCC[C@H](COc3nccs3)C2)n1 2298188612 ZBBISJWTUFDTBI-AWEZNQCLSA-N 328.441 3.322 30 40 EGEB CNC(=O)c1ccc(CN(Cc2ccc(C#N)cc2F)C2CC2)cc1 25195830 KTYQABZUJQOCQE-UHFFFAOYSA-N 337.398 3.222 30 40 EGEB O=[N+]([O-])c1ccc(-c2ccc(/C=N/N3CCOCC3)o2)c(Cl)c1 1405358 NUMYKHIBOLAYSJ-LICLKQGHSA-N 335.747 3.174 30 40 EGEB N#Cc1cccc(CN2CC[C@]3(CCC[C@@H]3C(=O)N3CCCC3)C2)c1 108530936 CMUWENPYCUBDHO-TZIWHRDSSA-N 337.467 3.173 30 40 EGEB CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)C12CC3CC(CC(C3)C1)C2 10800865 PYHNIYYQNYZNLR-KLJIWYGHSA-N 346.471 3.189 30 40 EGEB N#Cc1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2)cc1Cl 59772034 DDTJFXWXEISDIL-UHFFFAOYSA-N 328.727 3.291 30 40 EGEB C=CCn1c(O)c(C(=O)N[C@H](C)c2ccccc2)c(=O)c2ccccc21 5729984 YQHJTXJALSJKCP-CQSZACIVSA-N 348.402 3.384 30 40 EGEB O=C(COc1ccc(/C=N\c2ccccc2)cc1)NC[C@H]1CCCO1 408800653 OFQFFEUTELXPMY-UOIFGXKSSA-N 338.407 3.111 30 40 EGEB C=CC/N=C(/SCC(=O)c1ccc([N+](=O)[O-])cc1)N1CCCC1 17089767 YZWDWMVYLGYSMU-WUKNDPDISA-N 333.413 3.149 30 40 EGEB COC(=O)c1cc(CNc2ncc(C#N)cc2Cl)ccc1OC 69436063 SZZCJBNFRJJUIG-UHFFFAOYSA-N 331.759 3.014 30 40 EGEB N#Cc1cccc(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)c1 69777853 QMRWMHUNSXKXCJ-MRXNPFEDSA-N 339.464 3.262 30 40 EGEB Cc1c(/C=N/c2cccc(O)c2)c(=O)n2c([nH]c3ccccc32)c1C#N 1505840503 HCBRIFRPJWUIIA-SSDVNMTOSA-N 342.358 3.417 30 40 EGEB COc1ccc(/C=N\OCC(=O)Nc2ccccc2Cl)cc1OC 33366471 DJNODPFSFXVWLI-GRSHGNNSSA-N 348.786 3.346 30 40 EGEB C[C@H](Sc1nccn1C1CC1)C(=O)N(C)C1(C#N)CCCCC1 11894961 SZEKLETZKCLRBF-ZDUSSCGKSA-N 332.473 3.383 30 40 EGEB O/N=C1/C(c2ccccc2)=Nc2ncnn2[C@@H]1c1ccc(Cl)cc1 4755666 ZZOFXINIAFEJDW-GRVPHDJPSA-N 337.770 3.486 30 40 EGEB C[C@@H](NC(=O)OC(C)(C)C)C(=O)[C@@H](C#N)c1nc2ccccc2s1 41499501 WDIQVNSQUJYUAZ-GHMZBOCLSA-N 345.424 3.386 30 40 EGEB C[C@H](c1ccccc1F)N(CC(=O)N[C@](C)(C#N)C1CC1)C1CC1 106133416 JEYZUGQDDMMNSW-BFUOFWGJSA-N 329.419 3.160 30 40 EGEB COc1ccc(OC)c(/C=C/C(=O)c2ccc3c(c2)OCCO3)c1 4832373 ZYFYDHSWIKUVLR-ZZXKWVIFSA-N 326.348 3.371 30 40 EGEB COC1=CC(=O)C2=C(C1=O)[C@@]1(C)CCC[C@](C)(COC(C)=O)[C@H]1CC2 104080919 DZJPRQGFOUDQTE-AHRSYUTCSA-N 346.423 3.135 30 40 EGEB Cn1nc(C(C)(C)C)cc1C(=O)Nc1cc(C#N)cn1C(C)(C)C 72271659 LLWBQMANYPLFBA-UHFFFAOYSA-N 327.432 3.398 30 40 EGEB CCc1nc2ccccc2n1CC(=O)OCCOc1ccc(C#N)cc1 20084633 BKVHIEFPJKWMNK-UHFFFAOYSA-N 349.390 3.093 30 40 EGEB CC1=NN(c2ccc(C(=O)N(CCC#N)Cc3cccnc3)cc2)CC1 65627005 DGKKISYURLSNFK-UHFFFAOYSA-N 347.422 3.224 30 40 EGEB CCC(CC)n1ccc(C(=O)N[C@H](C#N)c2ccccc2OC)n1 96482985 APDJHLKGCFHVJS-MRXNPFEDSA-N 326.400 3.247 30 40 EGEB CC(C)[C@@](C)(C#N)NC(=O)COc1ccc(Br)cc1F 7200601 RAFOSUXEPDLULJ-CQSZACIVSA-N 343.196 3.021 30 40 EGEB C[C@H]1CN(c2oc(COc3ccc(Cl)cc3)nc2C#N)C[C@@H](C)O1 16810162 LDWGQSSRGZBPHO-TXEJJXNPSA-N 347.802 3.392 30 40 EGEB Cc1nnc2ccc(C(=O)Nc3sc4c(c3C#N)CCCC4)cn12 69493672 HFBWAXJCMKUIPR-UHFFFAOYSA-N 337.408 3.102 30 40 EGEB N#C[C@@H](Sc1nncn1CCc1ccccn1)C1CCCCC1 71908694 XLWNFCJYRFGZCQ-MRXNPFEDSA-N 327.457 3.480 30 40 EGEB N#Cc1c(-c2ccc(OCC(=O)O)cc2)c(-c2ccccc2)c[nH]c1=N 408980199 PTXGRPYUDKOKPB-UHFFFAOYSA-N 345.358 3.163 30 40 EGEB O=[N+]([O-])c1ccccc1S(=O)(=O)OC12CC3CC(CC(C3)C1)C2 408733266 WSZWOXQBFJBLHX-UHFFFAOYSA-N 337.397 3.269 30 40 EGEB Cc1ccc(/C(N)=N/OCC(=O)Nc2ccc(F)c(Cl)c2)cc1 39992617 MGVILYKKJGMHRZ-UHFFFAOYSA-N 335.766 3.063 30 40 EGEB C=CCN(c1cccc(C)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 224996580 IGIJUKCKYTXCMH-UHFFFAOYSA-N 332.381 3.285 30 40 EGEB CSc1nc(NC[C@H](C)O)c(C#N)c(-c2ccc(Cl)cc2)n1 19820544 AKBWJEHYWSKKPN-VIFPVBQESA-N 334.832 3.183 30 40 EGEB C/N=C(\NC[C@@H]1CC=CCC1)N(C)Cc1csc([C@@H](C)OC)n1 156300948 QTDXFPZUEJCWNM-ZIAGYGMSSA-N 336.505 3.214 30 40 EGEB N#Cc1cc2ccccc2nc1N1CC(N2CCc3sccc3C2)C1 1775970566 GBIPDLPAJWDLRJ-UHFFFAOYSA-N 346.459 3.415 30 40 EGEB N#CC(C#N)(c1c[nH]c2ccccc12)C1C(=O)c2ccccc2C1=O 100990310 YLBSNRRZZZDKFK-UHFFFAOYSA-N 325.327 3.148 30 40 EGEB C=CCn1c(SCCCC(=O)OCC)nnc1-c1ccoc1C 57480873 OHGOTUFBCLTTLK-UHFFFAOYSA-N 335.429 3.468 30 40 EGEB C/N=c1\scc(-c2ccco2)n1/N=C/c1ccccc1[N+](=O)[O-] 12661031 WYHUEKHAMNOBLB-BULSJCKZSA-N 328.353 3.131 30 40 EGEB CCSc1nc2n(n1)[C@H](c1cccc(O)c1)C1=C(CCCC1=O)N2 4436171 YSPKITCYEARGPE-OAHLLOKOSA-N 342.424 3.118 30 40 EGEB CC(=O)c1cccc(S(=O)(=O)N(CCC#N)c2ccc(C)cc2)c1 65513121 ACALYKMAOBLAIQ-UHFFFAOYSA-N 342.420 3.307 30 40 EGEB S=C(N/N=C/c1ccccc1Br)Nc1cccnc1 9439231 VBMLYWLIJLVDKM-LZYBPNLTSA-N 335.230 3.165 30 40 EGEB COc1cccc(S(=O)(=O)/N=C(\O)c2sccc2C2CC2)c1 71859303 MKSYJZRSZUMUIV-UHFFFAOYSA-N 337.422 3.328 30 40 EGEB Cc1cc(C)c(C#N)c(NCC2(N3CCSCC3)CCCC2)n1 97286632 CJEYINXFTFMEPE-UHFFFAOYSA-N 330.501 3.344 30 40 EGEB N#CCOc1cccc(CNC(=O)N2CC[C@@H](Cc3ccccc3)C2)c1 76087035 AHDIEFBPYNIPPG-IBGZPJMESA-N 349.434 3.363 30 40 EGEB C=CCN(c1cc(C(=O)OC)ccc1C)S(=O)(=O)c1ccccc1 224670567 CBUZMCZOMAWGPD-UHFFFAOYSA-N 345.420 3.163 30 40 EGEB Cc1nc(NC[C@@H]2CCCO[C@H]2c2ccnn2C)c(Cl)cc1C#N 596506398 STWPXKXGVBTSIL-BLLLJJGKSA-N 345.834 3.228 30 40 EGEB N#Cc1sc2ccccc2c1N1CCC(N2CCCNC2=O)CC1 1615587658 PMFXRFPVDILGSG-UHFFFAOYSA-N 340.452 3.157 30 40 EGEB COc1cc(/C=N\Nc2ocnc2C#N)ccc1OCCC(C)C 94992867 SMYSFMAWKCRRIP-JMIUGGIZSA-N 328.372 3.426 30 40 EGEB C#CCOc1ccccc1CN1CCC(c2n[nH]c3ncccc23)CC1 12143434 ZPSLWVSDIQHPLM-UHFFFAOYSA-N 346.434 3.350 30 40 EGEB N#Cc1ccnc(O[C@@H]2CCCN(C(=O)CC3CCCCC3)C2)c1 575605780 MTSJXMONBJKCSB-QGZVFWFLSA-N 327.428 3.293 30 40 EGEB N#Cc1ccnc(N2CCC(COc3ccncc3Cl)CC2)c1 1889096074 ZUYASSMRVGUGLO-UHFFFAOYSA-N 328.803 3.297 30 40 EGEB Cc1nc(COc2ccc(C=C3C(=O)c4ccccc4C3=O)cc2)no1 58192208 PJHFWJMPWWZORM-UHFFFAOYSA-N 346.342 3.420 30 40 EGEB C[C@H](Nc1ncccc1C#N)[C@H](O)c1ccc(Br)cc1 58217684 NFGCPJSEPVYXRL-HZMBPMFUSA-N 332.201 3.250 30 40 EGEB CCOC(=O)c1ccc(-c2ccc(/C=N\C(=S)C(N)=S)o2)cc1 100936268 AXLIHYBVZFGCSD-NVMNQCDNSA-N 346.433 3.156 30 40 EGEB N#Cc1c(N)sc2c1CCN(c1nnc(-c3ccccc3)s1)C2 95407726 VJZSGPQIZBILGJ-UHFFFAOYSA-N 339.449 3.283 30 40 EGEB COCCOCc1cc(C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)ccc1F 96426535 XHJRUJZPJLZQTN-KUHUBIRLSA-N 348.418 3.191 30 40 EGEB C=CCNC1=NN=C(c2ccc(OC)c(Br)c2)CS1 9584472 UZVCPXKGXKEBKJ-UHFFFAOYSA-N 340.246 3.040 30 40 EGEB N#Cc1cccc(C(=O)NCc2cc(Cl)c3c(c2)OCCCO3)c1 8278263 HAMWNZKRVDHBSM-UHFFFAOYSA-N 342.782 3.303 30 40 EGEB N#C[C@@]1(NC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)CCSC1 69844409 ZKCULLIRHQKCKB-INIZCTEOSA-N 347.827 3.053 30 40 EGEB CCOc1cc2c(cc1/C=N\c1ccc(C(=O)OC)cc1)OCO2 409107292 RRRJIBWMGPGUKX-GRSHGNNSSA-N 327.336 3.351 30 40 EGEB C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CCCC[C@H]1OC 80485486 AQDIVDZXLJVOIV-ZWKOTPCHSA-N 327.428 3.213 30 40 EGEB N#CCN1CCC(CNC(=O)c2ccc(Oc3ccccc3)o2)CC1 96452097 YIPCFPPGYZLZQG-UHFFFAOYSA-N 339.395 3.037 30 40 EGEB CSc1nc2n(n1)[C@H](c1ccc(F)cc1)C1=C(C[C@@H](C)CC1=O)N2 14165062 JBPANFYMOLTLNF-RFAUZJTJSA-N 344.415 3.407 30 40 EGEB N#Cc1cccnc1N1C[C@H]2CN(c3ccnc4ccccc34)C[C@@H]2C1 2086868884 VJFZNUGDNOTAQS-IAGOWNOFSA-N 341.418 3.074 30 40 EGEB C[C@@H](Nc1ccc(C#N)cn1)[C@@H](O)c1ccc(Br)cc1 58341582 FHNAFUNYKXPJBQ-MEBBXXQBSA-N 332.201 3.250 30 40 EGEB Cc1cc(C(F)(F)F)c(C#N)c(S[C@H]2CCCCNC2=O)n1 10992349 JAPCPSFXTZZGCT-NSHDSACASA-N 329.347 3.041 30 40 EGEB CNc1ccc(/C=C/C(=O)c2ccc(O)c(OC)c2)cc1[N+](=O)[O-] 28913240 QNHFUKZJBDUXHD-QPJJXVBHSA-N 328.324 3.247 30 40 EGEB O=C(CSCc1ccc(Cl)cc1Cl)/N=C1/NCCS1 48963143 XKYUGXNSIRAQAJ-UHFFFAOYSA-N 335.281 3.446 30 40 EGEB Cc1ccc(/C=N/Nc2nncn2/N=C/c2ccc(C)s2)s1 4499585 SVUXEUHSSWQPQH-GXZANXLRSA-N 330.442 3.346 30 40 EGEB N#C[C@H](NC(=O)c1cc(F)ccc1F)c1cnn(-c2ccccc2)c1 68399920 WDSFANRXIKLXIT-KRWDZBQOSA-N 338.317 3.145 30 40 EGEB CN(C)c1ccc(/C=N/OCc2nnc(-c3ccc(F)cc3)o2)cc1 8344274 HIGLULZUKHSIDS-RGVLZGJSSA-N 340.358 3.492 30 40 EGEB CNC(=O)c1ccc(/C=C/C(=O)c2ccc(-n3ccnc3)cc2)cc1 71916324 YKSAILVFRZBHNQ-NYYWCZLTSA-N 331.375 3.128 30 40 EGEB Cc1sc(-c2ccco2)nc1C(=O)Nc1ccn(CCC#N)n1 71910459 PEDGTTPTEDGLFS-UHFFFAOYSA-N 327.369 3.074 30 40 EGEB CCOc1ccccc1N1CCN(c2nc3c(cc2C#N)CCC3)CC1 95352979 KYVLPSVTFQBVOH-UHFFFAOYSA-N 348.450 3.167 30 40 EGEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1C[C@H](C)Oc2ncccc21 195579180 RVXWFPQZMLQPKX-LBPRGKRZSA-N 348.362 3.073 30 40 EGEB Cc1ccc(OCCN2C(=O)/C(=N\O)c3c(Cl)cccc32)cc1 46085218 BQYCCMDUXIYMAG-MNDPQUGUSA-N 330.771 3.252 30 40 EGEB CC1(C)[C@H](Nc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)[C@@H]2CCO[C@H]21 230102537 YAQFDPSUBLSYFB-JCURWCKSSA-N 338.367 3.240 30 40 EGEB N#CC1=NN(c2ccc(Cl)cc2Cl)[C@@H]2CCCCCN2C1=O 33436182 UPNJAXFDUAVGLY-CQSZACIVSA-N 337.210 3.422 30 40 EGEB N#C[C@H]1CN(Cc2cn(-c3ccccc3)nc2-c2ccccc2)CCO1 106309444 TTXYBGIKERMOLF-FQEVSTJZSA-N 344.418 3.264 30 40 EGEB C[C@@H](Oc1cccc(Cl)c1)c1ccnc2nc(/N=C/N(C)C)nn12 100554942 QCIDABMIGABSSL-VURRPDKYSA-N 344.806 3.139 30 40 EGEB COc1ccc(/C=C\C(=O)c2ccc(OC)c(OC)c2O)cc1OC 8618829 BOYAGHNMYQPGKZ-YVMONPNESA-N 344.363 3.323 30 40 EGEB O=C(O)c1ccccc1NC(=O)C(F)(F)C(F)(F)C(F)(F)F 2300644 JEZNKLYJYJESLE-UHFFFAOYSA-N 333.159 3.156 30 40 EGEB N#Cc1ccc(CNC2CCN(C(=O)C3CCCCC3)CC2)cc1 48712256 ABEZDCFHZWUHRA-UHFFFAOYSA-N 325.456 3.219 30 40 EGEB CCOc1cc(/C=C2/S/C(=N/C)N(C)C2=O)cc(Cl)c1OC 408929602 LLBHIWYICUORBW-MSEWRAJFSA-N 340.832 3.279 30 40 EGEB Cn1cc([C@@H]2C[C@H]2C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)cn1 68456388 BCKOQZHERXULPW-ZOWXZIJZSA-N 349.221 3.211 30 40 EGEB C=C[C@H](C)N1C(=O)S/C(=C\c2ccc(N3CCOCC3)cc2)C1=O 409083512 BFHDVEHUDVCDFC-WIOAZZGGSA-N 344.436 3.134 30 40 EGEB COc1ccc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(OC)c1C 408595043 VKTIODBHUKVCEW-VCHYOVAHSA-N 330.340 3.471 30 40 EGEB COc1cccc(-c2csc3ncnc(-n4ncc(C#N)c4N)c23)c1 36646091 JIGAGJOHLOHNIG-UHFFFAOYSA-N 348.391 3.006 30 40 EGEB Cc1cc(S(=O)(=O)/N=C(\O)[C@H]2C[C@@H]2C)sc1Br 84852183 NNZGEAXYJAQPCL-FSPLSTOPSA-N 338.248 3.120 30 40 EGEB N#Cc1cccc(OC[C@@H]2CO[C@@H]3CN(Cc4ccsc4)C[C@H]23)c1 96218523 RFHTWPWJVREYBS-BHIYHBOVSA-N 340.448 3.146 30 40 EGEB COc1ccc(C2=NO[C@H](C/N=C(/O)[C@@H]3Cc4ccccc43)C2)cc1 330033262 YKCHLDUIOBCMNP-FUHWJXTLSA-N 336.391 3.485 30 40 EGEB C/N=C(\NCc1ccsc1)NC[C@@H]1CCO[C@H]1c1ccccc1 89597924 URKCRVQPILTWLD-IRXDYDNUSA-N 329.469 3.191 30 40 EGEB O=C1C=C/C(=N\S(=O)(=O)c2ccc3ccccc3c2)C=C1Cl 17282485 IJDICFCNFUOAEK-QGOAFFKASA-N 331.780 3.231 30 40 EGEB C[C@@H](OC(=O)Cc1ccc(Cl)cc1)C(=O)Nc1cccc(C#N)c1 7482168 FWIVYWLZRJYKEA-GFCCVEGCSA-N 342.782 3.325 30 40 EGEB NC(=O)c1ccccc1N/C=C/C(=O)c1ccc(Br)cc1 44974971 GJJNPJBJNHCXEA-MDZDMXLPSA-N 345.196 3.357 30 40 EGEB C=CCNc1nnc(Sc2nnc(CC)c(CC)c2C#N)s1 95411897 FLYOBUCVAKTCBL-UHFFFAOYSA-N 332.458 3.074 30 40 EGEB C#CCOc1ccccc1CNCc1ccc(-n2nc(C)cc2C)nc1 48742873 QOWUVHYQVVFBFW-UHFFFAOYSA-N 346.434 3.186 30 40 EGEB N#Cc1c(Cl)nsc1N[C@H](CN1CCOCC1)c1ccccc1 69622829 QKBVFTOBCHAFPM-CQSZACIVSA-N 348.859 3.154 30 40 EGEB C[C@@H](Oc1cccc(C#N)c1)C(=O)Nc1ccc(Cn2ccnc2)cc1 69653462 FWEHXEKDZMGWQP-OAHLLOKOSA-N 346.390 3.209 30 40 EGEB N#CCCn1ncc2c(N[C@@H]3CCC[C@H](C(F)(F)F)C3)ncnc21 97200313 CRLACMKULZAREU-WDEREUQCSA-N 338.337 3.273 30 40 EGEB N#Cc1c(F)cccc1NCc1ccc(CN2CCOCC2)cc1 26760264 FPQXXQUOBKHBMR-UHFFFAOYSA-N 325.387 3.142 30 40 EGEB COc1ccc(C=Nn2c(S)nnc2-c2ccccc2)c(OC)c1 253616978 KXQMXSYNOAAIEG-UHFFFAOYSA-N 340.408 3.133 30 40 EGEB OC[C@](F)([C@H](F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F 95671204 PCGUNVYNJIFBQT-HRFVKAFMSA-N 332.084 3.420 30 40 EGEB C/C(=N\NC(=S)NC1CCCCC1)c1ccc(C)c([N+](=O)[O-])c1 5119871 IXXRCKIDRQBRLU-LDADJPATSA-N 334.445 3.424 30 40 EGEB COc1cc(C#N)ccc1OCc1nnc(-c2ccc(F)cc2)o1 24975791 ZGKWXFKPLDGQRV-UHFFFAOYSA-N 325.299 3.335 30 40 EGEB Cc1ccc(/N=C2/C(=O)N(CN3CCOCC3)c3ccccc32)c(C)c1 102806431 FMNCNVNGACUZBU-LSDHQDQOSA-N 349.434 3.061 30 40 EGEB C[C@H](O/N=C(/N)c1ccc(Cl)cc1)C(=O)NC1CCCCCC1 31083369 CQSWTJHQHALTNI-LBPRGKRZSA-N 337.851 3.204 30 40 EGEB CCCCNC(=S)N(C)/N=C/c1ccc(OC(F)F)c(OC)c1 20933423 NNMZBAOIOOTJPX-VXLYETTFSA-N 345.415 3.237 30 40 EGEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N(C)Cc1ccc(O)cc1 52962691 ZVCFRHVKCAZUEV-UHFFFAOYSA-N 335.363 3.228 30 40 EGEB N#C[C@H](C(=O)CCc1ccccc1Cl)C(=O)Nc1ccccn1 103717593 QSZJFRQXRAZGQE-CYBMUJFWSA-N 327.771 3.015 30 40 EGEB COc1ccc2nc(SCC(=O)N3CCCCC3)c(C#N)cc2c1 411957 DGQFGSZQDHRAIV-UHFFFAOYSA-N 341.436 3.220 30 40 EGEB N#CC1(C(=O)N2CCC(C(=O)c3cc(F)ccc3F)CC2)CCCC1 58265552 COCJDAAEZZDJQV-UHFFFAOYSA-N 346.377 3.470 30 40 EGEB N#Cc1c(NC2=NS(=O)(=O)c3ccccc32)sc2c1CCCC2 3285370 MZVOWUIBUDGQCA-UHFFFAOYSA-N 343.433 3.060 30 40 EGEB COc1ccc([C@@H]2CCCN2C(=O)COc2ccc(C#N)cc2)cc1 9112989 HXCFGSSYUWEZHD-IBGZPJMESA-N 336.391 3.309 30 40 EGEB CSc1ccc(/C=[N+](\[O-])[C@@H]2SC(=S)N(C)C2(C)C)cc1 13756846 RVFFJJITOVMDLG-DZZSIBQASA-N 326.512 3.406 30 40 EGEB C/N=C(/NCC1(c2ccccc2Cl)CCOCC1)N1CCCC1 81721434 IAISHQMPZLRCIB-UHFFFAOYSA-N 335.879 3.059 30 40 EGEB C[C@@H](C1CC1)N(CCC#N)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 69383499 IWXIWBASECFWOV-AWEZNQCLSA-N 349.475 3.174 30 40 EGEB N#CCCCS(=O)(=O)NCc1cccc(-c2ccc(C#N)s2)c1 71916260 ILWZVBOGTCYLCB-UHFFFAOYSA-N 345.449 3.010 30 40 EGEB Cc1nc(C(=O)Nc2ccc(C#N)cc2Br)ccc1C#N 72280988 LSOLQZJUBWGBJD-UHFFFAOYSA-N 341.168 3.148 30 40 EGEB C=C(C)CN(CC)S(=O)(=O)c1cc(C)ccc1Br 95980064 QWGYOGOJRYHVGC-UHFFFAOYSA-N 332.263 3.344 30 40 EGEB CCN(CC)Cc1ccc(C(=O)NC2(C#N)CCSCC2)cc1 89968996 RRUCDOURYSQJRK-UHFFFAOYSA-N 331.485 3.048 30 40 EGEB C=CCNC(=O)C(=O)c1c(-c2ccc(OC)cc2)cc2ccccn12 408675634 JZXSVWFKMRBLLM-UHFFFAOYSA-N 334.375 3.100 30 40 EGEB CC1=NOC(=O)/C1=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 409077572 DTCTUGYZOQGSSM-LICLKQGHSA-N 338.319 3.490 30 40 EGEB CN(C)C(=O)c1cccc(C(=O)[C@H](C#N)c2nc3ccccc3o2)c1 78411125 HMUGVCBXRMMZNV-AWEZNQCLSA-N 333.347 3.020 30 40 EGEB N#Cc1ccc(Nc2cccc([C@@H]3CCCN3Cc3cn[nH]c3)n2)cn1 585295431 ZECHPFSYRYBQFM-SFHVURJKSA-N 345.410 3.152 30 40 EGEB O=S(=O)(/N=C(\O)c1ccoc1)c1ccc(F)cc1C(F)(F)F 71883913 GIMIFBKYQUXQJS-UHFFFAOYSA-N 337.250 3.131 30 40 EGEB Cc1cc(NCCCN2CCCC2=O)n2c(nc3ccccc32)c1C#N 4384664 QSICINKIRBXSLF-UHFFFAOYSA-N 347.422 3.092 30 40 EGEB COc1ccc(CCNc2nc(C)c([N+](=O)[O-])c(C)c2C#N)cc1 20791002 BILRHXLOIQQWHT-UHFFFAOYSA-N 326.356 3.142 30 40 EGEB CCCCOc1ccc(/C=N\NS(=O)(=O)c2ccccc2)cc1 32561924 GARKNZMXLWQCII-JXAWBTAJSA-N 332.425 3.178 30 40 EGEB O=C1C=C(Nc2ccc(Br)cn2)C(=O)c2ccccc21 103831601 BSFNNSOBGXGAIA-UHFFFAOYSA-N 329.153 3.219 30 40 EGEB N#Cc1ccc(-c2ccc(OC[C@@H](O)CN3CCCCC3)cc2)cc1 380606 NEIURDCIMIBDQF-FQEVSTJZSA-N 336.435 3.451 30 40 EGEB CC(=O)C1=C(Nc2ccccc2)C(=O)C=C(Nc2ccccc2)C1=O 1697615 PQHJHABLFLCYKT-UHFFFAOYSA-N 332.359 3.089 30 40 EGEB Cc1ccc2cc(C#N)c(SCC(=O)Nc3cc(C)on3)nc2c1 4849003 KWROLMXAXSPGSX-UHFFFAOYSA-N 338.392 3.442 30 40 EGEB N#Cc1ccccc1CSCCNC(=O)c1ccc2[nH]cnc2c1 12558838 FIJHURDPPYOPNQ-UHFFFAOYSA-N 336.420 3.098 30 40 EGEB N#Cc1c(Cl)nsc1N1CCC[C@H](c2nnc3ccccn23)C1 44944593 FCJABSLFXAZUIA-JTQLQIEISA-N 344.831 3.095 30 40 EGEB CCC[C@@H]1C(C#N)(C#N)[C@]2(C#N)C(=N)O[C@@]1(C)O[C@H]2c1ccccc1 102676480 SBKVXNYVGBVMGA-BVYOLEPJSA-N 334.379 3.441 30 40 EGEB Cc1cc(C(=O)CSc2ncc(C#N)c(N)n2)c(Cl)cc1F 95414672 YABKLOPPZBKAQS-UHFFFAOYSA-N 336.779 3.006 30 40 EGEB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(Cc1ccc(C#N)cc1)C2=O 3405448 WGAGKZNBLMODGG-DJJJIMSYSA-N 325.412 3.195 30 40 EGEB CCOC(=O)COc1nc(-c2ccccc2)c2c(c1C#N)CCCC2 13691130 PTVSGFXLMBNYKJ-UHFFFAOYSA-N 336.391 3.441 30 40 EGEB N#CC1(NC(=O)CSc2nnc(-c3cccs3)o2)CCCCC1 6462878 PZYDWRUZTIVVKJ-UHFFFAOYSA-N 348.453 3.233 30 40 EGEB O=[N+]([O-])c1ccc(N/N=C/c2c[nH]c3ccccc23)c([N+](=O)[O-])c1 4611257 MUTZZELKZCVYEZ-RQZCQDPDSA-N 325.284 3.430 30 40 EGEB COc1cccc(S(=O)(=O)/N=C(\O)[C@H]2C[C@@H]2c2cccc(C)c2)c1 71892426 FNDWWPXNWPZMKC-SJORKVTESA-N 345.420 3.453 30 40 EGEB CC(C)[C@@H](C#N)N1CCN(C(=O)CC(C)(C)c2ccccc2)CC1 68327945 YLCFVEGLQWLUMO-GOSISDBHSA-N 327.472 3.047 30 40 EGEB CC(C)OCCn1cc(C#N)c(=O)c2cc(Br)ccc21 69619078 YJDCYXFGMULVRD-UHFFFAOYSA-N 335.201 3.061 30 40 EGEB CCCC[C@@H](Oc1ccc(C#N)cc1OC)C(=O)Nc1cc(C)on1 8709096 XMSGCAXOIZKTLV-OAHLLOKOSA-N 343.383 3.440 30 40 EGEB Cc1sc([C@H](C)NCC(=O)NCC#N)nc1-c1ccc(Cl)cc1 97112370 GXZHKWWLXPLBGW-JTQLQIEISA-N 348.859 3.062 30 40 EGEB N#CC1(C(=O)NC[C@H](O)c2c(Cl)cccc2Cl)CCCC1 89768020 FTZUMQMJSIRTSM-LBPRGKRZSA-N 327.211 3.227 30 40 EGEB COc1ccc(CN2C(=O)/C(=N\O)c3ccc(Cl)cc32)cc1OC 46084660 KTSOMNBJRLAOLD-MNDPQUGUSA-N 346.770 3.082 30 40 EGEB COc1cccc(-c2nnc(NCc3cccc(C#N)c3)o2)c1OC 97114577 MWNKDDXOCANIQG-UHFFFAOYSA-N 336.351 3.238 30 40 EGEB COc1ccc(/C=C2/Oc3c(OC)c(OC)cc(OC)c3C2=O)cc1 1562292 JSXRDAWPUVMIFI-NTEUORMPSA-N 342.347 3.337 30 40 EGEB N#Cc1cccc(CN2CCC[C@H](C(=O)N3CCC(F)(F)CC3)C2)c1 2298196410 MYKWGGPQXMYZMB-KRWDZBQOSA-N 347.409 3.028 30 40 EGEB C/C(=N/C(=N)Nc1nc(C)c2ccccc2n1)c1ccccc1C(=O)O 102796218 JHIINGHRYLKZFT-NHDPSOOVSA-N 347.378 3.492 30 40 EGEB C[C@@H]1S/C(=N\c2ccccc2)N(S(=O)(=O)c2ccccc2)C1=O 100842611 XJVYTMOFCZTFCV-ICDILTBESA-N 346.433 3.027 30 40 EGEB COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(F)c(F)c(F)c2)cc1 100819228 WYPYSFRJGXDFKC-GFCCVEGCSA-N 348.280 3.074 30 40 EGEB COc1ccccc1NC(=O)[C@@H](C#N)Cc1ccc(OC)c(OC)c1 419734 SQGDKCRXNBAFDI-CQSZACIVSA-N 340.379 3.033 30 40 EGEB N#CCCN(Cc1ccco1)C(=O)Cc1coc(-c2ccccc2)n1 58202250 PWOZNSKNYAXRPT-UHFFFAOYSA-N 335.363 3.420 30 40 EGEB COC(=O)CC[C@@H]1C(C)=CC(=O)[C@@]2(F)[C@@H]1CCC1=CC(=O)C=C[C@@]12C 104045735 YYGFGDBKJXEDKK-YKCBXCCJSA-N 346.398 3.275 30 40 EGEB CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@@H]1c1cccnc1 4126615 BNHNJHJFNZBBMZ-INIZCTEOSA-N 326.396 3.003 30 40 EGEB COCc1cc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)no1 80161217 HHKLLBWRTWJOMH-GFCCVEGCSA-N 340.166 3.122 30 40 EGEB Cc1ccc(S(=O)(=O)/N=C(\O)[C@H]2CC2(Cl)Cl)cc1Cl 80298545 CDZNHOUDMRNTPL-MRVPVSSYSA-N 342.631 3.487 30 40 EGEB Cc1nn(-c2ccccc2)c(CN(C)CCc2nccs2)c1C#N 91075082 NNABNFNMYMKTDY-UHFFFAOYSA-N 337.452 3.183 30 40 EGEB C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc2nccn2c1 69513974 BNBDHQXDVNTJCF-UHFFFAOYSA-N 336.351 3.071 30 40 EGEB CCC(=O)N1CCC[C@@H](C(=O)[C@@H](C#N)c2nc3ccccc3s2)C1 69655719 XSBAIEZAXSHWMP-CHWSQXEVSA-N 341.436 3.121 30 40 EGEB Cc1cc(F)cc(/C(O)=N/S(=O)(=O)Cc2ccc(Cl)nc2)c1 97010570 WJAXTLPJIBFCIA-UHFFFAOYSA-N 342.779 3.017 30 40 EGEB Cc1cc(O)c(C(=O)/C=C/C=C/c2ccc(N(C)C)cc2)c(=O)o1 8843426 IFQHGOSWCOKDPQ-YDFGWWAZSA-N 325.364 3.172 30 40 EGEB O=C1C(=C2C=CN(CCCN3CCCC3)C=C2)C(=O)c2ccccc21 2024824 LZOCJCIRWBLAFZ-UHFFFAOYSA-N 334.419 3.191 30 40 EGEB Cc1ccc(S(=O)(=O)c2oc(-c3ccc(F)cc3)nc2C#N)cc1 27663332 DBVPJYRDPGEGPZ-UHFFFAOYSA-N 342.351 3.494 30 40 EGEB COc1ccc(C2=NN(C)C(=N)/C2=N/Nc2ccccc2Cl)cc1 3767633 AKSWVYDDAZCSOX-RWGRRXIQSA-N 341.802 3.443 30 40 EGEB CC(C)n1ncc2c(=O)[nH]c(/C=C/C=C/c3ccc(C#N)cc3)nc21 95444744 GMCOTRJDKBYQFZ-GGWOSOGESA-N 331.379 3.299 30 40 EGEB COc1ccc2c(c1)/C(=N/N=C1\C[C@H](c3ccccc3)N=N1)C(=O)N2C 6169449 VFGSCKHICGHOHU-UYPGUFPWSA-N 347.378 3.371 30 40 EGEB CCCN1C(=S)SC(C)(C)[C@@H]1/[N+]([O-])=C/c1ccccc1OC 4785968 YCZWUJYTVGKREK-DZBQEORWSA-N 338.498 3.473 30 40 EGEB CCOC(=O)CCC(=O)[C@@H](C#N)c1nc(-c2ccc(F)cc2)cs1 6935527 DZDXXXUGNBYKLE-CYBMUJFWSA-N 346.383 3.469 30 40 EGEB COc1ccc(CN/C=C/C(=O)c2ccc(OC)c(OC)c2)cc1 409057620 LJQNWTCVYJERND-ZHACJKMWSA-N 327.380 3.199 30 40 EGEB C=CCCO[C@@H](C)C(=O)N(C)[C@H](c1cccc(F)c1)c1cnn(C)c1 72291353 LILVWBLMKDMAHY-KBXCAEBGSA-N 345.418 3.088 30 40 EGEB COC(=O)c1ccc(C)c(/N=C\c2cc3c(cc2OC)OCO3)c1 409104636 GHSOYMHIDVFUGR-OCKHKDLRSA-N 327.336 3.270 30 40 EGEB COc1cc(Cl)c(C)cc1NC(=O)CCNc1ccc(C#N)cn1 96447510 RWZQQQQBSXBCMU-UHFFFAOYSA-N 344.802 3.364 30 40 EGEB N#Cc1ccc(COC(=O)c2cncc(Br)c2)c(F)c1 11150882 MJIVEGIECCRMRD-UHFFFAOYSA-N 335.132 3.212 30 40 EGEB C[C@@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(C#N)cc1 5400500 LZIQNIYQAZTQTM-CYBMUJFWSA-N 347.374 3.152 30 40 EGEB N#Cc1ccc(OCCOC(=O)COc2ccccc2Cl)cc1 10363370 GVQORPNVOPXBLS-UHFFFAOYSA-N 331.755 3.213 30 40 EGEB C=C(C)COc1c(I)cc(C=O)cc1OCC 5592967 DZBSJVAHBFDIRP-UHFFFAOYSA-N 346.164 3.457 30 40 EGEB Cc1cc(C)c(C#N)c(SCCC(=O)NCCc2ccccc2)n1 387185 ZCDZRKUOOHYEQH-UHFFFAOYSA-N 339.464 3.411 30 40 EGEB CN(/C(=N\S(=O)(=O)c1ccccc1)C(F)(F)F)c1ccccc1 100518871 QXSIAMYYYLVOPV-RGEXLXHISA-N 342.342 3.473 30 40 EGEB CC(C)(C#N)c1ccc(NC(=O)N2CCC(N3CC=CC3)CC2)cc1 102316825 UEHVVXDKYRRICQ-UHFFFAOYSA-N 338.455 3.356 30 40 EGEB CCCCCCCCNc1nc(Cl)nc(N2CCOCC2)n1 2314602 NHAYWRPTQABGPH-UHFFFAOYSA-N 327.860 3.134 30 40 EGEB C=CCSc1nnc(NC(=O)COc2ccccc2CC)s1 2629235 DBHGIIOQIGBYLP-UHFFFAOYSA-N 335.454 3.396 30 40 EGEB COc1ccc(CS(=O)(=O)[C@H](C)c2ccc(F)cc2)cc1C#N 95431234 ZLNRTNYPHHZHFN-GFCCVEGCSA-N 333.384 3.382 30 40 EGEB C/N=C1/S/C(=C\c2c(OC)ccc3ccc(OC)cc23)C(=O)N1C 408851046 VAYAPRPYFJVRNE-ABFYXFRKSA-N 342.420 3.389 30 40 EGEB COc1ccc(/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)cc1F 7333732 BXUQFBRVVJFENQ-GORDUTHDSA-N 327.311 3.061 30 40 EGEB C=CCOc1ccc(/C=C/C(=O)Nc2ncc(C(=O)OC)s2)cc1 9503890 IVJAFQZSKPVVFE-RMKNXTFCSA-N 344.392 3.146 30 40 EGEB O=C(C[n+]1cc(-c2ccccc2)n2c1CCC2)Nc1cccc(F)c1 27299945 DEJHVAABGQKBLO-UHFFFAOYSA-O 336.390 3.167 30 40 EGEB CC(C)=CC(=O)NCc1ccc(C(=O)[C@H](C#N)c2ccccn2)cc1 76823977 KNJOZDZUUVQYHD-QGZVFWFLSA-N 333.391 3.154 30 40 EGEB Cc1csc([C@H](C#N)C(=O)c2ccc(OC3CCOCC3)cc2)n1 76763916 OJENVCWXGCXHCL-MRXNPFEDSA-N 342.420 3.499 30 40 EGEB Cc1ccnc(-c2n[nH]c([C@H](C)/N=C(/O)[C@@H](C)C3CCOCC3)n2)c1 330318185 QUESTEWNGQPFNX-STQMWFEESA-N 343.431 3.255 30 40 EGEB CCN([C@H](C)c1cccnc1)S(=O)(=O)c1ccc(Cl)cc1C#N 96428050 RANZEOCIBIHROT-GFCCVEGCSA-N 349.843 3.378 30 40 EGEB N#CC1(c2ccccc2)CCN(S(=O)(=O)c2ccc(F)cc2)CC1 5682057 FUYQVDOFYBWGHL-UHFFFAOYSA-N 344.411 3.072 30 40 EGEB COc1ccccc1C(=O)/C=C1\Nc2ccc(Cl)cc2NC1=O 16228365 BKLPGLOGMCVECU-ZROIWOOFSA-N 328.755 3.479 30 40 EGEB Cc1ccc(-c2cs/c(=N\N=C3\C(=O)Nc4ccccc43)[nH]2)cc1 6300936 IFQSGBUFPMRAER-UHFFFAOYSA-N 334.404 3.309 30 40 EGEB N#C/C(=N\Nc1cccc2ccccc12)c1nnc2n1CCCCC2 5447048 MCVZVEMOWAUZTH-OQKWZONESA-N 330.395 3.497 30 40 EGEB COc1ccc(OC)c(-c2cc(-c3cccnc3)nc(N)c2C#N)c1 20478342 NJMAOFNJCLSNQY-UHFFFAOYSA-N 332.363 3.282 30 40 EGEB C=CCOC[C@@]12CCCO[C@H]1CCN(Cc1ccc(OC)cc1)C2 107751860 WSIXJTYGUKJGEB-PMACEKPBSA-N 331.456 3.269 30 40 EGEB COc1cc(C#N)ccc1OCc1csc(-c2cnn(C)c2)n1 47171214 FUQBCMGSDXARAW-UHFFFAOYSA-N 326.381 3.003 30 40 EGEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCC#Cc1ccccc1 12780116 LKMZWYOQUWZDAW-UHFFFAOYSA-N 329.359 3.032 30 40 EGEB Cc1nc(NC(=O)c2ccc3[nH]cnc3c2)sc1SCC#N 48366980 FEGJJBCKHNGNNZ-UHFFFAOYSA-N 329.410 3.196 30 40 EGEB CCO/C(CC)=N/n1c(CC)nc2c(sc3ncccc32)c1=O 9482584 FVGHEQKRWVXZBD-XDHOZWIPSA-N 330.413 3.177 30 40 EGEB Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1 5336986 MDKLATAXBBRTND-UHFFFAOYSA-N 342.380 3.209 30 40 EGEB C[C@@H](CC(=O)Nc1ccc(Cl)c(C#N)c1)NC(=O)C1CCCC1 84636824 GUNIVXIRTJCLIV-NSHDSACASA-N 333.819 3.235 30 40 EGEB CC[C@@H](Oc1ccccc1C(C)C)C(=O)NC1(C#N)CCOCC1 95441861 FTWRNMQYOXGWHW-MRXNPFEDSA-N 330.428 3.156 30 40 EGEB COc1cc(/C=C/C(=O)Nc2cc(C)nc(C)c2)ccc1OCC#N 95418978 HHMVZFGPQFCKAL-FNORWQNLSA-N 337.379 3.261 30 40 EGEB C#CCOc1ccc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc1 409229807 VGOQZPRRUSUPRA-CPNJWEJPSA-N 346.386 3.100 30 40 EGEB Cc1ccc(C#N)cc1C(=O)NC[C@@H](C)c1nc(-c2ccccc2)no1 1631935860 NZQRHMPQZVRIIW-CQSZACIVSA-N 346.390 3.450 30 40 EGEB C=CCSCC(=O)O[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 78948783 STQMBNDJBCTYRZ-MGPQQGTHSA-N 341.473 3.094 30 40 EGEB CC1=CC[C@H](/C(C)=C/CC/C(C)=C/[C@H]2C(=O)C(C)=C[C@H]2O)OC1=O 77257482 FPIGZCFWUBVDJZ-QLWQKOKCSA-N 330.424 3.427 30 40 EGEB biogenic,in-vitro COc1cc(OC)c(OC)cc1/C=C/C(=O)c1ccc2c(c1)OCO2 5129153 GXEJRHRTNZOHKM-GQCTYLIASA-N 342.347 3.337 30 40 EGEB N#C/C(=N/Nc1ccccc1C(=O)O)C(=O)c1ccc(Cl)cc1 353303 KZDCYXBVASTXDA-ZHZULCJRSA-N 327.727 3.213 30 40 EGEB O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1n[nH]c2ccccc12 22476708 RTXCCAOZUGPVFM-UHFFFAOYSA-N 343.308 3.363 30 40 EGEB N#C[C@H](C(=O)Nc1ccccn1)C(=O)c1cc(Cl)sc1Cl 103717558 IAKNIWSNHVBKQB-QMMMGPOBSA-N 340.191 3.411 30 40 EGEB C=CCOC(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 1703549 FOYQANSMQRDGDZ-UHFFFAOYSA-N 338.429 3.032 30 40 EGEB COc1ccccc1NC(=O)C[n+]1cc(-c2ccccc2)n2c1CCC2 6849259 SJQITGDMHMJMJU-UHFFFAOYSA-O 348.426 3.036 30 40 EGEB COc1cc(C(=O)/C=C/c2ccccc2F)ccc1S(C)(=O)=O 57809957 HLHQZOLZESHAKF-VQHVLOKHSA-N 334.368 3.134 30 40 EGEB C[C@@H]1CN(C(=O)/C=C/c2cn(CCC#N)c3ccccc23)C[C@@H](C)O1 44866187 VEWUTSPDUSQQFH-GUFYHEMZSA-N 337.423 3.204 30 40 EGEB N#Cc1c(COc2ccc(Cl)cc2C(N)=O)cn2ccccc12 11116197 VWNCFSKUUSWICK-UHFFFAOYSA-N 325.755 3.142 30 40 EGEB N#Cc1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)sc2c1CCCC2 2707845 YIGOKRMCEPRFIQ-NEPJUHHUSA-N 332.425 3.328 30 40 EGEB CCOC(=O)/C(Cc1ccccc1)=N\Nc1ccc([N+](=O)[O-])cc1 4765624 JUBOEJUOHIMJKT-MNDPQUGUSA-N 327.340 3.169 30 40 EGEB CN(C(=O)CSc1ccc2c(c1)OCCO2)C1(C#N)CCCCC1 9690671 RNQGGGHHNYDXEC-UHFFFAOYSA-N 346.452 3.235 30 40 EGEB CN(C)[C@@H](CNc1cc(C#N)ccc1C(F)(F)F)c1cnn(C)c1 97163589 DPUORYJFQSQUIK-HNNXBMFYSA-N 337.349 3.025 30 40 EGEB C#Cc1cc(F)c(NC(=O)N[C@H](C)Cc2c(C)noc2C)c(F)c1 95977124 NHCUSJVCKCSTCS-SECBINFHSA-N 333.338 3.304 30 40 EGEB COC(=O)[C@@H](N[C@@H](C)c1cc(C)ccc1OC)c1ccc(C#N)cc1 95960803 XECXVSIQNVDQFG-LIRRHRJNSA-N 338.407 3.440 30 40 EGEB COc1cc2c(cc1OC)/C(=N/Nc1ccc(C)cc1C)C(=O)N2 223736897 RXENBMHXWINPJC-UHFFFAOYSA-N 325.368 3.089 30 40 EGEB Cn1c(=O)oc2c(C(=O)[C@@H](C#N)c3nc4ccccc4s3)cccc21 330031766 CYXMJUOJBVNGMH-LLVKDONJSA-N 349.371 3.231 30 40 EGEB N#Cc1ccc(NCC(=O)N2CC3(CCC3)[C@@H]2c2cccnc2)cc1 585126576 CDDZRRRRAOSZSA-IBGZPJMESA-N 332.407 3.119 30 40 EGEB C=CCCSc1nnc2c(=O)n(-c3ccc(C)cc3C)ccn12 2298100666 QMFKMOWJQLUNGI-UHFFFAOYSA-N 326.425 3.165 30 40 EGEB COC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O 9051885 XQVWQRMRXOICIY-PKSBALPTSA-N 342.322 3.382 30 40 EGEB CC(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 35068 DUISCRIIYHFMHZ-MRXNPFEDSA-N 329.302 3.454 30 40 EGEB CC(=O)N(CCC(=O)[C@@H](C#N)C(=O)c1ccccc1)Cc1ccccc1 100684111 MEQLIODZFTVTDQ-LJQANCHMSA-N 348.402 3.017 30 40 EGEB C=CCNC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1C 10356911 MLFZRRPXNPOLKQ-UHFFFAOYSA-N 344.436 3.020 30 40 EGEB CN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1ccccc1C#N 8167260 HGUTZUKLZUNOSL-QGZVFWFLSA-N 326.421 3.256 30 40 EGEB N#Cc1ccc(C(=O)N(CCCO)Cc2cccc(Cl)c2)cc1 95441458 TWYPHQJDNMUPII-UHFFFAOYSA-N 328.799 3.236 30 40 EGEB N#Cc1ccccc1OCC(=O)NCc1csc(-c2ccccc2)n1 10893796 BFTNPZYYFMULBP-UHFFFAOYSA-N 349.415 3.377 30 40 EGEB COc1ccccc1[C@@H](C#N)NC(=O)Cc1ccccc1OC(F)F 96411227 LAKLWLMSNDTVQU-CQSZACIVSA-N 346.333 3.220 30 40 EGEB N#CCN(Cc1ccccc1)C(=O)c1cccc(Nc2cnccn2)c1 96414308 OWAIQXYLAGNLTG-UHFFFAOYSA-N 343.390 3.386 30 40 EGEB C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[C@]1(C#N)CCSC1 71915474 FWRJUMSLSWFSGI-NHYWBVRUSA-N 342.386 3.399 30 40 EGEB C=CCN1C(=O)N/C(=C/c2ccccc2OCc2ccccc2)C1=O 409139859 BUBMOEWCAGACNU-GHRIWEEISA-N 334.375 3.344 30 40 EGEB COc1cccc(/C=N\c2ccc([N+](=O)[O-])cc2)c1O[C@@H](C)C(=O)O 409238830 NYFWGIWFLUGXEN-TZQXVGBESA-N 344.323 3.206 30 40 EGEB C[C@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2[C@@H](O)C[C@@]3(C)[C@@H](CC[C@]3(C)O)[C@H]12 81973164 SUKMOMANEUHOTO-NPAPBTNPSA-N 332.484 3.486 30 40 EGEB COc1ccc(/C(C)=N/NC(=S)Nc2ccccc2)cc1OC 45921101 KCZRWIAQIBCNNS-XDHOZWIPSA-N 329.425 3.414 30 40 EGEB Cc1csc([C@H](C)CNC(=O)NCc2ccc(C#N)cc2F)n1 96502711 WDTRYWWOCLFKRJ-SNVBAGLBSA-N 332.404 3.065 30 40 EGEB CC[C@H](CC#N)NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 97096179 HLJAJGCWCHEUHL-MRVPVSSYSA-N 341.165 3.171 30 40 EGEB Cc1cccc(C)c1N(C[C@@H](C)N(C)C)C(=O)c1ccc(C#N)cn1 585125303 MWUZTSYJUJKRKM-MRXNPFEDSA-N 336.439 3.167 30 40 EGEB CCCOC1(NC(=O)c2ccc(OC)cc2)C(C)=CC(=O)C=C1C 16807567 GIKKXZMNLVTMDT-UHFFFAOYSA-N 329.396 3.023 30 40 EGEB C/N=C(\NC[C@H]1CC=CCC1)N(C)Cc1csc([C@H](C)OC)n1 156300576 QTDXFPZUEJCWNM-KBPBESRZSA-N 336.505 3.214 30 40 EGEB CCOC(=O)c1sc(NC(=O)c2ccc(OC)cc2)c(C#N)c1C 1965032 OXGKKUXDZQXILT-UHFFFAOYSA-N 344.392 3.366 30 40 EGEB Cc1ccc(C)c(S(=O)(=O)/N=C(\O)c2sc3nccn3c2C)c1 95455057 FBHZMVPJOFFLBX-UHFFFAOYSA-N 349.437 3.015 30 40 EGEB N#Cc1c(F)cccc1NCc1cccc(NC(=O)[C@H]2CCCO2)c1 58406743 BDHSSRJQQUPBEC-GOSISDBHSA-N 339.370 3.427 30 40 EGEB N#C[C@@H](NC(=O)CC1CCSCC1)c1cnn(-c2ccccc2)c1 95416909 PIHKQJJFSLYCNP-QGZVFWFLSA-N 340.452 3.086 30 40 EGEB N#Cc1ccc(NC(=O)CCCNC(=O)c2ccc(Cl)cc2)cc1 6879454 JUASTYQXUMKMJZ-UHFFFAOYSA-N 341.798 3.360 30 40 EGEB C[C@H](CC#N)N(C)S(=O)(=O)c1c(Cl)cccc1C(F)(F)F 72292497 LAXHYUBJHBAURT-MRVPVSSYSA-N 340.754 3.281 30 40 EGEB Cc1cccc(N2CCC(Nc3ccc([N+](=O)[O-])c(C#N)c3)CC2)n1 97144876 TYZXSLLOXKQDCC-UHFFFAOYSA-N 337.383 3.251 30 40 EGEB O=C(Cc1ccc(OC(F)(F)F)cc1)NCC#Cc1ccccc1 48775221 AFPYMDLWKYTAMU-UHFFFAOYSA-N 333.309 3.296 30 40 EGEB C[C@H](CC#N)N(C)C(=O)CSc1cccc(Br)c1 96487542 WAPVATRETXXHMN-SNVBAGLBSA-N 327.247 3.302 30 40 EGEB C/C(=N\NC(=S)Nc1ccccc1)[C@H]1Cc2ccccc2C(=O)O1 13598504 LVWDGRHUAJXZKL-DDLUMYACSA-N 339.420 3.131 30 40 EGEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cccnc1 13635079 KRLGNIDZIXZFTK-SFHVURJKSA-N 346.390 3.449 30 40 EGEB COc1ccc(/C=C/C(=O)c2c(O)cc(OC)c(OC)c2OC)cc1 6404152 FRISOFZUHCOQEC-JXMROGBWSA-N 344.363 3.323 30 40 EGEB biogenic,in-vitro Cc1ccc(C[C@H](C#N)Sc2nc(C)c(CC(N)=O)s2)cc1 40480376 BLNBKELTTWBMTG-CYBMUJFWSA-N 331.466 3.015 30 40 EGEB COC(=O)c1ccc(/C=N/OCc2nc(-c3ccccc3)no2)cc1 32957786 ZNKXMDALEYWOPJ-YBFXNURJSA-N 337.335 3.074 30 40 EGEB C=CCOc1ccc(NC(=O)C(=O)NC[C@@H](C)c2ccccc2)cc1 59477989 AKLXKFRXRGTXER-OAHLLOKOSA-N 338.407 3.110 30 40 EGEB C=CCNC(=O)c1ccc(NC(=O)NCc2ccc(F)cc2)cc1 48149220 ZHCLERLQQNNFHK-UHFFFAOYSA-N 327.359 3.063 30 40 EGEB CC[C@@H]1c2ccsc2CCN1c1ncnc2c1cnn2CCC#N 65542862 XXTSQCXYWOJDSS-CQSZACIVSA-N 338.440 3.315 30 40 EGEB C[C@]12CN(NC(=O)c3ccc(Cl)cc3)[C@]3(C#N)C[C@H]1CC[C@@]23C 100495255 GICLVULQWFFDEX-QCSYZSNVSA-N 329.831 3.389 30 40 EGEB Cc1cc(C)n(Cc2cccc(/C(N)=N/OCc3ccccc3)c2)n1 63510253 GOKIOYUETMUTHQ-UHFFFAOYSA-N 334.423 3.385 30 40 EGEB CC/N=C(/NCCC(F)(F)F)NC[C@@H]1CCO[C@@H]1c1ccccc1 85101870 GQHYFXJPLNYQFM-LSDHHAIUSA-N 343.393 3.272 30 40 EGEB O=S(=O)(/N=C(\O)CCc1ccco1)c1cccc2ncccc12 71803828 RIPMAQDWCCDAGQ-UHFFFAOYSA-N 330.365 3.106 30 40 EGEB C=CCOc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc1OC 408749379 GLRXUIPQQIWQCU-ZDLGFXPLSA-N 328.328 3.009 30 40 EGEB CCCN1C(=O)S/C(=C\c2ccc(OCC#N)c(OC)c2)C1=O 409305592 WBVQBECGAKEGOD-UVTDQMKNSA-N 332.381 3.044 30 40 EGEB COc1ccc(/C=N/N2C(=O)C[C@H]2c2ccccc2)c(OC)c1OC 71283871 NRTMAAZPSDRVNR-SLDJAQPHSA-N 340.379 3.020 30 40 EGEB N#Cc1ccc(C(=O)N2CC[C@H](Oc3ccc4ccccc4n3)C2)cc1 225738853 OAHMUZTYSYAYCI-SFHVURJKSA-N 343.386 3.400 30 40 EGEB Cc1cc(N2CC[C@H](Sc3ccc(C#N)cc3Cl)C2=O)n(C)n1 96484239 HJXWDPNEXSFKMX-AWEZNQCLSA-N 346.843 3.151 30 40 EGEB CC(C)NC(=O)Cc1ccc(NCc2cc(C#N)ccc2F)cc1 96453332 CRAJAXAMOYTQID-UHFFFAOYSA-N 325.387 3.377 30 40 EGEB Cc1cccc(-n2nc(C#N)c(N3CC[C@H](c4ccccc4)C3)n2)c1 256047110 KKKMCFTWTCRRCZ-KRWDZBQOSA-N 329.407 3.441 30 40 EGEB CCOc1ccccc1-n1nc(C#N)c(N(C)C2CCCCC2)n1 256048664 VGRXNZOHYXCSEJ-UHFFFAOYSA-N 325.416 3.307 30 40 EGEB C[C@@H]1CCC[C@H](CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 75104565 OSYBMRCHZIRSOK-PMPSAXMXSA-N 349.475 3.174 30 40 EGEB N#Cc1ccc(CN2CCC(COc3cc(C#N)ccn3)CC2)cc1 1848652099 IMCVJYXUFPEOHI-UHFFFAOYSA-N 332.407 3.116 30 40 EGEB C=CCN1CCC[C@]12CCCN(C(=O)c1ccc(COC)cc1)C2 1613956655 VPNZCHMHKCTKQM-FQEVSTJZSA-N 328.456 3.090 30 40 EGEB C=CCN(CC=C)C(=O)COC(=O)c1oc2ccc(OC)cc2c1C 7737221 BFMJQIYRACWYFE-UHFFFAOYSA-N 343.379 3.107 30 40 EGEB C[C@@](C#N)(NC(=O)CNC(c1ccccc1)c1ccccc1)C1CC1 58160660 ITXGBHQXKMPUCC-NRFANRHFSA-N 333.435 3.174 30 40 EGEB C#CCN1CCC(C(=O)NCc2cc(C)cc3c(C)c(C)[nH]c23)CC1 58330143 FPROWLCCXPFIAG-UHFFFAOYSA-N 337.467 3.055 30 40 EGEB CC(C)(C)N(CC#CCC1(O)c2ccccc2-c2ccccc21)CCO 2289253 IDBLOCCNPRMCDV-UHFFFAOYSA-N 349.474 3.389 30 40 EGEB COC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O 5156846 LEPMFCVSDKRFCO-PKSBALPTSA-N 342.322 3.382 30 40 EGEB C=CCNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 14093844 CKNHCPAKQQWRNI-UHFFFAOYSA-N 339.351 3.071 30 40 EGEB N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C2CCCCC2)CC1 14160605 TYGLYUYRRDNTRD-SFHVURJKSA-N 329.419 3.115 30 40 EGEB COc1ccc(CNC(=S)N/N=C(\C)c2ccc(OC)cc2)cc1 4785203 XYZCCHDQSRNKTP-DEDYPNTBSA-N 343.452 3.092 30 40 EGEB Cc1noc(Cl)c1C/C(O)=N/c1nc(Cc2cccc(F)c2)n[nH]1 97080808 QFAOSJAPAKDSJP-UHFFFAOYSA-N 349.753 3.315 30 40 EGEB C[C@H](Nc1ccncc1NC(=O)c1cccc(C#N)c1)[C@H]1CCCO1 72288609 GYJCOVJODHCIOA-SCLBCKFNSA-N 336.395 3.185 30 40 EGEB CCN(C(=O)Nc1cccc(C#N)c1)[C@@H]1CCN(c2ccccc2)C1=O 72289075 AOLCPYLKZUNBAS-GOSISDBHSA-N 348.406 3.218 30 40 EGEB Cc1nnc(-c2cccc(C#N)c2)n1Cc1cn2ccccc2c1C#N 89736175 WOHBZOOJIJHTDO-UHFFFAOYSA-N 338.374 3.298 30 40 EGEB CCOc1cc(/C=N\O)ccc1OCC(=O)Nc1ccccc1F 409375971 RMVLSMOPSXRHPE-GRSHGNNSSA-N 332.331 3.050 30 40 EGEB C=CCOc1cccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c1 409338356 IIKFLROAKONLSE-QGOAFFKASA-N 334.375 3.344 30 40 EGEB Cc1cccc(N/N=C2\C(=O)N(C3CSC3)c3ccc(F)cc32)c1 223753535 FTQOSZOZQDMZEG-FXBPSFAMSA-N 341.411 3.412 30 40 EGEB N#C[C@@H]1CCC[C@@H](Nc2cccc(OCC(=O)N3CCCC3)c2)C1 193094140 VJJAXONNJDYULS-HZPDHXFCSA-N 327.428 3.182 30 40 EGEB N#Cc1cc(F)cc(NC(=O)N2CC[C@@H](CN3CCCCC3)C2)c1 603074383 JYPIUKUCWLXWHU-AWEZNQCLSA-N 330.407 3.037 30 40 EGEB Cc1nc(C)c(S(=O)(=O)/N=C(\O)Cc2c[nH]c3ccccc23)s1 75092164 FKFGQQXUOFKGQM-UHFFFAOYSA-N 349.437 3.129 30 40 EGEB COc1ccc(-c2nc(C#N)c(NCc3ccco3)o2)cc1OC 5157070 LORUAOVBPXLECY-UHFFFAOYSA-N 325.324 3.436 30 40 EGEB C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C 118923745 AIPVEEYYOOGTAW-ZVWBODITSA-N 332.484 3.486 30 40 EGEB Oc1ccccc1N1CCN(/C(S)=N\Cc2ccccc2)CC1 13637317 LJRJISMAHQCCFU-UHFFFAOYSA-N 327.453 3.000 30 40 EGEB CCCCCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1OC(C)C 5030704 HMFBJAUHRWHSFY-AWEZNQCLSA-N 340.427 3.331 30 40 EGEB N#Cc1ccc(C(=O)N(Cc2cccs2)C[C@@H]2CCCO2)cc1 14018182 NZSIYCGHTAWDEN-INIZCTEOSA-N 326.421 3.441 30 40 EGEB Cc1cc(NC(=O)c2occc2COc2cccc(C#N)c2)n(C)n1 65589853 GSZBJCIQKZABLA-UHFFFAOYSA-N 336.351 3.025 30 40 EGEB Cc1nc(CCCC(=O)N[C@@H](C#N)c2ccc(F)cc2F)cs1 96455633 ZYJLMMPSSMDNCG-HNNXBMFYSA-N 335.379 3.434 30 40 EGEB C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O)[C@H](N1CC1)CC1=CC(=O)CC[C@@]13C 118917941 TVLJGVSJCIAMRD-CZUPSRJTSA-N 329.484 3.173 30 40 EGEB C=CCNC(=O)c1cc(Br)c(OCCC)c(OC)c1 8316863 HZNFWCNQBGHUOK-UHFFFAOYSA-N 328.206 3.162 30 40 EGEB CCCCSc1nnc(C(F)F)n1/N=C/c1cnn(C)c1C 8782501 LIPJSDMQGYMJCT-CAOOACKPSA-N 328.392 3.032 30 40 EGEB CN(CCN(C)/N=C\c1ccc(F)cc1)/N=C\c1ccc(F)cc1 34859914 UWNZCQKEYMUFLY-JZTLMNBPSA-N 330.382 3.196 30 40 EGEB CCOc1cn(-c2ccccc2)nc1C(=O)[C@@H](C#N)c1ccccn1 78411044 BAOUQVMYPSTXQN-HNNXBMFYSA-N 332.363 3.156 30 40 EGEB N#Cc1ccc(S(=O)(=O)Nc2ccc(OC(F)F)cc2F)cc1 330032300 LYUDGTZKZZPMDH-UHFFFAOYSA-N 342.298 3.100 30 40 EGEB CC[C@@](C)(C#N)NC(=O)c1csc(=Nc2cc(F)cc(F)c2)[nH]1 597036636 WCDQLWGHVZUNDE-HNNXBMFYSA-N 336.367 3.009 30 40 EGEB N#Cc1ccsc1NC(=O)COc1ccc(Br)cc1 7796972 SUSLINZATQNRCU-UHFFFAOYSA-N 337.198 3.400 30 40 EGEB Cc1nnc(NCc2cccc(OC[C@@H]3CCCO3)c2)c(C#N)c1C 40555592 DRRPJEPBKFYVBR-KRWDZBQOSA-N 338.411 3.135 30 40 EGEB CCN(CC)CCCNc1oc(-c2ccccc2[N+](=O)[O-])nc1C#N 2413585 WJPGNBHBWFMCKW-UHFFFAOYSA-N 343.387 3.265 30 40 EGEB CC/N=C1/S/C(=C/c2ccc(OCC)c(OC)c2)C(=O)N1CC 27530318 BQUSWPRZNCNLHE-KCWKZLLFSA-N 334.441 3.406 30 40 EGEB O=C(O/N=C/c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1Cl 2744332 CHNWQXQWULBVJG-LZYBPNLTSA-N 349.686 3.347 30 40 EGEB Cn1cc([C@@H]2CC(c3cccc(O)c3)=NN2c2cccc(C#N)c2)cn1 48326428 RHRAYHPGFTYJCJ-FQEVSTJZSA-N 343.390 3.353 30 40 EGEB CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1nnc(C2CC2)n1C1CC1 12931090 CVWUXSCFEZPZMG-APPDUMDISA-N 347.488 3.025 30 40 EGEB CC1=C2[C@H]3OC(=O)[C@@H](CN4CCC[C@@H](C)C4)[C@@H]3CC[C@@]2(C)C=CC1=O 4027314 DOKPHLDPKYIWJE-GFPJEESVSA-N 343.467 3.132 30 40 EGEB biogenic CN(C)S(=O)(=O)c1ccc(C(=O)/C=C/c2cccc(Cl)c2)cc1 5155957 BXCHZZCAJXLQIO-IZZDOVSWSA-N 349.839 3.486 30 40 EGEB CN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccccc1C#N 8168386 CSZKWSUOESGBAC-UHFFFAOYSA-N 326.830 3.094 30 40 EGEB C#CCCC1(CCC(=O)N[C@@H](C)c2cc(C(=O)O)ccc2C)N=N1 1616031310 KMHMCTIBFPONID-ZDUSSCGKSA-N 327.384 3.226 30 40 EGEB CCCCCCCC[C@H](O)[C@@H](O)/C=C\[C@H](O)CCCCC(=O)O 67911367 KFPLVZLISLBBSJ-AJOYBBIHSA-N 330.465 3.021 30 40 EGEB biogenic,in-vitro C=CCOc1ccccc1/C=N/N1C(=O)N[C@](C)(c2ccccc2)C1=O 46426955 ACMAZFBNAMFEGW-DOAWATSRSA-N 349.390 3.053 30 40 EGEB CN(CC(=O)N1CCC[C@@H]1c1ccsc1)Cc1cccc(C#N)c1 52580447 CDUKBJOBOMMUHK-GOSISDBHSA-N 339.464 3.415 30 40 EGEB COc1csc(C(=O)[C@H](C#N)c2nnc(-c3ccccc3)n2C)c1 78975527 FYBFRPVCYIBWSJ-ZDUSSCGKSA-N 338.392 3.042 30 40 EGEB CC(C)Oc1ccc(/C=N/CC[C@@]2(O)C[C@H](C)N(C)C[C@@H]2C)cc1 13774711 CLJGDQRPOPPOBX-CXVIAELPSA-N 332.488 3.374 30 40 EGEB COC(=O)c1ccc(N/N=C/c2coc3ccc(C)cc3c2=O)cc1 19923606 GANYCKFFUUKGRD-KEBDBYFISA-N 336.347 3.334 30 40 EGEB N#CC1(NC(=O)COC(=O)CCc2ccccc2Cl)CCCCC1 22128747 ATCDXXSPRDYCRW-UHFFFAOYSA-N 348.830 3.158 30 40 EGEB CCOc1ccc(-c2nnc(S)n2/N=C/c2ccc(C)o2)cc1 5906646 WVMFKTAFSDFVKG-LICLKQGHSA-N 328.397 3.416 30 40 EGEB COc1ccc(N/C=C(\C(C)=O)C(=O)Nc2ccccc2)cc1OC 100309737 JTLFNCMZLLVERU-FOWTUZBSSA-N 340.379 3.227 30 40 EGEB Cc1csc([C@H](C#N)C(=O)c2ccc3c(c2)NC(=O)CCS3)n1 41520786 RHBMFEZZBOJMIU-LLVKDONJSA-N 343.433 3.376 30 40 EGEB N#Cc1c(N)cc(N)nc1SCc1ccccc1Br 24574374 HRDUSIXNGUZHAI-UHFFFAOYSA-N 335.230 3.172 30 40 EGEB COc1cccc(/C=C2\Oc3cc(OC(C)=O)ccc3C2=O)c1OC 12663011 OTROMGVUMSJIEG-MFOYZWKCSA-N 340.331 3.245 30 40 EGEB biogenic Cc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(-c3ccccc3C)c2)c1 3373561 NIBPMOJMLCBPMJ-UHFFFAOYSA-N 344.370 3.263 30 40 EGEB Cc1nc(S[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)oc1C 95994653 JONLUONRCKZFPS-OAHLLOKOSA-N 327.409 3.451 30 40 EGEB COc1cccc(/C=N/c2ccc(N3CCOCC3)cc2)c1OC 4663679 MGVFWIZLIXVORQ-XSFVSMFZSA-N 326.396 3.291 30 40 EGEB Cn1c(N/N=C/c2ccc(F)cc2)nc2sc3c(c2c1=O)CCC3 4676306 SGRFWKNTVWEFTN-DJKKODMXSA-N 342.399 3.069 30 40 EGEB N#Cc1c(-c2cccc(O)c2)cc(-c2ccc(C(=O)O)cc2)nc1N 71750737 HTSRIGGATUKMGP-UHFFFAOYSA-N 331.331 3.273 30 40 EGEB C[C@@H]1CN(C(=O)NCC#Cc2ccccc2)C[C@H](c2ccccc2)O1 67591314 FFSWFECADFKSLP-YLJYHZDGSA-N 334.419 3.210 30 40 EGEB N#C[C@@H](NC(=O)c1cnc(-c2ccccc2)nc1)c1ccccc1F 71889063 ICAFOVAXTYTHFF-QGZVFWFLSA-N 332.338 3.277 30 40 EGEB C[C@@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1ccccc1C#N 7848499 AFKUWWWSDMLEDH-CQSZACIVSA-N 348.406 3.124 30 40 EGEB Cc1nc(C(=O)N2CCC[C@@H](n3ccnc3C(C)C)C2)ccc1C#N 69946966 VVSGEEJROUKCHZ-MRXNPFEDSA-N 337.427 3.059 30 40 EGEB CCOc1ccc([C@@H]2[C@@H](C#N)C(=O)Nc3nc4ccccc4n32)cc1 20637388 JBMAANWKNVCDBM-RHSMWYFYSA-N 332.363 3.116 30 40 EGEB CCCCCCCNC(=O)C(=O)Nc1ccccc1Br 408707943 TVHFJZHSBXQGAL-UHFFFAOYSA-N 341.249 3.474 30 40 EGEB CC(C)S(=O)(=O)Cc1cccc(NCc2ccccc2C#N)c1 79027668 LBKPTTFERMEUIX-UHFFFAOYSA-N 328.437 3.494 30 40 EGEB CCS[C@H]1CCC[C@@H](NS(=O)(=O)Cc2cccc(C#N)c2)C1 96452721 XFFWSLKVFKACCJ-CVEARBPZSA-N 338.498 3.042 30 40 EGEB CC(C)[C@@H](NC(=O)NCc1cc(C#N)ccc1F)c1ccccn1 96440635 ZXFMQQMMJDPTCF-QGZVFWFLSA-N 326.375 3.289 30 40 EGEB Cc1ccccc1NC1(CNS(=O)(=O)CCCCC#N)CCCC1 585115274 UFNIPHAWHFCNHW-UHFFFAOYSA-N 349.500 3.333 30 40 EGEB C=C(C)CSc1nnc(N2CCC(C)CC2)n1C[C@H]1CCCO1 54809851 VBPOUCCUFTXMQC-OAHLLOKOSA-N 336.505 3.362 30 40 EGEB Cc1nc(C)c(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)o1 73584733 HYUNHRRNBJHIHE-UHFFFAOYSA-N 339.395 3.283 30 40 EGEB Cc1ccc([C@H]2c3c(nn(-c4ccccc4)c3O)NC(=O)[C@H]2C#N)cc1 14163213 BOVRLWMVSYKCBX-JKSUJKDBSA-N 344.374 3.110 30 40 EGEB Cc1cc(C)n(C[C@@H](O)CON=C2c3ccccc3-c3ccccc32)n1 2700755 WSQCTKNNHMKFGF-MRXNPFEDSA-N 347.418 3.310 30 40 EGEB N#Cc1c(N)nc2c(c1N)[C@H](c1ccc(F)cc1)c1ccc(O)cc1O2 22145695 DDHNWCFGUWXVKP-OAHLLOKOSA-N 348.337 3.248 30 40 EGEB Cc1ccccc1CN1CCCN(C(=O)C2(C#N)CCCC2)CC1 27388914 SIJVYWGIWOSFGP-UHFFFAOYSA-N 325.456 3.113 30 40 EGEB CC[C@@H](NCc1cc(C#N)n(C)c1C)c1ccc2c(c1)OCCO2 44979427 CVVWZACXESBMLP-QGZVFWFLSA-N 325.412 3.217 30 40 EGEB CCn1c(=O)c(/C=N/c2ccc(OC)c(O)c2)c(O)c2ccccc21 103461950 VAGNBTCYKAPZQB-RGVLZGJSSA-N 338.363 3.192 30 40 EGEB C[S@](=O)CCC(=O)Nc1ccc(Oc2cccc(F)c2C#N)cc1 95978551 ZDZVEDAYHJCYJU-XMMPIXPASA-N 346.383 3.197 30 40 EGEB Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Nc1nn(C(C)C)cc1C#N 95984870 FMLCUWGHEDKKGZ-AWEZNQCLSA-N 341.419 3.045 30 40 EGEB COc1ccccc1N1CC[C@H](C/N=C(/N)Nc2ccc(C)cc2)C1 69893532 IFUMDDAUHAUHME-MRXNPFEDSA-N 338.455 3.257 30 40 EGEB N#Cc1ccc(N(CCO)Cc2csc(-c3ccco3)n2)cc1 95451561 CMXQLPNSKMQCHE-UHFFFAOYSA-N 325.393 3.274 30 40 EGEB COc1ccc(CN/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1OC 20195972 ZZSRIFMMPATYQU-VXLYETTFSA-N 349.774 3.389 30 40 EGEB Cc1ccc(S(=O)(=O)[C@H]2[C@H](C=O)[C@@H]2c2cccc(Cl)c2)cc1 218633020 KDSOTXVWVURBCP-IKGGRYGDSA-N 334.824 3.403 30 40 EGEB N#Cc1cc(NC(=O)[C@@H]2CCCCN2Cc2cccnc2)ccc1F 79355202 JFXDWKLEULDWEJ-SFHVURJKSA-N 338.386 3.086 30 40 EGEB Cc1ccc(OCCN2C(=O)CS/C2=C/C(=O)C(C)(C)C)cc1 97664768 OQUFJPZIKXRCMP-GZTJUZNOSA-N 333.453 3.406 30 40 EGEB N#Cc1ccc(N(Cc2ccccc2)Cc2cccc(C(N)=O)c2)nc1 75146963 ACGQVYCRVHNOQJ-UHFFFAOYSA-N 342.402 3.259 30 40 EGEB CCc1oc(C(=O)N[C@@H](C#N)c2cnn(-c3ccccc3)c2)cc1C 95415227 QIATWYRYFAUTNG-INIZCTEOSA-N 334.379 3.331 30 40 EGEB CCOc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1O 5463940 PSQDZKRTYMXWEW-CXUHLZMHSA-N 346.299 3.053 30 40 EGEB CCOC(=O)c1c(C)c2c(n1C)CC/C(=C/N1CCCCC1)C2=O 1725246 QJYFSIQHGXZCEL-OWBHPGMISA-N 330.428 3.009 30 40 EGEB CN1C(=O)/C(=C\c2ccc(C(=O)O)cc2)S/C1=N\c1ccccn1 5520368 WJOGJDXQOVAONM-DFQGMUSMSA-N 339.376 3.014 30 40 EGEB N#Cc1cn(C(=O)c2cncc(Br)c2)c2ccccc12 226362036 MCOPEUWGOHXEOZ-UHFFFAOYSA-N 326.153 3.359 30 40 EGEB C#Cc1cccc(NCCN2c3cccc4cccc(c34)S2(=O)=O)c1 40057093 VAGXHFVHLXUTCV-UHFFFAOYSA-N 348.427 3.442 30 40 EGEB CCCc1nc(CSc2nc(C)c(C(=O)OCC)cc2C#N)no1 58142272 LVZCGVAEMDAMJA-UHFFFAOYSA-N 346.412 3.066 30 40 EGEB CN/C(S)=N/N=C\c1ccc(OCCc2ccccc2)c(OC)c1 4749632 OBBSMLPAUPZWQP-MOSHPQCFSA-N 343.452 3.156 30 40 EGEB C[C@H](NCc1cccc(C#N)c1)c1ccc(N2CCN(C)CC2)cc1 71825375 ARKWIVUFJPGAKV-KRWDZBQOSA-N 334.467 3.161 30 40 EGEB N#CC1(NC(=O)COc2ccccc2C(F)(F)F)CCCCC1 8923430 YWUKLOHNNHHNST-UHFFFAOYSA-N 326.318 3.427 30 40 EGEB Cc1ccc2nc(NCCNC(=O)c3ccccc3F)c(C#N)cc2c1 35289211 MNXWNXLLAWGQNJ-UHFFFAOYSA-N 348.381 3.396 30 40 EGEB C=CCOc1ccc(C(=O)N[C@@H](C)COc2ccc(OC)cc2)cc1 219639488 RFJJHHFRIAWLAM-HNNXBMFYSA-N 341.407 3.457 30 40 EGEB N#Cc1cccc(OCc2cccc(C(=O)NCc3cccnc3)c2)c1 79355863 YDWVDHQRFRQSBN-UHFFFAOYSA-N 343.386 3.462 30 40 EGEB C#Cc1cccc(N(Cc2ccncc2)C(=O)c2cncc(F)c2)c1 193550090 ROAWZLRVAIGPKM-UHFFFAOYSA-N 331.350 3.444 30 40 EGEB Cc1noc([C@@H]2CCN(c3cccc(Br)c3C#N)C2)n1 583734210 PMFZPEUCCUIGAT-SNVBAGLBSA-N 333.189 3.006 30 40 EGEB C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(F)c(C(N)=O)c1 56604068 NFMBUGPFGSNYFT-UHFFFAOYSA-N 345.349 3.284 30 40 EGEB CC[C@]12OC(=N)[C@](C#N)([C@H]1C)C(C#N)(C#N)[C@H](c1ccc(C)cc1)O2 5076612 PSEFZTALOJAXRE-UVDFWXMISA-N 334.379 3.360 30 40 EGEB COC(=O)Cn1/c(=N\N=C/c2ccc(C)cc2)sc2ccccc21 5615224 OOFDZNIJQXUNBK-JFDHCAAHSA-N 339.420 3.119 30 40 EGEB CC(=O)N[C@@H](CC(=O)Nc1ccc(CC#N)cc1)c1cccs1 14527651 SMQAQECNPNAGLN-HNNXBMFYSA-N 327.409 3.020 30 40 EGEB CNC(=O)c1ccc(/C=C/C(=O)[C@@H](C#N)c2nc3ccccc3o2)cc1 54736175 ZWFWVOIKTJLJAV-KUCQQTCKSA-N 345.358 3.077 30 40 EGEB Cc1nccn1-c1ccccc1CNC(=O)Nc1ccc(C#N)cc1 58005812 BHNVQYVCERTSHC-UHFFFAOYSA-N 331.379 3.374 30 40 EGEB Cc1cccnc1NC(=O)[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 58314094 VMFGMJOKSIOIFY-OAHLLOKOSA-N 338.386 3.256 30 40 EGEB COCCNc1nc(SC)nc(-c2ccc(Cl)cc2)c1C#N 19820524 DTYZFKTZFNEKMV-UHFFFAOYSA-N 334.832 3.449 30 40 EGEB CN(CC(=O)NC1(C#N)CCCC1)[C@@H](c1ccccc1)C(F)(F)F 70015360 SRIANNSVAQFLLR-HNNXBMFYSA-N 339.361 3.174 30 40 EGEB CC[C@@H](C)Oc1ccccc1C=Nn1c(O)nc2ccccc2c1=O 409364001 VGLGISZWRCEVOA-CYBMUJFWSA-N 337.379 3.162 30 40 EGEB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NC1(C#N)CCSCC1 535950724 ZJKLZNPDAPYJOC-OWCLPIDISA-N 338.517 3.369 30 40 EGEB O=C(/C=C/c1ccc2c(c1)OCCCO2)c1cc([N+](=O)[O-])ccc1O 49574141 SOHOUCQTTMZWJA-GORDUTHDSA-N 341.319 3.358 30 40 EGEB N#C[C@@H]1CCC[C@H](Nc2cccc(OCC(=O)N3CCCC3)c2)C1 193094155 VJJAXONNJDYULS-CVEARBPZSA-N 327.428 3.182 30 40 EGEB C=CCSc1nnc(NC(=O)/C=C/c2ccc3c(c2)OCO3)s1 16008437 IWCPUVGWARVDOU-GQCTYLIASA-N 347.421 3.197 30 40 EGEB CC(C)CCN1C(=O)/C(=N\c2ccc3[nH]c(=O)[nH]c3c2)c2ccccc21 101828287 OGDMJROUNMSZBR-UZYVYHOESA-N 348.406 3.370 30 40 EGEB N#Cc1ccc(-c2ccc(OC[C@H](O)CN3CCCCC3)cc2)cc1 380604 NEIURDCIMIBDQF-HXUWFJFHSA-N 336.435 3.451 30 40 EGEB COC(=O)[C@H]1C(O)=C(/C(C)=N/c2ccccc2O)C(=O)CC1(C)C 103915583 QXJHHIUAUNEMIL-GDXCHIGESA-N 331.368 3.085 30 40 EGEB O=C1C(Cl)=C(n2c(=O)oc3ccccc32)C(=O)c2ccccc21 1572906 YEIWSIXGLNJLPD-UHFFFAOYSA-N 325.707 3.081 30 40 EGEB N#Cc1ccccc1S(=O)(=O)N1CCC(Cc2ccccc2)CC1 7308702 BFJDYHQLIPWRRC-UHFFFAOYSA-N 340.448 3.202 30 40 EGEB CC[C@H](NCc1cc(C#N)n(C)c1C)c1ccc2c(c1)OCCO2 44979424 CVVWZACXESBMLP-KRWDZBQOSA-N 325.412 3.217 30 40 EGEB CC(C)(C)/C(O)=N/S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 58367923 YWBWSTPBJHBLJO-UHFFFAOYSA-N 334.319 3.268 30 40 EGEB C=CCOc1ccc(CNC[C@@H](O)c2ccccc2)cc1OCC 22075894 DYWAXIKWPJXWNH-GOSISDBHSA-N 327.424 3.473 30 40 EGEB C#Cc1cccc(NC(=O)N2CCC[C@@H]2c2nnc3n2CCCCC3)c1 65591664 WAQSWNHYAXXJIW-QGZVFWFLSA-N 349.438 3.355 30 40 EGEB CCOc1cc(C#N)ccc1OCC(=O)c1ccc(OC)c(OC)c1 6540466 GJNGUZFLMFSYIB-UHFFFAOYSA-N 341.363 3.236 30 40 EGEB N#Cc1ccc(NC(=O)NCCc2ccccn2)cc1C(F)(F)F 76070699 KROYBLLUMZBIKE-UHFFFAOYSA-N 334.301 3.336 30 40 EGEB N#Cc1cccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)c1 35670965 IKXRROMCJNUTNQ-UHFFFAOYSA-N 326.299 3.378 30 40 EGEB C=CCO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1ccc(F)c(Cl)c1 96041546 GCQLGWPLMNPDTN-ARFHVFGLSA-N 339.794 3.054 30 40 EGEB Cc1c(C#N)c(NC(=O)CSC[C@@H]2CCCCO2)n2ccccc12 585124913 ZWMJPAWRNJDSFD-AWEZNQCLSA-N 343.452 3.360 30 40 EGEB Cc1cc(C)nc([C@H](C#N)C(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)n1 245343983 WTJDQNMJDFJAAR-JHJVBQTASA-N 327.334 3.352 30 40 EGEB CC(=O)N1CCc2c(sc(NC(=O)c3ccc(C)cc3)c2C#N)C1 4275171 MGYRZKCYAGODKE-UHFFFAOYSA-N 339.420 3.085 30 40 EGEB C/C(O)=C1\C(=O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1F 102623791 PYHMPACXQITRJK-KMPOOHAWSA-N 329.302 3.454 30 40 EGEB CC1(C)CN(CC2=CC(=O)n3c(nc4ccccc43)[C@H]2C#N)C1(C)C 79475118 WONPXOIIGSBEGE-AWEZNQCLSA-N 334.423 3.344 30 40 EGEB N=C1N=C(c2ccccc2)/C(=N/Nc2ccc([N+](=O)[O-])cc2)S1 108420346 PSVVKYMGFQGGBB-YFWLICNRSA-N 325.353 3.491 30 40 EGEB Cc1ccccc1NC(=O)C[n+]1cc(-c2ccccc2)n2c1CCC2 13770313 PYNQXYIIMXDUPR-UHFFFAOYSA-O 332.427 3.336 30 40 EGEB N#C[C@@H](NC(=O)COCC(F)(F)F)c1cccc(Cl)c1Cl 66393801 AMBCVRMOPCHJIR-SECBINFHSA-N 341.116 3.253 30 40 EGEB COc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc(C#N)cc2)cc1F 8193518 UCXAQIIYTZRSIC-CYBMUJFWSA-N 341.386 3.165 30 40 EGEB C[C@@H](Sc1ncn(-c2ccccc2)n1)C(=O)Nc1ccc(C#N)cc1 8748434 AMMGCONSYFXHME-CYBMUJFWSA-N 349.419 3.258 30 40 EGEB C[C@H]1CC[C@]23OC(=N)[C@](C#N)([C@@H]2C1)C(C#N)(C#N)[C@H](c1ccccc1)O3 6853371 GHTRPRHOWLFKPL-TXDMSJPOSA-N 346.390 3.441 30 40 EGEB C#CCNC(=O)[C@@H]1Cc2cn(CC=C)c3cccc(c23)[C@H](CC(C)C)N1 49171875 HQENCHSGLICHFN-OALUTQOASA-N 349.478 3.178 30 40 EGEB biogenic,in-vitro C=C(C)C[C@H](C)C(=O)Nc1ccc(C(=O)OC)cc1OCCOC 585129038 VQDPHWWCIVTACT-ZDUSSCGKSA-N 335.400 3.039 30 40 EGEB N#Cc1cnc(N2CCN(c3nc4ccccc4o3)CC2)c(Cl)c1 170982018 MWYQKEHZEJMSIZ-UHFFFAOYSA-N 339.786 3.074 30 40 EGEB CCOC(=O)C1=C2CCCC[C@H]2[C@H](c2ccccc2)C(C#N)(C#N)C1=O 507107 REIBZBDQMVFGEB-AEFFLSMTSA-N 348.402 3.436 30 40 EGEB CCc1nc2ccccc2n1C[C@H](O)COc1ccc(CC#N)cc1 12506057 OWPJYYILIFFXFN-INIZCTEOSA-N 335.407 3.105 30 40 EGEB O=C(Cc1ccccc1)NC/C=N/OC(=O)Nc1cccc(Cl)c1 6529336 BKNOLUSLDSMKMG-KEBDBYFISA-N 345.786 3.233 30 40 EGEB CCCCCCCc1ccc(C(=O)NCCN2CCOCC2)cc1 100968935 HLPAFPVEXGODGT-UHFFFAOYSA-N 332.488 3.262 30 40 EGEB N#Cc1ccccc1CSCCNC(=O)Cc1cccc(F)c1 21933225 VSQNQZVJJILYCK-UHFFFAOYSA-N 328.412 3.289 30 40 EGEB CCOc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])c1O 36207464 CTWHMTOIXXWCIR-CXUHLZMHSA-N 346.299 3.053 30 40 EGEB CC(C)[C@H](NC(=O)Nc1cccc(C#N)c1)c1nnc2ccccn12 65552318 WRNIRNCBKFDZKI-INIZCTEOSA-N 334.383 3.120 30 40 EGEB CC[C@@H](C)n1nccc1NC(=O)[C@@H](C)N(C)Cc1cccc(C#N)c1 65590552 XKDHQIHYQHXENK-HUUCEWRRSA-N 339.443 3.185 30 40 EGEB Cc1c(NCc2cccc(Cn3cncn3)c2)cc(C#N)cc1[N+](=O)[O-] 65624190 QUIAWLNMXHEISF-UHFFFAOYSA-N 348.366 3.027 30 40 EGEB CC(C)Oc1ccc(C#N)cc1NC(=O)CC1(C(=O)O)CCCC1 67456267 VAFBUWJVAMVTKB-UHFFFAOYSA-N 330.384 3.319 30 40 EGEB COc1ccc(/C=C/C(=O)N(CCC#N)Cc2ccco2)c(OC)c1 69347992 AQOBYVGUKZSHJZ-VQHVLOKHSA-N 340.379 3.252 30 40 EGEB CCOc1ccc(C(=O)Nc2cccc(F)c2C#N)cc1[N+](=O)[O-] 72275279 XNEQLKWAYZTDIN-UHFFFAOYSA-N 329.287 3.257 30 40 EGEB C[C@H](NC(=O)CNc1ccc(C#N)cc1)c1cccc(-n2cccn2)c1 74036715 OZFIPWQKUOQVQU-HNNXBMFYSA-N 345.406 3.033 30 40 EGEB Cc1cc(N2CCCC2)ccc1/C=N/Nc1ccc([N+](=O)[O-])cn1 408961329 ROWYIAPLYBNKAX-YBFXNURJSA-N 325.372 3.344 30 40 EGEB CC(C)OCc1cccc(S(=O)(=O)Nc2cccc(C#N)c2)c1 72265400 AKXDQNIDRFUMCM-UHFFFAOYSA-N 330.409 3.284 30 40 EGEB CCc1ccccc1N=C[C@H]1C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 408534490 MEDTUAZJZMHKAK-INIZCTEOSA-N 349.390 3.159 30 40 EGEB O=C(O)c1ccccc1C/C(O)=N/c1nc(-c2cccs2)n[nH]1 71286128 MIJPSEOMJUDVJZ-UHFFFAOYSA-N 328.353 3.062 30 40 EGEB C=CCOc1cccc(NS(=O)(=O)Cc2cccc(C#N)c2)c1 96492894 YBKQOGMXNYPXBG-UHFFFAOYSA-N 328.393 3.065 30 40 EGEB N#Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCCO[C@@H]1c1ccccc1 299226143 JCCOTOPBSHPPFN-WMLDXEAASA-N 338.367 3.441 30 40 EGEB CS(=O)(=O)Nc1ccccc1CNc1ccc(C#N)c(Cl)c1 72275495 AINYJCDOSMSDFW-UHFFFAOYSA-N 335.816 3.195 30 40 EGEB N#Cc1ccc(CN2CCN(C(=O)c3ccc(Cl)s3)CC2)cc1 23437498 OXFQQJXCNPNXDG-UHFFFAOYSA-N 345.855 3.231 30 40 EGEB COc1ccc2cc(C#N)c(SCC(=O)NC(C)(C)C)nc2c1 1354672 NDHITYOTDOADQX-UHFFFAOYSA-N 329.425 3.122 30 40 EGEB COc1ccc(CCC(=O)OCc2cccc(C#N)c2)cc1OC 7203993 ACMOLLJPGRXOIY-UHFFFAOYSA-N 325.364 3.251 30 40 EGEB O=C1c2ccccc2N[C@@H](c2c(F)c(F)c(F)c(F)c2F)N1O 4244701 PEPFANHCDNJQAE-CYBMUJFWSA-N 330.212 3.338 30 40 EGEB C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(Cc2ccc(C#N)cc2)C1=O 6108343 XHWGDKGZGVFAIW-OAQYLSRUSA-N 345.402 3.014 30 40 EGEB COC(=O)/C=C1/S/C(=N\c2ccccc2)N(Cc2ccco2)C1=O 4682460 CVARNWQFYPWEKQ-IBZGOXDYSA-N 342.376 3.100 30 40 EGEB O=S1(=O)CC/C(=N\Nc2cccc(Cl)c2)c2ccsc21 5671154 AATSOLCMGCURRU-FOWTUZBSSA-N 326.830 3.395 30 40 EGEB C=CCOc1ccccc1CNC(=O)NCc1nc(C)c(C)s1 96440068 AXYLGPYBADAROX-UHFFFAOYSA-N 331.441 3.324 30 40 EGEB COc1ccc(C(=O)/C=C/c2cc(OC)c(O)c(OC)c2)cc1F 7336064 PEHQUIWCKWGWGW-GQCTYLIASA-N 332.327 3.453 30 40 EGEB COc1ccc(/C=C/C(=O)c2ccc(OCC(=O)O)cc2)cc1OC 8321912 VAFJMQJNQNUXGV-YCRREMRBSA-N 342.347 3.063 30 40 EGEB CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)CC#N 97096721 AAOGSURTZDFFCN-UHFFFAOYSA-N 336.420 3.473 30 40 EGEB C=CCc1cc(C(=O)N[C@H](C)c2ncc(C)o2)cc(OC)c1OC 95466444 FERMMWHFPFDLBF-GFCCVEGCSA-N 330.384 3.220 30 40 EGEB COc1ccc(CN/N=C(\C)c2ccc(OC)c(OC)c2)cc1OC 216056144 CNQKROQVHXXGMF-FYJGNVAPSA-N 344.411 3.235 30 40 EGEB COc1cc(/C(C)=N/Nc2ccccc2[N+](=O)[O-])cc(OC)c1OC 5020379 NMSOCYMOIIPKGN-WOJGMQOQSA-N 345.355 3.457 30 40 EGEB Cc1ccc(NC(=O)COC(=O)c2ccc(C#N)cc2)c(Cl)c1 5507203 WJDNCKSJKTWOIZ-UHFFFAOYSA-N 328.755 3.316 30 40 EGEB CN(C)c1ccc([C@H]2CCCN2c2c(F)cc(C#N)cc2F)nn1 591613146 KPTDNFXZFROJFK-OAHLLOKOSA-N 329.354 3.034 30 40 EGEB O=C1C[N+]2(CCCC2)C[C@H](Cn2c3ccccc3c3ccccc32)O1 211070271 RZVUGCXWIPSRKH-INIZCTEOSA-N 335.427 3.331 30 40 EGEB CC(C)c1nccn1CC1CN(c2nc3c(cc2C#N)CCCC3)C1 2298182293 IUDHUGVVEZJBFK-UHFFFAOYSA-N 335.455 3.288 30 40 EGEB CCOc1ccc(-n2c(N)c(C#N)c3nc4ccccc4nc32)cc1 143608 PYWRCSFSIPRRSJ-UHFFFAOYSA-N 329.363 3.426 30 40 EGEB COc1ccc2nc(SCC(=O)NC3CCCC3)c(C#N)cc2c1 411051 FPPRUGHWXWPSDT-UHFFFAOYSA-N 341.436 3.266 30 40 EGEB CC(=O)Nc1ccccc1SCC(=O)Nc1ccc(C#N)cc1 6296162 IJPSCSGULRZHGK-UHFFFAOYSA-N 325.393 3.247 30 40 EGEB C=CCO[C@@H]1CCN2C(=O)c3cc(-c4ccccc4)ccc3NC(=O)[C@H]12 8297147 WQRNHCHCYRSATE-MOPGFXCFSA-N 348.402 3.091 30 40 EGEB biogenic,in-vitro N#Cc1ccc(F)c(CN2CCC(NC(=O)C3CCCCC3)CC2)c1 58267477 PYQKLOAUAWXSCU-UHFFFAOYSA-N 343.446 3.358 30 40 EGEB N#Cc1ccc(CN2CCC3(CC2)CC(Nc2ncccn2)C3)cc1 108525888 CUTQOTOQDHVLKJ-UHFFFAOYSA-N 333.439 3.205 30 40 EGEB CCC[C@@H]1CC(=O)C2=C(C1)Nc1nnnn1[C@H]2c1ccc(Cl)cc1 6558852 PEBWERFCBZPHEM-QFYYESIMSA-N 343.818 3.375 30 40 EGEB CCSc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)SC2 19802681 ROCZZHNXACEJRE-UHFFFAOYSA-N 349.525 3.470 30 40 EGEB Cc1sc(NC(=O)Cn2ccc(C(F)(F)F)n2)c(C#N)c1C 69260194 WDPHRIWRCPCTSK-UHFFFAOYSA-N 328.319 3.091 30 40 EGEB N#Cc1ccsc1C(=O)N(CCc1ccccc1)[C@H]1CCOC1 84528716 FEFFFRJHWVJTKX-INIZCTEOSA-N 326.421 3.094 30 40 EGEB Cc1ccc(C(=O)N2CCOCC2)cc1NCc1cc(C#N)cs1 95429242 PSSOHOAGAYDOPJ-UHFFFAOYSA-N 341.436 3.013 30 40 EGEB O=[N+]([O-])c1ccc(OCN/N=C/c2ccc3ccccc3c2O)cc1 408564352 ZBBYCIKVLAYYDU-YBFXNURJSA-N 337.335 3.414 30 40 EGEB Cc1nc(NC(=O)c2cc(CC(C)C)n[nH]2)sc1SCC#N 69527739 FWJZEYHBMOGBMJ-UHFFFAOYSA-N 335.458 3.241 30 40 EGEB C=CCn1c(SCCCC(=O)OCC)nc2ccccc2c1=O 36644105 MBUBZCYAPOTVAW-UHFFFAOYSA-N 332.425 3.018 30 40 EGEB C[C@@H](CC#N)N(C)C(=O)Nc1ccc(CCN2CCCCC2)cc1 86283762 OKLAKQAFAGRKAN-INIZCTEOSA-N 328.460 3.481 30 40 EGEB C[C@@H]1CC(=O)C2=C(C1)Nc1nonc1N[C@@H]2c1ccc2ncccc2c1 12324835 POWUMKGEISIKOE-DYZYQPBXSA-N 347.378 3.450 30 40 EGEB C=CCn1c(=O)c(C(=O)Nc2ccccc2C#N)c(O)c2ccccc21 100671541 BPJANAVGRHSHEF-UHFFFAOYSA-N 345.358 3.017 30 40 EGEB CC(C)(C#N)CCCNc1ccccc1C(=O)N1CCC[C@@H]1CO 95417990 RXXLSVYYRLXRMF-OAHLLOKOSA-N 329.444 3.025 30 40 EGEB C=CCOc1ccc(/C=C/c2ncc(C(=O)NC)s2)cc1OC 58175747 LWXQOPGCGPOAPG-SOFGYWHQSA-N 330.409 3.247 30 40 EGEB N#CCCCN1C(=O)[C@@](O)(c2c[nH]c3ccccc23)c2ccccc21 2235661 OZBGTKMCBITQRB-FQEVSTJZSA-N 331.375 3.054 30 40 EGEB N#Cc1cccc(C(=O)c2ccc(I)cc2)c1 2392634 FQUSAVVYLNHLHZ-UHFFFAOYSA-N 333.128 3.394 30 40 EGEB Cc1cc(Cl)ccc1OCCCC(=O)Nc1c(C#N)cnn1C 13024298 WQXKWXNVOLQPAE-UHFFFAOYSA-N 332.791 3.051 30 40 EGEB C=C(C)CN(CC)C(=O)CSc1nc2ccc(OCC)cc2[nH]1 5667697 DTFSSIINTGDSRF-UHFFFAOYSA-N 333.457 3.478 30 40 EGEB COc1cc(OC)c2c(N)c(C#N)c(C(F)(F)C(F)(F)F)nc2c1 4900866 VTLRJVJJWPDFOR-UHFFFAOYSA-N 347.243 3.360 30 40 EGEB Cc1nc2ccc(NS(=O)(=O)c3ccc(C#N)cc3)cc2s1 7505266 SLXLNKOWOLADEQ-UHFFFAOYSA-N 329.406 3.277 30 40 EGEB CCn1cnnc1[C@@H]1CCCN(c2c(C#N)cnc3ccccc23)C1 91627375 GYHFECNHGMFPLA-CQSZACIVSA-N 332.411 3.102 30 40 EGEB CN(C(=O)c1ccco1)c1ccccc1C(=O)[C@H](C#N)c1ccccn1 78715036 KFBBNNOWNXSOCG-OAHLLOKOSA-N 345.358 3.441 30 40 EGEB CSC[C@H](NS(=O)(=O)Cc1cccc(C#N)c1)c1ccccc1 76304084 VJHIZRAKWMRKAI-KRWDZBQOSA-N 346.477 3.082 30 40 EGEB CN(C)C(=O)Cc1ccc(NCCCOc2ccc(C#N)cc2)cc1 96414777 OSWYYVFBAYOJRF-UHFFFAOYSA-N 337.423 3.070 30 40 EGEB N#C[C@H]1CCC[C@@H]1NC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl 585121640 UVMJBNVVBKOANL-MUWHJKNJSA-N 346.145 3.463 30 40 EGEB C#CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CCSc2ccc(C)cc21 72270265 KZSOAPJFRYRWDG-DOTOQJQBSA-N 344.480 3.356 30 40 EGEB C=C(C)Cn1c2c(c(=O)[nH]c1=S)CN([C@H](C)c1ccccc1)CN2 20567557 HHADENGWRXKHNL-CYBMUJFWSA-N 342.468 3.428 30 40 EGEB O=c1c2ccccc2nc(COc2ccccc2)n1/N=C/c1ccco1 545983 LJRVFXVUJFBHJY-FYJGNVAPSA-N 345.358 3.451 30 40 EGEB Cc1sc(NC(=O)CCNC(=O)c2ccsc2)c(C#N)c1C 25012822 RJMPIPVCPXYJCG-UHFFFAOYSA-N 333.438 3.057 30 40 EGEB C=CCc1cc(/C=C2/SC(=S)N(CC)C2=O)cc(OC)c1O 6951231 UZFOKKNLGZOKCY-UKTHLTGXSA-N 335.450 3.350 30 40 EGEB COc1cc2c(cc1OC)CN(C(=O)c1ccc(N=[N+]=[N-])nc1)CC2 108518012 WZWHDFKDGNBDMP-UHFFFAOYSA-N 339.355 3.239 30 40 EGEB N#Cc1cccc(NC(=O)N(Cc2ccncc2)C[C@H]2CCCO2)c1 58159282 BGJAZLONBIBRSW-GOSISDBHSA-N 336.395 3.166 30 40 EGEB C=CCO[C@H]1[C@H]2CC[C@H]1N(C(=O)c1cc3ccccc3s1)CCO2 107720941 SSPGQIAWUCOELB-IIDMSEBBSA-N 343.448 3.476 30 40 EGEB CC(=O)Nc1ccc(SCC(=O)Nc2ccc(C#N)cc2)cc1 2660533 WQFMQKWKGYNDGR-UHFFFAOYSA-N 325.393 3.247 30 40 EGEB C=CCn1c(C)cc(-c2csc(CN3C(=O)CCC3=O)n2)c1C 48279700 PGIVZIPZYTZKHH-UHFFFAOYSA-N 329.425 3.063 30 40 EGEB C=CCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1 6416161 UZTXSEHXHHWXCT-UHFFFAOYSA-N 344.436 3.020 30 40 EGEB N#Cc1ccc(C(=O)Nc2ccccc2C(=O)NCC(F)(F)F)cc1 7067557 MIEBDFPCDJKQCM-UHFFFAOYSA-N 347.296 3.103 30 40 EGEB C=C(C)CN1CCC(NC(=O)N[C@H]2CCCOc3ccccc32)CC1 71879846 GQGGFQUTDFZKHX-SFHVURJKSA-N 343.471 3.240 30 40 EGEB CCC(=O)Nc1cccc(NC(=O)NCc2cc(C#N)ccc2F)c1 76069512 RJSSPHWURGMVMJ-UHFFFAOYSA-N 340.358 3.368 30 40 EGEB C=CCOc1ccc(NC(=O)C(=O)NCc2ccccc2Cl)cc1 408709406 SGTWFFUUXLKYRL-UHFFFAOYSA-N 344.798 3.160 30 40 EGEB C=CCNS(=O)(=O)c1cc(C)c(Br)cc1C(C)C 36638836 RYQSZZPTDVRBOZ-UHFFFAOYSA-N 332.263 3.345 30 40 EGEB Cn1nncc1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 225567413 SQSINWGCMLLYOK-SNVBAGLBSA-N 343.456 3.152 30 40 EGEB C=CCN1C(=O)CCC[C@]12CCCN(C(=O)c1cc(C)cc(C)c1)C2 96229898 JKRFDHMAEBGZNP-OAQYLSRUSA-N 340.467 3.477 30 40 EGEB Cc1cc(C#N)nc(N2CCN(c3c(Cl)cccc3Cl)CC2)n1 588019278 FLJUVPRYCJZBQC-UHFFFAOYSA-N 348.237 3.290 30 40 EGEB C#CCN1CCC(C(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)CC1 50024660 RAZKPZPYXSERFM-CYBMUJFWSA-N 338.373 3.228 30 40 EGEB CNC(=O)[C@@H](C#N)C(=O)c1ccc(-c2ccc(F)cc2C)c(F)c1 101170023 PGBGUYHABWAVAM-HNNXBMFYSA-N 328.318 3.009 30 40 EGEB C[C@](C#N)(NC(=O)CNc1ccc(OC(F)F)c(Cl)c1)C1CC1 21698722 IBLMONIWSWIVST-OAHLLOKOSA-N 343.761 3.162 30 40 EGEB C[C@]12CC[C@@H]3[C@@H](C[C@@H]4O[C@@]45CC4(CC[C@]35C)OCCO4)[C@@H]1CCC2=O 4025667 YXFMREIBQXTTRD-XFGMUQQUSA-N 346.467 3.473 30 40 EGEB biogenic CN(CC(=O)Nc1sccc1C#N)Cc1c(F)cccc1Cl 57405648 CJIHIPONQVESMC-UHFFFAOYSA-N 337.807 3.483 30 40 EGEB CCN1CCN(C[C@H](S)CO[C@@H]2C[C@H](C)CC(C)(C)C2)CC1 22872256 MHXZIESENXBTBB-BBWFWOEESA-N 328.566 3.154 30 40 EGEB COc1cc(/C=C/C(=O)N[C@@H](C)c2ccccc2)ccc1OCC#N 3361500 VHTPMJZXZRZYDJ-GDXASINISA-N 336.391 3.488 30 40 EGEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)[C@@H]3C[C@@H]3C)c2)c1 12988650 MKIUZVRDWUZZCW-IFXJQAMLSA-N 333.387 3.468 30 40 EGEB O=C1Nc2ccccc2/C1=N/Nc1c(F)c(F)c(F)c(F)c1F 6927941 HNGIFCIAQUAPEE-UHFFFAOYSA-N 327.212 3.150 30 40 EGEB N#C[C@H](NC(=O)c1cnc(-c2ccccc2)nc1)c1ccccc1F 71889062 ICAFOVAXTYTHFF-KRWDZBQOSA-N 332.338 3.277 30 40 EGEB O=C1SC(S)=N/C1=C\c1cccn1-c1cccc([N+](=O)[O-])c1 16698632 STDCSLQPBYNWMM-WQLSENKSSA-N 331.378 3.286 30 40 EGEB CC(C)(C#N)C(=O)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 97081829 JWWHNDNOWOZPDA-ZDUSSCGKSA-N 326.318 3.155 30 40 EGEB CNCc1cc(C)nc(Sc2nc3ccc(N)cc3s2)c1C#N 408749329 FVAABNPVKLDHFA-UHFFFAOYSA-N 341.465 3.324 30 40 EGEB N#Cc1ccccc1NC(=O)c1ccc(O[C@H]2CCSC2)nc1 225713772 PGOKRPZTVBAQOX-AWEZNQCLSA-N 325.393 3.090 30 40 EGEB COc1cc(/C=C2/Cc3cc(OC)c(OC)cc3C2=O)ccc1O 85880107 FLMBUHUCBMHMRZ-MLPAPPSSSA-N 326.348 3.240 30 40 EGEB biogenic Cc1cnn(-c2ccc(S(=O)(=O)/N=C(\O)C3=CCCC3)cc2F)c1 95416004 KOVOFODOOCKBAF-UHFFFAOYSA-N 349.387 3.075 30 40 EGEB N#Cc1ccc(N2CCC(NCc3cccc4[nH]ccc34)CC2)nc1 95524839 BJSPXTDWOGGQDS-UHFFFAOYSA-N 331.423 3.193 30 40 EGEB C=C(C)CN(CC)C(=O)Nc1ccccc1N1CCN(CC)CC1 69563523 PZIXCNHKZVZSKK-UHFFFAOYSA-N 330.476 3.258 30 40 EGEB C[N+]1(C)C/C(=C\c2ccc(O)cc2)C(=O)/C(=C/c2ccc(O)cc2)C1 5722828 ACWXHLCWVVUBNY-UHFFFAOYSA-O 336.411 3.224 30 40 EGEB Cc1nnc(NC[C@@H](c2ccccc2Cl)N(C)C)c(C#N)c1C 24053997 WIEHDGVKSAWMRZ-INIZCTEOSA-N 329.835 3.333 30 40 EGEB CCN(CC)c1ccc(/C=C/C(=O)c2c(O)cc(C)oc2=O)cc1 8747281 ZOEKYAYGHVINTN-DHZHZOJOSA-N 327.380 3.396 30 40 EGEB Cc1cc(SCc2cc(O)n3ncc(C#N)c3n2)nc2ccccc12 40114216 XNBUVVKROUFDMU-UHFFFAOYSA-N 347.403 3.456 30 40 EGEB N#C[C@H](C(=O)c1ccc(Cl)c(Cl)c1)C(=O)N1CCCCC1 103502421 DERKZZYPPIFAGW-LLVKDONJSA-N 325.195 3.328 30 40 EGEB N#C[C@H](C(=O)CCc1c[nH]c2ccccc12)C(=O)NCc1ccccc1 103503564 JGITZTLLTXASFV-GOSISDBHSA-N 345.402 3.126 30 40 EGEB C/C(=C/C(=N/N=c1\[nH]c(C)cc(=O)[nH]1)c1ccccc1)c1ccccc1 1700680 QHGXJCQYAFKFJZ-HUVFJZIESA-N 344.418 3.420 30 40 EGEB C=CCNc1nc(C(=O)OCc2cn3cc(Cl)ccc3n2)cs1 7738747 YYIVGUMTSFDFIB-UHFFFAOYSA-N 348.815 3.399 30 40 EGEB C=CCOc1cc(/C=C2\N=C(c3ccco3)OC2=O)ccc1OC 2071186 CEBPFJCTNJMALN-RAXLEYEMSA-N 325.320 3.198 30 40 EGEB CSc1ccc([C@@H]2[C@H](C#N)C(=O)Nc3nc4ccccc4n32)cc1 9262164 YAYHGPBEUJIUAZ-XJKSGUPXSA-N 334.404 3.439 30 40 EGEB C[C@@H]1C[C@@H](C(N)=O)c2ccccc2N1Cc1cn2ccccc2c1C#N 58432979 STAANLJKROINLA-RHSMWYFYSA-N 344.418 3.179 30 40 EGEB CC(C)c1noc([C@H](C)N2CCN(c3cccc(F)c3C#N)CC2)n1 29860528 NWIGUBJIONBOMD-ZDUSSCGKSA-N 343.406 3.087 30 40 EGEB N#Cc1cccc(NC(=O)C(=O)N[C@@H]2CCCCc3ccccc32)c1 65614573 YFOZIZUDPZZFRL-GOSISDBHSA-N 333.391 3.081 30 40 EGEB CSc1nc(-c2ccc(Cl)cc2)c(C#N)c(N2CCOCC2)n1 19794136 XDBGRYHIBDQZAX-UHFFFAOYSA-N 346.843 3.227 30 40 EGEB CC(C)[C@@](C)(C#N)NC(=O)CN[C@@H](c1cccnc1)C1CCCCC1 65591321 WTXRUXABQCYIFQ-WOJBJXKFSA-N 342.487 3.347 30 40 EGEB CCCCc1c(C)nc(N/N=C(\C)c2ccc([N+](=O)[O-])cc2)[nH]c1=O 13548627 ZDLYJGXQTPZSLM-RGVLZGJSSA-N 343.387 3.165 30 40 EGEB C#CCn1/c(=N/C(=O)COc2ccccc2)sc2cccc(C)c21 100910471 SPISKLPLCQXXMA-VXPUYCOJSA-N 336.416 3.151 30 40 EGEB COC(=O)[C@H](C#N)c1nc2ccccc2nc1Oc1cccc(F)c1 51114359 JOFNBXXOCGRWBN-CYBMUJFWSA-N 337.310 3.341 30 40 EGEB CCCN1C(C(=O)c2ccccc2)=C(O)c2ccccc2S1(=O)=O 20591602 PCJGZIVZAKBOLX-UHFFFAOYSA-N 343.404 3.210 30 40 EGEB CCOc1cc(/C=C2\Oc3ccc(C(=O)OC)cc3C2=O)ccc1O 429877 SFHGIKBNUCLDBR-MFOYZWKCSA-N 340.331 3.194 30 40 EGEB biogenic,in-vitro COc1ccc([C@@H]2CC(=O)[C@H](C(C)C)C(C#N)(C#N)C2(C#N)C#N)cc1 506221 ISMQMIQHILILPT-WMZOPIPTSA-N 346.390 3.091 30 40 EGEB CC(=O)C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(F)cc1 76909 QOENJAPDMFUHOJ-GOSISDBHSA-N 339.366 3.353 30 40 EGEB C=CCN(Cc1ccc(OC)cc1)C(=O)c1c[nH]c2ccccc2c1=O 58420929 SEHQVLNZAJHRGQ-UHFFFAOYSA-N 348.402 3.365 30 40 EGEB C=CCn1c(S)nc2cc(C(=O)Nc3ccccc3)ccc2c1=O 12737653 SWKVJMQPUQDZTH-UHFFFAOYSA-N 337.404 3.124 30 40 EGEB CCOc1ccc([C@@H](C)Nc2ncnc3c2cnn3CCC#N)cc1 65520290 VEWBPUVZZHBALV-CYBMUJFWSA-N 336.399 3.312 30 40 EGEB C=C(C)COc1cccc(NC(=O)c2ccc(S(C)(=O)=O)cc2)c1 65626483 BWYAQCGYBQTUOM-UHFFFAOYSA-N 345.420 3.297 30 40 EGEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1nc2c(s1)CCC2 15637029 NQVYELFPBKDZEL-UHFFFAOYSA-N 338.392 3.448 30 40 EGEB N#Cc1csc(CN2CCC(NC(=O)c3ccccc3)CC2)c1 97032581 DNTKLZQTVDKNCA-UHFFFAOYSA-N 325.437 3.014 30 40 EGEB Cc1cn2c(CCC(=O)N[C@H](C#N)c3ccccc3F)csc2n1 95418456 IVNZGUTVMJFNKE-OAHLLOKOSA-N 342.399 3.157 30 40 EGEB Cc1ccsc1C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 75180737 ADSDEVSOTBFEMM-UHFFFAOYSA-N 341.436 3.142 30 40 EGEB N#Cc1ccc(F)c(CNC(=O)Nc2ccc(Cn3cccn3)cc2)c1 76070211 YCDKFWVEMAGHCS-UHFFFAOYSA-N 349.369 3.264 30 40 EGEB CC(=O)Nc1ccc(/C(C)=N/NC(=S)Nc2ccccc2)cc1 408870730 WOFLACCPBYVZJW-UDWIEESQSA-N 326.425 3.356 30 40 EGEB Cc1ccc(N=C[C@@H]2C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1C 408528754 BVPGYKWGBAPXFP-MRXNPFEDSA-N 349.390 3.213 30 40 EGEB CN(C)c1ccc(/C=C/C(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 60856893 GZSKKLBEAOBUJD-AWNIVKPZSA-N 344.436 3.020 30 40 EGEB Cc1ccc(S(=O)(=O)OC[C@@]23CC[C@@](C)([C@@H](O)C2)C3(C)C)cc1 216341820 ZFXRPTRISLWUBJ-RYQLBKOJSA-N 338.469 3.278 30 40 EGEB CCS[C@@H]1CCC[C@H](N/C(=N\C)NCCc2c(C)noc2C)C1 97227537 FPMJKXGGJZJTFI-LSDHHAIUSA-N 338.521 3.063 30 40 EGEB Cc1ccc2nc(Nc3ccc(Cl)cc3)c(/C=N/O)c(=O)n2c1 46531 CLTWLHFNHLYCSM-QGMBQPNBSA-N 328.759 3.208 30 40 EGEB CC1(C)CC(=O)C2=C(C1)Nc1nonc1N[C@@H]2c1ccc(F)cc1 12323201 LOFJDLAFPFYNBN-CQSZACIVSA-N 328.347 3.431 30 40 EGEB C[C@@H]1CCCN(C[C@H]2C(=O)O[C@@]34[C@H]2CC[C@@H](C)[C@@H]3CC[C@@]2(C)O[C@H]24)C1 12862774 UVGULDLZIGGMGP-IZKMKMHPSA-N 347.499 3.244 30 40 EGEB biogenic N#Cc1cccnc1Oc1ccccc1NCc1cccc(C(N)=O)c1 78903824 FXJJNQRJEFUCKA-UHFFFAOYSA-N 344.374 3.457 30 40 EGEB COc1ccc(C(=O)C[C@@H](C#N)c2ccc3c(c2)OCO3)cc1OC 1615072 OPEGUAZSDPKRJX-AWEZNQCLSA-N 339.347 3.313 30 40 EGEB Oc1ccc(Cl)cc1/C=N\NC(=S)Nc1ccc2cn[nH]c2c1 4822270 UPMYIYPPUGNQDJ-LSCVHKIXSA-N 345.815 3.242 30 40 EGEB COC1=CC(=O)C2=C(C1=O)[C@]1(C)CCC[C@@](C)(COC(C)=O)[C@H]1CC2 104080909 DZJPRQGFOUDQTE-LSTHTHJFSA-N 346.423 3.135 30 40 EGEB C=CCN1C(=O)[C@@]2(Nc3ccccc3C(=O)N2CC=C)c2ccccc21 58191276 QGZJWXLYNGAUGD-OAQYLSRUSA-N 345.402 3.126 30 40 EGEB C[C@H]1CN(C(=O)/C=C/c2cn(CCC#N)c3ccccc23)C[C@@H](C)O1 44866179 VEWUTSPDUSQQFH-KZQNYRHTSA-N 337.423 3.204 30 40 EGEB COc1ccc(Cl)cc1-n1c(C)cc(/C=N/n2cnnc2)c1C 408908381 CAEANQNJVNDPKU-DNTJNYDQSA-N 329.791 3.230 30 40 EGEB C=CCSc1nnc(NC(=O)COc2cccc(C)c2C)s1 7594213 PZQHFUXBFXJBNG-UHFFFAOYSA-N 335.454 3.451 30 40 EGEB C=CCn1c(SCc2nc(N)c3ccccc3n2)nnc1C1CC1 8745233 LMYFPMCZTXJHML-UHFFFAOYSA-N 338.440 3.159 30 40 EGEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccccc1O 408793242 DOMJIEFSKGJYGL-KRWDZBQOSA-N 347.370 3.134 30 40 EGEB CC(C)c1ccc(S(=O)(=O)N(CCC#N)CC(F)(F)F)cc1 97212736 UWRUVIIMCFYKSJ-UHFFFAOYSA-N 334.363 3.277 30 40 EGEB C[C@H](NC(=O)N[C@@H]1CCOC2(CCCC2)C1)c1cccc(C#N)c1 95426199 BKFLNKGQIIGRQT-WMLDXEAASA-N 327.428 3.410 30 40 EGEB CCn1c(N/N=C/c2ccc(O)c([N+](=O)[O-])c2)nc2ccccc21 408692193 GTTNVWXRXMXMAP-LICLKQGHSA-N 325.328 3.116 30 40 EGEB Cc1ccc(CCC(=O)NC2CCN(c3ccc(C#N)cc3)CC2)o1 96444998 YUFLUFGJGXLVDN-UHFFFAOYSA-N 337.423 3.178 30 40 EGEB N#Cc1ccnc(O[C@H]2CCCN(C(=O)CC3CCCCC3)C2)c1 575605774 MTSJXMONBJKCSB-KRWDZBQOSA-N 327.428 3.293 30 40 EGEB O=C1/C(=C/c2cccnc2)Oc2c1ccc(O)c2CN1CCCCC1 13207149 JXDZZHKAQFMUKP-WQRHYEAKSA-N 336.391 3.389 30 40 EGEB N#CC1(NC(=O)CN2CCC[C@@H]2Cc2cccc(F)c2)CCCCC1 52011511 ICHYELRNKLMDTE-GOSISDBHSA-N 343.446 3.175 30 40 EGEB N#C[C@@H](C(=O)CCc1c[nH]c2ccccc12)C(=O)NCc1ccccc1 103503561 JGITZTLLTXASFV-SFHVURJKSA-N 345.402 3.126 30 40 EGEB CCO[C@H](C)c1nc(C)c(/C(O)=N/S(=O)(=O)CC(C)(C)C)s1 77878588 KRQKEXGRSHXYQG-SNVBAGLBSA-N 348.490 3.230 30 40 EGEB Cc1cccc(C)c1NC(=O)CN(C)c1ccc(C#N)cc1[N+](=O)[O-] 8777273 UDJTWQXGWRNRRI-UHFFFAOYSA-N 338.367 3.158 30 40 EGEB C[C@H](NC(=O)N1CCN(c2ccccc2)CC1)c1ccc(C#N)cc1 47051809 UFQURCAKKUALNR-INIZCTEOSA-N 334.423 3.151 30 40 EGEB CN(CC(=O)Nc1ccccc1C#N)Cc1nc2ccccc2s1 7688873 FNHNHWKCJZZMTB-UHFFFAOYSA-N 336.420 3.238 30 40 EGEB COc1cc(C#N)ccc1Oc1ccc(N[C@@H]2C[C@H](C)OC2=O)cc1 71902664 QFHFYDGOMQULAA-BLLLJJGKSA-N 338.363 3.475 30 40 EGEB N#C[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F 87303561 CODJNGJHFDJSGV-MRXNPFEDSA-N 345.305 3.187 30 40 EGEB CCCCCCCCOC(=O)[C@@H](N)Cc1ccc(O)c([N+](=O)[O-])c1 33358468 ZIEJDWACCIGWMP-AWEZNQCLSA-N 338.404 3.074 30 40 EGEB biogenic CCOc1cc(I)cc(C#N)c1OC(C)C 225290931 ZRYZWUYGROIFFP-UHFFFAOYSA-N 331.153 3.349 30 40 EGEB C=CCNC(=O)C1(Cc2ccccc2Br)CCOCC1 141520115 UINOTNHZGRKCQN-UHFFFAOYSA-N 338.245 3.091 30 40 EGEB C=CCN1CCC(NC(=O)N[C@H](C)c2ccccc2SC)CC1 252487674 HZKKEENOJNVRLN-CQSZACIVSA-N 333.501 3.419 30 40 EGEB Cc1nc(-c2cccc(Br)c2)ccc1C(=O)OCC#N 17731929 GKMLSGWYFZXEGI-UHFFFAOYSA-N 331.169 3.500 30 40 EGEB COc1ccc(/C=N/OC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1OC 1437962 GVCFVXPVBSZWAC-VCHYOVAHSA-N 344.323 3.111 30 40 EGEB CC/C(C)=N/Nc1nc2sc3c(c2c(=O)n1C)CC(C)(C)OC3 495439 ZTFFFPGSYAYDME-GIJQJNRQSA-N 334.445 3.044 30 40 EGEB C=CCn1c(SCc2ccc(C(N)=O)cc2)nnc1-c1ccco1 29550572 HKQXFMLOQHIRJV-UHFFFAOYSA-N 340.408 3.115 30 40 EGEB CCOC(=O)c1sc(N)c(C#N)c1COC(=O)C1CCCCC1 3305054 HPSWRLIDBSTGMV-UHFFFAOYSA-N 336.413 3.002 30 40 EGEB CC(C)[C@H](NC(=O)c1cccc(C#N)c1)c1ccc2c(c1)OCCO2 6789679 AUIFRQCPTYEQHP-IBGZPJMESA-N 336.391 3.457 30 40 EGEB C#CCOc1ccc(/C=N/NCc2ccccc2OC)cc1OCC 20763167 TURYTEJUPSDBOD-KGENOOAVSA-N 338.407 3.230 30 40 EGEB COc1cc(C#N)cc(Cl)c1OCC(=O)N1C[C@@H](C)C[C@H](C)C1 9154099 KXBKKWNLKKUHIG-RYUDHWBXSA-N 336.819 3.104 30 40 EGEB Cc1oc(/N=C/c2cn(CCC(N)=O)c3ccccc23)c(C#N)c1C 561449 XBVPTEAUAWGBGV-LSHDLFTRSA-N 334.379 3.349 30 40 EGEB Cc1ccc(-c2nnc(S)n2/N=C\c2ccc(C(=O)O)cc2)cc1 13113789 SRMPMANHNPCVIC-ZDLGFXPLSA-N 338.392 3.123 30 40 EGEB CCOc1cccc([C@@H]2C3=C(C[C@@H](C)CC3=O)Nc3nc(C)nn32)c1 14164948 LMBGNCVWFOKTEB-ADLMAVQZSA-N 338.411 3.253 30 40 EGEB CC1(C)OB(c2ccc(C(=O)NC3CCCCC3)cc2)OC1(C)C 203757725 OCYOLMGXEYLCPB-UHFFFAOYSA-N 329.249 3.048 30 40 EGEB CCOC(=O)N1CCc2c(sc(NC(=O)C(C)(C)C)c2C#N)C1 4280351 SPNWYHLZIPPGCD-UHFFFAOYSA-N 335.429 3.119 30 40 EGEB N#Cc1cccc(N2CCN(c3cccc(Br)c3)CC2)n1 343139882 HKKUVXISACQMAD-UHFFFAOYSA-N 343.228 3.042 30 40 EGEB C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccc(CC#N)cc2)CC1=O 72729531 WYSHCCLDNGAWMF-QAPCUYQASA-N 347.418 3.301 30 40 EGEB CCOc1ccc(C(=O)C[n+]2cccc3ccccc32)cc1[N+](=O)[O-] 23375015 GYXQEZPVPQYTMA-UHFFFAOYSA-N 337.355 3.317 30 40 EGEB Cc1cc(NC(=O)c2cc(-c3cccs3)on2)n(CCC#N)n1 58282623 PQRVWCCULWYSBV-UHFFFAOYSA-N 327.369 3.074 30 40 EGEB CCOc1c(OC)cc(/C=C/C(=O)c2cnn(CC)c2)cc1OC 58367105 MQZCFNSTUJTGNH-BQYQJAHWSA-N 330.384 3.215 30 40 EGEB Cn1c([C@H](C#N)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)nc2ccccc21 12603781 WILSGPDRFZKBCJ-KUCQQTCKSA-N 346.346 3.371 30 40 EGEB N#Cc1ccc(N2CCCN(Cc3ccc(Cl)cc3)CC2)nc1 48304283 CLDBZVOXAHQYBS-UHFFFAOYSA-N 326.831 3.319 30 40 EGEB N#Cc1cccc([C@H](NCc2cccc(Cl)c2)P(=O)(O)O)c1 13004735 RMDOEWZYQLTTST-OAHLLOKOSA-N 336.715 3.178 30 40 EGEB COc1cc(/C=C/C(=O)c2ccc3c(c2)CCO3)cc(OC)c1O 14185669 RIKCHXYUAVFJJG-HWKANZROSA-N 326.348 3.240 30 40 EGEB COC(=O)C1=C(C)N(c2ccc(F)cc2)/C(=C/c2ccco2)C1=O 4514233 BQORMLCCUMLUEI-XNTDXEJSSA-N 327.311 3.296 30 40 EGEB C[C@H]1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1 71847885 MSYBVTOGNMKTJY-HOCLYGCPSA-N 348.468 3.073 30 40 EGEB C=CCc1cc(C(=O)NCCOc2ccccc2OC)ccc1OC 224126383 GQNWATKLGICCBL-UHFFFAOYSA-N 341.407 3.241 30 40 EGEB C=C[C@](C)(O)Cc1nc(-c2cccc(CN3CCCCC3)c2)no1 585133517 KOTNPRJIZGHDIN-IBGZPJMESA-N 327.428 3.202 30 40 EGEB N#Cc1ccc(NC(=O)NC2CCC(O)CC2)cc1C(F)(F)F 78938124 YYBFVWWLLOZALJ-UHFFFAOYSA-N 327.306 3.002 30 40 EGEB N#CCCN(CCC(F)(F)F)C(=O)COc1ccc(F)cc1F 79071139 VEDKNKIUJZDLOL-UHFFFAOYSA-N 336.260 3.038 30 40 EGEB N#C[C@H](C(=O)Nc1ccccn1)C(=O)c1csc(-c2ccccc2)n1 103717503 LDGPCDPSZVGYDR-ZDUSSCGKSA-N 348.387 3.166 30 40 EGEB CSc1nc2n(n1)[C@@H](c1ccc(F)cc1)C1=C(C[C@H](C)CC1=O)N2 14165059 JBPANFYMOLTLNF-VFZGTOFNSA-N 344.415 3.407 30 40 EGEB C#CCN1C(=O)N(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc21 1888989098 PUNVLUAEDVASMB-UHFFFAOYSA-N 340.404 3.072 30 40 EGEB Cc1cc(C)c(C(=O)c2sc3nc(N)c(C#N)cc3c2N)cc1C 21601429 ZLQPFRFJGSOELD-UHFFFAOYSA-N 336.420 3.489 30 40 EGEB N#C[C@@H](C(=O)[C@@H]1CC(c2ccccc2)=NO1)c1nc2ccccc2o1 54736428 LSNSZTZLDGDBSA-GUYCJALGSA-N 331.331 3.197 30 40 EGEB N#Cc1ccc(CN2CCN(Cc3cccc4cccnc34)CC2)cc1 25182290 LRJFVNZBIZLCLZ-UHFFFAOYSA-N 342.446 3.424 30 40 EGEB C[C@@H](Sc1ncc2ccccn12)C(=O)NC1(C#N)CCCCC1 26372529 UAPQXERRDYZMBO-CYBMUJFWSA-N 328.441 3.158 30 40 EGEB COc1ccc2cc(CNC(=O)COc3ccc(C#N)cc3)ccc2c1 11124354 ICDYKIPFMSDHLV-UHFFFAOYSA-N 346.386 3.415 30 40 EGEB C[C@H](Oc1cc(F)ccc1[N+](=O)[O-])C(=O)Nc1ccccc1C#N 3431646 DBIHMPCSGHWQGP-JTQLQIEISA-N 329.287 3.012 30 40 EGEB N#C[C@H](NC(=O)C[C@H]1CSCCS1)c1cccc(Cl)c1 95433629 XJFLDLQBTPBVHY-STQMWFEESA-N 326.874 3.260 30 40 EGEB Cc1nc(C/C(N)=N/OCc2cc(-c3cccs3)on2)cs1 63456844 PTOYQGIFXXWAGW-UHFFFAOYSA-N 334.426 3.200 30 40 EGEB C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(C)cc3C)cc2C1=O 6653953 ZJUDADYQWIPSFG-UHFFFAOYSA-N 334.375 3.338 30 40 EGEB Cc1ccc(C(=O)N[C@H](C(=O)Nc2cccc(C#N)c2)C(C)C)cc1 6649043 QDAOEQMOVCAJBF-SFHVURJKSA-N 335.407 3.260 30 40 EGEB C#CCOc1ccc(NC(=O)N[C@@H](c2nccs2)C2CC2)cc1 96434762 NWPFQDNFFKUTHJ-OAHLLOKOSA-N 327.409 3.428 30 40 EGEB C=CCN(CC1CCCCC1)C(=O)C1CCN(c2cnccn2)CC1 71899791 YJQCDKJJCYOXDR-UHFFFAOYSA-N 342.487 3.288 30 40 EGEB C=CCN(CC(F)(F)F)C(=O)c1ccc(-n2cccn2)c(F)c1 69459149 OFWYIKFRFTXQLX-UHFFFAOYSA-N 327.281 3.202 30 40 EGEB COc1cccc(/C=N\c2ccc(N(C)C)cc2)c1O[C@@H](C)C(=O)O 409232243 PLHNKWHYGNIURL-RQZLXBNYSA-N 342.395 3.364 30 40 EGEB CO[C@]1(C(=O)Nc2ccc(OC(C)=O)cc2C#N)CCC[C@@H](C)C1 225809561 FDUVUFGXEGWXOB-KZULUSFZSA-N 330.384 3.017 30 40 EGEB COc1ccccc1[C@@H](C)NC(=O)NCc1ccc(C#N)cc1F 96404262 IXTMHPOREOKPGA-GFCCVEGCSA-N 327.359 3.266 30 40 EGEB CCOc1ccccc1-n1nc(C#N)c(N2CCCC[C@@H]2CC)n1 256047612 NLDOAELWELDQJD-AWEZNQCLSA-N 325.416 3.307 30 40 EGEB CCN(CCC#N)C(=O)Nc1ccc(I)cc1 80161887 YYAPJGDLGLXGFR-UHFFFAOYSA-N 343.168 3.059 30 40 EGEB O=S(=O)(N/N=C/c1ccccc1C(F)(F)F)c1ccccc1 3526569 ZLGAFXDQCVMHQF-VCHYOVAHSA-N 328.315 3.018 30 40 EGEB C=CCOc1ccc(/C=C2\NC(=S)N(CCC)C2=O)cc1OCC 3662827 IPSYMXYRPISJDU-KAMYIIQDSA-N 346.452 3.118 30 40 EGEB CC(C)Oc1ccc(N2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)cc1 5009289 ZPMNLMAQYDAQAM-UHFFFAOYSA-N 348.406 3.067 30 40 EGEB C[C@@]1(c2ccccc2Cl)NC(=O)N(Cc2ccccc2C#N)C1=O 3363453 NBERISICVIVTSG-SFHVURJKSA-N 339.782 3.179 30 40 EGEB C=C(C)Cn1c(=O)nc(N)c2c(-c3ccc(OC)cc3)csc21 40286167 NPDYCAFGYJLYCI-UHFFFAOYSA-N 327.409 3.292 30 40 EGEB CN(/N=C/c1cccc2ccccc12)C1=NS(=O)(=O)c2ccccc21 88941 CACYPGFVZQWRKJ-DEDYPNTBSA-N 349.415 3.255 30 40 EGEB O=c1c2ccccc2nc(-c2ccco2)n1/N=C/c1ccccc1O 349424 PSZGBZQPQQYPQD-UDWIEESQSA-N 331.331 3.244 30 40 EGEB Cc1ccc(C2=C(NCCCN)C(=O)c3cc(C)c(C)cc3C2=O)cc1 102914586 NHPXNFWJEFWTHA-UHFFFAOYSA-N 348.446 3.341 30 40 EGEB