smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccc1OC(F)F 16134564 LMNLMCTUWMZUJB-UHFFFAOYSA-N 406.429 3.405 10 40 HGCB Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)c1C 17088812 HOJCHKNWXQHTGK-QPJJXVBHSA-N 411.374 3.178 10 40 HGCB CSc1nc(C)c(CCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(C)n1 32772607 YVLICYGVXDBWNV-UHFFFAOYSA-N 414.575 3.243 10 40 HGCB Cc1nn(-c2ccc(S(=O)(=O)O)cc2)c(O)c1/N=N\c1cc([N+](=O)[O-])ccc1O 104221616 GMFGVGSPYZRDNG-ZCXUNETKSA-N 419.375 3.162 10 40 HGCB C#CCOc1c(CC=C)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OCC 107792410 YBKXHHOAEQCDKG-HKWRFOASSA-N 402.450 3.287 10 40 HGCB CCOc1ccc(N2C(=O)/C(=C\c3cc(Cl)ccc3O)C(=O)NC2=S)cc1 4742276 HYBZSKQMHGBUQO-GDNBJRDFSA-N 402.859 3.276 10 40 HGCB Cc1cc(C)c2c(N)c(C(=O)O[C@H](C)C(=O)Nc3ccc4c(c3)OCO4)sc2n1 10645079 WMRYTCKJIPMPED-LLVKDONJSA-N 413.455 3.408 10 40 HGCB COc1ccc(N2CCN(c3cc(C)nc4nc(-c5ccccc5)nn34)CC2)cc1 16283424 DEYUXUCCBYXSRJ-UHFFFAOYSA-N 400.486 3.435 10 40 HGCB C[C@H]1C[C@H](C)CN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C)C2=O)C1 26531892 VAXFLKLHGTWBSX-IFOMGDBJSA-N 414.556 3.008 10 40 HGCB CCOC(=O)c1sc(N2N=C(C)[C@H](/N=N/c3ccccc3C(=O)O)C2=O)nc1C 100552299 DHISGQHHFXNNDK-LBVBEYCISA-N 415.431 3.201 10 40 HGCB CC(C)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1 408848985 XOFREFCUNQAUJM-RQZCQDPDSA-N 408.410 3.117 10 40 HGCB Cc1cc(C(=O)CSc2nnnn2C)c(C)n1-c1ccc(Br)cc1 3542675 RJOMMDBBQQUHLZ-UHFFFAOYSA-N 406.309 3.355 10 40 HGCB OC1(c2ccccn2)[C@H]2CCC[C@@H]1CN(Cc1ccc(N3CCOCC3)c(F)c1)C2 12089079 DWZXXFOJRISKDC-VXMMSVGHSA-N 411.521 3.177 10 40 HGCB CN1CCN([C@@H](CNC(=O)c2cccc(Cl)c2)c2ccc(N(C)C)cc2)CC1 22589219 VTEXCIBGLSUDSD-NRFANRHFSA-N 400.954 3.125 10 40 HGCB CCOc1ccc2nc(Sc3ccc(C=C4C(=O)NC(=O)NC4=O)o3)sc2c1 3667263 HGXMZZKUAKNWTK-UHFFFAOYSA-N 415.452 3.189 10 40 HGCB COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1cc2c(cc1Br)OCO2 59566422 BYFMOLMZAIOSIX-XGICHPGQSA-N 408.248 3.259 10 40 HGCB COc1ccc2c(c1)C=C[C@H]1[C@@H]3C(=O)N(c4c(C)cccc4C)C(=O)[C@H]3[C@@H](C(C)=O)N21 101487374 UTQZZTKVCRFKPY-NNXSRULWSA-N 416.477 3.291 10 40 HGCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(OC)c1 409099561 UEBMHOGYBBMQRQ-NTEUORMPSA-N 416.886 3.497 10 40 HGCB CCOC(=O)COc1ccc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc1 409134955 OVQUWTMVDAHVQX-ATVHPVEESA-N 410.451 3.029 10 40 HGCB Cc1cc(NC(=S)NCc2ccc(N3CCOCC3)cc2)ccc1N1CCCC1=O 225421875 IEZDYOLNNPMUOF-UHFFFAOYSA-N 424.570 3.445 10 40 HGCB CN(C)c1ccc([N+](=O)[O-])cc1/C=C1/C(=O)NN(c2ccc(Cl)c(Cl)c2)C1=O 16186545 NGLYZGKPYARTEU-JYRVWZFOSA-N 421.240 3.429 10 40 HGCB O=C(O)c1ccc(/C=C2\SC(=S)N(c3ccc(C(=O)O)c(O)c3)C2=O)cc1 4356739 VRIRGMHDHGLVFP-AUWJEWJLSA-N 401.421 3.194 10 40 HGCB CCOCCOC(=O)c1nn(-c2ccc(Cl)cc2)c2c1C(=O)c1ccccc1C2=O 1584711 AOTHYMRCVSJSFX-UHFFFAOYSA-N 424.840 3.494 10 40 HGCB CCn1cc(/C=C2/SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)cn1 2732230 RWXCTYSXQBUOOQ-LICLKQGHSA-N 403.529 3.364 10 40 HGCB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)cc1 58158720 VDFAQDAZTISBSQ-KNQAVFIVSA-N 413.562 3.051 10 40 HGCB O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/Nc1ccc(Cl)c([N+](=O)[O-])c1 408531547 KSOSTCYBETZJKN-CSKARUKUSA-N 421.196 3.480 10 40 HGCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(Br)c3)C2=O)cc1 408865354 BXNMPWNPPDHYDK-XNTDXEJSSA-N 401.216 3.124 10 40 HGCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\C=C\c2ccc(N(C)C)cc2)C1=O 409235545 CDFKXWZVLKQVEN-OQUKJUSVSA-N 405.454 3.374 10 40 HGCB O[C@]1(c2ccc3c(c2)OCCO3)CN(c2ccc(Cl)cc2)C2=[N+]1CCCS2 4086800 JOWFNOIOCIDRCZ-FQEVSTJZSA-N 403.911 3.282 10 40 HGCB COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCc1ccc(F)cc1 17088833 GTNKVFUQZBGNKG-STZFKDTASA-N 411.433 3.164 10 40 HGCB Cc1cc(C)c2[nH]c(=O)c(/C=C3/C(=O)NC(=O)N([C@@H](C)c4ccccc4)C3=O)cc2c1 41074055 JYQANPRKARRRBA-CCRNYGKSSA-N 415.449 3.368 10 40 HGCB Cc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)c(C)n1-c1cccc(Cl)c1Cl 408590838 IFQPBCSILKLVOM-NTUHNPAUSA-N 408.241 3.378 10 40 HGCB CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3)C2=O)c1 408854633 JMEFIYBSIFAGHQ-SFQUDFHCSA-N 410.426 3.159 10 40 HGCB CCC(=O)Oc1ccc(/C=C2/C(=O)NN(c3cccc(Cl)c3)C2=O)cc1OC 5175582 CGZUWYRMKGHPNZ-DHDCSXOGSA-N 400.818 3.125 10 40 HGCB O=c1oc2c(CNc3ccc(CN4CCOCC4)cc3)c(O)ccc2c2c1CCC2 20622866 TXYLFHKOKQZXON-UHFFFAOYSA-N 406.482 3.432 10 40 HGCB O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1)[C@H](c1ccccc1)OC21C(=O)c2ccccc2C1=O 101098336 BRPXBFGWZBBNCG-NJYVYQBISA-N 423.424 3.382 10 40 HGCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OCC)C2=O)cc1 408811824 OJEWBXANLQTHKM-LDADJPATSA-N 410.426 3.159 10 40 HGCB CC(C)OC(=O)Cn1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc21 16575510 VVPPSTWLJMCWTO-UNOMPAQXSA-N 403.438 3.054 10 40 HGCB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccc(C(=O)O)cc1 4263489 LCGJRWOLCNBEHQ-GXDHUFHOSA-N 402.453 3.208 10 40 HGCB CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(OC)c1 4933204 LWHTUDZXKJCLRH-LDADJPATSA-N 417.531 3.200 10 40 HGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(C[C@H]4CCCO4)c3C)C2=O)cc1 409204556 IUDYKSJJSASBNZ-FUNKKEAFSA-N 407.470 3.259 10 40 HGCB CC(C)c1ccc(N2C=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccccc32)cc1 48989056 PZKROVVSYOGCQX-UHFFFAOYSA-N 412.511 3.436 10 40 HGCB COc1ccc2c3c(n(Cc4cnn(C)c4)c(=O)c2c1OC)-c1ccccc1C3=O 604405733 VDLXTOKGBODHGB-UHFFFAOYSA-N 401.422 3.012 10 40 HGCB biogenic O=c1[nH]c(-c2ccccn2)nc2c1CCN(Cc1ccc(N3CCCC3)c(F)c1)C2 12120693 VBFZFYBKCRNSAS-UHFFFAOYSA-N 405.477 3.130 10 40 HGCB CCc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N(C)C)s1 8798866 BFWIYGIBMKISRV-IBGZPJMESA-N 407.605 3.274 10 40 HGCB COc1ccc(/C=C2/SC(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)=NC2=O)cc1 15401555 YKBQIBAIRTYNFD-XMHGGMMESA-N 424.482 3.396 10 40 HGCB COc1cc(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1O 5661029 ONDUHALCMXYKAK-NTUHNPAUSA-N 407.209 3.374 10 40 HGCB Cc1cc(C(=O)COC(=O)c2cc[n+]([O-])cc2)c(C)n1-c1ccc(OC(F)F)cc1 5701485 QZPBLMGLMYKWQP-UHFFFAOYSA-N 416.380 3.369 10 40 HGCB C[C@H](C(=O)N1CCCC[C@H]1CCO)N1C(=O)/C(=C\c2ccccc2)SC1=S 6660663 PMELIGHKNHXTEV-DCHMLSIZSA-N 404.557 3.040 10 40 HGCB CCCCCC1=NN2C(=N)/C(=C/c3ccc(OS(C)(=O)=O)cc3)C(=O)N=C2S1 41083171 MWDHMKZXHYZFQO-OVZHKCSHSA-N 420.516 3.224 10 40 HGCB COC(=O)Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1nc(C)cs1 44085950 FNCIIKZWRQSSLC-UHFFFAOYSA-N 402.501 3.219 10 40 HGCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)NC1=S 409142985 MKVSFWSACIOWMU-ZHZULCJRSA-N 410.543 3.008 10 40 HGCB CCc1cc(C)cc(OCCOc2ccccc2C=C2C(=O)N(C)C(=O)N(C)C2=O)c1 5200670 MCXSVTHLKVHOOP-UHFFFAOYSA-N 422.481 3.449 10 40 HGCB O=C(CN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc([N+](=O)[O-])cc1 5234197 GXNUTRAEZNUYJV-JYRVWZFOSA-N 405.482 3.496 10 40 HGCB CCOc1ccc(/C=C2\C(=O)N(Cc3cccnc3)C(C)=C2C(=O)OC)cc1OC 6935171 VNYAYQBLNGHQLU-WQRHYEAKSA-N 408.454 3.362 10 40 HGCB COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OS(=O)(=O)c1ccccc1 33606773 KNXYROVXMUNUDS-LFIBNONCSA-N 421.521 3.294 10 40 HGCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccc(O)cc1 223578272 MQRBNYIHQATACF-NHCUHLMSSA-N 408.527 3.160 10 40 HGCB Cc1c(N2C(=O)CS[C@@H]2c2ccc(N(C)C)cc2)c(=O)n(-c2ccccc2)n1C 1091750 KLOFHPDYHUKQTB-JOCHJYFZSA-N 408.527 3.329 10 40 HGCB COc1ccc2c(c1)CCC1=C2N=C2N=NNN2[C@H]1c1ccc(N2CCOCC2)cc1 3401335 HMEYWXMOFZLQMW-QFIPXVFZSA-N 416.485 3.487 10 40 HGCB COc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)ccc1OC(C)=O 59136138 GHIACESJAMSGKO-UKTHLTGXSA-N 414.414 3.431 10 40 HGCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccccc1OC(=O)c1ccco1 408532975 IXUCEWHNCFDPFP-OWBHPGMISA-N 420.352 3.304 10 40 HGCB CCOc1cc(/C=C2\SC(=S)N(CC(=O)OC)C2=O)ccc1OCC(C)C 409201405 MLWMMYRWQDUQIC-SXGWCWSVSA-N 409.529 3.494 10 40 HGCB COc1cc(/C=C2\SC(N)=NC2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 9244763 PMFJGXWOVGYLGD-SXGWCWSVSA-N 417.874 3.295 10 40 HGCB COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2)cc1 408780075 RKNITQWIABPSLW-UYRXBGFRSA-N 406.438 3.007 10 40 HGCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCCC4)cc3)C2=O)cc1 408962481 YNVFQTVXBKVGBE-HMMYKYKNSA-N 405.454 3.352 10 40 HGCB CN(C)c1ccc([C@H](CNC(=O)C2CC2)N2CCN(c3ccc(F)cc3)CC2)cc1 22665627 OHIDGIRTJFGCLX-QHCPKHFHSA-N 410.537 3.281 10 40 HGCB CN1C(=O)C(=Cc2cc(Cl)ccc2OCc2ccc(F)cc2)C(=O)N(C)C1=O 58823163 ZSBDEGARMLUQHR-UHFFFAOYSA-N 402.809 3.492 10 40 HGCB COC(CN(CCCO)CC(=O)Nc1ccc(/N=N/c2ccccc2)cc1)OC 96007190 KSNZHKXFLFWZOZ-WCWDXBQESA-N 400.479 3.344 10 40 HGCB CCOc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC)c(Cl)c3)C2=O)c1 408784775 XGYKESQFLCDELV-DHDCSXOGSA-N 400.818 3.414 10 40 HGCB COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccncc4)C3=O)c2C)cc1 409393328 QGUADKHRNXEXIF-DEDYPNTBSA-N 416.437 3.164 10 40 HGCB Cc1c(N2C(=O)CS[C@H]2c2ccc(N(C)C)cc2)c(=O)n(-c2ccccc2)n1C 1091751 KLOFHPDYHUKQTB-QFIPXVFZSA-N 408.527 3.329 10 40 HGCB O=C(O)CN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccncc2)SC1=S 33808714 JNPQZUBMYSJYAP-MHWRWJLKSA-N 422.491 3.220 10 40 HGCB CCOc1cccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)C(=O)NC2=S)c1 408781864 FLSHATUOXMTRFF-RIYZIHGNSA-N 402.859 3.276 10 40 HGCB COc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O 409058714 SQJSDPLIXFVMAI-NTUHNPAUSA-N 407.209 3.374 10 40 HGCB C[C@H](N1C(=O)NC(=O)/C(=C\c2ccc3c(c2)OCO3)C1=O)C12CC3CC(CC(C3)C1)C2 6467875 NSCHVNBDITVXRJ-QOWWFBLISA-N 422.481 3.482 10 40 HGCB COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)cc1 223598755 SGOIBMOAZLBIBC-RTWAWAEBSA-N 408.527 3.154 10 40 HGCB CCN(CC)c1ccc(N/C=C2/C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1 2303198 OQGHQSWLNHECEU-RGEXLXHISA-N 408.458 3.120 10 40 HGCB O=C1NC(=S)N(C2CC2)C(=O)/C1=C/c1ccc2c(c1)CCCN2Cc1ccccc1 9111572 KKKINKJXICYEEU-XSFVSMFZSA-N 417.534 3.429 10 40 HGCB O=C(O)c1cc(N2C(=O)/C(=C\c3cnc4ccccc4n3)SC2=S)ccc1O 13684195 MZXBQXJACWVMFM-FRKPEAEDSA-N 409.448 3.439 10 40 HGCB COc1ccc(-c2c(C)oc3c(CN4CCN(C)CC4)c(O)ccc3c2=O)cc1OC 20410369 ZWFNWOXAYYWPMF-UHFFFAOYSA-N 424.497 3.239 10 40 HGCB biogenic COC(=O)[C@H](C)Oc1ccc2ccccc2c1/C=C1/C(=O)NN(c2ccccc2)C1=O 35332306 UQLYHVUJNAIFMU-CPOQMQJTSA-N 416.433 3.242 10 40 HGCB COc1ccc(N2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)cc1 57548370 JGZCBOAAGSWKCB-UHFFFAOYSA-N 404.308 3.218 10 40 HGCB Cc1oc2c(c1C(=O)N1CCN(c3ccccc3F)CC1)C(=O)c1ccccc1C2=O 1236040 KRXHDZUKQSAUOL-UHFFFAOYSA-N 418.424 3.465 10 40 HGCB O=C(CN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1cccc(C(=O)O)c1 2930464 RQJOQXVBYSGFFS-DHDCSXOGSA-N 416.455 3.364 10 40 HGCB O=C1NC(=S)NC(=O)C1=Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1 4690848 UPYSLXATVHDXLP-UHFFFAOYSA-N 407.278 3.487 10 40 HGCB COc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O 14010799 MVOWYCJJMZCYSG-UVTDQMKNSA-N 401.216 3.124 10 40 HGCB COc1cc(/C=C2/SC(=S)N(c3ccc(C(=O)O)c(O)c3)C2=O)ccc1O 27530313 RMGSVUSWSIMZLH-VIZOYTHASA-N 403.437 3.210 10 40 HGCB COc1ccc(-c2nnsc2C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 36358141 LZLIAJUFPLSCEL-UHFFFAOYSA-N 410.499 3.185 10 40 HGCB CC(C)CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(C(C)C)cc3)C(=O)N=C2S1 41085280 VJZFGQGGBGBIRH-HSFPQDBWSA-N 418.544 3.457 10 40 HGCB COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)/C1=C\c1ccc(C(=O)O)cc1 409376815 DCYBHLYZYPMXCM-ODLFYWEKSA-N 405.406 3.465 10 40 HGCB CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)ccc1OCc1cccc(F)c1 4599699 HAKUHTJWOZXTEV-MHWRWJLKSA-N 414.458 3.060 10 40 HGCB COc1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)cc([N+](=O)[O-])c1O 14011058 PAEPGGWBQDADDM-WUXMJOGZSA-N 417.761 3.469 10 40 HGCB C[C@H](C(=O)NCCc1c[nH]cn1)N1C(=O)/C(=C/c2ccccc2Cl)SC1=S 33583493 PBPZVVYPXRTQQN-SHLUWWQESA-N 420.947 3.012 10 40 HGCB CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)cc1 260572547 BDQPRLWQBUQWNM-INIZCTEOSA-N 401.532 3.360 10 40 HGCB COc1ccc(CCN2C(=O)/C(=C\c3ccsc3)C(=O)N=C2S)cc1OC 6078752 DLCWVPVFHVFADU-ZROIWOOFSA-N 402.497 3.046 10 40 HGCB COc1ccc(N2CCN([C@H](c3ccccc3)c3nnnn3C(C)(C)C)CC2)cc1 20139238 RWTMIMOBLIBHLD-OAQYLSRUSA-N 406.534 3.348 10 40 HGCB COc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1 408951821 KEYWGDLVFSLCIH-XSFVSMFZSA-N 401.422 3.461 10 40 HGCB COC(=O)C1=C(C)N(C)C2=S=C(c3ccccc3)C(=O)N2[C@H]1c1cccc(OC)c1 584905977 PVKLGNGJYPJJOK-IBGZPJMESA-N 422.506 3.012 10 40 HGCB COc1ccc(N2CCN(C3=NC(=O)/C(=C/c4cccc(OC)c4)S3)CC2)cc1 7499890 JFANGSVJSBMZCT-HKWRFOASSA-N 409.511 3.496 10 40 HGCB Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(O)cc2)C(=O)NC1=S 408741998 OUORLNPCCALAPK-NTEUORMPSA-N 417.284 3.294 10 40 HGCB COc1cccc(/C=C2\SC(=S)N(CCC(=O)Nc3nnc(C)s3)C2=O)c1 1786610 XVPOFNXCPFYEGR-LCYFTJDESA-N 420.541 3.085 10 40 HGCB Cc1nn(-c2ccccc2)c(O)c1/C=C1\SC(=S)N(C[C@H]2CCCO2)C1=O 20458663 LHFTZUAKVDSOND-KWZJRMENSA-N 401.513 3.267 10 40 HGCB CCc1ccccc1NC(=O)N/C=C1\C(=O)NC(=O)N(c2cc(C)ccc2C)C1=O 408536299 VXTSGZBZEGQTLD-FOWTUZBSSA-N 406.442 3.154 10 40 HGCB Cc1c(O)nc2ccccc2c1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 1634350997 LZMBKIOOQSSLKN-UHFFFAOYSA-N 405.498 3.388 10 40 HGCB COc1ccc(CC2=NN3C(=N)/C(=C/c4ccc(O)cc4)C(=O)N=C3S2)cc1OC 9312603 QAGGQPSVZFGYGH-RBJHLIOGSA-N 422.466 3.271 10 40 HGCB O=C(NN1C(=O)/C(=C/c2ccnc3ccccc23)SC1=S)c1ccc(O)cc1 13733750 MYUFWLPXSFDOJE-BOPFTXTBSA-N 407.476 3.487 10 40 HGCB CNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 225413389 OVRWGJXNSIAVRC-KRWDZBQOSA-N 415.559 3.322 10 40 HGCB CCOc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3cc(C)ccc3C)C1=O)OCO2 409240702 QYQRXENSORPOMT-OVCLIPMQSA-N 424.478 3.262 10 40 HGCB Cc1cc(C(=O)COC(=O)c2ccc(-n3cnnn3)cc2)c(C)n1-c1cccc(F)c1 3555259 CUIHSPFWMCVPRO-UHFFFAOYSA-N 419.416 3.249 10 40 HGCB O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(Br)cc1 6526622 GNVXUYWHOOZUMC-ZROIWOOFSA-N 405.248 3.420 10 40 HGCB COc1ccc(N2CCN([C@@H]3CC(=O)N(c4ccc(C)c(Cl)c4)C3=O)CC2)cc1 25480756 GOGXQTKCZRQCQO-HXUWFJFHSA-N 413.905 3.111 10 40 HGCB O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C/C(Cl)=C/c2ccccc2)SC1=S 54152855 BNCGAKWUQJEJFG-JDUVVHMJSA-N 411.888 3.329 10 40 HGCB COc1ccc(Cl)cc1-n1c(C)cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c1C 59139643 DQJHIHFCHRGDLN-UHFFFAOYSA-N 417.918 3.355 10 40 HGCB CN(Cc1ccccc1)Cc1cc(CC2(NCc3ccc(N(C)C)cc3)COC2)no1 67898110 USGRLESJRRKCCC-UHFFFAOYSA-N 420.557 3.474 10 40 HGCB biogenic,in-vitro COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1cccnc1 100423409 NTENVWPETHUKKX-PDGQHHTCSA-N 407.455 3.343 10 40 HGCB CC1CCN(c2ccc([C@H](C)NC(=O)CCN3C(=O)[C@H]4CC=CC[C@H]4C3=O)cc2)CC1 219018714 ZIWBBZRTTCJSQD-YUXAGFNASA-N 423.557 3.441 10 40 HGCB CCOC(=O)c1cccc(-c2ccc(/C=C3/SC(=S)N(CC(=O)O)C3=O)o2)c1 9310496 CSULVOUXVCPKRR-OQLLNIDSSA-N 417.464 3.409 10 40 HGCB COC(=O)c1[nH]c2ccccc2c1/C=C1/SC(=S)N([C@H](C(=O)O)C(C)C)C1=O 13730944 XOKDJJLUVGFNIQ-NRUITVPNSA-N 418.496 3.265 10 40 HGCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(O)c(Cl)c1 15012459 YBDBHZRGLFIUFV-GHXNOFRVSA-N 421.634 3.475 10 40 HGCB COc1ccc(C(=O)Oc2ccc(/C=C3\SC(=S)NC3=O)cc2OC)cc1 19720097 RRAJUDDTJCNOPQ-YBEGLDIGSA-N 401.465 3.412 10 40 HGCB CN1CCN(c2ccc(CNC(=O)COc3ccc(Cl)cc3Cl)cc2)CC1 216925306 HEDOZNHZPKYYLY-UHFFFAOYSA-N 408.329 3.440 10 40 HGCB Cc1ccc2nc(NCc3ccco3)c(/C=C3/SC(=S)N(C)C3=O)c(=O)n2c1 1103797 ZHMMXXWJZCDPKX-RIYZIHGNSA-N 412.496 3.039 10 40 HGCB Cc1ccc(/C=C/C(=O)N(Cc2ccc(N(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 2359182 ALKMXPCUXMFZSZ-KCQSEKJDSA-N 412.555 3.290 10 40 HGCB CCOc1c(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1OC 33773562 VOIAILSWGFWVDM-XNTDXEJSSA-N 417.259 3.318 10 40 HGCB COc1ccc(N2CCN(C(=O)CSc3nnc(-c4ccccc4)o3)CC2)cc1 882228 FQYFATXEOLALRW-UHFFFAOYSA-N 410.499 3.186 10 40 HGCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OC 408819960 ZSKCLBLAWXVEJL-RIYZIHGNSA-N 416.817 3.119 10 40 HGCB O=C(NN1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S)c1ccccc1O 6496383 RYJUOJYWPGJMKS-YVLHZVERSA-N 410.476 3.257 10 40 HGCB COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCc1ccc(C)c(C)c1 408798475 FLPONNXYOLIVNP-UHFFFAOYSA-N 414.845 3.294 10 40 HGCB O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\Nc1cccc([N+](=O)[O-])c1 408550289 FPLBTVQSIJTJII-WQLSENKSSA-N 420.809 3.131 10 40 HGCB O=C1/C(=C/c2cc(Br)c3c(c2)OCO3)NC(=S)N1Cc1ccco1 15254345 SXMLDNJKDHVSCF-XGICHPGQSA-N 407.245 3.029 10 40 HGCB COc1cc(/C=C2/SC(=S)N([C@H](C(=O)O)C(C)C)C2=O)cc(OC)c1OC 17113037 DGPMJDOZYMZMNL-CZAWJFPGSA-N 411.501 3.023 10 40 HGCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\Nc1ccc(Br)cn1 17281755 FTUCKSITLSRTJP-WQLSENKSSA-N 421.638 3.076 10 40 HGCB COc1cc(/C=C2\SC(=S)N(c3ccc(O)c(C(=O)O)c3)C2=O)ccc1O 4356721 LGFSGPBOQHOTKH-CHHVJCJISA-N 403.437 3.210 10 40 HGCB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)COc2ccc([N+](=O)[O-])cc2)cc1 8846115 CSTOBOROCKOEST-NRFANRHFSA-N 413.474 3.247 10 40 HGCB O=C(O)CN1C(=O)/C(=C/c2ccc(OCCOc3ccccc3)cc2)SC1=S 409338564 MDLGCXQDFYKMPL-ATVHPVEESA-N 415.492 3.430 10 40 HGCB CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCC(=O)NCCCC(=O)O)C1=O 5374991 SHKYUEJFGCVOLU-ZAVUQCBESA-N 418.540 3.205 10 40 HGCB COc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)cc1 10326967 FJUANCLTOAFHJM-UHFFFAOYSA-N 407.392 3.001 10 40 HGCB COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCO)c2C)c1 223578688 PFZXEUHVJHHLMZ-VXKWHMMOSA-N 422.554 3.463 10 40 HGCB CCCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(C(=O)OCC)cc2)C1=O 408803524 QBPSANMIKHZKTD-NBVRZTHBSA-N 422.437 3.319 10 40 HGCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)ccc1O 408893103 FMPMQFWOEUQOKH-NTUHNPAUSA-N 421.634 3.475 10 40 HGCB CN(c1ccccc1)N1C(=O)/C(=C/c2ccccc2OCC(=O)O)SC1=S 2203645 PWZSNIRVRPNKBX-WJDWOHSUSA-N 400.481 3.403 10 40 HGCB Cc1ccc(-n2c(C)cc(C(=O)OCC(=O)Nc3ccc(C(N)=O)cc3)c2C)cc1 4500217 DVETVLDMJDBIDO-UHFFFAOYSA-N 405.454 3.297 10 40 HGCB COc1ccc(C=C2C(=O)NC(=O)NC2=O)c(OCc2ccc(Cl)c(Cl)c2)c1 408806490 DZNMPGLQHMQTQJ-UHFFFAOYSA-N 421.236 3.330 10 40 HGCB Cc1ccc(N2C=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccccc32)cc1Cl 48988557 FGNMDWAKUJGLQB-UHFFFAOYSA-N 418.902 3.274 10 40 HGCB COc1ccc(/C=C2\SC(N3CCN(c4ccccc4)CC3)=NC2=O)cc1OC 16693389 ROGZPEOXZROKIB-HKWRFOASSA-N 409.511 3.496 10 40 HGCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)ccc1OC 408804265 WPXPFMVHBOLNSW-JLHYYAGUSA-N 400.818 3.414 10 40 HGCB O=C1NC(=O)C(=Cc2cc(Cl)cc(Cl)c2OCc2cccc(F)c2)C(=O)N1 409046243 JSEAJPFLBUMAJA-UHFFFAOYSA-N 409.200 3.461 10 40 HGCB CCN(CC)C(=O)CN1C(=O)[C@]2(NN=C(c3ccc(C)cc3)S2)c2ccccc21 2478143 HYGFCLWBXWGVTQ-QFIPXVFZSA-N 408.527 3.061 10 40 HGCB O=C1c2ccccc2C(=O)c2c1ccc(C(=O)NCCc1ccc(F)cc1)c2[N+](=O)[O-] 9059163 WNSBFGZRCRGVGD-UHFFFAOYSA-N 418.380 3.482 10 40 HGCB O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1CC(=O)N1CCCC[C@H]1CCO 13576257 RQVCHUOCVVIXSQ-CNYBTUBUSA-N 424.975 3.305 10 40 HGCB O=C(O)COc1ccccc1/C=C1/SC(=S)N(c2ccc3c(c2)OCO3)C1=O 16909853 OZVQKMDXXDSRAZ-FRKPEAEDSA-N 415.448 3.285 10 40 HGCB COc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccc(O)cc2)C(=O)NC1=S 665466 VVNQXJUUIQEWPX-GHRIWEEISA-N 419.462 3.023 10 40 HGCB COc1ccc(OC)c(-n2c(C)cc(/C=C3\C(=N)N4N=CSC4=NC3=O)c2C)c1 4641850 GVZRNDLRHXKXBN-SVQIGFJBSA-N 409.471 3.360 10 40 HGCB COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cccc(O)c3)C2=O)cc1 8022598 FEIUTYOLCDWAJL-SXGWCWSVSA-N 400.481 3.241 10 40 HGCB Cc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc2n1CC(=O)OC(C)C 107745737 VZKQSCGNIQOFLI-MOSHPQCFSA-N 417.465 3.363 10 40 HGCB C[C@H]1C[C@@H](C)CN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C)C2=O)C1 26531884 VAXFLKLHGTWBSX-WZVUHYRNSA-N 414.556 3.008 10 40 HGCB Cc1cc(-c2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)o2)ccc1Br 59109591 YTUAPIVWCWKRMD-UHFFFAOYSA-N 403.232 3.451 10 40 HGCB Cc1c(C(=O)O)cccc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)o1 409392370 LSPPROYQISBYNS-GZTJUZNOSA-N 417.377 3.015 10 40 HGCB O=C1CCOC[C@]2(CN(Cc3ccc(N4CCCC4)cc3)C[C@H]2c2ccccc2)N1 19373773 UPGNMXJBQNJKMP-ZCYQVOJMSA-N 405.542 3.162 10 40 HGCB CNC(=O)c1ccccc1NC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C 46332601 HPSRDYZAQWHLIY-UHFFFAOYSA-N 405.454 3.477 10 40 HGCB CN(C(=O)c1c[nH]nc1[C@H]1CCCN(C(=O)C[C@H]2CCCCN2C)C1)c1ccccc1 257332995 XZPKEJZGWOVXMS-AZUAARDMSA-N 423.561 3.267 10 40 HGCB Cc1nn(Cc2ccccc2)c(C)c1N/C=C1/C(=O)NC(=O)N(c2ccccc2)C1=O 59858869 ZBXMUPDTQOXVRQ-UYRXBGFRSA-N 415.453 3.127 10 40 HGCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\Nc3nc4ccc(C)cc4s3)C2=O)cc1 408528176 FKMNVQYHZMQACR-RVDMUPIBSA-N 422.466 3.582 10 40 HGCB CCCCOc1ccc(/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1 4811813 NIVCCKGCLQZNTR-HNDQUVLASA-N 411.570 3.254 10 40 HGCB Cc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1cccc(O)c1 13539870 OLCVDZMPUUHDMZ-MTJSOVHGSA-N 415.449 3.462 10 40 HGCB O=C(O)c1cc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)ccc1O 27530379 VGRLLQCDIPPIMD-GIDUJCDVSA-N 401.421 3.225 10 40 HGCB O=C1N=C(O)/C(=C/c2ccc(O)c(O)c2)C(=O)N1c1ccc(Br)cc1 34235801 CCCMYHPRPLNOQD-GHXNOFRVSA-N 403.188 3.367 10 40 HGCB COc1ccc(N2CCN(C[C@@H](O)CO[C@@H]3C(C)(C)[C@@H]4CC[C@@]3(C)C4)CC2)cc1 56903214 WEAXTKZCSPKKGW-YWWGLXIYSA-N 402.579 3.410 10 40 HGCB COC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)c1 223864793 RUCWTGUHZQYZBX-MRXNPFEDSA-N 416.543 3.496 10 40 HGCB CC(C)OC(=O)c1ccc(Cl)cc1-c1ccc(C=C2C(=O)NC(=S)NC2=O)o1 409192512 DNWVHBREBMODJV-UHFFFAOYSA-N 418.858 3.080 10 40 HGCB Cc1cccc(C)c1NC(=S)NNc1nc(N2CCCC2)nc(N2CCCC2)n1 4331125 GRECJMHEMWXNAG-UHFFFAOYSA-N 412.567 3.002 10 40 HGCB Cc1cc(C)c(O)c(CN2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)c1 13097977 YTNPTQGMTXXHPN-UHFFFAOYSA-N 414.571 3.394 10 40 HGCB CN1/C(=C2/C(=O)N(c3ccccc3)N=C2NC(=O)C(F)(F)F)Sc2ccccc21 100984067 KWJMLHXOVFWZIY-VKAVYKQESA-N 418.400 3.479 10 40 HGCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccccn1 223607615 ZUJFIFVOTLXDDB-NHCUHLMSSA-N 407.543 3.239 10 40 HGCB O=C(O)COc1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1Cl 409086665 AHYHYOFSMMWKNU-DKTFCQPKSA-N 413.904 3.184 10 40 HGCB COc1ccc(N2CCN(C(=O)CSc3nnc(-c4cccc(C)c4)o3)CC2)cc1 882257 BTKAJRKSVDYZCY-UHFFFAOYSA-N 424.526 3.495 10 40 HGCB CCOc1ccc(N2C[C@@](O)(c3ccc(OC)cc3F)[N+]3=C2SCCC3)cc1 2965995 YWGBHPUTEGBGFF-OAQYLSRUSA-N 403.499 3.404 10 40 HGCB CCc1ccc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)cc1 5253200 FWGHEJQHYOUIDF-KBQFJHCTSA-N 409.515 3.271 10 40 HGCB Cc1ccc(N2C(=O)/C(=C/c3ccc(Br)o3)C(=O)NC2=S)c(C)c1 409131905 PNRQTHSRVZOYDL-XYOKQWHBSA-N 405.273 3.490 10 40 HGCB CN(C)CCCOc1ccc(OCCCN(C)C)c2c1C(=O)c1ccccc1C2=O 4783344 GGYJBLLDZHXFMM-UHFFFAOYSA-N 410.514 3.123 10 40 HGCB Cc1cccc(N2C(=O)/C(=C\NNc3ccc(Br)cc3)C(=O)N=C2O)c1 16349460 KPBYUGOIFVQFNV-GDNBJRDFSA-N 415.247 3.045 10 40 HGCB Cc1cc2nc(C3CCN(Cc4ccc(N5CCOCC5)cc4C)CC3)cc(N)n2n1 72337314 ADKZHDUAQNKFRY-UHFFFAOYSA-N 420.561 3.145 10 40 HGCB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ccccc1C(=O)OC 100423681 LASJJVUJGXPARK-ZHZULCJRSA-N 407.426 3.125 10 40 HGCB CN1C(=O)/C(=C/c2ccc(C(=O)N(CCO)Cc3ccccc3)cc2)SC1=S 5374698 BSXMWHVMHFUCQB-AQTBWJFISA-N 412.536 3.152 10 40 HGCB C[C@H](C(=O)N1CCCC[C@@H]1CCO)N1C(=O)/C(=C/c2cccs2)SC1=S 6660950 ONSBQOPWWHENMZ-VVKGIKJRSA-N 410.586 3.101 10 40 HGCB COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)c(OC)c1 13785105 RGUWEGKUTKRPCN-YBEGLDIGSA-N 400.481 3.250 10 40 HGCB Cc1ccccc1N1C(=O)N=C(O)/C(=C/NN2CCCC[C@@H]2c2cccnc2)C1=O 20391469 CIYJBNZKEXNPPH-RBAUTDOXSA-N 405.458 3.429 10 40 HGCB COc1ccc(N(CCC(N)=O)C[C@@H](O)COc2c(Cl)cccc2Cl)cc1 21327867 NOYRCQCNLMEUFJ-CQSZACIVSA-N 413.301 3.124 10 40 HGCB CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1cc(Cl)cc(S(=O)(=O)O)c1O 100119359 LSFNRVBPDLEXDS-IWHJNQCMSA-N 408.823 3.167 10 40 HGCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1OC 408818881 YQZJLIHRTPAIBU-UKTHLTGXSA-N 400.818 3.332 10 40 HGCB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(/N=N\c4ccccc4)cc3)C(=O)[C@H]12 409278420 DYHWWVNHNDKJDG-ZDNQFGGZSA-N 417.421 3.478 10 40 HGCB CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCc1ccccc1F 1024474 BOXMWHFWHBMPMV-UHFFFAOYSA-N 412.417 3.237 10 40 HGCB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1c(O)ccc2ccccc12 3307602 DXKUZRNURNZDIK-UHFFFAOYSA-N 405.498 3.453 10 40 HGCB O=C(CCCN1C(=O)/C(=C/c2ccco2)SC1=S)NCCc1ccc(O)cc1 5352399 YXZVHLIHQDAOJL-LGMDPLHJSA-N 416.524 3.326 10 40 HGCB COc1ccc(N2C(=O)/C(=C/c3cc(Cl)ccc3OC)C(=O)NC2=S)cc1 6181960 SIGONBQXBIIETG-XNTDXEJSSA-N 402.859 3.189 10 40 HGCB COc1ccc(OC)c(N2C(=O)/C(=C\c3cn(C)c4ccccc34)C(=O)N=C2O)c1 8995413 MTCKWCIOJAOOLD-YBEGLDIGSA-N 405.410 3.066 10 40 HGCB CCOc1cc(/C=C2\SC(=S)N([C@H](CCSC)C(=O)O)C2=O)ccc1O 13661167 WBPHXDQRAIJKJY-RLIURORJSA-N 413.542 3.198 10 40 HGCB C[C@@H](NS(=O)(=O)c1ccc2oc(=O)[nH]c2c1)c1ccc(N2CCCCC2)cc1 19716057 DXLNSLLKYYGZBI-CQSZACIVSA-N 401.488 3.151 10 40 HGCB COc1ccc(N2CCN(c3ncnc4c3cnn4-c3ccc(F)cc3)CC2)cc1 8582981 XJWWATVFZGZLLU-UHFFFAOYSA-N 404.449 3.290 10 40 HGCB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)o1 9323976 HVLMQQSNZPCMEK-YVLHZVERSA-N 420.377 3.208 10 40 HGCB C[C@H](C(=O)NCCc1ccc(O)cc1)N1C(=O)/C(=C\c2cccs2)SC1=S 9429946 JAZNXQBSLTZQLN-PILJQMSFSA-N 418.565 3.402 10 40 HGCB CN(C)c1ccc(CNC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 12606987 RZPAQQSDZTVOKY-UHFFFAOYSA-N 410.543 3.178 10 40 HGCB COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NC1CCCCCC1 17089835 PZSPZTIICSKASW-ZHZULCJRSA-N 414.462 3.447 10 40 HGCB Cc1cc(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)c(C)n1-c1ccccn1 84081385 LOJCHFPTHSABOL-UHFFFAOYSA-N 404.470 3.214 10 40 HGCB COc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccccc4O)[C@H]3C2=O)cc1 100870201 YSVKRYZWYMEBMB-VSKRKVRLSA-N 416.433 3.452 10 40 HGCB Cc1cc(OCC(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc(C)c1Cl 217011031 GZKLFEHRQHSGOO-UHFFFAOYSA-N 401.938 3.404 10 40 HGCB O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 4672169 SDPAUUHGIMFUTG-UHFFFAOYSA-N 407.278 3.487 10 40 HGCB CN(C)c1ccc(CN(C(=O)c2ccccc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 4163981 PYOXSWVJMIUTOZ-QGZVFWFLSA-N 406.935 3.236 10 40 HGCB O=Cc1ccc(/C=C2\SC(=S)N(c3cc(C(=O)O)cc(C(=O)O)c3)C2=O)cc1 8828325 PCKCTUWXNBUKLE-WCSRMQSCSA-N 413.432 3.301 10 40 HGCB CCN1CCN(Cc2c(O)ccc3cc(-c4ccc(OC)cc4OC)c(=O)oc23)CC1 20612239 XILRXISASWXWGU-UHFFFAOYSA-N 424.497 3.320 10 40 HGCB biogenic COc1ccc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)cc1[N+](=O)[O-] 59135894 WBOSZYGRQDKAMH-DHZHZOJOSA-N 401.375 3.414 10 40 HGCB Nc1ccc(N(C(c2ccccc2)c2ccccc2)[C@@H]2CS(=O)(=O)C[C@H]2O)cc1 575422764 WLIBIMPWGOAEAQ-FGZHOGPDSA-N 408.523 3.023 10 40 HGCB O=C(CN1C(=O)N/C(=C\c2ccc(N3CCCCC3)cc2)C1=O)Nc1ccc(F)cc1 408962608 ZSCDVAPHGUYPKD-ZHZULCJRSA-N 422.460 3.347 10 40 HGCB CSC1=NSC2=NC(=O)/C(=C\c3ccc(N(C)C)c(Br)c3)C(=N)N12 4761545 XYDAIJRQWHNXLO-FUMQGXJOSA-N 424.349 3.455 10 40 HGCB O=C1NN(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(-c2ccc3c(c2)COC3=O)o1 4871461 KFWRAQFSFXZXJK-ZDLGFXPLSA-N 404.353 3.218 10 40 HGCB CCOc1ccc([C@@]2(O)CN(c3cc(OC)ccc3OC)C3=[N+]2CCCS3)cc1 17307535 HOWZFTJCBKEUNE-QFIPXVFZSA-N 415.535 3.273 10 40 HGCB COc1ccc(-c2c(C)c3ccc(O)c(CN4CCN(C)CC4)c3oc2=O)c(OC)c1 20756097 ZZTQRLOAILEKFU-UHFFFAOYSA-N 424.497 3.239 10 40 HGCB biogenic Cc1oc2c(CN(C)[C@@H]3CCS(=O)(=O)C3)c(O)ccc2c(=O)c1-c1ccccc1 32888276 ANXPUTJRWSTPPY-MRXNPFEDSA-N 413.495 3.093 10 40 HGCB CC(C)c1ccc(/C=C2\SC(=S)N(CC(=O)N3CCC[C@H]3C(=O)O)C2=O)cc1 5214651 ZWJFWVOPCBINIL-HEUOVEHFSA-N 418.540 3.087 10 40 HGCB Cc1ccc(NC(=S)N/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1C 408526221 BCVVMBRWVUMWTC-LFIBNONCSA-N 408.483 3.065 10 40 HGCB O=C(CN1C(=O)S/C(=C/c2ccc(N3CCCCC3)cc2F)C1=O)N1CCCC1 408551953 POXRLWVXDKVOEP-LDADJPATSA-N 417.506 3.475 10 40 HGCB COc1ccc(CN[C@@H]2CCC(=O)N[C@H]2c2cccc(F)c2)cc1Cn1ccnc1 19559503 KSRPXTSLEKWMTF-OFNKIYASSA-N 408.477 3.189 10 40 HGCB CN1C(=O)C(=Cc2cn(Cc3ccccc3F)c3ccccc23)C(=O)N(C)C1=S 954522 UFVAEXMZCFAXCK-UHFFFAOYSA-N 407.470 3.427 10 40 HGCB O=C(NN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)c1cccc([N+](=O)[O-])c1 1476272 OIBKSLFUDDTYPO-ZSOIEALJSA-N 403.416 3.280 10 40 HGCB O=C(O)c1cc(N2C(=O)/C(=C\c3ccc4c(c3)OCCO4)SC2=S)ccc1O 13572250 OAZVDTOIMLRSDO-LZYBPNLTSA-N 415.448 3.267 10 40 HGCB COc1cc(/C=C2/SC(=S)NC2=O)ccc1OCC(=O)Nc1ccccc1 14903967 XSJBNYTXHBQJNS-MHWRWJLKSA-N 400.481 3.202 10 40 HGCB COCCCN/C(C)=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccc(OC)cc1 112290997 AYFDQOYZVQYKHT-HKWRFOASSA-N 424.457 3.254 10 40 HGCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc2c(cc1Cl)OCO2 408897403 JFFKEWJIIQCUGX-LFYBBSHMSA-N 405.193 3.389 10 40 HGCB CCN(CC)c1ccc(N/C=C2\C(=O)NC(=O)N(CCc3ccc(F)cc3)C2=O)cc1 2355215 ANHHIAHJNNXTTE-HMMYKYKNSA-N 424.476 3.289 10 40 HGCB Cc1cc(C(=O)CN2C(=O)c3ccccc3C2=O)c(C)n1-c1ccc2c(c1)OCCO2 2645659 SKZPGQALJLTCHO-UHFFFAOYSA-N 416.433 3.344 10 40 HGCB COc1ccc(N2CCN(S(=O)(=O)c3cc(C(C)C)ccc3OC)CC2)cc1 48044480 RKBWOWMFIMWUFP-UHFFFAOYSA-N 404.532 3.338 10 40 HGCB COC(=O)c1ccc(-n2c(C)cc(C(=O)CN3C(=O)[C@H]4CCCC[C@H]4C3=O)c2C)cc1 102115898 RRQAZVGSWUBSIT-KDURUIRLSA-N 422.481 3.239 10 40 HGCB CN(C(=O)c1c[nH]nc1[C@H]1CCCN(C(=O)C[C@H]2CCCCO2)C1)c1ccccc1 257286058 PKAODSUNAMEZDW-PKOBYXMFSA-N 410.518 3.352 10 40 HGCB CCOc1cccc(N2C(=O)/C(=C/c3ccc(N(CC)CC)o3)C(=O)NC2=S)c1 408817577 LVWFSGHJBZJHHD-GHRIWEEISA-N 413.499 3.356 10 40 HGCB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N(C)C)c(C)c1 9135450 FWVINLWGTWCGSC-QFIPXVFZSA-N 408.546 3.043 10 40 HGCB COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)NCCc2c[nH]cn2)cc1 95483242 HYVRMLNQRSNFSH-PGMHBOJBSA-N 401.470 3.276 10 40 HGCB CCc1cc(CN2CCN(CC(=O)N3CCCCC3)CC2)c(O)c(C(C)(C)C)c1 40019901 CWWNJNDFMLHCTN-UHFFFAOYSA-N 401.595 3.382 10 40 HGCB CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc2c(c1)C(=O)N(C)C2=O 72304698 IHSFKPVZOPIZCE-UHFFFAOYSA-N 417.259 3.043 10 40 HGCB COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1cccc(OC)c1O 408893803 NFYQIXCYVBWJDG-PDGQHHTCSA-N 409.438 3.282 10 40 HGCB O=C(O)COc1ccc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc1Cl 409128809 KYHNHFCAQIFREJ-DHDCSXOGSA-N 416.842 3.204 10 40 HGCB C[C@@H](C(=O)O)n1ccc2cc(/C=C3\C(=O)NC(=O)N(c4cccc(F)c4)C3=O)ccc21 409192168 BBGOXBUEPLFOTK-VAKHEIKFSA-N 421.384 3.092 10 40 HGCB COc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc([N+](=O)[O-])c1O 409207208 QLSVHESSPKFIKA-RIYZIHGNSA-N 405.457 3.265 10 40 HGCB COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(C(=O)O)cc1 8872612 WVUQFDPMPPOBTI-BOPFTXTBSA-N 423.421 3.279 10 40 HGCB COc1ccc(N2CCN(C(=O)[C@H](NC(=O)[C@@H]3CCCC[C@@H]3C)C(C)C)CC2)cc1 13942073 AFIXIVAVUFHZSE-VLCRHTCISA-N 415.578 3.311 10 40 HGCB Cc1cc(C(=O)CN(C)Cc2ccccc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 57439236 OOMXMVJREKLYFU-UHFFFAOYSA-N 411.527 3.056 10 40 HGCB CCCC[C@@H](c1nnnn1Cc1ccco1)N1CCN(c2ccc(OC)cc2)CC1 57671223 JBWLGZOITTUXCR-NRFANRHFSA-N 410.522 3.377 10 40 HGCB C[C@H](C(=O)O)n1ccc2cc(/C=C3\C(=O)NC(=O)N(c4cccc(F)c4)C3=O)ccc21 409192171 BBGOXBUEPLFOTK-YXHQGMJNSA-N 421.384 3.092 10 40 HGCB CC(C)CCNC(=O)COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O 6460336 KLANCSKDLIBLDZ-UHFFFAOYSA-N 413.857 3.435 10 40 HGCB CCOc1cc(/C=C2\SC(=S)N([C@@H](CCSC)C(=O)O)C2=O)ccc1O 13661164 WBPHXDQRAIJKJY-HOXUKUGESA-N 413.542 3.198 10 40 HGCB COC(=O)c1cccc(-c2ccc(/C=C3\C(=O)NN(c4ccc(F)cc4)C3=O)o2)c1 33348836 VMUABXCZPFHGKI-LDADJPATSA-N 406.369 3.334 10 40 HGCB CCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2cc(OC)c(OC)c(OC)c2)SC1=S 33778458 VSNWNAOMMGEYDN-LUHPIMIVSA-N 411.501 3.167 10 40 HGCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2cc(C)c([N+](=O)[O-])cc2C)C1=O 408534270 QAJXPBTYQYGACV-RVDMUPIBSA-N 408.414 3.353 10 40 HGCB CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc3c(c2)OCO3)C1=O 409108940 ZPKFSSWGTFNCLN-RIYZIHGNSA-N 414.801 3.134 10 40 HGCB O=C(CN1C(=O)S/C(=C/c2ccc(O)c(O)c2)C1=O)Nc1cccc(Cl)c1 409151999 IYNQQUUSIRQFST-VIZOYTHASA-N 404.831 3.426 10 40 HGCB CN(C)c1ccc(/C=C2\C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)cc1 4548481 LVAXXAFEOCORQP-KDAGATOZSA-N 405.483 3.451 10 40 HGCB CCN1C(=O)/C(=C/c2cn(CC(=O)N3CCCCC3)c3ccccc23)C(O)=NC1=S 59182276 FPTKTJVZIIJCOW-SFQUDFHCSA-N 424.526 3.141 10 40 HGCB Cn1cc([C@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)cn1 96115580 FYNQLTFWPOMIQX-CYBMUJFWSA-N 404.378 3.046 10 40 HGCB biogenic CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCc1cccc(Cl)c1 408867911 KPJPNTBLFJLQTC-UHFFFAOYSA-N 416.886 3.232 10 40 HGCB Cc1cc(C(=O)COC(=O)c2nc3nccc(C)n3n2)c(C)n1-c1ccc(F)cc1 3398718 KBFZHSLPCHLVGR-UHFFFAOYSA-N 407.405 3.019 10 40 HGCB COc1ccc(C2(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)CCOCC2)cc1 19661473 USOUCRVCUKRRKT-IBGZPJMESA-N 424.541 3.457 10 40 HGCB CCOc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1OC 33773561 VOIAILSWGFWVDM-GDNBJRDFSA-N 417.259 3.318 10 40 HGCB CCOC(=O)c1ccc(C)c(NC(=S)NCc2ccc(N3CCOCC3)cc2)c1 225421247 HALWIVHKFAIISJ-UHFFFAOYSA-N 413.543 3.495 10 40 HGCB CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(N4CCOCC4)=NC3=O)o2)cc1 5871406 QLIKSBHKYCULNF-QGOAFFKASA-N 412.467 3.426 10 40 HGCB COc1ccc(N2C(=O)N=C(O)/C(=C\NN3CCCC[C@@H]3c3cccnc3)C2=O)cc1 8994346 HETXIURXTGWMII-YWXUCKCNSA-N 421.457 3.129 10 40 HGCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(OC[C@H]2CCCO2)cc1 24192648 OAJZPKJOOHCQKT-HSZRJFAPSA-N 410.514 3.353 10 40 HGCB CC(=O)N1CCN(C(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)CC1 32906303 FYBRWHXAEFIEHB-UHFFFAOYSA-N 404.308 3.161 10 40 HGCB COc1cccc(C(=O)Oc2ccc(/C=C3\C(=N)N4OC(C)=CC4=NC3=O)cc2)c1 41078393 YCWXGVHMMXUBRI-FNGBSHHDSA-N 403.394 3.365 10 40 HGCB COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(OC)cc4OC)[nH]n3)CC2)cc1 57477158 UVQPGVWYRHCHPY-UHFFFAOYSA-N 422.485 3.065 10 40 HGCB COc1ccc(N2CCN(C[C@@H](O)CO[C@@H]3C(C)(C)[C@@H]4CC[C@]3(C)C4)CC2)cc1 100752399 WEAXTKZCSPKKGW-ZISUOPPCSA-N 402.579 3.410 10 40 HGCB O=C1/C(=C\c2cccnc2)SC(=S)N1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 8870253 VFYRHQCDOASOJQ-AWNIVKPZSA-N 403.401 3.126 10 40 HGCB COc1ccc2c(/C=C3\SC(=S)N(NC(=O)c4ccncc4)C3=O)c[nH]c2c1 13728487 RGLQCHHEFUKWNK-PXNMLYILSA-N 410.480 3.118 10 40 HGCB CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Br)c1OCC 408763711 UJCYHCBOZNWWSC-JYRVWZFOSA-N 413.293 3.353 10 40 HGCB CC1CCN(C2=NN3C(=N)/C(=C/c4ccc(Br)o4)C(=O)N=C3S2)CC1 41084645 SKJZIGBULMEFBT-TWHPYUGFSA-N 422.308 3.351 10 40 HGCB COC(=O)c1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)cc1 1281120 MTWRYQJWGOQGLH-WJDWOHSUSA-N 412.492 3.328 10 40 HGCB CC[C@H](C)N1C(=O)/C(=C/c2c(N3CCCC3)nc3ccccn3c2=O)SC1=S 6355987 ROHXECVAWQJHNK-FRRXJZEGSA-N 414.556 3.294 10 40 HGCB CC1=NN(c2cccc3ccccc23)C(=O)/C1=C/NNS(=O)(=O)c1ccc(C)cc1 16310382 LKBYGYGFADBFAK-XSFVSMFZSA-N 420.494 3.238 10 40 HGCB O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccccc3)o2)SC1=S 10232814 WFAGJKVHVRKFGT-OJNRTJSBSA-N 417.464 3.466 10 40 HGCB O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccn(-c2ccc(F)cc2)n1 47293598 OVORBIKMADXKOX-UHFFFAOYSA-N 412.440 3.042 10 40 HGCB Cc1cc(C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c(C)n1-c1ccc(F)cc1 3373405 MCKRBGFRPZBHFV-UHFFFAOYSA-N 422.416 3.198 10 40 HGCB CCN(CC)c1ccc(CN(C(=O)c2cccs2)[C@H]2CCS(=O)(=O)C2)cc1 5249593 GRKZUKLCXASQRO-SFHVURJKSA-N 406.573 3.424 10 40 HGCB CC(C)CN1C(=O)/C(=C/c2c(N3CCCC3)nc3ccccn3c2=O)SC1=S 6357916 LKDDBBRTMGQXNI-PTNGSMBKSA-N 414.556 3.152 10 40 HGCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3c(Cl)cccc3Cl)C2=O)cc1 409200890 KEKCQTOTDUXERE-UKTHLTGXSA-N 419.220 3.446 10 40 HGCB O=C1NC(=S)NC(=O)C1=Cc1ccc(OCc2cccc(Cl)c2)c(Cl)c1 408868460 OKUNUXJTLIFFBK-UHFFFAOYSA-N 407.278 3.487 10 40 HGCB Cc1nnc(NC(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)s1 1737064 YZYABNHJUUFYPS-WQLSENKSSA-N 408.505 3.216 10 40 HGCB Cc1cc(C(=O)[C@H](C)OC(=O)c2ccc(-n3cnnn3)cc2)c(C)n1-c1ccccc1 6534587 ATWVTFFHLNGPNR-KRWDZBQOSA-N 415.453 3.498 10 40 HGCB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccccc3O)[C@H]2C(=O)N1Cc1ccccc1 100901368 HZUINGSLGSOXRQ-VSKRKVRLSA-N 400.434 3.439 10 40 HGCB Cc1c(N/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)ccc([N+](=O)[O-])c1C 408535679 ZOQXAXRPIZFTHV-FMIVXFBMSA-N 414.805 3.444 10 40 HGCB O=C(NN1C(=O)/C(=C/c2ccccn2)SC1=S)c1ccc(Br)cc1 8800108 UVXDLHDOZNNENM-LCYFTJDESA-N 420.313 3.390 10 40 HGCB Cc1cc(N2CCCC2)ccc1CN1CCc2c(nc(-c3ccccn3)[nH]c2=O)C1 12120692 GVWIVVKEVOESAT-UHFFFAOYSA-N 401.514 3.299 10 40 HGCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1cccn1Cc1ccc(F)cc1 13660053 VBISVHVJDSZPSP-UNOMPAQXSA-N 407.376 3.481 10 40 HGCB O=C(c1ccccc1)c1cc(Cl)ccc1NC(=S)NCCN1CCOCC1 19944170 UMHIRLGSZIBZAZ-UHFFFAOYSA-N 403.935 3.190 10 40 HGCB COc1ccc(N2CCN(CC(=O)Nc3ccc(Br)cc3F)CC2)cc1 57548429 CXYDOPIZYWTINW-UHFFFAOYSA-N 422.298 3.358 10 40 HGCB COc1ccc(N2CCN(C(=O)COc3cccc4ccccc34)CC2)c([N+](=O)[O-])c1 107619074 AEESXORIDDWCFE-UHFFFAOYSA-N 421.453 3.484 10 40 HGCB Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCO)c2C)nc1 223584520 QDBLISWQKNTSOY-NHCUHLMSSA-N 407.543 3.157 10 40 HGCB COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(C4CCCC4)C3=O)o2)c(C)c1 408692445 MROBKJDHIUVZSQ-LDADJPATSA-N 422.437 3.446 10 40 HGCB COc1cccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c1OC 409094253 CUMIOBUTJOWMBA-JLHYYAGUSA-N 416.886 3.497 10 40 HGCB O=C(NN1C(=O)/C(=C/c2cccc3cccnc23)SC1=S)c1ccccc1O 13691621 RCEFWZHKUNEZKH-WJDWOHSUSA-N 407.476 3.487 10 40 HGCB COC(=O)[C@@H](C)n1c(C)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc21 107745795 QHYYYNGRIHEKSZ-JPVKTXQWSA-N 403.438 3.145 10 40 HGCB COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCO)c2C)c1 223578573 PFZXEUHVJHHLMZ-YADHBBJMSA-N 422.554 3.463 10 40 HGCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(OC)c1C 409137872 WZTMCXQFEDWYIY-LFIBNONCSA-N 410.495 3.460 10 40 HGCB O=C1/C(=C/c2ccccc2F)SC(=S)N1CCC(=O)N1CCCC[C@H]1CCO 6660285 KRKYHZYBCPPKCW-SUCHYCSPSA-N 422.547 3.181 10 40 HGCB COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCc1cccc(OC)c1 9060328 HLOPEXYOARGJIR-STZFKDTASA-N 411.433 3.164 10 40 HGCB CC(C)COC(=O)c1sc2nc(N3CCOCC3)c3c(c2c1N)CC(C)(C)OC3 12437139 UKWVWYCZNXXJKR-UHFFFAOYSA-N 419.547 3.379 10 40 HGCB COc1ccc(/C=C2\C(=N)N3N=C(c4ccc(O)cc4)SC3=NC2=O)cc1OC 18119324 WEMDKZBNHGWGNP-OVDNTTTISA-N 408.439 3.077 10 40 HGCB CCOc1cc2c(cc1/C=C1/C(=O)NC(=S)N(c3ccc(CC)cc3)C1=O)OCO2 409093646 AXMYESZZUOHBOJ-SXGWCWSVSA-N 424.478 3.208 10 40 HGCB O=C(CN1C(=O)N/C(=C/c2ccc(N3CCCCC3)cc2)C1=O)Nc1ccccc1F 9264839 FETJONLFLRCEPF-XSFVSMFZSA-N 422.460 3.347 10 40 HGCB CSc1ccc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)cc1 20207103 QGLGJLNSGNJYFN-ILZPQDLUSA-N 422.557 3.056 10 40 HGCB C[C@H]1CN(c2ccc(CNC(=O)c3ccc(C(N)=S)cc3)cc2F)C[C@@H](C)O1 84713588 FQCLTEYFLKULCT-OKILXGFUSA-N 401.507 3.004 10 40 HGCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)c(OCC)c1 1201345 IOKJGRRHGGFUMU-LDADJPATSA-N 410.426 3.159 10 40 HGCB O=C1NC(=S)NC(=O)C1=Cc1ccc(Cc2cccc(F)c2)c(Br)c1 408868847 QEXFXOUVWMIXHS-UHFFFAOYSA-N 419.275 3.093 10 40 HGCB CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(CCOC)c3C)C(=O)NC2=S)cc1 409379331 WEYRKKMCXYNDQN-CPNJWEJPSA-N 411.527 3.145 10 40 HGCB COc1ccc(N2CCN(S(=O)(=O)c3nc(C)oc3-c3ccccc3)CC2)cc1 606422434 GMYPGQIEDHGKHN-UHFFFAOYSA-N 413.499 3.170 10 40 HGCB COc1ccc(OC)c(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(N(C)C)cc2)c1 909887 HXTTZNHXLFVWBN-FQEVSTJZSA-N 410.474 3.036 10 40 HGCB COc1ccc(N2CCN(C(=O)CCc3c(C)c4ccc(O)cc4oc3=O)CC2)cc1 9418955 LQTFQSNHSLMBJF-UHFFFAOYSA-N 422.481 3.097 10 40 HGCB CCOc1ccc(N2CCN(Cc3csc(N(C(C)=O)C4CC4)n3)CC2)cc1 89991139 LHZSRFVFXPDLHM-UHFFFAOYSA-N 400.548 3.379 10 40 HGCB CC(C)(C)NC(=O)CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 4263424 NXQMDFWOVUPJHX-GDNBJRDFSA-N 406.529 3.311 10 40 HGCB COCCCN/C(C)=C1\C(=O)N(c2ccc(OC)cc2)N=C1c1ccc(OC)cc1 4736946 XHSBSJUHIAEZTG-PGMHBOJBSA-N 409.486 3.355 10 40 HGCB Cc1cc(=O)n2c(n1)NC(N1CCc3ccccc31)=N[C@@H]2c1ccc(N(C)C)cc1 104279937 BGDUYNUHDWHOKW-NRFANRHFSA-N 400.486 3.009 10 40 HGCB Cc1ccc(N2NC(=O)/C(=C/c3ccc(Br)c([N+](=O)[O-])c3)C2=O)cc1C 33295702 YEFHOSARJKQBJJ-ZSOIEALJSA-N 416.231 3.436 10 40 HGCB O=C(CCCN1C(=O)/C(=C/c2ccccc2)SC1=S)NCCCn1ccnc1 6660760 MPGUSXRYOMFMCP-VKAVYKQESA-N 414.556 3.071 10 40 HGCB COc1cccc(Nc2cc(NCCO)c(N)c3c2C(=O)c2ccccc2C3=O)c1 6671913 VMRSGOKCKHTOQG-UHFFFAOYSA-N 403.438 3.201 10 40 HGCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1Cc1ccccc1F 408867168 JEPBRYYFINQATL-UHFFFAOYSA-N 402.809 3.218 10 40 HGCB COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 3071315 YLWOHZIZDREQJX-XNTDXEJSSA-N 415.452 3.150 10 40 HGCB Cc1c(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cccc1N1CCOCC1 19716593 VOWNSHDHOYRTDR-LJQANCHMSA-N 409.530 3.159 10 40 HGCB O=C1Nc2ccccc2/C1=C1/SC(=S)N(NC(=O)c2ccc(Cl)cc2)C1=O 40839752 DVTQOADJFSVUMD-YPKPFQOOSA-N 415.883 3.209 10 40 HGCB CCOC(=O)c1cccc(NC(=S)NCc2ccc(N3CCN(C)CC3)cc2)c1 225776850 VDEOHUVGGXWMAC-UHFFFAOYSA-N 412.559 3.102 10 40 HGCB O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccccc1C(=O)O 5529058 PGHPNBMZMIKPIE-MDWZMJQESA-N 404.494 3.286 10 40 HGCB CN1C(=O)/C(=C\c2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)SC1=S 8870015 HDQACXKQJWOLBV-XDJHFCHBSA-N 423.563 3.480 10 40 HGCB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=C1/C(=O)N=C(O)N(c2ccc(C)c(C)c2)C1=O 33417552 OPGWHUKWAMGKGS-GEBKJHSDSA-N 416.437 3.056 10 40 HGCB CCOc1ccc(C(=O)O)cc1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2C)C1=O 408830319 NZHUZLMJXGMYQS-LFIBNONCSA-N 408.410 3.067 10 40 HGCB Cc1cc(C(=O)[C@@H](C)OC(=O)c2cccc(-n3cnnn3)c2)c(C)n1-c1ccccc1 7735256 WTNJWUUQMVAUOX-QGZVFWFLSA-N 415.453 3.498 10 40 HGCB CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCn1nnc2ccccc2c1=O 9731591 ZAGCZNMHDODULD-UHFFFAOYSA-N 421.482 3.196 10 40 HGCB COc1cccc2ccc(/C=C3\SC(=S)N(NC(=O)c4cccnc4)C3=O)nc12 13730179 NZYBJLZIZHILDS-YBEGLDIGSA-N 422.491 3.185 10 40 HGCB COc1ccc(N2CCN(C[C@H](O)COC34CC5CC(CC(C5)C3)C4)CC2)cc1 23114558 PZUSFRIBRFPPFL-GAWOJFTKSA-N 400.563 3.164 10 40 HGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\NC(=O)Nc3ccc(Cl)cc3)C2=O)cc1C 100947690 IUDOIJOLDCEZNJ-MHWRWJLKSA-N 412.833 3.245 10 40 HGCB COC(=O)c1cc(NC(=S)NCc2ccc(N3CCOCC3)cc2)ccc1Cl 225420894 TWBTYRVMSROLTN-UHFFFAOYSA-N 419.934 3.450 10 40 HGCB COC(=O)CN1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 409216948 MOMVIYDGDQGVTB-ZSOIEALJSA-N 404.425 3.229 10 40 HGCB CCc1nnc(NC(=O)CCN2C(=O)/C(=C\c3ccccc3F)SC2=S)s1 8819252 KBKRMWCFSQHBOB-FMIVXFBMSA-N 422.532 3.470 10 40 HGCB Cc1cc(C(=O)COC(=O)[C@@]23CCC(=O)N2CCS3)c(C)n1-c1cccc(F)c1 12548863 KFDXLMDCNOVOJQ-NRFANRHFSA-N 416.474 3.025 10 40 HGCB COc1ccc(-c2c(C)oc3c(CN4CCOCC4)c(O)ccc3c2=O)cc1OC 20358045 HNVYDWNRFCZXMU-UHFFFAOYSA-N 411.454 3.323 10 40 HGCB biogenic COc1ccc(N/C=C2/C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 408549878 ASPOGMLGRZJSDG-LCYFTJDESA-N 405.838 3.231 10 40 HGCB Cc1cccc(COc2ccc(Br)cc2C=C2C(=O)NC(=O)NC2=O)c1 408804563 AWGXNVAJBFSXBD-UHFFFAOYSA-N 415.243 3.086 10 40 HGCB COCCN1C(=O)/C(=C/c2cn(C)c3ccccc23)C(=O)N(c2ccccc2)C1=O 409010064 JKAUVZZPYXPCLZ-RGEXLXHISA-N 403.438 3.204 10 40 HGCB Cc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccc(O)cc2)C(=O)NC1=S 4608395 LSQBOUDNELFZOU-QGOAFFKASA-N 403.463 3.323 10 40 HGCB CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCCC2=CCCCC2)N2CCCC2)cc1 5340797 YXLZQQBHNVNLCJ-JOCHJYFZSA-N 412.578 3.012 10 40 HGCB COc1cc(N2CCOCC2)ccc1CN1CCC(O)(c2ccccc2F)CC1 12240582 GTVVVFYSJAVKKS-UHFFFAOYSA-N 400.494 3.155 10 40 HGCB CCOc1cc2c(cc1/C=C1/C(=O)NC(=O)N(c3cccc(Cl)c3)C1=O)OCO2 409107601 SKSIJACWUVAEDX-NSIKDUERSA-N 414.801 3.134 10 40 HGCB COc1ccc2c3c(n(CCc4nc(C)no4)c(=O)c2c1OC)-c1ccccc1C3=O 604406032 YYVUMZWNDBXGEV-UHFFFAOYSA-N 417.421 3.164 10 40 HGCB biogenic O=C1NC(=S)NC(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 685046 URJHFCDXTBUMCG-UHFFFAOYSA-N 407.278 3.487 10 40 HGCB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NCc1ccc2c(c1)CCCN2C 84016953 SKCFXDYCPYPOBQ-UHFFFAOYSA-N 402.498 3.371 10 40 HGCB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)o1 33370483 QTURLEPYJVECMX-AUWJEWJLSA-N 420.424 3.149 10 40 HGCB CCOc1ccc(N2C(=O)N=C(O)/C(=C\Nc3ccc(NC(C)=O)cc3)C2=O)cc1 103110502 JDPBEEKDESJNQW-LDADJPATSA-N 408.414 3.463 10 40 HGCB Cc1ccc(N/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c([N+](=O)[O-])c1 408537302 ZWGSALHKANAZDZ-PKNBQFBNSA-N 400.778 3.135 10 40 HGCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc1 408776857 RVLQVHMZLAKDCA-MDWZMJQESA-N 416.817 3.032 10 40 HGCB O=C1/C(=C\c2ccco2)SC(=S)N1CCCC(=O)N(CCO)c1ccccc1 6133332 BADKQQIPCCCSDD-SAPNQHFASA-N 416.524 3.287 10 40 HGCB CCOC(=O)c1ccc(NC(=S)NNc2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 9313324 YLJBNACQSIJQSQ-UHFFFAOYSA-N 417.516 3.092 10 40 HGCB COC(=O)Cc1c(C)c2ccc(O)c(CNCc3ccc(Cl)cc3)c2oc1=O 9420732 AOCWLLUGRODODN-UHFFFAOYSA-N 401.846 3.466 10 40 HGCB COc1ccc(/C=C2/SC(=S)N([C@@H](C)C(=O)O)C2=O)cc1Br 20010388 CHALFGKQROSCGY-KEXZDQNZSA-N 402.291 3.132 10 40 HGCB CCc1ccc(Nc2n[nH]nc2C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 67284206 VHIQKTZONYJMQV-UHFFFAOYSA-N 406.490 3.082 10 40 HGCB CC1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1ccc(Cl)c(C(F)(F)F)c1 101469806 WPEGDUGTNBSWOK-LAPSENCUSA-N 421.828 3.060 10 40 HGCB Cc1cc(=O)n2c(n1)NC(N1CCc3ccccc31)=N[C@H]2c1ccc(N(C)C)cc1 104279941 BGDUYNUHDWHOKW-OAQYLSRUSA-N 400.486 3.009 10 40 HGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3O)C2=O)cc1 408778558 HFQZJOWUGKZFNJ-NTEUORMPSA-N 401.216 3.130 10 40 HGCB CN1C(=O)C(=Cc2ccc3c(c2)CCCN3Cc2ccccc2)C(=O)N(C)C1=S 2375769 FYLFHLMQAXJRGU-UHFFFAOYSA-N 405.523 3.238 10 40 HGCB COc1cc(OC)c(OC)cc1/C=C1/C(=O)N(c2ccccc2F)C(=O)N=C1O 8994458 SGBKBSWEXSPVOO-XYOKQWHBSA-N 400.362 3.358 10 40 HGCB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=C1\C(=O)N(c2ccc(F)cc2)C(=S)N=C1O 16156666 XNEPUFVOXNUGAD-FDIDWWNZSA-N 422.441 3.379 10 40 HGCB CCN(CC)c1ccc(CNC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1 222928262 OKECXJMWBDMBDF-UHFFFAOYSA-N 417.575 3.232 10 40 HGCB CCc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCC2)cc1 4330568 RYRWKNNBEMUKLV-JOCHJYFZSA-N 408.546 3.207 10 40 HGCB O=C(NN1C(=O)/C(=C/c2cccc(F)c2)SC1=S)c1cccc([N+](=O)[O-])c1 5065453 YCOHGZDNPOZGGV-ZSOIEALJSA-N 403.416 3.280 10 40 HGCB CCN1CCN(Cc2c(O)ccc3cc(-c4cc(OC)ccc4OC)c(=O)oc23)CC1 20755932 WFNXXCNANCHJHN-UHFFFAOYSA-N 424.497 3.320 10 40 HGCB biogenic COC(=O)c1cc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)ccc1C 223857682 AWJNNBZQDVCWPM-UHFFFAOYSA-N 402.516 3.250 10 40 HGCB CCC(=O)N1CCc2cc(S(=O)(=O)NCc3ccc(N(CC)CC)cc3)ccc21 224557920 YAVCBARQKHTCHE-UHFFFAOYSA-N 415.559 3.310 10 40 HGCB COc1cc(Cl)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c1O 408856113 PJMQGEGMYYPQRA-YRNVUSSQSA-N 406.822 3.025 10 40 HGCB CSCC[C@H](C(=O)O)N1C(=O)/C(=C\C2=Cc3ccccc3OC2)SC1=S 8990831 PKAOWGZIAVZOMF-GULXKOIASA-N 407.538 3.413 10 40 HGCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1C(=O)O 10038279 LAJVLDHTTXZCBI-GZTJUZNOSA-N 408.410 3.067 10 40 HGCB COC(=O)c1sccc1S(=O)(=O)N(C)Cc1ccc(N2CCCCC2)cc1 15545070 JKCMWJMZBHOPFQ-UHFFFAOYSA-N 408.545 3.346 10 40 HGCB COc1ccc(N2CCN(C[C@H](O)CO[C@@H]3C[C@H]4CC[C@@]3(C)C4(C)C)CC2)cc1 245026671 NFQDBPNUWFYENN-USHXRURQSA-N 402.579 3.410 10 40 HGCB CCN(CC)c1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1 409191228 DTTGEOOYGMZPRE-AQTBWJFISA-N 423.494 3.062 10 40 HGCB Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCC2)cc1C 4330633 YSTARAYNHNGFNR-JOCHJYFZSA-N 408.546 3.261 10 40 HGCB O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccccc1Br 4672884 JCVMIODBMRRFKC-LCYFTJDESA-N 405.248 3.420 10 40 HGCB COc1ccc(N2CCN(Cc3cc(=O)oc4cc(O)c(Cl)cc34)CC2)cc1 54105955 FIBZYEZDWUYPCZ-UHFFFAOYSA-N 400.862 3.483 10 40 HGCB biogenic O=C1CCCN1c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 79501216 JVVXXJOWWGPKRO-UHFFFAOYSA-N 408.892 3.272 10 40 HGCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc1OC 408800792 RAMNXRFDMVCFOE-RIYZIHGNSA-N 400.818 3.332 10 40 HGCB CCN(CC)c1ccc(-n2c(C)cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c2C)cc1 408993239 CXUVUEYJASPKCK-UHFFFAOYSA-N 408.502 3.374 10 40 HGCB COc1cc(N2CCCC2)c(OC)cc1/C=C1/NC(=O)N(Cc2ccccc2)C1=O 681462 NCFVATYGEUZLGS-LDADJPATSA-N 407.470 3.397 10 40 HGCB Cc1ccc(C)n1-c1ccc(C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)cc1 12526482 MXHBXKKYGZMTDO-UHFFFAOYSA-N 416.525 3.173 10 40 HGCB CN(C)c1ccc(CNC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)cc1 12606849 ZFGYHNDZXQPMML-UHFFFAOYSA-N 410.543 3.109 10 40 HGCB Nc1ccc(/N=N\c2c(S(=O)(=O)O)cc3ccccc3c2S(=O)(=O)O)cc1 13086457 XPTYWVPRQGSINY-HNENSFHCSA-N 407.429 3.331 10 40 HGCB in-vitro O=C(CN1C(=O)/C(=C\c2ccccc2F)SC1=S)Nc1cccc2nonc12 33585296 YRLQNVOLUQBNRI-RIYZIHGNSA-N 414.443 3.202 10 40 HGCB C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccccc1)c1ccc(N2CCCCC2)cc1 223482512 NLEKLEUYBFGKMR-GOSISDBHSA-N 415.559 3.175 10 40 HGCB CCN1C(=O)/C(=C/c2c(NCC(C)C)nc3c(C)cccn3c2=O)SC1=S 2245028 MHRARXDRCGUCTB-ZROIWOOFSA-N 402.545 3.292 10 40 HGCB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1cccc(C(=O)O)c1 4745505 IITZLYMEZXYHJO-GXDHUFHOSA-N 402.453 3.208 10 40 HGCB COc1ccc(N(CC(=O)O)CC(=O)NCCc2ccc(Cl)cc2Cl)cc1 34926484 ZPXJFMSGJCYRJS-UHFFFAOYSA-N 411.285 3.252 10 40 HGCB CN1CCCc2cc([C@@H](CNC(=O)Nc3ccc(F)cc3)N3CCOCC3)ccc21 35597179 PGNVBNCBJAKENY-JOCHJYFZSA-N 412.509 3.403 10 40 HGCB COc1ccc(S(=O)(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)cc1OC 260572585 HDZKUUDDSWQZPZ-INIZCTEOSA-N 404.532 3.419 10 40 HGCB O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(O)c(Br)c1 408918248 IADOSOQDIUPMKB-GHXNOFRVSA-N 421.247 3.125 10 40 HGCB O=C(CN1C(=O)/C(=C/c2ccco2)SC1=S)NCCc1c[nH]c2ccccc12 5346328 MFUFWSSWQSFLCA-YVLHZVERSA-N 411.508 3.321 10 40 HGCB CCOc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCC1 5349666 MOBAYNZXIIPJHM-OAQYLSRUSA-N 424.545 3.043 10 40 HGCB COc1ccc(N2CCN(C(=O)CNc3ccccc3N3CCCCC3)CC2)cc1 57866307 QCOLYYCXTUAYGH-UHFFFAOYSA-N 408.546 3.446 10 40 HGCB COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C[C@@H]1OCCc2ccccc21 95465456 BAMJKLFJHFZPPM-IBGZPJMESA-N 403.862 3.251 10 40 HGCB CNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccc(N3CCCCC3)cc2)c1 225413562 TYGITGFERFBZFD-INIZCTEOSA-N 401.532 3.076 10 40 HGCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1Br 409373556 UTEOKJPOVWVPIX-MDWZMJQESA-N 419.231 3.103 10 40 HGCB O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NCCCn1ccnc1 9187739 WHQGJAXMYHNFOM-QINSGFPZSA-N 420.585 3.133 10 40 HGCB COc1cc(N2CCCC2)c(OC)cc1/C=c1\sc2nc3ccccc3n2c1=O 13115746 BTVKCRHHJDNWTJ-NDENLUEZSA-N 407.495 3.074 10 40 HGCB CC1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1cc(C(F)(F)F)ccc1Cl 13654324 SGXNVUGBKOKTTH-HBZGRHIISA-N 421.828 3.060 10 40 HGCB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccc(O)c(O)c3)[C@@H]2C(=O)N1c1ccc(F)cc1 102761540 ZYLNGPQLLWQJDG-ACRUOGEOSA-N 420.396 3.288 10 40 HGCB COc1ccc(N2CCN(S(=O)(=O)c3cc4c(cc3OC)CCCC4)CC2)cc1 223444030 ZDSIPAMXALXOIM-UHFFFAOYSA-N 416.543 3.094 10 40 HGCB COc1ccc(C=C2C(=O)OC3(CCCC3)OC2=O)cc1I 408769834 PLVARVKKCVZVHB-UHFFFAOYSA-N 414.195 3.054 10 40 HGCB COCCN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)C1=O 409210554 JLXHRHMEJNYFGM-OQLLNIDSSA-N 417.395 3.026 10 40 HGCB CCN(CC)c1ccc(/C=C2/C(=O)N(CCOC)C(=O)N(c3ccccc3)C2=O)o1 4545326 RCEOMYQFPXRHLF-SDXDJHTJSA-N 411.458 3.151 10 40 HGCB O=C(O)COc1ccc(/C=C2\C(=O)N(c3cccc(F)c3)C(=O)N=C2O)cc1Cl 14010707 BXHBXGLJMWLQKW-MLPAPPSSSA-N 418.764 3.449 10 40 HGCB COc1cc(/C=C2/SC(Nc3ccc(F)cc3)=NC2=O)ccc1OCC(=O)O 16915507 HPLXHPLLZIGBEW-CXUHLZMHSA-N 402.403 3.380 10 40 HGCB COC(=O)c1cc(N/C(C)=C2\C(=O)N(c3ccccc3)N=C2C)cc(C(=O)OC)c1 100423108 KTHOIDYDGZOQNW-UYRXBGFRSA-N 407.426 3.368 10 40 HGCB COC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)C1=O 408547997 BPOFQUXCSGFCLR-XDHOZWIPSA-N 409.486 3.457 10 40 HGCB S=C(NNc1nc(N2CCCCC2)nc(N2CCCCC2)n1)Nc1ccccc1 408724942 HOYMHIQPBQPDSH-UHFFFAOYSA-N 412.567 3.166 10 40 HGCB COc1ccccc1C(=O)NN1C(=O)/C(=C\c2ccc(N(C)C)cc2)SC1=S 1230951 PYENDFLGJXNEFW-SFQUDFHCSA-N 413.524 3.307 10 40 HGCB COc1ccccc1N1C[C@@](O)(c2ccc(OC(F)F)cc2)[N+]2=C1SCCC2 3236911 WMDLYZCLASGEIZ-HXUWFJFHSA-N 407.462 3.467 10 40 HGCB O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 28336509 BQJUKZDKSVOZKX-UHFFFAOYSA-N 413.543 3.001 10 40 HGCB O=C(CN1C(=O)/C(=C\c2ccco2)SC1=S)NCCc1c[nH]c2ccccc12 33543448 MFUFWSSWQSFLCA-LICLKQGHSA-N 411.508 3.321 10 40 HGCB CCN(CC)CCCN/C=C1\C(=O)N(c2ccc(Br)cc2)C(=O)N=C1O 102497925 USVHUOYIVVDVEW-QINSGFPZSA-N 423.311 3.078 10 40 HGCB CCOC(=O)c1ccc(N(CC(=O)CN=[N+]=[N-])S(=O)(=O)c2ccc(C)cc2)cc1 104170434 CITNSRWXVPESOE-UHFFFAOYSA-N 416.459 3.246 10 40 HGCB CCOc1cccc(N2C(=O)/C(=C\c3cc(Cl)ccc3O)C(=O)NC2=S)c1 408740457 KUPPLKIBFSVXHK-DHDCSXOGSA-N 402.859 3.276 10 40 HGCB CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1 409195138 RLUQNCXCEUENJJ-RNEAKCBISA-N 424.478 3.393 10 40 HGCB O=C1N=C(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)S/C1=C/c1ccc(O)cc1 4335206 QAJPEGZTJFBKHU-QGOAFFKASA-N 410.455 3.093 10 40 HGCB CC(/C=C1\SC(=S)N(CCC(=O)NC2=NCCS2)C1=O)=C\c1ccccc1 5516766 KHTKFGRNFUHYED-DZIWGARNSA-N 417.581 3.443 10 40 HGCB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCC2)cc1 9135500 BVFRRBCKVCTGED-QHCPKHFHSA-N 420.557 3.269 10 40 HGCB COc1cccc(/C=C2\SC(=S)N(CCN3CCOCC3)C2=O)c1OC(C)C 12913878 PNVCGTJWYHWWNQ-LGMDPLHJSA-N 422.572 3.016 10 40 HGCB C[C@@H](NC[C@]1(N2CCOCC2)CCSC1)c1cc(Br)ccc1O 96009173 XDWLCSSIQPQFCB-CXAGYDPISA-N 401.370 3.013 10 40 HGCB COC(=O)[C@H](C)n1c(C)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc21 107745785 QHYYYNGRIHEKSZ-CCNLRRDASA-N 403.438 3.145 10 40 HGCB CC(=O)c1cccc(N/C=C2/C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1 109306586 LZRNCFSRCYZSBD-ZROIWOOFSA-N 417.849 3.425 10 40 HGCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccc(O)cc3)C2=O)c1C 409022640 FBDWINNBNFBKDS-CPNJWEJPSA-N 401.422 3.466 10 40 HGCB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)o1 3044032 RBKCMXDWJJVXHQ-VGOFMYFVSA-N 404.425 3.449 10 40 HGCB Cc1cc(CN2CCc3c(nc(-c4ccccn4)[nH]c3=O)C2)c(C)n1-c1ccccn1 19567630 VRKCANQJKQYVQL-UHFFFAOYSA-N 412.497 3.193 10 40 HGCB Cc1cc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N(C)C)ccc1F 8798902 UKEDQRPAPFURNN-OAQYLSRUSA-N 405.539 3.098 10 40 HGCB Cc1cc(N2CCCC2)ccc1/C=C1/NC(=O)N(CC(=O)Nc2ccccc2C)C1=O 9264833 GYJNLCIFOQYCBN-KGENOOAVSA-N 418.497 3.435 10 40 HGCB CC(C)Oc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc1 22589094 BTTMWFIVFUFDNG-XMMPIXPASA-N 424.589 3.258 10 40 HGCB O=C(O)c1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCCO4)SC2=S)cc1O 33542540 HKKJYHFAHPVJLK-PXNMLYILSA-N 415.448 3.267 10 40 HGCB CCc1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)cc3)N(CC(=O)OC)C2=S)cc1 409059882 YFFCBKFRYGSKRZ-ZHZULCJRSA-N 423.538 3.463 10 40 HGCB Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCO)c2C)nc1 223584578 QDBLISWQKNTSOY-RTWAWAEBSA-N 407.543 3.157 10 40 HGCB COc1ccc(N2CCN(C(=O)COC(=O)c3csc4c3CCCC4)CC2)cc1 3350695 UKIOQZWRCNDWQF-UHFFFAOYSA-N 414.527 3.141 10 40 HGCB Cc1ccc2nc(COC(=O)c3cccc4c3C(=O)c3ccccc3C4=O)cc(=O)n2c1 9818067 BNAULCAYXYOJNI-UHFFFAOYSA-N 424.412 3.135 10 40 HGCB Cc1cc(C(=O)CSc2ncnc3c2cnn3C)c(C)n1-c1ccc2c(c1)OCO2 11495034 CPYHJJOPAOEBON-UHFFFAOYSA-N 421.482 3.475 10 40 HGCB CCN1CCN(Cc2c(O)ccc3c(=O)c(-c4ccc5c(c4)OCCO5)coc23)CC1 20391835 GPUCVLWFGMXDQH-UHFFFAOYSA-N 422.481 3.074 10 40 HGCB biogenic CC[C@H](c1nnnn1Cc1ccc(OC)cc1)N1CCN(c2ccc(OC)cc2)CC1 57670964 URRKRBNIMXJRKB-JOCHJYFZSA-N 422.533 3.012 10 40 HGCB Cc1sc(-n2cccc2)c(C(=O)NCc2ccc(N3CCNC(=O)C3)cc2)c1C 70007319 UXYFCQZQVRJIBA-UHFFFAOYSA-N 408.527 3.022 10 40 HGCB COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc1c(Cl)cccc1Cl 113838500 DIENCGAAAQJJCF-UHFFFAOYSA-N 421.236 3.330 10 40 HGCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(C[C@H]4CCCO4)c3C)C2=O)c1 409200947 UEFRJYAZLQMTBP-FUNKKEAFSA-N 407.470 3.259 10 40 HGCB Cc1ccc(-c2cnc(SCC(=O)NCC(=O)Nc3ccc(F)cc3)n2C)cc1 6646886 MRWNYKIVUDZKHH-UHFFFAOYSA-N 412.490 3.382 10 40 HGCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC)cc3OC)C2=O)cc1 408896072 GOAYQVJKVKGFPX-PDGQHHTCSA-N 410.426 3.159 10 40 HGCB C[C@@H]1CN(C(=O)CN(Cc2cccs2)c2ccc3c(c2)OCCO3)C[C@@H](C)O1 96982679 RHAWXTFDJHSTQS-HZPDHXFCSA-N 402.516 3.162 10 40 HGCB C[C@H](NC(=O)c1ccc(Nc2nncc(=O)[nH]2)cc1)c1ccc(N2CCCCC2)cc1 19719198 WYRQGXWZGMQUNK-INIZCTEOSA-N 418.501 3.390 10 40 HGCB CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 15360363 JERWXKFYEZHPRM-UHFFFAOYSA-N 402.516 3.269 10 40 HGCB Cc1cccc(NC(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)c1 35597256 SCYOKZWIQDDPEZ-HSZRJFAPSA-N 407.562 3.098 10 40 HGCB COc1ccc(N2CCN(C(=O)CN3CCc4sccc4[C@H]3C3CC3)CC2)cc1 7255664 NIBJLSSYJOVUCL-HSZRJFAPSA-N 411.571 3.415 10 40 HGCB O=C(O)COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=S)N(c2ccccc2)C1=O 17376405 NLBXMCIFPNDABY-OQLLNIDSSA-N 416.436 3.464 10 40 HGCB Cc1ccc(NC(=O)N/C=C2\C(=O)NC(=O)N(c3cccc4ccccc34)C2=O)cc1 408529894 IFKUMNMURORRCM-QGOAFFKASA-N 414.421 3.437 10 40 HGCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3OCC)C2=O)ccc1OC 409237245 IWVIHCUMYFTSFH-NTCAYCPXSA-N 410.426 3.159 10 40 HGCB COC(=O)c1c(NC(=O)C[C@H]2Nc3ccccc3NC2=O)sc2c1CC[C@H](C)C2 646214 FQDDXDFQANSHAW-XHDPSFHLSA-N 413.499 3.421 10 40 HGCB COc1cc(/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)N=C2O)cc(Cl)c1O 16195031 YSXOHHRIZZWREZ-SDQBBNPISA-N 417.761 3.469 10 40 HGCB COc1ccc2c(c1)CCCN2CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl 22015310 ZZBLFDTVPQMJFV-UHFFFAOYSA-N 408.907 3.143 10 40 HGCB COc1ccc(N2CCN(C[C@@H](O)CO[C@@H]3C[C@H]4CC[C@@]3(C)C4(C)C)CC2)cc1 101213960 NFQDBPNUWFYENN-ZISUOPPCSA-N 402.579 3.410 10 40 HGCB COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccc(OC)cc1OC 408582089 BKOQKZNOLBJSLA-WQRHYEAKSA-N 424.409 3.489 10 40 HGCB COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(C(=O)OC)cc1 2302258 DYDXNWOPFKGGJT-UYRXBGFRSA-N 407.422 3.359 10 40 HGCB Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(C)n1-c1ccccn1 4933223 KKEGBDVVSBYMFE-SFQUDFHCSA-N 410.499 3.148 10 40 HGCB C[C@@H](C(=O)NCCc1ccc(O)cc1)N1C(=O)/C(=C/c2ccccc2)SC1=S 6661052 XZOCAXQKQUQMMN-RVAQLADHSA-N 412.536 3.341 10 40 HGCB CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3cccc(O)c3)C2=O)ccc1O 13689427 OLOVYTMYDZDESY-SXGWCWSVSA-N 416.480 3.043 10 40 HGCB COc1ccc(N2CCN(C[C@@H](O)COCC34CC5CC(CC(C5)C3)C4)CC2)cc1 23115038 UYQPMEDXEJQYRZ-ZFDSFTMVSA-N 414.590 3.411 10 40 HGCB O=C(NN1C(=O)/C(=C\c2ccc(O)c(O)c2)SC1=S)c1ccc(Cl)cc1 409328693 ZYMSUIQWAMQPPC-RIYZIHGNSA-N 406.872 3.297 10 40 HGCB COc1ccc(OC)c(/C=C2/C(=O)N(c3cc(OC)ccc3OC)C(=O)N=C2O)c1 2282821 LSIGTHRZKMKYDW-XNTDXEJSSA-N 412.398 3.228 10 40 HGCB COC(=O)Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(c1ccc(OC)cc1)C3 9303112 YDLAUUAHZQYCHT-UHFFFAOYSA-N 409.438 3.490 10 40 HGCB CNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccccc2)C1=O 12948379 PXZMGVRBADBIMK-PTNGSMBKSA-N 408.508 3.138 10 40 HGCB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3O)[C@@H]2C(=O)N1Cc1ccccc1 18182195 HZUINGSLGSOXRQ-FKBYEOEOSA-N 400.434 3.439 10 40 HGCB CCCCCN1C(=O)/C(=C2\SC(=S)N([C@@H](C)C(=O)O)C2=O)c2ccccc21 27563248 SSGAJILIIZTXRU-ICFTUWFRSA-N 404.513 3.268 10 40 HGCB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccc(O)c(O)c3)[C@H]2C(=O)N1c1ccc(F)cc1 102761546 ZYLNGPQLLWQJDG-HKBOAZHASA-N 420.396 3.288 10 40 HGCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccccn4)c3C)C2=O)c1 409228587 ZOWIZZPRIOCPOI-CPNJWEJPSA-N 400.438 3.464 10 40 HGCB O=C(CN1C(=O)S/C(=C/c2ccc(O)c(O)c2)C1=O)Nc1ccc(F)c(F)c1F 409344198 JILKRAKEBGKFEE-AWNIVKPZSA-N 424.356 3.190 10 40 HGCB COc1ccc(N2CCN(C(=O)c3cc(-c4ccc5c(c4)OCCO5)on3)CC2)cc1 7572349 KIGSNYMPUMKCLD-UHFFFAOYSA-N 421.453 3.084 10 40 HGCB Cc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCC2)cc1 8799046 UKZLEQMHYJHSLG-HSZRJFAPSA-N 413.587 3.493 10 40 HGCB Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N(C)C)c1C 9135422 OOBTZKLNEXIBPN-QFIPXVFZSA-N 408.546 3.043 10 40 HGCB C/C(NCCCN1CCOCC1)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 19920939 IOFXHVOUKVMSKF-QOCHGBHMSA-N 404.514 3.023 10 40 HGCB CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCC(N)=O 408963377 NROCCHZEFDNRKB-GZTJUZNOSA-N 414.508 3.355 10 40 HGCB Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)c1 13007893 RMHQLYJOUPPOIO-QHCPKHFHSA-N 420.557 3.269 10 40 HGCB O=C(CCN1C(=O)/C(=C/c2ccc(O)cc2)SC1=S)Nc1ccc(O)cc1 15037899 CFWHUEFDQJQGCY-WJDWOHSUSA-N 400.481 3.328 10 40 HGCB COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)cc1 223598693 SGOIBMOAZLBIBC-NHCUHLMSSA-N 408.527 3.154 10 40 HGCB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)o1 409328257 QTBOTTNKNXYIGR-VGOFMYFVSA-N 403.437 3.239 10 40 HGCB COC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)C1=O 1018584 DWDBUCZWSWXKKD-LICLKQGHSA-N 400.456 3.312 10 40 HGCB COc1ccc(N2CCN(C(=O)COC(=O)c3cc(C)nc4ccccc34)CC2)cc1 3555632 BAOOWYHFSVRKNM-UHFFFAOYSA-N 419.481 3.057 10 40 HGCB COc1ccc(N/C=C2/C(=O)NC(=S)N(CCC3=CCCCC3)C2=O)c(OC)c1 18183345 RHUGHXVLXMDRDW-SSZFMOIBSA-N 415.515 3.133 10 40 HGCB O=C1N=C(N2CCOCC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccco1 27025184 BRLWDPSAXVIWAT-AQTBWJFISA-N 406.467 3.435 10 40 HGCB CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(CC)C2=O)cc1Br 409393457 XLRXKJCKVRXUHQ-ZDIKFAODSA-N 411.321 3.273 10 40 HGCB C/C(NN1CCOCC1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 17091879 DFAZVFSHVPKIER-CYVLTUHYSA-N 419.510 3.158 10 40 HGCB COc1ccc(OC)c(C(=O)c2coc3ccc(O)c(CN4CCN(C)CC4)c23)c1 19367729 VNYLEZSMLMHHHP-UHFFFAOYSA-N 410.470 3.134 10 40 HGCB CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)cc1 223436490 IZXOJUSZGUIKSE-UHFFFAOYSA-N 415.559 3.447 10 40 HGCB Cn1c(-c2ccc(Br)cc2)cnc1SCC(=O)NC[C@@H]1CCCO1 6973028 QNLLOWLMEBLDBG-AWEZNQCLSA-N 410.337 3.237 10 40 HGCB COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1OCC(N)=O 13547850 AERHDELYNNAOJI-YBEGLDIGSA-N 406.529 3.093 10 40 HGCB O=C(O)CCCCCNC(=O)CCN1C(=O)/C(=C\c2ccccc2)SC1=S 5374874 ZCBBQVLONWYFFO-FYWRMAATSA-N 406.529 3.039 10 40 HGCB CC(=O)Nc1ccc(N/C=C2\C(=O)NC(=O)N(c3ccc(C(C)C)cc3)C2=O)cc1 9013439 FAQNFJNBWQWYBB-XDHOZWIPSA-N 406.442 3.347 10 40 HGCB CSCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc3c(c2)CCCN3C)SC1=S 13735553 PBQSMIPLBZGJDO-KFXIKWRMSA-N 422.597 3.477 10 40 HGCB COc1ccc(N2CCN(Cc3nc(-c4ccc(OC)c(OC)c4)no3)CC2)cc1 53771374 QZRGGRCWLXEMRD-UHFFFAOYSA-N 410.474 3.085 10 40 HGCB Cc1ccc(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)cc1S(=O)(=O)O 68601159 WZGMWHQPLBARPK-UHFFFAOYSA-N 409.419 3.466 10 40 HGCB biogenic O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 409215786 AUOLCKMMOLMLDM-LDADJPATSA-N 402.366 3.244 10 40 HGCB CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccccc2Cl)N2CCCC2)cc1 4330603 WABRMFDHENTYMQ-HXUWFJFHSA-N 414.937 3.298 10 40 HGCB C[C@@H]1CCc2c(sc3nc(CCC(=O)NCc4ccc(N(C)C)cc4)[nH]c(=O)c23)C1 9223765 NZDWAYSFVIDOQK-CQSZACIVSA-N 424.570 3.424 10 40 HGCB COc1cccc(CN2CCC[C@@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)c1O 19567177 FMRWNJZYMJHRPO-CYBMUJFWSA-N 410.923 3.232 10 40 HGCB COc1ccc(N2CCN(C(=O)COC(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 23471477 RCGYDHVZEYRJKD-UHFFFAOYSA-N 422.403 3.220 10 40 HGCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OC(C)(C)C 34688678 KLAVNCHFQOPPMJ-GDNBJRDFSA-N 411.414 3.242 10 40 HGCB Nc1c(Br)cc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1Br 100700177 NLKVWHQCXYJBIK-RKDXNWHRSA-N 400.070 3.249 10 40 HGCB CN(C)c1ccc(N/C=C2/C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 408551553 NIIUSFMIKPQSBK-UVTDQMKNSA-N 418.881 3.289 10 40 HGCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc3c(ccn3[C@@H](C)C(=O)O)c2)C1=O 409191345 WGMIYCKMDWVHPJ-IQGJIOQQSA-N 417.421 3.262 10 40 HGCB COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)ccc1OCc1cccc(C)c1 4680294 GVTOBQJPKSKJAC-UHFFFAOYSA-N 410.495 3.181 10 40 HGCB COC(=O)c1ccc(/C=C2\SC(N3CCN(c4ccccc4)CC3)=NC2=O)cc1 5372929 ULKUABRXWMVAJS-CYVLTUHYSA-N 407.495 3.266 10 40 HGCB O=c1[nH]c(-c2cccnc2)nc2c1CCN(Cc1ccc(N3CCCC3)c(F)c1)C2 12666281 LJKAEBLJXUBPGY-UHFFFAOYSA-N 405.477 3.130 10 40 HGCB CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)C1 222615629 SSLXVSVLGUAGML-AZUAARDMSA-N 421.607 3.162 10 40 HGCB COc1ccc(N2CCN(C(=O)/C=C/c3ccc(Br)c(N)c3)CC2)cc1 256052307 MUSDGQAAIOHZAY-YCRREMRBSA-N 416.319 3.402 10 40 HGCB Cc1cc(C(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(F)cc1 3381135 FLEVNUJKIYEZLD-UHFFFAOYSA-N 411.433 3.149 10 40 HGCB Nc1c(Br)cc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1Br 100701719 RFUAVFVYQXLPRN-WBAAPLAPSA-N 412.081 3.105 10 40 HGCB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(O)c(O)c3)[C@@H]2C(=O)N1Cc1ccccc1 101179916 VWXGOXBOHRFSEE-BDTNDASRSA-N 416.433 3.145 10 40 HGCB O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(O)c([N+](=O)[O-])c1 408904912 QHNHQASCTIVCRZ-BJMVGYQFSA-N 422.180 3.274 10 40 HGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccncc4)c3C)C2=O)cc1 408964342 QXMYECGTUHAQIM-DEDYPNTBSA-N 400.438 3.464 10 40 HGCB CCOC(=O)c1sc2[n+](c1C)C(=O)/C(=C\c1cc(OC)c(OC)c(OC)c1)S2 1637123 BKHLDPKDAKEKGX-NTEUORMPSA-N 422.504 3.334 10 40 HGCB CCN(CC)CC(=O)Nc1cccc2c1C(=O)c1c(c(O)c3ccccc3c1O)C2=O 5105416 WYOPNCPSADKLRD-UHFFFAOYSA-N 418.449 3.307 10 40 HGCB COC(=O)[C@@H](C)Oc1ccc2ccccc2c1/C=C1/C(=O)NN(c2ccccc2)C1=O 35332309 UQLYHVUJNAIFMU-KWPCUBQOSA-N 416.433 3.242 10 40 HGCB COc1ccc(OC)c(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)c1 1191422 GCNBSRZLWMLDNH-LFIBNONCSA-N 400.481 3.250 10 40 HGCB COc1ccc(-c2ccc(/C=C3/SC(=S)N(N4CCOCC4)C3=O)o2)cc1 7778869 RWZXHFKSNJHOKQ-SFQUDFHCSA-N 402.497 3.404 10 40 HGCB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cc1 58158723 VDFAQDAZTISBSQ-UGKGYDQZSA-N 413.562 3.051 10 40 HGCB Cc1ccc(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)cc1 13646236 OZTSELUPXGODTQ-UHFFFAOYSA-N 415.559 3.068 10 40 HGCB CCCN(CCC)c1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(C)C1=O 13758593 GWMVHGCMUYUZQE-PTNGSMBKSA-N 416.572 3.460 10 40 HGCB COc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1O 15013448 FIHDCUUBBTVPNV-YFHOEESVSA-N 407.209 3.374 10 40 HGCB COc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 408953002 NTKRFAPNHSRVNA-XMHGGMMESA-N 403.463 3.317 10 40 HGCB COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc(Cl)c1OC 1135058 SGCFIHWZFUALFV-RIYZIHGNSA-N 400.818 3.019 10 40 HGCB O=C(O)Cn1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 9259878 VSUDELOVVTULKQ-SXGWCWSVSA-N 423.812 3.046 10 40 HGCB O=C(NN1C(=O)/C(=C\c2ccc3ncccc3c2)SC1=S)c1ccc(O)cc1 13688935 IEMXFQXMFZPIKB-GZTJUZNOSA-N 407.476 3.487 10 40 HGCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3O)C2=O)c1 408890484 UMUFRAPHOUKWTK-NTEUORMPSA-N 401.216 3.130 10 40 HGCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(Cl)c1OC 408912406 FULBTFKSBJFGKJ-AWNIVKPZSA-N 404.781 3.163 10 40 HGCB CCOc1ccccc1N1C(=O)/C(=C\c2ccc3c(c2)CCN3CC)C(=O)N=C1O 2423010 UICKWBYWZNECLN-VKAVYKQESA-N 405.454 3.339 10 40 HGCB O=C(O)CCCN1C(=O)/C(=C\c2cc3c4c(c2O)CCCN4CCC3)SC1=S 13720471 NUIUSJUPHSXFIG-RVDMUPIBSA-N 418.540 3.157 10 40 HGCB CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccccc1C(F)(F)F 15360917 UWAQIXMIPGRQHX-UHFFFAOYSA-N 414.449 3.363 10 40 HGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(ccn4[C@@H](C)C(=O)O)c3)C2=O)cc1 409192889 FQAGCNKZHAVPNG-QCUKBLKESA-N 417.421 3.262 10 40 HGCB COC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)O)C3=O)c2C)cc1 409141713 JSKXQUSMCKVFGH-CXUHLZMHSA-N 414.439 3.002 10 40 HGCB CC(=O)N1CCCc2cc(S(=O)(=O)NCc3ccc(N4CCCC4)cc3)ccc21 42168660 RWCBAOZLOXJFQQ-UHFFFAOYSA-N 413.543 3.064 10 40 HGCB COc1cc(/C=C2/SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)ccc1O 20289412 WBVHJWKACMUXRO-XSFVSMFZSA-N 409.511 3.189 10 40 HGCB COc1cccc(N2C(=O)N=C(O)/C(=C\c3ccc(N(C)C)c([N+](=O)[O-])c3)C2=O)c1 4064062 PSJCMMIUBKEUQJ-OQLLNIDSSA-N 410.386 3.176 10 40 HGCB COc1ccccc1Oc1c(C)oc2c(CN3CCN(C)CC3)c(O)ccc2c1=O 20393952 QXDHBTYIYLAPSO-UHFFFAOYSA-N 410.470 3.355 10 40 HGCB biogenic O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1cccn1-c1ccc(O)cc1 15228717 HUOZREGELQUJHO-PDGQHHTCSA-N 407.426 3.153 10 40 HGCB CCCn1ncc2c(C(=O)NCc3ccc(N4CCOCC4)cc3)cc(C3CC3)nc21 36615841 RAQVHKDFNLCSFL-UHFFFAOYSA-N 419.529 3.485 10 40 HGCB COc1ccc(OC)c(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c1 409231530 JQHBNPPBTNOKLH-OQLLNIDSSA-N 416.886 3.497 10 40 HGCB CC[C@@H](C)c1ccccc1OCCOc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1 4672856 MWNSEWHKZOAHSE-OAHLLOKOSA-N 408.454 3.407 10 40 HGCB CC(C)[C@H](NC(=O)CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)C(=O)O 5374984 KDZMDRHSMRQHAF-HARLKNEESA-N 418.540 3.060 10 40 HGCB Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1 13007874 HSACVGRAYPXUIL-HSZRJFAPSA-N 420.557 3.269 10 40 HGCB O=C1NC(=S)N=C(O)/C1=C\c1cc(Cl)ccc1OCc1ccc(C(=O)O)cc1 20030316 FNRZVLGPOCOEHB-UHFFFAOYSA-N 416.842 3.372 10 40 HGCB COc1cc(CN/C=C2/C(=O)N(c3ccc(C)c(C)c3)C(=O)N=C2O)cc(OC)c1 103115123 SGXBJZCKXBISGR-XDHOZWIPSA-N 409.442 3.417 10 40 HGCB COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)c(OC)c1 1416532 RGUWEGKUTKRPCN-MHWRWJLKSA-N 400.481 3.250 10 40 HGCB CCOc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCC2)cc1 4330694 GOLKIDJECKLHOS-QFIPXVFZSA-N 424.545 3.043 10 40 HGCB Cc1cccc(C)c1NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCC1 5341044 HKGNXVNZRMONIF-NRFANRHFSA-N 408.546 3.261 10 40 HGCB COc1ccc(-c2cnc(SCC(=O)NCc3ccc4c(c3)OCO4)n2C)cc1 7423587 ANHDFXIMJPRUAI-UHFFFAOYSA-N 411.483 3.233 10 40 HGCB COc1ccc2ccccc2c1/C=C1/C(=O)NC(=O)N(c2ccc3c(c2)OCO3)C1=O 408842497 AGQSUNKAUHXIQB-BOPFTXTBSA-N 416.389 3.244 10 40 HGCB Cn1cc(/C=C2\SC(=S)N(CCCN3CCOCC3)C2=O)c2ccccc21 19891141 YFQWFVCHWUYDGJ-AQTBWJFISA-N 401.557 3.102 10 40 HGCB O=C1/C(=C\c2ccc(-c3cccc(F)c3)o2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 32593919 KDXJUXYLANOMEC-BPKVKKHESA-N 423.512 3.474 10 40 HGCB COc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)cc([N+](=O)[O-])c1O 59135729 GAKQUBGNFIDAJJ-UXBLZVDNSA-N 417.374 3.120 10 40 HGCB O=C(O)/C=C\C(=O)N1N=C(c2ccccc2OC(F)F)C[C@@H]1c1ccccc1O 80316168 YUWHPDTWWCFWOG-FJVVXJACSA-N 402.353 3.312 10 40 HGCB COC(=O)c1[nH]c2ccccc2c1/C=C1\SC(=S)N(CCCC(=O)O)C1=O 102729655 SMXYADCQQUOUOD-LCYFTJDESA-N 404.469 3.021 10 40 HGCB CCN(CC)c1ccc(CNC(=O)CCCN(C)S(=O)(=O)c2ccccc2)cc1 224521432 OORIOGLXBNYYRF-UHFFFAOYSA-N 417.575 3.250 10 40 HGCB COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OC)c([N+](=O)[O-])c1 408894578 RLOHMNPJXBMBQO-BOPFTXTBSA-N 424.409 3.489 10 40 HGCB CCc1ccccc1N1C(=O)/C(=C/c2cc(OC)c(OC)cc2C)C(=O)NC1=S 107598052 FGAZDJZOGYVHSV-LFIBNONCSA-N 410.495 3.406 10 40 HGCB CCOc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc(Cl)c1OCC 409338851 PLIPVHWBTKZLTQ-GHXNOFRVSA-N 401.893 3.423 10 40 HGCB Cc1csc(CC(=O)N2CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CC2)n1 8726636 WIIMPFJFNPEZGV-UHFFFAOYSA-N 422.554 3.386 10 40 HGCB O=C(CN1C(=O)COc2c(Cl)cccc21)NCc1ccc(N2CCCCC2)cc1 35316785 GDCQHGREXHRXAN-UHFFFAOYSA-N 413.905 3.372 10 40 HGCB CN1C(=O)/C(=C\c2cn(CC(=O)NC[C@H]3CCCO3)c3ccccc23)c2ccccc21 1441137 BVMAPZJRQOBJPZ-LZAZYHHXSA-N 415.493 3.454 10 40 HGCB CCOc1ccccc1NC(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCOCC1 35597240 QMHLHXFZFHVFEQ-JOCHJYFZSA-N 424.545 3.273 10 40 HGCB Cc1cccc(CN2C(=O)/C(=C3/SC(=S)N(CC(=O)O)C3=O)c3ccccc32)c1 9234551 HFASOFLCCCGVFD-ISLYRVAYSA-N 424.503 3.198 10 40 HGCB O=C(COC(=O)c1ccc(Cl)nc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 9335219 QRMJBHSPCZXOAQ-UHFFFAOYSA-N 420.808 3.306 10 40 HGCB C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OCC)c1OCC#N 33605306 MBRFQYKJIMAZNS-RGEXLXHISA-N 403.438 3.178 10 40 HGCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccc(S(N)(=O)=O)cc1 100423356 TVDLDSNUNFYMNR-UYRXBGFRSA-N 416.478 3.362 10 40 HGCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccccc3)C2=O)c(OC)c1 408952649 VLVRFTGCAKIYAB-QGOAFFKASA-N 417.421 3.161 10 40 HGCB COc1ccc(/C=C2/SC(=O)N(CCCC(=O)N3CCOCC3)C2=S)cc1 1050455 QLTZUPZJGKMKQZ-DTQAZKPQSA-N 406.529 3.171 10 40 HGCB Nc1c(S(=O)(=O)O)cc(S(=O)(=O)O)c2ccc(/N=N/c3ccccc3)c(O)c12 3954008 QLIPBTNLIPOBMV-VHEBQXMUSA-N 423.428 3.036 10 40 HGCB in-vitro CN(CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1ccc(N2CCOCC2)cc1 12543682 NNOXTTMYZQDEAX-UHFFFAOYSA-N 408.546 3.194 10 40 HGCB COC(=O)c1[nH]c2ccccc2c1/C=C1\SC(=S)N([C@@H](C(=O)O)C(C)C)C1=O 102728078 XOKDJJLUVGFNIQ-JEMSNHSXSA-N 418.496 3.265 10 40 HGCB COCCN1C(=O)/C(=C/c2ccccc2OC(C)C)C(=O)N(c2ccccc2)C1=O 409010985 GPFCDYLCBUCNBR-CYVLTUHYSA-N 408.454 3.499 10 40 HGCB CCOc1ccc(OCC)c(NC(=O)CN2CCN(c3ccc(OC)cc3)CC2)c1 57711645 BTSOUIULKYWZRA-UHFFFAOYSA-N 413.518 3.253 10 40 HGCB Cc1cc(N2C(=O)NC(=O)/C(=C\Nc3ccc(O)cc3)C2=O)ccc1Br 408528103 FFHLUKMLIRNLPC-NTEUORMPSA-N 416.231 3.042 10 40 HGCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(C)C)cc3)C2=O)cc(OC)c1O 1201117 WCNUHXQPAMYCJM-CXUHLZMHSA-N 410.426 3.199 10 40 HGCB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(O)c(O)c3)C2=O)cc1 4698590 OMPUICQUMGDMAK-LICLKQGHSA-N 414.439 3.172 10 40 HGCB Nc1c(N2CCOCC2)cc(NCc2ccco2)c2c1C(=O)c1ccccc1C2=O 6664466 JJMOCYQWVCBIGU-UHFFFAOYSA-N 403.438 3.086 10 40 HGCB COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)c1 30418908 ZIALSBIFGOZDOO-UHFFFAOYSA-N 408.907 3.205 10 40 HGCB CC[C@H](c1nnnn1CCc1ccccc1)N1CCN(c2ccc(OC)cc2)CC1 57671836 TXIWRHHYCIURDQ-JOCHJYFZSA-N 406.534 3.198 10 40 HGCB COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(C)n(C)c1C 409054549 BPWPEQOZJNUHCY-YVLHZVERSA-N 417.918 3.443 10 40 HGCB CCN1C(=O)/C(=C/c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)C(=O)NC1=S 409392878 SSRLAAJBOVUDFA-OQLLNIDSSA-N 417.918 3.403 10 40 HGCB COc1ccccc1/C=C1\SC(=S)N(NS(=O)(=O)c2ccc(C)cc2)C1=O 3070813 MXFOXSCQVFQTOJ-WJDWOHSUSA-N 420.537 3.098 10 40 HGCB CN(CCO)c1cc(Nc2cccc(F)c2)c2c(c1N)C(=O)c1ccccc1C2=O 5482746 UZMDMKNHGBMSJR-UHFFFAOYSA-N 405.429 3.355 10 40 HGCB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc1F 8964115 FTFDJNFLSHBVHP-QFIPXVFZSA-N 424.520 3.018 10 40 HGCB COc1cc(/C=C2/SC(N)=NC2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 96911485 PMFJGXWOVGYLGD-CXUHLZMHSA-N 417.874 3.295 10 40 HGCB CNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 225413660 UINILNVMSWHSLE-SJORKVTESA-N 415.559 3.322 10 40 HGCB COc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(Br)cc2C)C1=O 408900272 XTTCLLBGNMKPMS-UVTDQMKNSA-N 415.243 3.433 10 40 HGCB Cn1c(=O)n(C)c2cc(/C=C3\C(=O)N(c4ccccc4)N=C3C(F)(F)F)ccc21 408970560 BJNQBPSISMBLIC-UVTDQMKNSA-N 400.360 3.226 10 40 HGCB Cc1nnc(NC(=O)CN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)s1 4158354 RISMNWGVOYVVIO-WDZFZDKYSA-N 410.933 3.340 10 40 HGCB COc1ccc(OC)c(/C=C2\SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)c1 13839879 VINJZYBAPQMALO-QNGOZBTKSA-N 423.538 3.492 10 40 HGCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1C[C@H]1CCCO1 409199801 KBJMBUGGNLAHNA-HDAJJNEKSA-N 411.433 3.089 10 40 HGCB COc1cc(/C=C2\SC(NCC(=O)O)=NC2=O)ccc1OCc1ccc(F)cc1 4387563 STNGDYPAZLEDNQ-MFOYZWKCSA-N 416.430 3.058 10 40 HGCB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(O)c(O)c3)[C@H]2C(=O)N1c1ccccc1F 13804094 OOLATHWMEFKARF-QHAWAJNXSA-N 420.396 3.288 10 40 HGCB CN1CCCc2cc([C@H](CNC(=O)CCc3ccccc3)N3CCOCC3)ccc21 16838308 LFJDHWPTCMAFBW-DEOSSOPVSA-N 407.558 3.191 10 40 HGCB Cc1cc(C(=O)COC(=O)c2ccc(O)cc2O)c(C)n1-c1ccc2c(c1)OCCO2 21135800 QZQHPPLQZUSTJJ-UHFFFAOYSA-N 423.421 3.316 10 40 HGCB C[C@@H]1CCCN(c2ccc(CNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)cc2)C1 225423948 AZMLCRLAVSSJSD-QGZVFWFLSA-N 415.559 3.103 10 40 HGCB CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(CC)C2=O)cc1Br 409393455 XLRXKJCKVRXUHQ-MJWAUXSNSA-N 411.321 3.273 10 40 HGCB COC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)C1=O 1135314 WZEUNVXUTJICFF-CXUHLZMHSA-N 415.427 3.212 10 40 HGCB COC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O 8835891 BVKUPNBIPQGFGR-UHFFFAOYSA-N 421.430 3.049 10 40 HGCB COc1ccc(N2CCN(C(=O)c3snnc3-c3cccc(OC)c3)CC2)cc1 225767538 ONRMWTZEVHAPGZ-UHFFFAOYSA-N 410.499 3.185 10 40 HGCB COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(/C)NCCCO)cc1 9290285 KGSHMUAPPDFMIJ-RGEXLXHISA-N 422.510 3.302 10 40 HGCB CC(C)CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(C(C)C)cc3)C(=N)N21 20206995 MSPRAVFLIXZGKG-HSFPQDBWSA-N 418.544 3.457 10 40 HGCB COc1ccc(N2CCN([C@H](c3ccccc3F)c3nnnn3C(C)(C)C)CC2)cc1 20139731 FFAKKXNGZUPMLV-OAQYLSRUSA-N 424.524 3.487 10 40 HGCB Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 33746563 XBEMNKANMOYWRN-ODLFYWEKSA-N 401.422 3.284 10 40 HGCB O=C(O)C[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccccc3)o2)SC1=S 35516914 ZFNZIBBJDNDGNU-UGMNDJHYSA-N 403.437 3.076 10 40 HGCB CNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1 260907929 UINILNVMSWHSLE-IRXDYDNUSA-N 415.559 3.322 10 40 HGCB COc1ccccc1OCC(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCCC1 8963399 VQXGSYXURBMYOO-OAQYLSRUSA-N 409.530 3.020 10 40 HGCB COc1ccc(OC)c(N2C(=O)N=C(O)/C(=C/c3cccc(OC)c3OC)C2=O)c1 9331298 XAEKAWZXSKDKJK-UVTDQMKNSA-N 412.398 3.228 10 40 HGCB COC(=O)/C=C\c1ccc(N2CCC[C@H]2CNC(=O)OC(C)(C)C)c([N+](=O)[O-])c1 98056196 ZMWGFBVIYRYRLZ-WWRUEGTHSA-N 405.451 3.275 10 40 HGCB COC(=O)CN1C(=O)N/C(=C/c2c(C)n(Cc3ccccc3F)c3ccccc23)C1=O 408549716 XMSWELYZYVOQCV-YBFXNURJSA-N 421.428 3.203 10 40 HGCB C[C@@H](Oc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl)C(=O)O 108234852 GDHAUBSEAWKPAY-QVASGMJFSA-N 421.236 3.307 10 40 HGCB COc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)NC3=O)cc2)cc1 15055985 VZINCCBIVBPNKW-YBEGLDIGSA-N 400.481 3.202 10 40 HGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3nc4ccc(C)cc4s3)C2=O)c(C)c1 408533037 NWOCCANHNULZSC-GXDHUFHOSA-N 406.467 3.800 10 40 HGCB Cc1cc(C(=O)COC(=O)[C@]23CCC(=O)N2CCS3)c(C)n1-c1ccccc1F 12549035 NOPFEDBLRZHEAK-OAQYLSRUSA-N 416.474 3.025 10 40 HGCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1O 408956836 YRDWVHJOBVEVHL-NYYWCZLTSA-N 421.192 3.094 10 40 HGCB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2nnc(C)s2)C1=O 2259113 ILXKETPRHGLKTO-LCYFTJDESA-N 420.541 3.085 10 40 HGCB CCCCN1C(=O)[C@H](C(=O)OCC)[C@@H](c2ccc(O)c(O)c2)n2c1nc1ccccc12 20675295 JPVGNBLOKBWLRB-WOJBJXKFSA-N 423.469 3.363 10 40 HGCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(OC)c1 409251033 ZOHJFDDFWCFLRO-OVCLIPMQSA-N 416.886 3.497 10 40 HGCB Cc1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(C)C3=O)o2)c(Br)c1 1053428 WXESKYVVTORGIJ-XYOKQWHBSA-N 405.273 3.274 10 40 HGCB COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)/C1=C\c1cccc(OC)c1O 2363384 LFOPUVDNAYCDMJ-ATVHPVEESA-N 423.421 3.065 10 40 HGCB COc1cccc(OCC(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCC2)c1 11613050 VBCGVQCGRFSWQC-DEOSSOPVSA-N 423.557 3.410 10 40 HGCB C[C@H](C(=O)O)N1C(=O)/C(=C2/C(=O)N(Cc3ccccc3)c3ccccc32)SC1=S 1282009 YWCQOARNKAIEBI-WGKGOADCSA-N 424.503 3.278 10 40 HGCB O=C1NN(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(-c2ccc3c(c2)COC3=O)o1 2315919 KFWRAQFSFXZXJK-VCHYOVAHSA-N 404.353 3.218 10 40 HGCB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCC2)cc1C 4330628 YSTARAYNHNGFNR-QFIPXVFZSA-N 408.546 3.261 10 40 HGCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)COc1ccc(Br)cc1 10907058 VXWVVOOQCASOKV-UHFFFAOYSA-N 419.319 3.323 10 40 HGCB CCN(CC)c1ccc(CNC(=O)c2ccc(N(CC)S(C)(=O)=O)cc2)cc1 225599041 ZBVYKTOPOCKKEU-UHFFFAOYSA-N 403.548 3.249 10 40 HGCB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)o1 409228129 UKZNWXXERRDIFI-LICLKQGHSA-N 417.377 3.015 10 40 HGCB Cc1cc(O)c(CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1C(C)C 22308848 FHFUHSODJLJXOO-UHFFFAOYSA-N 406.523 3.470 10 40 HGCB O=C1/C(=C/c2ccccc2F)SC(=S)N1CCC(=O)N1CCCC[C@@H]1CCO 6660284 KRKYHZYBCPPKCW-WIZMWCRPSA-N 422.547 3.181 10 40 HGCB O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)NC1=NCCS1 1180887 CEFANVPCRKHAFV-FMIVXFBMSA-N 411.961 3.150 10 40 HGCB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1cccc2nonc12 5350275 JNHAZAQAZXQOPU-UKTHLTGXSA-N 400.441 3.046 10 40 HGCB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(N4CCCCC4)cc3)C2=O)o1 5986101 GXDRLCLFIQVCRW-AQTBWJFISA-N 409.442 3.149 10 40 HGCB Cc1ccc(C)c(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N(C)C)c1 9135455 SWQLGAZNESACHZ-JOCHJYFZSA-N 408.546 3.043 10 40 HGCB COc1ccc2c(c1)C=C[C@@H]1[C@H]3C(=O)N(c4c(C)cccc4C)C(=O)[C@@H]3[C@H](C(C)=O)N21 13681024 UTQZZTKVCRFKPY-JFYQVNSESA-N 416.477 3.291 10 40 HGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3O)C2=O)cc1C 408850930 GNCPKRCQXVCSTK-OQLLNIDSSA-N 415.243 3.438 10 40 HGCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(N3CCCC3)c(F)c2)C1=O 409223500 ZSNGCTLPMYGAHU-DTQAZKPQSA-N 423.444 3.491 10 40 HGCB O=C(CS(=O)(=O)Cc1ccccc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 10619028 LZINMVJKEATHSO-UHFFFAOYSA-N 419.458 3.016 10 40 HGCB Cc1cc(C(=O)OC(C)C)ccc1-c1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)o1 409114320 GUIVDJJQOBGNKE-UHFFFAOYSA-N 410.426 3.254 10 40 HGCB O=C(CN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1cccc2nonc12 8995489 YRLQNVOLUQBNRI-ZSOIEALJSA-N 414.443 3.202 10 40 HGCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccccn1 223258010 UHHWOYQVYXLZTE-YADHBBJMSA-N 420.586 3.418 10 40 HGCB COc1ccc(N2CCN([C@H](c3nnnn3CCc3ccccc3)C(C)C)CC2)cc1 57671872 OYLYCFUSDUNROE-QHCPKHFHSA-N 420.561 3.444 10 40 HGCB COc1cccc(N2C(=O)NC(=O)/C(=C/N3c4ccc(F)cc4CC[C@H]3C)C2=O)c1 96237517 VDMOFCFXNZTUFD-FDIDITGRSA-N 409.417 3.142 10 40 HGCB O=C1NC(=S)NC(=O)C1=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12 408867365 KORCVLGZXFRJIG-UHFFFAOYSA-N 406.438 3.472 10 40 HGCB COc1cccc(/C=C2/SC(=S)N(NC(=O)Cc3ccccc3)C2=O)c1OC 35038990 PLJBRYSOXDYPPS-FOWTUZBSSA-N 414.508 3.179 10 40 HGCB COc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1 14133127 HRWKARBHLLDLTL-XMHGGMMESA-N 401.422 3.461 10 40 HGCB O=C(O)COc1ccc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1 16906452 SDPAJXADOFKOKR-FRKPEAEDSA-N 415.448 3.285 10 40 HGCB COC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(CC(=O)O)C3=O)o2)cc1 44154288 AXWYRWGNHBRPOS-RIYZIHGNSA-N 403.437 3.019 10 40 HGCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OCC)cc3)C2=O)cc1 408799841 LVUJBFRFMMJLJJ-XMHGGMMESA-N 422.437 3.319 10 40 HGCB CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1 409195135 RLUQNCXCEUENJJ-HTMJNSLASA-N 424.478 3.393 10 40 HGCB O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C\c1cccc(I)c1 725484 UAPDJRFIZUXZLU-ZSOIEALJSA-N 424.625 3.406 10 40 HGCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc1O 4591783 IDSUIGPTRYQWMF-XYOKQWHBSA-N 402.859 3.194 10 40 HGCB COC(=O)Cn1cc(/C=C2/C(=O)N(C3CCCCC3)C(=O)N=C2O)c2ccccc21 13880136 IPZSQZPJCHWHOO-GZTJUZNOSA-N 409.442 3.449 10 40 HGCB C[C@H](NS(=O)(=O)c1ccc2oc(=O)[nH]c2c1)c1ccc(N2CCCCC2)cc1 19716058 DXLNSLLKYYGZBI-AWEZNQCLSA-N 401.488 3.151 10 40 HGCB Cc1ccc(N2C=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccc(F)cc32)cc1C 49004014 YVDLKPRVURUFLO-UHFFFAOYSA-N 416.474 3.068 10 40 HGCB O=C(O)CCN1C(=O)/C(=C/c2cc3cc4c(cc3nc2Cl)OCO4)SC1=S 102752440 WDJHZXBUERIRNT-ACAGNQJTSA-N 422.871 3.293 10 40 HGCB C/C(NC[C@H]1CCCO1)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 112126530 JYENOBJBBKABLJ-GCFJHJGGSA-N 406.442 3.388 10 40 HGCB CCN1C(=O)C(=Cc2ccc(-c3ccc(C(=O)O)cc3C)o2)C(=O)N(CC)C1=S 408961569 NHUDDVYCOXMRFF-UHFFFAOYSA-N 412.467 3.332 10 40 HGCB O=C(O)C[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)SC1=S 8884274 PDHJTFCMQRRNGE-FUEWVNAISA-N 421.427 3.215 10 40 HGCB Cc1ccc(C)n1N1C(=O)/C(=C/c2cc3c(cc2[N+](=O)[O-])OCO3)SC1=S 409348175 OBQCDOSYLRQWGB-UUASQNMZSA-N 403.441 3.279 10 40 HGCB COc1ccc(N2CCN(C(=O)c3cc(OC)c(OC)cc3-n3cccc3)CC2)cc1 36359468 XMVLDLJJLIRWNV-UHFFFAOYSA-N 421.497 3.466 10 40 HGCB COc1ccc(N2CCN(C[C@@H](O)CO[C@@H]3C[C@H]4CC[C@]3(C)C4(C)C)CC2)cc1 56979758 NFQDBPNUWFYENN-YWWGLXIYSA-N 402.579 3.410 10 40 HGCB COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1C(=O)O 409054408 FVIGVBMRPLRYEZ-ZSOIEALJSA-N 414.801 3.022 10 40 HGCB COCCn1c(C)cc(/C=C2/C(=O)N=C(S)N(c3ccc(F)cc3)C2=O)c1C 1823995 FGIXDPDMWOAIOZ-BOPFTXTBSA-N 401.463 3.133 10 40 HGCB CCOc1cc(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)c1 408875991 IJIAZPOFEGVBEW-LICLKQGHSA-N 400.818 3.414 10 40 HGCB CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@H](c2cccc(OC)c2O)N3)C1 4554828 PGXYMLQHCQXYNL-INIZCTEOSA-N 403.460 3.406 10 40 HGCB CN(Cc1ccc(N(C)C)cc1)C(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 18150728 ISFXSJHEJHQVFB-UHFFFAOYSA-N 424.570 3.452 10 40 HGCB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccccc1Br 408852017 POZTUSHFTOUYOK-PKNBQFBNSA-N 405.248 3.420 10 40 HGCB O=C(O)CN1C(=O)/C(=C/c2cccc(OCCOc3ccccc3)c2)SC1=S 409344843 HPNMUVZWDYGJQP-ATVHPVEESA-N 415.492 3.430 10 40 HGCB O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1CCC(=O)N1CCCC[C@@H]1CCO 28296893 CILDXSMQAZXEAV-VAFHRPCXSA-N 422.547 3.181 10 40 HGCB CS(=O)(=O)Nc1cc(Br)c(O)c(Br)c1Br 35686180 HWARDTLWKURHOV-UHFFFAOYSA-N 423.908 3.051 10 40 HGCB COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 408777872 KTYBEDYUBYZJEF-UNOMPAQXSA-N 424.428 3.146 10 40 HGCB CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3cccc(F)c3)N3CCCC3)ccc21 9135597 QFJUPFYNIGVFNK-QFIPXVFZSA-N 424.520 3.100 10 40 HGCB COc1ccc(N2CCN(C(=O)COc3ccc(C)c4c3C(=O)C[C@H]4C)CC2)cc1 22134772 KXUKXFPMGXXZGO-QGZVFWFLSA-N 408.498 3.421 10 40 HGCB COc1cccc(/C=C2/SC(=S)NC2=O)c1OCc1ccc(C(=O)O)cc1 409188200 XKGWUMLOAKQFTC-OQLLNIDSSA-N 401.465 3.461 10 40 HGCB CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(Cl)c2)N2CCCC2)cc1 4330504 VJSWHXPHAXOPCP-HXUWFJFHSA-N 414.937 3.298 10 40 HGCB COc1ccccc1OCC(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCCC1 8963400 VQXGSYXURBMYOO-NRFANRHFSA-N 409.530 3.020 10 40 HGCB O=C1NC(=O)C(=Cc2ccc(Cc3ccccc3Br)c(Cl)c2)C(=O)N1 408873011 QSJCIGXCTRTFQD-UHFFFAOYSA-N 419.662 3.443 10 40 HGCB CCOc1ccc(N2C(=O)/C(=C/N3CCCc4ccccc43)C(=O)NC2=S)cc1 5511862 DYUNZRLAFTWBDJ-NBVRZTHBSA-N 407.495 3.170 10 40 HGCB Cc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@H](CC(C)C)C(=O)O)C2=O)cc1 5552899 RYKABPCNGSOLDC-YLQKULKDSA-N 420.556 3.202 10 40 HGCB COc1ccc(/C=C2\SC(=S)N([C@@H](CCSC)C(=O)O)C2=O)cc1OC 12625297 OOHQCVTWMGHBOB-HOXUKUGESA-N 413.542 3.111 10 40 HGCB COc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(Cl)c3)C(=O)NC2=S)cc1 408788258 DEUPSCLUBOMGFS-ZROIWOOFSA-N 402.859 3.189 10 40 HGCB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCC2)c(C)c1 4330638 NZUFZEKIJKUPCB-QFIPXVFZSA-N 408.546 3.261 10 40 HGCB CC(=O)NCCc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)cc1 223311195 SQPJYDCJUNJIKP-UHFFFAOYSA-N 401.513 3.290 10 40 HGCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OC(C)C)C2=O)cc1 408815428 RGUUQFXDIWTKNZ-WOJGMQOQSA-N 410.426 3.157 10 40 HGCB CCOc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1OCC 408917955 DCRNSOZXCFYDSU-WJDWOHSUSA-N 414.458 3.454 10 40 HGCB O=C1NC(=S)NC(=O)C1=CNc1ccc(Cl)cc1C(=O)c1ccccc1Cl 2748480 FKBQNOSRXGNLJM-UHFFFAOYSA-N 420.277 3.051 10 40 HGCB Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1cccc(C(=O)O)c1 108988661 VOVKDZNUWHPRJL-MOSHPQCFSA-N 401.422 3.254 10 40 HGCB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)C[C@H]2Oc3ccccc3NC2=O)cc1 7780203 QNZFSLQSKAYVFU-SIKLNZKXSA-N 423.513 3.050 10 40 HGCB CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(-n2cncn2)cc1 84774826 XDICOCPNYAJZAV-UHFFFAOYSA-N 401.264 3.398 10 40 HGCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])SC2=S)cc1 34389060 DXFRGMPJIATAIP-XNTDXEJSSA-N 415.452 3.150 10 40 HGCB O=C(CN1C(=O)N/C(=C\c2ccc(N3CCCCC3)cc2)C1=O)Nc1ccccc1F 6392639 FETJONLFLRCEPF-ZHZULCJRSA-N 422.460 3.347 10 40 HGCB CC(=O)Nc1ccc(S(=O)(=O)Nc2sc3c(c2C(N)=O)CCCCCC3)cc1 2742029 JFWAMSRMMCNXIB-UHFFFAOYSA-N 421.544 3.265 10 40 HGCB O=C(NN1C(=O)/C(=C/c2cccnc2)SC1=S)c1ccc(Br)cc1 8735891 OMMLPHKTDPJTNN-JYRVWZFOSA-N 420.313 3.390 10 40 HGCB CCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3cccnc3)C2=O)cc1OC 13787685 XAJMUBSKFFVLAN-YBEGLDIGSA-N 415.496 3.035 10 40 HGCB COc1ccc(N2CCN(C(=O)CCc3nc(-c4ccccc4C)no3)CC2)cc1 44842108 HEPJERSOWRURHT-UHFFFAOYSA-N 406.486 3.335 10 40 HGCB COC(=O)c1ccc(-n2c(C)cc(C(=O)CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)c2C)cc1 102115893 RRQAZVGSWUBSIT-OALUTQOASA-N 422.481 3.239 10 40 HGCB O=C1NC(=O)C(=Cc2ccc(Cc3ccccc3Cl)c(Br)c2)C(=O)N1 408876806 NZRQJWRTUDJWSF-UHFFFAOYSA-N 419.662 3.443 10 40 HGCB O=C1N=C(O)/C(=C/c2ccc[nH]2)C(=O)N1c1ccc(I)cc1 9042651 ZOMCSULPGZDRID-WQLSENKSSA-N 407.167 3.126 10 40 HGCB CCN(CC)/N=N/c1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)O)cc1 9969843 PFNWXXQCJNIYMV-HYHOCUEZSA-N 404.492 3.001 10 40 HGCB CCN(CCO)C(=O)CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S 5370737 OZEALRLYIQQXIC-ICFOKQHNSA-N 406.573 3.289 10 40 HGCB O=C(O)C[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccccc3)o2)SC1=S 35516910 ZFNZIBBJDNDGNU-QENILXLESA-N 403.437 3.076 10 40 HGCB CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1ccc(Cl)c(C(F)(F)F)c1 101469807 WPEGDUGTNBSWOK-WBOGTDJTSA-N 421.828 3.060 10 40 HGCB COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)ccc1O 4599687 ZPZWFUZBURBOIC-XYOKQWHBSA-N 402.859 3.194 10 40 HGCB CC[C@@H](C)N1C(=O)/C(=C/N2CCN(Cc3ccc4c(c3)OCO4)CC2)SC1=S 30819336 NLBMUJUDJNXAQW-IIMQCXAKSA-N 419.572 3.033 10 40 HGCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(OC)c(OC)cc3C)C2=O)cc1 408548010 BSQMVDKGENADHY-GZTJUZNOSA-N 410.426 3.077 10 40 HGCB COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC 6348240 ZJYFCIDGZLVQIV-WJDWOHSUSA-N 413.426 3.178 10 40 HGCB O=C(O)COc1ccc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)cc1 33546732 DYDHOFPNGFGPBD-OQLLNIDSSA-N 400.774 3.310 10 40 HGCB O[C@H](COc1cccc2ccccc12)CN1CCN(c2ccc3c(c2)OCO3)CC1 54306947 LLABWSMYZWABHW-FQEVSTJZSA-N 406.482 3.130 10 40 HGCB CCOC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)C1=O 106742395 BMJCXPUXGIEPMR-DHDCSXOGSA-N 401.396 3.244 10 40 HGCB O=C(O)Cn1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c2ccccc21 17082452 IGBYGKQSAPYEBO-KHAFMBKQSA-N 402.497 3.106 10 40 HGCB CN1CCN(Cc2c(O)ccc3c(O)c(-c4ccc(Cl)cc4)c(=O)oc23)CC1 20663637 AGWFUSWJRVKGBP-UHFFFAOYSA-N 400.862 3.272 10 40 HGCB biogenic Cc1ccnc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCO)c2C)c1 223584169 MLJLZKMJHWJJAF-SFTDATJTSA-N 407.543 3.157 10 40 HGCB COC(=O)C1=C(C)N(C2CCCC2)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC 6272759 OFUDBQQLKISKFT-VBKFSLOCSA-N 401.459 3.328 10 40 HGCB COc1cc(N2CCCC2)c(OC)cc1/C=c1/sc2nc3ccccc3n2c1=O 38139239 BTVKCRHHJDNWTJ-UDWIEESQSA-N 407.495 3.074 10 40 HGCB O=S(=O)(O)c1ccc(/N=N/c2ccc(O)c3cc(S(=O)(=O)O)ccc23)cc1 95851239 REFKIHUNXIHIKW-ISLYRVAYSA-N 408.413 3.454 10 40 HGCB O=C([C@@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1)N1CCCCCC1 19658345 SWSOEIFJHQXBCL-HXUWFJFHSA-N 403.542 3.277 10 40 HGCB Cc1cc(O)c(S(=O)(=O)c2ccccc2)cc1NS(=O)(=O)c1ccccc1 96300974 OKEJHBIOFWQNMW-UHFFFAOYSA-N 403.481 3.334 10 40 HGCB CN1C(=O)C(=Cc2ccc3c(c2)CCN3Cc2ccccc2Cl)C(=O)N(C)C1=O 2335430 SALVVNNIJXIMBZ-UHFFFAOYSA-N 409.873 3.337 10 40 HGCB Cc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2ccc(N3CCCC3)c(F)c2)C1=O 4688483 JZUMEDXOPZUMDB-UYRXBGFRSA-N 422.460 3.266 10 40 HGCB CCOC(=O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/Nc2nccs2)SC1=S 256055839 WFVFDFQDILFUSP-KECPUOCWSA-N 419.553 3.431 10 40 HGCB Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1 408998236 IMJKLDGOOFFBPD-UHFFFAOYSA-N 416.821 3.090 10 40 HGCB CCc1cc(C)cc(OCCOc2cccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c2)c1 4551346 YKRUTOVBFMGPPP-UHFFFAOYSA-N 422.481 3.449 10 40 HGCB CCN1CCc2cc(CN3CCC[C@@H](c4nc(C)c5c(n4)N(C)C(=O)CC5)C3)ccc21 19741496 LSKXMRUCDYVQRV-HXUWFJFHSA-N 419.573 3.456 10 40 HGCB O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)Nc1ccc(F)cc1 33686501 LXISBKNUROBYAX-UHFFFAOYSA-N 403.365 3.397 10 40 HGCB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\Nc3c(C)ccc4nsnc34)C2=O)c1 408534973 XARIPCNNWQPMTJ-UKTHLTGXSA-N 407.455 3.195 10 40 HGCB O=C(O)CN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C1=O 409147168 VCNBMGIPSSUZBM-MLPAPPSSSA-N 407.787 3.419 10 40 HGCB CCN(CC)C(=O)CN1C(=O)[C@@]2(NN=C(c3ccc(C)cc3)S2)c2ccccc21 2478141 HYGFCLWBXWGVTQ-JOCHJYFZSA-N 408.527 3.061 10 40 HGCB COc1ccccc1OCC(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCCC1 13008257 FFZVDRPHQDWHTE-JOCHJYFZSA-N 423.557 3.410 10 40 HGCB COC(=O)c1ccccc1NC1=NC(=O)/C(=C/c2cc(OC)c(O)c(OC)c2)S1 28295120 QKESOGJFEHZHOS-YBEGLDIGSA-N 414.439 3.278 10 40 HGCB CN1C(=O)C(=Cc2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N(C)C1=O 113834192 HYXREMYRRFCWFM-UHFFFAOYSA-N 418.409 3.032 10 40 HGCB O=C1CCCN1c1cccc(NC(=S)NCc2ccc(N3CCOCC3)cc2)c1 225421994 LUMDZYZPLJGQBQ-UHFFFAOYSA-N 410.543 3.137 10 40 HGCB CN1CCN(c2ccc(CNC(=O)Cc3cccc(Br)c3)cc2)CC1 225622977 VCCZLYIWWFQOCG-UHFFFAOYSA-N 402.336 3.060 10 40 HGCB CC1CCC(NC(=O)COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)CC1 6428110 OEOVMSGCVOCGOP-UHFFFAOYSA-N 405.450 3.314 10 40 HGCB COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(Cc4ccc(F)cc4)C3)CC2)cc1 38851153 NPCVFYOCXCTPCK-HXUWFJFHSA-N 411.521 3.395 10 40 HGCB CCCOc1ccc(/C=C2\C(=O)N(CCOC)C(C)=C2C(=O)OC)cc1OCC 12411355 XQIGAKGGGBWQCO-LGMDPLHJSA-N 403.475 3.193 10 40 HGCB COc1ccc(N2CCN(C(=O)NC3(C(F)(F)F)Oc4ccccc4O3)CC2)cc1 2725306 MLKGHBQVXICKER-UHFFFAOYSA-N 423.391 3.214 10 40 HGCB CCN1C(=O)/C(=C\c2ccc3c(c2)CCCN3Cc2ccccc2)C(=O)NC1=S 5793730 WAUOYODSDAKRMM-RGEXLXHISA-N 405.523 3.286 10 40 HGCB OC[C@@H]1CCCN(c2ncc3c(n2)C[C@H]2CC[C@H]3N2Cc2cc(Cl)ccc2O)C1 253615986 CHSMBKBLMHSVAU-WIBUTAKZSA-N 414.937 3.306 10 40 HGCB CCOc1cc2c(cc1/C=C1/C(=O)NC(=O)N(c3cccc(C)c3C)C1=O)OCO2 409107728 UELHHQJMVOFRBH-NVNXTCNLSA-N 408.410 3.097 10 40 HGCB O=C1/C(=C\c2ccc(O)c([N+](=O)[O-])c2)SC(=S)N1c1ccc2c(c1)OCO2 409328438 VHDQWSVNSAHOPT-GIDUJCDVSA-N 402.409 3.435 10 40 HGCB COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)/C1=C\c1ccc(O)c(OC)c1 2621709 DNSZVODJGYVZKP-ZDLGFXPLSA-N 407.422 3.481 10 40 HGCB CN1CCCc2cc([C@@H](CNC(=O)c3ccc(F)c(F)c3)N3CCOCC3)ccc21 13008338 XFBKOACCDRQXMF-JOCHJYFZSA-N 415.484 3.151 10 40 HGCB COC(=O)c1c(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)sc2c1CCC2 16839374 LCIPMTSRQVEMFF-AWEZNQCLSA-N 402.497 3.465 10 40 HGCB C[C@@H](NC(=O)c1ccc(Nc2nncc(=O)[nH]2)cc1)c1ccc(N2CCCCC2)cc1 19719197 WYRQGXWZGMQUNK-MRXNPFEDSA-N 418.501 3.390 10 40 HGCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc(OCc2ccc(C(=O)O)cc2)c1 33700536 UPQZMHKZIHWHOY-STZFKDTASA-N 414.417 3.425 10 40 HGCB CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 56105697 YJQVZCFOGHECMM-UHFFFAOYSA-N 401.532 3.138 10 40 HGCB Cn1c(=O)sc2cc(S(=O)(=O)NCc3ccc(N4CCCCC4)cc3)ccc21 225677081 CJIJLWBRGMKXMG-UHFFFAOYSA-N 417.556 3.069 10 40 HGCB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 16134956 QZHIRRYFYHVYDB-DEOSSOPVSA-N 419.525 3.446 10 40 HGCB CCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3O)C2=O)cc1 16779472 ZHQNAVFBJQOPPU-WJDWOHSUSA-N 400.481 3.337 10 40 HGCB O=C(O)C[C@H](C(=O)O)N1C(=O)/C(=C\c2c(Cl)cccc2Cl)SC1=S 27530408 DAXASHYCRHBKQQ-BZFUBLJMSA-N 406.268 3.123 10 40 HGCB O=S(=O)(c1ccc(NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1)C(F)F 52457772 KSURBZHFNISMRO-UHFFFAOYSA-N 414.449 3.395 10 40 HGCB O=C(O)CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc3c(c1)OCO3)N2 103020671 FKCUFGDZFCIEGA-VVBPWWLESA-N 406.438 3.446 10 40 HGCB N=C1Nc2ccccc2/C1=C1/SC(N2CCN(c3ccccc3F)CC2)=NC1=O 27530496 IQWQKGZYWXWEKS-ZCXUNETKSA-N 407.474 3.391 10 40 HGCB CN(CCc1cnccn1)Cc1cc(Br)cc(Br)c1O 95468646 NTRHYWHWDPGKFT-UHFFFAOYSA-N 401.102 3.382 10 40 HGCB COCCN1C(=O)/C(=C/c2ccc(OC(C)C)cc2)C(=O)N(c2ccccc2)C1=O 4545358 PQQZHKPNZUSYKQ-HKWRFOASSA-N 408.454 3.499 10 40 HGCB COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(N)=O 9188481 WVBOJYYUXQIISG-YVLHZVERSA-N 414.508 3.274 10 40 HGCB COc1ccc(/C=C2/C(=O)N(c3ccccc3F)C(=O)N=C2O)c(OC)c1OC 2287598 HZSBWLJFKXDRGQ-ZRDIBKRKSA-N 400.362 3.358 10 40 HGCB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc1C 8964187 PFTANCMGMNQIOA-QHCPKHFHSA-N 420.557 3.188 10 40 HGCB CCN(CC)c1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c(O)c1 15013006 OXRURXJZVIVVPK-PDGQHHTCSA-N 409.511 3.378 10 40 HGCB Cc1cc(CN2CCN(CCN3CCCC3)CC2)c(C)n1-c1ccc2c(c1)OCO2 22812422 GKCWKQODWMZBLP-UHFFFAOYSA-N 410.562 3.036 10 40 HGCB CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1OC 409372964 OJVUZNCCOGUHIC-NTUHNPAUSA-N 404.806 3.002 10 40 HGCB O=C1N[C@@H](c2cc(Br)c(O)c(Br)c2O)Nc2ccccc21 18192949 WIDDFSORMOONNG-ZDUSSCGKSA-N 414.053 3.477 10 40 HGCB COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 408532883 WNUSGCHABPJHEC-PDGQHHTCSA-N 422.393 3.259 10 40 HGCB O=C(CN1C(=O)/C(=C\c2ccccc2)SC1=S)N1CCN(c2ccccc2)CC1 8819050 ZATQDVFWNKWRBE-XDJHFCHBSA-N 423.563 3.237 10 40 HGCB CCOC(=O)c1ccc(N/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 6599820 HQZDRNZCDYHGGL-WJDWOHSUSA-N 413.817 3.096 10 40 HGCB Cc1cc(C)c(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N(C)C)c(C)c1 9135428 DARRGTJWMBBTEL-QFIPXVFZSA-N 422.573 3.352 10 40 HGCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3cccc(C(=O)O)c3)C2=O)c1 409105030 HWIBIOVCQAGRHQ-CPNJWEJPSA-N 415.405 3.150 10 40 HGCB COc1ccc(/C=C2\SC(=S)N(NC(=O)Cc3ccccc3)C2=O)cc1OC 12564370 BQWQZYSAJNBQKZ-BOPFTXTBSA-N 414.508 3.179 10 40 HGCB CN1CCCc2cc([C@@H](CNC(=O)c3cc4ccccc4oc3=O)N(C)C)ccc21 13008180 KAWIDRWOILDCNT-OAQYLSRUSA-N 405.498 3.208 10 40 HGCB COC(=O)[C@@H](C)N1C(=O)/C(=C/c2cc(Br)ccc2OC)SC1=S 1239097 DVEBHTMHQRNPNH-HLPMDPMVSA-N 416.318 3.220 10 40 HGCB O=C1/C(=C\C=C\c2ccccc2)SC(=S)N1CC(=O)N(CCO)c1ccccc1 1842058 KLVMNAHAQPTQKX-CIOYMBLNSA-N 424.547 3.470 10 40 HGCB CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccc3c(c2)CCCC3)N(C)C)cc1 5098886 BBMVRBLAYVODLG-JOCHJYFZSA-N 401.576 3.213 10 40 HGCB COc1cc(/C=C2\SC(=S)N([C@H](C(=O)O)c3ccccc3)C2=O)ccc1O 13122349 RYBBZFHEKOTILB-IZNAZMGOSA-N 401.465 3.428 10 40 HGCB O=C(NN1C(=O)/C(=C/c2cc3ccccc3oc2=O)SC1=S)c1cccs1 15230464 PLBZFQQDZCCDIE-ZROIWOOFSA-N 414.489 3.401 10 40 HGCB N=C1/C(=C/c2ccc(Br)o2)C(=O)N=C2SC(c3ccncc3)=NN12 33538318 LOWFHUYCSVSOQC-OIFSZIAVSA-N 402.233 3.105 10 40 HGCB COc1cccc(NC(=O)CN(CC(=O)OC(C)(C)C)c2ccc3c(c2)OCO3)c1 79111776 NLBIWGGJXCRXFU-UHFFFAOYSA-N 414.458 3.211 10 40 HGCB Cc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)s1 8801043 OEXXJUDNTALDAO-LJQANCHMSA-N 405.589 3.164 10 40 HGCB COC(=O)c1ccc(-n2c(C)cc([C@H]3NC(N)=Nc4nc5ccccc5n43)c2C)cc1 12619542 OUGIDVRHKJHYPC-FQEVSTJZSA-N 414.469 3.327 10 40 HGCB CN(C)c1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(O)cc3)C2=O)cc1 28294951 MNQHJEYNQFDVJW-BOPFTXTBSA-N 413.524 3.298 10 40 HGCB COc1ccc(OC)c(S(=O)(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)c1 260572607 IEXBKKJNETZFOK-INIZCTEOSA-N 404.532 3.419 10 40 HGCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccc(Br)cn1 95471514 UPYJAWFNNNDXJF-WQLSENKSSA-N 421.638 3.076 10 40 HGCB Cc1cc(N2CCCC2)ccc1/C=C1\NC(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O 408959788 FYAWIYOEWJKTOA-MOSHPQCFSA-N 422.460 3.266 10 40 HGCB Cc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)c(C)n1-c1ccc(Cl)cc1Cl 408588006 AXKUHMQZUBNEKK-MKMNVTDBSA-N 408.241 3.378 10 40 HGCB COc1cccc(CN2CCN(C(O)(c3ccccc3)c3ccccc3)CC2)c1O 19361815 HCHWFPKMZZZOPE-UHFFFAOYSA-N 404.510 3.412 10 40 HGCB COc1cccc(OCC(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)c1 13007840 SALIUHICUXTKKI-DEOSSOPVSA-N 423.557 3.410 10 40 HGCB CCCN1C(=O)/C(=C/c2c(NCC(C)C)nc3ccccn3c2=O)SC1=S 2253045 BYTLHYZPFILMTF-UVTDQMKNSA-N 402.545 3.374 10 40 HGCB O=C1NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C(=O)/C1=C\c1ccccc1OC(=O)c1ccco1 408536551 RXVMOJHGPDBJKY-XWRZFTQFSA-N 420.421 3.149 10 40 HGCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC 408773086 SPMHSXAKKDYADH-XNTDXEJSSA-N 400.818 3.414 10 40 HGCB O=C1NC(=S)N(C2CC2)C(=O)/C1=C/NCCC(c1ccccc1)c1ccccc1 1853952 LLQOQBLAWNADDQ-HMMYKYKNSA-N 405.523 3.088 10 40 HGCB COc1ccc(N2CCN(C(=O)COC(=O)c3cc4c(s3)CCCC4)CC2)cc1 4265872 FWOTXYLXABCJTI-UHFFFAOYSA-N 414.527 3.141 10 40 HGCB CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(OC)c(OC)cc3C)C2=O)c1 408549677 WQUONQAUPHJWPA-LICLKQGHSA-N 410.426 3.077 10 40 HGCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OC(C)C 408814753 SCYUPZKCSXIGMK-GZTJUZNOSA-N 410.426 3.245 10 40 HGCB COc1cccc(OCCn2cccc2/C=C2/C(=N)N3N=C(C)SC3=NC2=O)c1 4548064 RNBPCANNNCGADS-WAHGPNOUSA-N 409.471 3.215 10 40 HGCB Cc1nn(-c2ccc(S(=O)(=O)O)cc2)c(O)c1/N=N/c1cc([N+](=O)[O-])ccc1O 25693468 GMFGVGSPYZRDNG-ISLYRVAYSA-N 419.375 3.162 10 40 HGCB Cc1coc(NS(=O)(=O)c2ccc(/N=N\c3c(N)nc(S)nc3O)cc2)c1C 104090436 GAXNERFBFCPISV-MRCUWXFGSA-N 420.476 3.479 10 40 HGCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(OC)c(Cl)c2)C1=O 409232522 QPBGDNBLXIKBTF-JLHYYAGUSA-N 400.818 3.414 10 40 HGCB CC(/C=C1\SC(=S)N(CC(=O)NC2=NCCS2)C1=O)=C\c1ccccc1 4745638 SGOUUBUNXMLSHK-FNIWZSMSSA-N 403.554 3.053 10 40 HGCB CN1C(=O)C(=Cc2cn(Cc3ccccc3)nc2-c2cccs2)C(=O)N(C)C1=O 7718370 JFGHXKHDQQCIJL-UHFFFAOYSA-N 406.467 3.094 10 40 HGCB COc1ccc(N2CCN(C(=O)CCCNC(=O)c3cc4ccccc4[nH]3)CC2)cc1 13693290 DGWHUXBJLMDXME-UHFFFAOYSA-N 420.513 3.035 10 40 HGCB CC[C@@H](C)Oc1c(OC)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] 107931211 AVFAGHOXUPNGJK-YDRQLGOLSA-N 411.414 3.242 10 40 HGCB COC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)c1 223863738 NZVUGDHQADZPGK-UHFFFAOYSA-N 402.516 3.250 10 40 HGCB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(N3CCCCC3)cc2OC)C1=O 409240551 LGEGFWIDRMBLNZ-GZTJUZNOSA-N 404.488 3.285 10 40 HGCB Cc1cc(N2CCCC2)ccc1CN1CCc2c(nc(-c3ccncc3)[nH]c2=O)C1 12222982 AGOJJFGNEUGLGC-UHFFFAOYSA-N 401.514 3.299 10 40 HGCB CCCN(CCC)c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(C)C1=O 13513756 MXRSZRYPNIKAES-OWBHPGMISA-N 402.545 3.152 10 40 HGCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCc1ccc(C)c(C)c1 408868315 POUWSCLCRKPZGU-UHFFFAOYSA-N 410.495 3.195 10 40 HGCB CN(C)c1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 408949305 ARXAPOPWQSHSKE-HMMYKYKNSA-N 416.506 3.375 10 40 HGCB COc1ccc(N2N=C(C)/C(=C(\C)Nc3ccc(Cn4cncn4)cc3)C2=O)cc1 100422617 MAOJGVYLOVYIJI-QNGOZBTKSA-N 402.458 3.444 10 40 HGCB O=C(C1=CN(c2cccc(Cl)c2)c2cc(F)ccc2S1(=O)=O)N1CCOCC1 49004042 BOTUHBCYSQJYPZ-UHFFFAOYSA-N 422.865 3.105 10 40 HGCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(CCc3ccc(F)cc3)C2=O)cc1 13774583 PNQWWKGQVMHTBH-HMMYKYKNSA-N 409.461 3.376 10 40 HGCB COC(=O)c1cc(N/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1Cl 5602878 FHZOJCOPTVJWGH-GDNBJRDFSA-N 413.817 3.014 10 40 HGCB Cc1ccc(COc2ccc(Cl)cc2C=C2C(=O)NC(=S)NC2=O)cc1C 408872879 KPBKKIJSIPROMP-UHFFFAOYSA-N 400.887 3.450 10 40 HGCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1OCC 408804440 FZMGUEIVPMOBEF-SFQUDFHCSA-N 410.426 3.246 10 40 HGCB O=C1NC(=O)C(=Cc2cc(Cl)ccc2Cc2ccccc2Br)C(=O)N1 408883253 OVXVSNKMEHVJAF-UHFFFAOYSA-N 419.662 3.443 10 40 HGCB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cnn(-c3ccccc3)n2)cc1 8428264 UVBOENJGEAZWSA-NRFANRHFSA-N 405.502 3.155 10 40 HGCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(OCC(F)(F)F)nc1 12543561 DGFQTJPAHJTJOH-UHFFFAOYSA-N 409.408 3.132 10 40 HGCB COc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4O)[C@@H]3C2=O)cc1 13584525 YSVKRYZWYMEBMB-FKBYEOEOSA-N 416.433 3.452 10 40 HGCB CCOc1cccc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)c1O 72393258 NWKHXKPSCFZPPY-INIZCTEOSA-N 406.486 3.316 10 40 HGCB O=C(NCc1ccc(N2CCCC2)cc1)c1cccc(N2CCCCS2(=O)=O)c1 224388639 LHRRLTWATVJHCY-UHFFFAOYSA-N 413.543 3.147 10 40 HGCB CCOc1ccc(Br)cc1/C=C1\SC(=S)N(CC(=O)O)C1=O 409338655 NTXYBCBREPYFJB-WDZFZDKYSA-N 402.291 3.134 10 40 HGCB COc1ccc(N2CCN(C(=O)CCCNC(=O)c3cc4ccccc4o3)CC2)cc1 12324481 KNXKYKLELDQHOI-UHFFFAOYSA-N 421.497 3.300 10 40 HGCB CSCC[C@H](C(=O)O)N1C(=O)/C(=C/c2cccc3nccnc23)SC1=S 13719663 QORRAKRGRGDELQ-FNWMBBJUSA-N 405.526 3.037 10 40 HGCB Cc1c(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(Cl)nn1-c1ccccc1 15945506 HISYMYQKRWOQMQ-LDADJPATSA-N 420.856 3.496 10 40 HGCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc([N+](=O)[O-])ccc3Cl)C2=O)cc1 408739696 DOXVSDWCEAJCJH-XNTDXEJSSA-N 415.789 3.313 10 40 HGCB O=C(NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)c1ccccc1 96018681 RFMSNZDMCISORF-BOPFTXTBSA-N 412.492 3.047 10 40 HGCB COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(N4CCCC4)c(F)c3)C2=O)cc1 5931672 HQSXCKMMFCEKOC-ATVHPVEESA-N 409.417 3.101 10 40 HGCB Cc1cc(/C=C2/NC(=S)NC2=O)c(C)n1-c1ccc(I)cc1 15769319 KEMGIWCGQZDTFA-RIYZIHGNSA-N 423.279 3.044 10 40 HGCB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 16134957 QZHIRRYFYHVYDB-XMMPIXPASA-N 419.525 3.446 10 40 HGCB O=C([C@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1)N1CCCCCC1 19658347 SWSOEIFJHQXBCL-FQEVSTJZSA-N 403.542 3.277 10 40 HGCB CCc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OC)cc3C)C(=O)NC2=S)cc1 408548323 GIIXHYWQUBFFRX-GZTJUZNOSA-N 410.495 3.406 10 40 HGCB COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(F)cc3)C2=O)c(OC)c1 1245724 SNCVHFPHPGTLJP-SXGWCWSVSA-N 418.471 3.389 10 40 HGCB CCN(CCO)C(=O)CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S 2305512 FGMHVPXUCIBDTD-QINSGFPZSA-N 412.964 3.162 10 40 HGCB COc1ccc(N2CCN(C(=S)c3cc(OC)c(OC)c(OC)c3)CC2)cc1 9188023 IESARLLQEBJWLT-UHFFFAOYSA-N 402.516 3.219 10 40 HGCB C[C@H](C(=O)N1CCCC[C@H]1CCO)N1C(=O)/C(=C/c2ccccc2)SC1=S 54360677 PMELIGHKNHXTEV-WYLXNIOLSA-N 404.557 3.040 10 40 HGCB CN(C)S(=O)(=O)c1ccc(CN2CCCc3cc(OC(F)(F)F)ccc32)o1 58411821 AHGAWRKVUKXBAO-UHFFFAOYSA-N 404.410 3.381 10 40 HGCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1O 220975347 QNJJEJVEEZCNIW-NTUHNPAUSA-N 422.384 3.251 10 40 HGCB Cc1cc(C(=O)CSc2nnnn2C[C@@H]2CCCO2)c(C)n1-c1cccc(F)c1 9697412 ONZVYSJYBAROPJ-KRWDZBQOSA-N 415.494 3.374 10 40 HGCB COc1cccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)c1O 102731325 QTHGDONZKVGCNF-RZUBCFFCSA-N 416.433 3.452 10 40 HGCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccccc1OCc1ccc(C(=O)O)cc1 107893745 CEXDFGTUDFXXIA-ZHZULCJRSA-N 414.417 3.425 10 40 HGCB CCOC(=O)COc1ccccc1/C=C1\SC(=S)N(C[C@H]2CCCO2)C1=O 409083279 SFWADKMLXFNEDT-KWZJRMENSA-N 407.513 3.009 10 40 HGCB Cc1ccc(N2C(=O)/C(=C\NN3CCCC[C@@H]3c3cccnc3)C(=O)N=C2S)cc1 6897976 LYPRZQFFNFKLBW-GDLUXTLDSA-N 421.526 3.165 10 40 HGCB COc1nonc1/N=N/N(Cc1ccc(Cl)cc1Cl)c1nonc1OC 6905800 AVZMLWYVTRIWOG-LTGZKZEYSA-N 400.182 3.482 10 40 HGCB C[C@H]1CCC[C@H](NC(=O)c2ccc3c(c2NCCO)C(=O)c2ccccc2C3=O)[C@@H]1C 4834431 ZBMXUUQVKKVKFH-MDOVXXIYSA-N 420.509 3.421 10 40 HGCB O=C1C[C@@H](c2ccncc2)c2c(cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc23)O1 96114166 CIKNPMUSQDPKAK-ZDUSSCGKSA-N 417.373 3.413 10 40 HGCB biogenic Cc1cc(N2CCCC2)ccc1/C=C1\SC(=O)N(CC(=O)NCC(C)C)C1=O 409203473 WNCQQIPUYGZWQC-WQRHYEAKSA-N 401.532 3.404 10 40 HGCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)c(C)n1-c1ccccn1 409246418 ICSZOYUMEBVFJX-FOWTUZBSSA-N 404.401 3.295 10 40 HGCB Cc1cc(C(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)c(C)n1-c1ccccc1 5183189 DSWHCMWAPOJLIR-UHFFFAOYSA-N 401.422 3.370 10 40 HGCB CCC(=O)Nc1ccccc1N/C=C1\C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O 5120423 BYQJOSQBVXLIRN-FOWTUZBSSA-N 406.442 3.231 10 40 HGCB O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(I)cc1 13646177 AEESCJJWUHZLDG-UHFFFAOYSA-N 422.266 3.058 10 40 HGCB COc1ccc(N2CCN(C(=O)c3cc(=O)c(OCc4ccccc4)co3)CC2)cc1 11856502 CLJNJJSCPVMPHD-UHFFFAOYSA-N 420.465 3.190 10 40 HGCB Cc1ccc(/C=C2/C(=O)NN(c3ccc(I)cc3)C2=O)cc1 13576539 RUVUEKVIPSRGLS-GDNBJRDFSA-N 404.207 3.061 10 40 HGCB CC(C)C(=O)N1N=C(c2ccccc2NS(C)(=O)=O)C[C@@H]1c1ccccc1O 8843927 ABIHXKRDVPADMM-GOSISDBHSA-N 401.488 3.097 10 40 HGCB Cc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1C 22733748 ZZTJNTHLLYBNDR-DEOSSOPVSA-N 406.574 3.014 10 40 HGCB CCS(=O)(=O)N1CCC(C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)CC1 222622857 ZIEAJXXZXGVPDB-SFHVURJKSA-N 421.607 3.162 10 40 HGCB COC(=O)c1ccc(N/C=C2\C(=O)NC(=O)N(c3cccc4ccccc34)C2=O)cc1 408530462 IYHPTEUSJCJWAU-QGOAFFKASA-N 415.405 3.205 10 40 HGCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)ccc3O)C2=O)cc1 409337783 VRFIPYYITYRLGR-GDNBJRDFSA-N 415.243 3.384 10 40 HGCB Cn1c(=O)c(C2=NNC(=O)/C2=C\Nc2ccc3ccccc3c2)c(O)c2ccccc21 100261037 PFUNGKGNQMEEJL-AQTBWJFISA-N 410.433 3.227 10 40 HGCB CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C(=O)O)cc2)C1=O 408946564 YXDGSNZVAJPJHH-XNTDXEJSSA-N 414.801 3.103 10 40 HGCB COC(=O)CN1C(=O)/C(=C/c2ccc(OC)c3cccc(OC)c23)SC1=S 409210592 LPLSHZLAWSDRDV-DHDCSXOGSA-N 403.481 3.231 10 40 HGCB C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 225293890 VBAUOMPZLVCHOK-LJQANCHMSA-N 407.558 3.401 10 40 HGCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cccn2-c2cccc(C(=O)O)c2)C1=O 14133206 XJHUNSIOOLSQDU-QGOAFFKASA-N 415.405 3.150 10 40 HGCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1cc2c3c(c1)CCCN3CCC2 1438728 MRYOEQUWHASEFP-XMHGGMMESA-N 403.507 3.217 10 40 HGCB O=[N+]([O-])c1ccc(O)c(CNCCCCCCNCc2cc([N+](=O)[O-])ccc2O)c1 5162080 GXTPJPSEFOOMGD-UHFFFAOYSA-N 418.450 3.354 10 40 HGCB Cn1c(/C=C2/SC(=S)N(NC(=O)c3ccccc3F)C2=O)nc2ccccc21 5236055 BXDYVPCUFVSSEC-XNTDXEJSSA-N 412.471 3.259 10 40 HGCB COc1ccc(/C=C2\SC(N3CCN(c4ccccc4)CC3)=NC2=O)c(OC)c1 5372604 HDAIPUMNQCZRDX-ZHZULCJRSA-N 409.511 3.496 10 40 HGCB O=C(O)[C@@H]1CCCCN1C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 33589865 HSARELGCURJBEA-UROBUVALSA-N 424.569 3.195 10 40 HGCB COC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3cccc(Cl)c3C)c2C)C1=O 408548945 NZRYKVCVNCIUHQ-CXUHLZMHSA-N 401.850 3.122 10 40 HGCB O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc([N+](=O)[O-])o1 408850745 DPERVHGZRDZURU-SOFGYWHQSA-N 412.210 3.326 10 40 HGCB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)o1 409248337 PXZAXKYZGWDNPN-LICLKQGHSA-N 418.365 3.225 10 40 HGCB CCOc1ccc(/C=C2/C(=O)N(CCOC)C(=O)N(c3ccccc3)C2=O)cc1OC 8875170 NZTBPGSQLJGDLU-JXAWBTAJSA-N 424.453 3.119 10 40 HGCB COc1ccc(N2CCN(CC(=O)c3cc(C)n(C[C@H]4CCCO4)c3C)CC2)cc1 89575718 GDNIAHZSXDMYIN-JOCHJYFZSA-N 411.546 3.297 10 40 HGCB COC(=O)c1c(NC(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)sc2c1CCCCCC2 100507654 GWXPNBDKQUNSRF-APYUEPQZSA-N 407.488 3.010 10 40 HGCB CCN(CC)c1ccc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1 409100585 VBGWMTUAQCAGCK-XSFVSMFZSA-N 406.486 3.373 10 40 HGCB Cc1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 409205034 FPZLDHKGSZKKNC-UNOMPAQXSA-N 422.441 3.407 10 40 HGCB CN(C)c1ccc([C@H](CNC(=O)C(=O)NCCC2=CCCCC2)N2CCCC2)cc1 5340803 YXLZQQBHNVNLCJ-QFIPXVFZSA-N 412.578 3.012 10 40 HGCB COc1ccc(N2CCN(C(=O)c3csc(NC(=O)c4ccccc4)n3)CC2)cc1 8806796 FYNAWFNFAJZBHP-UHFFFAOYSA-N 422.510 3.366 10 40 HGCB CSCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc3c(c2)CCCN3C)SC1=S 13735557 PBQSMIPLBZGJDO-YLQKULKDSA-N 422.597 3.477 10 40 HGCB CCc1ccccc1N1C(=O)/C(=C\c2ccc(N3CCN(C)CC3)o2)C(O)=NC1=S 19890470 LIUQYDCGBFNWRX-VKAVYKQESA-N 424.526 3.265 10 40 HGCB C[C@@H](C(=O)NCCc1ccc(O)cc1)N1C(=O)/C(=C/c2cccs2)SC1=S 33545426 JAZNXQBSLTZQLN-IEMQHYRPSA-N 418.565 3.402 10 40 HGCB COc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3C)C(=O)NC2=S)cc1 408960990 PQAHCMDUKNROKO-XSFVSMFZSA-N 421.522 3.435 10 40 HGCB COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCc1ccc2ccccc2c1 575442983 HDMHTCMUGZIYHI-UHFFFAOYSA-N 418.474 3.342 10 40 HGCB COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3OC)C2=O)cc1 1236344 SIJBUFNCZUPPQN-LFIBNONCSA-N 400.481 3.250 10 40 HGCB O=C1NN(c2ccc(I)cc2)C(=O)/C1=C/C=C/c1ccccc1 3068626 VAPBSFMWCBBLOR-LHQXNBGVSA-N 416.218 3.309 10 40 HGCB Oc1ccc(N2C[C@](O)(c3ccc(Br)cc3)[N+]3=C2SCCC3)cc1 4280250 TZNFBCWLGIZAIZ-SFHVURJKSA-O 406.325 3.325 10 40 HGCB CC(C)C(=O)N1N=C(c2ccccc2NS(C)(=O)=O)C[C@H]1c1ccccc1O 8843926 ABIHXKRDVPADMM-SFHVURJKSA-N 401.488 3.097 10 40 HGCB O=C1/C(=C\c2ccccn2)SC(=S)N1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 8870252 MFXNVPMXGLNNNL-NTUHNPAUSA-N 403.401 3.126 10 40 HGCB CN1CCN([C@H](CNC(=O)c2ccccc2Cl)c2ccc3c(c2)CCN3C)CC1 22733738 IZTMWYURSRRJIJ-JOCHJYFZSA-N 412.965 3.051 10 40 HGCB COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCO)c2C)cc1 223578844 YYRSFCMNPXIQQE-YADHBBJMSA-N 422.554 3.463 10 40 HGCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OC 408917255 PWVMKORDFNKSLF-QPEQYQDCSA-N 420.849 3.328 10 40 HGCB Cc1cc(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c(C)n1-c1ccc2c(c1)CCC2 7148879 YBQXJQKDZAOTRA-XMMPIXPASA-N 405.498 3.486 10 40 HGCB CCCCN1C(=O)/C(=C/Nc2ccc(CN3CCCCC3)cc2)C(=O)N=C1S 9359584 QIHYHZOXHGFGNY-NBVRZTHBSA-N 400.548 3.423 10 40 HGCB Cn1c(=O)c(C2=NNC(=O)/C2=C\Nc2cccc3ccccc23)c(O)c2ccccc21 100261079 HHZAKNPPGIHBPR-LGMDPLHJSA-N 410.433 3.227 10 40 HGCB COc1ccccc1OCCN/C(C)=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1C 103916976 QIPLGMCGIXNZAX-ZHZULCJRSA-N 410.430 3.269 10 40 HGCB CCn1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c2ccccc21 409195550 WIFDSMRLLLZIRQ-GZTJUZNOSA-N 419.462 3.191 10 40 HGCB O=C(O)c1cc(N2C(=O)/C(=C\c3ccc4nccnc4c3)SC2=S)ccc1O 13726930 SDTRHHXFBZADGL-LZYBPNLTSA-N 409.448 3.439 10 40 HGCB O=C(C1=CN(c2ccc(Cl)cc2)c2cc(F)ccc2S1(=O)=O)N1CCOCC1 49004044 VZEOVEZIEYBCFI-UHFFFAOYSA-N 422.865 3.105 10 40 HGCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccc(O)cc1 223578445 MQRBNYIHQATACF-SFTDATJTSA-N 408.527 3.160 10 40 HGCB CCN(CC)c1ccc(CNC(=O)c2ccc(N(C)S(=O)(=O)CC)cc2)cc1 224750177 VAGKLXVAPIQZJC-UHFFFAOYSA-N 403.548 3.249 10 40 HGCB COC(=O)c1c(NC(=O)C[C@H]2SC(=N)NC2=O)sc2c1CC[C@@H](C(C)(C)C)C2 8693854 NBJBGYVZDDHBBX-BXKDBHETSA-N 423.560 3.181 10 40 HGCB COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCc1cccc(Cl)c1 408804543 YFKHANXQHNYDIJ-UHFFFAOYSA-N 421.236 3.330 10 40 HGCB Cc1cc(C)cc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)c1 8964056 QABLHNCQTAYYIU-HSZRJFAPSA-N 420.557 3.188 10 40 HGCB Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N(C)C)c1C 9135423 OOBTZKLNEXIBPN-JOCHJYFZSA-N 408.546 3.043 10 40 HGCB CN(C)c1ccc(/C=c2/sc3nc4ccccc4n3c2=O)cc1Br 809040 PQRIUHLXIXELCP-MHWRWJLKSA-N 400.301 3.285 10 40 HGCB O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1CC(=O)N1CCCC[C@@H]1CCO 9430145 RQVCHUOCVVIXSQ-DFSFMLJYSA-N 424.975 3.305 10 40 HGCB Cc1ccc(-c2ccc(/C=C3/C(=O)NC(=S)N(C)C3=O)o2)c(Br)c1 15225513 WXESKYVVTORGIJ-WQLSENKSSA-N 405.273 3.274 10 40 HGCB CCc1ccc(N2NC(=O)/C(=C/c3ccc(-c4ccc(C(N)=O)cc4)o3)C2=O)cc1 32099662 LRTSGDWWHLDPLW-UYRXBGFRSA-N 401.422 3.069 10 40 HGCB O=C(CN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc2c(c1)OCO2 2701126 SXZWGVNNSYAQTR-AUWJEWJLSA-N 404.494 3.317 10 40 HGCB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)C[C@@H]2Oc3ccccc3NC2=O)cc1 7780205 QNZFSLQSKAYVFU-UGKGYDQZSA-N 423.513 3.050 10 40 HGCB CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3cccc(F)c3)N3CCCC3)ccc21 9135596 QFJUPFYNIGVFNK-JOCHJYFZSA-N 424.520 3.100 10 40 HGCB CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C\c1ccc2c(c1)n(C)c(=O)n2C 16160964 UBAJCNBIYMSQKD-ZSOIEALJSA-N 424.844 3.035 10 40 HGCB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(N4CCCC4)c(C)c3)C2=O)o1 107939934 FKSUJHOVJAHVFD-ATVHPVEESA-N 409.442 3.068 10 40 HGCB CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O 408934462 AXQNFEYEPVXXPI-XNTDXEJSSA-N 415.789 3.313 10 40 HGCB O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccc(N2C(=O)CCC2=O)c1 8741831 QKOLQOKUXHUPIN-UHFFFAOYSA-N 424.412 3.368 10 40 HGCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1OCC 408818221 UVMJFCYWHHHXRY-SFQUDFHCSA-N 410.426 3.159 10 40 HGCB Cc1[nH]c2ccccc2c1/C=C1/C(=N)N2N=C(CC(=O)N3CCCC3)SC2=NC1=O 9281209 HUPJJVMZSZULMK-LQFYYXEQSA-N 420.498 3.108 10 40 HGCB COc1ccc(S(=O)(=O)Nc2ccc(O)cc2C(C)=O)cc1Br 95939634 KMVAFYNYMLKIMY-UHFFFAOYSA-N 400.250 3.167 10 40 HGCB CCOC(=O)COc1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 409083683 OLUJGMXNOOWWTF-CCAPLTMGSA-N 407.513 3.009 10 40 HGCB COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c1OC 409241684 SXMOKBYQJOCSOF-ZRDIBKRKSA-N 402.859 3.189 10 40 HGCB COc1ccc(OCCCn2cccc2/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc1 41078262 GXJMOBURHXMCRO-QLDKJHNESA-N 406.442 3.416 10 40 HGCB Cc1cc(C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c(C)n1-c1ccccc1 2618230 NLLXREUISVAZGP-UHFFFAOYSA-N 404.426 3.059 10 40 HGCB COc1ccc2c(c1)CCC1=C2N=C2N=NNN2[C@@H]1c1ccc(N2CCOCC2)cc1 3401338 HMEYWXMOFZLQMW-JOCHJYFZSA-N 416.485 3.487 10 40 HGCB Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 5340556 FGXIEJAYYCYYKU-IBGZPJMESA-N 402.926 3.072 10 40 HGCB O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cccc(C(=O)O)c1 5557210 SJEVQBCHOSKETM-MDWZMJQESA-N 404.494 3.286 10 40 HGCB CCOc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)c(OCC)c1 12363820 YJVQKEMSDAKAHB-PTNGSMBKSA-N 414.458 3.454 10 40 HGCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nc1cc2[nH]c(=O)[nH]c2cc1[N+](=O)[O-] 100958921 ADRZMZZMWSZBNA-WQLSENKSSA-N 412.793 3.136 10 40 HGCB COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(Cc2ccccc2)C1=O 3098771 ALUVJWJEOMNYFG-XNTDXEJSSA-N 415.243 3.120 10 40 HGCB Cc1cc(C)cc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N(C)C)c1 13008551 UEMXWMLKGGXMLM-JOCHJYFZSA-N 408.546 3.043 10 40 HGCB O=C(CCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)N1CCCCC1 32708028 SFLHXJOFKJTHNB-SFQUDFHCSA-N 418.540 3.409 10 40 HGCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2cccc(C(=O)O)c2)cc1 107824015 MOIYSMIZJRNSMT-STZFKDTASA-N 414.417 3.425 10 40 HGCB COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 408582826 FJRXMEOJFYBEME-BOPFTXTBSA-N 409.354 3.380 10 40 HGCB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)o1 5047175 YSQFMGYCMBJISE-VGOFMYFVSA-N 403.437 3.239 10 40 HGCB CCS(=O)(=O)N(C)c1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1 13649023 FWCILBDACVTIHR-UHFFFAOYSA-N 415.559 3.393 10 40 HGCB Cc1cc(C(=O)N[C@@H]2CCCCNC2=O)c(C)n1-c1ccc(Br)cc1 42479884 SZWWKNZLYSWFIR-QGZVFWFLSA-N 404.308 3.255 10 40 HGCB Cc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1N(C)S(C)(=O)=O 222459893 OCOHOSKYHDKBSE-UHFFFAOYSA-N 415.559 3.311 10 40 HGCB O=C1[C@H]([C@@H]2SC(=S)N(Cc3ccco3)C2=O)SC(=S)N1Cc1ccco1 585152497 QXRAZYKTAUNOKO-RYUDHWBXSA-N 424.550 3.031 10 40 HGCB O=S(=O)(O)c1ccc2c(/N=N/c3ccccc3)c(O)c(S(=O)(=O)O)cc2c1 4268073 UWCKWDYDKZIRGN-ISLYRVAYSA-N 408.413 3.454 10 40 HGCB COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 16293053 QVCBGSLJWLNTPR-MOSHPQCFSA-N 420.465 3.315 10 40 HGCB Cc1cc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N(C)C)ccc1F 8798901 UKEDQRPAPFURNN-NRFANRHFSA-N 405.539 3.098 10 40 HGCB CCC(=O)Nc1ccccc1N/C=C1/C(=O)NC(=O)N(CCC2=CCCCC2)C1=O 9089665 OEAXJONGKNFQJT-PEZBUJJGSA-N 410.474 3.300 10 40 HGCB CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1OC 408819640 ZUQWUWHTHGFJLS-RIYZIHGNSA-N 416.817 3.119 10 40 HGCB CC(C)Oc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc1 22589090 BTTMWFIVFUFDNG-DEOSSOPVSA-N 424.589 3.258 10 40 HGCB O=C(O)c1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)cc1O 4357103 WNBKSWZBVSXRBR-UUASQNMZSA-N 401.421 3.225 10 40 HGCB Cc1cc(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 3505432 UINTXDUOSKPVAA-UHFFFAOYSA-N 423.469 3.260 10 40 HGCB aggregator COC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)sc2c1CCCCCC2 4646349 GWXPNBDKQUNSRF-KNPMLCFXSA-N 407.488 3.010 10 40 HGCB Cc1cccc(N(Cc2ccccc2)C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c1 7990378 KJNUNWRKXQNNKA-UHFFFAOYSA-N 407.495 3.026 10 40 HGCB COc1ccc(Oc2c(C)oc3c(CN4CCN(C)CC4)c(O)ccc3c2=O)cc1 19370024 PFTPINSRVAPWOU-UHFFFAOYSA-N 410.470 3.355 10 40 HGCB biogenic COc1ccc(N2CCN(C[C@@H](O)CO[C@@H]3C[C@@H]4CC[C@]3(C)C4(C)C)CC2)cc1 101213968 NFQDBPNUWFYENN-AYEZKCMBSA-N 402.579 3.410 10 40 HGCB COc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1 408951853 KHQIBYUMVCMBPW-CPNJWEJPSA-N 405.385 3.291 10 40 HGCB CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OC 409374330 MNTNYUJYCZFYMQ-NTUHNPAUSA-N 404.806 3.002 10 40 HGCB Cc1ccc(C)n1-c1ccc(C(=O)NN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1 6588967 IUYPGRCEUYKHIC-QHCPKHFHSA-N 402.454 3.206 10 40 HGCB O=C1/C(=C/c2cccs2)SC(=S)N1CCC(=O)N1CCCC[C@@H]1CCO 6660750 JNSQKOWTDKNPMY-DKXRRRNBSA-N 410.586 3.103 10 40 HGCB O=C(CN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1ccc2oc(=O)ccc2c1 13574414 ALPXBRSAHGDSCY-DHDCSXOGSA-N 412.448 3.226 10 40 HGCB CCN(CC)C(=O)c1ccc(N/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 95471470 UGNVIRYUKFJQDC-RGEXLXHISA-N 420.469 3.056 10 40 HGCB Cc1nnc(NC(=O)CN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)s1 4746844 FMPPNNIORNKQEP-WDZFZDKYSA-N 410.933 3.340 10 40 HGCB CN(C)c1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1 4747733 IAYKRFYGTQIKGO-HMMYKYKNSA-N 406.486 3.338 10 40 HGCB Cc1cc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(C)n1-c1cccc(F)c1 5172101 SDYRQSHKUSRBTB-UHFFFAOYSA-N 412.442 3.261 10 40 HGCB COc1ccccc1/C=C1/SC(=S)N(NC(=O)c2ccccc2[N+](=O)[O-])C1=O 12032491 OADVPXJEBYYHQA-XNTDXEJSSA-N 415.452 3.150 10 40 HGCB CC(C)(C)NC(=O)CCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 32708024 NXQMDFWOVUPJHX-XNTDXEJSSA-N 406.529 3.311 10 40 HGCB CSCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc3nccnc3c2)SC1=S 54361132 OTEBQRBFOSVSMA-GFAPJHNFSA-N 405.526 3.037 10 40 HGCB COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1Cc1ccccc1Cl 408876749 NELJOFMTRQFWPS-UHFFFAOYSA-N 405.237 3.342 10 40 HGCB CCOC(=O)COc1ccccc1/C=C1\SC(NC(=O)c2ccccc2)=NC1=O 409132598 KFWVLKBIUVHLRV-ATVHPVEESA-N 410.451 3.029 10 40 HGCB Cc1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccncc4)C3=O)c2C)c1 409393618 RKAGVFJSNZXVDU-DEDYPNTBSA-N 400.438 3.464 10 40 HGCB O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NC1=NCCS1 13810653 NBFBNFYNGRMZMD-ZYENNSECSA-N 417.581 3.443 10 40 HGCB C[C@@H]1CCc2cc(F)ccc2N1/C=C1/C(=O)NC(=S)N(c2ccccc2F)C1=O 98086682 FZLWCGQKBROQCQ-QJMZJAKPSA-N 413.449 3.438 10 40 HGCB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(N(C)C)cc2)NC(SCC(=O)O)=N1 408994013 YBNWQJCAQGDUHR-FQEVSTJZSA-N 424.526 3.483 10 40 HGCB Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(N4CCCC4)c(F)c3)C2=O)cc1 409069412 CVGQUEJJLDABKU-UYRXBGFRSA-N 422.460 3.266 10 40 HGCB Cc1ccc(N2C(=O)/C(=C\NN3CCCC[C@H]3c3cccnc3)C(=O)N=C2S)cc1 6897979 LYPRZQFFNFKLBW-BSKAQADGSA-N 421.526 3.165 10 40 HGCB O=C(c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O)N1CCCCCC1 12754350 TWSHKQAYVNAIOW-UHFFFAOYSA-N 419.459 3.117 10 40 HGCB CN1CCN([C@@H](CNC(=O)c2cccc(Cl)c2)c2ccc3c(c2)CCN3C)CC1 22733741 ZXHPZNDIDWYFQW-QFIPXVFZSA-N 412.965 3.051 10 40 HGCB COc1cc(/C=C2/C(=N)N3N=CSC3=NC2=O)ccc1OC(=O)c1cccc(C)c1 33457848 RNHLBUMKZWAFCV-PRZRADHTSA-N 420.450 3.472 10 40 HGCB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\SC(N3CCOCC3)=NC2=O)o1 4690750 UYQXWRABXPJMNP-BOPFTXTBSA-N 415.427 3.166 10 40 HGCB O=C(NN1C(=O)/C(=C/c2ccncc2)SC1=S)c1ccc(Br)cc1 8735892 FWJCWIWOFIFCFU-LCYFTJDESA-N 420.313 3.390 10 40 HGCB Cc1cc(N2CCCC2)c(F)cc1/C=C1\NC(=O)N(CC(=O)Nc2ccccc2)C1=O 107874401 XGJNBPXZBNAPHY-UYRXBGFRSA-N 422.460 3.266 10 40 HGCB Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccccc2O)C(=O)NC1=S 408743072 UMQHTUJWISSUAX-UKTHLTGXSA-N 417.284 3.294 10 40 HGCB CC(=O)Nc1ccc(N/C=C2/C(=O)NC(=O)N(c3c(C)cc(C)cc3C)C2=O)cc1 6897392 ZYAUHGFHHQGZAM-WQRHYEAKSA-N 406.442 3.149 10 40 HGCB COc1ccc(N2CCN(CCCNC(=O)CSc3ccccc3C)CC2)cc1 24088410 QHIAOJKKEHXNLA-UHFFFAOYSA-N 413.587 3.424 10 40 HGCB O=C(O)c1ccc(N[C@H]2C(=O)c3ccccc3C(=O)[C@@H]2n2nnc3ccccc32)cc1 103527993 SSJPRJJVQQCSHT-WOJBJXKFSA-N 412.405 3.231 10 40 HGCB CCCCOc1ccccc1/C=C1\SC(=S)N([C@@H]2CCS(=O)(=O)C2)C1=O 4980711 KTRBWSIXMFNRTO-VQCBNXJZSA-N 411.570 3.254 10 40 HGCB CCCCC(=O)c1c(NC=C2C(=O)NC(=S)NC2=O)sc2c1CC[C@H](C)C2 40476948 KDTMKHAXLZJQHU-JTQLQIEISA-N 405.545 3.073 10 40 HGCB CCN1CCc2cc(CN3CC[C@](Cc4cc(C(C)C)no4)(C(=O)NC)C3)ccc21 257344070 ZVQNIUJVEKMQKJ-XMMPIXPASA-N 410.562 3.361 10 40 HGCB COc1cccc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)c1OCC(=O)O 409197788 OYBYEWBDULRHRN-OQLLNIDSSA-N 418.496 3.114 10 40 HGCB CN1CCc2cc([C@H](CNS(=O)(=O)c3ccc4c(c3)CCCC4)N(C)C)ccc21 8800653 IJRZCIZZVUXRJO-QHCPKHFHSA-N 413.587 3.139 10 40 HGCB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N(C)C)cc1C 9135448 USAVRKNHEPSOFK-QFIPXVFZSA-N 408.546 3.043 10 40 HGCB O=C(COc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1)Nc1ccccc1 34794787 AYMPRXYVBWJLAL-QNGOZBTKSA-N 413.433 3.166 10 40 HGCB Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1 408955722 YTLRDZMMIRGTGK-WOJGMQOQSA-N 415.405 3.181 10 40 HGCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCCC4)c(F)c3)C2=O)cc1 409092582 XEEDGKUZNTUIKZ-QGOAFFKASA-N 423.444 3.491 10 40 HGCB COc1cc(Cl)c(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OC 408850629 PUEKYMKZALKDSH-NTUHNPAUSA-N 404.781 3.163 10 40 HGCB Cc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N(C)C)cc1C 8798843 GGRCAKIKMQRAEL-JOCHJYFZSA-N 401.576 3.267 10 40 HGCB Cc1cc(C(=O)COc2cccc(S(N)(=O)=O)c2)c(C)n1-c1ccc(F)cc1 84080252 BRUWPBDZOZDIGT-UHFFFAOYSA-N 402.447 3.142 10 40 HGCB COc1ccc(CCN2C(=O)N=C(O)/C(=C/Nc3ccccc3F)C2=O)cc1OC 103121145 BCUNWRUJOBSGGT-OWBHPGMISA-N 413.405 3.300 10 40 HGCB Cc1cc(C(=O)CN2C(=O)c3ccccc3C2=O)c(C)n1-c1ccc2c(c1)OCO2 2645581 RTFIQFGBJZRYGR-UHFFFAOYSA-N 402.406 3.302 10 40 HGCB CC(=O)N1C[C@H](C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)Oc2ccccc21 12564659 PQCQQKISYFOSOO-HSZRJFAPSA-N 407.514 3.449 10 40 HGCB CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3C)C2=O)c1 408846459 NMRONKCPHYXWLV-LDADJPATSA-N 424.453 3.467 10 40 HGCB COC(=O)COc1ccc(/C=C2\C(=O)N(c3ccc(C)cc3)C(C)=C2C(=O)OC)cc1 408868843 NQXOZHFVGNBJLQ-MOSHPQCFSA-N 421.449 3.424 10 40 HGCB CCN(CC)c1ccc(CNC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1 224709194 ALVRMQCYMRIINJ-UHFFFAOYSA-N 415.559 3.393 10 40 HGCB COc1cccc(OC)c1C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCCC1 8963248 KVTQSTUWZDTKGG-FQEVSTJZSA-N 409.530 3.263 10 40 HGCB COCCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)Nc1nccs1 44085871 FICVENLBRNPKMB-UHFFFAOYSA-N 404.517 3.392 10 40 HGCB Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3nc4nc(C)cc(C)n4n3)c2C)cc1 2616264 PZOSFTWRIAZENM-UHFFFAOYSA-N 417.469 3.497 10 40 HGCB COc1ccc(Br)cc1S(=O)(=O)N(C)Cc1ccc(N(C)C)cc1 7146475 XGGHEJUWRHLYIJ-UHFFFAOYSA-N 413.337 3.344 10 40 HGCB C[C@@H](C(=O)Nc1cccc2nonc12)N1C(=O)/C(=C/c2ccccc2)SC1=S 8488736 YOWOAXJLXAPCOM-SAIXKJTDSA-N 410.480 3.451 10 40 HGCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\NCCc1c[nH]c2ccccc12 19824244 CRUVVIFJNKEJLO-ATVHPVEESA-N 408.845 3.120 10 40 HGCB Cc1cc([N+](=O)[O-])c(C)cc1N/C=C1\C(=O)NC(=O)N(c2ccccc2Cl)C1=O 408533744 PACDXSHIGATMHY-FMIVXFBMSA-N 414.805 3.444 10 40 HGCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(ccn4[C@H](C)C(=O)O)c3)C2=O)c1 409191374 WTHSQMXNZLVXLL-CRRKTRLDSA-N 417.421 3.262 10 40 HGCB Cc1cc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)c(C)n1-c1ccc(F)cc1 2660339 CAMRHMQUOCRPFO-UHFFFAOYSA-N 421.428 3.375 10 40 HGCB CC(=O)Nc1ccc(N/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1 9009760 YWAUYPJCEQGWFH-GXDHUFHOSA-N 414.874 3.042 10 40 HGCB Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCC2)c1 9135516 IJMLJYWGGOVIIX-HSZRJFAPSA-N 420.557 3.269 10 40 HGCB CN(C(=O)c1c[nH]nc1[C@H]1CCCN(C(=O)C[C@@H]2CCCCO2)C1)c1ccccc1 257286055 PKAODSUNAMEZDW-HKUYNNGSSA-N 410.518 3.352 10 40 HGCB CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1cccc(C(F)(F)F)c1 12556037 BIMANEHPYVZXAP-UHFFFAOYSA-N 414.449 3.363 10 40 HGCB O=C1/C(=C/c2cccs2)SC(=S)N1CCCC(=O)N1CCCC[C@@H]1CCO 13575671 SQQJKANESHEKGT-UMWKZLPKSA-N 424.613 3.493 10 40 HGCB Cc1cc(/C=C2/C(=O)N(C)C(=O)N=C2O)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 20024849 XSQFPMLPMXKZOJ-VGOFMYFVSA-N 401.806 3.378 10 40 HGCB O=C(CN1C(=O)N/C(=C\c2ccc(N3CCCCC3)cc2)C1=O)Nc1ccccc1 27570981 QYGSANBASWHICN-HKWRFOASSA-N 404.470 3.208 10 40 HGCB CCN(CC)c1ccc(CNC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 223997364 VQMAIZRMBSQYIL-UHFFFAOYSA-N 423.966 3.269 10 40 HGCB COc1cc(N2C(=O)NC(=O)/C(=C\c3ccc(F)cc3)C2=O)c(OC)cc1Cl 408767904 QWOMTNCPKFVILH-KPKJPENVSA-N 404.781 3.163 10 40 HGCB COC(=O)COc1ccc(/C=C2\C(=O)N(c3cccc(C)c3)C(C)=C2C(=O)OC)cc1 408773943 NBOFSQCMIUIEJJ-MOSHPQCFSA-N 421.449 3.424 10 40 HGCB COc1ccc(/C=C2/SC(=S)N([C@H](C)C(=O)O)C2=O)cc1Br 20010392 CHALFGKQROSCGY-PKTIUJEHSA-N 402.291 3.132 10 40 HGCB COc1ccc(NC(=S)NCc2ccc(N3CCN(C)CC3)cc2)c2cccnc12 225777624 FWFRXLAZIMLCNV-UHFFFAOYSA-N 421.570 3.482 10 40 HGCB CC[C@H](C)N1C(=O)/C(=C/N2CCN(Cc3ccc4c(c3)OCO4)CC2)SC1=S 30819337 NLBMUJUDJNXAQW-HIXWQLQUSA-N 419.572 3.033 10 40 HGCB C[C@@H]1CCC[C@@H](NC(=O)c2ccc3c(c2NCCO)C(=O)c2ccccc2C3=O)[C@@H]1C 4834432 ZBMXUUQVKKVKFH-STXHMFSFSA-N 420.509 3.421 10 40 HGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4cccnc4)c3C)C2=O)cc1 408776022 MITOFAFDMXWDOY-UDWIEESQSA-N 400.438 3.464 10 40 HGCB Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(Br)o3)C(=O)NC2=S)c1 409236976 HLYBPOMDNLRHRE-XYOKQWHBSA-N 405.273 3.490 10 40 HGCB O=C(NN1C(=O)S/C(=C/c2cccc(O)c2)C1=S)c1cccc([N+](=O)[O-])c1 1799969 WSEIIZJFRNPLSE-RIYZIHGNSA-N 401.425 3.483 10 40 HGCB Cc1ccc(NC(=O)CN2C(=O)/C(=C3\SC(=S)NC3=O)c3ccccc32)c(C)c1 16733578 LVCRJSROAPHSDG-ZCXUNETKSA-N 423.519 3.148 10 40 HGCB CN(C)c1ccc([C@@H]2NC(=S)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2ccccc2)cc1 57531379 QSIQWSAIMXTUAU-GJYPPUQNSA-N 423.460 3.021 10 40 HGCB CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/Nc2cc(C)on2)SC1=S 618255168 QEXMYTDGLFMYGH-XFNCEPBJSA-N 417.512 3.271 10 40 HGCB COc1cc(/C=C2/C(=O)NN(c3cc(Cl)cc(Cl)c3)C2=O)cc([N+](=O)[O-])c1O 16195091 FHTZFOLPNCAGRD-OIXVIMQBSA-N 424.196 3.077 10 40 HGCB NC(=O)Nc1cc(O)ccc1/N=N/c1ccc(S(=O)(=O)Nc2ccccn2)cc1 17778485 FMEWCSJBOPKQFH-GHVJWSGMSA-N 412.431 3.494 10 40 HGCB COc1ccc(CN2CCC[C@H]2c2nc(-c3ccc(-n4ccnc4)nc3)no2)c(O)c1 35425803 CUMVEEYFBBLEBG-SFHVURJKSA-N 418.457 3.369 10 40 HGCB biogenic,in-vitro Cc1cccc(-n2c(C)cc(C(=O)CSc3nnc(C4CC4)n3CC(N)=O)c2C)c1 48346246 NKHSRTZQOBYXCJ-UHFFFAOYSA-N 423.542 3.332 10 40 HGCB CC(C)[C@@H](C)NC(=O)COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O 6460313 VQULMJCATPLKEX-GFCCVEGCSA-N 413.857 3.433 10 40 HGCB COc1ccc(NC2=NC(=O)/C(=C\c3ccc(OCC(=O)O)c(OC)c3)S2)cc1 16915459 BQJDNUHWKOCVPU-LICLKQGHSA-N 414.439 3.250 10 40 HGCB O=C(NN1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S)c1ccc(O)cc1 16929800 GEMLUKOFHJZCLZ-YVLHZVERSA-N 410.476 3.257 10 40 HGCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)ccc1O 408888333 ZFRWKLOXWITKFU-UKTHLTGXSA-N 400.818 3.419 10 40 HGCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(OC)c(Cl)c3)C2=O)ccc1O 2236034 WNLMFQLXFKEGMZ-JYRVWZFOSA-N 416.817 3.119 10 40 HGCB C[C@H](NS(=O)(=O)c1ccc2c(c1)CC(=O)N2C)c1ccc(N2CCCCC2)cc1 19715518 XLOZFRHICLXYPI-INIZCTEOSA-N 413.543 3.235 10 40 HGCB Cc1cc(C(=O)N2CCN(c3nccs3)CC2)c(C)n1-c1ccc2c(c1)OCCO2 28507359 ASMOLBTVCQXHPT-UHFFFAOYSA-N 424.526 3.284 10 40 HGCB CN1CCCc2cc([C@H](CNC(=O)c3cc4ccccc4oc3=O)N(C)C)ccc21 13008178 KAWIDRWOILDCNT-NRFANRHFSA-N 405.498 3.208 10 40 HGCB COc1ccc(N2CCN([C@H](c3ccc(F)cc3)c3nnnn3C(C)(C)C)CC2)cc1 20139347 BUNGGRIKQGEZNN-OAQYLSRUSA-N 424.524 3.487 10 40 HGCB CCOc1cc(/C=C2/C(=N)N3N=C(N4CCC(C)CC4)SC3=NC2=O)ccc1O 41084670 LNWGZVFYJVUMEE-QBILMKHKSA-N 413.503 3.099 10 40 HGCB COC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)C1=O 108189909 XBLWBTJWEDVXHT-VIZOYTHASA-N 422.268 3.467 10 40 HGCB CCc1ccccc1NC(=O)N/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2C)C1=O 408532178 MBOCPVKDUSHOLH-FOWTUZBSSA-N 406.442 3.154 10 40 HGCB O=C1NC(=S)NC(=O)C1=Cc1c(OCc2cccc(F)c2)ccc2ccccc12 408883130 SXUKKZJMGARMCN-UHFFFAOYSA-N 406.438 3.472 10 40 HGCB CCN(CC)c1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(O)c1 409021756 XKSHNVURGRGKEY-XDHOZWIPSA-N 422.485 3.078 10 40 HGCB C[C@H](NC(=S)Nc1ccc(C(=O)N(C)C)cc1)c1ccc(N2CCOCC2)cc1 225839668 GCMMQGIOVINASG-INIZCTEOSA-N 412.559 3.273 10 40 HGCB CCOC(=O)c1cccc(NC(=S)NCc2ccc(N3CCOCC3)cc2)c1C 225421188 VVRCWORRZJRQSI-UHFFFAOYSA-N 413.543 3.495 10 40 HGCB CN1CCc2cc([C@@H](CNC(=O)c3cc4ccccc4oc3=O)N3CCCC3)ccc21 8963313 HLFXULCZPRYFLS-JOCHJYFZSA-N 417.509 3.352 10 40 HGCB CCN1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)OC)c(OC)c2)SC1=S 9972906 HPXAEOWEVZJQAD-GHXNOFRVSA-N 401.893 3.122 10 40 HGCB O=C1N/C(=C/c2ccc(N3CCCC3)c(F)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 13546714 LWGUNNGWAWCPTO-LDADJPATSA-N 410.405 3.427 10 40 HGCB Cc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)c(C)n1-c1ccccc1C(=O)O 409210683 GFKQHPSFJKFKSW-OVCLIPMQSA-N 416.480 3.078 10 40 HGCB Cc1cc(C(=O)COC(=O)c2nn(C)c(=O)c3ccccc23)c(C)n1-c1ccccc1 2640692 ANIMHCCTHXNMPW-UHFFFAOYSA-N 415.449 3.381 10 40 HGCB O=C(O)c1cc(N2C(=O)/C(=C/c3cnc4ccccc4n3)SC2=S)ccc1O 54361185 MZXBQXJACWVMFM-APSNUPSMSA-N 409.448 3.439 10 40 HGCB COc1ccc(N2CCN(C(=O)Cn3nc(C(F)(F)F)cc3C3CC3)CC2)cc1 27936858 RKVDKYBFHNLSET-UHFFFAOYSA-N 408.424 3.137 10 40 HGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(N(C)C)o3)C2=O)cc1 408851995 PBNSYPVKCJPQTG-MDWZMJQESA-N 418.247 3.083 10 40 HGCB O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccn2ccnc2c1 84350117 VDSMLKWAXQQNEI-UHFFFAOYSA-N 404.392 3.120 10 40 HGCB CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCCC4)cc3)C2=O)c1 408961323 RNOGBJSKJGIDMH-XSFVSMFZSA-N 405.454 3.352 10 40 HGCB Cc1ccc(C)c(NC(=S)NNc2nc(N3CCCC3)nc(N3CCCC3)n2)c1 4331113 NBVWVOPXJQWSFJ-UHFFFAOYSA-N 412.567 3.002 10 40 HGCB Cc1cc(C)cc(C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)c1 16838304 CRKDSWJTIWXJHZ-DEOSSOPVSA-N 407.558 3.489 10 40 HGCB O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc(C(=O)O)cc1 1859050 PPVOSCKLXUULHC-MDWZMJQESA-N 404.494 3.286 10 40 HGCB Cc1nn(-c2ccc(S(=O)(=O)O)cc2)c(O)c1/N=N/c1ccccc1C(=O)O 4280971 AZJMZBLBJDWGDJ-VHEBQXMUSA-N 402.388 3.247 10 40 HGCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(Cl)c1OC 6479367 VWCSNXURBIFLOV-MDWZMJQESA-N 400.818 3.332 10 40 HGCB CCCN1C(=O)/C(=C/c2c(N3CCCC3)nc3c(C)cccn3c2=O)SC1=S 6593224 DHHXTBCLNQPWCI-QINSGFPZSA-N 414.556 3.214 10 40 HGCB CC(C)n1nnnc1[C@@H](c1ccc(N(C)C)cc1)N1CCN(Cc2ccccc2)CC1 19454648 ZKUWRGLWDKLVKG-HSZRJFAPSA-N 419.577 3.227 10 40 HGCB COc1ccc(N(CC(=O)NCC2(N3CCOCC3)CCCCC2)C(C)C)cc1F 58341225 SVHAJYKUIYJXCV-UHFFFAOYSA-N 421.557 3.200 10 40 HGCB CCOc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1OCc1ccccc1Cl 408737488 SGYLRPRWPIBQIB-UHFFFAOYSA-N 416.886 3.232 10 40 HGCB COc1cc(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c1 408873005 QRTYKOXSVUELLY-JYRVWZFOSA-N 419.206 3.263 10 40 HGCB COc1cc(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c1O 408895855 FWLZOVPKSINFSY-OVCLIPMQSA-N 400.818 3.337 10 40 HGCB CN(C)c1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2csnn2)C2CC2)cc1 4858821 MYAFZVGVKIARIQ-IBGZPJMESA-N 413.547 3.009 10 40 HGCB O=C1NC(=O)C(=Cc2cc(Cl)c(OCCOc3ccccc3)c(Cl)c2)C(=O)N1 8874752 QEJHOTHVCMZHQT-UHFFFAOYSA-N 421.236 3.201 10 40 HGCB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\Nc3nc4ccc(C)cc4s3)C2=O)c1 408527246 DBESWNJQTHDYIZ-GXDHUFHOSA-N 406.467 3.800 10 40 HGCB Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(C(N)=O)cc1 409240799 PXKFIEADDCILCV-FYJGNVAPSA-N 414.465 3.286 10 40 HGCB O=C1NC(=O)C(=Cc2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1 409082728 QUZMTNGIQTUUBN-UHFFFAOYSA-N 421.287 3.155 10 40 HGCB Cc1ccc(-c2ccc(/C=C3\SC(=S)N(CC(=O)O)C3=O)o2)c([N+](=O)[O-])c1 33344596 WGEZPZHLFSAVQD-AUWJEWJLSA-N 404.425 3.449 10 40 HGCB CCN(CC)c1ccc(N/C=C2/C(=O)NC(=O)N(CCc3ccccc3)C2=O)cc1 2218394 MYEPPBJIQSGJQI-SILNSSARSA-N 406.486 3.150 10 40 HGCB Cc1cc(N2CCCC2)ccc1/C=C1\NC(=O)N(CC(=O)Nc2ccccc2)C1=O 4688441 AXIQSWBRBKZSIN-ZHZULCJRSA-N 404.470 3.127 10 40 HGCB O=C(O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(/N=N/N2CCCCC2)cc1 9969845 JPJJFZMHMZRKQQ-KFGJJWJMSA-N 416.503 3.145 10 40 HGCB COc1cc(/C=C2/SC(=S)N([C@@H](C(=O)O)C(C)C)C2=O)cc(OC)c1OC 17113040 DGPMJDOZYMZMNL-MAUPQMMJSA-N 411.501 3.023 10 40 HGCB COC(=O)c1c(NC(=O)[C@]23CC[C@](C)(C(=O)C2=O)C3(C)C)sc2c1CCCC2 2172647 IOILIKOBAUUZLO-RTWAWAEBSA-N 403.500 3.317 10 40 HGCB O=C(O)c1ccc(N2C(=O)/C(=C\c3cnc4ccccc4n3)SC2=S)cc1O 13686563 ODTSEKXUUPMZNF-FRKPEAEDSA-N 409.448 3.439 10 40 HGCB Cc1ccc(C(=O)N/C(=C\c2ccc(N(C)C)cc2)C(=O)NC[C@H]2CCCO2)cc1 19880727 CIAXJILLORSUIP-JHRFGPFWSA-N 407.514 3.127 10 40 HGCB CCN(CC)c1ccc(CNS(=O)(=O)c2ccc3c(c2)sc(=O)n3CC)cc1 225700858 NMEHVAHOLUZFSG-UHFFFAOYSA-N 419.572 3.408 10 40 HGCB COCCN(Cc1c(O)ccc2ccc(=O)oc12)C[C@@H]1CCCN2CCCC[C@H]12 524731505 AFEKFINJFJAMSQ-AZUAARDMSA-N 400.519 3.212 10 40 HGCB biogenic COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCCc1ccc(OC)cc1 9059744 IAZCYOSWMCHCLA-JWGURIENSA-N 407.470 3.067 10 40 HGCB COc1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1OCc1ccc(Cl)cc1 59418191 ZLFGFDGWWLPIQV-UHFFFAOYSA-N 414.845 3.361 10 40 HGCB CN1CCc2cc([C@@H](CNS(=O)(=O)Cc3ccc(F)cc3)N3CCCC3)ccc21 8801122 VHIHSFYSJVUQTM-JOCHJYFZSA-N 417.550 3.075 10 40 HGCB O=C1/C(=C/c2cccs2)SC(=S)N1CCCC(=O)N1CCCC[C@H]1CCO 9429784 SQQJKANESHEKGT-DSDLTIFZSA-N 424.613 3.493 10 40 HGCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Cl 17166985 LFARTDMPRJJSBH-NTUHNPAUSA-N 414.801 3.134 10 40 HGCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCc1nc(-c2ccsc2)no1 8129534 POSBPRHAGFZPES-UHFFFAOYSA-N 412.515 3.226 10 40 HGCB COc1cc(/C=C2\SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)ccc1O 13122348 RYBBZFHEKOTILB-DDITZMBXSA-N 401.465 3.428 10 40 HGCB CN1CCCc2cc(CN3CCC[C@H]3c3ccc(C(=O)N4CCOCC4)cn3)ccc21 248143324 QWPHDLOJVSVQCU-DEOSSOPVSA-N 420.557 3.274 10 40 HGCB O=S(=O)(Nc1ccc(NS(=O)(=O)c2cccs2)cc1)c1cccs1 1795676 YNZLXCIQMJRNDG-UHFFFAOYSA-N 400.528 3.411 10 40 HGCB CN(C(=O)c1c[nH]nc1[C@@H]1CCCN(C(=O)C[C@@H]2CCCCN2C)C1)c1ccccc1 257332997 XZPKEJZGWOVXMS-QUCCMNQESA-N 423.561 3.267 10 40 HGCB COC(=O)c1cccc(S(=O)(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)c1 260572593 HNDINTBBCGCFOK-INIZCTEOSA-N 402.516 3.188 10 40 HGCB CC(C)(C)C1(C)OC(=O)C(=Cc2cc([N+](=O)[O-])cc(Br)c2O)C(=O)O1 4508811 IKVQDMQKVSAVDR-UHFFFAOYSA-N 414.208 3.309 10 40 HGCB O=C(CCC(=O)N1CCOCC1)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 10914075 BNXVYDFOZPOEDG-VWLOTQADSA-N 418.493 3.390 10 40 HGCB COc1ccc(CN[C@@H]2CCC(=O)N[C@H]2c2cc(F)cc(F)c2)cc1CN(C)C 12182527 QMOJZSQTXLHMDR-KNQAVFIVSA-N 403.473 3.145 10 40 HGCB CN1C(=O)C(=Cc2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N(C)C1=S 59139245 XADZVCFNICFKCJ-UHFFFAOYSA-N 405.819 3.107 10 40 HGCB COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)ccc1OCc1ccc(Cl)cc1 408914426 PTTVEKROQGMMJB-OQLLNIDSSA-N 416.886 3.184 10 40 HGCB CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc(Cl)c1O 408916320 BUVNJYCPEGLTFY-QPEQYQDCSA-N 420.849 3.415 10 40 HGCB CCOC(=O)C1=C(CN(C)Cc2ccc(N(C)C)cc2)NC(=O)N[C@@H]1c1ccccc1 57270707 ONVOVSIOPMECIP-JOCHJYFZSA-N 422.529 3.056 10 40 HGCB CCOc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C1=O)OCO2 408966142 MYXHDUJXHCSOGR-LZYBPNLTSA-N 408.410 3.097 10 40 HGCB CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2Cl)N2CCCC2)cc1 4330610 WABRMFDHENTYMQ-FQEVSTJZSA-N 414.937 3.298 10 40 HGCB CN1CCCc2cc([C@@H](CNS(=O)(=O)c3ccccc3Cl)N(C)C)ccc21 8798796 IRORSHBQTMHVGJ-LJQANCHMSA-N 407.967 3.304 10 40 HGCB CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\Nc1ccc(S(N)(=O)=O)cc1 13566771 AEZHUITXCOFDET-YBEGLDIGSA-N 404.879 3.014 10 40 HGCB COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccc(C(=O)OC)cc1 35374436 HBXKJZWYYZSHGZ-PDGQHHTCSA-N 422.393 3.259 10 40 HGCB Cc1cc(/C=C2\NC(=O)N(CC(=O)O)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 408595705 RCOFZRLKYXQENQ-UUASQNMZSA-N 408.241 3.378 10 40 HGCB O=C1NC(=O)C(=Cc2cc(Cl)cc(Cl)c2OCc2ccc(F)cc2)C(=O)N1 409044392 BTJGBFULRUKWAV-UHFFFAOYSA-N 409.200 3.461 10 40 HGCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1O 4742999 FZKADEYBCRIIMZ-NTUHNPAUSA-N 402.859 3.194 10 40 HGCB CN1CCN(C(=O)CCCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)CC1 20356364 SGIJNRZPCWUKBV-DTQAZKPQSA-N 423.991 3.095 10 40 HGCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(ccn4[C@@H](C)C(=O)O)c3)C2=O)c1 409191376 WTHSQMXNZLVXLL-QCUKBLKESA-N 417.421 3.262 10 40 HGCB COC(=O)c1ccc(CNC(=O)c2nc(-c3ccc(-n4cccc4)cc3)no2)cc1 4708325 TWKYGFFQNYVCJU-UHFFFAOYSA-N 402.410 3.244 10 40 HGCB O=C(COc1ccc(Cl)cc1)NN1C(=O)/C(=C/c2ccc(O)cc2)SC1=S 28629007 QCHSCVXLVTWFSA-DHDCSXOGSA-N 420.899 3.357 10 40 HGCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccccc1OCc1ccc2c(c1)OCO2 35074575 XNNHJQASBNEYRZ-UYRXBGFRSA-N 414.417 3.456 10 40 HGCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3O)C2=O)c1C 408900216 UCIPOTYLCHYYKO-NTEUORMPSA-N 415.243 3.438 10 40 HGCB CCOc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Cl)c1OCC(=O)OC 409346527 KHPQVHJSMFLXFX-KPKJPENVSA-N 401.893 3.122 10 40 HGCB CCOC(=O)[C@@H]1CCCN(C2=NC(=O)/C(=C/c3ccc(O)c(OCC)c3)S2)C1 4679947 DQBCWMVPDYCROS-RQNDZEIBSA-N 404.488 3.036 10 40 HGCB CN1CCc2cc([C@@H](CNS(=O)(=O)c3cccs3)N3CCCCC3)ccc21 8801554 ZRRDNXMXRUVYTQ-LJQANCHMSA-N 405.589 3.246 10 40 HGCB COc1ccc(N2CCN(CCNC(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 56997170 HBZDLPIXVQBHCQ-UHFFFAOYSA-N 407.436 3.266 10 40 HGCB COc1ccc2c3c(n(CCn4ccc(C)n4)c(=O)c2c1OC)-c1ccccc1C3=O 604404710 JKWXBXCNKIOKRT-UHFFFAOYSA-N 415.449 3.435 10 40 HGCB biogenic CN1C(=O)/C(=C/c2c(NCc3ccccc3)nc3ccccn3c2=O)SC1=S 1454914 JEJSPGZAMFHUSB-PTNGSMBKSA-N 408.508 3.138 10 40 HGCB CC(C)CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 13773971 NPFHIHMQMGBAGQ-NXVVXOECSA-N 404.513 3.125 10 40 HGCB COc1ccccc1N1C(=O)NC(=O)/C(=C\NNc2cccc(Cl)c2Cl)C1=O 408531023 KBJSHEGUTLGVCY-MDZDMXLPSA-N 421.240 3.085 10 40 HGCB COC(=O)Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(c1ccc2c(c1)OCO2)C3 9303948 CVKCRMNHOYUSHO-UHFFFAOYSA-N 423.421 3.211 10 40 HGCB COc1ccc(N2CCN(CCCNC(=O)c3ccc(F)cc3Cl)CC2)cc1 11853400 DQQCFIWXZSESLV-UHFFFAOYSA-N 405.901 3.430 10 40 HGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(C[C@@H]4CCCO4)c3C)C2=O)cc1 409204557 IUDYKSJJSASBNZ-GUBFPNNNSA-N 407.470 3.259 10 40 HGCB CCN1C(=O)/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)C(=O)NC1=S 6517618 ZKHOZVOQKYLRTL-GZTJUZNOSA-N 407.470 3.475 10 40 HGCB COc1cc(/C=C2\C(=O)NN(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC(C)=O 16321843 VXJSNIWKLPOXQJ-OVCLIPMQSA-N 420.343 3.101 10 40 HGCB CCOC(=O)C1CCN(CN2C(=O)/C(=C\c3ccc(OC)cc3)SC2=S)CC1 20028782 WLMOXSANKLBEPU-SFQUDFHCSA-N 420.556 3.129 10 40 HGCB CCCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O 408799803 LKCGCLDDOJLPNW-LDADJPATSA-N 410.426 3.159 10 40 HGCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(C[C@@H]4CCCO4)c3C)C2=O)c1 409200954 UEFRJYAZLQMTBP-GUBFPNNNSA-N 407.470 3.259 10 40 HGCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(N4CCCCC4)o3)C2=O)cc1 4704539 OWZXIWJSMUOSPB-JXAWBTAJSA-N 409.442 3.335 10 40 HGCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/Nc1ccc(C(=O)N2CCOCC2)cc1 5518564 QDQLCXMRRYWGON-PXLXIMEGSA-N 418.497 3.494 10 40 HGCB O=C(NN1C(=O)/C(=C\c2cccc(F)c2)SC1=S)c1ccccc1[N+](=O)[O-] 16672869 KBIBGYNBPJGXHP-NTEUORMPSA-N 403.416 3.280 10 40 HGCB COc1ccc(N2CCN([C@H](c3ccccc3)c3sc4ncnn4c3O)CC2)cc1 22609208 PVAMPUQRTHMDKH-LJQANCHMSA-N 421.526 3.417 10 40 HGCB O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Cl)c(O)c(Cl)c1 409047903 PYKDEDIECDQTER-VZUCSPMQSA-N 422.180 3.274 10 40 HGCB CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCC 409371008 AEVZLFWPCTXSAW-RIYZIHGNSA-N 418.833 3.392 10 40 HGCB COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)/C1=C\c1ccc(C(=O)O)cc1 408532134 SLWFOOXVZFEDPC-PDGQHHTCSA-N 421.405 3.049 10 40 HGCB C[C@@H](C(=O)Nc1ccccc1C(=O)O)N1C(=O)/C(=C\c2ccco2)SC1=S 28296935 TZMIWODHKZZWJM-RSYJBZMQSA-N 402.453 3.206 10 40 HGCB COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1cc(Br)ccc1O 14414451 ZEDRTLKEUWYKRV-BUYRESAOSA-N 422.275 3.006 10 40 HGCB COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)ccc1O 1253604 IOPHHCOAVXUFIW-YBEGLDIGSA-N 400.481 3.255 10 40 HGCB CCNc1nc(NCC)n2c(SCC(=O)Nc3cccc(Cl)c3C)nnc2n1 4570509 ZZKPMZQMPLVMSH-UHFFFAOYSA-N 420.930 3.076 10 40 HGCB CCOc1cc2c(cc1/C=C1\SC(=S)N(CCCC(=O)O)C1=O)O[C@H](C)C2 6510223 DKTMGPNXCJKWOX-FFCYNSPCSA-N 407.513 3.475 10 40 HGCB COc1ccc(OC)c(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)c1 3773564 HLIGUURFMRVECM-NTEUORMPSA-N 406.510 3.312 10 40 HGCB Cc1nnc(NC(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)s1 9804786 DWUIQRCIDAGOCG-UHFFFAOYSA-N 400.445 3.282 10 40 HGCB COc1ccc(C(=O)Oc2ccccc2/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1 33787615 KWUPDHFONSXBSC-HMMYKYKNSA-N 414.417 3.376 10 40 HGCB CCOc1ccc(N2C(=O)/C(=C\c3ccccc3OCC(N)=O)SC2=S)cc1 409345277 LDKKXGRNQBBBDZ-GZTJUZNOSA-N 414.508 3.355 10 40 HGCB COc1cc([C@H]2CC(c3c(C)cc4oc(=O)cc(C)c4c3O)=NN2)cc2c1OCCO2 12389321 FPYKOEABFFURIH-CQSZACIVSA-N 422.437 3.334 10 40 HGCB CSCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc3nccnc3c2)SC1=S 13690130 OTEBQRBFOSVSMA-OZYJXZHSSA-N 405.526 3.037 10 40 HGCB COc1cc(/C=C2/C(=N)N3N=C(COc4ccccc4C)SC3=NC2=O)ccc1O 13751095 IGRJSIOBTBTXQW-ZYBLHRNFSA-N 422.466 3.407 10 40 HGCB COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)ccc1OCc1ccccc1Cl 408913528 LOOBLSLNGYMHRM-NTEUORMPSA-N 416.886 3.184 10 40 HGCB Cc1cc(C)cc(COc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2Cl)c1 408881712 LWCKSVMTGLCQQM-UHFFFAOYSA-N 400.887 3.450 10 40 HGCB Nc1ccc(N(C(c2ccccc2)c2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1 575422766 WLIBIMPWGOAEAQ-YADHBBJMSA-N 408.523 3.023 10 40 HGCB COc1ccc(C2(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)CCOCC2)cc1 19661475 USOUCRVCUKRRKT-LJQANCHMSA-N 424.541 3.457 10 40 HGCB O=C(CN1C(=O)S/C(=C/c2ccc(N3CCOCC3)cc2)C1=O)Nc1ccccc1 9232928 LWHVAPGDIPBVSZ-XMHGGMMESA-N 423.494 3.198 10 40 HGCB c1ccc2c(c1)NC1(CCN(Cc3ccc(N4CCOCC4)cc3)CC1)N1CCN=C21 72327127 MUTNFPZAJSPMND-UHFFFAOYSA-N 417.557 3.003 10 40 HGCB CCOC(=O)c1sc(N2N=C(C)/C(=C\c3cc(OC)ccc3OC)C2=O)nc1C 5979932 XLKXDDCAPAZGHF-XNTDXEJSSA-N 415.471 3.452 10 40 HGCB CN1CCN([C@@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)c2ccc(N(C)C)cc2)CC1 22589399 PCHIDKASECONBV-KENPWYROSA-N 424.633 3.374 10 40 HGCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccccc1O 223578067 VPFBDEYXZHUBFH-RTWAWAEBSA-N 408.527 3.160 10 40 HGCB CCOc1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)N=C2C)ccc1OCC(N)=O 998031 MDMZBJQFFVCYHD-LICLKQGHSA-N 413.861 3.409 10 40 HGCB CN(C)c1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 4663708 YWCUROCPEZRHNC-WJDWOHSUSA-N 414.259 3.182 10 40 HGCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1C(=O)O 6892550 BHMIPBVIXWOHHF-OQLLNIDSSA-N 414.801 3.103 10 40 HGCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCc1nc(-c2cccs2)no1 9322970 DJCGMQOKYCHNDJ-UHFFFAOYSA-N 412.515 3.226 10 40 HGCB O=C(NN1C(=O)/C(=C/c2ccnc3ccccc23)SC1=S)c1cccc(O)c1 13692724 LDFMFYBXPWIWNW-BOPFTXTBSA-N 407.476 3.487 10 40 HGCB CC(C)n1nnnc1[C@H](c1ccc(N(C)C)cc1)N1CCN(c2ccc(F)cc2)CC1 35310840 MOTRBPCGNPWCLZ-QFIPXVFZSA-N 423.540 3.371 10 40 HGCB COc1cc(N2CCOCC2)c(OC)cc1CN1CCN(C)C[C@H]1c1ccccc1 36751993 GSLRIZBNABXRCW-QFIPXVFZSA-N 411.546 3.029 10 40 HGCB COc1ccccc1-c1c(C(F)(F)F)oc2c(CNCCO)c(O)ccc2c1=O 57312251 ZRNSYEORARASLM-UHFFFAOYSA-N 409.360 3.275 10 40 HGCB COc1ccc(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)cc1OC 223697876 HDZKUUDDSWQZPZ-MRXNPFEDSA-N 404.532 3.419 10 40 HGCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2ccc(Br)cc2)C1=O 408539363 VYCVFASLZGQWQH-GXDHUFHOSA-N 400.232 3.336 10 40 HGCB COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)c1O 17779661 QTHGDONZKVGCNF-SJBKTWHCSA-N 416.433 3.452 10 40 HGCB C/C(NCCc1c[nH]cn1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 8775673 OGMPHKUPJAMQKJ-UVTDQMKNSA-N 420.420 3.391 10 40 HGCB O=C1C[C@H](NCCCN2CCOCC2)C(=O)N1c1ccc(/N=N\c2ccccc2)cc1 100712864 DGPKHVBKAVUMDY-WTVYTQLBSA-N 421.501 3.046 10 40 HGCB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)C[C@@H]2Oc3ccccc3NC2=O)cc1 7780206 QNZFSLQSKAYVFU-KNQAVFIVSA-N 423.513 3.050 10 40 HGCB CCCCN1C(=O)[C@@H](C(=O)OCC)[C@H](c2ccc(O)c(O)c2)n2c1nc1ccccc12 20675298 JPVGNBLOKBWLRB-PMACEKPBSA-N 423.469 3.363 10 40 HGCB COc1ccc(N2CCN(CCNC(=O)Cc3cccc4ccccc34)CC2)cc1 56997204 BFCHDIAVZBOLDP-UHFFFAOYSA-N 403.526 3.329 10 40 HGCB CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O 408806053 AKZJZOSEUBDPTM-OQLLNIDSSA-N 415.789 3.313 10 40 HGCB COC(=O)Cn1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c2ccccc21 409133196 MXABYMWYESKYTB-KDVQLTRESA-N 416.524 3.195 10 40 HGCB Cc1ccc(C)c(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCC2)c1 4330655 UORMODAVEQLWQK-QFIPXVFZSA-N 408.546 3.261 10 40 HGCB COC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)sc2c1CCCCCC2 13144953 GWXPNBDKQUNSRF-OJDYBEQGSA-N 407.488 3.010 10 40 HGCB COC(=O)c1[nH]c2ccccc2c1/C=C1/SC(=S)N(CCCC(=O)O)C1=O 13691972 SMXYADCQQUOUOD-UKTHLTGXSA-N 404.469 3.021 10 40 HGCB Cc1cccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(N4CCCC4)cc3C)C2=O)c1 16349635 CCZLVAMBSKAJMC-STZFKDTASA-N 418.497 3.435 10 40 HGCB CC(C)c1cccc(N2C=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccccc32)c1 48989051 IZWCJMROWLXULT-UHFFFAOYSA-N 412.511 3.436 10 40 HGCB O=C1NC(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1ccc(O)cc1O 408722404 IGNDOQVRNLLANZ-VZUCSPMQSA-N 409.250 3.236 10 40 HGCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c(C)n1C(C)C 409195955 XFQLFNORLHIQRC-LICLKQGHSA-N 411.483 3.215 10 40 HGCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(C(=O)O)c(Cl)c1 5756971 NQJGKEVFUFMWIY-MLPAPPSSSA-N 405.193 3.358 10 40 HGCB CN1CCc2cc([C@H](CNS(=O)(=O)c3cccs3)N3CCCCC3)ccc21 8801555 ZRRDNXMXRUVYTQ-IBGZPJMESA-N 405.589 3.246 10 40 HGCB O=C(NN1C(=O)/C(=C/c2cccnc2)SC1=S)c1ccccc1Br 8779017 IITWOQBVUPFKRX-JYRVWZFOSA-N 420.313 3.390 10 40 HGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCOCC4)cc3C)C2=O)cc1C 409108184 VLDYRWFXFUTVEB-KGENOOAVSA-N 419.481 3.115 10 40 HGCB CCN1C(=O)/C(=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)c2ccccc21 409198321 CKKJWSCZERGPNJ-RCCKNPSSSA-N 415.493 3.407 10 40 HGCB Nc1nc(-c2csc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(Cl)c3)n2)cs1 16385618 XHLTUUVYRCIBOI-UHFFFAOYSA-N 417.881 3.211 10 40 HGCB COc1cccc(/C=C2\SC(=S)N(NC(=O)Cc3ccccc3)C2=O)c1OC 5551806 PLJBRYSOXDYPPS-VBKFSLOCSA-N 414.508 3.179 10 40 HGCB O=C1/C(=C/c2ccc(Br)s2)SC(=S)N1CCN1CCOCC1 14201518 YIOAQELXVBKUHP-LUAWRHEFSA-N 419.391 3.044 10 40 HGCB COc1ccc(N(CCC(N)=O)C[C@H](O)COc2c(Cl)cccc2Cl)cc1 21327872 NOYRCQCNLMEUFJ-AWEZNQCLSA-N 413.301 3.124 10 40 HGCB Cc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1cccnc1 786446 CYOJNHOACHFSIJ-GRSHGNNSSA-N 404.401 3.295 10 40 HGCB COc1ccc(N(CCC(N)=O)CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1 8720583 XOGXMIIPPWTEKA-KRWDZBQOSA-N 409.530 3.133 10 40 HGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccc([N+](=O)[O-])cc3Cl)C2=O)cc1C 408535642 UCGDQHKSAPUTRI-NTEUORMPSA-N 414.805 3.444 10 40 HGCB Cc1cc(C(=O)CN2CCN(c3ncccn3)CC2)c(C)n1-c1ccc2c(c1)CCC2 34870819 KFRGVZJNKQAULL-UHFFFAOYSA-N 415.541 3.378 10 40 HGCB O=C1NC(=O)C(=Cc2ccc(Sc3cccc4cccnc34)c([N+](=O)[O-])c2)C(=O)N1 59392010 DBANXKFKNXSHBA-UHFFFAOYSA-N 420.406 3.044 10 40 HGCB Oc1nc(N2CCCCC2)nc2c1CCN(Cc1ccc(N3CCCC3)c(F)c1)C2 72389551 FEJYUHUPXHOCOL-UHFFFAOYSA-N 411.525 3.470 10 40 HGCB COc1ccccc1N/C=C1/C(=O)NC(=S)N(c2ccc(F)c(Cl)c2)C1=O 408551174 LXOZMJYWBVNSBP-LUAWRHEFSA-N 405.838 3.231 10 40 HGCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(O)c(Br)c3)C2=O)c1 408740154 IYSXLDYKBZKQTN-MDWZMJQESA-N 401.216 3.130 10 40 HGCB CC1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1ccc(Oc2ccccc2)cc1 101483228 UXNLWCBIYUZSIO-UOBPLZBXSA-N 411.483 3.180 10 40 HGCB COc1cccc(/C=C2/SC(=S)N(CC(=O)Nc3cccc(O)c3)C2=O)c1 1239551 XHAFJDOIKPWAJW-CXUHLZMHSA-N 400.481 3.241 10 40 HGCB CCN(CC)c1ccc(N/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc1 9076622 MTYLFVFKTZWTEM-SAPNQHFASA-N 424.526 3.285 10 40 HGCB COc1ccc(N(CCC(N)=O)CC(=O)Nc2ccc(Br)c(C)c2)cc1 12522207 KPTRSYHJUQYHPL-UHFFFAOYSA-N 420.307 3.087 10 40 HGCB O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C/c1cccc([N+](=O)[O-])c1 15401561 NMVUHTMHJNFSEB-XMHGGMMESA-N 408.483 3.383 10 40 HGCB CCC(=O)N1CCCc2cc([C@H](O)CN3CCN(c4ccc(OC)cc4)CC3)ccc21 19498890 WORWSOCMCNIKBX-XMMPIXPASA-N 423.557 3.240 10 40 HGCB Cc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c1C 409393290 PQYPAWXUSWAOOF-CPNJWEJPSA-N 400.438 3.464 10 40 HGCB O=C1/C(=C\c2ccccc2)SC(=S)N1CCC(=O)N1CCCC[C@@H]1CCO 6660379 NEHWGKJYZKOKOZ-WECAROLCSA-N 404.557 3.041 10 40 HGCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(OC)c(C)c2OC)C1=O 409239864 RDHVQZFRKYOEBM-NTCAYCPXSA-N 410.426 3.077 10 40 HGCB CCN(CC)c1ccc(CNC(=O)[C@@H](C)N(c2cccc(C)c2)S(C)(=O)=O)cc1 222843729 VVQPFNUNVRLZCV-GOSISDBHSA-N 417.575 3.312 10 40 HGCB COC(=O)[C@@H](C)N1C(=O)/C(=C/c2ccc(OC)c(Br)c2)SC1=S 1276939 GRPVHXKHPRQOTB-HLPMDPMVSA-N 416.318 3.220 10 40 HGCB COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCc1cccc(OC)c1 4736902 KFYMPULGDFMQNA-JCMHNJIXSA-N 423.469 3.033 10 40 HGCB Cc1cc(C(=O)COC(=O)C2CCCCC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 6376660 IGMVQRRVJZRWSO-UHFFFAOYSA-N 418.515 3.048 10 40 HGCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OC 9318916 PZXSQQJICSMPJV-RIYZIHGNSA-N 420.343 3.389 10 40 HGCB COc1ccc(N2CCN(c3c(C)c(C)nc4cc(-c5nccn5C)nn34)CC2)cc1 72338497 JZOCWAAPQDIOSW-UHFFFAOYSA-N 417.517 3.082 10 40 HGCB Cc1cc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])o3)C(=O)N=C2O)ccc1Br 8771960 BBEAWKQFFWPMKX-YRNVUSSQSA-N 420.175 3.130 10 40 HGCB CCOc1cc2c(cc1/C=C1/C(=O)NC(=O)N(c3ccccc3CC)C1=O)OCO2 409106178 QPXUNUWMYHOIRS-DHDCSXOGSA-N 408.410 3.043 10 40 HGCB COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=O)N(c2cccc(F)c2)C1=O 409237322 VXECUBUBZGFNST-XDHOZWIPSA-N 423.444 3.491 10 40 HGCB C/C(NCCc1c[nH]cn1)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 17090561 ZSZCEYFZLQMKOW-HKWRFOASSA-N 416.441 3.175 10 40 HGCB CCN(CC)c1ccc(CNS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)cc1 56105698 OCTUTVRCVXILPO-UHFFFAOYSA-N 415.559 3.310 10 40 HGCB COc1ccc(O)c(CN2CCC(c3nc(C)c(C)c(N4CCOCC4)n3)CC2)c1 72337251 ISUJZZXWKPAEJP-UHFFFAOYSA-N 412.534 3.024 10 40 HGCB CCN(CC)c1ccc(CN2CCc3c(O)nc(N4CCCCC4)nc3C2)c(O)c1 72347215 RRIPQWQDFFPZOL-UHFFFAOYSA-N 411.550 3.283 10 40 HGCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccccn1 223258061 UHHWOYQVYXLZTE-FCHUYYIVSA-N 420.586 3.418 10 40 HGCB COC(=O)c1c(NC(=O)C[C@H]2SC(=N)NC2=O)sc2c1CC[C@H](C(C)(C)C)C2 8693855 NBJBGYVZDDHBBX-JOYOIKCWSA-N 423.560 3.181 10 40 HGCB COC(=O)Cc1c(C)c2ccc(O)c(CNCc3cccc(Cl)c3)c2oc1=O 9485938 XSLLXSWDLRZDEM-UHFFFAOYSA-N 401.846 3.466 10 40 HGCB O=[N+]([O-])c1ccc(/N=N/c2sc(N3CCOCC3)nc2N2CCOCC2)cc1 16400511 STZQIJBVZXHARA-FMQUCBEESA-N 404.452 3.140 10 40 HGCB CC(C)Oc1ccc(-c2nc3s/c(=C/c4ccc(N(C)C)cc4)c(=O)n3n2)cc1 16730550 JHHMOXHYPMAUGA-CPNJWEJPSA-N 406.511 3.219 10 40 HGCB O=C(O)Cn1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c2ccccc21 17082451 IGBYGKQSAPYEBO-TUTDSIAXSA-N 402.497 3.106 10 40 HGCB COc1ccc(N2CCN([C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)CC2)cc1 57548070 IMAMMEIVMUIZLJ-AWEZNQCLSA-N 418.881 3.406 10 40 HGCB CCOc1ccc(Cl)cc1/C=C1\C(=O)N(c2ccc(S(N)(=O)=O)cc2)N=C1C 96193272 NFZYQFJODUNZGA-BOPFTXTBSA-N 419.890 3.192 10 40 HGCB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3O)C2=O)c1 408897419 WUSKNSVUWUZMRT-NTEUORMPSA-N 415.243 3.438 10 40 HGCB O=C(O)c1cccc(N2C(=O)/C(=C/c3ccc(O)c([N+](=O)[O-])c3)SC2=S)c1 2828013 IUCUQSZARKVCKI-AUWJEWJLSA-N 402.409 3.404 10 40 HGCB Cc1ccc(C)c(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCC2)c1 8801056 VVNLKFLSYHBDFH-QFIPXVFZSA-N 413.587 3.411 10 40 HGCB COc1cc(/C=C2/C(=O)N=C(S)N(c3cccc(C)c3)C2=O)cc(OC)c1OC 9300336 OAQNZKFRAMZOLV-DHDCSXOGSA-N 412.467 3.263 10 40 HGCB CCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1 10963515 XTSXAVFCUMNCAP-UHFFFAOYSA-N 415.559 3.247 10 40 HGCB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(O)c(O)c3)[C@H]2C(=O)N1c1ccccc1F 13804091 OOLATHWMEFKARF-NJDAHSKKSA-N 420.396 3.288 10 40 HGCB COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccc2c(c1)OCO2 408584318 OAXRKKPEKQVFBQ-SXGWCWSVSA-N 408.366 3.201 10 40 HGCB CCN(Cc1ccccc1)c1ccc(CN2CCN(CC(=O)NC3CC3)CC2)cc1 22812429 XVKXEZZMTBYZRI-UHFFFAOYSA-N 406.574 3.109 10 40 HGCB CC(C)N1C(=O)/C(=C\Nc2cccc([N+](=O)[O-])c2)C(=O)N(CCc2ccccc2)C1=O 8431318 HCRFQMMODDJMAK-RGEXLXHISA-N 422.441 3.333 10 40 HGCB COc1ccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(F)cc32)cc1 48988606 GLJJIGINBOEZJD-UHFFFAOYSA-N 402.447 3.224 10 40 HGCB O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)N1CCOCC1 1182968 AXJJQOGJQSZOBB-NTCAYCPXSA-N 410.948 3.180 10 40 HGCB O=C1NC(=O)C(=Cc2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)C(=O)N1 409044156 BBEQEPBEDSDLBC-UHFFFAOYSA-N 409.200 3.461 10 40 HGCB O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)N1CCCCC1 4263422 SFLHXJOFKJTHNB-ATVHPVEESA-N 418.540 3.409 10 40 HGCB CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=S)N(C)C2=O)cc1OC 409341409 BMDMYWQVUDELGC-KPKJPENVSA-N 401.893 3.122 10 40 HGCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCCC4)cc3C)C2=O)cc1 408960057 ISQNIWWRHDZDDS-XSFVSMFZSA-N 405.454 3.270 10 40 HGCB COc1cc(/C=C2/SC(Nc3ccccc3C(=O)O)=NC2=O)cc(OC)c1OC 35043413 GDOVXJCIPCHFCG-MHWRWJLKSA-N 414.439 3.493 10 40 HGCB O=C1C[C@@H](c2cccnc2)c2c(cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc23)O1 96114551 AWCSCIFTABHQHU-ZDUSSCGKSA-N 417.373 3.413 10 40 HGCB biogenic COc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=CSC4=NC3=O)c2C)c(OC)c1 4641877 NAKSIMIEKDJJJU-SVQIGFJBSA-N 409.471 3.360 10 40 HGCB Cc1cc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCC2)ccc1F 8801060 SAYKXEVEPWZLIY-QFIPXVFZSA-N 417.550 3.242 10 40 HGCB CCc1nnc(NC(=O)CN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)s1 12273934 PJOBEIQCALLILH-AWTKBBGNSA-N 416.553 3.497 10 40 HGCB CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(F)cc3)N3CCCCC3)ccc21 13007997 UCVVBXYPTIVXMJ-JOCHJYFZSA-N 424.520 3.100 10 40 HGCB O=C1/C(=C\c2ccc(-c3cccc(F)c3)o2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 32593920 KDXJUXYLANOMEC-WFSQQTBHSA-N 423.512 3.474 10 40 HGCB COc1ccc(N2CCN(Cc3nc4sc5c(c4c(=O)[nH]3)CC[C@H](C)C5)CC2)cc1 57945224 CXBTWYRVWOPLCV-HNNXBMFYSA-N 424.570 3.440 10 40 HGCB CCn1c(C)c(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c2ccccc21 107934853 TVMWRJCLCMXJJX-BOPFTXTBSA-N 407.426 3.442 10 40 HGCB Cc1cc([N+](=O)[O-])c(-c2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)o2)cc1Cl 408718531 VSFYDIYFYVXCKU-UHFFFAOYSA-N 403.778 3.250 10 40 HGCB CC[C@@H](C)Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccc(C(=O)O)cc2)C1=O 409192902 GVMSDNLCXBUUOQ-LVLBFHFTSA-N 424.478 3.393 10 40 HGCB COc1ccc(CCN(C)C(=O)C2CCN(Cc3ccccc3O)CC2)cc1OC 4590592 UDWZGWXSSACDIR-UHFFFAOYSA-N 412.530 3.323 10 40 HGCB COc1ccc(N2CCN(C[C@@H](O)COc3ccc(Br)cc3)CC2)cc1 25264979 CRYRDOHHWHMZED-GOSISDBHSA-N 421.335 3.020 10 40 HGCB CCOc1ccccc1N1C[C@@](O)(c2cccc([N+](=O)[O-])c2)[N+]2=C1SCCC2 27525064 LXKWRBDPGQZMCO-HXUWFJFHSA-N 400.480 3.164 10 40 HGCB CC(=O)N1CCC2(CC1)C[C@H](C(=O)NCc1ccc(N(C)C)cc1)c1ccccc1O2 96156837 JKNVVCGUTUQWEH-QFIPXVFZSA-N 421.541 3.316 10 40 HGCB Cc1ccc(NC(=S)NCc2ccc(N3CCOCC3)cc2)cc1N1CCCC1=O 225421933 FATLCUHZRVLGIK-UHFFFAOYSA-N 424.570 3.445 10 40 HGCB CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Cl 693332 LFARTDMPRJJSBH-QPEQYQDCSA-N 414.801 3.134 10 40 HGCB O=C1NC(=O)C(=Cc2ccccc2Oc2ccc(Br)cc2F)C(=O)N1 4050223 TWOSVNVVRBYLFE-UHFFFAOYSA-N 405.179 3.130 10 40 HGCB COc1ccc(OC)c(/C=C2\SC(=S)N([C@@H](CCSC)C(=O)O)C2=O)c1 5501266 MZRHXSZHLGJRSN-CJAAZZPWSA-N 413.542 3.111 10 40 HGCB Cc1nc(CC2CCN(Cc3ccc(N(C)CCO)cc3)CC2)cc(N2CCCC2)n1 19758617 JFQUTLZCJXTWMP-UHFFFAOYSA-N 423.605 3.268 10 40 HGCB Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccc(OCC#N)cc1 33482523 VNXAXWOWPAOAJL-JCMHNJIXSA-N 412.449 3.458 10 40 HGCB CCN(CC)c1ccc(N/C=C2\C(=O)NC(=S)N(c3cccc(OC)c3)C2=O)cc1 2355203 CPCJZUZSRSQFIM-XMHGGMMESA-N 424.526 3.285 10 40 HGCB O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCc1ccc(N2CCOCC2)cc1 10113464 KDUKSMXMLSSVFJ-UHFFFAOYSA-N 415.342 3.450 10 40 HGCB Cc1ccc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1N1CCOCC1 19716621 CNPDGQBRAPUODV-LJQANCHMSA-N 409.530 3.159 10 40 HGCB CCS(=O)(=O)N1CCC(C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)CC1 222623061 PFAOGWVWRHFISK-QZTJIDSGSA-N 421.607 3.162 10 40 HGCB CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)C1 260511860 SSLXVSVLGUAGML-UYAOXDASSA-N 421.607 3.162 10 40 HGCB Cc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccccc3)C2=O)c(C)n1-c1ccccn1 409233576 LCSWCZZHKFMFLZ-UYRXBGFRSA-N 415.453 3.021 10 40 HGCB Cc1cc(Br)c(-c2ccc(C=C3C(=O)NC(=S)NC3=O)o2)cc1C 678646 UCBDKCUPSUQVSS-UHFFFAOYSA-N 405.273 3.240 10 40 HGCB O=C1N=C(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)S/C1=C\c1ccc(O)cc1 13811331 QAJPEGZTJFBKHU-AQTBWJFISA-N 410.455 3.093 10 40 HGCB Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccc(C(=O)O)cc1 34718536 LWKSMOHUOPQRPR-MOSHPQCFSA-N 401.422 3.254 10 40 HGCB Cc1cc(C)c2[nH]c(=O)c(/C=C3/C(=O)NC(=O)N([C@H](C)c4ccccc4)C3=O)cc2c1 41074057 JYQANPRKARRRBA-VUFYJBQKSA-N 415.449 3.368 10 40 HGCB Cc1cc(CN2CCc3c(nc(-c4ccncc4)[nH]c3=O)C2)c(C)n1-c1ccccn1 72336839 BLBIKTNIRZLNKA-UHFFFAOYSA-N 412.497 3.193 10 40 HGCB CC(C)CCN1C(=O)/C(=C/N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)SC1=S 100789015 AMXRKWNJBSHPDX-BWPQUKDSSA-N 403.573 3.015 10 40 HGCB biogenic Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccccc1F 409391145 HQJPDDGSQWQGMH-SFQUDFHCSA-N 404.401 3.295 10 40 HGCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(C(=O)O)cc2)cc1 101348568 SJOIPGHKUZDCPC-STZFKDTASA-N 414.417 3.425 10 40 HGCB O=C1[C@@H]2[C@H]3C=C[C@@](C4OCCO4)(O3)[C@@H]2C(=O)N1c1ccc(/N=N\c2ccccc2)cc1 409289967 PZTDJWYADZUYFE-CNIQCKKUSA-N 417.421 3.288 10 40 HGCB CCn1cccc1/C=C1\C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O 408930697 AXBIURHGLXTZAK-GXDHUFHOSA-N 404.289 3.102 10 40 HGCB Cc1ccnc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCO)c2C)c1 223584068 MLJLZKMJHWJJAF-RTWAWAEBSA-N 407.543 3.157 10 40 HGCB Cc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)c(C)c1 8801015 ANYNRVZVBICCAA-JOCHJYFZSA-N 413.587 3.411 10 40 HGCB Cc1cccc(C)c1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCCC1 8964166 JQTPAOYFPCKOGA-JOCHJYFZSA-N 420.557 3.188 10 40 HGCB O=C(NN1C(=O)/C(=C/C=C/c2ccco2)SC1=S)c1cccc([N+](=O)[O-])c1 5478298 WRCBZVLAZJQUBW-NTOUICHMSA-N 401.425 3.290 10 40 HGCB C[C@@H](NC(=S)Nc1ccc(C(=O)N(C)C)cc1)c1ccc(N2CCOCC2)cc1 225839653 GCMMQGIOVINASG-MRXNPFEDSA-N 412.559 3.273 10 40 HGCB O=C1NN(c2ccc(I)cc2)C(=O)/C1=C/c1ccc(Cl)cc1 1022717 WCCNPLFRSOBQKM-NTEUORMPSA-N 424.625 3.406 10 40 HGCB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)N3CCCC3)C2=O)cc1 4263418 ZLADSKLRLPJWHV-SSZFMOIBSA-N 418.540 3.077 10 40 HGCB O=C1NC(=O)N(CCc2ccccc2)C(=O)/C1=C/C1C[C@@H]2CCCN3CCC[C@@H](C1)C23 33821618 NBLCIDCCOFANIS-NKDIJJBWSA-N 421.541 3.135 10 40 HGCB COc1cc(C2=NN3[C@@H](C2)c2ccccc2OC32CCN(C(C)=O)CC2)ccc1O 4980214 RKNBQARUWHJBDH-IBGZPJMESA-N 407.470 3.283 10 40 HGCB COCCN1C(=O)/C(=C/c2ccc(OC(=O)c3ccco3)c(OC)c2)SC1=S 27017825 XIUZWUJGEFIQIH-WJDWOHSUSA-N 419.480 3.355 10 40 HGCB C[C@@H](C(=O)N1CCCC[C@@H]1CCO)N1C(=O)/C(=C/c2ccccc2)SC1=S 33583024 PMELIGHKNHXTEV-ZNXHOFLXSA-N 404.557 3.040 10 40 HGCB CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C/c1ccc2c(c1)n(C)c(=O)n2C 101513107 UBAJCNBIYMSQKD-RIYZIHGNSA-N 424.844 3.035 10 40 HGCB Nc1c(Br)cc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1Br 4794082 RFUAVFVYQXLPRN-OSLXUSTOSA-N 412.081 3.105 10 40 HGCB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NC(=O)N(c3cccnc3)C2=O)o1 409234156 MNYAERHKDNOGPL-YVLHZVERSA-N 418.365 3.225 10 40 HGCB CCN(CC)c1ccc(CNC(=O)c2ccc(N(C)S(C)(=O)=O)c(C)c2)cc1 224489863 LUDSSZVIONGVSW-UHFFFAOYSA-N 403.548 3.167 10 40 HGCB CCCCOc1ccccc1/C=C1\SC(=S)N([C@H]2CCS(=O)(=O)C2)C1=O 4980714 KTRBWSIXMFNRTO-HNDQUVLASA-N 411.570 3.254 10 40 HGCB COc1cc(/C=C2/C(=O)NN(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC(C)=O 16321841 VXJSNIWKLPOXQJ-NVNXTCNLSA-N 420.343 3.101 10 40 HGCB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\Nc3ccc(Cl)cc3[N+](=O)[O-])C2=O)c1 408531496 OFPOFJMLWVDKCF-UKTHLTGXSA-N 414.805 3.444 10 40 HGCB CC(=O)N(C(=O)/C=C/c1ccccc1)S(=O)(=O)c1ccc(/N=N/N(C)C)cc1 866389 LAPNNDUSLFHEBJ-WZNDTAKVSA-N 400.460 3.024 10 40 HGCB CCOc1ccccc1N1C[C@](O)(c2ccc([N+](=O)[O-])cc2)[N+]2=C1SCCC2 27525066 AABVNMNIUNZPLV-FQEVSTJZSA-N 400.480 3.164 10 40 HGCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1N1CCN(C)CC1 409008134 UJQVNCHTAUYZRZ-HKWRFOASSA-N 405.458 3.153 10 40 HGCB CCN(CC)c1ccc(CNC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc1 225826375 ABRKKPINCAXYFJ-UHFFFAOYSA-N 409.939 3.488 10 40 HGCB Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)NC3=NCCS3)C2=O)cc1 1179596 GQVSWNNHEPPWRK-SDNWHVSQSA-N 405.570 3.195 10 40 HGCB COc1cc2c(cc1C[C@@H]1SC(=S)N(CCc3ccccc3)C1=O)OCO2 8114145 DVKHMICEYNSANW-SFHVURJKSA-N 401.509 3.438 10 40 HGCB O=S(=O)(O)c1ccc2c(/N=N\c3ccccc3)c(O)c(S(=O)(=O)O)cc2c1 17303078 UWCKWDYDKZIRGN-ZCXUNETKSA-N 408.413 3.454 10 40 HGCB Cc1cc(C(=O)N[C@H]2CCCCNC2=O)c(C)n1-c1ccc(Br)cc1 42479886 SZWWKNZLYSWFIR-KRWDZBQOSA-N 404.308 3.255 10 40 HGCB CCCCCCN/C=C1/C(=O)N(CCc2ccc(OC)c(OC)c2)C(=O)N=C1O 103019476 PUDDIWFSSYSZDG-JQIJEIRASA-N 403.479 3.219 10 40 HGCB O=C1/C(=C\c2ccc(Cl)cc2Cl)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 2196564 VMUQRYGWZWRLPN-STCRIKGOSA-N 408.353 3.382 10 40 HGCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)N(C)C)cc1 12412695 IQDMZUKRJXVFQP-PDGQHHTCSA-N 418.906 3.309 10 40 HGCB COc1cccc(C(=O)Oc2ccc(/C=C3/C(=N)N4N=CSC4=NC3=O)cc2)c1 33457413 LDHAAQZUSGWSQH-CSCXBHOMSA-N 406.423 3.163 10 40 HGCB COc1ccc(N(C)CCNC(=O)c2ccc(C)cc2I)cc1 225031272 GMICZBGFGABOIZ-UHFFFAOYSA-N 424.282 3.474 10 40 HGCB COC(=O)c1ccc(C)c(-c2ccc(/C=C3\C(=O)NC(=O)N(C4CCCC4)C3=O)o2)c1 408692406 LVUVGZFMQCUHED-LDADJPATSA-N 422.437 3.446 10 40 HGCB O=C1/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC(=S)N1N1CCOCC1 10232811 PDENRDKYXRTSFR-WJDWOHSUSA-N 417.468 3.303 10 40 HGCB OC1(c2ccccn2)[C@H]2CCC[C@H]1CN(Cc1ccc(N3CCOCC3)c(F)c1)C2 100149124 DWZXXFOJRISKDC-PMACEKPBSA-N 411.521 3.177 10 40 HGCB COc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3O)[C@H]2C1=O 102698372 ZGNWMGQGNCLURU-BHIFYINESA-N 416.433 3.452 10 40 HGCB CCCN1C(=O)/C(=C/c2cc(Br)c(O)c(Br)c2)NC1=S 409086925 BTWLBQSHQVMEQL-POHAHGRESA-N 420.126 3.385 10 40 HGCB COc1ccc(N2CCN([C@H](c3nnnn3Cc3ccc(F)cc3)C(C)C)CC2)cc1 57670851 ABMCJJCWZHKGDK-QFIPXVFZSA-N 424.524 3.388 10 40 HGCB COc1ccc(N2CCN(CC(=O)c3cc(C)n(C[C@@H]4CCCO4)c3C)CC2)cc1 89575715 GDNIAHZSXDMYIN-QFIPXVFZSA-N 411.546 3.297 10 40 HGCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1C[C@@H]1CCCO1 409199808 KBJMBUGGNLAHNA-PYJSORCASA-N 411.433 3.089 10 40 HGCB COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCc1ccccc1OC 4736904 WDGQQBFSVNWWOT-JCMHNJIXSA-N 423.469 3.033 10 40 HGCB CCOc1ccc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1OCC 7381399 ADSTTZWCBXECEV-UHFFFAOYSA-N 420.531 3.004 10 40 HGCB O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Br)ccc1O 408889786 JCZRBUMHGPLRSC-DHZHZOJOSA-N 421.634 3.475 10 40 HGCB Cc1cc(C)cc(COc2ccc(Cl)cc2C=C2C(=O)NC(=S)NC2=O)c1 408879619 HFFHLQRSMBTZNF-UHFFFAOYSA-N 400.887 3.450 10 40 HGCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc3c(ccn3[C@H](C)C(=O)O)c2)C1=O 409191346 WGMIYCKMDWVHPJ-RFRKOGIWSA-N 417.421 3.262 10 40 HGCB CN(C)c1ccc([C@@H]2NC(=S)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccccc2)cc1 57531382 QSIQWSAIMXTUAU-BXWFABGCSA-N 423.460 3.021 10 40 HGCB COc1ccc(N2CCN(CCCNC(=O)COc3c(C)cccc3C)CC2)cc1 24088528 BICOGDKBDWXFKT-UHFFFAOYSA-N 411.546 3.019 10 40 HGCB Cc1ccc(N2NC(=O)/C(=C\c3cc4c(cc3Br)OCO4)C2=O)cc1C 824577 QNPXYRSKQKEITE-MKMNVTDBSA-N 415.243 3.256 10 40 HGCB COc1ccc2ccc(OC)c(/C=C3\C(=O)NC(=O)N(Cc4ccco4)C3=O)c2c1 6182389 MQIULPGRWDAQAW-WOJGMQOQSA-N 406.394 3.112 10 40 HGCB CCOC(=O)C1CCN(C2=NC(=O)/C(=C/c3ccc(O)c(OCC)c3)S2)CC1 6537446 ZBFWXDMULBZCKF-ATVHPVEESA-N 404.488 3.036 10 40 HGCB O=C(CN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccc2nccnc2c1 9476715 ZZGLMMCPMNNWQR-YVLHZVERSA-N 406.492 3.470 10 40 HGCB CC1=NN(c2ccccc2)C(=O)/C1=C\NN1C(=O)c2ccc3c4c(ccc(c24)C1=O)CC3 9972540 LPOVZYAQDKNJJI-MOSHPQCFSA-N 422.444 3.346 10 40 HGCB O=C(CN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)Nc1ccc2c(c1)OCO2 10434320 VTSJTXYAOGJRDK-APSNUPSMSA-N 416.455 3.394 10 40 HGCB O=C(NN1C(=O)/C(=C\C2=Cc3ccccc3OC2)SC1=S)c1cccc(O)c1 13690455 JZRWUIGTRJFHKS-RQZCQDPDSA-N 410.476 3.257 10 40 HGCB CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(C)c3C)N(CC(=O)OC)C2=S)cc1 409059424 NCMKOZHSXGTPHH-UNOMPAQXSA-N 411.527 3.352 10 40 HGCB COC(=O)CN1C(=O)N/C(=C/c2c(C)n(Cc3ccccc3)c3ccccc23)C1=O 408548182 DSKLRMUTJDEKEG-XDHOZWIPSA-N 403.438 3.064 10 40 HGCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4cccnc4)c3C)C2=O)cc1 408788308 CDUOQKWFOFUEAV-UDWIEESQSA-N 416.437 3.164 10 40 HGCB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(N3CCOCC3)=NC2=O)o1 13758054 ZPLXWLKSXXWCGF-BOPFTXTBSA-N 415.427 3.166 10 40 HGCB CCc1ccccc1N(CC(=O)NCc1ccc(N(CC)CC)cc1)S(C)(=O)=O 223299957 RXFKLKXEDMXEFY-UHFFFAOYSA-N 417.575 3.178 10 40 HGCB COC(=O)C1=C(C)N(C)C2=S=C(c3ccccc3)C(=O)N2[C@@H]1c1cccc(OC)c1 584905978 PVKLGNGJYPJJOK-LJQANCHMSA-N 422.506 3.012 10 40 HGCB CCC(CC)C1=NN2C(=N)/C(=C\c3cc(OC)c(O)c(OC)c3)C(=O)N=C2S1 5556913 WJRKIGDUSPWNAK-MLJXOOBISA-N 402.476 3.465 10 40 HGCB CCc1ccccc1N1C(=O)/C(=C2/C(=O)N(CC(=O)O)c3ccccc32)SC1=S 8821632 HMNBUVIVOVNAQM-ZCXUNETKSA-N 424.503 3.456 10 40 HGCB Cc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)o1 12363800 KJPJKKOYAVAXNS-JYRVWZFOSA-N 405.273 3.490 10 40 HGCB CCN(CC)c1ccc(/C=C2\SC(=S)N(NC(=O)c3ccncc3)C2=O)cc1 16790565 BMKZNCUORAMUAY-LGMDPLHJSA-N 412.540 3.474 10 40 HGCB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1cccc(OC)c1OC 17088224 CKXHGDUQOZPSAM-ZHZULCJRSA-N 409.442 3.356 10 40 HGCB Cc1cc(C(=O)CN2CCN(c3nccs3)CC2)c(C)n1-c1ccc2c(c1)OCO2 34868505 WBXIKIUTXNFXNB-UHFFFAOYSA-N 424.526 3.284 10 40 HGCB CCCCCCOc1ccc(Br)cc1C=C1C(=O)NC(=S)NC1=O 408538977 SHKSMGGDSBVDKN-UHFFFAOYSA-N 411.321 3.323 10 40 HGCB CC(=O)Nc1ccc(N/C=C2/C(=O)N=C(S)N(CCC3=CCCCC3)C2=O)cc1 18213150 UODTZNBRWIWFQH-AQTBWJFISA-N 412.515 3.486 10 40 HGCB COC(=O)c1sc(N/C=C2\C(=O)N(c3ccccc3)N=C2C)c(C(=O)OC)c1C 44827034 IOSRIICGGZIKLL-UVTDQMKNSA-N 413.455 3.348 10 40 HGCB CC1(C)CCc2cc(S(=O)(=O)NCc3ccc(N4CCOCC4)cc3)ccc2O1 223705249 QPLYNALYSOBSJO-UHFFFAOYSA-N 416.543 3.105 10 40 HGCB CC(=O)NC1=NC(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)S1 408754102 DKFJGWZLUUKGGE-WQRHYEAKSA-N 409.467 3.119 10 40 HGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)C2=O)cc1 408961679 DHYFVKODWVPXHT-CPNJWEJPSA-N 416.393 3.360 10 40 HGCB COc1ccc(N2CCN(c3nc4c(S(C)(=O)=O)cccc4s3)CC2)cc1 2298161453 QOGJMMIJOISTBY-UHFFFAOYSA-N 403.529 3.035 10 40 HGCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1cccn1Cc1ccccc1F 2222842 CHZOHIRDUPNPMW-PDGQHHTCSA-N 407.376 3.481 10 40 HGCB CCCC[C@@H](NC(=O)CCN1C(=O)/C(=C\c2ccccc2)SC1=S)C(=O)O 5374890 LBPFASWELSBSOV-FQZGENGWSA-N 406.529 3.038 10 40 HGCB Cc1ccc(S(=O)(=O)NN2C(=O)/C(=C/c3cccc(F)c3)SC2=S)cc1 5499474 HGARMNQFOGNNAX-GDNBJRDFSA-N 408.501 3.229 10 40 HGCB CCOC(=O)c1ccccc1NC(=O)C[C@H]1SC(=S)N(Cc2ccco2)C1=O 9189406 KVIHQJJKGDHXNJ-OAHLLOKOSA-N 418.496 3.214 10 40 HGCB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(N4CCCC4)cc3C)C2=O)o1 33732252 COLZCDGVIUHKGM-PDGQHHTCSA-N 409.442 3.068 10 40 HGCB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCN(c3ccc(OC)cc3)CC2)c1C 57483895 HYNFVUKQWQNNLB-KRWDZBQOSA-N 413.518 3.210 10 40 HGCB CCn1cc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc21 874088 BGZFVKMJVRHRBC-SXGWCWSVSA-N 403.394 3.056 10 40 HGCB CS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCc2ccc(N3CCCC3)cc2)c1 30752982 NYVDXDRUSQZDMJ-UHFFFAOYSA-N 407.923 3.242 10 40 HGCB O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccccc1I 32109766 VICRICGSXXZHJU-LCYFTJDESA-N 424.625 3.406 10 40 HGCB COc1cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)cc(Br)c1O 38172451 IFPLXISMJTYRJP-VZUCSPMQSA-N 421.203 3.259 10 40 HGCB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(O)c(O)c3)[C@H]2C(=O)N1Cc1ccccc1 230032511 VWXGOXBOHRFSEE-BHIFYINESA-N 416.433 3.145 10 40 HGCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)ccc1O 409064186 CIWRJAQOEZIWHO-JXMROGBWSA-N 407.209 3.374 10 40 HGCB COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2)C1=O 705278 ALWJFAWHOHWKJN-XNTDXEJSSA-N 415.243 3.433 10 40 HGCB O=C(NN1C(=O)/C(=C\c2cccc(F)c2)SC1=S)c1ccc([N+](=O)[O-])cc1 1799104 OZEOIVCNXUBVHK-NTEUORMPSA-N 403.416 3.280 10 40 HGCB CN1C(=O)/C(=C/c2ccc(C(=O)Nc3ccc(O)cc3C(=O)O)cc2)SC1=S 9253080 UXOBGYANDXUOGZ-NVNXTCNLSA-N 414.464 3.174 10 40 HGCB CN1CCc2cc([C@@H](CNC(=O)c3c(F)cccc3Cl)N3CCOCC3)ccc21 22733343 RMAZUDYIKRVJLX-HXUWFJFHSA-N 417.912 3.275 10 40 HGCB O=C1NN(c2ccc(I)cc2)C(=O)/C1=C\c1ccc(Cl)cc1 32109743 WCCNPLFRSOBQKM-ZROIWOOFSA-N 424.625 3.406 10 40 HGCB O=[N+]([O-])c1ccc(-c2nc(/N=N\c3n[nH]c(-c4ccc([N+](=O)[O-])cc4)n3)n[nH]2)cc1 59386673 RQSVJMVUAOPQLK-VHXPQNKSSA-N 406.322 3.489 10 40 HGCB Cc1ccc(C)c(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCC2)c1 4330662 UORMODAVEQLWQK-JOCHJYFZSA-N 408.546 3.261 10 40 HGCB Cc1ccc(NC(=S)NNc2nc(N3CCCC3)nc(N3CCCC3)n2)cc1C 4331121 UCARNYPOCVISJV-UHFFFAOYSA-N 412.567 3.002 10 40 HGCB O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1CC(=O)N1CCCC[C@H]1CCO 9348517 ZLNLRRVMHSYXTG-NTLYZGGWSA-N 416.568 3.208 10 40 HGCB COc1ccc(N2CCN(C(=O)c3cc(Cl)ccc3OC)CC2)c([N+](=O)[O-])c1 107678496 XQCZWZWMCNZOHB-UHFFFAOYSA-N 405.838 3.228 10 40 HGCB CC(C)CN1C(=O)/C(=C\c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)SC1=S 9223188 YXLKSUMYBNAWGN-CXUHLZMHSA-N 422.553 3.451 10 40 HGCB CC(C)(c1ccccc1)c1cc(CN2CCOCC2)c(O)c(CN2CCOCC2)c1 22863170 GNYZNZSRCSQTPE-UHFFFAOYSA-N 410.558 3.383 10 40 HGCB O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1I 59475161 VICRICGSXXZHJU-UKTHLTGXSA-N 424.625 3.406 10 40 HGCB Cc1ccc(N2NC(=O)/C(=C\c3ccc(Br)c([N+](=O)[O-])c3)C2=O)cc1C 1055752 YEFHOSARJKQBJJ-RIYZIHGNSA-N 416.231 3.436 10 40 HGCB COC(=O)[C@H](Sc1ccccc1N)[C@H]1SC(=S)N(Cc2ccccc2)C1=O 1567366 LWPUVMFRRQVRAK-HZPDHXFCSA-N 418.565 3.332 10 40 HGCB O=C(CN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1ccc(C(=O)O)cc1 2936748 LBEROERBNFLFSB-DHDCSXOGSA-N 416.455 3.364 10 40 HGCB S=C(NNc1nc(N2CCCC2)nc(N2CCCC2)n1)Nc1cccc(Cl)c1 4941993 XKPQOZJAQYJFCL-UHFFFAOYSA-N 418.958 3.039 10 40 HGCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OC 13773799 NUQZODSKJUEHMI-ZSOIEALJSA-N 416.817 3.032 10 40 HGCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1O 408878532 AGWIEGTUEGCNMG-RIYZIHGNSA-N 400.818 3.419 10 40 HGCB COc1ccc(N2CCN(C[C@@H](O)CO[C@@H]3C(C)(C)[C@H]4CC[C@@]3(C)C4)CC2)cc1 100752398 WEAXTKZCSPKKGW-AYEZKCMBSA-N 402.579 3.410 10 40 HGCB CC(=O)Nc1ccc(/C=C2/SC(N3CCN(c4ccccc4)CC3)=NC2=O)cc1 7498883 PNUHCMTUFMTRIA-HMMYKYKNSA-N 406.511 3.438 10 40 HGCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc3c(c2)OCO3)cc1 35128721 VKKZOLSEZGLXLK-NDENLUEZSA-N 414.417 3.456 10 40 HGCB O=S(=O)(NCCc1c[nH]c2ccc(O)cc12)c1cc(Cl)cc(Cl)c1O 5897373 CYQBGXOAZHKOED-UHFFFAOYSA-N 401.271 3.407 10 40 HGCB COc1cc(OC)cc(C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)c1 8963207 DMJCRIKXPQCNKY-HSZRJFAPSA-N 409.530 3.263 10 40 HGCB N=C1/C(=C/c2cccn2Cc2ccccc2F)C(=O)N=C2SC(N3CCCC3)=NN12 41085133 NTCRVIYPLBNJCR-WAKLOXMOSA-N 422.489 3.348 10 40 HGCB O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1cccc(Br)c1 6240864 ITZRXAJGCIEESX-ZROIWOOFSA-N 405.248 3.420 10 40 HGCB O=C(O)COc1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)cc1 20159181 DYDHOFPNGFGPBD-DHDCSXOGSA-N 400.774 3.310 10 40 HGCB CN(C)c1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2csnn2)C2CC2)cc1 4858822 MYAFZVGVKIARIQ-LJQANCHMSA-N 413.547 3.009 10 40 HGCB COc1ccc(N2CCN(C(=O)CCc3nc(-c4ccc(F)cc4)no3)CC2)cc1 8139012 AAAYYIJAKKXSQW-UHFFFAOYSA-N 410.449 3.166 10 40 HGCB COc1ccc(N2CCN([C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)CC2)cc1 57548074 IMAMMEIVMUIZLJ-CQSZACIVSA-N 418.881 3.406 10 40 HGCB O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C\C(Cl)=C\c2ccccc2)SC1=S 102828496 BNCGAKWUQJEJFG-KJPDKCSOSA-N 411.888 3.329 10 40 HGCB COc1ccc(N2N=C(C)/C(=C(\C)Nc3ccc(Cn4cnnc4)cc3)C2=O)cc1 106217223 BPADMQVDUPRBAL-QNGOZBTKSA-N 402.458 3.444 10 40 HGCB O=C(NN1C(=O)/C(=C/C=C/c2ccco2)SC1=S)c1ccccc1[N+](=O)[O-] 1845659 MWAKLOWETMFLIH-OXTPFRESSA-N 401.425 3.290 10 40 HGCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC 408768911 LTRYZPSGLRBKKV-XNTDXEJSSA-N 400.818 3.414 10 40 HGCB Cc1ccc(-n2c(C)cc(C(=O)COC(=O)CN(C)C(=O)c3ccco3)c2C)cc1 40043045 CNLFLCKWKURWSQ-UHFFFAOYSA-N 408.454 3.494 10 40 HGCB COc1cc([C@@H]2CC(=O)Nc3ccc4nn(-c5ccccc5)nc4c32)cc(O)c1O 96117251 PMYUEQRBVQDDHD-AWEZNQCLSA-N 402.410 3.314 10 40 HGCB O=C(NN1C(=O)/C(=C/c2cccc3cccnc23)SC1=S)c1cccc(O)c1 256055395 FKAAVRDCHBUSLP-WJDWOHSUSA-N 407.476 3.487 10 40 HGCB O=C1N=C(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)S/C1=C\c1ccccc1O 5163100 AIRGHPVBQNHECC-AQTBWJFISA-N 410.455 3.093 10 40 HGCB CCN(CCO)C(=O)CCCN1C(=O)/C(=C/C(C)=C/c2ccccc2)SC1=S 5370968 NTZQVVPLDXTFMW-BEQKSFQUSA-N 418.584 3.455 10 40 HGCB Cc1ccc(N2C(=O)/C(=C\NNc3ccc(Br)cc3)C(=O)N=C2O)cc1 16292690 VNAMXGCWJPLBOS-GDNBJRDFSA-N 415.247 3.045 10 40 HGCB Cc1ccc(-n2c(C)cc(C(=O)CN3C(=O)c4ccccc4S3(=O)=O)c2C)cc1 12609643 ZBVDDKTVDXFQMF-UHFFFAOYSA-N 408.479 3.430 10 40 HGCB CC(=O)Nc1nn(-c2ccccc2)c(O)c1/N=N/c1cccc(S(=O)(=O)O)c1 8874765 ZTSJJTCHIYTXDI-FMQUCBEESA-N 401.404 3.198 10 40 HGCB CCN(CC)c1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 225573400 ZTNCQFMEAXMXIR-UHFFFAOYSA-N 415.559 3.247 10 40 HGCB CCc1ccc(/C=C2/C(=O)NN(c3ccc(I)cc3)C2=O)cc1 13576545 VFVJXDBBMLCXDG-WJDWOHSUSA-N 418.234 3.315 10 40 HGCB CC1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccc(Cl)c(C(F)(F)F)c1 13550009 WPEGDUGTNBSWOK-HBZGRHIISA-N 421.828 3.060 10 40 HGCB O=C(O)c1cc(N2C(=O)/C(=C/c3ccc4nccnc4c3)SC2=S)ccc1O 54361143 SDTRHHXFBZADGL-PXNMLYILSA-N 409.448 3.439 10 40 HGCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1O 409406479 KCNLGPGXXBAHPU-JYRVWZFOSA-N 403.232 3.015 10 40 HGCB Cc1ccnc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCO)c2C)c1 223584016 MLJLZKMJHWJJAF-NHCUHLMSSA-N 407.543 3.157 10 40 HGCB O=C1/C(=C/NCCc2c[nH]cn2)C(C(F)(F)F)=NN1c1nc2ccccc2s1 3770732 QJOAAKZGKSIITQ-DHZHZOJOSA-N 406.393 3.001 10 40 HGCB CCOC(=O)c1cc(NC(=O)N2CCN(c3ccc(OC)cc3)CC2)c(C)nc1C 8337959 WXWFLCAIXJNWDQ-UHFFFAOYSA-N 412.490 3.238 10 40 HGCB COc1ccc(N2CCN(C(=S)Nc3cc(OC)c(OC)c(OC)c3)CC2)cc1 17091151 QJUKPIBBTCIVRI-UHFFFAOYSA-N 417.531 3.240 10 40 HGCB CCOC(=O)[C@@H](C)n1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc21 33387113 MJHFCVKKVABRSY-JPVKTXQWSA-N 403.438 3.227 10 40 HGCB COc1cc(Cl)c(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1OC 408851497 ZVYAFYLAZQLOHM-YRNVUSSQSA-N 420.849 3.328 10 40 HGCB CC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccncc4)C3=O)o2)cc1 409390578 FYRRSRIYTZTCOS-LDADJPATSA-N 401.378 3.211 10 40 HGCB O=C1/C(=C\c2ccc(N3CCCCC3)cc2)SC(=S)N1CCN1CCOCC1 96019467 ANXOIGCCOGGNMR-KNTRCKAVSA-N 417.600 3.210 10 40 HGCB COc1cccc(/C=C2/SC(=S)N(NC(=O)c3ccc(F)cc3)C2=O)c1OC 1307786 YSLHBQVPRAEKHS-XNTDXEJSSA-N 418.471 3.389 10 40 HGCB Cc1ccc(N([C@@H](C)C(=O)NCc2ccc(N3CCCC3)cc2)S(C)(=O)=O)cc1 13671658 PZKZQONGPLIWOJ-SFHVURJKSA-N 415.559 3.066 10 40 HGCB COc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)c(C)c3)C(=O)NC2=S)cc1 16282461 MHSHXNBDMVDTCO-XMHGGMMESA-N 421.522 3.435 10 40 HGCB COc1ccc(CCN2C(=O)/C(=C\c3cnn(C)c3C)SC2=S)cc1OC 2730118 RAVPMOUPDVNUED-LICLKQGHSA-N 403.529 3.190 10 40 HGCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OC 33749423 AUSBZZJEJFIMIA-ZROIWOOFSA-N 417.259 3.318 10 40 HGCB CCN1CCN(Cc2c(O)ccc3c(=O)c(-c4ccc(OC)c(OC)c4)coc23)CC1 20567639 YZDGDBVMPXJWAN-UHFFFAOYSA-N 424.497 3.320 10 40 HGCB biogenic COC(=O)[C@@H](C)N1C(=O)S/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)C1=O 206149061 QVNJGOAAJBGAJH-XBDQXEDDSA-N 401.396 3.243 10 40 HGCB Cc1cc(C)c(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N(C)C)c(C)c1 8800544 RMWPITAQOWXWKR-OAQYLSRUSA-N 401.576 3.185 10 40 HGCB COc1ccc(OC)c(/C=C2\SC(=S)N(c3ccccc3C(N)=O)C2=O)c1 16789976 FQEPKQPKHFVBLI-YBEGLDIGSA-N 400.481 3.209 10 40 HGCB CN1C(=O)C(=Cc2cn(CCOc3ccccc3)c3ccccc23)C(=O)N(C)C1=S 6287820 SDAMOSAYEZLVNY-UHFFFAOYSA-N 419.506 3.319 10 40 HGCB COC(=O)c1c(-n2c(C)cc(/C=C3/NC(=S)NC3=O)c2C)sc2c1CCCC2 408785102 XORIIEPDLDAPKE-NTEUORMPSA-N 415.540 3.166 10 40 HGCB O=C1NC(=S)N(C2CC2)C(=O)/C1=C/c1cn(Cc2ccccc2)c2ccccc12 5477872 QUAKTCWWXPCWEA-XDHOZWIPSA-N 401.491 3.479 10 40 HGCB Cc1cccc(N2C(=O)/C(=C/c3cccn3-c3ccc(O)cc3)C(=O)NC2=S)c1 409022803 TVMMPLCGLRORAB-CPNJWEJPSA-N 403.463 3.323 10 40 HGCB COc1ccc(OCC(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc1 8963403 QIPRWANMPMNXAY-HSZRJFAPSA-N 409.530 3.020 10 40 HGCB CS(=O)(=O)c1ccc2c(c1)SC1=NC(=O)/C(=C\c3c[nH]c4ccccc34)C(=N)N12 9239952 JYVLXRACNDZBPH-FIZBDXDJSA-N 422.491 3.441 10 40 HGCB O=C(CN1C(=O)S/C(=C\c2ccc(N3CCCC3)c(F)c2)C1=O)N1CCCCC1 34869540 LALOFGMTAARCIP-AQTBWJFISA-N 417.506 3.475 10 40 HGCB Cc1ccc(N2C(=O)N=C(O)/C(=C/Nn3c(C)cc4ccccc4c3=O)C2=O)cc1 95471084 GPHSDDNARAROIJ-PDGQHHTCSA-N 402.410 3.169 10 40 HGCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1O 409247241 CPLBOUPRFYQBEL-NTUHNPAUSA-N 402.859 3.194 10 40 HGCB COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=O)N(c2ccccc2F)C1=O 409249712 OAPUEGBYXOOROJ-GHRIWEEISA-N 423.444 3.491 10 40 HGCB COc1cccc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)c1OC 409330054 JFOQTCJBEMIBHL-UKTHLTGXSA-N 406.510 3.312 10 40 HGCB Cc1cc(/C=C2\NC(=S)NC2=O)c(C)n1-c1ccc(I)cc1 1198324 KEMGIWCGQZDTFA-ZSOIEALJSA-N 423.279 3.044 10 40 HGCB COc1ccc(/C=C2/SC(=S)N(CC(=O)N3CCC(C)CC3)C2=O)cc1OC 27530656 GDHQVERMCJIDKO-GZTJUZNOSA-N 420.556 3.164 10 40 HGCB Cc1nnc(NC(=O)CN2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)s1 4567609 RISMNWGVOYVVIO-IZZDOVSWSA-N 410.933 3.340 10 40 HGCB COc1cc(Cl)c(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OC 408901395 XSRGLIRTJHUHBZ-RIYZIHGNSA-N 400.818 3.332 10 40 HGCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(OC)c1C 409241332 RGOZVVUWQHSRFW-LFIBNONCSA-N 410.495 3.460 10 40 HGCB NC1=Nc2nc3cc4c(cc3n2[C@H](c2cc(Cl)cc(Cl)c2O)N1)OCCCO4 12550430 IBRYRTHFXVBQEW-MRXNPFEDSA-N 420.256 3.306 10 40 HGCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(Br)ccc1O 16498545 PLSWQTRMRILVAE-UHFFFAOYSA-N 405.292 3.264 10 40 HGCB CC(C)OC(=O)COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl 35154396 CREFOICUWQQDBY-YBEGLDIGSA-N 414.845 3.132 10 40 HGCB NC(=O)Nc1cc(O)ccc1/N=N\c1ccc(S(=O)(=O)Nc2ccccn2)cc1 104286526 FMEWCSJBOPKQFH-FCQUAONHSA-N 412.431 3.494 10 40 HGCB CC1=NN(c2cccc3ccccc23)C(=O)/C1=C\NNS(=O)(=O)c1ccc(C)cc1 100958975 LKBYGYGFADBFAK-ZHZULCJRSA-N 420.494 3.238 10 40 HGCB COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc(OC)c1O 409339421 VJPORWUEEDRFON-MDWZMJQESA-N 422.509 3.017 10 40 HGCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\NC(=O)Nc2cccc3ccccc23)C1=O 408531190 NKYYXDKTGOONRH-GHRIWEEISA-N 414.421 3.437 10 40 HGCB O[C@@]1(c2ccc3c(c2)OCCO3)CN(c2ccc(Cl)cc2)C2=[N+]1CCCS2 4086799 JOWFNOIOCIDRCZ-HXUWFJFHSA-N 403.911 3.282 10 40 HGCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(-c2ccccc2C(=O)O)o1 2240741 LNNYRNULVXUFFX-GZTJUZNOSA-N 420.352 3.450 10 40 HGCB COc1ccc(N2CCN(C(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 3476993 JKRSPBLHWXGHIQ-UHFFFAOYSA-N 409.530 3.071 10 40 HGCB CC(=O)NC1=NC(=O)/C(=C\c2cc(Br)c(O)c(Br)c2)S1 409090482 PRGVELDPWFRWAT-RUDMXATFSA-N 420.082 3.024 10 40 HGCB CC(C)Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccc(C(=O)O)cc2)C1=O 409189509 PXAFOORCOKRLKJ-LFIBNONCSA-N 410.451 3.003 10 40 HGCB COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O 409249529 UPGNOMQMCFLVNY-XMHGGMMESA-N 405.454 3.352 10 40 HGCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1ccc(Br)cc1 16134469 ZEIVCMOLTWGNQH-UHFFFAOYSA-N 403.320 3.487 10 40 HGCB COCCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)Nc1nnc(C)s1 44085874 QHZSOOGYPKUDMD-UHFFFAOYSA-N 419.532 3.096 10 40 HGCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1Cc1ccccc1F 408877475 WDCJRBHNFCENFM-UHFFFAOYSA-N 418.877 3.383 10 40 HGCB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccc2c(c1)OCO2 4263493 RKQLIRGKVRWSCK-OQLLNIDSSA-N 402.453 3.238 10 40 HGCB O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C/Nc1ccccc1N1CCCCC1 5757221 QUKWESXOJWPYRU-OBGWFSINSA-N 404.470 3.251 10 40 HGCB Cc1ccc(N2CCC(C(=O)NCc3ccc(N4CCN(C)CC4)cc3)CC2)cc1 219867310 LLMQCQBRNXTYCJ-UHFFFAOYSA-N 406.574 3.280 10 40 HGCB C[C@@H](C(=O)N1CCCC[C@@H]1CCO)N1C(=O)/C(=C\c2ccccc2)SC1=S 6660660 PMELIGHKNHXTEV-GXEYBBCHSA-N 404.557 3.040 10 40 HGCB C[C@@H](C(=O)N1CCCC[C@H]1CCO)N1C(=O)/C(=C/c2cccc(F)c2)SC1=S 9302972 AQHCKWRJQBUCRM-GIRDLMQZSA-N 422.547 3.179 10 40 HGCB Cc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCCCC1 13008114 AOBCJGQLHGVIDU-HSZRJFAPSA-N 420.557 3.269 10 40 HGCB COc1cc(/C=C2/C(=O)NC(=O)N=C2O)ccc1OC(=O)c1ccc(Cl)cc1 27532442 XSCNRUWHXXBMNI-UHFFFAOYSA-N 400.774 3.158 10 40 HGCB Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3nc4nccc(C)n4n3)c2C)cc1 3381985 FYKYGBZBIRGOLB-UHFFFAOYSA-N 403.442 3.188 10 40 HGCB C[C@@H](c1ccccc1)N1C[C@@H](C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CC1=O 9379520 CFJOXRMBCFWGCD-UGKGYDQZSA-N 421.541 3.091 10 40 HGCB CCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)NC1=S 409389873 AVQGFCMRDKKYEO-FLIBITNWSA-N 405.819 3.155 10 40 HGCB CCN(CC)c1ccc(CNC(=O)c2ccc(C)c(N(C)S(C)(=O)=O)c2)cc1 224745351 ULELNWCZNFDVLC-UHFFFAOYSA-N 403.548 3.167 10 40 HGCB COc1ccc(N2C(=O)/C(=C\c3cccn3-c3ccccc3)C(=O)NC2=S)cc1 4458815 APFIIMKDCGFKFU-RGEXLXHISA-N 403.463 3.317 10 40 HGCB Cc1cccc(NC(=S)NNc2nc(N3CCCC3)nc(N3CCCC3)n2)c1C 4331133 HUNOIOQRNXYZAA-UHFFFAOYSA-N 412.567 3.002 10 40 HGCB Cc1cccc(OCCn2cccc2/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c1 13552040 CWEAJHXLLCZARC-XSFVSMFZSA-N 419.437 3.131 10 40 HGCB COc1ccc(Cl)cc1NC(=O)COc1ccc(N2CCN(C(C)=O)CC2)cc1 32956490 TYLHIUAGZONVGU-UHFFFAOYSA-N 417.893 3.035 10 40 HGCB COCCN1C(=O)/C(=C/c2ccc(O)c(Cl)c2)C(=O)N(c2ccccc2)C1=O 409009394 FFEQBWQWBXQUIP-PTNGSMBKSA-N 400.818 3.071 10 40 HGCB COc1cc(N2CCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2ccccc2C)C1=O 409240987 VZQBTRHYCVZIHF-QGOAFFKASA-N 421.522 3.435 10 40 HGCB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(/N=N\c4ccccc4)cc3)C(=O)[C@@H]12 409278418 DYHWWVNHNDKJDG-KMALNVDNSA-N 417.421 3.478 10 40 HGCB CNS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H](C)c2ccc(N3CCCCC3)cc2)c1 19659640 UJDBBAFGDJQIRL-HNNXBMFYSA-N 419.522 3.215 10 40 HGCB COc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)OCCO4)n2)cc1 11615620 CDEZFFHQKHNFAT-UHFFFAOYSA-N 404.469 3.391 10 40 HGCB COc1ccc(OCC(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1 13007846 VHRHXGNRIOEQRF-DEOSSOPVSA-N 423.557 3.410 10 40 HGCB CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCc1ccc(F)cc1 5718553 OYQLMGILBBOVBE-UHFFFAOYSA-N 412.417 3.237 10 40 HGCB CCN1C(=O)C(=CNc2ccccc2C(=O)c2ccccc2)C(=O)N(CC)C1=S 8484646 LKJSSAATOVRVIE-UHFFFAOYSA-N 407.495 3.209 10 40 HGCB Cc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCC2)c(C)c1 8801014 ANYNRVZVBICCAA-QFIPXVFZSA-N 413.587 3.411 10 40 HGCB Cc1cc(C)cc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCC2)c1 8964055 QABLHNCQTAYYIU-QHCPKHFHSA-N 420.557 3.188 10 40 HGCB CC(=O)Oc1ccc(-n2c(C)cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)c2C)cc1 33803268 LYANWQANAOOILX-HMAPJEAMSA-N 415.449 3.481 10 40 HGCB COc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccc(F)cc2)C(=O)NC1=S 409167770 MZFFSMQJRBHLCU-GHRIWEEISA-N 421.453 3.456 10 40 HGCB COc1ccc(-c2cc(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)nn2C)cc1 19716147 GIXYMERMSAEDOY-QGZVFWFLSA-N 420.513 3.423 10 40 HGCB O=C1N=C(O)/C(=C\NN2CCCC[C@@H]2c2cccnc2)C(=O)N1Cc1ccccc1 38169317 YVIMYHFZDADHDL-YWXUCKCNSA-N 405.458 3.116 10 40 HGCB biogenic CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1O 408890248 QHYJIZWUOHTLID-JYRVWZFOSA-N 402.859 3.276 10 40 HGCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cl)cc3Cl)C2=O)cc1 409216161 FTXRUMCCAXHXOP-RIYZIHGNSA-N 419.220 3.446 10 40 HGCB COc1ccc(CCN2C(=O)/C(=C\c3cn(C)nc3C)SC2=S)cc1OC 2730865 OAWUJZPUCVPPCW-LICLKQGHSA-N 403.529 3.190 10 40 HGCB COc1ccc(N2CCN(C(=O)CN(C)Cc3c(F)cccc3Cl)CC2)cc1 7493888 ZKECIOXQCUWPQD-UHFFFAOYSA-N 405.901 3.268 10 40 HGCB Cc1ccccc1CN1CCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 59384427 GMTDIMXYDMWHQJ-UHFFFAOYSA-N 408.590 3.227 10 40 HGCB CN(C)c1ccc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc1 409210708 KSNXISQZQMGLBI-MOSHPQCFSA-N 421.522 3.374 10 40 HGCB COC(=O)c1ccc(/C=C2/SC(N3CCN(c4ccccc4)CC3)=NC2=O)cc1 35623419 ULKUABRXWMVAJS-XDJHFCHBSA-N 407.495 3.266 10 40 HGCB O=C(O)COc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)N(c2ccccc2)C1=O 1581269 NLBXMCIFPNDABY-DHDCSXOGSA-N 416.436 3.464 10 40 HGCB COc1ccc(N2CCN(CCCNC(=O)COc3ccc(Cl)cc3)CC2)cc1 9919422 YHWVWYOLDRSWLD-UHFFFAOYSA-N 417.937 3.056 10 40 HGCB O=C(C1=CN(c2ccc3c(c2)OCO3)c2ccccc2S1(=O)=O)N1CCCCC1 48989042 HSLIBUJQDKUBQU-UHFFFAOYSA-N 412.467 3.195 10 40 HGCB COc1cc(C2=NN3[C@H](C2)c2ccccc2OC32CCN(C(C)=O)CC2)ccc1O 4980216 RKNBQARUWHJBDH-LJQANCHMSA-N 407.470 3.283 10 40 HGCB C[C@H](C(=O)Nc1cccc(C(=O)O)c1)N1C(=O)/C(=C\c2ccco2)SC1=S 28296940 LMWHHMQBOMRGLA-GMROUXNLSA-N 402.453 3.206 10 40 HGCB C[C@@H](Oc1ccc2ccccc2c1/C=C1/C(=O)NN(c2ccccc2)C1=O)C(=O)O 33385602 NYVYTUYSNAHEGD-RMENWYJGSA-N 402.406 3.153 10 40 HGCB Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(O)cc3)C(=O)NC2=S)cc1 409021754 XFYZERNHXHXPII-CPNJWEJPSA-N 403.463 3.323 10 40 HGCB O=C(NN1C(=O)/C(=C\c2ccccc2)SC1=S)c1cc(=O)[nH]c2ccccc12 28629059 ZYYPLHPMMBPTIG-MHWRWJLKSA-N 407.476 3.074 10 40 HGCB OC1(c2ccccn2)[C@@H]2CCC[C@@H]1CN(Cc1ccc(N3CCOCC3)c(F)c1)C2 100149119 DWZXXFOJRISKDC-WOJBJXKFSA-N 411.521 3.177 10 40 HGCB O=C1[C@H]2[C@H](C(=O)N1c1ccc(/N=N\c3ccccc3)cc1)[C@@]1(C3OCCO3)C=C[C@H]2O1 409289970 PZTDJWYADZUYFE-WDGVTTAHSA-N 417.421 3.288 10 40 HGCB CCN(CC)c1ccc(/C=C2\C(=O)NN(c3ccc(F)c(Cl)c3)C2=O)c(O)c1 1438241 IKRVVZFMUCSRBH-OQLLNIDSSA-N 403.841 3.492 10 40 HGCB O=C(NN1C(=O)/C(=C\C=C\c2ccco2)SC1=S)c1ccccc1[N+](=O)[O-] 5553124 MWAKLOWETMFLIH-HNBAAQFOSA-N 401.425 3.290 10 40 HGCB O=C(COC(=O)/C=C/c1ccco1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 5903616 CXRNHBDMNLGACO-CSKARUKUSA-N 401.374 3.250 10 40 HGCB COc1ccc(N2CCN(CC(=O)Nc3cccc(Br)c3)CC2)cc1 58127011 UZMDMFRFRPRPHB-UHFFFAOYSA-N 404.308 3.218 10 40 HGCB COc1cc(N2CCCCC2)c(OC)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 108240077 GVIULXJUJFEJGT-AQTBWJFISA-N 407.470 3.156 10 40 HGCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc1cccc(Cl)c1 408805120 FAYWNEACCJPCNQ-UHFFFAOYSA-N 400.818 3.067 10 40 HGCB COc1ccc2c3c(n(CC(=O)NCC(C)C)c(=O)c2c1OC)-c1ccccc1C3=O 604406132 XCASEMWZOPAOSI-UHFFFAOYSA-N 420.465 3.002 10 40 HGCB biogenic Cc1cc(C(=O)CN2C(=O)CC3(CCCC3)C2=O)c(C)n1-c1ccc2c(c1)OCCO2 8779727 ZBTCFZKRYDBOSV-UHFFFAOYSA-N 422.481 3.367 10 40 HGCB O=C1C(=CNN2CCCCC2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 5770343 PTVYUMDCMVVVCP-UHFFFAOYSA-N 406.511 3.226 10 40 HGCB Cc1cc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)ccc1N1CCCC1=O 44847787 UUJUFGQGPRETMT-UHFFFAOYSA-N 413.543 3.201 10 40 HGCB CCOc1ccccc1NC(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCOCC1 35597239 QMHLHXFZFHVFEQ-QFIPXVFZSA-N 424.545 3.273 10 40 HGCB COc1cc(Cl)cc(/C=C2/C(=O)N(c3ccc4c(c3)OCO4)C(=O)N=C2O)c1O 59104708 ILCIFFUBYWVYOP-LFYBBSHMSA-N 416.773 3.290 10 40 HGCB Cc1cccc(C(=O)Oc2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)cc2Cl)c1 41077929 QJPHZOYTZDADHK-UHFFFAOYSA-N 412.829 3.301 10 40 HGCB C[C@H]1CCCN(c2ccc(CNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)cc2)C1 225423990 AZMLCRLAVSSJSD-KRWDZBQOSA-N 415.559 3.103 10 40 HGCB CN(C)c1ccc([C@@H](CNC(=O)C2CC2)N2CCN(c3ccc(F)cc3)CC2)cc1 22665622 OHIDGIRTJFGCLX-HSZRJFAPSA-N 410.537 3.281 10 40 HGCB COc1ccc(N(CC(=O)N2CCCCC2)CC(=O)N2CCCCC2)cc1Cl 69455943 PPKYITNTYOKZGK-UHFFFAOYSA-N 407.942 3.180 10 40 HGCB Cc1cc(C(=O)NCC2(O)CCOCC2)c(C)n1-c1cccc(Br)c1 72304473 MVKCNTLFUWLSIU-UHFFFAOYSA-N 407.308 3.128 10 40 HGCB O=C(O)c1cc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)ccc1O 4357105 VGRLLQCDIPPIMD-UUASQNMZSA-N 401.421 3.225 10 40 HGCB O=C(O)c1ccc(N2C(=O)/C(=C\c3ccc4nccnc4c3)SC2=S)cc1O 13689627 PKCWSLFGSNDVKN-LZYBPNLTSA-N 409.448 3.439 10 40 HGCB CN1CCCc2cc([C@H](CNC(=O)Nc3ccc(F)cc3)N3CCOCC3)ccc21 35597180 PGNVBNCBJAKENY-QFIPXVFZSA-N 412.509 3.403 10 40 HGCB CCN(CC)c1ccc(CN2CCc3c(nc(-c4ccccn4)[nH]c3=O)C2)c(OC)c1 72336792 LVXVHNVFSORXBY-UHFFFAOYSA-N 419.529 3.245 10 40 HGCB O=C1NC(=S)NC(=O)C1=Cc1cc(Br)ccc1Cc1cccc(F)c1 408880768 HFFZWHGVZINEJO-UHFFFAOYSA-N 419.275 3.093 10 40 HGCB CC(=O)Oc1cccn2c(C(=O)C(=O)c3ccc4c(OC(C)=O)cccn34)ccc12 1583035 WDDHXISGAAKCFW-UHFFFAOYSA-N 404.378 3.108 10 40 HGCB CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)C1 222615735 NATMTAJKEOTYID-WSTZPKSXSA-N 421.607 3.162 10 40 HGCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c1OC 409243326 XPQSGQDUKPJURT-JLHYYAGUSA-N 400.818 3.332 10 40 HGCB COc1cc(/C=C2\SC(=S)N([C@@H](CC(C)C)C(=O)O)C2=O)cc(OC)c1O 5371994 JCQVTBHMRBEVMZ-KSSSLANASA-N 411.501 3.110 10 40 HGCB Cc1ccccc1C(=O)Oc1ccc2ccccc2c1C=C1C(=O)NC(=S)NC1=O 256055378 DUMBVLWZCOTZFW-UHFFFAOYSA-N 416.458 3.282 10 40 HGCB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=C1/SC(=S)N(CCC(=O)O)C1=O 409096757 DYDLBPFVFAAJLJ-GXDHUFHOSA-N 409.489 3.117 10 40 HGCB COc1ccc2[nH]cc(/C=C3/SC(=S)N(CCCN4CCOCC4)C3=O)c2c1 13725941 KPJNNZJVVODMNQ-WOJGMQOQSA-N 417.556 3.100 10 40 HGCB COc1ccc(N2CCN([C@@H](c3ccc(F)cc3)c3nnnn3C(C)(C)C)CC2)cc1 20139344 BUNGGRIKQGEZNN-NRFANRHFSA-N 424.524 3.487 10 40 HGCB CN1CCc2cc([C@H](CNC(=O)c3c(F)cccc3Cl)N3CCOCC3)ccc21 22733346 RMAZUDYIKRVJLX-FQEVSTJZSA-N 417.912 3.275 10 40 HGCB O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)Nc1ccccc1F 33412465 DUFHKZYORIQGDE-UHFFFAOYSA-N 403.365 3.397 10 40 HGCB O=C(O)CCN1C(=O)/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)SC1=S 409103196 XKDUUAPPEMFBEX-GXDHUFHOSA-N 403.441 3.061 10 40 HGCB CN1CCN(C(=O)CCCCCN2C(=O)/C(=C\c3ccccc3)SC2=S)CC1 19901659 MZTVWPWFESWGHU-FBMGVBCBSA-N 417.600 3.222 10 40 HGCB COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C[C@H]1OCCc2ccccc21 95465455 BAMJKLFJHFZPPM-LJQANCHMSA-N 403.862 3.251 10 40 HGCB COC(=O)c1cccc(-c2ccc(/C=C3\C(=O)NC(=O)N(C4CCCC4)C3=O)o2)c1C 408692870 XHELTWIWAOMGDT-LDADJPATSA-N 422.437 3.446 10 40 HGCB CCN(CC)c1ccc(CN2CCC(C(=O)NCC(C)(C)CN(C)C)CC2)cc1 12630395 DSXOTSRBWJLYMB-UHFFFAOYSA-N 402.627 3.449 10 40 HGCB O=C1N=C(O)/C(=C\NN2CCCC[C@@H]2c2cccnc2)C(=O)N1c1ccccc1F 8970967 ZYKGYMJLWTVNBJ-LCJXNMAOSA-N 409.421 3.260 10 40 HGCB CCOC(=O)c1sc(N2N=C(C)/C(=C\c3ccc(OC)c(OC)c3)C2=O)nc1C 4616517 WZNCROIUJKLAKO-NTEUORMPSA-N 415.471 3.452 10 40 HGCB O=C(CN1C(=O)S/C(=C/c2ccc(N3CCCC3)c(F)c2)C1=O)N1CCCC1 4933234 BUSAYCONPJEVAH-SFQUDFHCSA-N 403.479 3.085 10 40 HGCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cccc4ccccc34)C2=O)cc1 6579932 WSDYQXIQXKTNMP-UYRXBGFRSA-N 400.390 3.293 10 40 HGCB CCOC(=O)c1sc2nc(N3CCOCC3)c3c(c2c1N)CC(C)(C)SC3 13769511 PAVRPCAHEAZMQG-UHFFFAOYSA-N 407.561 3.460 10 40 HGCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1[N+](=O)[O-] 13569901 VAGHQCRTNFUFBR-NTUHNPAUSA-N 415.789 3.232 10 40 HGCB COc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3ccccc3O)C2=O)cc1 102004882 YSVKRYZWYMEBMB-FDFHNCONSA-N 416.433 3.452 10 40 HGCB Cc1cc(O[C@@H](C)C(=O)NCc2ccc(N3CCN(C)CC3)cc2)ccc1Cl 222859219 XYSFECMKJZHXNN-KRWDZBQOSA-N 401.938 3.484 10 40 HGCB O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1cccn1-c1ccccc1 409195494 VSCYEHAHIAMDMG-QGOAFFKASA-N 417.446 3.007 10 40 HGCB CCOC(=O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/Nc2cc(C)on2)SC1=S 618255165 QEXMYTDGLFMYGH-ADVGAGMGSA-N 417.512 3.271 10 40 HGCB CCN1C(=O)/C(=C2\SC(=S)N(NC(=O)c3ccccc3C)C2=O)c2ccccc21 1104338 HXZFYQZTLTUCOA-MSUUIHNZSA-N 423.519 3.278 10 40 HGCB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cnn(-c3ccccc3)n2)cc1 8428265 UVBOENJGEAZWSA-OAQYLSRUSA-N 405.502 3.155 10 40 HGCB O=C(O)Cc1ccc(N2C(=O)/C(=C3/C(=O)Nc4ccc(F)cc43)SC2=S)cc1 8767969 VBNIKUBYMXYLEB-NXVVXOECSA-N 414.439 3.181 10 40 HGCB O=C(NN1C(=O)/C(=C/c2ccnc3ccccc23)SC1=S)c1ccccc1O 9422436 XCFKVLIMMRIGBM-BOPFTXTBSA-N 407.476 3.487 10 40 HGCB COc1ccc(/C=C2/SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)cc1OC 20289419 XGYTYYKTOUXAKA-RCCKNPSSSA-N 423.538 3.492 10 40 HGCB CC1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1cc(C(F)(F)F)ccc1Cl 101471651 SGXNVUGBKOKTTH-LAPSENCUSA-N 421.828 3.060 10 40 HGCB O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)c(OC(=O)c2ccccc2)c(Cl)c1 408889874 KFQQYBVCLZRVGV-UHFFFAOYSA-N 421.261 3.127 10 40 HGCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc1Cl 408942312 QIKJZOJNWLNYME-NTEUORMPSA-N 414.801 3.103 10 40 HGCB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(N3CCCCC3)cc2OC)C1=O 409080820 OLCQTWUZMCCYCZ-VVBXCHJUSA-N 404.488 3.283 10 40 HGCB Cc1cc(C(=O)Cn2c(=O)sc3ccccc3c2=O)c(C)n1-c1ccc(F)cn1 1165971627 WOHWVEDJTIVNAS-UHFFFAOYSA-N 409.442 3.248 10 40 HGCB COc1ccc(N2CCN(Cn3nnn(-c4ccc(C)cc4C)c3=S)CC2)cc1 56552766 DEBUHNSWQNQQOO-UHFFFAOYSA-N 410.547 3.203 10 40 HGCB COc1ccc(N2CCN(C(=O)c3n[nH]nc3Nc3cccc(Cl)c3)CC2)cc1 67284681 FETAZDOEXQSQTQ-UHFFFAOYSA-N 412.881 3.173 10 40 HGCB CCN(CC)c1ccc(CNC(=O)[C@H](C)N(c2cccc(F)c2)S(C)(=O)=O)cc1 224635684 XYFVDSJUBZPCDV-INIZCTEOSA-N 421.538 3.143 10 40 HGCB COc1ccc(N(C)CCNC(=O)c2cccc(I)c2)cc1 224967169 JEKMWYARURVBGB-UHFFFAOYSA-N 410.255 3.166 10 40 HGCB Cc1cc(/C=C2\NC(=O)N(C)C2=O)c(C)n1-c1ccc(I)cc1 409195692 VJSGKUWOTWFBDG-DHDCSXOGSA-N 421.238 3.221 10 40 HGCB CC(=O)N1[C@@H](C)CN(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(N(C)C)cc1 4747607 FNJNPAMFNJEOMW-HRAATJIYSA-N 401.532 3.001 10 40 HGCB Cc1cccc(OCCn2cccc2/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c1 13635779 CWEAJHXLLCZARC-ZHZULCJRSA-N 419.437 3.131 10 40 HGCB C/C=C/c1cc(CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c(O)c(OC)c1 23466438 HYCRQLXHEKIIDP-SNAWJCMRSA-N 416.543 3.249 10 40 HGCB CCC(=O)Nc1ccccc1N/C=C1\C(=O)NC(=O)N(CCC2=CCCCC2)C1=O 101074818 OEAXJONGKNFQJT-JQIJEIRASA-N 410.474 3.300 10 40 HGCB O=C(O)CN1C(=O)/C(=C/c2coc3c(Cl)cc(Cl)cc3c2=O)SC1=S 2994313 NURZIGHPVNVOPX-LAFDYMOFSA-N 416.263 3.386 10 40 HGCB CC(=O)Nc1ccc(N2C(=O)/C(=C3/C(=O)N(C)c4ccccc43)SC2=S)cc1 4291576 MULBHAJUTPYSIT-MSUUIHNZSA-N 409.492 3.397 10 40 HGCB CN1C(=O)/C(=C\c2ccc(C(=O)Nc3ccc(CC(=O)O)cc3)cc2)SC1=S 5374793 QJTZZAPLFYXITI-MHWRWJLKSA-N 412.492 3.397 10 40 HGCB COc1ccccc1OCC(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCCCC1 13007835 WURABHNYIJVMHI-QFIPXVFZSA-N 423.557 3.410 10 40 HGCB Cc1cc(/C=C2/SC(=O)N(C)C2=O)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 59678673 USYAIJAFARGRCJ-OVCLIPMQSA-N 400.412 3.157 10 40 HGCB O=C(CN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2)C1=O)NCc1ccco1 409211748 KAMWZDVDLCDGGX-PDGQHHTCSA-N 411.483 3.233 10 40 HGCB CCCC[C@H](NC(=O)CCN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S)C(=O)O 5552887 UPZSMBKERLCWBF-DLEKYWELSA-N 420.556 3.346 10 40 HGCB CCOC(=O)[C@H](C)Oc1ccc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 35084764 OUVKQKOAGNBQTP-IGWPVBGESA-N 414.845 3.132 10 40 HGCB CCOC(=O)c1ccc(N2NC(=O)/C(=C\c3ccc(N(CC)CC)cc3)C2=O)cc1 59475184 NLMWWSUSCWCFIY-HMMYKYKNSA-N 407.470 3.171 10 40 HGCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(C[C@H]4CCCO4)c3C)C(=O)NC2=S)cc1 409197820 PNOASRONZPSVIM-FUNKKEAFSA-N 423.538 3.424 10 40 HGCB CCC[C@H](C(=O)O)N1C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)SC1=S 5373737 VSNWNAOMMGEYDN-RLIURORJSA-N 411.501 3.167 10 40 HGCB CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)N(CC)CCO)C2=O)cc1 4822107 UTITVWCHGILTGP-VKAVYKQESA-N 406.573 3.071 10 40 HGCB CC[C@@H]1CCCCN1C(=O)c1ccc2c(c1NCCO)C(=O)c1ccccc1C2=O 4811681 PCKSFDXMYJYWQJ-OAHLLOKOSA-N 406.482 3.271 10 40 HGCB CCN(CC)c1ccc(CNC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 223351851 HZBRWHXCLYILAW-UHFFFAOYSA-N 417.575 3.232 10 40 HGCB CCN(CC)c1ccc(N/C=C2/C(=O)NC(=S)N(C3CCCCC3)C2=O)cc1 2222539 BTNOXTXNXLYKFU-JXAWBTAJSA-N 400.548 3.405 10 40 HGCB N=C1/C(=C\c2ccc(Br)o2)C(=O)N=C2SC(c3ccc(O)cc3)=NN12 9011897 OHYDSIURKGVWFC-CICINJRRSA-N 417.244 3.415 10 40 HGCB CCc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc1 8964135 JKHJSLWWPFDGNB-QHCPKHFHSA-N 420.557 3.133 10 40 HGCB Nc1cccc(N/C=C2\C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)c1 103224878 VRTOGCSUESNVFK-ZROIWOOFSA-N 401.220 3.450 10 40 HGCB COCCCN1C(=O)S/C(=C/c2cc(OC)c(N3CCCC3)cc2OC)C1=O 409250792 YEEMOGVSPROPNQ-LDADJPATSA-N 406.504 3.377 10 40 HGCB Cc1cc(N/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c([N+](=O)[O-])cc1C 4457774 GBUNUWNJZFJVHR-ZROIWOOFSA-N 414.805 3.444 10 40 HGCB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(N4CCCC4)cc3)C2=O)c1 4688419 YZCLUBBLENNOMQ-XSFVSMFZSA-N 404.470 3.127 10 40 HGCB CN1CCCc2cc([C@@H](CNC(=O)CCc3ccccc3)N3CCOCC3)ccc21 16838306 LFJDHWPTCMAFBW-XMMPIXPASA-N 407.558 3.191 10 40 HGCB COc1ccc(NC(=O)c2c(C)oc3ccc(O)c(CN4CCN(C)CC4)c23)cc1 19794012 UOKBUZASIGPLHL-UHFFFAOYSA-N 409.486 3.455 10 40 HGCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 100535620 BDBDOGURBFGRNN-NTEUORMPSA-N 416.781 3.380 10 40 HGCB O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cccc2nonc12 26599815 MXQNBNLOLXTWLO-KPKJPENVSA-N 402.482 3.124 10 40 HGCB COC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)O)ccc3C)o2)C1=O 4599648 IGSWMBLNZJWFDL-OVCLIPMQSA-N 401.396 3.163 10 40 HGCB COC(=O)c1cccc(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)c1 223856626 HNDINTBBCGCFOK-MRXNPFEDSA-N 402.516 3.188 10 40 HGCB CCOc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1OCC 15013397 MZHGNVIMDHHLCS-KAMYIIQDSA-N 414.458 3.454 10 40 HGCB COc1cc(/C=C2\C(=O)N(c3ccccc3F)C(=S)N=C2O)cc([N+](=O)[O-])c1O 16195090 GAKQUBGNFIDAJJ-POHAHGRESA-N 417.374 3.120 10 40 HGCB CCOc1ccc([C@]2(O)CN(c3cc(OC)ccc3OC)C3=[N+]2CCCS3)cc1 17307537 HOWZFTJCBKEUNE-JOCHJYFZSA-N 415.535 3.273 10 40 HGCB NC1=Nc2nc3cc4c(cc3n2[C@@H](c2cc(Cl)cc(Cl)c2O)N1)OCCCO4 12550427 IBRYRTHFXVBQEW-INIZCTEOSA-N 420.256 3.306 10 40 HGCB COc1ccc(/C=C2/SC(N3CCN(c4ccccc4)CC3)=NC2=O)c(OC)c1 35623376 HDAIPUMNQCZRDX-XSFVSMFZSA-N 409.511 3.496 10 40 HGCB CCN(CC)c1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1 409022763 RZLJGRYKEPZNQH-XSFVSMFZSA-N 406.486 3.373 10 40 HGCB COc1ccc(OC)c(N/C=C2/C(=O)NC(=S)N(CCC3=CCCCC3)C2=O)c1 6294815 SQGHMBKKPADZJW-SSZFMOIBSA-N 415.515 3.133 10 40 HGCB Cc1ccc(N2C(=O)/C(=C/c3ccc(O)c(OCC(N)=O)c3)SC2=S)c(C)c1 9188613 DORAYMYFVRBTKE-MFOYZWKCSA-N 414.508 3.279 10 40 HGCB C[C@H](C(=O)NCCc1ccc(O)cc1)N1C(=O)/C(=C/c2ccccc2)SC1=S 6661055 XZOCAXQKQUQMMN-VVTMIQRTSA-N 412.536 3.341 10 40 HGCB Cn1cccc1/C=C1\SC(=S)N(NC(=O)c2ccc(Br)cc2)C1=O 13769102 APKAIQCYLODIEF-LCYFTJDESA-N 422.329 3.334 10 40 HGCB COc1ccccc1C(=O)NN1C(=O)/C(=C\c2nc3ccccc3[nH]2)SC1=S 27533880 GFENADIGNGAIBV-XNTDXEJSSA-N 410.480 3.118 10 40 HGCB O=C(O)CN1C(=O)/C(=C/c2ccccc2OCCOc2ccccc2)SC1=S 409328352 SUEMZGBLHUDXHQ-ATVHPVEESA-N 415.492 3.430 10 40 HGCB COC(=O)[C@H](C)N1C(=O)/C(=C/c2ccc(OC)c(Br)c2)SC1=S 1276937 GRPVHXKHPRQOTB-VQLBTBKJSA-N 416.318 3.220 10 40 HGCB C[C@@H](CN(C)C)Oc1ccc(O[C@H](C)CN(C)C)c2c1C(=O)c1ccccc1C2=O 4783348 BHJBHNPPUHUGQH-IYBDPMFKSA-N 410.514 3.120 10 40 HGCB CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C/Nc1ccc(C(=O)N2CCOCC2)cc1 5578406 WZTVEOSKGIGIOE-RCCKNPSSSA-N 418.497 3.494 10 40 HGCB O=C1/C(=C\c2ccccc2)SC(=S)N1CCC(=O)N1CCCC[C@H]1CCO 6660380 NEHWGKJYZKOKOZ-WUVIJCSQSA-N 404.557 3.041 10 40 HGCB CN1CCCc2cc(CN3CCC[C@@H]3c3ccc(C(=O)N4CCOCC4)cn3)ccc21 19708256 QWPHDLOJVSVQCU-XMMPIXPASA-N 420.557 3.274 10 40 HGCB C[C@H](Oc1ccc(Br)cc1)C(=O)NCc1ccc(N2CCOCC2)cc1 54285267 KSZLCVVZPGQXJK-HNNXBMFYSA-N 419.319 3.369 10 40 HGCB CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)C1 260507642 NATMTAJKEOTYID-NSHGMRRFSA-N 421.607 3.162 10 40 HGCB O=C1C[C@@H]2CCN(Cc3ccc(O)c(O)c3)C[C@@H]2CCOc2ccc(F)cc2N1 1534646942 XNUJAMKGYRYMJY-HOTGVXAUSA-N 400.450 3.486 10 40 HGCB COc1ccc(N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)cc1 2603294 OUNJNLMMCFYNFN-UHFFFAOYSA-N 417.350 3.030 10 40 HGCB CCc1nnc(NC(=O)CCCN2C(=O)/C(=C\c3ccco3)SC2=S)s1 5370757 XRUPFOLZLCOEFF-PKNBQFBNSA-N 408.530 3.314 10 40 HGCB CCOC(=O)c1ccc(N/C=C2\C(=O)NC(=O)N(c3ccccc3CC)C2=O)cc1 408535625 UAWVWBSVQDNXOK-GHRIWEEISA-N 407.426 3.005 10 40 HGCB Cn1c(/C=C2/SC(=S)N(c3ccc(C(=O)O)c(O)c3)C2=O)nc2ccccc21 5236001 AXVNSJPPBPLPOP-OQLLNIDSSA-N 411.464 3.383 10 40 HGCB CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3cccc(F)c3)N3CCCCC3)ccc21 13008002 PILRDTQUXIEKFN-JOCHJYFZSA-N 424.520 3.100 10 40 HGCB CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccc(Cl)c(C(F)(F)F)c1 13550012 WPEGDUGTNBSWOK-ZWIPKHHJSA-N 421.828 3.060 10 40 HGCB C[C@@H]1CN(c2ccc(CNC(=O)Cn3ccc(=O)c4ccccc43)cc2F)C[C@@H](C)O1 69419512 ONBKEIUGFXNYAQ-IAGOWNOFSA-N 423.488 3.071 10 40 HGCB Cc1ccc(-n2nc(C)c(/C=C3/C(=O)NC(=O)N(c4ccccc4)C3=O)c2C)cc1 408757886 ROYNXJQSMUROGX-MOSHPQCFSA-N 400.438 3.464 10 40 HGCB CN1C(=O)/C(=C/c2cn(CC(=O)NC[C@@H]3CCCO3)c3ccccc23)c2ccccc21 4516948 BVMAPZJRQOBJPZ-LANLRWRYSA-N 415.493 3.454 10 40 HGCB S=C(NNc1nc(N2CCCC2)nc(N2CCCC2)n1)Nc1ccc(Cl)cc1 10213446 LBIQAULXVSRSCW-UHFFFAOYSA-N 418.958 3.039 10 40 HGCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCCSCc1nc[nH]c1C 17089912 DEOMCXYIJGGLOL-AQTBWJFISA-N 414.491 3.146 10 40 HGCB Cc1cc(N2CCOCC2)ccc1CN1CCC(O)(Cn2ccnc2C(C)C)CC1 19570632 PUGYYLLIUQNPPS-UHFFFAOYSA-N 412.578 3.179 10 40 HGCB O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C\C(Cl)=C\c2ccccc2)SC1=S 102828494 BNCGAKWUQJEJFG-DGAMGFBJSA-N 411.888 3.329 10 40 HGCB O=C1NC(=O)N(CCc2ccccc2)C(=O)/C1=C/C1C[C@H]2CCCN3CCC[C@H](C1)C23 4619357 NBLCIDCCOFANIS-BMTASXEKSA-N 421.541 3.135 10 40 HGCB CC(=C\c1ccccc1)/C=C1/SC(=S)N(CC(=O)NC2=NCCS2)C1=O 27530482 SGOUUBUNXMLSHK-USTLKGCXSA-N 403.554 3.053 10 40 HGCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3)C2=O)cc1OC 409136346 TZHBMTYKYAEXBF-LDADJPATSA-N 424.453 3.155 10 40 HGCB COc1ccc(OC)c(/C=C2/SC(=S)N(NC(=O)c3ccc(F)cc3)C2=O)c1 1755259 SOTMRFNECNJNLR-MHWRWJLKSA-N 418.471 3.389 10 40 HGCB COc1ccc(/C=C2\SC(=S)N(CC(=O)N3CCCCCC3)C2=O)cc1OC 4263409 WBNWSZQUFJQDIA-ATVHPVEESA-N 420.556 3.308 10 40 HGCB CCCC[C@H](CC)COCCCN/C=C1/C(=O)NC(=O)N(c2ccccc2)C1=O 6657004 HMOONHOADOQKQX-STZPCZCHSA-N 401.507 3.366 10 40 HGCB COc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)nn2C)cc1 19716146 GIXYMERMSAEDOY-KRWDZBQOSA-N 420.513 3.423 10 40 HGCB COc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3O)[C@@H]2C1=O 100884946 ZGNWMGQGNCLURU-FKBYEOEOSA-N 416.433 3.452 10 40 HGCB COc1cc(Br)c(/C=C2\C(=O)NN(c3ccc(C)cc3)C2=O)cc1OC 1193288 JHQHDIOGOXFTEM-RIYZIHGNSA-N 417.259 3.236 10 40 HGCB CC[C@@H](C(=O)NCc1ccc(N(CC)CC)cc1)N(c1ccccc1)S(C)(=O)=O 222595680 ZWPVQNVWARXSHN-NRFANRHFSA-N 417.575 3.394 10 40 HGCB CCN(CCO)C(=O)CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S 5790766 FGMHVPXUCIBDTD-NTCAYCPXSA-N 412.964 3.162 10 40 HGCB CCN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccccc3)cc2)C(C(=O)OC)=C1C 408866145 GRPLTVUTDOANEC-ZHZULCJRSA-N 420.465 3.397 10 40 HGCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)N(C)C1=S 409147727 NLRZIPIFTTYSOG-QNGOZBTKSA-N 424.570 3.350 10 40 HGCB CCC[C@@H](NC(=O)CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)C(=O)O 5374981 GEEPSYLCSXHXHC-IRCDBNSBSA-N 418.540 3.204 10 40 HGCB O=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)c1ccc(O)c(O)c1 9010853 SYFCZJSYCQDQHD-UHFFFAOYSA-N 408.435 3.424 10 40 HGCB COc1ccc(N2CCN(C3=NC(=O)/C(=C/c4ccc5c(c4)OCO5)S3)CC2)cc1 9188213 WWSMFUBYVXPGMT-MOSHPQCFSA-N 423.494 3.216 10 40 HGCB C[C@H]1CN(c2ccc(CNC(=O)c3ccc(C(N)=S)cc3)cc2F)C[C@H](C)O1 58998764 FQCLTEYFLKULCT-KBPBESRZSA-N 401.507 3.004 10 40 HGCB COc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(C(=O)O)cc2)C1=O 408940712 OPWPROLKZSMMCN-LDADJPATSA-N 416.389 3.213 10 40 HGCB CN(C)c1ccc([C@@H]2Nc3ccccc3C(=O)N2NS(=O)(=O)c2ccccc2)cc1 3641459 UHPBKQBWHFEVND-OAQYLSRUSA-N 422.510 3.213 10 40 HGCB Cc1c(Cc2ccccc2)c(=O)oc2c(CNCCCN3CCOCC3)c(O)ccc12 6759063 IVMIUZDRESZRFB-UHFFFAOYSA-N 422.525 3.210 10 40 HGCB Cc1c(N2C(=O)/C(=C/c3cccnc3)SC2=S)c(=O)n(-c2ccccc2)n1C 96401686 AODMTSXRUNLMKY-WJDWOHSUSA-N 408.508 3.285 10 40 HGCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(Br)ccc2O)C1=O 408888337 ZGYRAGQZKGYLHG-UKTHLTGXSA-N 401.216 3.130 10 40 HGCB CCN(CC)c1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1 409203114 WEKSNJPYCMQTMX-CPNJWEJPSA-N 410.449 3.203 10 40 HGCB COc1nccnc1NS(=O)(=O)c1ccc(NCc2cc(Cl)ccc2O)cc1 6088720 FAQMQTALWQLPRE-UHFFFAOYSA-N 420.878 3.257 10 40 HGCB Cc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(N3CCCC3)c(F)c2)C1=O 9264350 JZUMEDXOPZUMDB-CPNJWEJPSA-N 422.460 3.266 10 40 HGCB Cc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2ccc(N3CCCC3)cc2)C1=O 4688443 XISXECGJUXYLRI-ZHZULCJRSA-N 404.470 3.127 10 40 HGCB Cc1ccc(N2NC(=O)/C(=C/c3ccccc3I)C2=O)cc1C 1505840583 WLCNSNOXISSHJT-GDNBJRDFSA-N 418.234 3.369 10 40 HGCB NC(=O)COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 223301024 LEXFMTNUTWQDGC-UHFFFAOYSA-N 423.903 3.128 10 40 HGCB O=C1[C@@H]([C@H]2SC(=S)N(Cc3ccco3)C2=O)SC(=S)N1Cc1ccco1 585152499 QXRAZYKTAUNOKO-VXGBXAGGSA-N 424.550 3.031 10 40 HGCB CN(C)c1ccc([C@@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)N2CCOCC2)cc1 21042677 SRBOTXSOJWHJDS-HPIWNNMISA-N 411.590 3.459 10 40 HGCB COC(=O)c1c(NC(=O)C[C@@H]2Nc3ccccc3NC2=O)sc2c1CC[C@H](C)C2 646212 FQDDXDFQANSHAW-NHYWBVRUSA-N 413.499 3.421 10 40 HGCB COc1ccc(N2CCN([C@@H]3CC(=O)N(c4ccc(Cl)c(C)c4)C3=O)CC2)cc1 20190306 RPDYEDCJIIRYAX-HXUWFJFHSA-N 413.905 3.111 10 40 HGCB CN1C(=O)C(=Cc2ccc(Oc3cccc(C(F)(F)F)c3)nc2)C(=O)N(C)C1=O 4053907 DMYVYRYMZNRSFG-UHFFFAOYSA-N 405.332 3.327 10 40 HGCB O=S(=O)(O)c1cc(O)c2c(O)c(/N=N\c3ccccc3)c(S(=O)(=O)O)cc2c1 11592914 IJDLCOIGFNUHAQ-ZCXUNETKSA-N 424.412 3.160 10 40 HGCB COc1ccc(N2CCN(C(=O)C3(c4ccc(OC)cc4)CCOCC3)CC2)cc1 16985542 XLUMNABVPDNNQQ-UHFFFAOYSA-N 410.514 3.101 10 40 HGCB CCOc1ccc(N2C[C@](O)(c3cccc([N+](=O)[O-])c3)[N+]3=C2SCCC3)cc1 2965985 FCBOKRGGWKMASQ-FQEVSTJZSA-N 400.480 3.164 10 40 HGCB N=C1/C(=C/c2cccc3ccccc23)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12 5046751 NSHHNYHELNCKKO-ZTPJVXOPSA-N 417.494 3.471 10 40 HGCB CC(C)CNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(C(C)C)C1=O 13714116 QVBSFZCUHTZDCN-ZROIWOOFSA-N 402.545 3.372 10 40 HGCB Cc1cccc(NC(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)c1 35597255 SCYOKZWIQDDPEZ-QHCPKHFHSA-N 407.562 3.098 10 40 HGCB COc1cc(Cl)c(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1OC 409239076 GETXYQSIPHHSHJ-MDWZMJQESA-N 416.886 3.497 10 40 HGCB Cc1ccc(-c2ncc(C(=O)NCc3ccc(N4CCNC(=O)C4)cc3)s2)c(C)c1 65589553 RFNKGEPYEZQBTO-UHFFFAOYSA-N 420.538 3.293 10 40 HGCB CNS(=O)(=O)c1ccc(F)c(C(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)c1 19659642 UJDBBAFGDJQIRL-OAHLLOKOSA-N 419.522 3.215 10 40 HGCB CN(C)c1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1 4748935 HWSGTAWEMRUFEX-XSFVSMFZSA-N 418.428 3.349 10 40 HGCB Cc1cccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(Cl)c([N+](=O)[O-])c3)C2=O)c1 6302555 URMOHGOARNUVOR-LCYFTJDESA-N 400.778 3.135 10 40 HGCB COc1ccc(N2CCN(CC(=O)N3CCC(Cc4ccccc4)CC3)CC2)cc1 57362860 IENTUVBIFDFEGO-UHFFFAOYSA-N 407.558 3.299 10 40 HGCB Cc1ccc2nc(Sc3ccc(C=C4C(=O)N(C)C(=S)N(C)C4=O)o3)[nH]c2c1 59140086 QJTXARLIPUFNLP-UHFFFAOYSA-N 412.496 3.214 10 40 HGCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccccn4)c3C)C2=O)cc1 409230998 HMHLKRRQKXXNJK-CPNJWEJPSA-N 416.437 3.164 10 40 HGCB CCc1ccccc1Nc1nc(N)nc(CN2CCN(c3ccc(OC)cc3)CC2)n1 6831048 QSUWVTBBMAXQMG-UHFFFAOYSA-N 419.533 3.091 10 40 HGCB COc1ccc(N2CCN(C(=O)CN3CCc4sccc4[C@@H]3C3CC3)CC2)cc1 7255663 NIBJLSSYJOVUCL-QHCPKHFHSA-N 411.571 3.415 10 40 HGCB CCN(CC)CCC[C@H](C)NC(=O)c1ccc2c(c1O)C(=O)c1ccccc1C2=O 5648307 SDOGGPXXQRCOGV-HNNXBMFYSA-N 408.498 3.408 10 40 HGCB COc1cc(/C=C2\SC(=S)N(c3ccc(C(=O)O)c(O)c3)C2=O)ccc1O 4356735 RMGSVUSWSIMZLH-CHHVJCJISA-N 403.437 3.210 10 40 HGCB Cc1cc(N2CCCC2)c(F)cc1/C=C1/SC(=O)N(CC(=O)N2CCCC2)C1=O 6792599 XRSPTMSQVYPBOQ-LDADJPATSA-N 417.506 3.393 10 40 HGCB CCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(CC(C)C)C1=O 1857487 VRBPTGIUDTUXKM-GXDHUFHOSA-N 402.545 3.374 10 40 HGCB COc1ccc(N2CCN(S(=O)(=O)c3ccc4cc(OC)ccc4c3)CC2)cc1 224571305 GIJUQQMODKMKSC-UHFFFAOYSA-N 412.511 3.368 10 40 HGCB COc1ccc(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)cc1Br 24093442 AOMUUHIYUKYOHW-UHFFFAOYSA-N 413.337 3.344 10 40 HGCB CCN(CC)c1ccc(CN(C(=O)c2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 27663978 LYNLNDLLHYSEIA-OAQYLSRUSA-N 400.544 3.362 10 40 HGCB CCC[C@@H](c1nnnn1Cc1cccs1)N1CCN(c2ccc(OC)cc2)CC1 57671519 STWVACAKWMMBGP-FQEVSTJZSA-N 412.563 3.455 10 40 HGCB CCN(CC)c1ccc(CNC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 225576406 JYQGNQUNYXPZPR-UHFFFAOYSA-N 417.575 3.232 10 40 HGCB Cc1cc(/C=C2\SC(=O)N(CC(=O)O)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 409127771 RJZMYWOBGSYSOF-NVNXTCNLSA-N 401.400 3.123 10 40 HGCB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)c1ccc2c(c1NCCO)C(=O)c1ccccc1C2=O 102684732 ZBMXUUQVKKVKFH-QEEYODRMSA-N 420.509 3.421 10 40 HGCB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc(=O)[nH]c3ccccc23)cc1 8425092 HVAYLAQPRXOBDQ-IBGZPJMESA-N 405.498 3.416 10 40 HGCB COc1ccc(N2CCN(C(=O)CN(C)CCOc3ccc(Cl)cc3)CC2)cc1 5688261 LDCGEVODKGIZIE-UHFFFAOYSA-N 417.937 3.008 10 40 HGCB CN(C)c1ccc(/C=C2\C(=O)NC(=O)N(CCC3=CCCCC3)C2=O)cc1[N+](=O)[O-] 5586485 JCBUOWLPXDLRTC-FOWTUZBSSA-N 412.446 3.013 10 40 HGCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)N(C)C)cc1 100257871 WSSZSFBJFPMOGL-LDADJPATSA-N 418.906 3.309 10 40 HGCB COc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)n(C)c(=O)n4C)SC2=S)cc1 33682859 PQQZKGWYUKBQGU-BOPFTXTBSA-N 411.508 3.291 10 40 HGCB CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)cc1 223698860 BDQPRLWQBUQWNM-MRXNPFEDSA-N 401.532 3.360 10 40 HGCB C[C@@H](C(=O)N1CCCC[C@H]1CCO)N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 6660457 DAEYOFNJLRVTLV-GIRDLMQZSA-N 422.547 3.179 10 40 HGCB CN1CCc2cc([C@H](CNC(=O)c3cc4ccccc4oc3=O)N3CCCC3)ccc21 8963314 HLFXULCZPRYFLS-QFIPXVFZSA-N 417.509 3.352 10 40 HGCB CN(C)c1ccc(CNC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1 15134919 LQGNTUCKBMMQLV-UHFFFAOYSA-N 409.511 3.483 10 40 HGCB Cc1ccc(N2NC(=O)/C(=C/c3cccc(I)c3)C2=O)cc1C 32109792 DQNAHIBJSXSZRU-YBEGLDIGSA-N 418.234 3.369 10 40 HGCB COC(=O)c1[nH]c2ccccc2c1/C=C1\SC(=S)N([C@H](C(=O)O)C(C)C)C1=O 102728076 XOKDJJLUVGFNIQ-ODDCISTRSA-N 418.496 3.265 10 40 HGCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OC(=O)CC 408538269 ZTYXHMAGTAYLIE-ATVHPVEESA-N 422.437 3.376 10 40 HGCB COc1ccc(-c2ncc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c(C)n2)cc1 223145101 UCQTWHFNNXKRKQ-UHFFFAOYSA-N 418.497 3.432 10 40 HGCB CS(=O)(=O)c1cnc(-c2cccnc2)nc1C1CCN(Cc2ccccc2O)CC1 12133108 UACVAYRXVZUVLM-UHFFFAOYSA-N 424.526 3.027 10 40 HGCB Cc1ccc(OCC(=O)NN2C(=O)/C(=C/c3ccccc3O)SC2=S)cc1 6213285 QYCJAHJXPHMSMS-YBEGLDIGSA-N 400.481 3.012 10 40 HGCB O=C(NN1C(=O)/C(=C/c2ccc3c(c2)OCCO3)SC1=S)c1ccc(F)cc1 54360633 FTMOGZRWVGYDSN-YBEGLDIGSA-N 416.455 3.143 10 40 HGCB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)Cc2ccc3c(c2)OCCO3)cc1 8428290 XPFKVRQGFULKCP-NRFANRHFSA-N 410.514 3.274 10 40 HGCB COc1cccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccncc4)C3=O)c2C)c1 409392854 NZTJALPHSBLCFZ-NDENLUEZSA-N 416.437 3.164 10 40 HGCB CN1CCCc2cc([C@@H](CNS(=O)(=O)c3ccc(Cl)cc3)N(C)C)ccc21 8798828 HFLGLGLPZJFRFN-HXUWFJFHSA-N 407.967 3.304 10 40 HGCB Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCC2)c1C 8964161 JLEWJOUPNZCRQS-QHCPKHFHSA-N 420.557 3.188 10 40 HGCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Cl)c(O)c(Cl)c1 408855571 OEXOVHZJEGIXDN-XCVCLJGOSA-N 421.192 3.094 10 40 HGCB CCCNC(=O)NC(=O)COC(=O)c1cc(C)n(-c2cc(Cl)ccc2OC)c1C 3302210 XUTRWECWGGUOQB-UHFFFAOYSA-N 421.881 3.149 10 40 HGCB CC(=O)[C@H](/N=N/c1ccc(S(N)(=O)=O)cc1)C(=O)Nc1cccc2ccccc12 104123704 IEADFHIYHFNJGI-SMIQVMJNSA-N 410.455 3.167 10 40 HGCB COc1ccc2nc(/C=C3\SC(=S)N(NC(=O)c4cccnc4)C3=O)ccc2c1 13690479 PWCHTWCBCMGJGG-YVLHZVERSA-N 422.491 3.185 10 40 HGCB COc1ccc2nc(N/C=C3/C(=O)NC(=O)N(c4cccc(C)c4)C3=O)sc2c1 6090321 BJQRMTBZJPUWQN-UVTDQMKNSA-N 408.439 3.192 10 40 HGCB COc1ccc(N2CCN(C(=O)Cn3ccc(=O)c4cc(Cl)ccc43)CC2)cc1 225724554 ZNUZKQTUGRGMTD-UHFFFAOYSA-N 411.889 3.012 10 40 HGCB COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ccc(OC)cc1 17093836 KVBVHPPPGLTKRR-MOSHPQCFSA-N 424.413 3.255 10 40 HGCB Cc1ccc(C)c(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N(C)C)c1 8798898 JWBJGXBOZUVTOP-OAQYLSRUSA-N 401.576 3.267 10 40 HGCB COc1ccc(/C=C/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)cc1 409094408 FBAZAJGRDREHAD-MYTPONEHSA-N 424.478 3.100 10 40 HGCB CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccccc3O)C(C(=O)OC)=C2C)cc1 409022403 NFFLKSNGWZRIKK-AQTBWJFISA-N 407.422 3.446 10 40 HGCB Cc1cccc(N2C(=O)NC(=O)/C(=C/NNc3cc(Cl)ccc3Cl)C2=O)c1 5548073 PKLWKJOVZSNQRB-LCYFTJDESA-N 405.241 3.385 10 40 HGCB CCOc1ccc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1Cl 408596356 SEAOFNOVVUCYFF-UHFFFAOYSA-N 410.923 3.258 10 40 HGCB O=C(COC(=O)[C@H]1C[C@H]2C=C[C@H]1C2)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 102254785 QDIPBXKMKDCUFS-NJSLBKSFSA-N 401.418 3.156 10 40 HGCB O=C1N=C(O)/C(=C/NC2CCN(Cc3ccccc3)CC2)C(=O)N1C1CCCCC1 103229340 ZSCFDRYDSXEGPD-HKWRFOASSA-N 410.518 3.376 10 40 HGCB COc1cc(/C=C2/SC(=S)N(NC(=O)NC3CCCCC3)C2=O)ccc1O 9234578 RDVUCHILUINGEP-XNTDXEJSSA-N 407.517 3.149 10 40 HGCB CCc1ccccc1NC1=NC(=O)/C(=C2/C(=O)N(CC(=O)O)c3ccccc32)S1 20227090 NCIBXGLZIVIYRX-ZCXUNETKSA-N 407.451 3.133 10 40 HGCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC)c(OC)c3)C2=O)cc1 1086705 FUWSPCLIIIEHQE-ATVHPVEESA-N 410.426 3.159 10 40 HGCB COc1ccc(OC)c(/C=C2/SC(N3CCN(c4ccccc4)CC3)=NC2=O)c1 20289364 YILRNWQTSIDGHX-HMMYKYKNSA-N 409.511 3.496 10 40 HGCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(O)c(Br)c1 9311329 KJCLYBBKYDVCBI-GHXNOFRVSA-N 421.634 3.475 10 40 HGCB CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)NCc3ccco3)C2=O)cc1 409201307 LJWHMLHPFYVDAP-PDGQHHTCSA-N 413.499 3.479 10 40 HGCB CC1=NC(=S)N(NCC(=O)c2ccccc2)C(=O)[C@H]1N=Nc1ccc([N+](=O)[O-])cc1 245241034 WMZJSOSCXVJAQE-KRWDZBQOSA-N 424.442 3.023 10 40 HGCB COc1ccc(-n2nnnc2CNC(=O)C2c3ccccc3Oc3ccccc32)cc1 9570412 HOBLIXKGMLYHJB-UHFFFAOYSA-N 413.437 3.225 10 40 HGCB COc1ccc2c(c1)C=C[C@@H]1[C@H]3C(=O)N(c4c(C)cccc4C)C(=O)[C@H]3[C@@H](C(C)=O)N21 8992224 UTQZZTKVCRFKPY-YYTDSSBASA-N 416.477 3.291 10 40 HGCB COc1cc(Cl)c(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1OC 9259399 CCJDQMBISQQCMV-QPEQYQDCSA-N 420.849 3.328 10 40 HGCB CCCCCN1C(=O)/C(=C2\SC(=S)N(CC(=O)OCC)C2=O)c2ccccc21 27563163 SUDJHHWHZJUVHF-MSUUIHNZSA-N 418.540 3.358 10 40 HGCB CN(C)c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)o1 408854305 CDBWITZABPAPLB-CSKARUKUSA-N 410.282 3.484 10 40 HGCB CC1=C(C(=O)Nc2ccc(F)c(F)c2)[C@H](c2ccc(N(C)C)cc2)NC(=S)N1 5500298 UTLPBBVSVSBQGB-SFHVURJKSA-N 402.470 3.462 10 40 HGCB COc1ccc(S[C@@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2)cc1OC 216298675 WTCOGVWVSXSZRB-INIZCTEOSA-N 416.543 3.337 10 40 HGCB O=C1N/C(=C\c2ccc(N3CCOCC3)c(F)c2)C(=O)N1Cc1ccccc1Cl 409127766 JUQKXBAUPLGZKI-PDGQHHTCSA-N 415.852 3.409 10 40 HGCB CN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 18150462 NJTYPMXOLBZLPN-UHFFFAOYSA-N 415.559 3.199 10 40 HGCB O=C(NN1C(=O)/C(=C\c2coc3ccccc3c2=O)SC1=S)c1cccs1 13945830 GXWLIEAGSVUCJG-RIYZIHGNSA-N 414.489 3.401 10 40 HGCB Cc1ccc(N(Cc2ccccc2)C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)cc1 7973974 NFGNZTMGUOUTKU-UHFFFAOYSA-N 407.495 3.026 10 40 HGCB COc1ccc(Cl)cc1-n1c(C)cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c1C 408994873 HLHJDBZMMQVTKL-UHFFFAOYSA-N 401.850 3.190 10 40 HGCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OC(=O)c1ccco1 409410000 SJVSKRYSNHZJOU-LGMDPLHJSA-N 418.405 3.359 10 40 HGCB COc1ccc(N2CCN(CCNC(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 56997174 KWOMVHOXBXIODN-UHFFFAOYSA-N 407.436 3.266 10 40 HGCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(O)c(OCC)c3)C2=O)cc1 408898311 KUNIIOOSYLJDHQ-ATVHPVEESA-N 410.426 3.246 10 40 HGCB CCN(CC)c1ccc(N/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1 5041016 QFQGLXWXXXFPAQ-DTQAZKPQSA-N 412.490 3.416 10 40 HGCB COc1ccc(N2CCN([C@H](c3ccccc3OC)c3nnnn3C(C)C)CC2)cc1 19454683 RVDKIBOECZXVJZ-JOCHJYFZSA-N 422.533 3.183 10 40 HGCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccccc3OC)C2=O)cc1OC 409146802 KVXARFBDPRRGHD-GHRIWEEISA-N 424.453 3.155 10 40 HGCB O=C(O)COc1ccccc1/C=C1\SC(=S)N(c2ccc(C(=O)O)cc2)C1=O 12625416 BDJDIGRUOXWYDW-DHDCSXOGSA-N 415.448 3.254 10 40 HGCB CN1CCCc2cc([C@H](CNC(=O)c3c(F)cccc3F)N3CCOCC3)ccc21 13008271 NJSNMPYDAHEBLL-NRFANRHFSA-N 415.484 3.151 10 40 HGCB O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(Br)s1 979802 QHXRFLHPZVEVOO-YRNVUSSQSA-N 411.277 3.481 10 40 HGCB COc1ccc(N2CCN(c3nc(C)c(Cc4ccccc4C)c(=O)[nH]3)CC2)cc1 7496499 GAAVUJFVDNMOEI-UHFFFAOYSA-N 404.514 3.313 10 40 HGCB COc1ccccc1OCC(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCCCC1 13007834 WURABHNYIJVMHI-JOCHJYFZSA-N 423.557 3.410 10 40 HGCB O=C(CCc1ncc(-c2ccc(F)cc2F)o1)NCc1cc([N+](=O)[O-])ccc1O 14404004 ZRDZZFBVRWODOP-UHFFFAOYSA-N 403.341 3.483 10 40 HGCB CN1C(=O)/C(=C\c2ccc(C(=O)Nc3ccc(O)c(C(=O)O)c3)cc2)SC1=S 9216120 IWAOXWKLBARIJM-OVCLIPMQSA-N 414.464 3.174 10 40 HGCB CCOC(=O)c1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(OC)c(OC)c3)C2=O)cc1 17028222 QYEYNONOEONNJO-WJDWOHSUSA-N 424.409 3.387 10 40 HGCB COC(=O)c1cccc(S(=O)(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1 24362445 WDMWBVABHXHZJS-UHFFFAOYSA-N 402.516 3.284 10 40 HGCB COc1ccc(N2CCN(CC(=O)Nc3ccccc3OCC(F)(F)F)CC2)cc1 25051351 GZFLNSKYBLONJX-UHFFFAOYSA-N 423.435 3.397 10 40 HGCB O=C1/C(=C\c2ccc(C(F)(F)F)cc2)SC(=S)N1CCN1CCOCC1 96930787 PYLUKJYRMOEKOE-SDNWHVSQSA-N 402.463 3.239 10 40 HGCB CCOc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3ccc(Cl)cc3)C1=O)OCO2 408965699 XFYRPFWEQIEASI-VGOFMYFVSA-N 414.801 3.134 10 40 HGCB O=C(CN1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2F)C1=O)N1CCCC1 6815592 FIKUTYPCPVVMIM-GZTJUZNOSA-N 403.479 3.085 10 40 HGCB COc1ccc(/C=C2\SC(=S)N(NC(=O)c3cccc([N+](=O)[O-])c3)C2=O)cc1 13739405 BOGOKEIYOCUUOF-DHDCSXOGSA-N 415.452 3.150 10 40 HGCB CCN(CC)c1ccc(CNC(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 224499008 BSBRGUCWWDBBDU-SFHVURJKSA-N 417.575 3.312 10 40 HGCB COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)NC[C@@H]2CCCO2)cc1 4736940 DCIGWWCMBOVBQA-YVUGPFRESA-N 421.497 3.497 10 40 HGCB CCOc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(N4CCOCC4)cc3)C2=O)cc1 5873076 LYNIBUDRVBPMKG-HMMYKYKNSA-N 421.453 3.429 10 40 HGCB CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 7229110 QARYBIVVHDDTQK-UHFFFAOYSA-N 417.531 3.205 10 40 HGCB NC(=O)[C@H]1CN(C(=O)/C=C/c2ccc(N3CCCCCC3)cc2)c2ccccc2O1 12557764 QYMDHKMFZCEOEU-YDYPUGOESA-N 405.498 3.360 10 40 HGCB CCN1CCc2cc(CN3CCC[C@H](c4nc(C)c5c(n4)N(C)C(=O)CC5)C3)ccc21 72371131 LSKXMRUCDYVQRV-FQEVSTJZSA-N 419.573 3.456 10 40 HGCB C[C@H]1CN(C(=O)CN(Cc2cccs2)c2ccc3c(c2)OCCO3)C[C@H](C)O1 96982678 RHAWXTFDJHSTQS-HOTGVXAUSA-N 402.516 3.162 10 40 HGCB COc1cc(C)c(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc1OC 408547980 BHLVRNIIUACBAQ-LICLKQGHSA-N 410.495 3.460 10 40 HGCB CC1CCN(c2nc3c(c(=O)[nH]2)CCN(Cc2ccc(N4CCCC4)cc2)C3)CC1 12117821 DALUSHZCTPFKMV-UHFFFAOYSA-N 407.562 3.165 10 40 HGCB Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(N4CCCC4)cc3)C2=O)cc1 4702417 OIGATPDKWXUPCD-ZHZULCJRSA-N 404.470 3.127 10 40 HGCB CN1CCCc2cc([C@H](CNS(=O)(=O)c3cccs3)N3CCCC3)ccc21 8799002 SCDGTQCCSRATMP-IBGZPJMESA-N 405.589 3.246 10 40 HGCB CSCC[C@H](C(=O)O)N1C(=O)/C(=C/c2cnc3ccccc3n2)SC1=S 54361175 PAHZPTWFCQKEJA-HRYODUOUSA-N 405.526 3.037 10 40 HGCB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 224687981 PKVWOVJMGPXVMK-IBGZPJMESA-N 407.558 3.401 10 40 HGCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OC 408802831 HZQOXSFAHNQOIH-NTEUORMPSA-N 400.818 3.414 10 40 HGCB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(/N=N\c4ccccc4)cc3)C(=O)[C@H]12 409278417 DYHWWVNHNDKJDG-ALPVZTJISA-N 417.421 3.478 10 40 HGCB Cc1ccc(-n2c(C)cc(C(=O)COC(=O)CNC(=O)c3ccco3)c2C)cc1C 5884450 JFMRRVFYRYKEEN-UHFFFAOYSA-N 408.454 3.460 10 40 HGCB CCOc1cc2c(cc1/C=C1\SC(=S)N(CCCC(=O)O)C1=O)O[C@@H](C)C2 6510224 DKTMGPNXCJKWOX-OKHBPPCESA-N 407.513 3.475 10 40 HGCB Cc1cc(C(=O)NCc2ccccc2S(=O)(=O)N(C)C)c(C)n1-c1ccccc1 22600826 JDZFQIUVMVCOLG-UHFFFAOYSA-N 411.527 3.274 10 40 HGCB CC(=O)Nc1ccc(/N=[N+](\[O-])c2ccc(NC(C)=O)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 25692653 AYVVFLUUGGCFEC-VXPUYCOJSA-N 402.323 3.346 10 40 HGCB COc1cccc(/C=C2\SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)c1OC 27572074 YAJOZPWDKPEONH-HKWRFOASSA-N 423.538 3.492 10 40 HGCB COc1ccc(N2CCN(CC(=O)Nc3nc4ccc(OC)cc4s3)CC2)cc1 36007093 IIACZIQKQQVVMA-UHFFFAOYSA-N 412.515 3.074 10 40 HGCB COC(=O)COc1ccccc1/C=C1/C(=O)N(c2ccccc2F)C(=S)N=C1O 59136436 MEBJZBBDPXUABX-JLHYYAGUSA-N 414.414 3.049 10 40 HGCB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3nnc(C)s3)C2=O)cc1 8765600 VQQGXMUZDYIANM-JYRVWZFOSA-N 420.541 3.085 10 40 HGCB O=C(NN1C(=O)/C(=C/c2ccccn2)SC1=S)c1ccccc1Br 8820724 AVTCQMAYPFNJDE-LCYFTJDESA-N 420.313 3.390 10 40 HGCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 40009855 LGIKBASXIBUVQB-IBGZPJMESA-N 417.550 3.129 10 40 HGCB COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc1cccc2ccccc12 59426457 RPJYSAQFGHUVGG-UHFFFAOYSA-N 402.406 3.177 10 40 HGCB CC(=O)NC1=NC(=O)/C(=C\c2cc(Br)cc(Br)c2O)S1 409092550 WYUPIQJTGCXCSG-YCRREMRBSA-N 420.082 3.024 10 40 HGCB O=S(=O)(NC12CC3CC(CC(C3)C1)C2)c1ccc(/N=N/N2CCOCC2)cc1 4795529 WCCCLEVGEFYOHM-XTQSDGFTSA-N 404.536 3.265 10 40 HGCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1OC 409203875 ZMNHXKQTWCQWAR-QGOAFFKASA-N 423.469 3.216 10 40 HGCB Cc1cc(OCC(=O)NCc2ccc(N3CCOCC3)cc2)ccc1Br 218826471 WLJYPNMZVQBVKB-UHFFFAOYSA-N 419.319 3.289 10 40 HGCB CCc1nccn1CC1(O)CCN(Cc2ccc(O)c(CN3CCCCC3)c2)CC1 19523622 FQJXLTZPJYTBAS-UHFFFAOYSA-N 412.578 3.164 10 40 HGCB CC(=O)N1CCN(c2ccc(OCC(=O)Nc3ccc(F)cc3Cl)cc2)CC1 32956462 CPVLCZDCTXWAGO-UHFFFAOYSA-N 405.857 3.165 10 40 HGCB Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1Cl 4330486 ATSVVVQEMAXPGA-LJQANCHMSA-N 402.926 3.072 10 40 HGCB CCN(CC)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(C)C3=O)c2C)cc1 658555 GGWKNYWPPNRJGA-CPNJWEJPSA-N 410.543 3.197 10 40 HGCB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NCc1cccnc1 9060319 VGUFHDXANJLKLQ-CPNJWEJPSA-N 421.482 3.021 10 40 HGCB Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1ccc(Cl)c([N+](=O)[O-])c1 59109606 SDTJECSOGPHUNP-UHFFFAOYSA-N 416.821 3.090 10 40 HGCB CCS(=O)(=O)N1CCC(C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)CC1 222623018 PFAOGWVWRHFISK-MSOLQXFVSA-N 421.607 3.162 10 40 HGCB CCOc1cc(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1 408871128 YFUIOHPYADYVPA-LZYBPNLTSA-N 415.789 3.313 10 40 HGCB Cc1ccc(COc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2Cl)cc1C 408872419 MYGGXCYDDLWBIP-UHFFFAOYSA-N 400.887 3.450 10 40 HGCB O=S(=O)(c1ccc(NCc2ccc(N3CCOCC3)c(F)c2)cc1)C(F)F 52457071 XPWTYDVRDKHJEI-UHFFFAOYSA-N 400.422 3.271 10 40 HGCB N=C1/C(=C/c2cc(Cl)c(O)c(Cl)c2)C(=O)N=C2SC(N3CCCC3)=NN12 41085015 DHNAPKMJRLFRCI-GGAYRPEOSA-N 410.286 3.371 10 40 HGCB COc1ccc(C(=O)Oc2ccc(/C=C3\C(=O)NC(=S)N=C3O)cc2Cl)cc1 2795203 UZPOUQQCCHOPNO-UHFFFAOYSA-N 416.842 3.322 10 40 HGCB O=C1/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC(=S)N1N1CCOCC1 12414286 GBAKLMHTDWXNQG-LFIBNONCSA-N 417.468 3.303 10 40 HGCB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=C1/C(=O)N(c2ccccc2F)C(=S)N=C1O 16956348 USWMDMFBKOEGGC-XDPMZMSMSA-N 422.441 3.379 10 40 HGCB COC(=O)c1ccc(COc2ccc(/C=C3\SC(=S)NC3=O)cc2OC)o1 14245172 OILXICTUYGUDEQ-NVNXTCNLSA-N 405.453 3.143 10 40 HGCB COc1ccc(/C=C2/C(=O)NN(c3ccc(Cl)c(Cl)c3)C2=O)cc1[N+](=O)[O-] 4181228 QHCDRIIARXTOHD-WDZFZDKYSA-N 408.197 3.372 10 40 HGCB Cc1cc(C)cc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCC2)c1 4330513 CIKPECMBKCDSAJ-QFIPXVFZSA-N 408.546 3.261 10 40 HGCB COc1ccc(/C=C2\SC(=S)NC2=O)cc1OS(=O)(=O)c1ccc(C)cc1 408888960 ABMWTYGUSHIJST-YBEGLDIGSA-N 421.521 3.260 10 40 HGCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccccn1 409243873 VQZLCAVXSFIHAR-QGOAFFKASA-N 402.479 3.320 10 40 HGCB COc1ccc(N/C=C2/C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)c(OC)c1 9350089 DIIYAFMXIUMNFT-WJDWOHSUSA-N 411.483 3.064 10 40 HGCB CCCCC(=O)c1c(NC=C2C(=O)NC(=S)NC2=O)sc2c1CC[C@@H](C)C2 40476947 KDTMKHAXLZJQHU-SNVBAGLBSA-N 405.545 3.073 10 40 HGCB O=C1[C@H]2[C@@H](c3ccc(O)c(O)c3)N(c3ccccc3)O[C@H]2C(=O)N1Cc1ccccc1 102759132 VWXGOXBOHRFSEE-BHDDXSALSA-N 416.433 3.145 10 40 HGCB CCS(=O)(=O)N1CCC(C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)CC1 222622912 ZIEAJXXZXGVPDB-GOSISDBHSA-N 421.607 3.162 10 40 HGCB O=C(O)c1ccc(N2C(=O)/C(=C/c3cnc4ccccc4n3)SC2=S)cc1O 54361184 ODTSEKXUUPMZNF-APSNUPSMSA-N 409.448 3.439 10 40 HGCB COC(=O)c1ccccc1-n1c(C)cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)c1C 409141468 HZXHUVVNKURJGE-CXUHLZMHSA-N 414.439 3.002 10 40 HGCB Cc1ccccc1/N=N/c1ccc(NS(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)c(C)c1 5005009 PECKBIGYSZIWQN-GHVJWSGMSA-N 413.459 3.205 10 40 HGCB CCOC(=O)c1ccc(N(C[C@@H](O)CN=[N+]=[N-])S(=O)(=O)c2ccc(C)cc2)cc1 5182381 VGVHZOJRTKDQBC-KRWDZBQOSA-N 418.475 3.038 10 40 HGCB CN(C)c1ccc(CNC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 18215135 VFRURBKFEGTGBU-UHFFFAOYSA-N 415.559 3.247 10 40 HGCB COC(=O)Cc1c(C)c2cc(Cl)c(O)c(CNCc3ccccc3)c2oc1=O 20648645 VJBJMEBEIYSTJD-UHFFFAOYSA-N 401.846 3.466 10 40 HGCB COc1ccc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc1O 15013452 IDSUIGPTRYQWMF-WQLSENKSSA-N 402.859 3.194 10 40 HGCB CSC1=NSC2=NC(=O)/C(=C/c3coc4ccc(Cl)cc4c3=O)C(=N)N12 4447945 WJWPDRXTSQCJBQ-SHJPDQPOSA-N 404.860 3.386 10 40 HGCB O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C\c1ccc2c(c1)OCO2 5373233 ZBUKFVYJAOXFCP-UNOMPAQXSA-N 411.458 3.347 10 40 HGCB CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3ccccc3OC)C2=O)c1 408858929 RNTMDIZIVCFEMV-FOWTUZBSSA-N 410.426 3.159 10 40 HGCB COCCN1C(=O)/C(=C/c2ccc(OC)c(Cl)c2)C(=O)N(c2ccccc2)C1=O 409016680 VKBCNUCXTYGMEP-VBKFSLOCSA-N 414.845 3.374 10 40 HGCB COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc1ccc(Cl)cc1Cl 3011779 NSUYNWCWXSBAPA-UHFFFAOYSA-N 421.236 3.330 10 40 HGCB CCc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCC2)s1 8801032 OEWJHUJYGBVXRE-FQEVSTJZSA-N 419.616 3.418 10 40 HGCB COc1ccc(N2CCN(C(=O)CCn3nc(C)c(Br)c3C)CC2)cc1 27969286 GGCBAIOWKZRBFP-UHFFFAOYSA-N 421.339 3.010 10 40 HGCB Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N(C)C)c(C)c1 9135451 FWVINLWGTWCGSC-JOCHJYFZSA-N 408.546 3.043 10 40 HGCB CCN(CC)c1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cc1 9932638 DSDIFUHMDLEYJB-UHFFFAOYSA-N 415.559 3.246 10 40 HGCB COc1ccc(/C=C2/SC(=S)N(NC(=O)Cc3ccccc3)C2=O)c(OC)c1 35039023 NZDKFHXGYQYINW-GZTJUZNOSA-N 414.508 3.179 10 40 HGCB CC(=O)Nc1ccc(N/C=C2\C(=O)NC(=O)N(c3cccc4ccccc34)C2=O)cc1 5976269 XKAFAMMKMXHBFV-CPNJWEJPSA-N 414.421 3.377 10 40 HGCB COc1cccc2c1OC1(CCN(C(C)=O)CC1)N1N=C(c3ccccc3O)C[C@H]21 10214477 SLTOZEUBXMTHIM-LJQANCHMSA-N 407.470 3.283 10 40 HGCB COc1ccc(N2CCN(CN3C(=O)c4cc(Cl)c(Cl)cc4C3=O)CC2)cc1 25763949 LXEDCWJYIZMSOC-UHFFFAOYSA-N 420.296 3.378 10 40 HGCB COc1ccc(N2CCN([C@@H](c3nnnn3Cc3cccs3)C(C)C)CC2)cc1 57671572 ACEGZHJSQKERPU-HXUWFJFHSA-N 412.563 3.311 10 40 HGCB O=S(=O)(O)c1cc2cccc(S(=O)(=O)O)c2c(O)c1/N=N\c1ccccc1 104366719 MKKRIGTWQVXWEI-ZCXUNETKSA-N 408.413 3.454 10 40 HGCB CC(C)Oc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc1 22733236 MNWIOHHFEYGSPE-XMMPIXPASA-N 423.557 3.269 10 40 HGCB Cc1ccc(C)c(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)c1 8801057 VVNLKFLSYHBDFH-JOCHJYFZSA-N 413.587 3.411 10 40 HGCB Cc1ccccc1N1C(=O)N=C(O)/C(=C\NN2CCCC[C@H]2c2cccnc2)C1=O 8968955 CIYJBNZKEXNPPH-FLXZHSAZSA-N 405.458 3.429 10 40 HGCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccccc1OCc1cccc(C(=O)O)c1 108241638 OXKPBBBPFJDZCY-ZHZULCJRSA-N 414.417 3.425 10 40 HGCB CCN(CC)c1ccc(CNC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 223082918 HDPIPGJXALEMBT-UHFFFAOYSA-N 417.575 3.232 10 40 HGCB CC(=O)N1CCC2(CC1)C[C@@H](C(=O)NCc1ccc(N(C)C)cc1)c1ccccc1O2 96156838 JKNVVCGUTUQWEH-JOCHJYFZSA-N 421.541 3.316 10 40 HGCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c(OC)c1 408808140 DTZNRRFOOPFTDN-NTEUORMPSA-N 400.818 3.332 10 40 HGCB O=C1N=C(O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1 4857235 FIZHDUNIPFSYLD-UHFFFAOYSA-N 406.148 3.207 10 40 HGCB Oc1c(CN2CCOCC2)cc(/N=N/c2ccccc2)c(O)c1CN1CCOCC1 4991092 IMXTUESDHJSGRL-WCWDXBQESA-N 412.490 3.178 10 40 HGCB COc1cccc(N2C(=O)N=C(O)/C(=C\NN3CCCC[C@H]3c3cccnc3)C2=O)c1 8994927 REFQSLAAQCHPOU-ZSFFSCSXSA-N 421.457 3.129 10 40 HGCB O=C1NN(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2O)o1 16427956 XUAMTRORLUORQX-MHWRWJLKSA-N 409.329 3.161 10 40 HGCB COc1ccc(N2CCN(CCCNC(=O)COc3cccc(C)c3C)CC2)cc1 32763985 CTTPUJLDWQAKAB-UHFFFAOYSA-N 411.546 3.019 10 40 HGCB C[C@H](CN(C)C)Oc1ccc(O[C@H](C)CN(C)C)c2c1C(=O)c1ccccc1C2=O 4783350 BHJBHNPPUHUGQH-HZPDHXFCSA-N 410.514 3.120 10 40 HGCB COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)/C1=C\c1ccc2c(c1)OCO2 408531101 OGSOLDGFFNXJSO-YVLHZVERSA-N 421.405 3.079 10 40 HGCB COc1ccc(N2CCN([C@@H](c3ccccc3)c3sc4ncnn4c3O)CC2)cc1 22609205 PVAMPUQRTHMDKH-IBGZPJMESA-N 421.526 3.417 10 40 HGCB O=C1/C(=C\c2ccc(-c3ccccc3)o2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 8869510 DOFLQCWKWMBYQC-BVTUPMQUSA-N 405.522 3.335 10 40 HGCB Cn1c(SCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nnc1C1CC1 9509064 HYPAXOLYRXKPBS-UHFFFAOYSA-N 418.478 3.199 10 40 HGCB COc1ccc(N2CCN(C(=O)C3CCN(C(=O)c4ccc(C)cc4)CC3)CC2)cc1 409023768 PCFLASIJSGMANE-UHFFFAOYSA-N 421.541 3.205 10 40 HGCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccccn1 223258111 UHHWOYQVYXLZTE-VXKWHMMOSA-N 420.586 3.418 10 40 HGCB Cc1ccc(-c2ccc(/C=C3\SC(=S)N([C@@H](CC(=O)O)C(=O)O)C3=O)o2)cc1 40564251 PJDSEUULTVDVCW-PBTLCFMXSA-N 417.464 3.384 10 40 HGCB O=C(Nc1ccccc1C(=O)O)c1cc(S(=O)(=O)Nc2ccc(O)cc2)cs1 13996912 YQTNHBGEUPDMCI-UHFFFAOYSA-N 418.452 3.205 10 40 HGCB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 12631810 DBGXKBSRRGCHJP-VBKFSLOCSA-N 418.906 3.309 10 40 HGCB COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)C3(O)CCCCC3)c2C)cc1 14146900 URGQWRALITTZBN-UHFFFAOYSA-N 413.470 3.302 10 40 HGCB COc1ccc(N2CCN(C(=O)CNc3ccc(Br)cc3)CC2)cc1 6911281 ZJCKWEJKKBBXGS-UHFFFAOYSA-N 404.308 3.218 10 40 HGCB CCOC(=O)c1ccc(N(C[C@H](O)CN=[N+]=[N-])S(=O)(=O)c2ccc(C)cc2)cc1 5980041 VGVHZOJRTKDQBC-QGZVFWFLSA-N 418.475 3.038 10 40 HGCB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCc1cccnc1 100190980 VGUFHDXANJLKLQ-UYRXBGFRSA-N 421.482 3.021 10 40 HGCB Cc1cc(C(=O)COC(=O)c2nc3nccc(C)n3n2)c(C)n1-c1ccccc1F 3365350 RHJSFVILSSWGBF-UHFFFAOYSA-N 407.405 3.019 10 40 HGCB COc1ccc(N2C(=O)NC(=O)/C(=C/c3cccn3-c3ccc(F)cc3)C2=O)cc1 4550448 DIYMTSFSTRVFEO-UYRXBGFRSA-N 405.385 3.291 10 40 HGCB CN(Cc1ccccc1)C(=O)c1ccc2c(c1NCCO)C(=O)c1ccccc1C2=O 4834486 KXCWURNQTZUMMP-UHFFFAOYSA-N 414.461 3.138 10 40 HGCB CC(C)c1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N(C)C)cc1 8964017 UMKNNMXYTAKUQS-QFIPXVFZSA-N 408.546 3.160 10 40 HGCB COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3OC)C2=O)cc1 13739192 SIJBUFNCZUPPQN-WJDWOHSUSA-N 400.481 3.250 10 40 HGCB C[C@@H](C(=O)NCCc1c[nH]cn1)N1C(=O)/C(=C/c2ccccc2Cl)SC1=S 33583489 PBPZVVYPXRTQQN-LWHXSLQUSA-N 420.947 3.012 10 40 HGCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\Nc1ccc(Br)cc1Cl 110146252 UPRYDYMDZPHTKZ-XFFZJAGNSA-N 424.638 3.270 10 40 HGCB CCC[C@H](NC(=O)CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)C(=O)O 5374980 GEEPSYLCSXHXHC-MLNOSXEOSA-N 418.540 3.204 10 40 HGCB CCOC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(CC(=O)O)C3=O)o2)cc1 12411095 VVYZRPHTWNWVGS-DHDCSXOGSA-N 417.464 3.409 10 40 HGCB O=C(O)COc1ccc(/C=C2\C(=O)N(c3ccccc3)C(=S)N=C2O)cc1Cl 17195562 AANMGHKAEAZDHL-JYRVWZFOSA-N 416.842 3.475 10 40 HGCB COCCNC(=O)CCN1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)SC1=S 27027016 IUXZNMRKTOMRCP-SSZFMOIBSA-N 406.573 3.338 10 40 HGCB C[C@H](C(=O)Nc1ccccc1C(=O)O)N1C(=O)/C(=C\c2ccco2)SC1=S 28296937 TZMIWODHKZZWJM-GMROUXNLSA-N 402.453 3.206 10 40 HGCB CCN(CC)c1ccc(CNC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1 223210324 ADPCNSPSRAYDRH-UHFFFAOYSA-N 423.966 3.269 10 40 HGCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(Cl)cc1Cl 408949704 IQORNRPTRXNNEO-LFYBBSHMSA-N 405.193 3.389 10 40 HGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(ccn4[C@H](C)C(=O)O)c3)C2=O)cc1 409192888 FQAGCNKZHAVPNG-CRRKTRLDSA-N 417.421 3.262 10 40 HGCB CCOc1ccc(C(=O)O)cc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 408829949 XTWAJMAALGEKTL-OQLLNIDSSA-N 414.801 3.103 10 40 HGCB CCOC(=O)C1CCN(C2=NC(=O)/C(=C/c3c[nH]nc3-c3ccccc3)S2)CC1 606422371 RPYIJCPYDLKHGS-ATVHPVEESA-N 410.499 3.322 10 40 HGCB COc1ccc(N2C(=O)/C(=C/c3c(C)n(C)c4ccccc34)C(=O)NC2=S)cc1 408806651 ARXRBYMXXFDEOT-LDADJPATSA-N 405.479 3.327 10 40 HGCB COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 408528693 FAZYQEOTPZDQEI-PDGQHHTCSA-N 422.393 3.259 10 40 HGCB COC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NN(c4ccc(F)cc4)C3=O)o2)cc1 32099489 FDZMBBHZNBOTLX-PDGQHHTCSA-N 406.369 3.334 10 40 HGCB Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 4330488 NRRNKDMDJBWQOG-IBGZPJMESA-N 402.926 3.072 10 40 HGCB CCc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCC1 4330726 LYUZEJMNMXIDLQ-JOCHJYFZSA-N 408.546 3.207 10 40 HGCB CN1CCCc2cc([C@H](CNC(=O)c3ccc4c(c3)OCO4)N3CCCC3)ccc21 13008255 TZRWMHOXFPFPNK-NRFANRHFSA-N 407.514 3.365 10 40 HGCB O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1cccc([N+](=O)[O-])c1 19855991 NMVUHTMHJNFSEB-RGEXLXHISA-N 408.483 3.383 10 40 HGCB COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1cccc(OC)c1O 408767710 GKMYMBWARZUBHK-RGEXLXHISA-N 423.465 3.325 10 40 HGCB CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(F)cc3)N3CCCC3)ccc21 9135594 WPGARFJFHLDYOA-QFIPXVFZSA-N 424.520 3.100 10 40 HGCB COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)c2C)cc1 33633352 URXQRIOJDLJANG-STZFKDTASA-N 415.449 3.342 10 40 HGCB Cc1noc(-c2ccc(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)cc2)n1 84286806 SZVAECTULHKJIF-UHFFFAOYSA-N 410.449 3.075 10 40 HGCB COc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1 408879263 CMXLGKUXFDZNQY-CXUHLZMHSA-N 415.243 3.433 10 40 HGCB O=C(O)c1ccc(N[C@@H]2C(=O)c3ccccc3C(=O)[C@@H]2n2nnc3ccccc32)cc1 28627879 SSJPRJJVQQCSHT-VQTJNVASSA-N 412.405 3.231 10 40 HGCB CC(=O)Oc1cc2c3c(c1)/C(=C1/SC(=S)NC1=O)C(=O)N3C(C)(C)C=C2C 12631649 SKCXBEBNJYIATC-SQFISAMPSA-N 400.481 3.013 10 40 HGCB O=C1/C(=C/c2cccc(F)c2)SC(=S)N1CCC(=O)N1CCCC[C@@H]1CCO 9215873 DRSWXGHFNPDGBV-UDLNKVAWSA-N 422.547 3.181 10 40 HGCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(O)c(I)c1 1405972 YGRDIFIJXYNWEX-UHFFFAOYSA-N 414.195 3.141 10 40 HGCB O=C(CCC(=O)N1CCOCC1)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12 10914077 BNXVYDFOZPOEDG-RUZDIDTESA-N 418.493 3.390 10 40 HGCB COc1ccccc1N1C(=O)/C(=C\c2ccc3c(c2)n(C)c(=O)n3C)SC1=S 409340122 QTLVRQUBSPELRU-GZTJUZNOSA-N 411.508 3.291 10 40 HGCB COc1ccc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c(OC)c1OC 2279729 KUECVYDZDVEKMY-GXDHUFHOSA-N 400.362 3.358 10 40 HGCB COc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3nccs3)C2=O)cc1 13575226 AWKXNZWAVCCKPM-RAXLEYEMSA-N 405.526 3.382 10 40 HGCB COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] 59435787 LSSDPEVNPGCFCV-PDGQHHTCSA-N 408.410 3.476 10 40 HGCB O=C(COCCc1ccccc1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 89832414 UXMZJAUBAASMLA-HXUWFJFHSA-N 402.922 3.386 10 40 HGCB CCS(=O)(=O)N1CCC(C(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)CC1 260507949 PFAOGWVWRHFISK-ROUUACIJSA-N 421.607 3.162 10 40 HGCB CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(O)c(OC)c3)C2=O)cc1 408894245 BUKNXABOVKJOQE-ATVHPVEESA-N 410.426 3.246 10 40 HGCB COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccccc1C(=O)O 409059926 YVQHDXDOGWZMGI-BOPFTXTBSA-N 423.421 3.279 10 40 HGCB C[C@@H](C(=O)O)n1ccc2cc(/C=C3\C(=O)NC(=O)N(c4ccccc4F)C3=O)ccc21 409194135 OFMHWWFHMIXTFL-YGRGUWMTSA-N 421.384 3.092 10 40 HGCB CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3cc(C)n(C)c3C)C2=O)c1 4700186 XEIKYDDGHHLBTQ-GZTJUZNOSA-N 411.458 3.106 10 40 HGCB CCN1C(=O)/C(=C/c2cc(Br)cc(Br)c2OC)NC1=S 409007116 NXEAYBPGCNHNMM-YHYXMXQVSA-N 420.126 3.298 10 40 HGCB COc1ccc(N2CCN(Cc3nc(N)nc(Nc4ccc(C)cc4C)n3)CC2)cc1 9015934 RNYVUPYNLDLJCZ-UHFFFAOYSA-N 419.533 3.145 10 40 HGCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1Cc1cccc(F)c1 408865320 BSVFVDHNDKLSPL-UHFFFAOYSA-N 418.877 3.383 10 40 HGCB O=C(CN1C(=O)S/C(=C/c2ccc(O)c(O)c2)C1=O)Nc1ccc(Cl)cc1 409170301 UPZCONSIQHSNOH-OVCLIPMQSA-N 404.831 3.426 10 40 HGCB COc1cc([C@H]2CC(=O)Nc3ccc4nn(-c5ccccc5)nc4c32)cc(O)c1O 96117252 PMYUEQRBVQDDHD-CQSZACIVSA-N 402.410 3.314 10 40 HGCB CC(=O)Nc1ccc(OS(=O)(=O)c2cccc3c2C(=O)[C@@H]2C=CC=C[C@H]2C3=O)cc1 9367197 FOUIFQDURWZBRD-IAGOWNOFSA-N 423.446 3.150 10 40 HGCB biogenic COc1ccc(/C=C2/SC(=S)N(CC(=O)NC3CCCCC3)C2=O)cc1OC 27530629 MZUPQASTUNGATR-GZTJUZNOSA-N 420.556 3.354 10 40 HGCB COC(=O)c1c(NC(=O)C[C@@H]2Nc3ccccc3NC2=O)sc2c1CC[C@@H](C)C2 646213 FQDDXDFQANSHAW-ABAIWWIYSA-N 413.499 3.421 10 40 HGCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(NS(C)(=O)=O)cc1 11717652 RQUFRAAQLWWCMP-UHFFFAOYSA-N 401.532 3.321 10 40 HGCB CCS(=O)(=O)N1CCC(C(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)CC1 260507961 PFAOGWVWRHFISK-ZWKOTPCHSA-N 421.607 3.162 10 40 HGCB COc1ccc(N2C(=O)NC(=O)/C(=C/c3cccn3-c3cccc(F)c3)C2=O)cc1 4704227 SKMDYQCOUXRDCL-UYRXBGFRSA-N 405.385 3.291 10 40 HGCB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1cc([N+](=O)[O-])ccc1O 35640531 ATHKQAYJQUCBPB-NTEUORMPSA-N 419.440 3.123 10 40 HGCB COc1ccc(CCNc2c(-c3ccc(O)c(O)c3)nc3cnccn23)cc1OC 72341947 UOVAUTMQJDOBOF-UHFFFAOYSA-N 406.442 3.479 10 40 HGCB COc1cc(/C=C2/SC(=S)N([C@H](C(=O)O)c3ccccc3)C2=O)ccc1O 1452161 RYBBZFHEKOTILB-KMPOOHAWSA-N 401.465 3.428 10 40 HGCB CC1=C(C(=O)OCC(F)(F)C(F)(F)F)[C@@H](c2ccc(N(C)C)cc2)NC(=O)N1 863158 XLFUSLOQQJDCKB-CYBMUJFWSA-N 407.339 3.121 10 40 HGCB COc1cc(N2C(=O)/C(=C\C=C\c3ccco3)C(=O)N=C2S)cc(OC)c1OC 6858304 OSKWUAOCMAIICQ-QHOJYGHMSA-N 414.439 3.104 10 40 HGCB Cc1cc(C(=O)CSc2nnnn2Cc2ccccc2)c(C)n1-c1ccccn1 8547983 UJLYZCLCIOYTDX-UHFFFAOYSA-N 404.499 3.499 10 40 HGCB COc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)c(OC)c1 8963363 DJLZXVHZGJSZCY-JOCHJYFZSA-N 409.530 3.263 10 40 HGCB COc1ccc(N2CCN(C[C@@H](O)CO[C@@H]3C[C@@H]4CC[C@@]3(C)C4(C)C)CC2)cc1 9970727 NFQDBPNUWFYENN-WKKBNRPRSA-N 402.579 3.410 10 40 HGCB COc1cc(/C=C2/C(=O)NN(c3cccc(Cl)c3)C2=O)cc(Br)c1O 13577250 CUHWDVVYPFZCKT-XGICHPGQSA-N 423.650 3.278 10 40 HGCB C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OCC)c1OC(C)=O 34702619 OETZESGTHNFNKZ-UYRXBGFRSA-N 406.438 3.201 10 40 HGCB COc1ccc(CCN2C(=O)N=C(O)/C(=C\Nc3ccc(F)cc3)C2=O)cc1OC 102575436 RXKROZOVXNMNDG-FOWTUZBSSA-N 413.405 3.300 10 40 HGCB COc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c1 408869200 RRPFTPRZWYOEAZ-OQLLNIDSSA-N 401.216 3.124 10 40 HGCB CCNc1nc(NCC)n2c(S[C@H](C)C(=O)c3ccc(Cl)cc3)nnc2n1 1772012 CPABHOIMCINLHA-SNVBAGLBSA-N 405.915 3.400 10 40 HGCB COc1cccc(/C=C2\SC(=S)N([C@@H](CCSC)C(=O)O)C2=O)c1OC 5498851 UIPQQYKDHTVJKV-KWJWQAOWSA-N 413.542 3.111 10 40 HGCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1O 33321744 KJCSBHOKDDZHHZ-JYRVWZFOSA-N 403.232 3.015 10 40 HGCB COc1ccc(N2CN=C3S[C@@H](CC(=O)Nc4ccc(C)c(C)c4)C(=O)N3C2)cc1 72333650 HATWFPKCYIKNAC-IBGZPJMESA-N 424.526 3.376 10 40 HGCB CN1CCCc2cc(CNC(=O)[C@H]3CC[C@H](CNC(=O)c4ccccn4)CC3)ccc21 100766651 DDFXNZHMUGSZCF-PUZFROQSSA-N 420.557 3.317 10 40 HGCB CN(C)c1ccc(CN(C(=O)c2ccccc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 4163984 PYOXSWVJMIUTOZ-KRWDZBQOSA-N 406.935 3.236 10 40 HGCB O=C(O)CN1C(=O)/C(=C\c2cc(Br)ccc2OC(F)F)SC1=S 13351938 VKPOKVASDSPBNW-RUDMXATFSA-N 424.244 3.336 10 40 HGCB CCOc1cc2c(cc1/C=C1/C(=O)NC(=S)N(c3cc(C)cc(C)c3)C1=O)OCO2 1161123 XMWDBXMKVCSXBB-PXNMLYILSA-N 424.478 3.262 10 40 HGCB CC(C)[C@H](C)NC(=O)COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O 6460316 VQULMJCATPLKEX-LBPRGKRZSA-N 413.857 3.433 10 40 HGCB Cc1ccc(C(=O)N/C(=C\c2ccc(N(C)C)cc2)C(=O)NC[C@@H]2CCCO2)cc1 19880723 CIAXJILLORSUIP-FLVGQNKLSA-N 407.514 3.127 10 40 HGCB COc1ccc(N2CCN([C@@H](c3nnnn3CCc3ccccc3)C(C)C)CC2)cc1 57671873 OYLYCFUSDUNROE-HSZRJFAPSA-N 420.561 3.444 10 40 HGCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 107758436 FUJJXUMLIPYVPI-GDNBJRDFSA-N 407.338 3.110 10 40 HGCB Cc1ccccc1-n1cccc1/C=C1\C(=O)NC(=O)N(c2ccc3c(c2)OCO3)C1=O 408951321 IRNLHJXUNQJZOK-GZTJUZNOSA-N 415.405 3.181 10 40 HGCB COc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)C(=O)NC2=S)cc1 9311349 UWALREYEVSXYOK-GDNBJRDFSA-N 417.284 3.289 10 40 HGCB COc1ccc(N2CCN(c3nc(C)c(Cc4ccc(C)cc4)c(=O)[nH]3)CC2)cc1 9614620 KLXQRZMTNUOKLV-UHFFFAOYSA-N 404.514 3.313 10 40 HGCB CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCC2)cc1)c1ccccc1Cl 10113555 VLMZOZODLORCKR-UHFFFAOYSA-N 421.950 3.023 10 40 HGCB CN1CCCc2cc([C@@H](CNC(=O)c3c(F)cccc3F)N3CCOCC3)ccc21 13008268 NJSNMPYDAHEBLL-OAQYLSRUSA-N 415.484 3.151 10 40 HGCB CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3cccc4ccccc34)C(=N)N21 41083746 SYIGTNSZZMXGDU-YERBQUFUSA-N 412.496 3.240 10 40 HGCB CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1cc(C(F)(F)F)ccc1Cl 101471654 SGXNVUGBKOKTTH-WBOGTDJTSA-N 421.828 3.060 10 40 HGCB Cc1cc(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)ccc1N1CCCC1=O 223887191 YLRUSSMZPLLKJV-UHFFFAOYSA-N 401.532 3.009 10 40 HGCB COc1ccc(N2CCN(C[C@H](O)CO[C@H]3C[C@H]4CC[C@@]3(C)C4(C)C)CC2)cc1 245026670 NFQDBPNUWFYENN-HJBWUJCXSA-N 402.579 3.410 10 40 HGCB CC(=O)N1C(=O)/C(=C2\SC(Nc3cc(C(=O)O)ccc3C)=NC2=O)c2ccccc21 8821910 ZHEZERQFWCXONH-MSUUIHNZSA-N 421.434 3.039 10 40 HGCB CCOC(=O)C1CCN(C2=NC(=O)/C(=C/c3ccc(OCC)c(OC)c3)S2)CC1 9188896 TVOSKNOCCZOWTO-AQTBWJFISA-N 418.515 3.339 10 40 HGCB O=C(c1cc(-c2cccs2)n[nH]1)N1CCCN(c2ccc3c(c2)OCCO3)CC1 12143347 IJEORBNLQPEVDS-UHFFFAOYSA-N 410.499 3.262 10 40 HGCB CCCCCCN1C(=O)/C(=C2\SC(=S)N(CC(=O)OC)C2=O)c2ccccc21 12635878 TWASCMHXIGAPOR-MSUUIHNZSA-N 418.540 3.358 10 40 HGCB CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)N1CCN(c2ccc(OC)cc2)CC1 57670959 URRKRBNIMXJRKB-QFIPXVFZSA-N 422.533 3.012 10 40 HGCB O=C(O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(/N=N/N2CCCCC2)cc1 9553691 JPJJFZMHMZRKQQ-KSHDEOPHSA-N 416.503 3.145 10 40 HGCB COc1ccc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc1OC 409327453 JXGXAYHNXRSEQQ-NTEUORMPSA-N 406.510 3.312 10 40 HGCB COc1ccc(N2CC[C@@]3(CN(C(=O)CCc4cncnc4)CCC3(F)F)C2)cc1 585101794 HAKDNUPRCRSGQX-NRFANRHFSA-N 416.472 3.182 10 40 HGCB COc1ccc2c3c(n(CCN4CCCC4)c(=O)c2c1OC)-c1ccccc1C3=O 604405972 VEPXWGGWPCCJRW-UHFFFAOYSA-N 404.466 3.326 10 40 HGCB biogenic CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)N(C)C)cc1 5647420 KRXOQSCHUWIUHG-DEDYPNTBSA-N 412.515 3.272 10 40 HGCB COc1cc(/C=C2\C(=O)N(c3ccc(C)c(C)c3)C(=O)N=C2O)cc([N+](=O)[O-])c1O 33926080 YUCGLPIRWPWFNJ-AUWJEWJLSA-N 411.370 3.433 10 40 HGCB N=C1/C(=C/c2ccc(Br)o2)C(=O)N=C2SC(N3CCCCC3)=NN12 41084802 DBNURUPTIKMSCX-HBTROGLPSA-N 408.281 3.105 10 40 HGCB CCOC(=O)C1=CN(c2ccc(OC)cc2OC)c2cc(F)ccc2S1(=O)=O 67340728 NJWARZPEKFIWCV-UHFFFAOYSA-N 407.419 3.173 10 40 HGCB Nc1c(Br)cc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)cc1Br 102673124 RFUAVFVYQXLPRN-ONAGUOBHSA-N 412.081 3.105 10 40 HGCB COC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)C1=O 408549280 RWCJSSIAHAEIFO-VIZOYTHASA-N 422.268 3.467 10 40 HGCB COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 408897791 UAZKSMRHAHXHMU-UHFFFAOYSA-N 414.845 3.294 10 40 HGCB CCOC(=O)c1ccc(N/C=C2/C(=O)NC(=O)N(CCC3=CCCCC3)C2=O)cc1 9089601 AVNIAWMLFZIHNE-JXAWBTAJSA-N 411.458 3.128 10 40 HGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\NC(=O)Nc3ccc(C)c(C)c3)C2=O)c(C)c1 408536014 VFJHCLLORJFYIQ-GZTJUZNOSA-N 406.442 3.209 10 40 HGCB CC(=O)[C@H](N=Nc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 255969512 DLQMNSDNQWLFSS-HNNXBMFYSA-N 416.781 3.098 10 40 HGCB Cn1c(=O)c(C2=NNC(=O)/C2=C\c2c(O)ccc3ccccc23)c(O)c2ccccc21 100247299 KYEFUWLNNOXQMP-ATVHPVEESA-N 411.417 3.020 10 40 HGCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1C(=O)O 6595877 ZLSTVZWEGXCAPJ-XNTDXEJSSA-N 414.801 3.103 10 40 HGCB Cn1c(/C=C2/SC(=S)N(NC(=O)c3ccc(O)cc3)C2=O)cc2ccccc21 5520380 JKTODEGCSZHVOU-GZTJUZNOSA-N 409.492 3.430 10 40 HGCB COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl 6348205 MDBWAKNRZLJUBT-WJQTUHTMSA-N 406.822 3.100 10 40 HGCB Cc1ccc(C)n1-c1ccc(CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])cc1 48369244 KQLSPKWGWCFQSB-UHFFFAOYSA-N 400.460 3.262 10 40 HGCB CCOc1cccc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)c1O 72393150 SKPSCYFUOQWVSL-KRWDZBQOSA-N 406.486 3.316 10 40 HGCB CCN(CC)c1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc1 409245896 ANTKTEWKWPRTGJ-XMHGGMMESA-N 422.485 3.073 10 40 HGCB Cc1cc(C(=O)Cn2cnc3sccc3c2=O)c(C)n1-c1ccc2c(c1)OCO2 7226251 FQRWMZUIPAHKMA-UHFFFAOYSA-N 407.451 3.477 10 40 HGCB CCOc1cc(/C=C2\SC(=S)NC2=O)ccc1OS(=O)(=O)c1ccccc1 13424258 UPHXAAMGYWSSMT-WJDWOHSUSA-N 421.521 3.342 10 40 HGCB CS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)c(Cl)c1 20489533 VRSSKDGNVLKOOE-UHFFFAOYSA-N 407.923 3.242 10 40 HGCB COc1ccc2ccc(O)c(CN3CCN(CC(=O)N4CCCCCC4)CC3)c2c1 22788266 AOUHWULWMVOYCP-UHFFFAOYSA-N 411.546 3.074 10 40 HGCB O=[N+]([O-])c1cccc(-c2csc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)c1 33739309 VJEHFJSGQOFAEL-UHFFFAOYSA-N 406.401 3.427 10 40 HGCB COc1ccccc1/C=C1/SC(=S)N(NC(=O)c2cccc([N+](=O)[O-])c2)C1=O 1820795 WWMLSSSGOILQNZ-XNTDXEJSSA-N 415.452 3.150 10 40 HGCB Cc1cc(O)c(CN2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1C(C)C 22008624 GRDWHHPSLVROHY-UHFFFAOYSA-N 409.596 3.062 10 40 HGCB CSCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2cnc3ccccc3n2)SC1=S 54361174 PAHZPTWFCQKEJA-IAOKNECISA-N 405.526 3.037 10 40 HGCB COc1ccc(N2CCN(C(=O)CCNC(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 5939659 IKIUZGBJUKMZLL-UHFFFAOYSA-N 423.557 3.461 10 40 HGCB CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1OC 408807499 CUXVKMQNLCOEFU-NTEUORMPSA-N 400.818 3.414 10 40 HGCB C[C@H](C(=O)O)n1ccc2cc(/C=C3\C(=O)NC(=S)N(c4ccccc4)C3=O)ccc21 409195297 UAOJMAZROOQNKV-LVLBFHFTSA-N 419.462 3.118 10 40 HGCB Cc1c([C@@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)cnn1C 96114995 HRXQMRZWBAAKBP-ZDUSSCGKSA-N 418.405 3.354 10 40 HGCB biogenic Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 5340561 FGXIEJAYYCYYKU-LJQANCHMSA-N 402.926 3.072 10 40 HGCB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=C1\C(=O)N=C(O)N(c2cc(C)cc(C)c2)C1=O 18205246 DMBNRBIUHRYQFY-LPGQDOADSA-N 416.437 3.056 10 40 HGCB Cc1cccc(C)c1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCCC1 8964165 JQTPAOYFPCKOGA-QFIPXVFZSA-N 420.557 3.188 10 40 HGCB COc1ccc(OC)c(-c2c(C)c3ccc(O)c(CN4CCN(C)CC4)c3oc2=O)c1 20756172 CBSUXYKSJKVIOG-UHFFFAOYSA-N 424.497 3.239 10 40 HGCB biogenic O=C(O)CCN1C(=O)/C(=C2/C(=O)N(Cc3ccccc3)c3ccccc32)SC1=S 967091 QMKLEXYUYQWVDG-ZCXUNETKSA-N 424.503 3.280 10 40 HGCB O=C(O)c1ccc(/C=C2\SC(=S)N(c3ccc(O)c(C(=O)O)c3)C2=O)cc1 4356725 GSXDRHIYYLKUIC-AUWJEWJLSA-N 401.421 3.194 10 40 HGCB Cn1c(=O)n(C)c2cc(CCC(=O)NCc3ccc(N4CCCCC4)cc3)ccc21 19714238 UUDQAVXENJAGLK-UHFFFAOYSA-N 406.530 3.116 10 40 HGCB O=C1NC(=O)C(=Cc2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)C(=O)N1 408802110 DAZJFLUNSFAJQS-UHFFFAOYSA-N 417.377 3.076 10 40 HGCB O=C1NC(=O)C(=Cc2cn(CCOc3ccccc3Cl)c3ccccc23)C(=O)N1 4560266 VTSNIEXMYZEDQN-UHFFFAOYSA-N 409.829 3.123 10 40 HGCB C[C@H](c1ccccc1)N1C[C@@H](C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CC1=O 9379521 CFJOXRMBCFWGCD-KNQAVFIVSA-N 421.541 3.091 10 40 HGCB CC(=O)Oc1ccccc1/C=C1/C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O 106374707 RPDTXKBVMOOSEY-DHDCSXOGSA-N 418.327 3.297 10 40 HGCB Cc1cc(C(=O)NCc2ccc(N3CCCCC3)cc2)ccc1N(C)S(C)(=O)=O 222480420 NBAYVYVUESLDFR-UHFFFAOYSA-N 415.559 3.311 10 40 HGCB COC(=O)COc1ccc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)cc1 409197674 LXGIHFTYKMEBIM-YBEGLDIGSA-N 402.497 3.194 10 40 HGCB CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1O 409340098 QIYCRNZHOLEKPO-NTEUORMPSA-N 406.510 3.399 10 40 HGCB CCN(CC)c1ccc(CNC(=O)CSc2nnnn2-c2ccccc2)cc1C 4740046 KGMQYHJALSQTCY-UHFFFAOYSA-N 410.547 3.225 10 40 HGCB Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1cccnc1 13571236 SLRLXWMFRYGUCB-BOPFTXTBSA-N 420.469 3.460 10 40 HGCB CN1CCN([C@H](CNC(=O)c2cccc(Cl)c2)c2ccc3c(c2)CCN3C)CC1 22733745 ZXHPZNDIDWYFQW-JOCHJYFZSA-N 412.965 3.051 10 40 HGCB COc1cc(/C=C2/SC(=S)N(CCN3CCOCC3)C2=O)ccc1OC(C)C 98002415 RFICGEROLSXXRG-QGOAFFKASA-N 422.572 3.016 10 40 HGCB Cc1cc(C)c(N/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c([N+](=O)[O-])c1 408528460 GCIDBNRYJNOWIY-FMIVXFBMSA-N 414.805 3.444 10 40 HGCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(Cl)ccc2OC)C1=O 409240501 QDHYHTCDLHIAAR-SDNWHVSQSA-N 400.818 3.414 10 40 HGCB CCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)C(=O)N(Cc2ccco2)C1=S 2178591 SMGHQBNGKLWHRR-YBEGLDIGSA-N 412.467 3.348 10 40 HGCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(Cl)c(Cl)c1 408845855 LUOUGUYCXFNMAE-VZUCSPMQSA-N 405.193 3.389 10 40 HGCB C[C@H](OC(=O)c1cccnc1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 6585744 QFICNRWHJMNIGN-ZDUSSCGKSA-N 400.390 3.041 10 40 HGCB O=C1C[C@H](c2ccco2)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1 96221290 IEJALJNGIFBPMB-SNVBAGLBSA-N 422.345 3.316 10 40 HGCB biogenic O=C1c2ccccc2N[C@H](c2cc(Cl)ccc2O)N1CCCN1CCOCC1 12609186 OASGWFCSWKTHNJ-FQEVSTJZSA-N 401.894 3.334 10 40 HGCB CCN(CC)c1ccc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)cc1[N+](=O)[O-] 409095583 DCIKPTAILQDBRV-GXDHUFHOSA-N 409.489 3.117 10 40 HGCB CC(C)Oc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O 408804756 HGAVZXDCWFVLJK-MHWRWJLKSA-N 400.818 3.499 10 40 HGCB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cc(C)on3)C2=O)cc1 4159118 VCZPDELHHVRGEJ-ZROIWOOFSA-N 403.485 3.222 10 40 HGCB Cc1cc(C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c(C)n1-c1ccccn1 9865183 OBOFMPJTVADHKD-DEOSSOPVSA-N 414.465 3.065 10 40 HGCB O=C(NCc1ccccc1)c1ccc2c(c1SCCO)C(=O)c1ccccc1C2=O 4451882 IFXRUYUQYOSZMX-UHFFFAOYSA-N 417.486 3.476 10 40 HGCB Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)c1C 8964162 JLEWJOUPNZCRQS-HSZRJFAPSA-N 420.557 3.188 10 40 HGCB CCOc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)cc1 16838344 VGMXIXHGBMHEIZ-DEOSSOPVSA-N 423.557 3.271 10 40 HGCB Cc1cc(C(=O)CSc2nnnn2C2CC2)c(C)n1-c1ccc2c(c1)OCCO2 9338608 ALZLZQHWLYXDEU-UHFFFAOYSA-N 411.487 3.162 10 40 HGCB CCN(CC)c1ccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)OC)C3=O)c2C)cc1 107898081 IOSBNRKKHMVNJQ-DEDYPNTBSA-N 424.501 3.006 10 40 HGCB Cn1cccc1/C=C1/SC(=S)N(NC(=O)c2ccccc2Br)C1=O 2377214 MEQUVIBWCCIZSW-UKTHLTGXSA-N 422.329 3.334 10 40 HGCB COC(=O)c1sc2nc3c(c(-c4ccc(OC)c(OC)c4)c2c1N)CN(C)CC3 9419954 LYADPMJBSRRGPT-UHFFFAOYSA-N 413.499 3.337 10 40 HGCB CCOC(=O)c1ccc(NC(=S)NCc2ccc(N3CCOCC3)cc2)c(C)c1 225421302 HLZVPXIGQLLSMU-UHFFFAOYSA-N 413.543 3.495 10 40 HGCB CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCC(=O)NC2=NCCS2)C1=O 16661204 KHTKFGRNFUHYED-CEHLPYKYSA-N 417.581 3.443 10 40 HGCB CCOC(=O)c1c(NC(=O)CCC(=O)NCc2ccco2)sc2c1CCCC2 4130205 BRTDBTWVPWWWOI-UHFFFAOYSA-N 404.488 3.432 10 40 HGCB Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc1C 8964188 PFTANCMGMNQIOA-HSZRJFAPSA-N 420.557 3.188 10 40 HGCB CC(=O)N1[C@H](c2ccc(N(C)C)cc2)N(S(=O)(=O)c2ccc(C)cc2)C[C@H]1C 4747609 FNJNPAMFNJEOMW-IIBYNOLFSA-N 401.532 3.001 10 40 HGCB COc1ccc(N(CCC(N)=O)Cc2cc3c(cc2Br)OCCO3)cc1 8705872 ZWQDIDDQSPURCN-UHFFFAOYSA-N 421.291 3.111 10 40 HGCB CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC3)cc1Cl 28257339 UUFQSCXSVJQACB-UHFFFAOYSA-N 400.909 3.001 10 40 HGCB O=C(CCN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1ccc(C(=O)O)cc1 35640537 LCGJRWOLCNBEHQ-UVTDQMKNSA-N 402.453 3.208 10 40 HGCB CC1=NC(=S)N(NCC(=O)c2ccccc2)C(=O)[C@@H]1N=Nc1ccc([N+](=O)[O-])cc1 245241035 WMZJSOSCXVJAQE-QGZVFWFLSA-N 424.442 3.023 10 40 HGCB COc1cc(CNC(=O)c2nc(-c3ccc(-n4cccc4)cc3)no2)cc(OC)c1 4623087 INPPVQCMAKCOSD-UHFFFAOYSA-N 404.426 3.475 10 40 HGCB COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)/C1=C\c1cccc(OC)c1 6307903 HJFZNITZCBUFIT-UYRXBGFRSA-N 407.422 3.359 10 40 HGCB CCCCN1C(=O)[C@@H](C(=O)OCC)[C@@H](c2ccc(O)c(O)c2)n2c1nc1ccccc12 20675291 JPVGNBLOKBWLRB-VQTJNVASSA-N 423.469 3.363 10 40 HGCB CCn1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c(=O)c2cc(OC)ccc21 22235928 MWTIUXHBOGQGPD-UHFFFAOYSA-N 421.497 3.001 10 40 HGCB Cc1cc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c(C)n1-c1ccc2c(c1)OCCO2 28490780 MLOUXWGVAIKUTL-UHFFFAOYSA-N 404.426 3.287 10 40 HGCB CN(CC(=O)Nc1ccc(F)cc1)C(=O)CSc1ncc(-c2ccccc2)n1C 5263941 JGQWKNUPCXRKQF-UHFFFAOYSA-N 412.490 3.415 10 40 HGCB CN(C)c1ccc([C@@H](CNC(=O)C(=O)NC2CCCC2)N2CCc3ccccc32)cc1 5350227 KZGVMKRSAKRHSK-HSZRJFAPSA-N 420.557 3.031 10 40 HGCB COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1cccc(OC)c1O 6272764 OHZHQUVIERMRBW-WJDWOHSUSA-N 410.382 3.186 10 40 HGCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\Nc1ccc(Oc2ccccc2)nc1 108214550 KHGDNOYEVAJOAT-ATVHPVEESA-N 404.382 3.041 10 40 HGCB CN1CCN(c2ccc(CNC(=S)Nc3ccc(N4CCCC4=O)cc3)cc2)CC1 225776957 GMWYSUBILSCTKG-UHFFFAOYSA-N 423.586 3.052 10 40 HGCB CCN(CC)c1ccc(C=c2sc3nc(-c4ccccc4OC)nn3c2=O)cc1 254308120 IMCGPNYNTRSEMV-UHFFFAOYSA-N 406.511 3.221 10 40 HGCB CCOc1cccc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)c1O 72393151 SKPSCYFUOQWVSL-QGZVFWFLSA-N 406.486 3.316 10 40 HGCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCCCC4)cc3)C2=O)cc1 408960037 IGXXMVCHONFJOW-HMMYKYKNSA-N 405.454 3.352 10 40 HGCB O=c1oc2c(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)c(O)ccc2c2c1CCCC2 524729518 WOQOFFHMNNRJSM-CVEARBPZSA-N 418.493 3.158 10 40 HGCB biogenic O=C(COc1ncnc2ccccc12)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 5904402 NAICVDXQRUBNGN-UHFFFAOYSA-N 409.401 3.423 10 40 HGCB Cc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N(C)C)c(C)c1 8798845 FKMLADKNPHXPFS-OAQYLSRUSA-N 401.576 3.267 10 40 HGCB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(Br)s1 9259183 NGDCVTHTWJMULI-VQHVLOKHSA-N 411.277 3.481 10 40 HGCB O=C(O)CCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc3c(c1)OCO3)N2 4623653 FKCUFGDZFCIEGA-WCJKSRRJSA-N 406.438 3.446 10 40 HGCB C[C@@H](NC(=O)c1cccc(CN2CCCC2=O)c1)c1ccc(N2CCOCC2)cc1 19717226 AJODKYQDMMLORZ-GOSISDBHSA-N 407.514 3.137 10 40 HGCB CCOC(=O)[C@@H](C)Oc1ccc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 35084762 OUVKQKOAGNBQTP-KAECEXQPSA-N 414.845 3.132 10 40 HGCB COc1ccc(NC(=O)COc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1Cl 32956466 GKASAQIQJYHCAY-UHFFFAOYSA-N 417.893 3.035 10 40 HGCB COc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)cc(OC)c1O 59135984 CHEFZJPLHXYDKP-YRNVUSSQSA-N 402.403 3.220 10 40 HGCB COc1ccc(OC)c(N2C(=O)N=C(O)/C(=C/Nc3ccc(NC(C)=O)cc3)C2=O)c1 102589428 MFFBXBXNUKJFBC-WJDWOHSUSA-N 424.413 3.081 10 40 HGCB CN1CCCc2cc(CNC(=O)[C@H]3CC[C@H](CNC(=O)c4ccncc4)CC3)ccc21 2038127037 CEUGHCVHJLULFM-KESTWPANSA-N 420.557 3.317 10 40 HGCB CC(C)c1ccc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)cc1 4971148 URFLPAQDTQSKQN-PYDVBCTCSA-N 404.517 3.210 10 40 HGCB O=C(COC(=O)c1ccc(F)cc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 5754570 MRWYRIAIFIXWCE-UHFFFAOYSA-N 403.365 3.397 10 40 HGCB COc1cccc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)c1O 9188747 SKOAVDKKKDJJBA-GDNBJRDFSA-N 400.481 3.255 10 40 HGCB CCN(CC)c1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 9932437 GMWMXSUMCPGXGR-UHFFFAOYSA-N 403.548 3.055 10 40 HGCB O=C(O)[C@H]1CCCCN1C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 33589867 HSARELGCURJBEA-KECPUOCWSA-N 424.569 3.195 10 40 HGCB Nc1c(Br)cc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1Br 100701722 RFUAVFVYQXLPRN-ZWRCQFPCSA-N 412.081 3.105 10 40 HGCB Cc1c(C(=O)NCc2ccc(N3CCCCC3)cc2)cccc1N(C)S(C)(=O)=O 222438707 QUJKBUOVDOFRIH-UHFFFAOYSA-N 415.559 3.311 10 40 HGCB O=C1NC(=O)N(CCc2ccccc2)C(=O)/C1=C/Nc1cccc(Br)c1 408529893 KKWHUZSYPZNMIB-FOWTUZBSSA-N 414.259 3.066 10 40 HGCB CSCC[C@@H](C(=O)O)N1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S 16931432 PKAOWGZIAVZOMF-GRRFOWRYSA-N 407.538 3.413 10 40 HGCB C[C@H]1CN(c2ccc(CNC(=O)Cn3ccc(=O)c4ccccc43)cc2F)C[C@H](C)O1 69419511 ONBKEIUGFXNYAQ-IRXDYDNUSA-N 423.488 3.071 10 40 HGCB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(O)c(O)c3)[C@H]2C(=O)N1c1ccccc1F 102760908 OOLATHWMEFKARF-NJYVYQBISA-N 420.396 3.288 10 40 HGCB CCOC(=O)COc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 409083688 OLUJGMXNOOWWTF-HEUOVEHFSA-N 407.513 3.009 10 40 HGCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc(Br)c([N+](=O)[O-])c1 409201486 NODFRTWNHJVOJQ-WQLSENKSSA-N 416.187 3.024 10 40 HGCB O=C1c2ccccc2C(=O)c2c1c(C(=O)N[C@@H](CO)Cc1ccccc1)c1ccccn21 95479362 SINNSPZORJSXKI-QGZVFWFLSA-N 424.456 3.048 10 40 HGCB CCN1C(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)NC1=S 409392748 RPRYFQCYQZOQTM-XYOKQWHBSA-N 405.819 3.155 10 40 HGCB COc1cccc2c1OC1(CCN(C(C)=O)CC1)N1N=C(c3ccccc3O)C[C@@H]21 10214474 SLTOZEUBXMTHIM-IBGZPJMESA-N 407.470 3.283 10 40 HGCB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=C1/C(=O)NC(=O)N(c2ccccc2)C1=O 409003736 KNSLUJWLYNSUML-LGMDPLHJSA-N 408.414 3.107 10 40 HGCB COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)/C1=C\c1ccc2c(c1)OCO2 409374898 BEVHNXHQGIHDTJ-NVMNQCDNSA-N 405.406 3.495 10 40 HGCB Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCC2)c1C 4330581 GJNCKXLODBAPCP-QFIPXVFZSA-N 408.546 3.261 10 40 HGCB CN(C)CCOC(=O)CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S 6087981 JWELNXGAOXAPMY-NTCAYCPXSA-N 412.964 3.426 10 40 HGCB C[C@H](C(=O)N1CCCC[C@@H]1CCO)N1C(=O)/C(=C\c2ccccc2)SC1=S 6660661 PMELIGHKNHXTEV-OPYFLPRWSA-N 404.557 3.040 10 40 HGCB CCN1C(=O)NC(=O)/C(=C\c2cn(CCOc3ccccc3)c3ccccc23)C1=O 5867643 NPEOHJILZXCMBF-XMHGGMMESA-N 403.438 3.202 10 40 HGCB O=C1c2ccccc2N[C@@H](c2cc(Cl)ccc2O)N1CCCN1CCOCC1 12609184 OASGWFCSWKTHNJ-HXUWFJFHSA-N 401.894 3.334 10 40 HGCB Cc1n[nH]c(C)c1CCc1cc(O)n2ncc(C(=O)Nc3ccc(Cl)cc3)c2n1 19578952 KQNROXOOWRQHRF-UHFFFAOYSA-N 410.865 3.466 10 40 HGCB CC1(C)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2CN(Cc3ccccc3O)CCN21 253399033 IAEPEHYYYFJISK-FQEVSTJZSA-N 413.949 3.466 10 40 HGCB biogenic,in-vitro CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1Cc1cccc(F)c1 408871694 ZDNBKZALSJUTAN-UHFFFAOYSA-N 402.809 3.218 10 40 HGCB O=C1/C(=C/c2ccccc2Cl)SC(=S)N1CC(=O)N1CCCC[C@H]1CCO 13572240 WKWZGQCNTUYLHU-HNDQUVLASA-N 424.975 3.305 10 40 HGCB COc1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)ccc1OC(=O)c1ccccc1F 13942417 MMTOPUBLWUBUEK-ISOCJEKQSA-N 424.413 3.302 10 40 HGCB Cn1cc([C@@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)cn1 96115579 FYNQLTFWPOMIQX-ZDUSSCGKSA-N 404.378 3.046 10 40 HGCB biogenic COc1ccc(C(=O)NN2C(=O)/C(=C\c3nc4ccccc4[nH]3)SC2=S)cc1 5236048 TUWIBRGPCOTHJL-XNTDXEJSSA-N 410.480 3.118 10 40 HGCB COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OC(C)C 409374773 YZRYZIFGQSCRHQ-VGOFMYFVSA-N 418.833 3.391 10 40 HGCB COC(=O)c1cc(C(=O)OC)cc(-c2ccc(/C=C3/SC(=S)NC3=O)o2)c1 6640383 NNIMPBQGGZCXDB-RIYZIHGNSA-N 403.437 3.009 10 40 HGCB O=C1/C(=C/c2ccccc2Cl)SC(=S)N1CC(=O)N1CCCC[C@@H]1CCO 13572243 WKWZGQCNTUYLHU-VQCBNXJZSA-N 424.975 3.305 10 40 HGCB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)NN=C2C)cc1[N+](=O)[O-] 33316812 KTXZZHBWDIIDBY-LICLKQGHSA-N 403.398 3.345 10 40 HGCB C[C@@H]1[C@@H](NC(=O)c2ccc3c(c2NCCO)C(=O)c2ccccc2C3=O)CCC[C@H]1C 102684734 ZBMXUUQVKKVKFH-SIFCLUCFSA-N 420.509 3.421 10 40 HGCB CC[C@H](C)[C@@H](NC(=O)CCN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S)C(=O)O 5552914 VIHLWYUSLNOLTE-ZMTDSZPYSA-N 420.556 3.202 10 40 HGCB Cc1cc(C)c(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N(C)C)c(C)c1 8800540 RMWPITAQOWXWKR-NRFANRHFSA-N 401.576 3.185 10 40 HGCB COc1ccc(-c2c(C)c3ccc(O)c(CN4CCOCC4)c3oc2=O)cc1OC 20605060 OVSYFBCWGPQAPC-UHFFFAOYSA-N 411.454 3.323 10 40 HGCB biogenic CC(=O)N1CCN(c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)CC1 32956435 VNDYQTSQOSQMED-UHFFFAOYSA-N 421.419 3.391 10 40 HGCB CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OC 41078357 TTZBDHDRAVIFDD-NVMOYFHGSA-N 406.236 3.307 10 40 HGCB CCOc1cc(/C=C2/SC(=S)NC2=O)ccc1OS(=O)(=O)c1ccccc1 6600665 UPHXAAMGYWSSMT-LFIBNONCSA-N 421.521 3.342 10 40 HGCB COc1ccc(OC)c(N/C=C2/C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)c1 9244959 AYGYOSQLBBVWAI-WJDWOHSUSA-N 411.483 3.064 10 40 HGCB CSc1nc(N)c(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)c(O)n1 17021148 UXQFJFOXPXQOSD-QURGRASLSA-N 417.476 3.098 10 40 HGCB O=C1CCCN1c1ccc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)cc1 44947556 QXVVQAVODSTAOW-UHFFFAOYSA-N 413.543 3.282 10 40 HGCB O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)N1CCCC1 1146287 NJNYRMHTMPTUAJ-WJDWOHSUSA-N 404.513 3.019 10 40 HGCB COc1ccc(N2C[C@@](O)(c3ccc(OC(F)F)cc3)[N+]3=C2SCCC3)cc1 2965942 BBBGUDKQMQBMNI-HXUWFJFHSA-N 407.462 3.467 10 40 HGCB O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc2c(c1)OCO2 4771048 WJRWAXAVSKIVCC-MLPAPPSSSA-N 404.300 3.101 10 40 HGCB Cc1ccc(/C=C/C(=O)N(Cc2ccc(N(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 5025245 ALKMXPCUXMFZSZ-FLSMSTFGSA-N 412.555 3.290 10 40 HGCB Cc1c(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cccc1N1CCOCC1 19716594 VOWNSHDHOYRTDR-IBGZPJMESA-N 409.530 3.159 10 40 HGCB COc1cc(/C=C2/SC(=S)N(c3ccc(O)c(C(=O)O)c3)C2=O)ccc1O 27530373 LGFSGPBOQHOTKH-VIZOYTHASA-N 403.437 3.210 10 40 HGCB CN(C)c1ccc(CNS(=O)(=O)c2c(F)cc(F)cc2Br)cc1 32740509 YGYHGQJFMGTRKH-UHFFFAOYSA-N 405.264 3.272 10 40 HGCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(N(C)C)cc3)SC2=S)cc1 33795089 LJSSQXJMKOIRFG-SFQUDFHCSA-N 413.524 3.307 10 40 HGCB COC(=O)c1cc(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)ccc1C 223859396 IMIHVRVDTDDJLF-MRXNPFEDSA-N 416.543 3.496 10 40 HGCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1O 409044820 DLKJCZRJQAHVOA-LFYBBSHMSA-N 422.180 3.274 10 40 HGCB O=C(CN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc(C(=O)O)cc1 1859052 PPVOSCKLXUULHC-JYRVWZFOSA-N 404.494 3.286 10 40 HGCB O=C(NN1C(=O)/C(=C/c2ccc3ccccc3n2)SC1=S)c1cccc(O)c1 13724065 CZFWLLLWXRIMJG-BOPFTXTBSA-N 407.476 3.487 10 40 HGCB COc1ccc(N2CCN(CCCNC(=O)c3ccc4ccccc4n3)CC2)cc1 24088691 RJGAQSNTMZRKHW-UHFFFAOYSA-N 404.514 3.186 10 40 HGCB Cc1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccncc4)C3=O)o2)cc1[N+](=O)[O-] 409391151 HRUZWLKJTOTUDR-LFIBNONCSA-N 418.365 3.225 10 40 HGCB COc1cccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)c1OC 1190790 QTQPPROTOCUJAM-RVDMUPIBSA-N 400.481 3.250 10 40 HGCB CN1CCc2cc([C@@H](CNS(=O)(=O)c3ccc4c(c3)CCCC4)N(C)C)ccc21 8800651 IJRZCIZZVUXRJO-HSZRJFAPSA-N 413.587 3.139 10 40 HGCB Cc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 12740996 AFEWBVLPRKEKFP-CHHVJCJISA-N 417.468 3.288 10 40 HGCB C[C@H](Oc1ccc2ccccc2c1/C=C1/C(=O)NN(c2ccccc2)C1=O)C(=O)O 33385604 NYVYTUYSNAHEGD-QIQQCEGHSA-N 402.406 3.153 10 40 HGCB CCOc1ccc(-c2cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)n[nH]2)cc1 51315720 YSYLSEWEOJEZDI-UHFFFAOYSA-N 406.486 3.446 10 40 HGCB COc1ccc(C=C2C(=O)NC(=O)NC2=O)c(OCc2ccc(Cl)cc2Cl)c1 408810469 JWWLLYXEEDNIHH-UHFFFAOYSA-N 421.236 3.330 10 40 HGCB Cc1cc2oc(=O)c3c(c2c(O)c1C1=NN[C@H](c2ccc4c(c2)OCO4)C1)CCC3 12296342 QUVABAIZQJMEOE-HNNXBMFYSA-N 404.422 3.463 10 40 HGCB biogenic CN(C)c1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 21935482 VRBWVFWYQSMOTJ-UHFFFAOYSA-N 409.511 3.483 10 40 HGCB CCOc1ccc(/C=C2/SC(=S)N(N3C(=O)c4ccccc4C3=O)C2=O)cc1 96247360 IRJNGFYACABSQM-LFIBNONCSA-N 410.476 3.498 10 40 HGCB COc1ccc2c3c(n(CCn4cccn4)c(=O)c2c1OC)-c1ccccc1C3=O 604404834 SSQKLXLECJHTQW-UHFFFAOYSA-N 401.422 3.127 10 40 HGCB biogenic Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 4330489 NRRNKDMDJBWQOG-LJQANCHMSA-N 402.926 3.072 10 40 HGCB O=S(=O)(O)c1cc2cccc(S(=O)(=O)O)c2c(O)c1/N=N/c1ccccc1 4804137 MKKRIGTWQVXWEI-ISLYRVAYSA-N 408.413 3.454 10 40 HGCB Cc1cccc(C(=O)NN2C(=O)/C(=C\c3nc4ccccc4n3C)SC2=S)c1 5236054 BGCWLNIBIUVGEP-LFIBNONCSA-N 408.508 3.428 10 40 HGCB Cc1cc(-n2c(C)cc(/C=C3\NC(=O)NC3=O)c2C)ccc1I 16282362 APVXFOGBPIKJNN-NVNXTCNLSA-N 421.238 3.187 10 40 HGCB O=C(C1=CN(c2ccccc2F)c2cc(Cl)ccc2S1(=O)=O)N1CCOCC1 67245533 HDQNGDMNYMOOQZ-UHFFFAOYSA-N 422.865 3.105 10 40 HGCB O=C1NC(=S)NC(=O)C1=Cc1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 827855 HCBYTKLRYKBOOR-UHFFFAOYSA-N 421.261 3.127 10 40 HGCB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cc1 58158724 VDFAQDAZTISBSQ-SIKLNZKXSA-N 413.562 3.051 10 40 HGCB COc1ccc(N2CCN(C[C@@H](O)CO[C@H]3C[C@H]4CC[C@@]3(C)C4(C)C)CC2)cc1 245026672 NFQDBPNUWFYENN-WHOZBFMKSA-N 402.579 3.410 10 40 HGCB COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccccc1O 408769326 MPTFEVRPNRODKW-JXAWBTAJSA-N 423.465 3.325 10 40 HGCB O=C1NC(=S)N(c2cccc(F)c2)C(=O)/C1=C/c1cccn1-c1ccc(O)cc1 409019058 XTNAIXDYWIFHEO-LDADJPATSA-N 407.426 3.153 10 40 HGCB CCOc1cc(/C=C2/SC(=S)N([C@@H](CCSC)C(=O)O)C2=O)ccc1O 1786476 WBPHXDQRAIJKJY-LUHPIMIVSA-N 413.542 3.198 10 40 HGCB O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1cccc2nonc12 9252809 QJXHJCINOMBLGB-GXDHUFHOSA-N 414.468 3.436 10 40 HGCB O=C(NN1C(=O)/C(=C/c2ccc3ccccc3n2)SC1=S)c1ccccc1O 9423159 WZJXUHHUSKMSKC-BOPFTXTBSA-N 407.476 3.487 10 40 HGCB C[C@@H](NC[C@@]1(N2CCOCC2)CCSC1)c1cc(Br)ccc1O 96009175 XDWLCSSIQPQFCB-DYVFJYSZSA-N 401.370 3.013 10 40 HGCB COC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3C(=O)O)c2C)C1=O 409215227 VSKLCQRENQURGA-CXUHLZMHSA-N 414.439 3.002 10 40 HGCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1C 409232868 IVAKWNIZSMTJDE-OVCLIPMQSA-N 407.417 3.492 10 40 HGCB COc1ccc([C@@]2(O)CN(c3cc(OC)ccc3OC)C3=[N+]2CCCS3)c(F)c1 2965898 SNXZWCPMJJQPDJ-NRFANRHFSA-N 419.498 3.022 10 40 HGCB CCN(CC)C(=O)CN1C(=O)S/C(=C\c2ccc(N3CCCC3)c(C)c2)C1=O 409213592 PYALBMNGLLOYQZ-AQTBWJFISA-N 401.532 3.500 10 40 HGCB CCCc1cc(=O)oc2c(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)c(O)ccc12 524730577 NUHMKUJIXHDJFR-WBVHZDCISA-N 406.482 3.232 10 40 HGCB biogenic CCCCN1C(=O)/C(=C/c2c(N3CCCC3)nc3ccccn3c2=O)SC1=S 6592342 VTGQCQVVLKTJDR-SQFISAMPSA-N 414.556 3.296 10 40 HGCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\Nc1ccc(Cl)cc1[N+](=O)[O-] 8429927 KNWSYLFSWRBILW-WQLSENKSSA-N 421.196 3.480 10 40 HGCB O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)NCCc1ccc(O)cc1 13572504 HVYLIMURHCKTCX-VBKFSLOCSA-N 418.565 3.404 10 40 HGCB COc1cc(/C=C2\SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)ccc1O 19842243 WBVHJWKACMUXRO-ZHZULCJRSA-N 409.511 3.189 10 40 HGCB CCC[C@@H](c1nnnn1Cc1ccccc1)N1CCN(c2ccc(OC)cc2)CC1 57670627 YIKDBBLMZVGMIN-QFIPXVFZSA-N 406.534 3.393 10 40 HGCB Cc1cc(N2C(=O)NC(=O)/C(=C\c3ccccc3O)C2=O)ccc1Br 408762186 DEJDCDLINDWHDP-UKTHLTGXSA-N 401.216 3.130 10 40 HGCB COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=S)N(NC(=O)c2cccs2)C1=O 409333364 SCUKDZHGQPNBCA-MDWZMJQESA-N 421.481 3.211 10 40 HGCB CCN1C(=O)/C(=C/c2cc(Br)ccc2OCC(=O)OC)SC1=S 409350762 YZSBFHSENCFZDH-GHXNOFRVSA-N 416.318 3.222 10 40 HGCB COc1ccc(N2CCN(C(=O)CSc3nnc(-c4cccs4)o3)CC2)cc1 928226 SJHOICWNASEOGH-UHFFFAOYSA-N 416.528 3.248 10 40 HGCB Nc1ccc(/N=N/c2c(S(=O)(=O)O)cc3ccccc3c2S(=O)(=O)O)cc1 3953856 XPTYWVPRQGSINY-VHEBQXMUSA-N 407.429 3.331 10 40 HGCB in-vitro CCN(CC)c1ccc(CNC(=O)[C@@H](C)N(c2cccc(F)c2)S(C)(=O)=O)cc1 224635644 XYFVDSJUBZPCDV-MRXNPFEDSA-N 421.538 3.143 10 40 HGCB COc1ccc(-n2nnnc2CNC(=O)c2c(-c3ccccc3Cl)noc2C)cc1 9570407 BWLQPTXCSFBLKX-UHFFFAOYSA-N 424.848 3.218 10 40 HGCB COc1ccc(N(CC(=O)NCC(=O)Nc2cc(C)ccc2OC)C(C)C)cc1F 58265660 SMODEYIEGSLGJE-UHFFFAOYSA-N 417.481 3.121 10 40 HGCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2nc(-c3ccccc3)cs2)C1=O 408526174 ACSRAPRKJGUFRU-FOWTUZBSSA-N 418.478 3.951 10 40 HGCB CN(C)c1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 408954016 RLSZZQQORIBWDU-HMMYKYKNSA-N 400.438 3.210 10 40 HGCB COc1ccc(OC)c(/C=C2\SC(=S)N([C@H](CCSC)C(=O)O)C2=O)c1 5501270 MZRHXSZHLGJRSN-OJLMPMFISA-N 413.542 3.111 10 40 HGCB CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1ccc(Br)cc1 7100548 DHIKFONTOXGOLV-UHFFFAOYSA-N 405.292 3.331 10 40 HGCB O=C(CCc1ccc(-c2ccccc2F)o1)NCc1ccc(N2CCNC(=O)C2)cc1 32915693 MKXALRROQCVPFH-UHFFFAOYSA-N 421.472 3.271 10 40 HGCB C[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(N2CCCCC2)cc1 225423368 JQQWAUOGZZUEES-KRWDZBQOSA-N 415.559 3.418 10 40 HGCB CN1CCCc2cc(CNC(=O)[C@H]3CC[C@H](CNC(=O)c4cccnc4)CC3)ccc21 257319941 VURMZFIRLPGHOD-KESTWPANSA-N 420.557 3.317 10 40 HGCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)n1C[C@@H]1CCCO1 409198455 AUYBGUAAIRLTBG-LPGQDOADSA-N 409.511 3.115 10 40 HGCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc(Cl)c1O 4673373 PZQVPAFQTJPUDU-WUXMJOGZSA-N 406.822 3.025 10 40 HGCB CCCC[C@H](NC(=O)CCN1C(=O)/C(=C\c2ccccc2)SC1=S)C(=O)O 5374889 LBPFASWELSBSOV-YEQVNJDRSA-N 406.529 3.038 10 40 HGCB CCc1ccc(N2C(=O)/C(=C3/C(=O)N(CC(=O)O)c4ccccc43)SC2=S)cc1 8821633 NYMGUADQNVSEFE-ZCXUNETKSA-N 424.503 3.456 10 40 HGCB COc1ccc(N2CN=C3S[C@H](CC(=O)Nc4ccc(C)c(C)c4)C(=O)N3C2)cc1 72333649 HATWFPKCYIKNAC-LJQANCHMSA-N 424.526 3.376 10 40 HGCB COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)c1O 102731327 QTHGDONZKVGCNF-KCZVDYSFSA-N 416.433 3.452 10 40 HGCB CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(I)c1O 409350098 XEMBLFUOTWNMGD-POHAHGRESA-N 421.281 3.227 10 40 HGCB O=C(COC(=O)COc1ccccc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 6460225 LRDWGNSYYUKSDU-UHFFFAOYSA-N 415.401 3.023 10 40 HGCB COc1cccc(CN2CCC(c3cc(C(F)(F)F)n4ncnc4n3)CC2)c1O 12329955 NMPHPHNJLOMRPC-UHFFFAOYSA-N 407.396 3.237 10 40 HGCB COc1ccc(N2CCN(CCCNC(=O)c3ccc(OC(F)F)cc3)CC2)cc1 32763946 BUFPRLAKZUFLAS-UHFFFAOYSA-N 419.472 3.239 10 40 HGCB Cc1cc(C(=O)NN2C(=O)C[C@@H](c3ccccc3)C2=O)c(C)n1-c1ccc(F)cc1 103214724 CJMATBKPCBXGDL-FQEVSTJZSA-N 405.429 3.421 10 40 HGCB COc1ccc(C=C2C(=O)NC(=O)NC2=O)c(OCc2cccc3ccccc23)c1 408812833 PQXYKINNCOFYIO-UHFFFAOYSA-N 402.406 3.177 10 40 HGCB CC(=O)N1CCN(C2=NC(=O)/C(=C/c3ccccc3OCc3ccccc3)S2)CC1 868836 KRJYCPDJRHWYRY-QNGOZBTKSA-N 421.522 3.400 10 40 HGCB COc1cccc(OC)c1C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCCC1 8963247 KVTQSTUWZDTKGG-HXUWFJFHSA-N 409.530 3.263 10 40 HGCB CCN(CC)c1ccc(CN2CCc3c(nc(-c4ccncc4)[nH]c3=O)C2)c(OC)c1 12222120 AEDQBRVTFASQER-UHFFFAOYSA-N 419.529 3.245 10 40 HGCB CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C\c1ccc(O)c([N+](=O)[O-])c1 96193382 NRTKIMUJQGGKMN-SDQBBNPISA-N 401.762 3.458 10 40 HGCB CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N\c1cc(Cl)cc(S(=O)(=O)O)c1O 104212868 LSFNRVBPDLEXDS-ORIGZDJFSA-N 408.823 3.167 10 40 HGCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccccn1 223257959 UHHWOYQVYXLZTE-FGZHOGPDSA-N 420.586 3.418 10 40 HGCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl 408811813 WJGYYYDECIJOCO-RIYZIHGNSA-N 415.789 3.313 10 40 HGCB CCOc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCC2)cc1 4330697 GOLKIDJECKLHOS-JOCHJYFZSA-N 424.545 3.043 10 40 HGCB CC[C@H](NC(=O)CCN1C(=O)/C(=C\C(C)=C\c2ccccc2)SC1=S)C(=O)O 5374994 AQOMSKUIBKFEAI-NMYGKSDESA-N 418.540 3.204 10 40 HGCB Cc1cc(N2CCCC2)ccc1/C=C1\NC(=O)N(CC(=O)Nc2ccccc2F)C1=O 23213146 PXWCJNVXZGTPIR-MOSHPQCFSA-N 422.460 3.266 10 40 HGCB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(N4CCCC4)c(C)c3C)C2=O)o1 33664963 DKXOQWCIYNLJAP-PDGQHHTCSA-N 423.469 3.376 10 40 HGCB Cc1cc(C(=O)CN2CCCc3ccccc32)c(C)n1-c1ccc(S(N)(=O)=O)cc1 13061871 VHTQVHDYZPCKHA-UHFFFAOYSA-N 423.538 3.377 10 40 HGCB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NC(=O)N(c3ccncc3)C2=O)o1 409393884 SVZUVWHDGKGUKR-BOPFTXTBSA-N 418.365 3.225 10 40 HGCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1c[nH]c2ccc(Br)cc12 13880138 BBHRBEAKPQDWNN-MKMNVTDBSA-N 414.215 3.185 10 40 HGCB CCOC(=O)c1sc(N2N=C(C)/C(=C\c3ccc(O)c(OC)c3)C2=O)nc1C 6844245 UCMSKOCOTFUWOP-MDWZMJQESA-N 401.444 3.149 10 40 HGCB O=C1/C(=C\c2cc3cc4c(cc3[nH]c2=O)OCO4)SC(=S)N1c1ccc(O)cc1 9419999 KFUORCBFVHKRAQ-REZTVBANSA-N 424.459 3.368 10 40 HGCB CCc1cc(CN2CCN(c3ncnc4c3cnn4C)CC2)c(O)c(C(C)(C)C)c1 40040174 CWSVIYIFOZVCGR-UHFFFAOYSA-N 408.550 3.251 10 40 HGCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OC(=O)CC 408537548 WESOHWGPIWSLAO-VBKFSLOCSA-N 422.437 3.376 10 40 HGCB COc1ccccc1N1C(=O)/C(=C/c2cc(Br)cs2)C(=O)NC1=S 409175473 ZMEJGDPHUMLNNF-YRNVUSSQSA-N 423.313 3.351 10 40 HGCB C[C@@H]1C[C@@H](C)CN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(C)C2=O)C1 4980848 VAXFLKLHGTWBSX-SICXBXQRSA-N 414.556 3.008 10 40 HGCB Cc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@@H](CC(C)C)C(=O)O)C2=O)cc1 5552897 RYKABPCNGSOLDC-KFXIKWRMSA-N 420.556 3.202 10 40 HGCB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(Br)ccc2O)C1=O 408893705 GWLFDXOJRYANBD-UVTDQMKNSA-N 415.243 3.384 10 40 HGCB O=C(CN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)N1CCCC1 1217942 RKTLOVVCVMQUQZ-UKTHLTGXSA-N 411.346 3.273 10 40 HGCB CCN(CC)c1ccc(N/C=C2\C(=O)NC(=S)N(C3CCCCC3)C2=O)cc1 6740813 BTNOXTXNXLYKFU-NBVRZTHBSA-N 400.548 3.405 10 40 HGCB Cn1c(=O)oc2cc(S(=O)(=O)Nc3nc(-c4ccccn4)cs3)c(Cl)cc21 9130762 CKQIYGNTULWABN-UHFFFAOYSA-N 422.875 3.104 10 40 HGCB COc1cc(N2CCCC2)c(OC)cc1/C=C1\NC(=O)N(Cc2ccccc2)C1=O 14009883 NCFVATYGEUZLGS-PDGQHHTCSA-N 407.470 3.397 10 40 HGCB Cc1ccnc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCO)c2C)c1 223584117 MLJLZKMJHWJJAF-LEWJYISDSA-N 407.543 3.157 10 40 HGCB Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C3/SC(=S)NC3=O)cc2)cc1 409203759 YRJRYWCNESBVLZ-MHWRWJLKSA-N 412.492 3.279 10 40 HGCB CN1CCCc2cc([C@H](CNC(=O)c3ccc(Br)o3)N(C)C)ccc21 23858355 VDVHODBHJRZURO-INIZCTEOSA-N 406.324 3.457 10 40 HGCB CC1CCN(c2ccc([C@@H](C)NC(=O)CCN3C(=O)[C@H]4CC=CC[C@H]4C3=O)cc2)CC1 219018786 ZIWBBZRTTCJSQD-QIJUGHKUSA-N 423.557 3.441 10 40 HGCB O=C(O)COc1ccccc1/C=C1\SC(=S)N(c2ccc([N+](=O)[O-])cc2)C1=O 409341323 BCTFSFGPCSWTHF-DHDCSXOGSA-N 416.436 3.464 10 40 HGCB O=C(NN1C(=O)/C(=C/c2cccnc2)SC1=S)c1ccc(OC(F)F)cc1 1255242 HKLYXNUEJOUKOQ-JYRVWZFOSA-N 407.423 3.229 10 40 HGCB COc1cc(/C=C2/C(=O)N(c3cccc(C(=O)O)c3)N=C2C)cc2sc(=O)oc12 4903475 GWORXKXVCOWVRK-MKMNVTDBSA-N 410.407 3.367 10 40 HGCB COc1ccc(NC2=NC(=O)/C(=C3/C(=O)N(C(C)=O)c4ccccc43)S2)c(OC)c1 8821911 YZPNYBMLIUVQHC-ZCXUNETKSA-N 423.450 3.050 10 40 HGCB COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1cc(Br)ccc1O 14414455 ZEDRTLKEUWYKRV-WJQTUHTMSA-N 422.275 3.006 10 40 HGCB NC(=O)c1cc(C2=NN=C(Nc3cccc(Br)c3)SC2)ccc1O 15453100 SHDRGZYOSMZBRW-UHFFFAOYSA-N 405.277 3.173 10 40 HGCB O=C1NC(=S)N(C2CC2)C(=O)/C1=C\NCCC(c1ccccc1)c1ccccc1 101064004 LLQOQBLAWNADDQ-HKWRFOASSA-N 405.523 3.088 10 40 HGCB Cc1cc(C(=O)Cn2nnc(-c3ccccc3)n2)c(C)n1-c1ccc2c(c1)OCCO2 2645337 ASDQYKXSPHOWBR-UHFFFAOYSA-N 415.453 3.402 10 40 HGCB COc1ccc(N(CCC(N)=O)CC(=O)N2CC[C@H](C)Sc3ccccc32)cc1 8705871 RYIQNYKUCABMHE-INIZCTEOSA-N 413.543 3.295 10 40 HGCB COc1ccc(/C=C2\SC(=S)N(C3=C[C@H]4OCO[C@H]4C=C3)C2=O)c(OC)c1 26771484 VYSZYEOJYFOORY-ZDPCMCPASA-N 403.481 3.100 10 40 HGCB Cc1cccc(OCCn2c(C)c(C=C3C(=O)NC(=S)NC3=O)c3ccccc32)c1 41077960 LUIHYVVVSGQOSF-UHFFFAOYSA-N 419.506 3.251 10 40 HGCB CCOC(=O)COc1ccccc1/C=C1/C(=O)N(c2ccc(F)cc2)C(=O)N=C1O 59135660 JLGWHYMVVKQSAH-LFIBNONCSA-N 412.373 3.274 10 40 HGCB CCN(CC)c1ccc(CNC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 223899895 NDJWIMIZFWMSNQ-KRWDZBQOSA-N 403.548 3.004 10 40 HGCB CCN(CC)c1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)cc3)C(=O)N=C2O)cc1 9016166 XAUFRZIFNABNKM-HMMYKYKNSA-N 406.486 3.470 10 40 HGCB O=C1c2c(O)ccc([N+](=O)[O-])c2C(=O)c2c(O)ccc(Nc3cccc(CO)c3)c21 35362670 JKKUOQZOESABJX-UHFFFAOYSA-N 406.350 3.017 10 40 HGCB C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(C(N)=S)cc3)cc2F)C[C@@H](C)O1 84713591 FQCLTEYFLKULCT-ZIAGYGMSSA-N 401.507 3.004 10 40 HGCB CC(=O)Nc1ccc(N/C=C2/C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1 102442242 YWAUYPJCEQGWFH-UVTDQMKNSA-N 414.874 3.042 10 40 HGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccccn4)c3C)C2=O)cc1 408961252 LTHYDIWBFVSVHV-CPNJWEJPSA-N 400.438 3.464 10 40 HGCB O=C1NC(=O)C(=Cc2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)C(=O)N1 409048814 UDZDKEYIDUHZBL-UHFFFAOYSA-N 409.200 3.461 10 40 HGCB Cc1c2c(cc(=O)n1Cc1ccccc1Cl)N[N@@H+](c1nc3ccccc3s1)C2=O 670416300 QQZTXTBSLPRXFJ-UHFFFAOYSA-O 423.905 3.165 10 40 HGCB COc1cc(/C=C2/SC(N3CCN(c4ccccc4F)CC3)=NC2=O)ccc1O 1267609 LOIXYIIMQYSTRU-CPNJWEJPSA-N 413.474 3.332 10 40 HGCB CN(C)c1ccc(C(NC(=O)Cc2ccccc2)NC(=O)Cc2ccccc2)cc1 2380210 XZLHEBHGANHBEG-UHFFFAOYSA-N 401.510 3.469 10 40 HGCB COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1ccc(OC)cc1 4736924 GKVROMJSSSOJOH-STZFKDTASA-N 409.442 3.356 10 40 HGCB CN1CCc2cc([C@@H](CNS(=O)(=O)c3ccc(F)cc3)N3CCCCC3)ccc21 8801572 VWOGCRXTQNFYLH-JOCHJYFZSA-N 417.550 3.324 10 40 HGCB COc1ccc(N2CCN(C3=NC(=O)/C(=C/c4ccccc4OC)S3)CC2)cc1 9188187 ISECSPOXVSBAKD-HKWRFOASSA-N 409.511 3.496 10 40 HGCB Cc1c([C@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)cnn1C 96114996 HRXQMRZWBAAKBP-CYBMUJFWSA-N 418.405 3.354 10 40 HGCB biogenic Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1cccc(Br)c1 408995267 LOVZYWRCBWFEJS-UHFFFAOYSA-N 416.275 3.290 10 40 HGCB Oc1ccc(C2=Nn3c(nnc3-c3ccc(Br)cc3)SC2)cc1O 4598310 VPLDNUZIEJYAHM-UHFFFAOYSA-N 403.261 3.477 10 40 HGCB COc1ccc2cc(/C=C3\SC(=S)N(CCCC(=O)O)C3=O)c(O)nc2c1 6660414 PDVMVRMQRJBQNE-ZSOIEALJSA-N 404.469 3.015 10 40 HGCB CN1CCc2cc([C@@H](CNS(=O)(=O)c3ccc(Cl)cc3)N3CCCC3)ccc21 8801000 IBFXVIBSEPSBEF-OAQYLSRUSA-N 419.978 3.448 10 40 HGCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl 408945528 WPSWAXVEYDRMMM-NTEUORMPSA-N 415.789 3.313 10 40 HGCB CCOC(=O)COc1ccccc1/C=C1\SC(=S)N(C[C@@H]2CCCO2)C1=O 409083277 SFWADKMLXFNEDT-FBKCMUNRSA-N 407.513 3.009 10 40 HGCB CN1C(=O)/C(=C\c2cn(CC(=O)NC[C@@H]3CCCO3)c3ccccc23)c2ccccc21 1441139 BVMAPZJRQOBJPZ-PKIWBCANSA-N 415.493 3.454 10 40 HGCB COc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccccc4O)[C@@H]3C2=O)cc1 4906924 YSVKRYZWYMEBMB-BDTNDASRSA-N 416.433 3.452 10 40 HGCB O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1cccc2nonc12 5350195 NQRRMTYXZYRIPH-PTNGSMBKSA-N 410.480 3.453 10 40 HGCB COc1ccc(/C=C2\SC(=S)N(CC(=O)NC3CCCCC3)C2=O)cc1OC 6147559 MZUPQASTUNGATR-BOPFTXTBSA-N 420.556 3.354 10 40 HGCB CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)Nc1cc(C)on1 6589127 DDXLZKNNJZIUSS-UHFFFAOYSA-N 400.460 3.368 10 40 HGCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 100570880 HBQDRKOBITVCSL-MHWRWJLKSA-N 410.390 3.343 10 40 HGCB Cc1cc(C)n(Cc2ccc(C(=O)NCc3ccc(N4CCOCC4)cc3)cc2)n1 141032020 AFEDXTXIQFIULG-UHFFFAOYSA-N 404.514 3.315 10 40 HGCB CCN(CC)c1ccc(CNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 223241481 PKCUQEYDRANPFA-UHFFFAOYSA-N 415.559 3.247 10 40 HGCB CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 223672544 SPBSMWLILWJQNQ-UHFFFAOYSA-N 415.492 3.122 10 40 HGCB O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(-c2ccccc2)o1 409190046 VGIPUUQDIBLCIP-SFQUDFHCSA-N 418.430 3.476 10 40 HGCB Cn1cccc1/C=C1/SC(=S)N(NC(=O)c2ccc(Br)cc2)C1=O 2415556 APKAIQCYLODIEF-UKTHLTGXSA-N 422.329 3.334 10 40 HGCB Cc1ccc(NC(=O)N/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)c1 408532458 MUKZZYZOYOZUCZ-GZTJUZNOSA-N 406.442 3.209 10 40 HGCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(Cl)c1OC 408813401 NVSMADGEPAYUHD-RIYZIHGNSA-N 400.818 3.332 10 40 HGCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\C(=N)N3N=CSC3=NC2=O)c1C 9244752 NDBHIFWZUJRCKC-OFDXHZIVSA-N 424.442 3.260 10 40 HGCB Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C/Nc2ccc(F)cc2)C1=O 16282420 JHPNCVKALMLAPL-ZROIWOOFSA-N 418.222 3.475 10 40 HGCB Cc1cccn2c(=O)c(/C=C3\SC(=S)NC3=O)c(N(C)Cc3ccccc3)nc12 16713624 PAIRFLGMCCOYDZ-WJDWOHSUSA-N 422.535 3.128 10 40 HGCB CN1CCN(Cc2c(O)ccc3c(-c4cc5ccccc5oc4=O)cc(=O)oc23)CC1 20605023 OCCOMEQHDOXWES-UHFFFAOYSA-N 418.449 3.019 10 40 HGCB biogenic Cc1nnc(NC(=O)CN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)s1 5370819 GNHVMBNSQLWGIU-GKPGWJKISA-N 402.526 3.243 10 40 HGCB COc1ccc(CN2CCC(c3cc(C(F)(F)F)n4ncnc4n3)CC2)c(O)c1 12328193 SWTSYGPIIZWPRT-UHFFFAOYSA-N 407.396 3.237 10 40 HGCB CN1C(=O)C(=Cc2cn(Cc3cnc(Cl)s3)c3ccccc23)C(=O)N(C)C1=O 1399324 DDEIVUPTIHKACO-UHFFFAOYSA-N 414.874 3.233 10 40 HGCB CC(C)(C)C(=O)N1N=C(c2ccccc2NS(C)(=O)=O)C[C@@H]1c1ccccc1O 9378564 UOXLGQIFETZMQE-GOSISDBHSA-N 415.515 3.488 10 40 HGCB O=C1[C@H]2[C@@H](c3ccccc3O)N(c3ccccc3)O[C@H]2C(=O)N1Cc1ccccc1 102760389 HZUINGSLGSOXRQ-BHDDXSALSA-N 400.434 3.439 10 40 HGCB COC(=O)COc1ccc(/C=C2\C(=O)N(c3ccccc3)C(C)=C2C(=O)OC)cc1 408782139 WDYVSDKPIXITFS-UYRXBGFRSA-N 407.422 3.116 10 40 HGCB CCCN1C(=O)/C(=C\c2ccccc2OCc2ccc(C(=O)O)cc2)C(=O)N(C)C1=O 575443021 MHBBAMXDNQMUMA-AQTBWJFISA-N 422.437 3.178 10 40 HGCB CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H]1N=[N+]=[N-] 4565576 IDUMJVMUHFWUKL-UQOPEDAQSA-N 424.457 3.226 10 40 HGCB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccc2nccnc2c1 13682015 OSRQSGPQQCSQRU-LFIBNONCSA-N 410.480 3.453 10 40 HGCB CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H]1N=[N+]=[N-] 4565573 IDUMJVMUHFWUKL-CIQOUTPZSA-N 424.457 3.226 10 40 HGCB COc1ccc(Nc2cc(N(C)CCO)c(N)c3c2C(=O)c2ccccc2C3=O)cc1 5483364 NIQQZPGWSDZNEH-UHFFFAOYSA-N 417.465 3.225 10 40 HGCB COc1ccc(/C=C2/SC(=S)N([C@H]3CC(=O)N(c4ccccc4)C3=O)C2=O)cc1 34846409 GLFJCAHYRICIAR-KTZOAPACSA-N 424.503 3.229 10 40 HGCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Cl)c1O 35177774 MDQJIWACRLJGTO-XFFZJAGNSA-N 423.650 3.278 10 40 HGCB COc1ccc(N2CCN(C(=O)c3n[nH]nc3Nc3ccc(Cl)cc3)CC2)cc1 67284328 YZGFDYWZFRARRL-UHFFFAOYSA-N 412.881 3.173 10 40 HGCB Cn1nccc1[C@H]1CC(=O)Oc2c(O)c(O)c3c(=O)cc(-c4ccccc4)oc3c21 96114384 WVDWHQWISUOYIC-GFCCVEGCSA-N 404.378 3.046 10 40 HGCB biogenic Cc1cc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)c(C)n1-c1ccccc1 3249516 ZBQVFJSHBUJDCG-UHFFFAOYSA-N 404.422 3.465 10 40 HGCB CSc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1[N+](=O)[O-] 12555293 GAACOOZJACFGHY-UHFFFAOYSA-N 401.488 3.426 10 40 HGCB O=C(NCCc1ccc(Cl)cc1)C1=C2CCCN2c2ccccc2S1(=O)=O 67245870 SAMUCPUMHHUJSZ-UHFFFAOYSA-N 402.903 3.298 10 40 HGCB COc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3nccs3)C2=O)cc1 1908874 AWKXNZWAVCCKPM-JLHYYAGUSA-N 405.526 3.382 10 40 HGCB COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/C(=O)NC(=S)N(C)C2=O)c1C 4711420 VSQFTVFFRDOCLJ-ZSOIEALJSA-N 403.891 3.013 10 40 HGCB Cc1ccc(/C=C2/SC(=S)N(CCC(=O)NCCCCCC(=O)O)C2=O)cc1 5552883 LMNDFKVXFBCSJJ-DTQAZKPQSA-N 420.556 3.348 10 40 HGCB COc1ccc(CCN2C(=O)N=C(O)/C(=C/Nc3cccc(F)c3)C2=O)cc1OC 103120701 BSGLLMVMGIXAJN-VBKFSLOCSA-N 413.405 3.300 10 40 HGCB O=C1NC(=S)NC(=O)C1=Cc1c(OCc2ccccc2F)ccc2ccccc12 408887649 SDHPWWNDOQIOAR-UHFFFAOYSA-N 406.438 3.472 10 40 HGCB COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCc1ccccc1C 685063 LNQWRSWODKEECL-UHFFFAOYSA-N 416.886 3.150 10 40 HGCB Cc1cc(C(=O)COC(=O)c2ccc([N+](=O)[O-])o2)c(C)n1-c1ccc2c(c1)OCO2 2636472 HPRFZTBLPMUQES-UHFFFAOYSA-N 412.354 3.364 10 40 HGCB Oc1ccccc1CN1CCC[C@H]1c1nc(-c2ccc(N3CCOCC3)nc2)no1 35425311 YQNIQAYERYETNU-SFHVURJKSA-N 407.474 3.011 10 40 HGCB biogenic,in-vitro N=C1/C(=C/c2cccnc2)C(=O)N=C2SC(SCCOc3ccccc3)=NN12 41108455 UUFDBFDRXIJPOG-GQECEEOXSA-N 409.496 3.470 10 40 HGCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cccn1-c1ccccc1F 408955311 WVZLYKOKHDGJHD-XNTDXEJSSA-N 419.368 3.012 10 40 HGCB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)C[C@H]2Oc3ccccc3NC2=O)cc1 7780204 QNZFSLQSKAYVFU-DENIHFKCSA-N 423.513 3.050 10 40 HGCB COc1cccc(Oc2c(C)oc3c(CN4CCN(C)CC4)c(O)ccc3c2=O)c1 19361186 YTUAMGOFABOYMX-UHFFFAOYSA-N 410.470 3.355 10 40 HGCB biogenic O=C1NC(=S)NC(=O)C1=Cc1ccccc1OCc1ccc(Cl)cc1Cl 1059876 MVEGLUKSGMQTHL-UHFFFAOYSA-N 407.278 3.487 10 40 HGCB Cc1ccc(C)c(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)c1 8964194 UIIIKFBGTCUHAL-HSZRJFAPSA-N 420.557 3.188 10 40 HGCB CCOC(=O)c1c[nH]nc1N/C(C)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C 100109693 RTVUULPELMRUGM-GDNBJRDFSA-N 410.459 3.305 10 40 HGCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(Cl)c1O 408885911 GQWNFQFOFROGIV-RIYZIHGNSA-N 400.818 3.419 10 40 HGCB COc1ccc2c3c(n(C[C@H](O)COC(C)C)c(=O)c2c1OC)-c1ccccc1C3=O 604403883 BWFJEQSVBBBUME-AWEZNQCLSA-N 423.465 3.016 10 40 HGCB biogenic COc1ccc(N2CCN(C(=O)c3cc(OC)ccc3Br)CC2)cc1 2639425 PMABMIQSSODGHH-UHFFFAOYSA-N 405.292 3.429 10 40 HGCB CCCCNC(=O)CCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 32708025 FMPJZXPNILKVQV-LFIBNONCSA-N 406.529 3.313 10 40 HGCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc(Cl)c1O 408891761 UXJDZKHNWBBORP-NTUHNPAUSA-N 400.818 3.337 10 40 HGCB Cc1ccc(CNC(=O)CN2C(=O)S/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1 409200677 JQQDGVDBNVTELC-UNOMPAQXSA-N 409.511 3.414 10 40 HGCB O=C(COC(=O)Cc1ccsc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 6423904 FXJKWSBPEYXOJN-UHFFFAOYSA-N 405.431 3.248 10 40 HGCB O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1CC(=O)N1CCCC[C@@H]1CCO 9348516 ZLNLRRVMHSYXTG-HIMHPUCUSA-N 416.568 3.208 10 40 HGCB CC(=O)Nc1ccc(/C=C2\SC(N3CCN(c4ccccc4)CC3)=NC2=O)cc1 13569994 PNUHCMTUFMTRIA-HKWRFOASSA-N 406.511 3.438 10 40 HGCB CC(C)COc1ccc(-c2nc3s/c(=C/c4ccc(N(C)C)cc4)c(=O)n3n2)cc1 16728841 IFHYWNSQCYMRRV-DEDYPNTBSA-N 420.538 3.467 10 40 HGCB CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)sc2c1CC[C@@H](CC)C2 100684700 BKKVYXBZSGFURC-ZMPPFODHSA-N 421.515 3.256 10 40 HGCB CCN(CC)c1ccc(CNC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 224498964 BSBRGUCWWDBBDU-GOSISDBHSA-N 417.575 3.312 10 40 HGCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCc1ccccc1F 1174916 ABGFAHVDZSYXLF-UHFFFAOYSA-N 418.808 3.206 10 40 HGCB COc1cccc(/C=C2\SC(N3CCN(c4ccc(F)cc4)CC3)=NC2=O)c1O 9189277 BUACHHURKAEFMI-AQTBWJFISA-N 413.474 3.332 10 40 HGCB CN1C(=O)/C(=C\c2ccc(C(=O)Nc3ccc(O)cc3C(=O)O)cc2)SC1=S 10381685 UXOBGYANDXUOGZ-OVCLIPMQSA-N 414.464 3.174 10 40 HGCB C[C@H]1CCc2cc(F)ccc2N1/C=C1/C(=O)NC(=S)N(c2ccccc2F)C1=O 98086683 FZLWCGQKBROQCQ-CMHHUMAZSA-N 413.449 3.438 10 40 HGCB CCn1c(=O)sc2cc(S(=O)(=O)NCc3ccc(N4CCCC4)cc3)ccc21 225692657 UKDMBVHASLKWFL-UHFFFAOYSA-N 417.556 3.162 10 40 HGCB Cc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N(C)C)cc1C 8798842 GGRCAKIKMQRAEL-QFIPXVFZSA-N 401.576 3.267 10 40 HGCB COc1ccc(/C=C2\SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)cc1OC 13811006 XGYTYYKTOUXAKA-QNGOZBTKSA-N 423.538 3.492 10 40 HGCB O=C1/C(=C/c2ccc(-c3ccc(F)cc3)o2)SC(=S)N1CCS(=O)(=O)O 27019346 IMJOUYVSUVPUMG-ZROIWOOFSA-N 413.473 3.175 10 40 HGCB O=C(O)c1ccc(N2C(=O)/C(=C/c3ccc4nccnc4c3)SC2=S)cc1O 54361142 PKCWSLFGSNDVKN-PXNMLYILSA-N 409.448 3.439 10 40 HGCB COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] 408532257 TVYSTKMSUNWEOC-ATVHPVEESA-N 422.393 3.259 10 40 HGCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(C[C@@H]4CCCO4)c3C)C(=O)NC2=S)cc1 409197821 PNOASRONZPSVIM-GUBFPNNNSA-N 423.538 3.424 10 40 HGCB C[C@H](C(=O)N1CCCC[C@H]1CCO)N1C(=O)/C(=C/c2cccc(F)c2)SC1=S 9302974 AQHCKWRJQBUCRM-RQUCNENLSA-N 422.547 3.179 10 40 HGCB O=C(NN1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S)c1cccc(O)c1 16929671 JZRWUIGTRJFHKS-MFOYZWKCSA-N 410.476 3.257 10 40 HGCB Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3cccs3)C2=O)c(C)n1C[C@H]1CCCO1 409198579 CEXOXIJVBMTQPI-VHWUNXFSSA-N 413.499 3.007 10 40 HGCB CN1CCN(c2cc(NCc3ccco3)c3c(c2N)C(=O)c2ccccc2C3=O)CC1 6662619 QRUJGFANUUNYTP-UHFFFAOYSA-N 416.481 3.001 10 40 HGCB CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Cl)c1OCC(=O)O 6891423 WZFNPXJLVBMBQE-GHXNOFRVSA-N 401.893 3.423 10 40 HGCB CN(C)c1ccc([C@H](c2nnnn2C(C)(C)C)N2CCN(c3ccccc3)CC2)cc1 20139418 YTFVEVHYZKXMHK-JOCHJYFZSA-N 419.577 3.406 10 40 HGCB COc1cc(/C=C2/C(=O)NC(=S)N=C2O)ccc1OC(=O)c1ccc(Cl)cc1 58823415 GBCBJXIJBTUONL-UHFFFAOYSA-N 416.842 3.322 10 40 HGCB CCCNC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)C1=O 409209315 IWNSVJDYSPYTIT-YBEGLDIGSA-N 414.439 3.207 10 40 HGCB CCN1C(=O)NC(=O)/C(=C\c2ccc(-c3ccc(Br)c(C)c3)o2)C1=O 59109634 ABWVMEHESIRKDZ-UKTHLTGXSA-N 403.232 3.499 10 40 HGCB COc1ccc(CN2C(=O)N=C(O)/C(=C/Nc3ccc(NC(C)=O)cc3)C2=O)cc1 102694330 CPAGMLYOCYWFRW-WQRHYEAKSA-N 408.414 3.068 10 40 HGCB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1Br 108507612 GBTCRDWOLUCKTE-WDZFZDKYSA-N 402.291 3.134 10 40 HGCB O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)ccc1OCc1cccc(Cl)c1 408811308 BEFAJEQRIORFIZ-UHFFFAOYSA-N 407.278 3.487 10 40 HGCB O=C(CS(=O)(=O)c1ccc(F)cc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 9630091 MOTKSWFFVVTWBP-UHFFFAOYSA-N 423.421 3.014 10 40 HGCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccc(OC)c(Cl)c3)C2=O)cc1 17198391 NIHKLCXMNKGCOQ-RVDMUPIBSA-N 415.833 3.326 10 40 HGCB CCN(CC)c1ccc(/C=c2/s/c(=C\C(=O)c3ccc(Cl)cc3)[nH]c2=O)cc1 102242650 CVTMGRJDZJPMBC-NAWSQEDCSA-N 412.942 3.428 10 40 HGCB O=C(O)CN1C(=O)/C(=C/c2ccc(OC(=O)c3ccc(F)cc3)cc2)SC1=S 2917183 JQHZZNDSOFKVNC-DHDCSXOGSA-N 417.439 3.331 10 40 HGCB Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCC2)c(C)c1 4330646 NZUFZEKIJKUPCB-JOCHJYFZSA-N 408.546 3.261 10 40 HGCB COc1ccc(Cl)cc1-n1c(C)cc(C(=O)OCC(=O)NC[C@H]2CCCO2)c1C 5694634 OVEVUGVYXMEOJI-MRXNPFEDSA-N 420.893 3.208 10 40 HGCB COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 6202299 OPPPTJWDYKOKFW-BOPFTXTBSA-N 409.354 3.380 10 40 HGCB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(N(C)C)cc2)NC(SCC(=O)O)=N1 408994016 YBNWQJCAQGDUHR-HXUWFJFHSA-N 424.526 3.483 10 40 HGCB Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCC2)c1C 4330588 GJNCKXLODBAPCP-JOCHJYFZSA-N 408.546 3.261 10 40 HGCB O=c1cc(-c2cc3ccccc3oc2=O)c2ccc(O)c(CN3CCOCC3)c2o1 20412392 UZHHMQJLLLXPIO-UHFFFAOYSA-N 405.406 3.104 10 40 HGCB biogenic O=C(NCc1ccc(N2CCOCC2)cc1)c1cccc(I)c1 65420504 YSYRPDGXAITNJG-UHFFFAOYSA-N 422.266 3.058 10 40 HGCB Cc1cc2c(cc1S(=O)(=O)Nc1nc(-c3ccccc3)cs1)oc(=O)n2C 223340696 RYVJRHXVUYANBK-UHFFFAOYSA-N 401.469 3.364 10 40 HGCB CCOc1cc(/C=C2/SC(=S)N([C@H](CCSC)C(=O)O)C2=O)ccc1O 1786480 WBPHXDQRAIJKJY-ZECSTPGPSA-N 413.542 3.198 10 40 HGCB CCN1CCN(Cc2c(O)ccc3c(=O)c(Oc4ccc(OC)cc4)coc23)CC1 20393925 QVVWKZPECLBDAN-UHFFFAOYSA-N 410.470 3.437 10 40 HGCB biogenic CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OC(C)=O 33720439 ADBFUPKAGWPSFK-DHDCSXOGSA-N 400.818 3.125 10 40 HGCB COc1ccc(N2CCN(C(=O)c3cc4c(OC)ccc(OC)c4n3C)CC2)cc1 72402444 DGOSRUFDPJIORV-UHFFFAOYSA-N 409.486 3.167 10 40 HGCB COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCO)c2C)cc1 223578952 YYRSFCMNPXIQQE-VXKWHMMOSA-N 422.554 3.463 10 40 HGCB Cc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c(C)n1-c1ccccc1Br 408917592 XZKWKECFXDIVRI-UKTHLTGXSA-N 418.316 3.113 10 40 HGCB Cc1cc(C)cc(C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)c1 16838302 CRKDSWJTIWXJHZ-XMMPIXPASA-N 407.558 3.489 10 40 HGCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\Nc1ccc(F)cc1 100720483 WBFUWUXVIMDQIV-ZROIWOOFSA-N 404.195 3.167 10 40 HGCB O=C1/C(=C/c2cccs2)SC(=S)N1CCC(=O)N(CCO)c1ccccc1 1218736 MTIYTSAQGVDNKL-SSZFMOIBSA-N 418.565 3.365 10 40 HGCB COc1ccc(/C=C2/SC(=S)N(NC(=O)Cc3ccccc3)C2=O)cc1OC 1263083 BQWQZYSAJNBQKZ-GZTJUZNOSA-N 414.508 3.179 10 40 HGCB COc1ccc(/C=C2\SC(=S)N(NC(=O)Cc3ccccc3)C2=O)c(OC)c1 5551809 NZDKFHXGYQYINW-BOPFTXTBSA-N 414.508 3.179 10 40 HGCB O=C1N=C(O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1nc2ccccc2[nH]1 13774465 OSNKFTUPLJIFQL-XFXZXTDPSA-N 411.215 3.196 10 40 HGCB CCN(CC)c1ccc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cc1Br 16678655 QKZKZMDDXHWBCS-SOFGYWHQSA-N 409.240 3.163 10 40 HGCB CN1CCN([C@@H](CNC(=O)c2ccccc2Cl)c2ccc3c(c2)CCN3C)CC1 22733735 IZTMWYURSRRJIJ-QFIPXVFZSA-N 412.965 3.051 10 40 HGCB COc1ccc(/C=C2\SC(=S)N(CCCC(=O)N3CCCC3)C2=O)cc1OC 5376037 IOQSWIFWIOGWQM-LGMDPLHJSA-N 420.556 3.308 10 40 HGCB CN1C(=O)C(=Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C(=O)N(C)C1=O 12916551 DQFHOTXPNUOBCL-UHFFFAOYSA-N 400.438 3.032 10 40 HGCB COC(=O)c1ccc(C(=O)OC)c(N/C(C)=C2\C(=O)N(c3ccccc3)N=C2C)c1 112127559 YTTGAUDUHJGVEQ-UYRXBGFRSA-N 407.426 3.368 10 40 HGCB O=C(O)CNC(=O)c1ccc(-n2c3c(c4ccccc4c2=O)C(=O)c2ccccc2-3)cc1 604405520 PFCCJCNQRABERB-UHFFFAOYSA-N 424.412 3.017 10 40 HGCB biogenic COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc2c(c1)OCO2 8872614 RFIYMBAIHGQYKI-SXGWCWSVSA-N 423.421 3.310 10 40 HGCB COC(=O)c1[nH]c2ccc(F)cc2c1/C=C1/SC(=S)N(CCCC(=O)O)C1=O 13687725 IQVAMPZLTVLXEF-MDWZMJQESA-N 422.459 3.160 10 40 HGCB O=S(=O)(O)c1cc(S(=O)(=O)O)c2c(/N=N\c3ccccc3)c(O)ccc2c1 100078858 MPVDXIMFBOLMNW-ZCXUNETKSA-N 408.413 3.454 10 40 HGCB CCOC(=O)c1sc(N2N=C(C)[C@@H](/N=N/c3ccccc3C(=O)O)C2=O)nc1C 100552297 DHISGQHHFXNNDK-NOFRPNMFSA-N 415.431 3.201 10 40 HGCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)cc(Cl)c3O)C2=O)cc1 409047150 NAVUYLJJQVLKHL-NTUHNPAUSA-N 407.209 3.374 10 40 HGCB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)o1 2931737 CNOQNNWXFUHCRX-VGOFMYFVSA-N 404.425 3.449 10 40 HGCB COc1cc(/C=C2/SC(=S)NC2=O)ccc1OCc1ccc(C(=O)O)cc1 4503513 ZGECIUVJADIBAS-CXUHLZMHSA-N 401.465 3.461 10 40 HGCB O=C(CN1C(=O)/C(=C/c2cccs2)SC1=S)NCCc1ccc(O)cc1 5347790 HSCIYULXEWUNKB-GDNBJRDFSA-N 404.538 3.014 10 40 HGCB COc1cc(/C=C2\SC(=S)N([C@H](CC(C)C)C(=O)O)C2=O)cc(OC)c1O 5371998 JCQVTBHMRBEVMZ-ZEVOCZHWSA-N 411.501 3.110 10 40 HGCB O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/NC1CCCCCC1 20477985 CZVGGCRCHQBNJL-RVDMUPIBSA-N 422.348 3.393 10 40 HGCB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OC(=O)c1cccs1 41078425 KOZDNEAJWZOLLD-QUSDIPOHSA-N 409.423 3.426 10 40 HGCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)c(OC)c1 408813373 MZENOYACUCKDJZ-OVCLIPMQSA-N 400.818 3.332 10 40 HGCB COC(=O)c1ccc(/C=C2\SC(=S)N(c3ccc(O)c(C(=O)O)c3)C2=O)cc1 8753601 ZSDAFWXYRGKVDO-NVNXTCNLSA-N 415.448 3.283 10 40 HGCB Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3nnc(C)s3)C2=O)cc1 13576684 NLENWPNJDZBJNC-LCYFTJDESA-N 404.542 3.385 10 40 HGCB O=C(NN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)c1ccc([N+](=O)[O-])cc1 13597286 CNCJHIBOJMQBOQ-ZROIWOOFSA-N 403.416 3.280 10 40 HGCB NC(=S)N1N=C(c2ccc([N+](=O)[O-])cc2)[C@H](/N=N/c2ccccc2Cl)C1=O 102067779 SRQTVNVFHFTYLB-YISVQYQQSA-N 402.823 3.191 10 40 HGCB CCN(CC)c1ccc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1 223593899 NALYMDGGDRAVMI-UHFFFAOYSA-N 409.939 3.488 10 40 HGCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)ccc1O 409245314 QSIAYXZUXNRGJD-FMIVXFBMSA-N 402.859 3.276 10 40 HGCB CCOc1cc(Br)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC 409405398 GXSVNSFMXQNTID-ZROIWOOFSA-N 417.259 3.318 10 40 HGCB COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCCc1cccs1 17082186 UEQWZNPOWQOITG-UYRXBGFRSA-N 401.463 3.259 10 40 HGCB O=C(CN1C(=O)/C(=C\c2ccccc2F)SC1=S)NCCc1ccc(O)cc1 33589743 HGHHEVZXYJNVEU-GZTJUZNOSA-N 416.499 3.091 10 40 HGCB CNS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)c1 225413604 TYGITGFERFBZFD-MRXNPFEDSA-N 401.532 3.076 10 40 HGCB O=C(O)CN1C(=O)/C(=C\c2cc(Cl)cc(Br)c2O)SC1=S 13550583 CJGNXYFCXBEPDQ-KRXBUXKQSA-N 408.682 3.094 10 40 HGCB COc1ccc(N2CCN(C(=O)c3ccc(OC)c(Cl)c3)CC2)c([N+](=O)[O-])c1 33775815 YHWQDSUZXTVPPX-UHFFFAOYSA-N 405.838 3.228 10 40 HGCB CNS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 225413435 OVRWGJXNSIAVRC-QGZVFWFLSA-N 415.559 3.322 10 40 HGCB CC(C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Cl 408815316 PZXHSDUWTXNSLE-OQLLNIDSSA-N 400.818 3.499 10 40 HGCB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccccc1[N+](=O)[O-] 5376071 OQURYIATFOYPFO-GXDHUFHOSA-N 403.441 3.418 10 40 HGCB Cc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1 8801593 YVPJDYVLUITWGM-HSZRJFAPSA-N 413.587 3.493 10 40 HGCB CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccccc3F)N3CCCCC3)ccc21 13007983 XLFHRRAGIQQMED-QFIPXVFZSA-N 424.520 3.100 10 40 HGCB O=S(=O)(c1ccccc1NCc1ccc(N2CCOCC2)cc1)C(F)(F)F 53583187 SMIJFHWLPVLIST-UHFFFAOYSA-N 400.422 3.429 10 40 HGCB CCOc1ccc(C(=O)O)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2C)C1=O 408823146 CXYOUDWMIAXOEZ-LFIBNONCSA-N 408.410 3.067 10 40 HGCB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/C=C/c3ccc(N(C)C)cc3)C2=O)c1 409095001 ATZQTYJCNIJLNE-WTYNHFEKSA-N 404.470 3.149 10 40 HGCB COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(F)cc3)C2=O)ccc1O 13688041 SFKOBNWGUMBALQ-DHDCSXOGSA-N 404.444 3.086 10 40 HGCB COCCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)Nc1cc(C)on1 4102939 LENCBPUYDZMHHU-UHFFFAOYSA-N 402.476 3.232 10 40 HGCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3coc4ccc(Cl)cc4c3=O)C2=O)cc1 9318282 PMSKFILYJOQJIJ-LZYBPNLTSA-N 424.796 3.121 10 40 HGCB CCOc1ccc(/C=C2\SC(=S)N(CCCN3CCOCC3)C2=O)cc1OC 13788416 MCZTVBSWZUUBJI-JXAWBTAJSA-N 422.572 3.017 10 40 HGCB CN(C)c1ccc([C@@H](c2nnnn2C(C)(C)C)N2CCN(c3ccccc3)CC2)cc1 20139421 YTFVEVHYZKXMHK-QFIPXVFZSA-N 419.577 3.406 10 40 HGCB COc1ccc(-c2noc(CN3CCN(Cc4cc(C)c(C)cc4O)CC3)n2)cc1 23269858 AMXNZLPPTPDKHZ-UHFFFAOYSA-N 408.502 3.385 10 40 HGCB COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccc(C(=O)O)cc1 33880391 MTRWSVCKDCGPQY-BOPFTXTBSA-N 408.366 3.170 10 40 HGCB COc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 4703297 YXNIDPZRRAGWBX-XSFVSMFZSA-N 401.422 3.461 10 40 HGCB CCN(CC)CCNC=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O 19996659 QTRCZBCJEWHNMQ-UHFFFAOYSA-N 422.554 3.167 10 40 HGCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)SC2=S)cc1 107980285 DPVIDEYSZCOPHH-XNTDXEJSSA-N 415.452 3.150 10 40 HGCB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C/c3ccc(O)c(Br)c3)C2=O)c1 575443038 QCZOVCXKOIADAF-JYRVWZFOSA-N 415.243 3.438 10 40 HGCB COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)NC[C@H]2CCCO2)cc1 4736941 DCIGWWCMBOVBQA-NCJDQSJGSA-N 421.497 3.497 10 40 HGCB O=C(COC(=O)COc1ccccc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 4947430 JHSFLMLDRDKUJS-UHFFFAOYSA-N 415.401 3.023 10 40 HGCB COc1cccc(CN2CCC(c3ncc(Cl)cc3S(C)(=O)=O)CC2)c1O 12186944 FJASHEMPOLAXEY-UHFFFAOYSA-N 410.923 3.232 10 40 HGCB O=C1N=C(O)/C(=C/c2ccc(O)c(Br)c2)C(=O)N1c1ccc(O)cc1 34234828 FOARFFYUNLVJIT-GHXNOFRVSA-N 403.188 3.367 10 40 HGCB CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cccc(O)c3)C(C(=O)OC)=C2C)cc1 409022918 ICNRYPHWSFHVAC-UYRXBGFRSA-N 407.422 3.446 10 40 HGCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\C=C\c2ccccc2[N+](=O)[O-])C1=O 409245172 OMAJRQGSMZMJFS-VYPLWORKSA-N 407.382 3.216 10 40 HGCB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccc(O)c(O)c3)[C@@H]2C(=O)N1Cc1ccccc1 13787570 VWXGOXBOHRFSEE-FKBYEOEOSA-N 416.433 3.145 10 40 HGCB COc1ccc(N2CCN([C@@H](c3ccccc3)c3nnnn3C(C)(C)C)CC2)cc1 20139235 RWTMIMOBLIBHLD-NRFANRHFSA-N 406.534 3.348 10 40 HGCB O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C/c1ccc2c(c1)OCO2 35648159 ZBUKFVYJAOXFCP-XDHOZWIPSA-N 411.458 3.347 10 40 HGCB COc1ccc(/C=C2\SC(=S)N(CCC(=O)N3CCCCC3)C2=O)cc1OC 5375966 AJLFFTRMGLUUJI-LGMDPLHJSA-N 420.556 3.308 10 40 HGCB C[C@@H](c1ccccc1)N1C[C@H](C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CC1=O 9379518 CFJOXRMBCFWGCD-SIKLNZKXSA-N 421.541 3.091 10 40 HGCB COc1ccc(N2CCN(c3nc4sc5c(c4c(=O)n3C)CCCC5)CC2)cc1 13686838 GUQORLRSBQBFOR-UHFFFAOYSA-N 410.543 3.209 10 40 HGCB O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(F)cc1 15012288 GXLYVSZTOVKCLU-ZROIWOOFSA-N 405.248 3.420 10 40 HGCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccccc1Oc1ccc([N+](=O)[O-])cn1 35362249 GPCSYZDIYUCITP-ATVHPVEESA-N 402.366 3.244 10 40 HGCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1cc(Br)cc([N+](=O)[O-])c1O 58856236 WIZRFVOWIDGUMK-UHFFFAOYSA-N 412.192 3.207 10 40 HGCB Cc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c(C)n1-c1cccc(Br)c1 408914491 QANMYHILLXDNMY-OVCLIPMQSA-N 418.316 3.113 10 40 HGCB N=C1/C(=C\c2ccc(Br)o2)C(=O)N=C2SC(c3cccnc3)=NN12 5186739 JRVJUCWEVQGBQE-PYJFJABNSA-N 402.233 3.105 10 40 HGCB COc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3nnc(C)s3)C2=O)cc1 17045154 NIGYUCIBCOTXNI-LCYFTJDESA-N 420.541 3.085 10 40 HGCB CCc1ccc(NC2=NC(=O)/C(=C3/C(=O)N(CC(=O)O)c4ccccc43)S2)cc1 20227088 BDZSMQQULCIHFI-ZCXUNETKSA-N 407.451 3.133 10 40 HGCB COc1ccc(N2CCN(C[C@@H](O)COC34CC5CC(CC(C5)C3)C4)CC2)cc1 23114557 PZUSFRIBRFPPFL-GPUVRGFBSA-N 400.563 3.164 10 40 HGCB COc1cc(/N=c2\scc(-c3ccc(O)c(O)c3O)n2C)cc(OC)c1OC 101721917 JQTGDAMMCXNJTJ-VXPUYCOJSA-N 404.444 3.129 10 40 HGCB C[C@H]1CCC[C@@H](NC(=O)c2ccc3c(c2NCCO)C(=O)c2ccccc2C3=O)[C@H]1C 102684730 ZBMXUUQVKKVKFH-AUSJPIAWSA-N 420.509 3.421 10 40 HGCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OC 409405393 GWRCGWWBXVTPAT-ZROIWOOFSA-N 417.259 3.318 10 40 HGCB CC[C@H]1CCCCN1C(=O)c1ccc2c(c1NCCO)C(=O)c1ccccc1C2=O 4811682 PCKSFDXMYJYWQJ-HNNXBMFYSA-N 406.482 3.271 10 40 HGCB Cc1cc(CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])c(C)n1-c1ccccc1 9154241 NBOOYCUFCNSTAL-UHFFFAOYSA-N 414.487 3.304 10 40 HGCB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ccc(C(=O)OC)cc1 9304357 NSXLZDGQXTVHIT-ZHZULCJRSA-N 407.426 3.125 10 40 HGCB N=C1/C(=C\c2cc(Br)ccc2O)C(=O)N=C2SC(C(F)(F)F)=NN12 12436628 SWSUORRFDDYICL-VRSGUTFOSA-N 419.182 3.336 10 40 HGCB COc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3cc(C)on3)C2=O)cc1 33330322 GUWUUVORCDRUFX-GXDHUFHOSA-N 403.485 3.222 10 40 HGCB Cc1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(C(=O)O)cc1 409206480 OUCHPCOVJWQNCR-UNOMPAQXSA-N 421.453 3.197 10 40 HGCB COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc(Cl)c1OC 642063 OLGACXGFLDOYPL-AWNIVKPZSA-N 420.849 3.328 10 40 HGCB COc1cc(/C=C2/C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)ccc1OC(C)=O 4839146 QZFCSQMVFKMKBN-NVNXTCNLSA-N 400.818 3.044 10 40 HGCB CN(C)c1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1Br 15012161 PQRIUHLXIXELCP-YBEGLDIGSA-N 400.301 3.285 10 40 HGCB Cc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1N1CCOCC1 19716622 CNPDGQBRAPUODV-IBGZPJMESA-N 409.530 3.159 10 40 HGCB COc1ccc([C@@H](c2nnnn2C(C)C)N2CCN(c3ccc(OC)cc3)CC2)cc1 20140487 VMAPVFHWZBWBQO-QFIPXVFZSA-N 422.533 3.183 10 40 HGCB O=C(O)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccnc2)SC1=S 48302067 VNVVKBSBEMOHFE-SXGWCWSVSA-N 422.491 3.220 10 40 HGCB CCN(CC)c1ccc(CN2CCc3c(nc(-c4cccnc4)[nH]c3=O)C2)c(OC)c1 72336821 KTIKWFYCCMDVTG-UHFFFAOYSA-N 419.529 3.245 10 40 HGCB COc1ccc2c(c1)C=C[C@@H]1[C@@H]3C(=O)N(c4c(C)cccc4C)C(=O)[C@H]3[C@@H](C(C)=O)N21 101487378 UTQZZTKVCRFKPY-ADYITMSISA-N 416.477 3.291 10 40 HGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)cc([N+](=O)[O-])c3O)C2=O)cc1C 408857642 VMPQAISLEGDOFN-VGOFMYFVSA-N 415.789 3.237 10 40 HGCB O=C(CSc1ncc(-c2ccc(F)cc2)n1Cc1ccccc1)N1CCNC1=O 6589123 BTIWSIQUEHRULB-UHFFFAOYSA-N 410.474 3.381 10 40 HGCB C/C(=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F)N1CCN(C)CC1 15930193 XWYGQPITEXYHRX-SDNWHVSQSA-N 409.437 3.083 10 40 HGCB COC(=O)Cn1c(-c2ccc(C)cc2)cnc1SCC(=O)Nc1cc(C)on1 44085974 XQIJRGUIUWOTTM-UHFFFAOYSA-N 400.460 3.059 10 40 HGCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1cccn1-c1cccc(C(=O)O)c1 409113101 GLWWLVJFFRQBPA-QGOAFFKASA-N 417.446 3.007 10 40 HGCB Cn1c(-c2ccc(Br)cc2)cnc1SCC(=O)NC[C@H]1CCCO1 6973029 QNLLOWLMEBLDBG-CQSZACIVSA-N 410.337 3.237 10 40 HGCB CSc1ncc(/N=N/c2ccc(S(=O)(=O)Nc3nccs3)cc2)c(N)n1 18128431 SIHWYULXFGCPFQ-FMQUCBEESA-N 407.506 3.453 10 40 HGCB COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(I)c1OC 49476844 KYPZGBZJCCNHAY-POHAHGRESA-N 421.281 3.139 10 40 HGCB CCC[C@H](c1nnnn1Cc1cccs1)N1CCN(c2ccc(OC)cc2)CC1 57671526 STWVACAKWMMBGP-HXUWFJFHSA-N 412.563 3.455 10 40 HGCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCOCC4)cc3C)C2=O)cc1 409070361 FQHKQFAUQRKZSR-RCCKNPSSSA-N 419.481 3.060 10 40 HGCB C[C@H](c1ccccc1)N1C[C@H](C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CC1=O 9379519 CFJOXRMBCFWGCD-DENIHFKCSA-N 421.541 3.091 10 40 HGCB Cc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCCCC1 13008116 AOBCJGQLHGVIDU-QHCPKHFHSA-N 420.557 3.269 10 40 HGCB CN1CCCc2cc(/C=C3\SC(=S)N(NC(=O)c4ccncc4)C3=O)ccc21 13719430 YNUUGEODMKMQDJ-ATVHPVEESA-N 410.524 3.010 10 40 HGCB O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(N2C(=O)CCC2=O)cc1 17200487 OXDZDGSCJLDWGK-UHFFFAOYSA-N 424.412 3.368 10 40 HGCB O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccc(O)c(O)c2)C(=O)N1c1ccc(F)cc1 102761543 ZYLNGPQLLWQJDG-PCCBWWKXSA-N 420.396 3.288 10 40 HGCB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(O)c(O)c3)[C@H]2C(=O)N1c1ccc(F)cc1 13804855 ZYLNGPQLLWQJDG-NJDAHSKKSA-N 420.396 3.288 10 40 HGCB COc1cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)c(Br)cc1O 38173086 JSLZBATUQPFUES-VZUCSPMQSA-N 421.203 3.259 10 40 HGCB COc1ccc(N2CCN([C@H](CC(C)C)c3nnnn3Cc3ccco3)CC2)cc1 57671297 SBIPCUNAZUAOHJ-OAQYLSRUSA-N 410.522 3.232 10 40 HGCB O=C(NN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)c1ccccc1[N+](=O)[O-] 1476270 OCWBNGUEAYZBNB-ZROIWOOFSA-N 403.416 3.280 10 40 HGCB Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(O)c(CNCCN3CCOCC3)cc12 20573480 NQWQCVAKAXXQIE-UHFFFAOYSA-N 422.525 3.128 10 40 HGCB COc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4O)N(c4ccccc4)O[C@H]3C2=O)cc1 103079479 YSVKRYZWYMEBMB-BHDDXSALSA-N 416.433 3.452 10 40 HGCB COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc(OC)c1 409344172 FZXZHLCRORODLH-RIYZIHGNSA-N 406.510 3.312 10 40 HGCB COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1ccc(Br)cc1 970752 QWQDADXMOAGZEA-CCAPLTMGSA-N 406.276 3.301 10 40 HGCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccccn3)c2C)C1=O 4739902 AEKQKRLSYSONLQ-QGOAFFKASA-N 400.438 3.464 10 40 HGCB Cc1cc(C(=O)COc2cccnc2[N+](=O)[O-])c(C)n1-c1ccc2c(c1)OCCO2 6831015 DCIUCMSEWWBQFF-UHFFFAOYSA-N 409.398 3.430 10 40 HGCB CCOC(=O)C1=NN(c2ccccc2)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 14077787 OUGALUBPZVVPSE-WJDWOHSUSA-N 410.426 3.062 10 40 HGCB Cc1coc(NS(=O)(=O)c2ccc(/N=N/c3c(N)nc(S)nc3O)cc2)c1C 17021121 GAXNERFBFCPISV-QZQOTICOSA-N 420.476 3.479 10 40 HGCB COCCCN1C(=O)/C(=C/N2CCN(C/C=C/c3ccccc3)CC2)SC1=S 30819366 JBUZLQIYUXZBID-NPNYDMKJSA-N 417.600 3.056 10 40 HGCB CC(C)n1nnnc1[C@@H](c1ccc(N(C)C)cc1)N1CCN(c2ccc(F)cc2)CC1 35310839 MOTRBPCGNPWCLZ-JOCHJYFZSA-N 423.540 3.371 10 40 HGCB COc1cc(CN/C=C2/C(=O)N(c3cc(C)cc(C)c3)C(=O)N=C2O)cc(OC)c1 103116240 IMCCVOCJYRQQLR-XDHOZWIPSA-N 409.442 3.417 10 40 HGCB COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)/C1=C\c1ccc(N(C)C)cc1 408532803 VYIZSWRLRHBFKB-ZHZULCJRSA-N 420.465 3.416 10 40 HGCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1OC 408815798 UONGAEFIFMLEGS-SFQUDFHCSA-N 410.426 3.159 10 40 HGCB Cc1ccc(C)c(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N(C)C)c1 8798897 JWBJGXBOZUVTOP-NRFANRHFSA-N 401.576 3.267 10 40 HGCB COc1ccc2c(c1)C=C[C@@H]1[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3[C@@H](C(C)=O)N21 9273101 WCPOLXUSRUDXFX-XRXFAXGQSA-N 422.868 3.327 10 40 HGCB CCOc1c(Cl)cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1Br 59139395 OGTSDHWZKLWWNL-UHFFFAOYSA-N 417.712 3.100 10 40 HGCB COc1ccc(N2CCN(C(=O)C3CCN(c4ccc(C(C)=O)cc4)CC3)CC2)cc1 1389444 MNRAGHJEJSEYMY-UHFFFAOYSA-N 421.541 3.463 10 40 HGCB C[C@@H]1C[C@@H](C)CN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C)C2=O)C1 26531881 VAXFLKLHGTWBSX-CJJNDWFMSA-N 414.556 3.008 10 40 HGCB CCOC(=O)[C@H](C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl 107974830 JYPLHTSXLKNZDT-RERGGYADSA-N 414.845 3.132 10 40 HGCB CCN(CC)c1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 223359979 GYAFWZQQMGHZEX-UHFFFAOYSA-N 423.966 3.123 10 40 HGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cn(CC(=O)O)c4ccccc34)C2=O)cc1C 4086263 RFALRMCNOMCGLB-VCHYOVAHSA-N 417.421 3.009 10 40 HGCB Cc1nc(N2CCCCC2)ncc1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 19714787 IIZOYKAMJJDVER-KRWDZBQOSA-N 409.534 3.103 10 40 HGCB CN1CCN(C(=O)CCCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)CC1 22553969 PNJLCIHVEUOYMM-SSZFMOIBSA-N 423.991 3.095 10 40 HGCB COc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4O)[C@H]3C2=O)cc1 100870199 YSVKRYZWYMEBMB-FSSWDIPSSA-N 416.433 3.452 10 40 HGCB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc1OCC 4723773 CKCCXPJKLHHNDV-MHWRWJLKSA-N 414.458 3.454 10 40 HGCB Nc1c(Br)cc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1Br 4794079 RFUAVFVYQXLPRN-YJNRSYRUSA-N 412.081 3.105 10 40 HGCB CN(CCO)c1cc(NCc2ccccc2)c2c(c1N)C(=O)c1ccccc1C2=O 5452402 CFLYUTNGFKDIIT-UHFFFAOYSA-N 401.466 3.085 10 40 HGCB Cc1cc(C(=O)COC(=O)c2nccnc2N)c(C)n1-c1ccc(OC(F)F)cc1 10072673 RBOONVXWJPYRKX-UHFFFAOYSA-N 416.384 3.107 10 40 HGCB CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccccc3F)N3CCCCC3)ccc21 13007980 XLFHRRAGIQQMED-JOCHJYFZSA-N 424.520 3.100 10 40 HGCB COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OS(C)(=O)=O 33399136 IIXYSTJKSFSSHS-WJDWOHSUSA-N 421.521 3.439 10 40 HGCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1c(O)ccc2ccccc12 408880886 JHFRXDNCIQHBCM-GZTJUZNOSA-N 403.350 3.120 10 40 HGCB Cn1c(-c2ccccc2)cnc1SCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 9126817 PEYUBNJJDCSTSA-UHFFFAOYSA-N 424.482 3.299 10 40 HGCB CC(=O)N1C[C@@H](C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)Oc2ccccc21 12564657 PQCQQKISYFOSOO-QHCPKHFHSA-N 407.514 3.449 10 40 HGCB COc1ccc(N2CCN(C(=O)COc3ccc(C)c4c3C(=O)C[C@@H]4C)CC2)cc1 22134771 KXUKXFPMGXXZGO-KRWDZBQOSA-N 408.498 3.421 10 40 HGCB COc1ccc(N2CCN(C(=O)CCc3nc(-c4cccc(F)c4)no3)CC2)cc1 72332130 ALUOCYHVIJHBLI-UHFFFAOYSA-N 410.449 3.166 10 40 HGCB COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O 9259179 NWWBMGJDMVQRAP-NTEUORMPSA-N 419.206 3.263 10 40 HGCB O=c1[nH]c(-c2ccncc2)nc2c1CCN(Cc1ccc(N3CCCC3)c(F)c1)C2 12142881 OSXRPMOQYBSSQU-UHFFFAOYSA-N 405.477 3.130 10 40 HGCB COc1ccc(/C=C2\SC(=S)N([C@@H](CCSC)C(=O)O)C2=O)c(OC)c1 13583154 UVUMEQJXUQOXTP-QENILXLESA-N 413.542 3.111 10 40 HGCB CC(=O)[C@@H](/N=N\c1ccc(S(N)(=O)=O)cc1)C(=O)Nc1cccc2ccccc12 104123708 IEADFHIYHFNJGI-QNBCRBJRSA-N 410.455 3.167 10 40 HGCB COc1ccc(/C=C2/SC(N3CCN(c4ccccc4)CC3)=NC2=O)cc1OC 2407587 ROGZPEOXZROKIB-HMMYKYKNSA-N 409.511 3.496 10 40 HGCB C[C@H]1C[C@H](C)CN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(C)C2=O)C1 4980846 VAXFLKLHGTWBSX-OJTDNIBZSA-N 414.556 3.008 10 40 HGCB O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccccc3)o2)SC1=S 8823920 WFAGJKVHVRKFGT-QQFZQELXSA-N 417.464 3.466 10 40 HGCB COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=S)N(NC(=O)c2ccccc2)C1=O 409175708 APKKSMJLVSCELZ-XNTDXEJSSA-N 415.452 3.150 10 40 HGCB C[C@]12CC[C@@H]3c4c(-n5cnc(N)c6ncnc5-6)cc(O)c(O)c4CC[C@H]3[C@@H]1CCC2=O 504690336 LVRDBTPLRBNEKH-RPRYFYCUSA-N 419.485 3.186 10 40 HGCB in-vitro CC(C)Cn1nc(C(=O)NCc2ccc3c(c2)CCCN3C)c2ccccc2c1=O 58769898 WEJPESCNVGVLRL-UHFFFAOYSA-N 404.514 3.365 10 40 HGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccc(C(=O)O)cc3)C2=O)cc1 408960444 FTSWFTIBIAZANW-CPNJWEJPSA-N 415.405 3.150 10 40 HGCB Cc1cc(N2CCCC2)ccc1/C=C1/NC(=O)N(CC(=O)Nc2ccccc2)C1=O 12445825 AXIQSWBRBKZSIN-XSFVSMFZSA-N 404.470 3.127 10 40 HGCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)CCN3C(=O)[C@H]4CC=CC[C@H]4C3=O)cc2)C1 260577524 BHFQACFUBDFDGJ-YHDSQAASSA-N 423.557 3.441 10 40 HGCB CC(=O)Nc1ccc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)cc1 409327090 HTQNMQYVOSCCKJ-ZROIWOOFSA-N 403.510 3.253 10 40 HGCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1O 2240567 LNPOJQMIPPLYGN-ZSOIEALJSA-N 400.818 3.419 10 40 HGCB Cc1cc(C(=O)[C@H](C)OC(=O)c2cccc(-n3cnnn3)c2)c(C)n1-c1ccccc1 7735257 WTNJWUUQMVAUOX-KRWDZBQOSA-N 415.453 3.498 10 40 HGCB COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCc1ccc(OC)cc1 17088834 MKCFKKMJWPXYSS-STZFKDTASA-N 411.433 3.164 10 40 HGCB CCc1cc2c(=O)c(-c3nc4ccccc4[nH]3)coc2c(CN2CCN(C)CC2)c1O 19682122 OHZHITNUDDGFOA-UHFFFAOYSA-N 418.497 3.352 10 40 HGCB CCCCCN1C(=O)/C(=C2\SC(=S)N([C@H](C)C(=O)O)C2=O)c2ccccc21 27563251 SSGAJILIIZTXRU-PHIZWAGYSA-N 404.513 3.268 10 40 HGCB COc1cc([C@@H]2CC(=O)Nc3ccc4nn(-c5ccc(F)cc5)nc4c32)cc(O)c1O 96116965 KFXJPNKTQPSDOE-AWEZNQCLSA-N 420.400 3.454 10 40 HGCB Cc1cc(C)c(N2C(=O)NC(=O)/C(=C\Nc3ccc([N+](=O)[O-])c(C)c3)C2=O)c(C)c1 408534027 UORZINJAGIOQLO-MHWRWJLKSA-N 408.414 3.407 10 40 HGCB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(O)cc3)c2C)C1=O 409100508 TYDUQAGVBJLDQZ-VZWMTCDZSA-N 400.456 3.398 10 40 HGCB COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCc1ccc(OC)cc1 4999643 LACNBFZKGCXCGA-JCMHNJIXSA-N 423.469 3.033 10 40 HGCB COC(=O)/C=C/c1ccc(N2CCCN(C(=O)c3ccsc3)CC2)c([N+](=O)[O-])c1 54124903 YJXSGSJCDOJHTF-GQCTYLIASA-N 415.471 3.195 10 40 HGCB COc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCC2)c(OC)c1 8963364 DJLZXVHZGJSZCY-QFIPXVFZSA-N 409.530 3.263 10 40 HGCB Cc1noc2nc(-c3cnn(C)c3)cc(C(=O)NCc3ccc(N4CCCC4)cc3)c12 36619180 AXGWAEVZUQBXCR-UHFFFAOYSA-N 416.485 3.462 10 40 HGCB COc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4O)[C@H]3C2=O)cc1 102004885 YSVKRYZWYMEBMB-BHIFYINESA-N 416.433 3.452 10 40 HGCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccccc1O 223578126 VPFBDEYXZHUBFH-LEWJYISDSA-N 408.527 3.160 10 40 HGCB CNS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 225413704 UINILNVMSWHSLE-IAGOWNOFSA-N 415.559 3.322 10 40 HGCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\NC(=O)Nc2ccc(Cl)cc2)C1=O 408528945 GKXAEJFWKIEZEV-RVDMUPIBSA-N 412.833 3.191 10 40 HGCB COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccc2c(c1)OCO2 408892263 HUFONWIZVQPJMX-UNOMPAQXSA-N 421.449 3.339 10 40 HGCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)CCN3C(=O)[C@H]4CC=CC[C@H]4C3=O)cc2)C1 260577519 BHFQACFUBDFDGJ-GKJHBJHPSA-N 423.557 3.441 10 40 HGCB Cc1cc(C(=O)CN2C(=O)CC3(CCCC3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 8710598 XGOOURQWHPVHDI-UHFFFAOYSA-N 408.454 3.325 10 40 HGCB Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCC2)cc1 9135501 BVFRRBCKVCTGED-HSZRJFAPSA-N 420.557 3.269 10 40 HGCB O=C(NN1C(=O)/C(=C/c2ccc3ccccc3n2)SC1=S)c1ccc(O)cc1 13726854 PYRCPTSHVJTCHN-BOPFTXTBSA-N 407.476 3.487 10 40 HGCB Cc1occc1C(=O)Nc1nc(CC(=O)NCc2ccc(N(C)C)c(F)c2)cs1 58157750 IZKQXVBNNBVVCL-UHFFFAOYSA-N 416.478 3.361 10 40 HGCB CCc1ccc(N(CC(=O)NCc2ccc(N(CC)CC)cc2)S(C)(=O)=O)cc1 225633709 MRFWNMQROFRSCE-UHFFFAOYSA-N 417.575 3.178 10 40 HGCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1ccc(C(=O)N2CCOCC2)cc1 8535886 WNARGAQFNQAKOO-ZHZULCJRSA-N 408.433 3.017 10 40 HGCB O=C(NN1C(=O)/C(=C/C=C/c2ccco2)SC1=S)c1ccc([N+](=O)[O-])cc1 13787822 OCLFIFOQTWUIEA-NQDFZQDQSA-N 401.425 3.290 10 40 HGCB Cc1cc(C)cc(N2C(=O)/C(=C\c3ccc(N4CCN(C)CC4)o3)C(O)=NC2=S)c1 17207391 AFNRYVGYYSUTBV-AQTBWJFISA-N 424.526 3.320 10 40 HGCB Cc1cccc(N2C(=O)NC(=O)/C(=C\Nc3ccc([N+](=O)[O-])cc3Cl)C2=O)c1 95471459 BQGIIWMOZOIYKO-UKTHLTGXSA-N 400.778 3.135 10 40 HGCB COc1ccc(/C=C2/SC(=S)N([C@@H]3CC(=O)N(c4ccccc4)C3=O)C2=O)cc1 102801930 GLFJCAHYRICIAR-PCJMVEANSA-N 424.503 3.229 10 40 HGCB CC(=O)Nc1ccc(N/C=C2/C(=O)NC(=O)N(c3cccc4ccccc34)C2=O)cc1 2307272 XKAFAMMKMXHBFV-UYRXBGFRSA-N 414.421 3.377 10 40 HGCB O=C1/C(=C/c2ccccc2)SC(=S)N1CCCC(=O)N1CCCC[C@H]1CCO 6660763 DVZOANCMRBBOET-LXMVLSBBSA-N 418.584 3.432 10 40 HGCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(CS(C)(=O)=O)cc1 10962224 YAMCQTYLYRUCLC-UHFFFAOYSA-N 400.544 3.494 10 40 HGCB CCc1nnc(NC(=O)CCN2C(=O)/C(=C\c3ccccc3)SC2=S)s1 5005470 OUNJHKRZRSSQKN-ZRDIBKRKSA-N 404.542 3.331 10 40 HGCB CSCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2cccc3nccnc23)SC1=S 13719659 QORRAKRGRGDELQ-VWLVURMCSA-N 405.526 3.037 10 40 HGCB Cn1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3O)C2=O)c2ccccc21 13769145 XGLNHBUVBCHONB-YVLHZVERSA-N 409.492 3.430 10 40 HGCB COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1C 15012506 HWFKOVCJAHFALT-GDNBJRDFSA-N 415.243 3.433 10 40 HGCB C[C@H](C(=O)Nc1ccc(C(=O)O)cc1)N1C(=O)/C(=C\c2ccco2)SC1=S 28296867 DWOPJAUQFVKYCI-GMROUXNLSA-N 402.453 3.206 10 40 HGCB N=C1/C(=C/c2cccn2-c2ccc(Br)cc2)C(=O)N=C2SC=NN12 41076636 PRKDELOUOFGYAG-ILZPQDLUSA-N 400.261 3.489 10 40 HGCB COc1cccc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c1OC(C)C 409016875 AQUUOCZDJILWBQ-MHWRWJLKSA-N 414.458 3.453 10 40 HGCB COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1O 409255305 YROTVPRMLGTFSV-NTUHNPAUSA-N 422.384 3.251 10 40 HGCB Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(N=Nc3ccccc3)c(O)c12 257347781 UDCKXEFJOHLCKM-UHFFFAOYSA-N 423.428 3.036 10 40 HGCB COc1cccc(C=C2C(=O)NC(=S)NC2=O)c1OCc1cccc2ccccc12 408880378 JOUHLWGKJWGKBZ-UHFFFAOYSA-N 418.474 3.342 10 40 HGCB COc1ccccc1/C=C1/SC(=S)N(CCC(=O)Nc2nccs2)C1=O 1908870 ZKNRLLRXRIDVLC-JLHYYAGUSA-N 405.526 3.382 10 40 HGCB CCNc1nc(NCC)n2c(SCC(=O)Nc3ccc(C)c(Cl)c3)nnc2n1 4570526 ZMNSNFACDOFGEF-UHFFFAOYSA-N 420.930 3.076 10 40 HGCB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(O)c(O)c3)[C@H]2C(=O)N1Cc1ccccc1 136722555 VWXGOXBOHRFSEE-YPAWHYETSA-N 416.433 3.145 10 40 HGCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2cc([N+](=O)[O-])ccc2Cl)C1=O 408532930 NDDJCIVRQCLJRZ-JLHYYAGUSA-N 414.805 3.389 10 40 HGCB CCOc1cc2c(cc1/C=C1/C(=O)NC(=S)N(c3ccccc3CC)C1=O)OCO2 409089981 POBRMGVOSLZPBQ-DHDCSXOGSA-N 424.478 3.208 10 40 HGCB CN(C)c1ccc([C@H](CNC(=O)C(=O)NC2CCCC2)N2CCc3ccccc32)cc1 5350250 KZGVMKRSAKRHSK-QHCPKHFHSA-N 420.557 3.031 10 40 HGCB Cc1ccc(C)n1-c1ccc2c(c1)CC1(C(=O)N(C)C(=O)N(C)C1=O)[C@@H]1CCCCN21 5451820 OGDBMOWPOLHTFW-FQEVSTJZSA-N 420.513 3.046 10 40 HGCB CSCC[C@H](C(=O)O)N1C(=O)/C(=C\c2cnc3ccccc3n2)SC1=S 8202461 PAHZPTWFCQKEJA-SJWLEHQBSA-N 405.526 3.037 10 40 HGCB O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccccc3)o2)SC1=S 10232815 WFAGJKVHVRKFGT-NWFCWYBLSA-N 417.464 3.466 10 40 HGCB CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(F)cc3)N3CCCCC3)ccc21 13007999 UCVVBXYPTIVXMJ-QFIPXVFZSA-N 424.520 3.100 10 40 HGCB CCCC[C@H](c1nnnn1Cc1ccco1)N1CCN(c2ccc(OC)cc2)CC1 57671228 JBWLGZOITTUXCR-OAQYLSRUSA-N 410.522 3.377 10 40 HGCB CC1=C(Nc2cccc([N+](=O)[O-])c2)[C@H](c2ccc(N3CCOCC3)cc2)NC(=O)N1 102609769 MXHYDGROPVEOBZ-FQEVSTJZSA-N 409.446 3.129 10 40 HGCB CCCOc1c(Br)cc(/C=C2\SC(NC(C)=O)=NC2=O)cc1OC 409025503 VYYXCHRCIOGBOJ-JYRVWZFOSA-N 413.293 3.353 10 40 HGCB COC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)O)C3=O)c2C)c1 409129076 UFZUIQOKXTWZOQ-CXUHLZMHSA-N 414.439 3.002 10 40 HGCB CN(C)c1ccc([C@@H](CNC(=O)c2cc(-c3ccccc3)on2)N2CCOCC2)cc1 28296116 YICLVPXRKCWOBU-JOCHJYFZSA-N 420.513 3.211 10 40 HGCB CN(c1cccc(C(=O)NCc2ccc(N3CCCCC3)cc2)c1)S(C)(=O)=O 222418692 SMFTWSXJPRBMTM-UHFFFAOYSA-N 401.532 3.003 10 40 HGCB CN(c1cccc(NC(=S)NCc2ccc(N3CCCC3)cc2)c1)S(C)(=O)=O 225424189 CBFBPSBDEYBKLQ-UHFFFAOYSA-N 418.588 3.169 10 40 HGCB Cc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Br)c3)C(=O)NC2=S)cc1 408740274 FGHDNWKLHHIPIJ-MDWZMJQESA-N 417.284 3.294 10 40 HGCB CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 408813471 QLHOLDGPLGZHJM-CXUHLZMHSA-N 400.818 3.414 10 40 HGCB COc1ccccc1/C=C1\SC(=S)N(NC(=O)c2ccccc2[N+](=O)[O-])C1=O 1828920 OADVPXJEBYYHQA-GDNBJRDFSA-N 415.452 3.150 10 40 HGCB Nc1c(Br)cc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1Br 2270011 RFUAVFVYQXLPRN-AIQZBZIUSA-N 412.081 3.105 10 40 HGCB COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)NCCc2c[nH]cn2)cc1 4736934 PZXHVTQNJZATJO-QNGOZBTKSA-N 419.460 3.415 10 40 HGCB COc1ccc(N2CCN(C(=O)c3cc(C4CC4)nc4c3c(C)nn4C)CC2)cc1 27985016 MLFLMOMPHFMODQ-UHFFFAOYSA-N 405.502 3.125 10 40 HGCB CCOC(=O)c1ccccc1NC(=O)C[C@@H]1SC(=S)N(Cc2ccco2)C1=O 9189407 KVIHQJJKGDHXNJ-HNNXBMFYSA-N 418.496 3.214 10 40 HGCB COc1cc(N(C)C)ccc1/C=C1\C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O 230860807 AAILKVXJPYQRTE-MHWRWJLKSA-N 415.902 3.246 10 40 HGCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1-c1cccc(F)c1 409394191 WYHHWFUIKNKCRG-YBFXNURJSA-N 404.401 3.295 10 40 HGCB O=C(Cn1cc(/C=C2/C(=O)Nc3ccccc32)c2ccccc21)NC[C@H]1CCCO1 3646604 VRUQHYYHPXIYIZ-XNHPLOEXSA-N 401.466 3.429 10 40 HGCB CC1=C(C(=O)Nc2ccc(F)c(F)c2)[C@@H](c2ccc(N(C)C)cc2)NC(=S)N1 5500493 UTLPBBVSVSBQGB-GOSISDBHSA-N 402.470 3.462 10 40 HGCB CCOc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N(C)C)cc1 8798854 HEKWJGKMNKZMTA-JOCHJYFZSA-N 417.575 3.049 10 40 HGCB CN1C(=O)C(=Cc2ccc(OCc3c(F)cccc3Cl)cc2)C(=O)N(C)C1=O 1059504 HRQXEHIYDWFGIK-UHFFFAOYSA-N 402.809 3.492 10 40 HGCB CCCCNC(=O)CCCN1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)SC1=S 5376044 YXDOXODGOQLNJQ-SSZFMOIBSA-N 420.556 3.371 10 40 HGCB Cc1ccc(C)c(NC(=O)CN2C(=O)/C(=C3\SC(=S)NC3=O)c3ccccc32)c1 9971969 YQXJTGQIZJGVPG-ZCXUNETKSA-N 423.519 3.148 10 40 HGCB O=C(O)/C=C\C(=O)N1N=C(c2ccccc2OC(F)F)C[C@H]1c1ccccc1O 80316162 YUWHPDTWWCFWOG-KVPUOBJLSA-N 402.353 3.312 10 40 HGCB O=C(COCCc1ccccc1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 89832416 UXMZJAUBAASMLA-FQEVSTJZSA-N 402.922 3.386 10 40 HGCB CCN(CC)c1ccc(/C=c2/sc3nc(-c4ccccc4OC)nn3c2=O)cc1 2702637 IMCGPNYNTRSEMV-XMHGGMMESA-N 406.511 3.221 10 40 HGCB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccccc3O)[C@@H]2C(=O)N1Cc1ccccc1 17837240 HZUINGSLGSOXRQ-BDTNDASRSA-N 400.434 3.439 10 40 HGCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCc1ccc(F)cc1 59535568 DPAFNCAQNIVZKY-UHFFFAOYSA-N 418.808 3.206 10 40 HGCB Cc1cccnc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c1C 223584373 GVIXUSQSWSGSGN-VQTJNVASSA-N 407.543 3.157 10 40 HGCB CSc1ccc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)cc1 5047269 KEYRWHKKQQXFMT-IUUVDYQKSA-N 413.528 3.040 10 40 HGCB CN1CCCc2cc([C@@H](CNS(=O)(=O)c3cccs3)N3CCCC3)ccc21 8799001 SCDGTQCCSRATMP-LJQANCHMSA-N 405.589 3.246 10 40 HGCB O=C1/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC(=S)N1N1CCOCC1 16694906 PDENRDKYXRTSFR-LFIBNONCSA-N 417.468 3.303 10 40 HGCB CN1CCN(C(=O)CCCCCN2C(=O)/C(=C/c3ccccc3)SC2=S)CC1 19790427 MZTVWPWFESWGHU-VLGSPTGOSA-N 417.600 3.222 10 40 HGCB N=C1/C(=C/c2ccc(Br)o2)C(=O)N=C2SC(c3cccnc3)=NN12 33468334 JRVJUCWEVQGBQE-PZDRNHEUSA-N 402.233 3.105 10 40 HGCB C[C@H](NC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccc(N2CCC[C@@H](C)C2)cc1 219018881 BHFQACFUBDFDGJ-OSZJIOELSA-N 423.557 3.441 10 40 HGCB COc1ccc2cc(/C=C3\SC(=S)N(N4CCOCC4)C3=O)c(Cl)nc2c1 256055810 VDDNKAUZETXZRQ-DHDCSXOGSA-N 421.931 3.345 10 40 HGCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2nc3cc(C)c(C)cc3s2)C1=O 408536056 VMLRBCMJHTWPRE-RVDMUPIBSA-N 420.494 4.054 10 40 HGCB Cc1c(C(=O)O)cccc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)o1 409229515 QGFKYUOOCDPRBN-LICLKQGHSA-N 417.377 3.015 10 40 HGCB Cc1cc(C(=O)CSc2nc(N)nc(N)n2)c(C)n1-c1ccc(OC(F)F)cc1 8780372 UMZQGDPJSORGIH-UHFFFAOYSA-N 420.445 3.020 10 40 HGCB Cc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)cc1C 16838340 KGOPFFAZOQQVAE-DEOSSOPVSA-N 407.558 3.489 10 40 HGCB C[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(N2CCCCC2)cc1 225423327 JQQWAUOGZZUEES-QGZVFWFLSA-N 415.559 3.418 10 40 HGCB O=C1/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C(O)=NC(=S)N1c1ccccc1F 59135766 DBYINDADSORBRG-YHYXMXQVSA-N 415.358 3.134 10 40 HGCB O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C/Nc1ccc(C(=O)O)cc1 408535674 ZNZJQDBOKIRTNL-SFQUDFHCSA-N 401.378 3.117 10 40 HGCB COc1cc(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c1O 408848338 UBMLVVSXAOWVDS-OVCLIPMQSA-N 400.818 3.337 10 40 HGCB CCn1cccc1/C=C1\C(=O)NC(=S)N(c2ccc(Br)cc2C)C1=O 408940573 VAXAHZJKMCGTDW-GXDHUFHOSA-N 418.316 3.410 10 40 HGCB O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)N1CCOCC1 1908819 RADUMDSSNHQPIO-ICFOKQHNSA-N 404.557 3.307 10 40 HGCB Cc1c(Br)c(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1ccccc1 408859115 SVAKEFHQOQLZSL-UHFFFAOYSA-N 416.275 3.290 10 40 HGCB CN(C)c1ccc([C@H]2Nc3ccccc3C(=O)N2NS(=O)(=O)c2ccccc2)cc1 3641457 UHPBKQBWHFEVND-NRFANRHFSA-N 422.510 3.213 10 40 HGCB O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1cccc2nonc12 8516009 NQRRMTYXZYRIPH-RVDMUPIBSA-N 410.480 3.453 10 40 HGCB CCn1c(N2CCC(C(=O)NCCc3ccc(O)c(O)c3)CC2)nc2ccccc21 12116415 AYXUQIQSSKHINK-UHFFFAOYSA-N 408.502 3.043 10 40 HGCB COc1ccc(/C=C2\SC(=S)N([C@@H]3CC(=O)N(c4ccccc4)C3=O)C2=O)cc1 2711411 GLFJCAHYRICIAR-FEEIMYBTSA-N 424.503 3.229 10 40 HGCB COc1ccccc1OCC(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCCC1 13008259 FFZVDRPHQDWHTE-QFIPXVFZSA-N 423.557 3.410 10 40 HGCB CSCC[C@H](C(=O)O)N1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S 16931436 PKAOWGZIAVZOMF-MLJKTZRHSA-N 407.538 3.413 10 40 HGCB COc1cc(/C=C2\C(=O)N(c3ccccc3F)C(=O)N=C2O)cc(OC)c1OC 17027840 YAIOSTLVRVQZIY-WQLSENKSSA-N 400.362 3.358 10 40 HGCB CSc1ncc(/N=N\c2ccc(S(=O)(=O)Nc3nccs3)cc2)c(N)n1 104055090 SIHWYULXFGCPFQ-VXPUYCOJSA-N 407.506 3.453 10 40 HGCB COc1ccccc1N1C(=O)/C(=C/c2ccc(Br)s2)C(=O)NC1=S 409172522 JUPKPKYYTPMBHK-CSKARUKUSA-N 423.313 3.351 10 40 HGCB CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(O)c(O)c3)C2=O)c1 9234260 KICZBHXUADGMAR-LZYBPNLTSA-N 416.480 3.495 10 40 HGCB N=C1/C(=C\c2coc3ccccc3c2=O)C(=O)N=C2SC(c3ccc(O)cc3)=NN12 9266364 HWTQKLXRBKTRPV-TWGBNTOESA-N 416.418 3.166 10 40 HGCB CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)C1 260507620 NATMTAJKEOTYID-GGPKGHCWSA-N 421.607 3.162 10 40 HGCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OC 408857147 LDWNANAXIQSSCE-NTUHNPAUSA-N 404.781 3.163 10 40 HGCB COc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCC(=O)O 409204207 CNEUZSUHFKZTFR-CXUHLZMHSA-N 418.496 3.114 10 40 HGCB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2c(C)[nH]c3ccccc23)C1=O 409228169 VFDBFXCGNRBIEN-WOJGMQOQSA-N 404.426 3.016 10 40 HGCB Cc1nn(CC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)c(C)c1[N+](=O)[O-] 2640890 AOGARVJYPHESMU-UHFFFAOYSA-N 410.430 3.470 10 40 HGCB COc1ccc(/C=C2\SC(=S)N(CC(=O)N3CCC(C)CC3)C2=O)cc1OC 4263408 GDHQVERMCJIDKO-BOPFTXTBSA-N 420.556 3.164 10 40 HGCB CCOc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N(C)C)cc1 8798853 HEKWJGKMNKZMTA-QFIPXVFZSA-N 417.575 3.049 10 40 HGCB COC(=O)c1cc2ccccc2c(CN2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)c1O 29539805 DGIVGGJBMDBSMG-IBGZPJMESA-N 423.465 3.398 10 40 HGCB O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)NCCc1ccc(O)cc1 33548538 YXZVHLIHQDAOJL-GHRIWEEISA-N 416.524 3.326 10 40 HGCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc(Cl)c1OCC 409390299 DXDUXPKTIKXRPT-NTEUORMPSA-N 415.833 3.199 10 40 HGCB COc1ccc(N2CCN(C(=O)COC(=O)Cc3ccc4c(c3)CCCC4)CC2)cc1 7022966 QIVKOWKTBGYFHT-UHFFFAOYSA-N 422.525 3.009 10 40 HGCB CCOc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3cc(C)on3)C2=O)cc1 27530553 VCZPDELHHVRGEJ-NTEUORMPSA-N 403.485 3.222 10 40 HGCB COc1ccc(-c2noc([C@@H]3C[C@H](NCc4ccc(N(C)C)cc4)CN3C)n2)cc1 35424524 HIFVDLUPBNVNMQ-RXVVDRJESA-N 407.518 3.346 10 40 HGCB biogenic,in-vitro COCCN(CCOC)Cc1c(O)ccc2c(=O)c(-c3ccc(OC)cc3)coc12 41584388 WECIHNXXGJOLLM-UHFFFAOYSA-N 413.470 3.269 10 40 HGCB biogenic CCOC(=O)[C@@H](C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl 107974822 JYPLHTSXLKNZDT-YYTPVVGHSA-N 414.845 3.132 10 40 HGCB O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1CCC(=O)N1CCCC[C@H]1CCO 28296892 CILDXSMQAZXEAV-YKBBIGDRSA-N 422.547 3.181 10 40 HGCB CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)sc2c1CC[C@H](CC)C2 100684715 BKKVYXBZSGFURC-CFXSOUKZSA-N 421.515 3.256 10 40 HGCB COc1ccc(CCNC(=O)c2c(C)oc3c2C(=O)c2ccccc2C3=O)cc1OC 2700671 OZKQRTZNFYPZBH-UHFFFAOYSA-N 419.433 3.353 10 40 HGCB O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NC1=NCCS1 4263569 QDTAZSJTHROBBG-UQAUATQKSA-N 403.554 3.053 10 40 HGCB COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N=C(O)N(Cc4ccco4)C3=O)o2)cc1 17195703 OEKDGEOKAQDXMB-GZTJUZNOSA-N 420.377 3.193 10 40 HGCB COc1ccc(CN2CCC[C@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)c(O)c1 19551822 JJXGYPJYCXSGGV-AWEZNQCLSA-N 410.923 3.232 10 40 HGCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2nc3ccc(Cl)cc3s2)C1=O 408536328 WDORIMVHANYBEA-FMIVXFBMSA-N 412.858 3.837 10 40 HGCB Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3cccs3)C2=O)c(C)n1C[C@@H]1CCCO1 409198576 CEXOXIJVBMTQPI-HKJBKDEOSA-N 413.499 3.007 10 40 HGCB CCCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(OC)cc2)c(O)c1 6053265 OZUSQBYSXBGPIG-FQEVSTJZSA-N 411.458 3.456 10 40 HGCB O=C(CN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc([N+](=O)[O-])cc1O 8763428 IBZRRPKCGZJMOZ-QPEQYQDCSA-N 421.481 3.202 10 40 HGCB COc1ccc(N2CCN(C[C@H](O)COc3ccc(Br)cc3)CC2)cc1 25264983 CRYRDOHHWHMZED-SFHVURJKSA-N 421.335 3.020 10 40 HGCB CN(C(=O)c1c[nH]nc1[C@@H]1CCCN(C(=O)C[C@H]2CCCCN2C)C1)c1ccccc1 257332998 XZPKEJZGWOVXMS-UYAOXDASSA-N 423.561 3.267 10 40 HGCB O=C1NC(=O)C(=Cc2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc23)C(=O)N1 408818973 ZEJFFONKTHTTEP-UHFFFAOYSA-N 417.377 3.076 10 40 HGCB O=C1NC(=O)C(=Cc2cc(Cl)cc(Cl)c2OCc2ccccc2F)C(=O)N1 409048585 SJDBTUGHEZOXSX-UHFFFAOYSA-N 409.200 3.461 10 40 HGCB CC(=O)Nc1ccc(/C=C2\SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)cc1 13569998 CJBXNVULPDLIST-QNGOZBTKSA-N 420.538 3.433 10 40 HGCB COc1ccc2ccc(O)c(CN3CCN(S(=O)(=O)c4cccs4)CC3)c2c1 25666676 XZAJBRACULIGSJ-UHFFFAOYSA-N 418.540 3.122 10 40 HGCB CSc1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)cc1NC(C)=O 223320905 ARUIXOBIUDYJBF-UHFFFAOYSA-N 419.572 3.446 10 40 HGCB COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1OC 408982124 GBNMEUVAVOZMBF-ZROIWOOFSA-N 400.818 3.332 10 40 HGCB Cc1oc2c(c1C(=O)N1CCN(c3ccccc3)CC1)C(=O)c1ccccc1C2=O 937969 OKCKBANSFWASOZ-UHFFFAOYSA-N 400.434 3.326 10 40 HGCB CCN(CC)c1ccc(N/C=C2/C(=O)NC(=O)N(c3cccc(OC)c3)C2=O)cc1 5947557 PKSOCWXMKVPRCA-RGEXLXHISA-N 408.458 3.120 10 40 HGCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)c(Br)o1 33783612 JNZXEEFSRLFKFI-POHAHGRESA-N 412.037 3.266 10 40 HGCB Cc1cc(C(=O)CN2C(=O)C(=O)N(C)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 6912163 SWZLEVMMXRNBRP-UHFFFAOYSA-N 408.241 3.004 10 40 HGCB COc1cccc(/C=C2\SC(=S)N(CC(=O)Nc3cccc(O)c3)C2=O)c1 28464745 XHAFJDOIKPWAJW-SXGWCWSVSA-N 400.481 3.241 10 40 HGCB CC1=NN(c2ccc3nnc(C)n3n2)C(=O)/C1=C/Nc1ccc(Cl)cc1Cl 36364989 CXPZGVVKVADSAG-XYOKQWHBSA-N 402.245 3.458 10 40 HGCB COc1ccc(N2CN=C3S[C@@H](CC(=O)Nc4ccc(C)cc4C)C(=O)N3C2)cc1 65330182 ZMXCMIJDEVMBMA-IBGZPJMESA-N 424.526 3.376 10 40 HGCB Cc1ccc(Sc2oc(C=C3C(=O)NC(=O)NC3=O)cc2Br)cc1 408913806 NYCOUWLOYAVXAS-UHFFFAOYSA-N 407.245 3.251 10 40 HGCB COc1ccc2nc(C[C@H]3CN(Cc4ccccc4O)CC[C@H]3CC(=O)O)[nH]c2c1 514288402 CRPDPOPXDWPWKX-RDJZCZTQSA-N 409.486 3.433 10 40 HGCB biogenic,in-vitro COc1ccc(N2CCN(C(=O)C(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1 10327717 KSYBCSCGQBXPGF-UHFFFAOYSA-N 407.392 3.001 10 40 HGCB O=C1/C(=C\c2ccc(-c3ccccc3F)o2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 46085580 VPFUMKLSADOIMC-LKBVRNOZSA-N 423.512 3.474 10 40 HGCB O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(O)c([N+](=O)[O-])c1 408961767 DVRLWGCXFYFLJN-RMKNXTFCSA-N 422.180 3.274 10 40 HGCB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCC2)cc1F 4330717 TZZJBFKHYVQAJT-NRFANRHFSA-N 412.509 3.092 10 40 HGCB CC(=O)Nc1ccc(N/C=C2\C(=O)NC(=S)N(CCC3=CCCCC3)C2=O)cc1 6293795 UODTZNBRWIWFQH-QGOAFFKASA-N 412.515 3.075 10 40 HGCB CC(C)(C)C(=O)N1N=C(c2ccccc2NS(C)(=O)=O)C[C@H]1c1ccccc1O 9378563 UOXLGQIFETZMQE-SFHVURJKSA-N 415.515 3.488 10 40 HGCB COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)cc1 223598871 SGOIBMOAZLBIBC-SFTDATJTSA-N 408.527 3.154 10 40 HGCB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=C1\C(=O)N=C(S)N(c2ccc(C)cc2)C1=O 9165742 WAVCZCZIHBICOQ-BOFQVRIASA-N 418.478 3.119 10 40 HGCB COc1ccccc1NC(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 5671225 YNSKWDVRCRDFKZ-UHFFFAOYSA-N 415.401 3.266 10 40 HGCB Cc1nc(N2CCCCC2)ncc1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 19714786 IIZOYKAMJJDVER-QGZVFWFLSA-N 409.534 3.103 10 40 HGCB CN1C(=O)/C(=C/c2ccc(C(=O)Nc3ccc(C(=O)O)c(O)c3)cc2)SC1=S 9348540 HOKNSOVKAHMBKB-NVNXTCNLSA-N 414.464 3.174 10 40 HGCB CCN(CC)c1ccc(/C=C2/C(=O)NN(c3ccc(F)c(Cl)c3)C2=O)c(O)c1 16157493 IKRVVZFMUCSRBH-DHDCSXOGSA-N 403.841 3.492 10 40 HGCB COc1cc(/C=C2\C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)N=C2O)cc(Cl)c1O 16195032 YLDAHCGVPWIFRG-XGICHPGQSA-N 417.761 3.469 10 40 HGCB O=C(CN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2F)C1=O)N1CCCCC1 33694889 FQSKEIHFYMFYCR-PDGQHHTCSA-N 417.506 3.475 10 40 HGCB CNC(=O)c1c(NS(=O)(=O)c2cccc3cccnc23)sc2c1CCCC2 28249699 RSISXFZIVTUMOE-UHFFFAOYSA-N 401.513 3.336 10 40 HGCB COC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cc(C(=O)O)ccc3C)o2)C1=O 33779584 IGSWMBLNZJWFDL-NVNXTCNLSA-N 401.396 3.163 10 40 HGCB COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc1 35377561 KMSNAMZTSSOJFB-LFIBNONCSA-N 400.481 3.250 10 40 HGCB Cc1cc(C)cc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCC2)c1 4330516 CIKPECMBKCDSAJ-JOCHJYFZSA-N 408.546 3.261 10 40 HGCB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1cc(OC)ccc1OC 4999623 DGMXNJFZOPONBY-STZFKDTASA-N 409.442 3.356 10 40 HGCB Nc1nc(SCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)nc(-c2ccco2)n1 6584630 MTMXLCPUIJKVSY-UHFFFAOYSA-N 412.500 3.183 10 40 HGCB CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)sc2c1CC[C@H](CC)C2 13154248 BKKVYXBZSGFURC-LYLMJZQMSA-N 421.515 3.256 10 40 HGCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 15134520 TUIMPXBPUISPKY-ZROIWOOFSA-N 416.781 3.380 10 40 HGCB O=c1oc2c3c(ccc2c2c1CCC2)OCN(c1ccc(CN2CCOCC2)cc1)C3 20548480 GZRMKOAYQANHAC-UHFFFAOYSA-N 418.493 3.470 10 40 HGCB O=C1/C(=C/c2cc3cc4c(cc3[nH]c2=O)OCO4)SC(=S)N1C1CCCC1 51330854 SVXLJKTXUQRECX-APSNUPSMSA-N 400.481 3.401 10 40 HGCB COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc1ccc(Cl)c(Cl)c1 113830826 LHGCFXGSNMNSLG-UHFFFAOYSA-N 421.236 3.330 10 40 HGCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(-c2ccc(C(=O)O)cc2)o1 2209743 CGMLKCFKWSCSLG-BOPFTXTBSA-N 420.352 3.450 10 40 HGCB COc1ccc(N2CCN([C@@H](c3ccccc3OC)c3nnnn3C(C)C)CC2)cc1 19454681 RVDKIBOECZXVJZ-QFIPXVFZSA-N 422.533 3.183 10 40 HGCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\Nc3c(C)cc(C)cc3[N+](=O)[O-])C2=O)cc1 408527533 FZTOVDUTBNWESS-LFIBNONCSA-N 424.413 3.189 10 40 HGCB COc1ccc(N2C(=O)/C(=C/c3c[nH]c4ccccc34)C(=O)NC2=S)c(OC)c1 409102131 ZZOWHJLCYGRJKQ-OQLLNIDSSA-N 407.451 3.016 10 40 HGCB O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc2c(c1)OCO2 409199182 BSWYQRRWXLGOGN-VZUCSPMQSA-N 405.193 3.389 10 40 HGCB O=C1/C(=C\c2cc3cc4c(cc3[nH]c2=O)OCO4)SC(=S)N1C1CCCC1 9477226 SVXLJKTXUQRECX-FRKPEAEDSA-N 400.481 3.401 10 40 HGCB Cc1cc(C)cc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N(C)C)c1 13008549 UEMXWMLKGGXMLM-QFIPXVFZSA-N 408.546 3.043 10 40 HGCB O=C(CN1CCN(Cc2cc(Cl)c3ccccc3c2O)CC1)N1CCCCC1 23254144 YEXMKCXPYZVYOT-UHFFFAOYSA-N 401.938 3.329 10 40 HGCB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccc(O)c(O)c3)[C@H]2C(=O)N1Cc1ccccc1 101179907 VWXGOXBOHRFSEE-FSSWDIPSSA-N 416.433 3.145 10 40 HGCB CC(=O)[C@@H](N=Nc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 255969513 DLQMNSDNQWLFSS-OAHLLOKOSA-N 416.781 3.098 10 40 HGCB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(C(C)(C)C)c2C)C1=O 409245511 UXJATMFATFRJPJ-LDADJPATSA-N 424.501 3.400 10 40 HGCB CN1C(=O)/C(=C\c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)cc2)SC1=S 35655877 NQTLYLPXQVQOQN-OVCLIPMQSA-N 415.452 3.384 10 40 HGCB COc1ccc(N2CCN(C(=O)c3nnn(-c4ccc(Cl)cc4)c3C)CC2)cc1 51317500 BWXRVJYZGCCTHH-UHFFFAOYSA-N 411.893 3.200 10 40 HGCB O=C1NC(=O)C(=Cc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C(=O)N1 59565775 UVJPQHOVBNNUQL-UHFFFAOYSA-N 421.287 3.155 10 40 HGCB C[C@H](C(=O)N1CCCC[C@H]1CCO)N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 6660458 DAEYOFNJLRVTLV-RQUCNENLSA-N 422.547 3.179 10 40 HGCB COc1ccc(N2C(=O)/C(=C/c3cn(C)c4ccccc34)C(=O)NC2=S)c(OC)c1 59595743 QWIYVYYNZFUIIV-MHWRWJLKSA-N 421.478 3.027 10 40 HGCB CN1CCCc2cc(CNC(=O)[C@H]3CC[C@H](CNC(=O)c4cccnc4)CC3)ccc21 100766642 VURMZFIRLPGHOD-PUZFROQSSA-N 420.557 3.317 10 40 HGCB COc1ccc(N2CCN(C(=O)CSc3nnc(-c4ccccc4C)o3)CC2)cc1 882278 PKBVYKBDPVSLIB-UHFFFAOYSA-N 424.526 3.495 10 40 HGCB O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C/Nc1cccc(-c2ccc(CO)o2)c1 9306549 ZLEKVUIVJYSTCT-LDADJPATSA-N 409.442 3.146 10 40 HGCB CCN(CC)c1ccc(CN(C(=O)c2cccs2)[C@@H]2CCS(=O)(=O)C2)cc1 5249592 GRKZUKLCXASQRO-GOSISDBHSA-N 406.573 3.424 10 40 HGCB C[C@@H](C(=O)N1CCCC[C@@H]1CCO)N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 6660455 DAEYOFNJLRVTLV-ULMFOFDQSA-N 422.547 3.179 10 40 HGCB CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)cc1 225374880 SZZPIELBWUPYHI-UHFFFAOYSA-N 410.923 3.451 10 40 HGCB CN(C)c1ccc(N=Nc2ccc(S(=O)(=O)N3CCC[C@H]3C(=O)O)cc2)cc1 255978705 IIHLDMYXACDQGQ-SFHVURJKSA-N 402.476 3.406 10 40 HGCB CN1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)N(C)C1=S 59139250 POOGRYUBPJMZHK-UHFFFAOYSA-N 405.819 3.107 10 40 HGCB CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C\c1ccc(Cl)cc1Cl 96193257 YHWCTFJAPNHECV-NVNXTCNLSA-N 410.282 3.447 10 40 HGCB COc1ccc(S[C@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2)cc1OC 216298720 WTCOGVWVSXSZRB-MRXNPFEDSA-N 416.543 3.337 10 40 HGCB CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc1Br 409130059 TXLQVNBBHDOJSY-MDWZMJQESA-N 413.293 3.416 10 40 HGCB O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)NCCc1ccc(O)cc1 5351903 GESVMGJWDPBHKZ-JXAWBTAJSA-N 412.536 3.342 10 40 HGCB CCN1CCN(Cc2c(O)ccc3cc(-c4ccc(OC)c(OC)c4)c(=O)oc23)CC1 20605118 RRVWLXDYGFXHOU-UHFFFAOYSA-N 424.497 3.320 10 40 HGCB biogenic CC(=O)[C@@H](/N=N/c1ccc(S(N)(=O)=O)cc1)C(=O)Nc1cccc2ccccc12 104123713 IEADFHIYHFNJGI-FYTMPNSFSA-N 410.455 3.167 10 40 HGCB CCN(CC)c1ccc(CNC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc1 223464899 DLJCNCMPIYIELX-UHFFFAOYSA-N 417.575 3.232 10 40 HGCB C[C@@H]1CCCN(c2ccc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)C1 223698133 SYHLQPAHFJIKMM-MRXNPFEDSA-N 402.516 3.173 10 40 HGCB Cc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1N1CCCCS1(=O)=O 224517091 HGASGAILUCNHFA-UHFFFAOYSA-N 415.559 3.263 10 40 HGCB CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2)N2CCCC2)cc1 4330498 WCAFJEKFPGYCAD-FQEVSTJZSA-N 414.937 3.298 10 40 HGCB O=C1/C(=C/c2cccc(C(F)(F)F)c2)SC(=S)N1CCN1CCOCC1 12922864 IQYBGDOJJISAKM-KAMYIIQDSA-N 402.463 3.239 10 40 HGCB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=C1/C(=O)N(c2ccc(F)cc2)C(=O)N=C1O 59134992 DPSNMXHESXXLHI-KTZOAPACSA-N 406.373 3.214 10 40 HGCB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccc(N2CCOCC2)cc1OC 409376729 AMJRUTKZOXCJMX-LJQANCHMSA-N 415.515 3.300 10 40 HGCB CN1C(=O)/C(=C\c2ccc(C(=O)N(C)c3ccccc3C(=O)O)cc2)SC1=S 5374790 IKJNEKFMYOKIAB-LFIBNONCSA-N 412.492 3.492 10 40 HGCB COc1ccc(CNC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cc1 8971087 SIAYVPFJBFBCEG-UHFFFAOYSA-N 416.389 3.309 10 40 HGCB Cc1ccc(C)c(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N(C)C)c1 9135454 SWQLGAZNESACHZ-QFIPXVFZSA-N 408.546 3.043 10 40 HGCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1C(=O)O 10038295 NMDGZDKBQCFBGX-JLHYYAGUSA-N 414.801 3.103 10 40 HGCB COc1ccc(/C=C2\C(=O)NC(=O)N(CCC3=CCCCC3)C2=O)c(OC)c1OC 2283580 CWERRWFAMMVYKZ-DTQAZKPQSA-N 414.458 3.065 10 40 HGCB Cc1ccc(N2C(=O)NC(=O)/C(=C/Nc3cccc(Br)c3)C2=O)cc1 15930210 ULUBIMWIUHJSDE-GDNBJRDFSA-N 400.232 3.336 10 40 HGCB O=C(O)COc1ccc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 409328843 BMCWRECLGRRTOD-NVNXTCNLSA-N 416.436 3.464 10 40 HGCB CC(=O)NN1C(=O)/C(=C/c2ccc(OC(F)F)cc2OC(F)F)SC1=S 3346732 OQDDJQBIHGQONU-WMZJFQQLSA-N 410.370 3.142 10 40 HGCB COc1cc(/C=C2\SC(NC(=O)c3ccc(F)cc3)=NC2=O)cc(OC)c1OC 5374387 FIPSHVYVFNHMQF-YBEGLDIGSA-N 416.430 3.252 10 40 HGCB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(N4CCCC4)c(F)c3)C2=O)c1 9264814 CFYARVRTFHYIGK-CPNJWEJPSA-N 422.460 3.266 10 40 HGCB COc1ccc(N2CCN(C(=O)CSc3nc4ccc(OC)cc4[nH]3)CC2)cc1 11132944 LMQZNBIELYQWFH-UHFFFAOYSA-N 412.515 3.021 10 40 HGCB COc1cc([C@H]2CC(=O)Nc3ccc4nn(-c5ccc(F)cc5)nc4c32)cc(O)c1O 96116966 KFXJPNKTQPSDOE-CQSZACIVSA-N 420.400 3.454 10 40 HGCB Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N\c3ccccc3)c(O)c12 101101585 UDCKXEFJOHLCKM-HNENSFHCSA-N 423.428 3.036 10 40 HGCB COC(=O)c1cc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)ccc1Cl 223861031 UMXJNPXGZAWCSU-UHFFFAOYSA-N 408.907 3.205 10 40 HGCB CCn1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c(=O)c2cc(C)ccc21 408712933 BZLWLUMPWKAUHW-UHFFFAOYSA-N 405.498 3.301 10 40 HGCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1cccn1-c1ccc(C(=O)O)cc1 409244035 WOZSAXSPIHHHRF-QGOAFFKASA-N 417.446 3.007 10 40 HGCB O=C(CN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccccc1C(=O)O 1854503 PGHPNBMZMIKPIE-JYRVWZFOSA-N 404.494 3.286 10 40 HGCB COc1ccc(N2CCN(C(=O)Cc3c(C)c4ccc(OC)cc4oc3=O)CC2)cc1 9423908 IWYHDRNVTCUHIV-UHFFFAOYSA-N 422.481 3.010 10 40 HGCB CCOc1cccc(N2C(=O)/C(=C\c3ccc(Br)o3)C(=O)NC2=S)c1 16693242 HUCKEKWISPDUOO-LCYFTJDESA-N 421.272 3.272 10 40 HGCB CN(Cc1c(F)cccc1Cl)C(=O)COC(=O)c1sc2ncccc2c1N 96012707 WHMXWRFIVGFCGM-UHFFFAOYSA-N 407.854 3.486 10 40 HGCB CCCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(OC)cc2)c(O)c1 6053263 OZUSQBYSXBGPIG-HXUWFJFHSA-N 411.458 3.456 10 40 HGCB O=C(O)C[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)SC1=S 8884277 PDHJTFCMQRRNGE-CWZJEYLYSA-N 421.427 3.215 10 40 HGCB O=C1/C(=C\c2cc3cc4c(cc3[nH]c2=O)OCO4)SC(=S)N1Cc1ccco1 13656016 BJPKFPBZVGNCDA-OMCISZLKSA-N 412.448 3.251 10 40 HGCB COc1cc(N2CCOCC2)c(OC)cc1CN1CCN(C)C[C@@H]1c1ccccc1 19664407 GSLRIZBNABXRCW-JOCHJYFZSA-N 411.546 3.029 10 40 HGCB CC[C@@H](c1nnnn1CCc1ccccc1)N1CCN(c2ccc(OC)cc2)CC1 57671833 TXIWRHHYCIURDQ-QFIPXVFZSA-N 406.534 3.198 10 40 HGCB O=C1N=C(O)/C(=C/NC2CCN(Cc3ccccc3)CC2)C(=O)N1Cc1ccccc1 102507889 LOQSDXNFYFUPMV-QNGOZBTKSA-N 418.497 3.243 10 40 HGCB CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(F)cc3)C2=O)ccc1O 1452256 BLKMVLQFSMMIFC-YBEGLDIGSA-N 418.471 3.476 10 40 HGCB COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccc(N(C)C)cc2)cc1 4705340 GETHGNXQSXWJJD-FQEVSTJZSA-N 404.474 3.280 10 40 HGCB COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(N)=O 9188464 MMRNKNYRMRHJKJ-YVLHZVERSA-N 414.508 3.274 10 40 HGCB Cc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)c(C)n1-c1ccc(Br)cc1F 14010983 RCZBMURTXUZQQS-QPEQYQDCSA-N 420.238 3.087 10 40 HGCB Cc1ccccc1N1C(=O)C(=CNCCN(C)C)C(=O)N(c2ccccc2C)C1=S 19995227 MAADXRNCRSDOBU-UHFFFAOYSA-N 422.554 3.003 10 40 HGCB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OC(=O)c1ccccc1 41078426 FMQOWBYXPRLKHN-YPCMJIQLSA-N 403.394 3.365 10 40 HGCB COc1cc(C)c(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)cc1C(C)C 224734395 JYZHXZWRFYWOOG-UHFFFAOYSA-N 418.559 3.442 10 40 HGCB O=C(NN1C(=O)/C(=C\c2ccc3ncccc3c2)SC1=S)c1cccc(O)c1 13721472 AUBZXEQPDLRTSE-LICLKQGHSA-N 407.476 3.487 10 40 HGCB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccccn1 100423575 UEODPWCEAIJVAC-PDGQHHTCSA-N 407.455 3.343 10 40 HGCB COc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(N(C)C)cc2)C1=O 409215514 AFPIMRQUCLZART-PDGQHHTCSA-N 411.483 3.436 10 40 HGCB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)o1 1181807 ZJEUMLDLFUGARS-ATVHPVEESA-N 405.366 3.325 10 40 HGCB CCCC[C@@H](CC)COCCCN/C=C1/C(=O)NC(=O)N(c2ccccc2)C1=O 6656835 HMOONHOADOQKQX-JFPYRBRCSA-N 401.507 3.366 10 40 HGCB C[C@H](C(=O)Nc1cccc2nonc12)N1C(=O)/C(=C/c2ccccc2)SC1=S 8489793 YOWOAXJLXAPCOM-MKVLZVNKSA-N 410.480 3.451 10 40 HGCB COc1ccc(N2CCN(C(=O)CN(Cc3ccco3)Cc3ccco3)CC2)cc1 10056700 CQZIQAOCZPWCLZ-UHFFFAOYSA-N 409.486 3.232 10 40 HGCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C)C3=O)c(NCc3ccco3)nc12 12948387 JKOGUDNVHBFFFA-ZROIWOOFSA-N 412.496 3.039 10 40 HGCB CC(=O)Nc1ccc(OS(=O)(=O)c2cccc3c2C(=O)[C@@H]2C=CC=C[C@@H]2C3=O)cc1 100815345 FOUIFQDURWZBRD-DLBZAZTESA-N 423.446 3.150 10 40 HGCB biogenic CCN1C(=O)/C(=C/c2ccc(OCC(=O)OC)c(Br)c2)SC1=S 409337992 AWFWATYJKIHCHO-GHXNOFRVSA-N 416.318 3.222 10 40 HGCB CCOC(=O)c1ccc(N/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 6242363 RTSIMANDKHVQJR-LDADJPATSA-N 407.426 3.059 10 40 HGCB C[C@@H](C(=O)N1CCCC[C@H]1CCO)N1C(=O)/C(=C/c2ccccc2)SC1=S 54360676 PMELIGHKNHXTEV-HFABTZLVSA-N 404.557 3.040 10 40 HGCB COc1ccc(N2CCN([C@H]3CC(=O)N(c4ccc(Cl)c(C)c4)C3=O)CC2)cc1 2233628 RPDYEDCJIIRYAX-FQEVSTJZSA-N 413.905 3.111 10 40 HGCB COC(=O)c1ccc(-n2c(C)cc(C(=O)CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)c2C)cc1 13148356 RRQAZVGSWUBSIT-RTBURBONSA-N 422.481 3.239 10 40 HGCB O=C(NN1C(=O)/C(=C\c2cc3ccccc3oc2=O)SC1=S)c1cccs1 16525582 PLBZFQQDZCCDIE-NTEUORMPSA-N 414.489 3.401 10 40 HGCB O=C1/C(=C\c2ccc(-c3ccccc3F)o2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 46085581 VPFUMKLSADOIMC-UJFYRASASA-N 423.512 3.474 10 40 HGCB COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cccc(O)c1 408892260 HTDOXQYLRMTJGM-UYRXBGFRSA-N 423.465 3.325 10 40 HGCB Cc1ccc(C)n1-c1ccc(C(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1 6588966 IUYPGRCEUYKHIC-HSZRJFAPSA-N 402.454 3.206 10 40 HGCB CCNC(=O)COc1ccc(/C=C2\SC(NC3CCCCC3)=NC2=O)cc1OC 7209265 ANFYFVXESJEZPK-PDGQHHTCSA-N 417.531 3.103 10 40 HGCB O=C(O)c1ccc(N[C@H]2C(=O)c3ccccc3C(=O)[C@H]2n2nnc3ccccc32)cc1 103527996 SSJPRJJVQQCSHT-UXHICEINSA-N 412.405 3.231 10 40 HGCB Nc1cc2c(O)c(/N=N\c3ccccc3)c(S(=O)(=O)O)cc2cc1S(=O)(=O)O 104366323 XLNIWISYCYGIFJ-HNENSFHCSA-N 423.428 3.036 10 40 HGCB O=C(O)CN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)C1=O 409138567 DUJDOBRSPXKCCI-AWNIVKPZSA-N 407.787 3.419 10 40 HGCB CN(C)c1ccc(N2C(=O)/C(=C/c3ccc(OCC(N)=O)cc3)SC2=S)cc1 409200032 FQFLSZJFYJRRJM-BOPFTXTBSA-N 413.524 3.023 10 40 HGCB COc1cccc(/C=C2\SC(=S)N([C@H](CCSC)C(=O)O)C2=O)c1OC 5498854 UIPQQYKDHTVJKV-NASPGAHYSA-N 413.542 3.111 10 40 HGCB Cn1nccc1[C@@H]1CC(=O)Oc2c(O)c(O)c3c(=O)cc(-c4ccccc4)oc3c21 96114383 WVDWHQWISUOYIC-LBPRGKRZSA-N 404.378 3.046 10 40 HGCB biogenic CCc1nnc(NC(=O)CCN2C(=O)/C(=C/c3cccs3)SC2=S)s1 2302214 AISSFUOXJXLNQA-NTMALXAHSA-N 410.571 3.392 10 40 HGCB O=C(COC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 102254781 QDIPBXKMKDCUFS-CKFHNAJUSA-N 401.418 3.156 10 40 HGCB CC(C)CCN1C(=O)/C(=C/N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)SC1=S 217529364 AMXRKWNJBSHPDX-DYVGXENMSA-N 403.573 3.015 10 40 HGCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OC 408868405 OHIRDQQDGJDBBS-JYRVWZFOSA-N 402.859 3.189 10 40 HGCB CCOc1cc2c(cc1/C=C1/C(=O)NC(=S)N(c3ccc(C)c(C)c3)C1=O)OCO2 409107540 RWQDHYWRPLJXJL-PXNMLYILSA-N 424.478 3.262 10 40 HGCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c(O)c1 4738854 OXRURXJZVIVVPK-LDADJPATSA-N 409.511 3.378 10 40 HGCB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)c(N4CCCC4)cc3C)C2=O)o1 109656169 AOFAVCZHNMCCCB-PDGQHHTCSA-N 423.469 3.376 10 40 HGCB O=C1NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C(=O)/C1=C\c1ccccc1OC(=O)c1ccco1 408536550 RXVMOJHGPDBJKY-KIVCMZQBSA-N 420.421 3.149 10 40 HGCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC 408807989 IQGSOAQKIUKKJE-OQLLNIDSSA-N 400.818 3.414 10 40 HGCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(OC)c1C 409137932 YPDFYTXEJYASEI-LFIBNONCSA-N 410.495 3.460 10 40 HGCB COc1ccccc1/C=C1\SC(=S)N(c2cc(C(=O)O)cc(C(=O)O)c2)C1=O 12273937 FSBHRGZNHSLZHB-DHDCSXOGSA-N 415.448 3.497 10 40 HGCB Cc1ccc(N2NC(=O)/C(=C/c3ccc(-c4ccc(C(N)=O)cc4)o3)C2=O)cc1C 32099660 NTXFGTVKGLSJDV-UNOMPAQXSA-N 401.422 3.124 10 40 HGCB O=C(O)c1ccc(N[C@@H]2C(=O)c3ccccc3C(=O)[C@H]2n2nnc3ccccc32)cc1 103527986 SSJPRJJVQQCSHT-PMACEKPBSA-N 412.405 3.231 10 40 HGCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/c3cn(CC(=O)O)c4ccccc34)C2=O)c1 4704507 NPMWGYYKKKMJOO-ZDLGFXPLSA-N 417.421 3.009 10 40 HGCB Cc1nc(COC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cs1 5262161 CXTRVRJOGUABDV-UHFFFAOYSA-N 408.391 3.492 10 40 HGCB O=C(O)c1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)cc1O 27530368 WNBKSWZBVSXRBR-GIDUJCDVSA-N 401.421 3.225 10 40 HGCB Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(Br)o3)C(=O)NC2=S)c1 408992285 SSSXEBXLUQBOIB-MDWZMJQESA-N 405.273 3.490 10 40 HGCB CCOC(=O)c1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(O)c(OC)c3)C2=O)cc1 5026023 KQFPOPYNVCLYDF-XNTDXEJSSA-N 410.382 3.084 10 40 HGCB C[C@@H](OC(=O)c1cccnc1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 6587100 QFICNRWHJMNIGN-CYBMUJFWSA-N 400.390 3.041 10 40 HGCB COc1ccc(N2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)cc1 7059933 WFEVOXDAMDTMDO-UHFFFAOYSA-N 416.421 3.105 10 40 HGCB Cc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccccc2OC(=O)c2ccco2)C1=O 408530777 FUMJGLZIQAOVJS-SSZFMOIBSA-N 416.389 3.474 10 40 HGCB CCOC(=O)Nc1cc(S(=O)(=O)Nc2ccc3c(c2)OCO3)ccc1OCC 408585355 FLHYSVFKXNRGQU-UHFFFAOYSA-N 408.432 3.183 10 40 HGCB COC(=O)c1ccc(CS(=O)(=O)NCc2ccc(N3CCCCC3)cc2)cc1 20034680 GKYFTZFZMSTNAE-UHFFFAOYSA-N 402.516 3.083 10 40 HGCB CCOc1cc(/C=C/C(=O)N2CCN(c3ccc4c(c3)OCO4)CC2)ccc1OC 408608485 NGTGVLXIYRNKIC-WEVVVXLNSA-N 410.470 3.185 10 40 HGCB COc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C1=O)OCO2 409236989 UFCMGYVEOMOOPC-LZYBPNLTSA-N 424.478 3.379 10 40 HGCB CN(Cc1ccc(N(C)C)cc1)C(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCC3 12562832 BOHZEVGGOLNJCK-UHFFFAOYSA-N 410.543 3.131 10 40 HGCB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cc(Br)ccc2O)N1 36055675 QQOJPRHJWOUWAY-YJBOKZPZSA-N 401.260 3.413 10 40 HGCB COc1cc(/C=C2\SC(Nc3ccc(F)cc3)=NC2=O)ccc1OCC(=O)O 210456138 HPLXHPLLZIGBEW-SXGWCWSVSA-N 402.403 3.380 10 40 HGCB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)o1 409238096 BZHPEHFPLDAFAW-LICLKQGHSA-N 417.377 3.015 10 40 HGCB COC(=O)C1=C(C)N(C)C2=S=C(c3ccccc3)C(=O)N2[C@@H]1c1ccc(OC)cc1 584905976 PGOQDICSCPGGOA-LJQANCHMSA-N 422.506 3.012 10 40 HGCB COc1ccccc1Oc1coc2c(CN3CCC[C@@H]3C(=O)O)c(O)ccc2c1=O 4026114 XPOQYTGPGIRHPZ-OAHLLOKOSA-N 411.410 3.349 10 40 HGCB biogenic COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NCCC(C)C 6023146 FPNKBPUVNWBAFI-QGOAFFKASA-N 400.504 3.472 10 40 HGCB NC(=O)[C@@H]1CN(C(=O)/C=C/c2ccc(N3CCCCCC3)cc2)c2ccccc2O1 12557763 QYMDHKMFZCEOEU-FZNBYNMYSA-N 405.498 3.360 10 40 HGCB Cc1ccc(OCCn2cccc2/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 13635792 MBFWLLMQLRTWSM-ZHZULCJRSA-N 419.437 3.131 10 40 HGCB COc1ccc(/C=C2\SC(=S)N(C3=C[C@@H]4OCO[C@H]4C=C3)C2=O)c(OC)c1 26771483 VYSZYEOJYFOORY-NVFYQOTGSA-N 403.481 3.100 10 40 HGCB COc1ccc(N(CC(=O)N2CCN(c3ccccn3)CC2)Cc2ccccc2)cc1 32836258 SGKBLJOGLSSTCJ-UHFFFAOYSA-N 416.525 3.446 10 40 HGCB CCN1CCCc2cc(CN3CCc4c(nc(-c5ccccn5)[nH]c4=O)C3)ccc21 72336796 RVHSVSFSGHJPTR-UHFFFAOYSA-N 401.514 3.163 10 40 HGCB Cc1ccccc1N(CC(=O)NCc1ccc(N2CCCCC2)cc1)S(C)(=O)=O 10113139 BUDZWBYUAFYSOO-UHFFFAOYSA-N 415.559 3.068 10 40 HGCB O=C1/C(=C/c2cc(I)ccc2O)SC(=S)N1C1CC1 36613117 SPOQOKVTAZQAJW-WDZFZDKYSA-N 403.266 3.360 10 40 HGCB COc1ccc([C@]2(O)CN(c3cc(OC)ccc3OC)C3=[N+]2CCCS3)c(F)c1 2965899 SNXZWCPMJJQPDJ-OAQYLSRUSA-N 419.498 3.022 10 40 HGCB O=C1c2ccccc2C(=O)c2c1ccc(C(=O)NCCc1ccccc1)c2[N+](=O)[O-] 4812343 QVFDYVTWKVQQEF-UHFFFAOYSA-N 400.390 3.343 10 40 HGCB CN1CCN([C@@H](CNC(=O)c2ccc(Cl)cc2)c2ccc(N(C)C)cc2)CC1 22589282 PKEIVDPXTADJBZ-NRFANRHFSA-N 400.954 3.125 10 40 HGCB O=C1N=C(O)/C(=C/NN2CCCCCC2)C(=O)N1c1ccc(Br)cc1 34236743 KKKBRQBPEBLWPA-KAMYIIQDSA-N 407.268 3.137 10 40 HGCB CCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)NC1=S 409391645 KKBQNQVCXAOPOL-XYOKQWHBSA-N 405.819 3.155 10 40 HGCB Cc1nnc(NC(=O)CCCN2C(=O)/C(=C/c3ccccc3)SC2=S)s1 1800184 YUQVXVWOGPXZFX-RAXLEYEMSA-N 404.542 3.467 10 40 HGCB COc1cccc2c1OC1(CCN(C(C)=O)CC1)N1N=C(c3ccc(O)cc3)C[C@H]21 7596815 GLQBBRLYEZIZMW-HXUWFJFHSA-N 407.470 3.283 10 40 HGCB COc1cc(OC)cc(C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCC2)c1 8963208 DMJCRIKXPQCNKY-QHCPKHFHSA-N 409.530 3.263 10 40 HGCB Cc1ccc(C)c(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCC2)c1 8964193 UIIIKFBGTCUHAL-QHCPKHFHSA-N 420.557 3.188 10 40 HGCB CCOC(=O)c1ccc(N2NC(=O)/C(=C/c3c(O)ccc4ccccc34)C2=O)cc1 18996987 WEZJLYMGCSAOEQ-UYRXBGFRSA-N 402.406 3.184 10 40 HGCB O=C(NCc1ccc2c(c1)OCO2)[C@@H]1Cc2ccccc2CN1Cc1ccccc1O 23157174 ODYHMIZJXORHQF-NRFANRHFSA-N 416.477 3.364 10 40 HGCB COc1ccc(N2CCN(C(=O)CCSc3nnc(-c4ccco4)o3)CC2)cc1 26019381 CFTHWQZIPYWPJH-UHFFFAOYSA-N 414.487 3.169 10 40 HGCB COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCO)c2C)c1 223578524 PFZXEUHVJHHLMZ-FGZHOGPDSA-N 422.554 3.463 10 40 HGCB COc1ccc(N2CCN(C(=O)c3cnc(Cc4ccccc4)nc3C)CC2)cc1 225795098 MWUXBRZSANKVDG-UHFFFAOYSA-N 402.498 3.347 10 40 HGCB Cc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)c(Br)c1O 5681287 JDFBHRBGWUHWSQ-UHFFFAOYSA-N 401.238 3.481 10 40 HGCB COc1cc([C@@H]2CC(c3c(C)cc4oc(=O)cc(C)c4c3O)=NN2)cc2c1OCCO2 12389320 FPYKOEABFFURIH-AWEZNQCLSA-N 422.437 3.334 10 40 HGCB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 408559142 LMJKMQXCDHSFRU-UHFFFAOYSA-N 410.923 3.258 10 40 HGCB Cn1c(/C=C2/SC(=S)N(c3ccc(O)c(C(=O)O)c3)C2=O)nc2ccccc21 5236002 DSTGNSIXXVTVND-OQLLNIDSSA-N 411.464 3.383 10 40 HGCB O=C1/C(=C/NN2CCCC[C@H]2c2cccnc2)C(O)=NC(=S)N1c1ccccc1 6898832 UCKILGJSJQZBJF-UMADGWCESA-N 407.499 3.285 10 40 HGCB COc1cccc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c1 1186251 ISMFLEZCVOEHIO-GDNBJRDFSA-N 417.284 3.289 10 40 HGCB COc1cc([C@@H](Nc2ncccn2)c2cc3c(cc2O)OCO3)cc(OC)c1OC 1586970 YPOUNHHTZWEASN-LJQANCHMSA-N 411.414 3.138 10 40 HGCB COc1ccc(-c2ccc(/C=C3\SC(=S)N(N4CCOCC4)C3=O)o2)cc1 12414292 RWZXHFKSNJHOKQ-ATVHPVEESA-N 402.497 3.404 10 40 HGCB O=C(O)CCN1C(=O)/C(=C\c2cc3cc4c(cc3nc2Cl)OCO4)SC1=S 13725790 WDJHZXBUERIRNT-WLRTZDKTSA-N 422.871 3.293 10 40 HGCB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(O)c(O)c3)[C@@H]2C(=O)N1c1ccccc1F 102760903 OOLATHWMEFKARF-HBMCJLEFSA-N 420.396 3.288 10 40 HGCB COC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)c1 260572724 RUCWTGUHZQYZBX-INIZCTEOSA-N 416.543 3.496 10 40 HGCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OC 9332240 NUQZODSKJUEHMI-RIYZIHGNSA-N 416.817 3.032 10 40 HGCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1C(C)(C)C 16268211 SPKVAXGLPQQUAK-CXUHLZMHSA-N 409.442 3.255 10 40 HGCB CCOc1ccccc1N1C(=O)N=C(O)/C(=C/Nc2ccc(NC(C)=O)cc2)C1=O 102542281 KCPNXQPJEDFXCO-VBKFSLOCSA-N 408.414 3.463 10 40 HGCB COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(OC)c1 208234132 VANIZNBCALXQKG-MHWRWJLKSA-N 400.481 3.250 10 40 HGCB Cc1cccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OC(=O)c3ccco3)C2=O)c1 408529949 DLEWCQABQZUNEF-LGMDPLHJSA-N 416.389 3.474 10 40 HGCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC)c(Cl)c3)C2=O)cc1 408780342 XQGRNQFCKVWSQC-GDNBJRDFSA-N 400.818 3.414 10 40 HGCB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(N3CCCCC3)cc2OC)C1=O 409080819 OLCQTWUZMCCYCZ-HNEYUBDGSA-N 404.488 3.283 10 40 HGCB Nc1c(NCCO)cc(NCCc2ccccc2)c2c1C(=O)c1ccccc1C2=O 6662531 DVQBPJJAUXECFK-UHFFFAOYSA-N 401.466 3.103 10 40 HGCB CCN(CC)S(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 18150489 RNUXGAQSQJLUNP-UHFFFAOYSA-N 403.548 3.055 10 40 HGCB COc1cc(/C=C2\SC(N3CCN(C)CC3)=NC2=O)ccc1OCc1ccccc1 19842427 SOXZVFQMBAPQRW-QNGOZBTKSA-N 423.538 3.492 10 40 HGCB COc1ccc(N/C=C2\C(=O)NC(=O)N(c3c(C)cc(C)cc3C)C2=O)c([N+](=O)[O-])c1 408537312 ZXTVJWXBOMYYDO-XNTDXEJSSA-N 424.413 3.107 10 40 HGCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1N1CCCCC1 409005776 VSERDXNQBGYECQ-JXAWBTAJSA-N 420.425 3.252 10 40 HGCB COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)/C1=C\c1ccccc1OC 6307920 MBEWMJCQJUDCFD-AQTBWJFISA-N 407.422 3.359 10 40 HGCB Nc1c(S(=O)(=O)O)cc(S(=O)(=O)O)c2ccc(/N=N\c3ccccc3)c(O)c12 13086462 QLIPBTNLIPOBMV-HNENSFHCSA-N 423.428 3.036 10 40 HGCB in-vitro O=S(=O)(c1ccc(F)cc1)N1CCN(Cc2c(O)ccc3ccccc23)CC1 22989684 FDEYTFGDASRZKM-UHFFFAOYSA-N 400.475 3.191 10 40 HGCB C[C@H](Oc1cccc2c1CCCC2)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 225293925 VBAUOMPZLVCHOK-IBGZPJMESA-N 407.558 3.401 10 40 HGCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3OCC)C2=O)cc1OC 409230830 GCLAUKOWPOONMS-NTCAYCPXSA-N 410.426 3.159 10 40 HGCB C[C@@H](N1C(=O)NC(=O)/C(=C\c2ccc3c(c2)OCO3)C1=O)C12CC3CC(CC(C3)C1)C2 6468810 NSCHVNBDITVXRJ-PTLRHXRUSA-N 422.481 3.482 10 40 HGCB CN(C)CCCN/C=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 13555069 XBJYQELRRYUWAK-BMRADRMJSA-N 405.527 3.472 10 40 HGCB Cc1ccc(N2C(=O)/C(=C\c3ccc(N4CCN(C)CC4)o3)C(O)=NC2=S)c(C)c1 19814457 NPFWOBHTDPPVHW-LGMDPLHJSA-N 424.526 3.320 10 40 HGCB COc1ccc(N2CCN(C(=O)COc3ccc4ccccc4c3)CC2)c([N+](=O)[O-])c1 33664533 RWTAQGFOYLIZNP-UHFFFAOYSA-N 421.453 3.484 10 40 HGCB COc1ccc(O)c(CN2CCC(c3cc(C(F)(F)F)n4ncnc4n3)CC2)c1 12188565 CYXOMDXAHITNBM-UHFFFAOYSA-N 407.396 3.237 10 40 HGCB O=C(CN1C(=O)/C(=C/c2cccc(F)c2)SC1=S)NCCc1ccc(O)cc1 13573911 UCHCEWWJMKHBSK-BOPFTXTBSA-N 416.499 3.091 10 40 HGCB CCOC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)sc2c1CC[C@H](CC)C2 169300665 BKKVYXBZSGFURC-OQCWANEVSA-N 421.515 3.256 10 40 HGCB COC(=O)Cn1c(-c2ccccc2)cnc1SCC(=O)N1CCc2ccccc21 44085938 ITMHRURNOUNVQQ-UHFFFAOYSA-N 407.495 3.405 10 40 HGCB COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(N(C)C)cc1 4705342 LYEZMQRLCFTLMM-FQEVSTJZSA-N 404.474 3.280 10 40 HGCB CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc3c(c2)CCCC3)N(C)C)cc1 5098887 BBMVRBLAYVODLG-QFIPXVFZSA-N 401.576 3.213 10 40 HGCB COc1cccc(N2C(=O)N=C(O)/C(=C/[C@@H]3C(=O)N(c4ccccc4)N=C3C)C2=O)c1 18271130 WAWZALGVVBGSPT-KMTKGMGQSA-N 418.409 3.084 10 40 HGCB Cn1ccc(/C=C2\SC(=S)N(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)c1 27229510 KGLINSVECSGZIT-MLPAPPSSSA-N 405.417 3.070 10 40 HGCB COc1ccc(N2CCN(C(=O)COc3ccc(C(C)C)cc3)CC2)c([N+](=O)[O-])c1 107614425 SYJDFWUGIPEHIP-UHFFFAOYSA-N 413.474 3.454 10 40 HGCB O=C(CN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)NCCc1ccc(O)cc1 6660973 XJXXUIKMKBKRBW-BOPFTXTBSA-N 416.499 3.091 10 40 HGCB Cc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCC2)s1 8801042 OEXXJUDNTALDAO-IBGZPJMESA-N 405.589 3.164 10 40 HGCB CN1CCCc2cc([C@H](CNC(=O)c3ccc(F)c(F)c3)N3CCOCC3)ccc21 13008340 XFBKOACCDRQXMF-QFIPXVFZSA-N 415.484 3.151 10 40 HGCB Oc1ccccc1CN1C[C@H](O)C[C@H]1c1nc(Cc2ccc(F)cc2Cl)no1 15675125 PYXNYHUEPFPEHT-WBVHZDCISA-N 403.841 3.466 10 40 HGCB biogenic,in-vitro CN1CCN(c2ccc(CNC(=S)Nc3cccc(N4CCCC4=O)c3)cc2)CC1 225777282 ABSMUCAQFWYCFB-UHFFFAOYSA-N 423.586 3.052 10 40 HGCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCc1cccc(C)c1 408805623 BCJMBHBDUMOECH-UHFFFAOYSA-N 414.845 3.376 10 40 HGCB O=C(NN1C(=O)/C(=C/c2ccc[nH]2)SC1=S)c1ccc(Br)cc1 5552844 WMFBVBJUTPYKHW-WQLSENKSSA-N 408.302 3.323 10 40 HGCB Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N(C)C)cc1C 9135449 USAVRKNHEPSOFK-JOCHJYFZSA-N 408.546 3.043 10 40 HGCB COc1ccc(-c2ccc(/C=C3\SC(=S)N(CC(=O)O)C3=O)o2)c([N+](=O)[O-])c1 13343755 QWLSTYUYOSTAGV-AUWJEWJLSA-N 420.424 3.149 10 40 HGCB COc1cccc(N2C(=O)N=C(O)/C(=C\c3c(OC)cc(OC)cc3OC)C2=O)c1 17027392 JXFQRHCOIZFTAB-LFIBNONCSA-N 412.398 3.228 10 40 HGCB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)cc1 58158722 VDFAQDAZTISBSQ-DENIHFKCSA-N 413.562 3.051 10 40 HGCB CCOc1cc(/C=C2/C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)ccc1O 8984920 YEQPKEBXIBTIJW-LQFYYXEQSA-N 422.466 3.489 10 40 HGCB COc1ccc(/C=C2/C(=N)N3N=C(N4CCC(C)CC4)SC3=NC2=O)cc1OC 41084653 KJBRPDYCXSOYIB-QBILMKHKSA-N 413.503 3.012 10 40 HGCB COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1ccc(OC)c([N+](=O)[O-])c1 59959221 DYHYSDPOPQEOLB-YVLHZVERSA-N 424.409 3.489 10 40 HGCB COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3nnc(N)s3)c2C)cc1 3542619 VGCUENUDUMOWSH-UHFFFAOYSA-N 402.501 3.289 10 40 HGCB O=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC(=S)N1N1CCOCC1 12414288 FEGHOPXUUNDFTC-LFIBNONCSA-N 417.468 3.303 10 40 HGCB COc1ccc(N2C(=O)NC(=O)/C(=C/NNc3cc(Cl)ccc3Cl)C2=O)cc1 408526323 AYLFQEVJPKXFBX-LCYFTJDESA-N 421.240 3.085 10 40 HGCB COc1ccccc1N1C(=O)NC(=O)/C(=C\NNc2cc(Cl)ccc2Cl)C1=O 408528458 GBYKDDMUMOBXEK-PKNBQFBNSA-N 421.240 3.085 10 40 HGCB COc1ccc(N2CCN([C@@H](c3ccccc3F)c3nnnn3C(C)(C)C)CC2)cc1 20139728 FFAKKXNGZUPMLV-NRFANRHFSA-N 424.524 3.487 10 40 HGCB C/C=C/c1ccc(OC[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)c(OC)c1 23115567 YYCHQQVBPGQATK-FNEOHHHZSA-N 412.530 3.299 10 40 HGCB COc1cc(/C=C2/C(=N)N3N=C(c4cccs4)SC3=NC2=O)cc(OC)c1O 41077893 GUUSDGGALWQLFX-JEDBZNQQSA-N 414.468 3.138 10 40 HGCB O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(N2CCCCS2(=O)=O)cc1 224380256 OWJPMRJNVBBYPX-UHFFFAOYSA-N 413.543 3.147 10 40 HGCB CCN(CC)c1ccc(CNC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 224788861 ZJEGXVYDZFVJKQ-UHFFFAOYSA-N 417.575 3.232 10 40 HGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccc([N+](=O)[O-])c(C)c3C)C2=O)c(C)c1 408526229 BDGRQICLKIRHTP-XNTDXEJSSA-N 408.414 3.407 10 40 HGCB O=C1/C(=C\c2ccc(Cl)cc2)SC(=S)N1NS(=O)(=O)c1ccccc1 1300993 YSSXKLSQJQVUIG-GXDHUFHOSA-N 410.929 3.435 10 40 HGCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\c1ccc(N2Cc3ccccc3C2)cc1 5900125 PQXLOOSMGVTQPK-MTJSOVHGSA-N 413.433 3.462 10 40 HGCB COc1ccccc1C(=O)NN1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S 8625536 GFENADIGNGAIBV-GDNBJRDFSA-N 410.480 3.118 10 40 HGCB O=C1NC(=S)N(Cc2ccc(F)cc2)C(=O)/C1=C/NNc1cccc2ccccc12 9456763 VPOWGMJPDIOOOU-LDADJPATSA-N 420.469 3.223 10 40 HGCB COc1ccc(/C=C2\SC(=S)N([C@H]3CC(=O)N(c4ccccc4)C3=O)C2=O)cc1 12622656 GLFJCAHYRICIAR-FDIDWWNZSA-N 424.503 3.229 10 40 HGCB CC(C)OC(=O)COc1ccc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 34869840 DWLSOZMROSPKLN-BOPFTXTBSA-N 414.845 3.132 10 40 HGCB Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C/c2ccc(O)cc2)C1=O 408900785 UZNWZRBJFJNBAQ-ZROIWOOFSA-N 401.216 3.130 10 40 HGCB Cc1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 409207078 OINBSVGEJMFXJA-ODLFYWEKSA-N 422.441 3.407 10 40 HGCB O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)Nc1cccc(F)c1 6427767 BPWBMWMGYOUEOJ-UHFFFAOYSA-N 403.365 3.397 10 40 HGCB COc1ccc(OCCSCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 6831670 OKHSFSVKDVKIOT-UHFFFAOYSA-N 416.543 3.165 10 40 HGCB CCN(CC)/N=N/c1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1 9969841 PFNWXXQCJNIYMV-LQTLECTNSA-N 404.492 3.001 10 40 HGCB CN(C)c1ccc(/C=C2/C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)cc1 17145952 LVAXXAFEOCORQP-GAGNZYIBSA-N 405.483 3.451 10 40 HGCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc(Cl)c1OC 409251912 QZXWSQCFHNZDPC-MDWZMJQESA-N 416.886 3.497 10 40 HGCB CCN(CC)c1ccc(/C=C2/C(=O)NC(=O)N(Cc3ccc(F)cc3)C2=O)c(O)c1 4817165 PVIQKBHTNPHQMU-WQRHYEAKSA-N 411.433 3.040 10 40 HGCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3nc4ccccc4n3C)SC2=S)cc1 8869983 JPFXXEXKQZAXEC-LFIBNONCSA-N 424.507 3.128 10 40 HGCB Cn1c(SCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)nnc1C1CC1 13135345 IZMLENOQEXQKIW-UHFFFAOYSA-N 418.478 3.199 10 40 HGCB C[C@H]1CN(C(=O)CN(Cc2cccs2)c2ccc3c(c2)OCCO3)C[C@@H](C)O1 96982677 RHAWXTFDJHSTQS-IYBDPMFKSA-N 402.516 3.162 10 40 HGCB COc1cc(N2C(=O)NC(=O)/C(=C\c3ccc(C)cc3)C2=O)c(OC)cc1Cl 408778071 ADFXUJNQIZIORY-MDWZMJQESA-N 400.818 3.332 10 40 HGCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1Cl 408781436 SJHJQCRQCNFVPA-XNTDXEJSSA-N 400.818 3.414 10 40 HGCB CCOc1ccc(C(=O)O)cc1/C=C1\C(=O)NC(=O)N(c2ccc(CC)cc2)C1=O 408821123 CSSHVSDPJQBMFE-SFQUDFHCSA-N 408.410 3.012 10 40 HGCB Cc1cc(C(=O)[C@@H](C)Sc2nc(N)nc(N)n2)c(C)n1-c1ccc(Cl)cc1 5635891 LCXLPXHMLZFDFM-LLVKDONJSA-N 402.911 3.460 10 40 HGCB CN(C)c1ccc(N2C(=O)/C(=C\c3ccc4c(c3)n(C)c(=O)n4C)SC2=S)cc1 13955250 JOGMTOOMNGPFQZ-LDADJPATSA-N 424.551 3.349 10 40 HGCB COc1cc(OC)c(OC)cc1/C=C1/C(=O)N=C(O)N(c2ccc(C)c(C)c2)C1=O 8738826 GDQZVWPTOPKPIF-SXGWCWSVSA-N 410.426 3.200 10 40 HGCB O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 44910842 OPEFAKGGHXGRFR-NRFANRHFSA-N 411.521 3.191 10 40 HGCB COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCO)c2C)c1 223578624 PFZXEUHVJHHLMZ-FCHUYYIVSA-N 422.554 3.463 10 40 HGCB CCOc1cc2c(cc1/C=C1/C(=O)NC(=S)N(c3cccc(C)c3C)C1=O)OCO2 409098804 QLAJCVIPRASBQA-NVNXTCNLSA-N 424.478 3.262 10 40 HGCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(OC)c1O 409246958 LQVUTKLGQLIWOR-KPKJPENVSA-N 416.817 3.038 10 40 HGCB Cn1c(NNC(=S)Nc2ccccc2)nc2sc3c(c2c1=O)CC(C)(C)OC3 2275608 BVPBCKYYBLUSOB-UHFFFAOYSA-N 415.544 3.160 10 40 HGCB Cc1cc(C)n2nc(C(=O)OCC(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)nc2n1 3347964 LHBPHOZWXWJJGM-UHFFFAOYSA-N 421.432 3.327 10 40 HGCB CCOc1cc2c(cc1/C=C1/C(=O)NC(=O)N(c3ccc(CC)cc3)C1=O)OCO2 4679768 SNZMZTBAHSQXFJ-SXGWCWSVSA-N 408.410 3.043 10 40 HGCB O=C1NC(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/NNc1cccc2ccccc12 5218449 NUBZSYOLKYWCSL-LDADJPATSA-N 404.401 3.058 10 40 HGCB Cc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)n(C)c(=O)n4C)n2)cc1 11615513 YFDZROLBKRSYNM-UHFFFAOYSA-N 414.512 3.110 10 40 HGCB CCOC(=O)C1=C(CN(C)Cc2ccc(N(C)C)cc2)NC(=O)N[C@H]1c1ccccc1 57270708 ONVOVSIOPMECIP-QFIPXVFZSA-N 422.529 3.056 10 40 HGCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccccc1O 223578177 VPFBDEYXZHUBFH-SFTDATJTSA-N 408.527 3.160 10 40 HGCB COc1cccc(/C=C2\SC(=S)NC2=O)c1OS(=O)(=O)c1ccc(C)cc1 408887917 UVOPBUPIPUSVSH-GDNBJRDFSA-N 421.521 3.260 10 40 HGCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccncc1 409024313 QEVRTWXQPSVATA-YBFXNURJSA-N 420.469 3.460 10 40 HGCB COc1cc(/C=C2\SC(Nc3ccccc3C(=O)O)=NC2=O)cc(OC)c1OC 5213996 GDOVXJCIPCHFCG-YBEGLDIGSA-N 414.439 3.493 10 40 HGCB COc1ccc(N2CCN(C(=O)COc3ccc(Cl)c(C)c3)CC2)c([N+](=O)[O-])c1 5986683 FKSAKMBIMXANQI-UHFFFAOYSA-N 419.865 3.293 10 40 HGCB CN(C)c1ccc(CNC(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)cc1 12550538 QMYQCVYDUQENRV-UHFFFAOYSA-N 405.285 3.086 10 40 HGCB COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCc1cccc2ccccc12 59426472 YEXWUGGXIOMVKE-UHFFFAOYSA-N 418.474 3.342 10 40 HGCB O=C(CN1C(=O)/C(=C/c2ccccc2F)SC1=S)NCCc1ccc(O)cc1 5348865 HGHHEVZXYJNVEU-BOPFTXTBSA-N 416.499 3.091 10 40 HGCB CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1cc(C(F)(F)F)ccc1Cl 13654326 SGXNVUGBKOKTTH-ZWIPKHHJSA-N 421.828 3.060 10 40 HGCB O=C1NC(=O)C(=Cc2cc([N+](=O)[O-])ccc2Sc2cccc3cccnc23)C(=O)N1 59488616 IMZRGKGAZNAOGL-UHFFFAOYSA-N 420.406 3.044 10 40 HGCB Cc1cccnc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c1C 223584322 GVIXUSQSWSGSGN-UXHICEINSA-N 407.543 3.157 10 40 HGCB CCOc1cc(/C=C2\C(=O)NN(c3ccc(Br)cc3)C2=O)ccc1O 1215983 ILHSUMFQRJAXRQ-NTEUORMPSA-N 403.232 3.015 10 40 HGCB O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(Br)cc1 4723784 GNVXUYWHOOZUMC-NTEUORMPSA-N 405.248 3.420 10 40 HGCB COc1cc(C)c(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC 408549629 VXXCJIYFEFWPGN-OQLLNIDSSA-N 416.886 3.497 10 40 HGCB CN1C(=O)/C(=C2\SC(=S)N(c3ccc(CC(=O)O)cc3)C2=O)c2ccccc21 4291579 RFERIEWTJLRUSX-MSUUIHNZSA-N 410.476 3.066 10 40 HGCB O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1CC(=O)N(CCO)c1ccccc1 16712742 KLVMNAHAQPTQKX-FWANDEGBSA-N 424.547 3.470 10 40 HGCB COc1ccc(OC)c(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)c1 223710042 IEXBKKJNETZFOK-MRXNPFEDSA-N 404.532 3.419 10 40 HGCB CCN(CC)c1ccc(CNC(=O)[C@H](C)N(c2ccccc2F)S(C)(=O)=O)cc1 224418674 LZQFAUNKDUOHKD-INIZCTEOSA-N 421.538 3.143 10 40 HGCB CCOc1ccc(N2C[C@](O)(c3ccc(OC)cc3F)[N+]3=C2SCCC3)cc1 2965993 YWGBHPUTEGBGFF-NRFANRHFSA-N 403.499 3.404 10 40 HGCB CCc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCC2)cc1 4330560 RYRWKNNBEMUKLV-QFIPXVFZSA-N 408.546 3.207 10 40 HGCB CC(C)OC(=O)Cn1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c2ccccc21 5977108 VVPPSTWLJMCWTO-XDHOZWIPSA-N 403.438 3.054 10 40 HGCB COc1ccc(N2CCN(CCCNC(=O)c3ccccc3OC(F)F)CC2)cc1 28065208 KPZWUOXGDZARCU-UHFFFAOYSA-N 419.472 3.239 10 40 HGCB O=C(O)c1ccc(N2C(=O)/C(=C/c3ccc(-n4cncn4)cc3)SC2=S)cc1 96993386 ISGNBVXGYYUOQS-SXGWCWSVSA-N 408.464 3.371 10 40 HGCB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 224687930 PKVWOVJMGPXVMK-LJQANCHMSA-N 407.558 3.401 10 40 HGCB COc1ccc(/C=C2/SC(=S)N(NC(=O)c3cccc([N+](=O)[O-])c3)C2=O)cc1 2196670 BOGOKEIYOCUUOF-OQLLNIDSSA-N 415.452 3.150 10 40 HGCB COc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(Br)c2)C1=O 408741485 MGSWHNNKCPLODJ-NTEUORMPSA-N 401.216 3.124 10 40 HGCB O=C1NC(=O)C(=Cc2cc(Br)ccc2Cc2ccccc2Cl)C(=O)N1 408876933 RCWJTHKQWGDFGY-UHFFFAOYSA-N 419.662 3.443 10 40 HGCB COC(=O)Cn1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c2ccccc21 409133193 MXABYMWYESKYTB-DUPVFGOHSA-N 416.524 3.195 10 40 HGCB CC(C)C12CN3CC(C(C)C)(CN(C1)C3c1ccc(Br)cc1O)C2O 19323139 ZMONXTLCRZNSKN-UHFFFAOYSA-N 409.368 3.444 10 40 HGCB biogenic O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\Nc1ccc(OCc2ccccc2)cc1 408547100 VXIGNSYAGSGXJD-MOSHPQCFSA-N 417.421 3.433 10 40 HGCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1Br 845439 IKGKTOMPGISCRF-UKTHLTGXSA-N 415.243 3.433 10 40 HGCB CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C/Nc1ccc(S(=O)(=O)N(C)C)cc1 5442693 DHQWQSFOKQPKMU-CPNJWEJPSA-N 412.515 3.272 10 40 HGCB CCN(CC)c1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc1 12363813 ZWQLYHMPEUMPOB-RGEXLXHISA-N 409.511 3.373 10 40 HGCB O=C(COc1ccccc1/C=C1/C(=O)NN(c2ccccc2)C1=O)Nc1ccccc1 33827186 UBAAUCDCEDWOSI-HKWRFOASSA-N 413.433 3.166 10 40 HGCB C[C@H](Oc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl)C(=O)O 108234845 GDHAUBSEAWKPAY-BNDQCTAISA-N 421.236 3.307 10 40 HGCB CN1CCc2cc([C@@H](CNS(=O)(=O)c3ccc(F)cc3F)N3CCCC3)ccc21 8801036 FVNYBRCDPWRPBI-HXUWFJFHSA-N 421.513 3.073 10 40 HGCB CC(=O)N1CCN(c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)CC1 32956459 FLJKGNQXCNBKAC-UHFFFAOYSA-N 401.894 3.334 10 40 HGCB COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCO)c2C)cc1 223578894 YYRSFCMNPXIQQE-FCHUYYIVSA-N 422.554 3.463 10 40 HGCB CCc1nnc(N/C=C2\C(=O)N(c3ccc(Br)cc3C)N=C2C)s1 408533131 ODLGRICMXQUKFI-WQLSENKSSA-N 406.309 3.890 10 40 HGCB COc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3ccccc3O)[C@H]2C1=O 4936221 ZGNWMGQGNCLURU-VSKRKVRLSA-N 416.433 3.452 10 40 HGCB CC(C)c1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N(C)C)cc1 8964018 UMKNNMXYTAKUQS-JOCHJYFZSA-N 408.546 3.160 10 40 HGCB COC(=O)COc1ccc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)cc1 59136013 YUDOKQCBQFUBGL-GXDHUFHOSA-N 414.414 3.049 10 40 HGCB Cc1ccnc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)N4CCCC4)C3=O)c2C)c1 408550330 GAOCUXNCDBZESV-LDADJPATSA-N 424.526 3.456 10 40 HGCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(OC)c1C 409221571 SDCAUOVITQODHL-JLHYYAGUSA-N 416.886 3.497 10 40 HGCB COc1cccc2nc(C[C@H]3CN(Cc4ccccc4O)CC[C@H]3CC(=O)O)[nH]c12 514288897 LFIVSHAJNOCNRL-RDJZCZTQSA-N 409.486 3.433 10 40 HGCB biogenic,in-vitro Cc1ccc(-n2c(C)cc(C(=O)CN3C(=O)C(=O)N(C4CCCC4)C3=O)c2C)cc1 3381131 KPWWYSYIWKANNZ-UHFFFAOYSA-N 407.470 3.319 10 40 HGCB O=C(O)COc1ccccc1/C=C1/SC(=S)N(c2ccc(C(=O)O)cc2)C1=O 33381677 BDJDIGRUOXWYDW-OQLLNIDSSA-N 415.448 3.254 10 40 HGCB COC(=O)c1ccc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc1 409338327 HVKHHBLCERMINK-UKTHLTGXSA-N 404.494 3.081 10 40 HGCB O=C(O)COc1ccc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 409346671 NITBIPGAHKLCEJ-DHDCSXOGSA-N 416.436 3.464 10 40 HGCB O=C(NCc1ccc2c(c1)OCO2)[C@H]1Cc2ccccc2CN1Cc1ccccc1O 23157171 ODYHMIZJXORHQF-OAQYLSRUSA-N 416.477 3.364 10 40 HGCB CCNc1nc(NCC)n2c(SCC(=O)Nc3cc(Cl)ccc3C)nnc2n1 4570519 KQLWKKUGQOAYSJ-UHFFFAOYSA-N 420.930 3.076 10 40 HGCB COc1ccc(CN[C@@H]2COC[C@H]2Cc2cc(C)no2)cc1Cn1nc(C)cc1C 12366578 GUWWAYVAOKWWNI-IFMALSPDSA-N 410.518 3.201 10 40 HGCB COc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3ccccc3O)[C@@H]2C1=O 100884950 ZGNWMGQGNCLURU-BDTNDASRSA-N 416.433 3.452 10 40 HGCB COc1ccc(OC)c(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c1 409237795 JNDOXIZJGHDORD-GXDHUFHOSA-N 400.818 3.332 10 40 HGCB Cc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)(C)C)C2=O)ccc1N1CCOCC1 4933350 IXIHLFFSCINLEZ-SFQUDFHCSA-N 418.515 3.210 10 40 HGCB COC(=O)CN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 210097918 LLPKPTMSSIWYCH-ZSOIEALJSA-N 404.425 3.229 10 40 HGCB COc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1 408874529 DDZZDLYBCFFWRR-CXUHLZMHSA-N 415.243 3.433 10 40 HGCB CN1C(=O)/C(=C\c2cn(CC(=O)N3CCCCCC3)c3ccccc23)C(O)=NC1=S 33939588 YYVPHAIICHYQRH-ATVHPVEESA-N 424.526 3.141 10 40 HGCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccccn1 223607674 ZUJFIFVOTLXDDB-RTWAWAEBSA-N 407.543 3.239 10 40 HGCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Br 408843856 HICJQDMUGHWYLF-MDWZMJQESA-N 419.206 3.263 10 40 HGCB O=C(O)C[C@H](C(=O)O)N1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S 4357068 DAXASHYCRHBKQQ-BABIGQSTSA-N 406.268 3.123 10 40 HGCB CC(=O)Nc1ccc(OS(=O)(=O)c2cccc3c2C(=O)c2ccccc2C3=O)cc1 8441019 ZFQNFRYYAFNIBZ-UHFFFAOYSA-N 421.430 3.188 10 40 HGCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cccc(OC)c3)C2=O)cc1OC 409149233 ZLRUHVZFHVCDRR-PDGQHHTCSA-N 424.453 3.155 10 40 HGCB COc1ccc(N2C(=O)/C(=C/c3cn(C(C)=O)c4ccccc34)C(=O)NC2=S)cc1 712440 MZCBTUKHBLHMNI-WOJGMQOQSA-N 419.462 3.141 10 40 HGCB Cc1oc2c(c1C(=O)N1CCN(Cc3ccccc3)CC1)C(=O)c1ccccc1C2=O 19880781 BXIZAWWMGFCWBL-UHFFFAOYSA-N 414.461 3.321 10 40 HGCB Nc1c(Br)cc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C2=O)cc1Br 102673126 RFUAVFVYQXLPRN-DOZNWIKDSA-N 412.081 3.105 10 40 HGCB CCCOC(=O)c1ccc(N/C=C2\C(=O)NC(=O)N(c3ccccc3CC)C2=O)cc1 408530178 IXNDPSOZKXEHAY-NBVRZTHBSA-N 421.453 3.395 10 40 HGCB COc1cc(N2CCCC2)ccc1/C=C1/SC(=O)N(CC(=O)OC(C)C)C1=O 409099368 QQCJKXIEBQZKJL-LICLKQGHSA-N 404.488 3.283 10 40 HGCB CCc1ccc(/C=C2\C(=O)NN(c3ccc(I)cc3)C2=O)cc1 659527 VFVJXDBBMLCXDG-LFIBNONCSA-N 418.234 3.315 10 40 HGCB COc1ccc(N2CCN(CCCn3c(=S)[nH]c4ccccc4c3=O)CC2)cc1 4113210 XHRHGDGNDWREOG-UHFFFAOYSA-N 410.543 3.280 10 40 HGCB C[C@@H](C(=O)N1CCCC[C@H]1CCO)N1C(=O)/C(=C/c2cccs2)SC1=S 6660951 ONSBQOPWWHENMZ-UCASCVRBSA-N 410.586 3.101 10 40 HGCB COc1ccccc1/C=C1/C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O 16228330 HLRFRYYKQBOUQB-UVTDQMKNSA-N 417.284 3.289 10 40 HGCB COC(=O)c1cccc(NC(=S)NCc2ccc(N3CCN(C)CC3)cc2)c1C 225776575 BSKWPFPMUBEIAA-UHFFFAOYSA-N 412.559 3.020 10 40 HGCB C[C@H](C(=O)O)n1ccc2cc(/C=C3\C(=O)NC(=O)N(c4ccccc4F)C3=O)ccc21 409194133 OFMHWWFHMIXTFL-PKVLTRFUSA-N 421.384 3.092 10 40 HGCB CC(C)n1cnnc1SCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 13135363 LVXNXCXMJPXMLT-UHFFFAOYSA-N 406.467 3.365 10 40 HGCB COc1ccc(N2CCN(C(=O)CNc3cc(OC)c(OC)cc3Cl)CC2)cc1 40039040 JQNYVNMXTBANTA-UHFFFAOYSA-N 419.909 3.127 10 40 HGCB N=C1/C(=C/c2cccn2-c2nnc(-c3ccccc3)s2)C(=O)N=C2SC=NN12 41076634 WLOMSGNXXLQSBJ-KWWXOIQGSA-N 405.468 3.245 10 40 HGCB CCCCCCN1C(=O)NC(=O)/C(=C\c2cc(Br)ccc2OC)C1=O 59417338 VNTJCVLCCQKAPE-SDNWHVSQSA-N 409.280 3.500 10 40 HGCB COc1cc(/C=C2\SC(Nc3ccc(Cl)cc3)=NC2=O)ccc1OCC(N)=O 107714861 FTFHNTJUOBBTAL-SXGWCWSVSA-N 417.874 3.295 10 40 HGCB COc1ccc(N2CCN(C(=O)COc3ccc4c(C)cc(=O)oc4c3C)CC2)cc1 6670296 UHATVJBESXIFPY-UHFFFAOYSA-N 422.481 3.146 10 40 HGCB COc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)n(C)c(=O)n4C)SC2=S)cc1 6925482 PQQZKGWYUKBQGU-GZTJUZNOSA-N 411.508 3.291 10 40 HGCB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)Cc2ccc3c(c2)OCCO3)cc1 8428291 XPFKVRQGFULKCP-OAQYLSRUSA-N 410.514 3.274 10 40 HGCB COc1ccc(N2CCN(C[C@H](O)CO[C@H]3C(C)(C)[C@H]4CC[C@@]3(C)C4)CC2)cc1 229949433 WEAXTKZCSPKKGW-NHTRMHBPSA-N 402.579 3.410 10 40 HGCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 15974338 HBQDRKOBITVCSL-YBEGLDIGSA-N 410.390 3.343 10 40 HGCB COc1ccc(Br)cc1/C=C1\SC(=S)N(CCC(=O)O)C1=O 1902186 XTMVRPACBQNIRI-XFFZJAGNSA-N 402.291 3.134 10 40 HGCB CN1C(=O)C(=Cc2cn(CCOc3ccccc3F)c3ccccc23)C(=O)N(C)C1=O 2313918 GUBIWAVAKUACKM-UHFFFAOYSA-N 421.428 3.293 10 40 HGCB O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc2c(c1)OCO2 2701125 SXZWGVNNSYAQTR-VGOFMYFVSA-N 404.494 3.317 10 40 HGCB COc1ccc(N2C[C@](O)(c3ccc(OC(F)F)cc3)[N+]3=C2SCCC3)cc1 2965940 BBBGUDKQMQBMNI-FQEVSTJZSA-N 407.462 3.467 10 40 HGCB O=C1NC(=S)N(c2cccc(F)c2)C(=O)/C1=C\c1cc2c3c(c1)CCCN3CCC2 9379945 IAJHPZRXNKORPO-UNOMPAQXSA-N 421.497 3.356 10 40 HGCB O=C1/C(=C\N2CCN(CCc3ccccn3)CC2)SC(=S)N1c1ccccc1 32060021 RUNLKAINUYXJKQ-KNTRCKAVSA-N 410.568 3.148 10 40 HGCB CC1=NN(c2ccc3nnc(C)n3n2)C(=O)/C1=C/Nc1cccc(C(F)(F)F)c1 36358982 OWCMEJZQWQYFKO-NTEUORMPSA-N 401.352 3.170 10 40 HGCB COc1ccc(N2CCN(C(=O)CCc3nc(-c4cccc(OC)c4)no3)CC2)cc1 225824794 BHVFDKDWGHJYHH-UHFFFAOYSA-N 422.485 3.035 10 40 HGCB O=C1NC(=S)NC(=O)C1=Cc1ccccc1OCc1ccc(Cl)c(Cl)c1 408872751 IEBXWYIKKZFSGF-UHFFFAOYSA-N 407.278 3.487 10 40 HGCB CSc1nc(N)c(/N=N/c2ccc(S(=O)(=O)Nc3nccs3)cc2)c(O)n1 17021133 LEARIZDNZMQESK-FMQUCBEESA-N 423.505 3.159 10 40 HGCB COc1ccc(N2CCN(S(=O)(=O)c3ccccc3OC(F)(F)F)CC2)cc1 34379746 ATBSPDMTMJIMSC-UHFFFAOYSA-N 416.421 3.105 10 40 HGCB COc1ccc(N2CCN(CCNC(=O)COc3ccc4ccccc4c3)CC2)cc1 56997156 WEJZPJADXYKLFE-UHFFFAOYSA-N 419.525 3.166 10 40 HGCB Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCO)c2C)nc1 223584631 QDBLISWQKNTSOY-LEWJYISDSA-N 407.543 3.157 10 40 HGCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)cc(OC)c3)C2=O)cc1 408872011 JAZCGCFNYLRSEL-LICLKQGHSA-N 400.818 3.414 10 40 HGCB COc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc(OC)c1OC 2276716 UCDWLORSGLWTGD-RIYZIHGNSA-N 400.362 3.358 10 40 HGCB COc1cccc(N2C(=O)NC(=O)/C(=C/N3c4ccc(F)cc4CC[C@@H]3C)C2=O)c1 96237518 VDMOFCFXNZTUFD-CYUIRQCWSA-N 409.417 3.142 10 40 HGCB CN(C)c1ccc([C@@H]2NC(=S)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccccc2)cc1 106213820 QSIQWSAIMXTUAU-TXPKVOOTSA-N 423.460 3.021 10 40 HGCB CC1=C(C(=O)OCC(F)(F)C(F)(F)F)[C@H](c2ccc(N(C)C)cc2)NC(=O)N1 863159 XLFUSLOQQJDCKB-ZDUSSCGKSA-N 407.339 3.121 10 40 HGCB COc1ccc(N2CCN(C(=O)c3cccc(I)c3)CC2)cc1 3547550 VIKISSNILGWTIY-UHFFFAOYSA-N 422.266 3.262 10 40 HGCB O=C1/C(=C/c2cccc(F)c2)SC(=S)N1CCC(=O)N1CCCC[C@H]1CCO 9215874 DRSWXGHFNPDGBV-MUBYSKIDSA-N 422.547 3.181 10 40 HGCB COc1cc(NC(=O)c2ccc(Br)o2)c(N2CCOCC2)cc1OC 12324158 DJGQCBFTXOVESA-UHFFFAOYSA-N 411.252 3.148 10 40 HGCB COc1cccc(CN2CCC[C@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)c1O 19567181 FMRWNJZYMJHRPO-ZDUSSCGKSA-N 410.923 3.232 10 40 HGCB COc1ccc(/C=C2\SC(=S)N(C3=C[C@@H]4OCO[C@@H]4C=C3)C2=O)c(OC)c1 26771481 VYSZYEOJYFOORY-RPSVSYSTSA-N 403.481 3.100 10 40 HGCB COc1ccc(N2CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)c([N+](=O)[O-])c1 33683663 PFYHDEXGNWVUIM-UHFFFAOYSA-N 420.809 3.127 10 40 HGCB CN1C(=O)/C(=C/c2cn(CC(=O)NCc3ccco3)c3ccccc23)SC1=S 409127356 CXIOFBGWPBMROC-MFOYZWKCSA-N 411.508 3.382 10 40 HGCB CCOC(=O)CN1C(=O)S/C(=C\c2ccc(N(C)C)c(Br)c2)C1=O 4688151 ZDBWBWFYWPVCEH-JYRVWZFOSA-N 413.293 3.115 10 40 HGCB COC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)C1=O 205669307 VUBNKDMGVROYOR-CXUHLZMHSA-N 414.439 3.002 10 40 HGCB Cc1cc(C)c(N2C(=O)/C(=C/c3ccc(N4CCOCC4)cc3)C(=O)N=C2O)c(C)c1 2442361 VJKMHAOQNYKZQV-XSFVSMFZSA-N 419.481 3.319 10 40 HGCB COc1cc([C@H](Nc2ncccn2)c2cc3c(cc2O)OCO3)cc(OC)c1OC 3053393 YPOUNHHTZWEASN-IBGZPJMESA-N 411.414 3.138 10 40 HGCB CC[C@@H](NC(=O)CCN1C(=O)/C(=C\C(C)=C\c2ccccc2)SC1=S)C(=O)O 5374995 AQOMSKUIBKFEAI-NKUXHIIISA-N 418.540 3.204 10 40 HGCB CCOc1ccccc1N1C[C@](O)(c2cccc([N+](=O)[O-])c2)[N+]2=C1SCCC2 27525062 LXKWRBDPGQZMCO-FQEVSTJZSA-N 400.480 3.164 10 40 HGCB O=S(=O)(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccccc1F 56099416 BQAVMDHCFPOWEW-UHFFFAOYSA-N 418.412 3.160 10 40 HGCB O=C1NC(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/NCc1cccs1 101653084 NTCQJSJWIYVWBA-DHZHZOJOSA-N 412.323 3.476 10 40 HGCB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(N2CCCC2)c(F)c1 409099375 QTOOTYTWMSQIPY-SDNWHVSQSA-N 413.449 3.396 10 40 HGCB COc1ccc(N2CCN(C[C@@H](O)COc3ccccc3Br)CC2)cc1 26781829 ANHLVIDTQKYXNV-QGZVFWFLSA-N 421.335 3.020 10 40 HGCB Cc1cc(C(=O)CN2C(=O)NC(C)(C)C2=O)c(C)n1-c1ccc(OC(F)F)cc1 32910384 CDONVRXDKKKFRO-UHFFFAOYSA-N 405.401 3.209 10 40 HGCB O=C1N/C(=C\c2ccc(N3CCOCC3)c(F)c2)C(=O)N1Cc1ccc(Cl)cc1 409129315 GGJNBDRGICOPFO-PDGQHHTCSA-N 415.852 3.409 10 40 HGCB O=C1NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(N2CCOCC2)cc1 974177 HZQIQKXLEVELLW-LDADJPATSA-N 417.387 3.003 10 40 HGCB Cc1cc(NC(=O)COC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)no1 10732274 GDYVJNZRLWSXDY-UHFFFAOYSA-N 424.796 3.207 10 40 HGCB Cc1cc(C(=O)COC(=O)[C@]23CCC(=O)N2CCS3)c(C)n1-c1cccc(F)c1 12548864 KFDXLMDCNOVOJQ-OAQYLSRUSA-N 416.474 3.025 10 40 HGCB Cc1cnc(C(=O)N(Cc2ccco2)C2CCN(c3ccc4c(c3)OCO4)CC2)cn1 72342409 ANWKRGDCSVOVTI-UHFFFAOYSA-N 420.469 3.418 10 40 HGCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(C(F)(F)F)cc1 408956488 XKVAZYIWSLPXNG-NTUHNPAUSA-N 404.300 3.101 10 40 HGCB O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C/c1cccc(I)c1 725483 UAPDJRFIZUXZLU-RIYZIHGNSA-N 424.625 3.406 10 40 HGCB Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C)C3=O)c(N3CCC(C)CC3)nc12 1255053 DQRKBSKIVVZSBW-RVDMUPIBSA-N 414.556 3.070 10 40 HGCB Cc1ccc2nc(NCc3ccco3)c(/C=C3\SC(=S)N(C)C3=O)c(=O)n2c1 15229583 ZHMMXXWJZCDPKX-ZSOIEALJSA-N 412.496 3.039 10 40 HGCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/Nc1ccc(C(=O)N2CCOCC2)cc1 18038401 XSPHHJCBJOZEKZ-RCCKNPSSSA-N 404.470 3.186 10 40 HGCB CCN1CCc2cc(CN3CC[C@@](Cc4cc(C(C)C)no4)(C(=O)NC)C3)ccc21 19739160 ZVQNIUJVEKMQKJ-DEOSSOPVSA-N 410.562 3.361 10 40 HGCB C/C(NC[C@@H]1CCCO1)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 112126527 JYENOBJBBKABLJ-RVPSJEOCSA-N 406.442 3.388 10 40 HGCB COc1ccccc1N1C[C@](O)(c2ccc(OC(F)F)cc2)[N+]2=C1SCCC2 3236910 WMDLYZCLASGEIZ-FQEVSTJZSA-N 407.462 3.467 10 40 HGCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(Cl)c1O 6354863 HVTZPXVHJWXMSG-MDWZMJQESA-N 400.818 3.419 10 40 HGCB CN1CCc2cc([C@H](CNS(=O)(=O)Cc3ccc(F)cc3)N3CCCC3)ccc21 8801123 VHIHSFYSJVUQTM-QFIPXVFZSA-N 417.550 3.075 10 40 HGCB COCCCNC(=O)c1c(NS(=O)(=O)c2cccs2)sc2c1CCCC2 28249676 USAJZMTZKBAKDJ-UHFFFAOYSA-N 414.574 3.256 10 40 HGCB Cc1cccc(N2C(=O)/C(=C/c3cc(C)n(C[C@@H]4CCCO4)c3C)C(=O)NC2=S)c1 638257 FGOZTRCJPDXUPC-GUBFPNNNSA-N 423.538 3.424 10 40 HGCB COc1cccc2c1OC1(CCN(C(C)=O)CC1)N1N=C(c3ccc(O)cc3)C[C@@H]21 7596814 GLQBBRLYEZIZMW-FQEVSTJZSA-N 407.470 3.283 10 40 HGCB CCCCOc1ccccc1/C=C1/SC(=S)N([C@H]2CCS(=O)(=O)C2)C1=O 26458808 KTRBWSIXMFNRTO-LUYJPIOASA-N 411.570 3.254 10 40 HGCB COc1ccc(/C=C2/C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc1C(=O)O 409056899 NIVFMEWEEPGVAC-ZSOIEALJSA-N 414.801 3.022 10 40 HGCB O=C(O)COc1ccccc1/C=C1\SC(=S)N(c2cccc([N+](=O)[O-])c2)C1=O 409332638 QRIQTOYTGCMMQI-NVNXTCNLSA-N 416.436 3.464 10 40 HGCB COc1ccc(N2C(=O)/C(=C\c3cccn3-c3ccccc3F)C(=O)NC2=S)cc1 4458816 YAWKHKLHAFMUTH-LGMDPLHJSA-N 421.453 3.456 10 40 HGCB O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S 8643180 YEBBEQHCCXJNGV-DFSFMLJYSA-N 409.492 3.460 10 40 HGCB CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccccc3F)N3CCCC3)ccc21 9135578 JAWRWPRYVSXNPO-JOCHJYFZSA-N 424.520 3.100 10 40 HGCB O=S(=O)(c1ccc(F)cc1F)N1CCN(Cc2c(O)ccc3ccccc23)CC1 25065842 JHYFNVUUIREUIC-UHFFFAOYSA-N 418.465 3.330 10 40 HGCB COc1cc(/C=C2\C(=O)NN(c3cccc(C(F)(F)F)c3)C2=O)cc(OC)c1OC 1005562 SOXHZDBSJMTDEC-VGOFMYFVSA-N 422.359 3.193 10 40 HGCB O=C(CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)cc2)C1=O)Nc1ccccc1 1417291 LWHVAPGDIPBVSZ-RGEXLXHISA-N 423.494 3.198 10 40 HGCB O=C1/C(=C/c2ccccc2)SC(=S)N1CCCC(=O)N1CCCC[C@@H]1CCO 6660762 DVZOANCMRBBOET-KCGBVJQISA-N 418.584 3.432 10 40 HGCB COC(=O)c1c(NC(=O)C[C@H]2Sc3ccccc3NC2=O)sc2c1CCC2 16839376 LCIPMTSRQVEMFF-CQSZACIVSA-N 402.497 3.465 10 40 HGCB CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)C1 260511851 SSLXVSVLGUAGML-QUCCMNQESA-N 421.607 3.162 10 40 HGCB COc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(Br)cc3)C2=O)cc1 408526606 BSFBYGVBDSBHGA-GDNBJRDFSA-N 416.231 3.037 10 40 HGCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccc(OC)cc3)C2=O)cc1 408953069 OEPUBQPWGQESRC-XSFVSMFZSA-N 417.421 3.161 10 40 HGCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(N3CCCC3)cc2F)C1=O 409227138 PGAGSIKSWSDVBF-GHRIWEEISA-N 423.444 3.491 10 40 HGCB Cc1oc2c(c1C(=O)N1CCN(c3ccc(F)cc3)CC1)C(=O)c1ccccc1C2=O 1236041 KUHSVNZVBQMMPC-UHFFFAOYSA-N 418.424 3.465 10 40 HGCB COC(=O)[C@@H](Sc1ccccc1N)[C@@H]1SC(=S)N(Cc2ccccc2)C1=O 1567365 LWPUVMFRRQVRAK-HOTGVXAUSA-N 418.565 3.332 10 40 HGCB COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)cc1 408900244 XQKXUNVWYACYNB-GDNBJRDFSA-N 415.243 3.433 10 40 HGCB COc1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)c([N+](=O)[O-])c1 107859031 IDKRSHSGVRHTQM-UHFFFAOYSA-N 420.809 3.127 10 40 HGCB COc1ccc2c3c(n(CCn4ccnc4)c(=O)c2c1OC)-c1ccccc1C3=O 604404669 IXELJBZHKFXPPQ-UHFFFAOYSA-N 401.422 3.127 10 40 HGCB biogenic CCCN1C(=O)/C(=C/N(CCN2CCOCC2)Cc2ccccc2F)SC1=S 20625224 VDNKESBVBWKXRF-SDXDJHTJSA-N 423.579 3.072 10 40 HGCB CCOC(=O)COc1ccc2ccccc2c1/C=C1/C(=O)NN(c2ccccc2)C1=O 33709632 MAILSBKGHNDDDI-ZHZULCJRSA-N 416.433 3.243 10 40 HGCB O=C1C[C@H](c2cccnc2)c2c(cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc23)O1 96114552 AWCSCIFTABHQHU-CYBMUJFWSA-N 417.373 3.413 10 40 HGCB biogenic N=C1/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N=C2SC=NN12 5649515 IRBUYGBDSIZUFB-LXPIUTEMSA-N 407.411 3.423 10 40 HGCB COc1ccccc1N1C(=O)/C(=C\NCCc2c[nH]c3ccccc23)C(=O)N=C1S 102500901 AFOMGVIMJHBDCY-SSZFMOIBSA-N 420.494 3.052 10 40 HGCB CCOc1ccc(C(=O)O)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 408836663 UCYKLDDGBDTRFW-XNTDXEJSSA-N 414.801 3.103 10 40 HGCB O=C(O)CN1C(=O)/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)SC1=S 409212097 OWFQOAKKXSWNQR-NTUHNPAUSA-N 417.424 3.068 10 40 HGCB CCc1ccc(N2C(=O)/C(=C/c3cc4c(cc3Cl)OCO4)C(=O)NC2=S)cc1 409376025 SKAASEHETXRABD-VGOFMYFVSA-N 414.870 3.462 10 40 HGCB CN1CCN(c2ccc(CNC(=O)COc3cccc(C(F)(F)F)c3)cc2)CC1 225814699 VLBYSPZYIUQVCB-UHFFFAOYSA-N 407.436 3.152 10 40 HGCB Cc1cccc(N2C(=O)/C(=C/c3cc(C)n(C[C@H]4CCCO4)c3C)C(=O)NC2=S)c1 638253 FGOZTRCJPDXUPC-FUNKKEAFSA-N 423.538 3.424 10 40 HGCB CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2)N2CCCC2)cc1 4330496 WCAFJEKFPGYCAD-HXUWFJFHSA-N 414.937 3.298 10 40 HGCB Cc1ccc(-c2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)o2)c(Br)c1 4704210 DECXCNWPQYWFAV-UHFFFAOYSA-N 403.232 3.451 10 40 HGCB CC(=O)Oc1ccc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)cc1 41076243 MGCZLPILIYTZSK-ZJNHSXOMSA-N 404.451 3.474 10 40 HGCB O=C(c1ccccc1)N1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)OCO4)ccc21 223264628 BDFXDWAJQGQNGP-UHFFFAOYSA-N 422.462 3.419 10 40 HGCB O=C1[C@@H]([C@@H]2SC(=S)N(Cc3ccco3)C2=O)SC(=S)N1Cc1ccco1 585152498 QXRAZYKTAUNOKO-TXEJJXNPSA-N 424.550 3.031 10 40 HGCB COc1ccc(OCC(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc1 8963404 QIPRWANMPMNXAY-QHCPKHFHSA-N 409.530 3.020 10 40 HGCB O=C(NN1C(=O)/C(=C/c2coc3ccccc3c2=O)SC1=S)c1cccs1 15009125 GXWLIEAGSVUCJG-ZSOIEALJSA-N 414.489 3.401 10 40 HGCB Cc1cc(C)cc(N2C=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccc(F)cc32)c1 49004016 XJHSCTFONKNMJL-UHFFFAOYSA-N 416.474 3.068 10 40 HGCB CCN(CC)c1ccc(CNC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 224764607 WGROCHSUIGCNBE-MRXNPFEDSA-N 421.538 3.143 10 40 HGCB CN1CCCc2cc(CNC(=O)[C@H]3CC[C@H](CNC(=O)c4ccccn4)CC3)ccc21 257218463 DDFXNZHMUGSZCF-KESTWPANSA-N 420.557 3.317 10 40 HGCB O=C1NC(=S)NC(=O)C1=Cc1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1 408761718 GXXMBQOQGOTJPQ-UHFFFAOYSA-N 421.261 3.127 10 40 HGCB O=C1Nc2ccc(F)cc2/C1=C1/SC(=S)N(c2ccc([N+](=O)[O-])cc2)C1=O 4387656 LFBYKMFHJXGCGH-YPKPFQOOSA-N 401.400 3.462 10 40 HGCB N=C1/C(=C\c2ccc(Br)o2)C(=O)N=C2SC(c3ccncc3)=NN12 5441077 LOWFHUYCSVSOQC-CCILBWDTSA-N 402.233 3.105 10 40 HGCB Cc1cccc(C)c1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N(C)C 9135426 VYTXTFIJEQFSQL-NRFANRHFSA-N 408.546 3.043 10 40 HGCB CCN(CC)CCSc1nnc(N2CCN(c3ccc(OC)cc3)CC2)s1 23140022 NSLQVYSQWXSJDM-UHFFFAOYSA-N 407.609 3.307 10 40 HGCB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\NC(=O)Nc3ccc(C)c(C)c3)C2=O)c1 408533443 SGEGPIYSBCNXHQ-GZTJUZNOSA-N 406.442 3.209 10 40 HGCB Cc1cccc(C)c1OCCn1c(C)c(C=C2C(=O)NC(=O)NC2=O)c2ccccc21 4549050 IBNDCHJFAPXURZ-UHFFFAOYSA-N 417.465 3.395 10 40 HGCB O=C(O)CN1C(=O)/C(=C\c2ccc(C(=O)OCc3ccccc3)cc2)SC1=S 9310665 PGVWZHJACAOPBU-MHWRWJLKSA-N 413.476 3.329 10 40 HGCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CSc1ncnc2sccc12 11977088 GSPDAJISQFICIH-UHFFFAOYSA-N 414.556 3.279 10 40 HGCB COc1ccc(/C=C2/C(=O)NN(c3cccc(C(F)(F)F)c3)C2=O)cc1[N+](=O)[O-] 32109834 ARDYUBMQYGICJQ-QPEQYQDCSA-N 407.304 3.084 10 40 HGCB Cc1ccc(NC(=S)N/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)c1 408526912 CRIWWKZNUCBVGQ-GZTJUZNOSA-N 422.510 3.374 10 40 HGCB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3c(C)n(C)c4ccccc34)C2=O)cc1 409018936 XKEZAGBKTLOCFJ-XDHOZWIPSA-N 402.454 3.327 10 40 HGCB Cc1ccccc1N1C(=O)/C(=C/c2ccc(O)c(Br)c2)C(=O)NC1=S 409242901 PQDJBLJGYDHWKL-XYOKQWHBSA-N 417.284 3.294 10 40 HGCB Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(N4CCCC4)cc3C)C2=O)cc1 4688504 AFXWGRMCMBFSTJ-STZFKDTASA-N 418.497 3.435 10 40 HGCB CC(C)N1CCCc2cc(CNC(=O)CCc3ccc4c(c3)n(C)c(=O)n4C)ccc21 19663228 NODGBVQIPIJNSC-UHFFFAOYSA-N 420.557 3.287 10 40 HGCB COc1ccc(N2CCN(C(=O)CSc3ccc(OC)c(OC)c3)CC2)cc1 30872707 YDUPXLCXHPVPEI-UHFFFAOYSA-N 402.516 3.153 10 40 HGCB CCN(CC)CCC[C@@H](C)NC(=O)c1ccc2c(c1O)C(=O)c1ccccc1C2=O 5846939 SDOGGPXXQRCOGV-OAHLLOKOSA-N 408.498 3.408 10 40 HGCB Cc1cc(C(=O)CN2CCN(c3ccccn3)CC2)c(C)n1-c1ccc2c(c1)OCO2 23882354 TVJBIULDYXJABZ-UHFFFAOYSA-N 418.497 3.223 10 40 HGCB O=C(NN1C(=O)/C(=C/c2ccncc2)SC1=S)c1ccccc1Br 9308953 XPDDSMINCNCPTG-LCYFTJDESA-N 420.313 3.390 10 40 HGCB CC1=NC(=S)N(NCC(=O)c2ccccc2)C(=O)[C@@H]1/N=N\c1ccc([N+](=O)[O-])cc1 100643931 WMZJSOSCXVJAQE-LBNMDVIHSA-N 424.442 3.023 10 40 HGCB COc1ccc(N2CCN(C(=O)Cn3ccc(=O)c4ccc(Cl)cc43)CC2)cc1 225736264 RQVGBDFQNDOZSC-UHFFFAOYSA-N 411.889 3.012 10 40 HGCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OC 408802997 KEDWIEMTZKLEFG-OQLLNIDSSA-N 400.818 3.414 10 40 HGCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccccn1 409227119 OXPLQBHKAFZEFC-FOWTUZBSSA-N 420.469 3.460 10 40 HGCB O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S 8643182 YEBBEQHCCXJNGV-CNYBTUBUSA-N 409.492 3.460 10 40 HGCB COc1ccc(N(CCC(N)=O)CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1 8720584 XOGXMIIPPWTEKA-QGZVFWFLSA-N 409.530 3.133 10 40 HGCB CCCN1C(=O)/C(=C\Nc2ccccc2C(=O)Nc2ccc(C)cc2)C(=O)NC1=S 13148106 RMIOILXDMBTAFT-LGMDPLHJSA-N 422.510 3.196 10 40 HGCB O=C(O)c1cc(N2C(=O)/C(=C/c3cccc4nccnc34)SC2=S)ccc1O 13689527 ZKVQQWHXTIGPPZ-NVNXTCNLSA-N 409.448 3.439 10 40 HGCB O=C(CN1C(=O)N/C(=C\c2ccc(N3CCCC3)cc2)C1=O)Nc1ccc(Cl)cc1 23213148 TVVXOCKFEIPFOH-UYRXBGFRSA-N 424.888 3.472 10 40 HGCB CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1c(C)nc2ccccc2c1C 95939671 AERQUAKATKJDGT-FQEVSTJZSA-N 422.481 3.096 10 40 HGCB COC[C@@H](C)N1C(=O)/C(=C/c2cc(O)c(OC)cc2Br)SC1=S 96935919 VYQQWXMZXVPEFE-PGSWQMMVSA-N 418.334 3.399 10 40 HGCB CN(C(=O)c1c[nH]nc1[C@@H]1CCCN(C(=O)C[C@@H]2CCCCO2)C1)c1ccccc1 257286057 PKAODSUNAMEZDW-MJGOQNOKSA-N 410.518 3.352 10 40 HGCB CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCC2)cc1)c1ccc(Cl)cc1 10113556 WNWXOXAWROCMHW-UHFFFAOYSA-N 421.950 3.023 10 40 HGCB CC[C@H](C(=O)NCc1ccc(N(CC)CC)cc1)N(c1ccccc1)S(C)(=O)=O 222595752 ZWPVQNVWARXSHN-OAQYLSRUSA-N 417.575 3.394 10 40 HGCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(S(=O)(=O)N(C)C)c2ccccc12 101496955 RSYUFWZUSQUNAS-CPNJWEJPSA-N 408.483 3.102 10 40 HGCB Cc1cnc(C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)cn1 5637777 KSCZBPAVETVOKH-UHFFFAOYSA-N 407.426 3.003 10 40 HGCB COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCc1ccccc1OC 17088832 ZGXFPEITSJJURM-STZFKDTASA-N 411.433 3.164 10 40 HGCB Cc1cccc(N2CCN(C3=NC(=O)/C(=C\c4ccc(O)c([N+](=O)[O-])c4)S3)CC2)c1 36209051 VPMBNCHJGHTGRG-CPNJWEJPSA-N 424.482 3.401 10 40 HGCB CCC[C@H](c1nnnn1Cc1ccccc1)N1CCN(c2ccc(OC)cc2)CC1 57670630 YIKDBBLMZVGMIN-JOCHJYFZSA-N 406.534 3.393 10 40 HGCB CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)ccc1OCC(=O)N1CCCC1 409358309 LCSPCFDYVGPITG-SFQUDFHCSA-N 420.556 3.308 10 40 HGCB Cc1cccc(OCC2=NN3C(=N)/C(=C/c4ccc5c(c4)OCO5)C(=O)N=C3S2)c1 3890225 VUHXOEJKPMKVEA-HQNNINPFSA-N 420.450 3.422 10 40 HGCB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1OCC 4616074 MZHGNVIMDHHLCS-SDNWHVSQSA-N 414.458 3.454 10 40 HGCB COC(=O)CCCCCN1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)SC1=S 5453611 OPUPLDUSKVINMT-QINSGFPZSA-N 407.513 3.408 10 40 HGCB CCOc1ccc(Br)cc1C[C@H]1SC(=S)N(CCOC)C1=O 6963952 LWBKTEBDSAQCSC-CYBMUJFWSA-N 404.351 3.266 10 40 HGCB COc1ccc(CN2C(=O)[C@@H](Cc3cc4c(cc3OC)OCO4)SC2=S)cc1 8117198 AHYKCRGCAGIHQH-GOSISDBHSA-N 417.508 3.404 10 40 HGCB CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1 12634374 SJUGCTRSKLLSCZ-UHFFFAOYSA-N 414.449 3.363 10 40 HGCB CCc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(OCC(=O)O)c(OC)c3)C2=O)cc1 33321537 WCXFWMCSNSQMFZ-YBEGLDIGSA-N 424.409 3.228 10 40 HGCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC)c(OC)c3)C2=O)cc1 408896706 HMTOQTIGEAEIPQ-ATVHPVEESA-N 410.426 3.159 10 40 HGCB O=C(O)CCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3c(c1)OCO3)N2 4623643 FKCUFGDZFCIEGA-WJONJSRFSA-N 406.438 3.446 10 40 HGCB O=C1/C(=C/c2cc3cc4c(cc3[nH]c2=O)OCO4)SC(=S)N1Cc1ccco1 51330852 BJPKFPBZVGNCDA-SOFYXZRVSA-N 412.448 3.251 10 40 HGCB COc1ccc(C=C2C(=O)NC(=S)NC2=O)c(OCc2cccc3ccccc23)c1 408869271 QHARPHPJTNKHDS-UHFFFAOYSA-N 418.474 3.342 10 40 HGCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cccc(O)c3)C2=O)cc1OCC 409190678 POINLSDTWZUCIT-PDGQHHTCSA-N 424.453 3.242 10 40 HGCB CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3cccc(O)c3)C2=O)ccc1O 1828686 OLOVYTMYDZDESY-CXUHLZMHSA-N 416.480 3.043 10 40 HGCB Cc1cc(/C=C/C(=O)N2C[C@@H](C(N)=O)Oc3ccccc32)c(C)n1Cc1ccco1 6607800 OTCYUHRHEUGCTN-GLCJEOIMSA-N 405.454 3.039 10 40 HGCB Cc1cc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(C)n1-c1ccccc1F 6983933 ACPUQKZXQDHYOL-UHFFFAOYSA-N 412.442 3.261 10 40 HGCB Nc1c(Br)cc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1Br 13756788 NLKVWHQCXYJBIK-IUCAKERBSA-N 400.070 3.249 10 40 HGCB CC1=NC(=S)N(NCC(=O)c2ccccc2)C(=O)[C@H]1/N=N\c1ccc([N+](=O)[O-])cc1 68602420 WMZJSOSCXVJAQE-ANZZGNCFSA-N 424.442 3.023 10 40 HGCB CN1CCCc2cc([C@@H](CNC(=O)c3ccc(Br)o3)N(C)C)ccc21 23858357 VDVHODBHJRZURO-MRXNPFEDSA-N 406.324 3.457 10 40 HGCB COc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)NC2=O)cc1 211963716 QYSHFKHXNYXPCW-MHWRWJLKSA-N 400.481 3.202 10 40 HGCB CNc1ccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)cc1 4824619 HZKAPKKKJAJPQR-UHFFFAOYSA-N 423.450 3.076 10 40 HGCB CCOc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCC1 5349647 MOBAYNZXIIPJHM-NRFANRHFSA-N 424.545 3.043 10 40 HGCB Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)cc1 11857456 DCJRKRSPOHRJIQ-UHFFFAOYSA-N 401.469 3.250 10 40 HGCB COC(=O)c1[nH]c2ccc(F)cc2c1/C=C1\SC(=S)N(CCCC(=O)O)C1=O 102728673 IQVAMPZLTVLXEF-JYRVWZFOSA-N 422.459 3.160 10 40 HGCB C[C@H](N/C=C1/C(=O)NC(=S)N(c2ccc(F)c(Cl)c2)C1=O)c1ccccc1 108894218 FDGQBVGCGWNJLZ-HKLRHMNMSA-N 403.866 3.462 10 40 HGCB COC(=O)c1ccc(/C=C2/SC(=S)N(c3ccc(C(=O)O)c(O)c3)C2=O)cc1 27530367 YANZTHNNNORSGN-OVCLIPMQSA-N 415.448 3.283 10 40 HGCB COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ccc(F)cc1 112287378 RDMFSTFAKRSRGX-UNOMPAQXSA-N 412.377 3.386 10 40 HGCB Cn1c(/C=C2/SC(=S)N(NC(=O)Cc3ccccc3)C2=O)nc2ccccc21 5236056 KJPSWLVKSUZFEZ-FOWTUZBSSA-N 408.508 3.048 10 40 HGCB COc1ccc(N2CCN(C(=O)CCc3cc(OC)c(OC)c(OC)c3)CC2)cc1 5392541 KPUBBJUFLSAQND-UHFFFAOYSA-N 414.502 3.002 10 40 HGCB O=C1C[C@H](c2ccncc2)c2c(cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc23)O1 96114167 CIKNPMUSQDPKAK-CYBMUJFWSA-N 417.373 3.413 10 40 HGCB biogenic CSc1nc(N)c(/N=N\c2ccc(S(=O)(=O)Nc3ccccn3)cc2)c(O)n1 104090714 UXQFJFOXPXQOSD-DQRAZIAOSA-N 417.476 3.098 10 40 HGCB CCN(CC)c1ccc(CNC(=O)c2cccc(N(C)S(C)(=O)=O)c2C)cc1 225496833 MKLRBOAYWITQPW-UHFFFAOYSA-N 403.548 3.167 10 40 HGCB O=C1NC(=S)S/C1=C\c1cc(Br)c(O)c(Br)c1O 408730011 DCNFYMXGRKDTTK-DJWKRKHSSA-N 411.096 3.112 10 40 HGCB O=C1NC(=S)N(c2cccc(F)c2)C(=O)/C1=C/c1cc(Br)cs1 409021315 AWXPRFZKNQRZFI-WUXMJOGZSA-N 411.277 3.481 10 40 HGCB Oc1ccc(N2C[C@@](O)(c3ccc(Br)cc3)[N+]3=C2SCCC3)cc1 4280249 TZNFBCWLGIZAIZ-GOSISDBHSA-O 406.325 3.325 10 40 HGCB Cc1cc(C)c(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N(C)C)c(C)c1 9135429 DARRGTJWMBBTEL-JOCHJYFZSA-N 422.573 3.352 10 40 HGCB CCOc1ccccc1C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCOCC1 16838275 UASYVRJIXZRLGT-HSZRJFAPSA-N 423.557 3.271 10 40 HGCB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)NCc1ccc(N3CCCCC3)cc1)C(=O)C2 104057967 QTGZZZVHPKZDFA-PGRDOPGGSA-N 404.576 3.492 10 40 HGCB COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccc(OC)c(OC)c1 408584868 WBPJVHZIVAMPOX-BOPFTXTBSA-N 424.409 3.489 10 40 HGCB Cc1cc(C(=O)COc2cccc(-n3cnnn3)c2)c(C)n1-c1ccc2c(c1)OCO2 5280513 KWFUOMUXTDGAIA-UHFFFAOYSA-N 417.425 3.060 10 40 HGCB CCc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)s1 8801033 OEWJHUJYGBVXRE-HXUWFJFHSA-N 419.616 3.418 10 40 HGCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2ccccc2Br)C1=O 408527300 DGYPWIOZTRLUOO-ZRDIBKRKSA-N 400.232 3.336 10 40 HGCB COC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cccc(C(=O)O)c3C)o2)C1=O 4694732 QMURHDGBFJQIKN-OVCLIPMQSA-N 401.396 3.163 10 40 HGCB CC(=O)c1ccc(N/C=C2/C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 109308636 JONCCYYEKOMUQA-ZROIWOOFSA-N 417.849 3.425 10 40 HGCB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\Nc3cc(C)c(C)c([N+](=O)[O-])c3)C2=O)c1 408533920 PNOFTEJOTIPMAV-MHWRWJLKSA-N 408.414 3.407 10 40 HGCB O=C(COC(=O)c1ccccc1F)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 6886611 NVOOLBRMFXBJKO-UHFFFAOYSA-N 403.365 3.397 10 40 HGCB CCn1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc21 13424402 BGZFVKMJVRHRBC-CXUHLZMHSA-N 403.394 3.056 10 40 HGCB COc1ccccc1/C=C1\C(=O)NC(=S)N(c2cccc(Br)c2)C1=O 32138991 WDVKVNZPLARQLT-NTEUORMPSA-N 417.284 3.289 10 40 HGCB COC(=O)CN1C(=O)/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)SC1=S 409208683 DQPSYZRWGCPDTB-ZSOIEALJSA-N 403.437 3.019 10 40 HGCB CCCCCN1C(=O)/C(=C2/SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 1779510 UBQXPUQYZKENBE-FOCLMDBBSA-N 404.513 3.270 10 40 HGCB CC(=O)Nc1ccc(N/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 2298152 TUOFQTAYNICVAT-YBEGLDIGSA-N 414.874 3.042 10 40 HGCB CCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)SC1=S 5373734 VSNWNAOMMGEYDN-HOXUKUGESA-N 411.501 3.167 10 40 HGCB CCn1c(=O)c([N+](=O)[O-])c(N2CCN(c3ccc(OC)cc3)CC2)c2ccccc21 5515990 CGDSHGAHDRBGJR-UHFFFAOYSA-N 408.458 3.265 10 40 HGCB COc1ccc(N2CCN(Cc3nc4sc5c(c4c(=O)[nH]3)CC[C@@H](C)C5)CC2)cc1 57945221 CXBTWYRVWOPLCV-OAHLLOKOSA-N 424.570 3.440 10 40 HGCB CCCCOc1ccccc1/C=C1\C(=O)N(c2ccc(S(N)(=O)=O)cc2)N=C1C 96193284 MSTYGXGGMIDFJD-RGEXLXHISA-N 413.499 3.319 10 40 HGCB CCOc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OCC(N)=O 409203888 ZPXKAGHZBUVRDJ-GZTJUZNOSA-N 420.556 3.483 10 40 HGCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cccn1-c1ccc(F)cc1 1095368 UWPWFGVSVAMTRL-LICLKQGHSA-N 419.368 3.012 10 40 HGCB COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccccc3O)C2=O)cc1 1506068 RXTJUSPBUIZEHM-MHWRWJLKSA-N 400.481 3.241 10 40 HGCB O=C(CSc1cccc[n+]1[O-])Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O 8691220 UXNQTKAFRQATBS-UHFFFAOYSA-N 424.865 3.480 10 40 HGCB Cc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccccc1O 13540874 OGJAYZDFMVQQDC-UYRXBGFRSA-N 415.449 3.462 10 40 HGCB COc1ccc(-n2cccc2/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1 15013019 IMKXIFUDFAVCJT-UYRXBGFRSA-N 405.385 3.291 10 40 HGCB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1c[nH]c2ccc(Br)cc12 409195582 RBGVPTARZNHEAN-AUWJEWJLSA-N 402.248 3.335 10 40 HGCB O=C(O)CN1C(=O)/C(=C2\SC(Nc3ccc(Cl)cc3)=NC2=O)c2ccccc21 1447494 HLPBHCVSDSPVRI-NXVVXOECSA-N 413.842 3.224 10 40 HGCB Cc1c(N2C(=O)/C(=C/c3cccn3C)SC2=S)c(=O)n(-c2ccccc2)n1C 5552640 GXFBPGVENLARFH-VBKFSLOCSA-N 410.524 3.229 10 40 HGCB O=C(NN1C(=O)/C(=C\c2cc3ccccc3oc2=O)SC1=S)c1ccccc1 10039828 QTGBPVYPEWPCRV-LFIBNONCSA-N 408.460 3.339 10 40 HGCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccccn1 408965242 JMWCIIOOESXYOU-LDADJPATSA-N 404.401 3.295 10 40 HGCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(Br)cc1 409212346 QDKQYXHBJJZDMS-RIYZIHGNSA-N 416.187 3.024 10 40 HGCB COc1ccc(OC)c(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c1 409252396 RPMRLFPFZQHYSN-JLHYYAGUSA-N 402.859 3.189 10 40 HGCB COC(=O)c1c(NC(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)sc2c1CCCCCC2 13144954 GWXPNBDKQUNSRF-VZAMPYOESA-N 407.488 3.010 10 40 HGCB CN1CCN([C@H](c2ccc(Br)cc2)c2cc3c(cc2O)OCO3)CC1 20736015 SENLDFNCVBHPCU-LJQANCHMSA-N 405.292 3.220 10 40 HGCB COc1ccc(OC)c(/C=C2/SC(=S)N(NC(=O)Cc3ccccc3)C2=O)c1 35039053 QXIBSHKXMFERDY-SFQUDFHCSA-N 414.508 3.179 10 40 HGCB COc1ccc(CN2CCC(c3nc(C)c(C)c(N4CCOCC4)n3)CC2)c(O)c1 72337250 VHNYBQZXEJUMFQ-UHFFFAOYSA-N 412.534 3.024 10 40 HGCB COc1ccc(N2CCCN(CC3CCN(C(=O)c4cscn4)CC3)CC2)cc1 72338556 QRDUAURKJJGABY-UHFFFAOYSA-N 414.575 3.216 10 40 HGCB COc1ccc(N(CCC(N)=O)CC(=O)N2CC[C@@H](C)Sc3ccccc32)cc1 8705870 RYIQNYKUCABMHE-MRXNPFEDSA-N 413.543 3.295 10 40 HGCB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(N4CCCC4)cc3)C2=O)cc1 32101830 OIGATPDKWXUPCD-XSFVSMFZSA-N 404.470 3.127 10 40 HGCB CC(C)Oc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] 35145789 RLZRVXSCYIUTNU-ZSOIEALJSA-N 401.806 3.497 10 40 HGCB CCN(CC)c1ccc(CNS(=O)(=O)c2cc(C(=O)OC)ccc2Cl)cc1 223947623 CFCNNSFRMFJNPK-UHFFFAOYSA-N 410.923 3.451 10 40 HGCB COc1ccc(N2C(=O)/C(=C\c3cccc(Br)c3)C(=O)NC2=S)cc1 408759564 HEBAWAYDTZYZBX-GDNBJRDFSA-N 417.284 3.289 10 40 HGCB O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccccc1I 1505840526 LBBKOYVITJNUPI-JYRVWZFOSA-N 424.625 3.406 10 40 HGCB COc1ccc(/C=C2\SC(N3CCN(c4ccc(OC)cc4)CC3)=NC2=O)cc1 9188190 OSOQRGVMVNXUJX-HKWRFOASSA-N 409.511 3.496 10 40 HGCB COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(N)=O 9188451 OULNBGZHPZXFTN-YVLHZVERSA-N 414.508 3.274 10 40 HGCB CC(=O)NC1=NC(=O)/C(=C/c2cc(Br)c(O)c(Br)c2)S1 408755089 PRGVELDPWFRWAT-WTKPLQERSA-N 420.082 3.024 10 40 HGCB Cc1ccc(N2NC(=O)/C(=C/c3cc4c(cc3Br)OCO4)C2=O)cc1C 13562082 QNPXYRSKQKEITE-NSIKDUERSA-N 415.243 3.256 10 40 HGCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccc(O)cc1 223578333 MQRBNYIHQATACF-RTWAWAEBSA-N 408.527 3.160 10 40 HGCB CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)ccc1OCc1ccccc1F 408908700 CUZZMFDSCPXSQE-XNTDXEJSSA-N 414.458 3.060 10 40 HGCB COC(=O)CN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)N(C)C1=S 409202968 VLNZULQXOIIHEM-YVLHZVERSA-N 417.918 3.320 10 40 HGCB O=C1/C(=C/c2cccs2)SC(=S)N1CCC(=O)N1CCCC[C@H]1CCO 6660751 JNSQKOWTDKNPMY-FRRXJZEGSA-N 410.586 3.103 10 40 HGCB Cc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)N4CCCC4)C3=O)c2C)nc1 9259536 MLJQMCDHGKFXLY-WOJGMQOQSA-N 424.526 3.456 10 40 HGCB Cc1cc2oc(=O)c3c(c2c(O)c1C1=NN[C@@H](c2ccc4c(c2)OCO4)C1)CCC3 12296341 QUVABAIZQJMEOE-OAHLLOKOSA-N 404.422 3.463 10 40 HGCB biogenic O=C1/C(=C/c2cc3cc4c(cc3[nH]c2=O)OCO4)SC(=S)N1c1cccc(O)c1 51330811 OVQHGWGAXMECCX-FMQZQXMHSA-N 424.459 3.368 10 40 HGCB COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCO)c2C)cc1 223578786 YYRSFCMNPXIQQE-FGZHOGPDSA-N 422.554 3.463 10 40 HGCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\NC(=S)Nc2ccc(C)c(C)c2)C1=O 408535274 YGNWHNZWHWDRBN-SFQUDFHCSA-N 422.510 3.319 10 40 HGCB CCn1c(C)cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)c1C 2116307 LWIUPWLNUHDDIE-YVLHZVERSA-N 400.866 3.310 10 40 HGCB COc1cc([N+](=O)[O-])cc(/C=C2\C(=O)N(c3ccccc3F)C(=S)N=C2O)c1O 16194941 ICNIIGORNVGNFP-XFFZJAGNSA-N 417.374 3.120 10 40 HGCB COc1ccc(-n2nnnc2CNC(=O)c2cc(Br)ccc2Cl)cc1 9570369 QFDSTWSXCIRFAE-UHFFFAOYSA-N 422.670 3.017 10 40 HGCB COc1ccc2nc(/C=C3\SC(=S)N(NC(=O)c4ccncc4)C3=O)ccc2c1 13721469 UJFMQFHJVYUCSD-BOPFTXTBSA-N 422.491 3.185 10 40 HGCB COCCOc1ccc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c2ccccc12 409206191 VVNQCXZUHAEPJQ-RGEXLXHISA-N 408.454 3.269 10 40 HGCB O=C1NC(=S)NC(=O)C1=CNc1nc(-c2ccc(-c3ccccc3)cc2)cs1 17191988 ATMMWSGLDSTKFL-UHFFFAOYSA-N 406.492 3.304 10 40 HGCB Cc1ccccc1N1CCN(C2=NC(=O)/C(=C\c3ccc(O)c([N+](=O)[O-])c3)S2)CC1 36213146 DMBLRKFNZQOQOF-CPNJWEJPSA-N 424.482 3.401 10 40 HGCB CCN(CCNC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1)c1ccc(C)cc1 225793446 ORPWZUNKEZSBIB-UHFFFAOYSA-N 420.604 3.204 10 40 HGCB Cc1c(C=C2C(=O)N(C)C(=O)N(C)C2=O)c2ccccc2n1CCOc1ccccc1 2313314 DQYGBYFEFVAEMC-UHFFFAOYSA-N 417.465 3.463 10 40 HGCB CCCC[C@@H](NC(=O)CCN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S)C(=O)O 5552891 UPZSMBKERLCWBF-XYGUXCPDSA-N 420.556 3.346 10 40 HGCB C[C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)N(c1ccccc1)S(C)(=O)=O 13675887 UWYNLNOKLBWJBO-GOSISDBHSA-N 415.559 3.148 10 40 HGCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1ccc(-c2ccc(F)cc2)o1 13785503 RQZSXOKOFWKLHI-YBEGLDIGSA-N 420.352 3.481 10 40 HGCB COc1ccc(N2CCOCC2)c(NC(=O)COc2ccc(Br)cc2)c1 20528666 XRUYGEXVTPRETF-UHFFFAOYSA-N 421.291 3.312 10 40 HGCB COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 59435788 OHIVNGHZRYNBNA-UNOMPAQXSA-N 408.410 3.476 10 40 HGCB CCCCNC(=O)CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 4263423 FMPJZXPNILKVQV-WJDWOHSUSA-N 406.529 3.313 10 40 HGCB O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C/c1ccc(C(=O)O)cc1 35043229 XIHPCKMZBJWHOX-QGOAFFKASA-N 411.458 3.316 10 40 HGCB C[C@H]1CN(c2ccc(CNC(=O)Cn3ccc(=O)c4ccccc43)cc2F)C[C@@H](C)O1 69419510 ONBKEIUGFXNYAQ-CALCHBBNSA-N 423.488 3.071 10 40 HGCB CCN(CC)c1ccc(N/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1 101362373 OQGHQSWLNHECEU-XMHGGMMESA-N 408.458 3.120 10 40 HGCB CN1CCN(c2ccc(CNC(=O)[C@@H]3CCCN(Cc4ccc(F)cc4)C3)cc2)CC1 222602587 FZNGAKOYPSCHND-JOCHJYFZSA-N 424.564 3.106 10 40 HGCB CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 408803893 UMJYNKANIODPGB-MHWRWJLKSA-N 400.818 3.414 10 40 HGCB O=C(Nc1ccc(O)cc1C(=O)O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 4602647 CGUVLIBZRGMPPN-UHFFFAOYSA-N 408.410 3.271 10 40 HGCB CC[C@H](C)[C@H](NC(=O)CCN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S)C(=O)O 5552906 VIHLWYUSLNOLTE-ZDGMZETASA-N 420.556 3.202 10 40 HGCB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1cc2c(cc1Cl)OCO2 5771377 WEPAJJYHHLMMHV-YHYXMXQVSA-N 404.806 3.039 10 40 HGCB COc1ccc2c(c1)C=C[C@H]1[C@H]3C(=O)N(c4c(C)cccc4C)C(=O)[C@@H]3[C@H](C(C)=O)N21 13681021 UTQZZTKVCRFKPY-KGSLCBSSSA-N 416.477 3.291 10 40 HGCB COc1cc(N2C(=O)NC(=O)/C(=C\c3ccccc3C)C2=O)c(OC)cc1Cl 408784700 WLSBFWKONCAHBM-MDWZMJQESA-N 400.818 3.332 10 40 HGCB CCc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCC1 4330722 LYUZEJMNMXIDLQ-QFIPXVFZSA-N 408.546 3.207 10 40 HGCB O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccccc3)o2)SC1=S 8823918 WFAGJKVHVRKFGT-LERPTODRSA-N 417.464 3.466 10 40 HGCB COc1ccc2c(c1)C=C[C@H]1[C@H]3C(=O)N(c4c(C)cccc4C)C(=O)[C@H]3[C@@H](C(C)=O)N21 8992222 UTQZZTKVCRFKPY-ZZLPTCMGSA-N 416.477 3.291 10 40 HGCB COc1cc(/C=C2\SC(N3CCN(c4ccc(F)cc4)CC3)=NC2=O)ccc1O 13512531 FMZRVGOFQBLIMB-UYRXBGFRSA-N 413.474 3.332 10 40 HGCB COc1ccc(-c2c(C)c3ccc(O)c(CN4CCN(C)CC4)c3oc2=O)cc1OC 20605077 HTPKUYIVVHEAGQ-UHFFFAOYSA-N 424.497 3.239 10 40 HGCB biogenic Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3ccc(O)c(Br)c3)C2=O)c1 408890233 QCZOVCXKOIADAF-MDWZMJQESA-N 415.243 3.438 10 40 HGCB COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1OCc1cccc2ccccc12 408891274 NXBMIFOTENSJBN-UHFFFAOYSA-N 418.474 3.342 10 40 HGCB CCc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc1 8964136 JKHJSLWWPFDGNB-HSZRJFAPSA-N 420.557 3.133 10 40 HGCB COc1cc(N2CCOCC2)ccc1CN1CCC(O)(c2ccc(F)cc2)CC1 12363601 OEUWAPQHJDAFHQ-UHFFFAOYSA-N 400.494 3.155 10 40 HGCB CSCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc3nccnc3c2)SC1=S 13690129 OTEBQRBFOSVSMA-FYQHACEVSA-N 405.526 3.037 10 40 HGCB COc1ccc2[nH]cc(/C=C3\SC(=S)N(NC(=O)c4cccnc4)C3=O)c2c1 13692397 XWESRLPJPHBJBK-APSNUPSMSA-N 410.480 3.118 10 40 HGCB CC(=O)NC1=NC(=O)/C(=C/c2cccc(OCC(=O)Nc3ccc(C)cc3)c2)S1 33738490 HSKGWESDYIRQHZ-WQRHYEAKSA-N 409.467 3.119 10 40 HGCB CCc1cccc(N2C=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccc(F)cc32)c1 49004018 ZQHWQQXPKOHKBC-UHFFFAOYSA-N 416.474 3.014 10 40 HGCB COc1ccc(N2CCN([C@H](c3nnnn3Cc3cccs3)C(C)C)CC2)cc1 57671569 ACEGZHJSQKERPU-FQEVSTJZSA-N 412.563 3.311 10 40 HGCB CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)ccc1OCc1ccc(C)cc1 408913164 SWFGZVGWKJHFEQ-GZTJUZNOSA-N 410.495 3.229 10 40 HGCB Cc1cc(C)n2nc(C(=O)OCC(=O)c3cc(C)n(-c4ccccc4F)c3C)nc2n1 3363094 DDQGABYINHWRPM-UHFFFAOYSA-N 421.432 3.327 10 40 HGCB CCN(CCO)C(=O)CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S 4747581 VICZNBNRXUZEFM-FYWRMAATSA-N 412.602 3.351 10 40 HGCB O=C1N=C(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)S/C1=C\c1cccs1 5516074 KYXBWQZITPBNRT-VBKFSLOCSA-N 400.485 3.449 10 40 HGCB Cc1cccc(NC(=O)N/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c1C 408536573 WRNNZXUIWQYFMJ-JLHYYAGUSA-N 412.833 3.245 10 40 HGCB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccc([N+](=O)[O-])cc1O 8820265 YJPVFZWMHIDIFR-NTEUORMPSA-N 419.440 3.123 10 40 HGCB COc1cccc(OCC(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCC2)c1 11613049 VBCGVQCGRFSWQC-XMMPIXPASA-N 423.557 3.410 10 40 HGCB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc(Br)ccc2O)N1 36055676 QQOJPRHJWOUWAY-MAUKXSAKSA-N 401.260 3.413 10 40 HGCB CN(C)c1ccc(CNC(=O)c2cc(=O)[nH]c3ccc(Br)cc23)cc1 71328474 MRSSWJKNQXAYAH-UHFFFAOYSA-N 400.276 3.287 10 40 HGCB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3O)[C@H]2C(=O)N1Cc1ccccc1 100901366 HZUINGSLGSOXRQ-FSSWDIPSSA-N 400.434 3.439 10 40 HGCB CC[C@H](C)Oc1c(OC)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] 107931218 AVFAGHOXUPNGJK-ATTDUZETSA-N 411.414 3.242 10 40 HGCB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)NC(C)(C)C)C2=O)cc1 4263419 SZFWXKRFWXKGPM-QINSGFPZSA-N 420.556 3.369 10 40 HGCB CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)sc2c1CC[C@H](CC)C2 13154249 BKKVYXBZSGFURC-SYCOBUBCSA-N 421.515 3.256 10 40 HGCB CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(O)cc3)c2C)C1=O 205669279 BMFUWCXEPYNQJE-LICLKQGHSA-N 400.456 3.399 10 40 HGCB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC 408586694 OVMVDNFMSDUXGH-WJDWOHSUSA-N 403.475 3.431 10 40 HGCB C[C@@H](C(=O)O)N1C(=O)/C(=C2/C(=O)N(Cc3ccccc3)c3ccccc32)SC1=S 1282007 YWCQOARNKAIEBI-ICDILTBESA-N 424.503 3.278 10 40 HGCB O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccccc1[N+](=O)[O-] 6926958 AAPQASIEVYWANC-MDWZMJQESA-N 405.482 3.496 10 40 HGCB C[C@H](C(=O)N1CCCC[C@@H]1CCO)N1C(=O)/C(=C/c2cccc(F)c2)SC1=S 9302970 AQHCKWRJQBUCRM-LMXARPBLSA-N 422.547 3.179 10 40 HGCB CN1CCN([C@H](CNC(=O)c2ccc(Cl)cc2)c2ccc(N(C)C)cc2)CC1 22589287 PKEIVDPXTADJBZ-OAQYLSRUSA-N 400.954 3.125 10 40 HGCB CCOc1ccc(-n2c(C)cc(C(=O)CN3CCN(C(=O)C4CC4)CC3)c2C)cc1 35286763 ZDCIIUZPLPFNLB-UHFFFAOYSA-N 409.530 3.230 10 40 HGCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1OC 408797767 CTFARTDBQJUQFE-JLHYYAGUSA-N 400.818 3.414 10 40 HGCB COc1ccc(N2CCN(CCCNC(=O)Nc3ccc(F)cc3F)CC2)cc1 18176754 OYWFAMIPNKGBTB-UHFFFAOYSA-N 404.461 3.307 10 40 HGCB COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(C(=O)O)cc1 409001245 ONLXZAAKLPOFEM-ZHZULCJRSA-N 421.449 3.309 10 40 HGCB CC(=O)N1CCN(C2=NC(=O)/C(=C\c3ccccc3OCc3ccccc3)S2)CC1 4599570 KRJYCPDJRHWYRY-RCCKNPSSSA-N 421.522 3.400 10 40 HGCB O=C1/C(=C\c2ccc(-c3ccccc3)o2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 8869512 DOFLQCWKWMBYQC-RKPNYOAGSA-N 405.522 3.335 10 40 HGCB Cc1nn(-c2ccccc2)c(O)c1/C=C1\SC(=S)N(C[C@@H]2CCCO2)C1=O 12416816 LHFTZUAKVDSOND-FBKCMUNRSA-N 401.513 3.267 10 40 HGCB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(C(C)C)c2C)C1=O 409236936 IIXPFDMBXMIKAK-WOJGMQOQSA-N 410.474 3.226 10 40 HGCB CCN1C(=O)C(=Cc2ccc(N3CCCCC3)cc2OC)C(=O)N(CC)C1=S 409249689 NYLLTUYWHJOOMH-UHFFFAOYSA-N 401.532 3.064 10 40 HGCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1 4893429 DDZVVXFCARXPSF-OQLLNIDSSA-N 401.216 3.124 10 40 HGCB CCN(CC)c1ccc(N/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc1 18127398 GDOHACBHOQSRMJ-XMHGGMMESA-N 424.526 3.285 10 40 HGCB COc1ccc(N2CCN(CC(=O)Nc3nc4c(s3)C[C@H](C)CC4)CC2)cc1 18181935 RCAXOPGKGAPBCK-OAHLLOKOSA-N 400.548 3.037 10 40 HGCB Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1ccccc1Br 1097205 RXMYAXHHPCJIBB-UHFFFAOYSA-N 416.275 3.290 10 40 HGCB CN1C(=O)C(=Cc2cn(CCOc3ccccc3)c3ccccc23)C(=O)N(C)C1=O 4082180 AUWKLNCHWTUHDQ-UHFFFAOYSA-N 403.438 3.154 10 40 HGCB Nc1c(S(=O)(=O)O)cc(NC2CCCCC2)c2c1C(=O)c1ccccc1C2=O 4533388 GMBNNHLANOGOAU-UHFFFAOYSA-N 400.456 3.036 10 40 HGCB in-vitro Cn1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(O)cc3)C2=O)c2ccccc21 5157912 TWUBELRMSDTYME-YVLHZVERSA-N 409.492 3.430 10 40 HGCB CSCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc3c(c2)CCCN3C)SC1=S 54360856 PBQSMIPLBZGJDO-DFSFMLJYSA-N 422.597 3.477 10 40 HGCB COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] 408583808 KLXQGXFQBVWBEK-WJDWOHSUSA-N 409.354 3.380 10 40 HGCB Cc1cc(C(=O)COC(=O)c2ccc(O)cc2O)c(C)n1-c1ccc2c(c1)OCO2 3365100 UFQOPZAULPZLKP-UHFFFAOYSA-N 409.394 3.274 10 40 HGCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\c1cccn1Cc1ccc(Cl)cc1 13688195 ZBHSJPDIWMGHOQ-WQRHYEAKSA-N 409.829 3.445 10 40 HGCB CN1CCN([C@H](CNC(=O)c2ccc(Cl)cc2)c2ccc3c(c2)CCN3C)CC1 22733595 OWJYJXBZUBPQNN-JOCHJYFZSA-N 412.965 3.051 10 40 HGCB O=C1/C(=C\c2ccc(Cl)cc2Cl)SC(=S)N1[C@H]1CCS(=O)(=O)C1 26503246 VMUQRYGWZWRLPN-YIVIPITNSA-N 408.353 3.382 10 40 HGCB C[C@H](NC[C@@]1(N2CCOCC2)CCSC1)c1cc(Br)ccc1O 96009174 XDWLCSSIQPQFCB-GUYCJALGSA-N 401.370 3.013 10 40 HGCB CNS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1 260907928 UINILNVMSWHSLE-DLBZAZTESA-N 415.559 3.322 10 40 HGCB O=C(O)CCN1C(=O)/C(=C\c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)SC1=S 409099801 UFWSOOFPJWHYIX-RVDMUPIBSA-N 421.500 3.261 10 40 HGCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc1OC 409111120 AITSQBOYAYNSLO-UKTHLTGXSA-N 416.886 3.497 10 40 HGCB Cc1ccc(C)n1-c1ccc2c(c1)CC1(C(=O)N(C)C(=O)N(C)C1=O)[C@H]1CCCCN21 5451819 OGDBMOWPOLHTFW-HXUWFJFHSA-N 420.513 3.046 10 40 HGCB CN(C)CCCNc1cc(N2CCCCC2)c(N)c2c1C(=O)c1ccccc1C2=O 6661233 OLDOQGFMCWRVDO-UHFFFAOYSA-N 406.530 3.398 10 40 HGCB Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCCC2)c1 13007890 RMHQLYJOUPPOIO-HSZRJFAPSA-N 420.557 3.269 10 40 HGCB Cc1cc(N2CCOCC2)ccc1CN1C[C@@H](c2ccccc2)[C@@]2(CCCC(=O)N2)C1 19570696 RGBCNROCYJVQNW-AZGAKELHSA-N 419.569 3.470 10 40 HGCB COc1ccc(N2CCN(C[C@H](O)COCC34CC5CC(CC(C5)C3)C4)CC2)cc1 23115040 UYQPMEDXEJQYRZ-RZTYHALVSA-N 414.590 3.411 10 40 HGCB COc1ccc(-c2nsc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c2N)cc1 62007107 NRFISWTXYHHJJR-UHFFFAOYSA-N 424.526 3.372 10 40 HGCB COc1cc(N2CCCC2)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 225951222 XBOLERXXMMMXQZ-UHFFFAOYSA-N 412.563 3.172 10 40 HGCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OC)C2=O)cc1 408800959 QLZLGLIKYSQVGU-LFIBNONCSA-N 400.818 3.414 10 40 HGCB COc1cccc(OCC(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCCC2)c1 13007838 SALIUHICUXTKKI-XMMPIXPASA-N 423.557 3.410 10 40 HGCB COc1ccc([N+](=O)[O-])cc1N/C=C1\C(=O)NC(=O)N(c2c(C)cc(C)cc2C)C1=O 408535035 SERFDOQFRXWCJM-XNTDXEJSSA-N 424.413 3.107 10 40 HGCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(O)c1 408885544 BRKXQKMPHHCNJM-WUXMJOGZSA-N 407.209 3.374 10 40 HGCB O=C(O)C[C@@H](C(=O)O)N1C(=O)/C(=C\c2c(Cl)cccc2Cl)SC1=S 27530406 DAXASHYCRHBKQQ-YNYSXPKMSA-N 406.268 3.123 10 40 HGCB Cc1ccc(C)n1-c1ccsc1-c1cc2nc(CS(C)(=O)=O)cc(O)n2n1 6054655 UTGKQXQMZCAWEQ-UHFFFAOYSA-N 402.501 3.116 10 40 HGCB O=C1/C(=C/c2c[nH]c3ccccc23)SC(=S)N1NS(=O)(=O)c1ccccc1 8828410 ALZBXHUQYNOPGT-YBEGLDIGSA-N 415.521 3.263 10 40 HGCB O=C(NCc1ccc(N2CCOCC2)cc1)c1ccccc1I 13647978 JLFXEYLBUFKZJX-UHFFFAOYSA-N 422.266 3.058 10 40 HGCB O=C(CN1CCCc2cc(OC(F)(F)F)ccc21)N1CCN(c2ccccn2)CC1 29924516 NCXAICFAYIYGAF-UHFFFAOYSA-N 420.435 3.082 10 40 HGCB O=C(CCCN1C(=O)c2ccccc2C1=O)NCc1ccc(N2CCCCC2)cc1 219136770 GRYUELYEZWRTGQ-UHFFFAOYSA-N 405.498 3.370 10 40 HGCB CCN(CC)c1ccc(CNC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 225815461 FBUVFELXQWAONX-UHFFFAOYSA-N 423.966 3.269 10 40 HGCB CCN(CC(=O)Nc1c(C(=O)OC)[nH]c2ccc(C)cc12)c1ccc2c(c1)OCO2 2281443 IVNSTVPBQYLHCM-UHFFFAOYSA-N 409.442 3.457 10 40 HGCB CN(CCO)c1cc(Nc2ccc(F)cc2)c2c(c1N)C(=O)c1ccccc1C2=O 5487159 WRMKKQRWZQJSEF-UHFFFAOYSA-N 405.429 3.355 10 40 HGCB CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)OCCN(C)C)C2=O)cc1 5555032 NZLUJWVARUMZMG-VKAVYKQESA-N 406.573 3.335 10 40 HGCB Cc1ccc(O)c(CN2CCC(O)(Cn3nc(-c4cccs4)ccc3=O)CC2)c1 19133305 QLBSTJMBWBSOIZ-UHFFFAOYSA-N 411.527 3.013 10 40 HGCB Nc1ccc(N(C(c2ccccc2)c2ccccc2)[C@H]2CS(=O)(=O)C[C@H]2O)cc1 575422759 WLIBIMPWGOAEAQ-FCHUYYIVSA-N 408.523 3.023 10 40 HGCB CCc1nnc(S/C(=C/c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C(=O)O)[nH]1 7342605 TXKJRYAMZKDARR-RVDMUPIBSA-N 403.464 3.483 10 40 HGCB CC(=O)NC1=NC(=O)/C(=C/c2ccccc2OCC(=O)Nc2cccc(C)c2)S1 35087854 ACQKIQFMEUGBKN-WQRHYEAKSA-N 409.467 3.119 10 40 HGCB COc1ccc(-c2cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)n(C)n2)cc1 35277000 ZBJWYXCYZIRXOX-UHFFFAOYSA-N 406.486 3.067 10 40 HGCB COc1cc(/C=C2/SC(=O)N(NS(=O)(=O)c3ccccc3)C2=S)ccc1O 8765871 OIODXFILBBGJPL-XNTDXEJSSA-N 422.509 3.131 10 40 HGCB COCCN(CCOC)Cc1c(O)cc(OC)c2c(=O)cc(-c3ccccc3)oc12 11865270 RQCBRXFUGDLTNG-UHFFFAOYSA-N 413.470 3.269 10 40 HGCB biogenic O=C(O)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccncc2)SC1=S 16736932 JNPQZUBMYSJYAP-YBEGLDIGSA-N 422.491 3.220 10 40 HGCB CC1=NC(=S)N(NCC(=O)c2ccccc2)C(=O)[C@H]1/N=N/c1ccc([N+](=O)[O-])cc1 100643934 WMZJSOSCXVJAQE-AWZKZOKMSA-N 424.442 3.023 10 40 HGCB COc1cccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4cccnc4)C3=O)c2C)c1 409247651 FEECHMSVKQKJGV-JAIQZWGSSA-N 416.437 3.164 10 40 HGCB CN1CCCc2cc([C@@H](CNS(=O)(=O)c3cccc(F)c3)N3CCCC3)ccc21 8799099 IPNNOKQEPQWKCU-JOCHJYFZSA-N 417.550 3.324 10 40 HGCB COC(=O)c1cc(N/C(C)=C2/C(=O)N(c3ccccc3)N=C2C)cc(C(=O)OC)c1 9306471 KTHOIDYDGZOQNW-CPNJWEJPSA-N 407.426 3.368 10 40 HGCB CCN1C(=O)/C(=C/c2cn(CC(=O)NCCOC)c3ccccc23)c2ccccc21 409207298 RLISZRRUXSPDGO-XSFVSMFZSA-N 403.482 3.311 10 40 HGCB COc1ccc(N2CCN(C(=O)C3CCN(C(=O)c4ccccc4C)CC3)CC2)cc1 780412 NAXTYZPKMWZSEK-UHFFFAOYSA-N 421.541 3.205 10 40 HGCB O=C(NN1C(=O)/C(=C/c2ccc[nH]2)SC1=S)c1ccccc1Br 5552841 CBMSBEXFKGSLRJ-WQLSENKSSA-N 408.302 3.323 10 40 HGCB Cc1cccc(N2CCN(C(=O)Cc3c(C)c4ccc(O)c(O)c4oc3=O)CC2)c1C 6660887 GZLVLPZUDWWTLO-UHFFFAOYSA-N 422.481 3.021 10 40 HGCB Cc1cc(C(=O)CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccccc1 6862372 FRYKSLLJCGGCQM-UHFFFAOYSA-N 415.449 3.268 10 40 HGCB CCN(CC)c1ccc(CN2CCc3c(nc(N4CCC[C@@H](C)C4)[nH]c3=O)C2)cc1 12117812 YFNVMPYNPPEADY-GOSISDBHSA-N 409.578 3.411 10 40 HGCB C[C@H](NC[C@]1(N2CCOCC2)CCSC1)c1cc(Br)ccc1O 96009172 XDWLCSSIQPQFCB-SUMWQHHRSA-N 401.370 3.013 10 40 HGCB Cc1cccc(N2C(=O)NC(=O)/C(=C/Nc3ccccc3Br)C2=O)c1 6860660 OKPAMVIGXJBYJV-RAXLEYEMSA-N 400.232 3.336 10 40 HGCB CCN(CC)c1ccc(CN(C(=O)c2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 27663979 LYNLNDLLHYSEIA-NRFANRHFSA-N 400.544 3.362 10 40 HGCB O=C(NN1C(=O)/C(=C/c2ccc3ncccc3c2)SC1=S)c1ccccc1O 54360788 IQCMIHSADHFBDE-BOPFTXTBSA-N 407.476 3.487 10 40 HGCB COc1ccc2c(/C=C3\SC(=S)N(CCCN4CCOCC4)C3=O)c[nH]c2c1 102733205 LRNBMUORZLYIPU-WQRHYEAKSA-N 417.556 3.100 10 40 HGCB Cc1ccc(C(=O)O)cc1N1C(=O)/C(=C2/C(=O)N(C)c3ccccc32)SC1=S 5552073 JYVWLLPCFJFIFS-NXVVXOECSA-N 410.476 3.446 10 40 HGCB COC(=O)c1ccc(Cl)c(NC(=S)NCc2ccc(N3CCOCC3)cc2)c1 225420952 YHKVYPJIMDBZLD-UHFFFAOYSA-N 419.934 3.450 10 40 HGCB CCOc1ccc(C(=O)O)cc1/C=C1\C(=O)NC(=O)N(c2cc(C)ccc2C)C1=O 408831975 QKCIATACGSXFPO-LFIBNONCSA-N 408.410 3.067 10 40 HGCB COc1ccc(N2C(=O)/C(=C/c3ccc(Cl)s3)C(=O)NC2=S)c(OC)c1 409106016 MBMMCQMJFDYQML-DHZHZOJOSA-N 408.888 3.250 10 40 HGCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1O 2773510 PEMHJJPBCXPGKK-LFYBBSHMSA-N 407.209 3.374 10 40 HGCB Cn1cccc1/C=C1/SC(=S)N(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O 8870251 CMFGMXGTXADHDG-MDWZMJQESA-N 405.417 3.070 10 40 HGCB O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc([N+](=O)[O-])cc1O 9444388 IBZRRPKCGZJMOZ-NTUHNPAUSA-N 421.481 3.202 10 40 HGCB CC(=O)[C@H](/N=N\c1ccc(S(N)(=O)=O)cc1)C(=O)Nc1cccc2ccccc12 104123697 IEADFHIYHFNJGI-OAFDPHIXSA-N 410.455 3.167 10 40 HGCB Cc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2C)C1=O 409073179 XXZRUKJVCLFWGF-XSFVSMFZSA-N 419.481 3.115 10 40 HGCB C[C@@H](C(=O)O)n1ccc2cc(/C=C3\C(=O)NC(=S)N(c4ccccc4)C3=O)ccc21 409195300 UAOJMAZROOQNKV-VLURKWGBSA-N 419.462 3.118 10 40 HGCB COc1ccccc1/C=C1/SC(=S)N(NC(=O)c2ccccc2OC)C1=O 3071915 MJOTVQZVMNAIMJ-LFIBNONCSA-N 400.481 3.250 10 40 HGCB COc1ccc(N2C(=O)/C(=C3/C(=O)N(C)c4ccccc43)SC2=S)c(OC)c1 4291580 BITFGCZZYNZICL-MSUUIHNZSA-N 412.492 3.456 10 40 HGCB Cc1cc(C(=O)NN2C(=O)C[C@H](c3ccccc3)C2=O)c(C)n1-c1ccc(F)cc1 32929463 CJMATBKPCBXGDL-HXUWFJFHSA-N 405.429 3.421 10 40 HGCB O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C/C(Cl)=C/c2ccccc2)SC1=S 54152853 BNCGAKWUQJEJFG-IJXWFBFISA-N 411.888 3.329 10 40 HGCB CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1cc(Cl)cc(S(=O)(=O)O)c1O 100119364 LSFNRVBPDLEXDS-HLAUDOPJSA-N 408.823 3.167 10 40 HGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3O)C2=O)c(C)c1 408888633 YEASRJIENAUFPR-NTEUORMPSA-N 415.243 3.438 10 40 HGCB COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3C)C2=O)ccc1O 2452923 YLOAPIRKPXFIEY-YBEGLDIGSA-N 400.481 3.255 10 40 HGCB COc1ccc(OC)c(N2C(=O)N=C(O)/C(=C/c3ccc(OC)c(OC)c3)C2=O)c1 9334723 NFBQIRZWWVEEJM-ZROIWOOFSA-N 412.398 3.228 10 40 HGCB CN1C(=O)NC(=O)/C(=C/c2cc(Br)c(Sc3ccccc3)o2)C1=O 408997887 OVNKNFOVNOUSSP-XFFZJAGNSA-N 407.245 3.285 10 40 HGCB CCCOc1ccc(/C=C2\C(=O)NN(c3ccc(C(=O)OCC)cc3)C2=O)cc1OC 2907322 CQYJEUICUPQCAC-QGOAFFKASA-N 424.453 3.122 10 40 HGCB COc1cc2nc3cc([N+](=O)[O-])ccc3c(NCCNCC(C)(C)O)c2cc1OC 4748027 YRXHESBZDFBTMV-UHFFFAOYSA-N 414.462 3.086 10 40 HGCB O=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC(=S)N1N1CCOCC1 8834045 GBAKLMHTDWXNQG-WJDWOHSUSA-N 417.468 3.303 10 40 HGCB COc1cc(N(C)C)ccc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2)C1=O 408723577 WYOMUJKRKKQNRU-CXUHLZMHSA-N 415.902 3.246 10 40 HGCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCc1cc(C)cc(C)c1 408888060 WGKCYIAUOYNREV-UHFFFAOYSA-N 410.495 3.195 10 40 HGCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccc(F)cc1 409393913 TTZHKKZRKCOKIA-XDHOZWIPSA-N 404.401 3.295 10 40 HGCB O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1cccc(I)c1 859656 PXFRVWNUHIQTIA-NTEUORMPSA-N 424.625 3.406 10 40 HGCB CN(C)CCOC(=O)CCCN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S 5181809 GRSWKHIKUGNPSY-NTCAYCPXSA-N 412.964 3.426 10 40 HGCB COc1ccc(N2C(=O)/C(=C\c3ccc(N4CCCC4)c(C)c3)C(=O)NC2=S)cc1 5570680 MHSHXNBDMVDTCO-RGEXLXHISA-N 421.522 3.435 10 40 HGCB O=C1/C(=C\c2ccncc2)SC(=S)N1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 8870254 YKFVESOIIYJYDG-NTUHNPAUSA-N 403.401 3.126 10 40 HGCB O=C1[C@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccccc1 18091170 BRPXBFGWZBBNCG-HKBOAZHASA-N 423.424 3.382 10 40 HGCB COCCn1c(-c2ccc(C)cc2)cnc1SCC(=O)Nc1nnc(C)s1 44085898 OJLZVTPQJQLFFR-UHFFFAOYSA-N 403.533 3.396 10 40 HGCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(OC)c1 408914226 OOKBAJXVXGICOB-WOJGMQOQSA-N 411.433 3.347 10 40 HGCB Cc1cc(/C=C2\SC(=O)N(CC(=O)NCC(C)C)C2=O)ccc1N1CCCC1 409208226 AXPHWEIWZAEJIM-WQRHYEAKSA-N 401.532 3.404 10 40 HGCB COc1ccc(NC(=S)NCCCN2CCN(c3ccc(OC)cc3)CC2)cc1 4624051 CEEVRDXZAWPQMI-UHFFFAOYSA-N 414.575 3.203 10 40 HGCB C[C@@H]1CCC[C@H](NC(=O)c2ccc3c(c2NCCO)C(=O)c2ccccc2C3=O)[C@@H]1C 4834428 ZBMXUUQVKKVKFH-SXGZJXTBSA-N 420.509 3.421 10 40 HGCB COc1ccc(CN2CCC[C@@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)c(O)c1 19551820 JJXGYPJYCXSGGV-CQSZACIVSA-N 410.923 3.232 10 40 HGCB Cc1cc(O[C@H](C)C(=O)NCc2ccc(N3CCN(C)CC3)cc2)ccc1Cl 222859273 XYSFECMKJZHXNN-QGZVFWFLSA-N 401.938 3.484 10 40 HGCB COc1ccc(OC)c(-c2c(C)c3ccc(O)c(CN4CCOCC4)c3oc2=O)c1 20612438 CDDAJNATQBYONW-UHFFFAOYSA-N 411.454 3.323 10 40 HGCB biogenic COc1ccc(C(=O)Oc2ccc(/C=C3\C(=N)N4OC(C)=CC4=NC3=O)cc2)cc1 41078394 PUWYHNQENBMGBM-ZXTIBJMCSA-N 403.394 3.365 10 40 HGCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc(Oc2ccc([N+](=O)[O-])cn2)c1 107823982 OKZWZGGXEKSSIF-PDGQHHTCSA-N 402.366 3.244 10 40 HGCB COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1Cc1cc(C)cc(C)c1 408867342 JSBDSLUGGZAFOQ-UHFFFAOYSA-N 414.914 3.471 10 40 HGCB Cc1cc(/C=C/C(=O)N2C[C@H](C(N)=O)Oc3ccccc32)c(C)n1Cc1ccco1 6607798 OTCYUHRHEUGCTN-LCCNJJIFSA-N 405.454 3.039 10 40 HGCB Cc1cc(C)n(Cc2ccc(C(=O)NCc3ccc(N4CCN(C)CC4)cc3)cc2)n1 225294068 BLAJVAZYAUNHRJ-UHFFFAOYSA-N 417.557 3.230 10 40 HGCB O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1 408875360 DUGUAZJGIABWPG-UHFFFAOYSA-N 407.278 3.487 10 40 HGCB Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C/c2ccccc2O)C1=O 408900738 UIMGIRNICQDMKQ-LCYFTJDESA-N 401.216 3.130 10 40 HGCB CN1CCCc2cc([C@H](CNS(=O)(=O)c3ccccc3Cl)N(C)C)ccc21 8798797 IRORSHBQTMHVGJ-IBGZPJMESA-N 407.967 3.304 10 40 HGCB Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCO)c2C)nc1 223584685 QDBLISWQKNTSOY-SFTDATJTSA-N 407.543 3.157 10 40 HGCB Cc1cc(/C=C2/NC(=O)N(C)C2=O)c(C)n1-c1cccc(I)c1 409195124 TYSPLEUYPMPYSC-OVCLIPMQSA-N 421.238 3.221 10 40 HGCB CCOC(=O)Cc1csc(NC(=O)CSc2ncc(-c3ccccc3)n2C)n1 7423204 ULOARFUYAYWSIV-UHFFFAOYSA-N 416.528 3.380 10 40 HGCB COc1ccc2c(/C=C3/SC(=S)N(CCCN4CCOCC4)C3=O)c[nH]c2c1 13692752 LRNBMUORZLYIPU-WOJGMQOQSA-N 417.556 3.100 10 40 HGCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc(Cl)c1OC(C)C 409393340 QJDSPUWLVOAZPC-RIYZIHGNSA-N 415.833 3.197 10 40 HGCB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(N4CCCC4)cc3F)C2=O)c1 4498345 HOSCDHFDJBDKIP-UDWIEESQSA-N 422.460 3.266 10 40 HGCB COc1ccc(N2CCN([C@H](c3ccco3)c3sc4ncnn4c3O)CC2)cc1 22610130 PRZAIVJHVXQZPB-QGZVFWFLSA-N 411.487 3.010 10 40 HGCB CCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2Cc1cc2c(cc1O)OCO2 26638915 ABIZPVLWSDPTCN-UHFFFAOYSA-N 418.515 3.104 10 40 HGCB COc1ccc(/C=C2/SC(=S)N(CC(=O)N3CCCCCC3)C2=O)cc1OC 27530657 WBNWSZQUFJQDIA-SFQUDFHCSA-N 420.556 3.308 10 40 HGCB CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OC(=O)c1ccco1 41078392 ZYTDTMMWZPMAAG-PIIADTLSSA-N 407.382 3.348 10 40 HGCB O=C1NC(=S)NC(=O)C1=Cc1cc(Br)ccc1Cc1ccccc1F 408867320 IEPBRNUEHMAZIH-UHFFFAOYSA-N 419.275 3.093 10 40 HGCB Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCC2)c1 9135515 IJMLJYWGGOVIIX-QHCPKHFHSA-N 420.557 3.269 10 40 HGCB COC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)C1=O 9259571 YXICCXMAVKTUEX-RIYZIHGNSA-N 422.268 3.467 10 40 HGCB O=C1/C(=C\c2ccc3c(c2)OCO3)SC(=S)N1C(=O)c1cccc([N+](=O)[O-])c1 16399780 VEOIZQDRWDSYMI-VIZOYTHASA-N 414.420 3.365 10 40 HGCB CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1ccc(Oc2ccccc2)cc1 101483230 UXNLWCBIYUZSIO-NNIWKIFQSA-N 411.483 3.180 10 40 HGCB CCN(CC)c1ccc(CNC(=O)[C@@H](C)N(c2ccccc2F)S(C)(=O)=O)cc1 224418625 LZQFAUNKDUOHKD-MRXNPFEDSA-N 421.538 3.143 10 40 HGCB COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(O)c(OC)c1 408896761 ZVLAVCGNXWGUCF-WQRHYEAKSA-N 409.438 3.282 10 40 HGCB O=C1/C(=C/c2ccco2)SC(=S)N1CCCC(=O)N(CCO)c1ccccc1 1863363 BADKQQIPCCCSDD-VKAVYKQESA-N 416.524 3.287 10 40 HGCB O=C(CN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccccc1[N+](=O)[O-] 5234196 AAPQASIEVYWANC-JYRVWZFOSA-N 405.482 3.496 10 40 HGCB COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccc(O)c(OC)c1 6202293 IITAQYNIMIYVST-YBEGLDIGSA-N 410.382 3.186 10 40 HGCB CN1CCN([C@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)c2ccc(N(C)C)cc2)CC1 22589404 PCHIDKASECONBV-LKUXSMQASA-N 424.633 3.374 10 40 HGCB CN1C(=O)C(=Cc2ccc(OC(=O)c3cccs3)c(Cl)c2)C(=O)N(C)C1=O 41077928 GDODTMFNUTWVLT-UHFFFAOYSA-N 404.831 3.055 10 40 HGCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(N3CCCCC3)o2)C1=O 409246448 IMRKKLJKBJTTEI-JQIJEIRASA-N 409.442 3.335 10 40 HGCB CCN(CC)c1ccc(N/C=C2/C(=O)NC(=O)N(c3ccccc3OC)C2=O)cc1 6418020 NELQURVMFUINRX-VKAVYKQESA-N 408.458 3.120 10 40 HGCB Cc1cc(C(=O)CN2c3ccccc3C[C@H]2C)c(C)n1-c1ccc(S(N)(=O)=O)cc1 6587178 DIBAQBUMXLFWPP-OAHLLOKOSA-N 423.538 3.375 10 40 HGCB Cc1cccc(N2C(=O)/C(=C/c3ccc(Br)o3)C(=O)NC2=S)c1C 409134976 OZJQNNNATRUCRN-XYOKQWHBSA-N 405.273 3.490 10 40 HGCB COc1ccc(-n2c(C)cc(C(=O)COc3ccc(-n4cnnn4)cc3)c2C)cc1 2649679 ZACCZHWIUFFGNQ-UHFFFAOYSA-N 403.442 3.340 10 40 HGCB COc1ccc(N2CCN(C(=O)COC(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 3555415 SIWCXDGOTQTCDJ-UHFFFAOYSA-N 410.514 3.498 10 40 HGCB CC[C@@H](C)N1C(=O)/C(=C/c2c(N3CCCC3)nc3ccccn3c2=O)SC1=S 6355838 ROHXECVAWQJHNK-DKXRRRNBSA-N 414.556 3.294 10 40 HGCB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc(=O)[nH]c3ccccc23)cc1 8425094 HVAYLAQPRXOBDQ-LJQANCHMSA-N 405.498 3.416 10 40 HGCB O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC(=S)N1N1CCOCC1 8834044 FEGHOPXUUNDFTC-WJDWOHSUSA-N 417.468 3.303 10 40 HGCB Cc1ccc(N2NC(=O)/C(=C/c3ccc(-c4ccc(C(N)=O)cc4)o3)C2=O)cc1Cl 32099664 AMLRBDUBDKTCLS-BOPFTXTBSA-N 421.840 3.469 10 40 HGCB Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)cc1 35351261 NGSFYFSCGBQXGJ-UHFFFAOYSA-N 422.573 3.255 10 40 HGCB CN1C(=O)C(=Cc2ccc(-c3cccc(Br)c3)o2)C(=O)N(C)C1=S 59139723 AIHCLZDREBVGSZ-UHFFFAOYSA-N 405.273 3.308 10 40 HGCB COc1ccc2ccccc2c1/C=C1/C(=O)N(c2ccc(S(N)(=O)=O)cc2)N=C1C 108422691 QIQJWILBRHBFMD-CPNJWEJPSA-N 421.478 3.302 10 40 HGCB CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)C1 260507608 NATMTAJKEOTYID-BJLQDIEVSA-N 421.607 3.162 10 40 HGCB Cc1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4cccnc4)C3=O)o2)cc1[N+](=O)[O-] 409248806 QXMHPTSFVVXKHT-MHWRWJLKSA-N 418.365 3.225 10 40 HGCB COC(=O)[C@H](C)N1C(=O)/C(=C/c2cc(Br)ccc2OC)SC1=S 1239095 DVEBHTMHQRNPNH-VQLBTBKJSA-N 416.318 3.220 10 40 HGCB O=C1/C(=C/c2cc3cc4c(cc3[nH]c2=O)OCO4)SC(=S)N1c1ccc(O)cc1 51330769 KFUORCBFVHKRAQ-IDUWFGFVSA-N 424.459 3.368 10 40 HGCB COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)c1O 101057775 QTHGDONZKVGCNF-VWPQPMDRSA-N 416.433 3.452 10 40 HGCB CCOc1cc2c(cc1/C=C1/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C1=O)OCO2 409097865 HQBLUHFHZJXEJD-PXNMLYILSA-N 408.410 3.097 10 40 HGCB O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc([N+](=O)[O-])cc1 4263455 GXNUTRAEZNUYJV-MDWZMJQESA-N 405.482 3.496 10 40 HGCB CN1CCCc2cc([C@H](CNS(=O)(=O)c3ccc(Cl)cc3)N(C)C)ccc21 8798830 HFLGLGLPZJFRFN-FQEVSTJZSA-N 407.967 3.304 10 40 HGCB O=C1/C(=C\c2ccccc2Cl)SC(=S)N1CC(=O)N1CCCC[C@H]1CCO 33538540 WKWZGQCNTUYLHU-LUYJPIOASA-N 424.975 3.305 10 40 HGCB O=C1c2ccccc2C(=O)c2c1c(C(=O)N1CCCC[C@H]1CCO)c1ccccn21 95480020 PNNYDMYKHSWGRW-HNNXBMFYSA-N 402.450 3.092 10 40 HGCB CCc1nnc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3)SC2=S)s1 3066919 OUNJHKRZRSSQKN-BENRWUELSA-N 404.542 3.331 10 40 HGCB C[C@H](C(=O)N1CCCC[C@@H]1CCO)N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 6660456 DAEYOFNJLRVTLV-LMXARPBLSA-N 422.547 3.179 10 40 HGCB COc1ccc(N2CCN(C(=O)C3CCN(Cc4ccc(F)cc4)CC3)CC2)cc1 39762679 IIDZDHUAXHEDTA-UHFFFAOYSA-N 411.521 3.395 10 40 HGCB COCCn1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)c1C 96254765 ITRDUIIWQRANDL-XDHOZWIPSA-N 411.527 3.199 10 40 HGCB O=C1NC(=S)NC(=O)C1=Cc1ccc(Cc2ccccc2F)c(Br)c1 408873144 NOTNTHBKLYJJGG-UHFFFAOYSA-N 419.275 3.093 10 40 HGCB CN(C)CCCOc1cccc2c1C(=O)c1c(OCCCN(C)C)cccc1C2=O 4783345 WYALCKNWMZWZCV-UHFFFAOYSA-N 410.514 3.123 10 40 HGCB O=C(NN1C(=O)/C(=C\C=C\c2ccco2)SC1=S)c1cccc([N+](=O)[O-])c1 12492108 WRCBZVLAZJQUBW-BOAPOFAJSA-N 401.425 3.290 10 40 HGCB COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)c1O 18020595 QTHGDONZKVGCNF-ONTIZHBOSA-N 416.433 3.452 10 40 HGCB Cc1cc([N+](=O)[O-])ccc1N/C=C1\C(=O)N(Cc2ccco2)C(=O)N(C(C)C)C1=O 6796653 HOVDMBRGSZNQDS-MHWRWJLKSA-N 412.402 3.191 10 40 HGCB O=C(O)COc1ccc(/C=C2\SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc1 13058530 FVIQUQMGDJSQHL-NVNXTCNLSA-N 415.448 3.254 10 40 HGCB Cc1cc(C(=O)[C@H](C)Sc2nc(N)nc(N)n2)c(C)n1-c1ccc(Cl)cc1 5635894 LCXLPXHMLZFDFM-NSHDSACASA-N 402.911 3.460 10 40 HGCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccccn1 223607784 ZUJFIFVOTLXDDB-SFTDATJTSA-N 407.543 3.239 10 40 HGCB COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(Cl)c1OCc1ccccc1 408908840 DLGGWDQLHGNFDS-RIYZIHGNSA-N 416.886 3.184 10 40 HGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccc([N+](=O)[O-])cc3)C2=O)cc1 408965596 WFACGYQKHINGPB-CPNJWEJPSA-N 416.393 3.360 10 40 HGCB Cc1cc(C)n2nc(C(=O)OCC(=O)c3cc(C)n(-c4ccccc4)c3C)nc2n1 3370240 HBPGTDSBJZPRFH-UHFFFAOYSA-N 403.442 3.188 10 40 HGCB CCC(=O)N1CCCc2cc([C@@H](O)CN3CCN(c4ccc(OC)cc4)CC3)ccc21 19498889 WORWSOCMCNIKBX-DEOSSOPVSA-N 423.557 3.240 10 40 HGCB COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)N1CCCC1 408571954 DMWNKQGGEGXQRP-BOPFTXTBSA-N 420.556 3.306 10 40 HGCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)n1C[C@H]1CCCO1 409198458 AUYBGUAAIRLTBG-LSCADSNKSA-N 409.511 3.115 10 40 HGCB Cc1cc(C(=O)CSc2nnnn2C[C@H]2CCCO2)c(C)n1-c1cccc(F)c1 9477967 ONZVYSJYBAROPJ-QGZVFWFLSA-N 415.494 3.374 10 40 HGCB CS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1Cl 22525908 OOTHDDXYUGZUIP-UHFFFAOYSA-N 407.923 3.242 10 40 HGCB CCOC(=O)CSc1ncc(-c2ccc(Br)cc2)n1CC(=O)OC 44085294 FQDUEJQKFZALPL-UHFFFAOYSA-N 413.293 3.141 10 40 HGCB CN1CCCc2cc(CNS(=O)(=O)c3ccccc3OC(F)(F)F)ccc21 58511328 CBEBVSDMWHXPID-UHFFFAOYSA-N 400.422 3.446 10 40 HGCB Nc1c(Br)cc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1Br 100700174 NLKVWHQCXYJBIK-DTORHVGOSA-N 400.070 3.249 10 40 HGCB C[C@@H](N/C=C1/C(=O)NC(=S)N(c2ccc(F)c(Cl)c2)C1=O)c1ccccc1 108894222 FDGQBVGCGWNJLZ-UXEDPAHQSA-N 403.866 3.462 10 40 HGCB COc1ccc(NC2(NC(=O)c3ccc(OC)cc3)C(=O)c3ccccc3C2=O)cc1 226297726 DKJXAECJOWILRV-UHFFFAOYSA-N 416.433 3.321 10 40 HGCB CC[C@H](C)c1ccccc1OCCOc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1 4672858 MWNSEWHKZOAHSE-HNNXBMFYSA-N 408.454 3.407 10 40 HGCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1O 4704574 TXWSWOCGUOEZDN-WUXMJOGZSA-N 407.209 3.374 10 40 HGCB CCN1C(=O)/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)NC1=S 6630141 GFZYHKXZPVOBDZ-WOJGMQOQSA-N 407.470 3.475 10 40 HGCB COc1ccc(C=C2C(=O)NC(=O)NC2=O)c(OCc2c(C)ccc3ccccc23)c1 408804495 XXNJMZXJZAMMGZ-UHFFFAOYSA-N 416.433 3.485 10 40 HGCB CC(=O)Nc1ccc(/C=C2/SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)cc1 19943474 CJBXNVULPDLIST-RCCKNPSSSA-N 420.538 3.433 10 40 HGCB COc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O 408815977 SBDSIOKWUUCJRI-LDADJPATSA-N 417.377 3.423 10 40 HGCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1O 5186511 RHACDXVBUOEVGD-VGOFMYFVSA-N 400.818 3.337 10 40 HGCB CN1C(=O)/C(=C\c2ccc3c(c2)CCN3Cc2ccccc2Cl)C(=O)NC1=S 5844068 SNDWOCOUFPWKAY-WJDWOHSUSA-N 411.914 3.159 10 40 HGCB Cc1cc(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c(C)n1-c1ccc2c(c1)CCC2 7148885 YBQXJQKDZAOTRA-DEOSSOPVSA-N 405.498 3.486 10 40 HGCB CCOC(=O)c1c(C)[nH]c(/C=C2\C(=O)NC(=O)N=C2O)c1Cc1cccc(Cl)c1 11690113 RXJUFKRBAOWAIU-UHFFFAOYSA-N 415.833 3.334 10 40 HGCB CN1C(=O)/C(=C/c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)C(O)=NC1=S 16188913 PGUKAJICCPJKBH-RIYZIHGNSA-N 409.423 3.078 10 40 HGCB Cc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1C 22733751 ZZTJNTHLLYBNDR-XMMPIXPASA-N 406.574 3.014 10 40 HGCB COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c1OC 409222921 YERNMCRDEKYBED-NTEUORMPSA-N 416.886 3.497 10 40 HGCB O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C\c1cc2c(cc1Br)OCO2 6974468 KIRYNGXCMRHHRL-QCDXTXTGSA-N 421.634 3.293 10 40 HGCB O=C1/C(=C\c2cc3cc4c(cc3[nH]c2=O)OCO4)SC(=S)N1c1cccc(O)c1 9420048 OVQHGWGAXMECCX-UBKPWBPPSA-N 424.459 3.368 10 40 HGCB COc1cccc2ccc(/C=C3\SC(=S)N(NC(=O)c4ccncc4)C3=O)nc12 13727767 JUQNWQMFKXGMKG-WJDWOHSUSA-N 422.491 3.185 10 40 HGCB COC(=O)c1c(NC(=O)[C@@]23CC[C@](C)(C(=O)C2=O)C3(C)C)sc2c1CCCC2 100868475 IOILIKOBAUUZLO-NHCUHLMSSA-N 403.500 3.317 10 40 HGCB COc1ccc(N2CCN(C[C@@H](O)CO[C@H]3C(C)(C)[C@H]4CC[C@@]3(C)C4)CC2)cc1 229949428 WEAXTKZCSPKKGW-FVSDWULHSA-N 402.579 3.410 10 40 HGCB CN(C)c1ccc(-n2cccc2/C=C2/C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1 9265006 JALDXYGRCHIKQP-ZHZULCJRSA-N 418.428 3.349 10 40 HGCB CCOc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)cc1 16838342 VGMXIXHGBMHEIZ-XMMPIXPASA-N 423.557 3.271 10 40 HGCB COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NC1CCCCC1 112124771 WDQRKLWTMIXPMK-UYRXBGFRSA-N 400.435 3.057 10 40 HGCB O=C(O)CCN1C(=O)/C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)SC1=S 8419522 GSLXTSIGJQSWMB-GXDHUFHOSA-N 403.441 3.061 10 40 HGCB CCN1CCN(Cc2c(O)ccc3c(=O)c(Oc4cccc(OC)c4)coc23)CC1 20503701 WYGUEBNTOGECHZ-UHFFFAOYSA-N 410.470 3.437 10 40 HGCB Cn1c(=O)c(C2=NNC(=O)/C2=C\c2ccc(Cl)cc2Cl)c(O)c2ccccc21 100260863 GLNWORBFLMPWGA-JYRVWZFOSA-N 414.248 3.468 10 40 HGCB CCc1nnc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)s1 4601092 GPOGDOVJZORWDO-UHFFFAOYSA-N 408.395 3.036 10 40 HGCB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(N4CCCC4)cc3C)C2=O)cc1 9264354 AFXWGRMCMBFSTJ-KGENOOAVSA-N 418.497 3.435 10 40 HGCB O=C1C[C@@H](NCCCN2CCOCC2)C(=O)N1c1ccc(/N=N\c2ccccc2)cc1 100712866 DGPKHVBKAVUMDY-RGCCPRADSA-N 421.501 3.046 10 40 HGCB O=[N+]([O-])c1cccc(-c2nc(/N=N/c3n[nH]c(-c4cccc([N+](=O)[O-])c4)n3)n[nH]2)c1 408718141 MEURHIYZDMCTBB-WCWDXBQESA-N 406.322 3.489 10 40 HGCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(Br)o2)C1=O 409232341 QDTMFDXOIRBGBZ-PKNBQFBNSA-N 405.204 3.107 10 40 HGCB Cc1cccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c1 408951815 KERAJWHMSHNXLA-WOJGMQOQSA-N 415.405 3.181 10 40 HGCB CC(=O)Oc1ccc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc1 409345260 KZNHWJFKBQWXRE-NTEUORMPSA-N 404.494 3.220 10 40 HGCB COc1ccc(N2CCN(c3ncnc4c3cnn4-c3ccc(C)cc3)CC2)cc1 4323008 ALGVLWHVAOKBHH-UHFFFAOYSA-N 400.486 3.459 10 40 HGCB COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(N(C)C)cc1 4705343 LYEZMQRLCFTLMM-HXUWFJFHSA-N 404.474 3.280 10 40 HGCB CCN(CC)C(=O)c1ccc(N/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1 6511118 DLCAAKFLITWBCM-RGEXLXHISA-N 420.469 3.056 10 40 HGCB O=C1N=C(O)/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1c1ccc2c(c1)OCO2 8861773 LJOCTDJMJVLBOX-WUXMJOGZSA-N 415.745 3.484 10 40 HGCB O=C(O)C[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccccc3F)o2)SC1=S 40144918 AAIWBUMKBFIDIL-AISSWFOISA-N 421.427 3.215 10 40 HGCB COc1ccccc1N1C(=O)[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccccc2O)C1=O 102698367 ZGNWMGQGNCLURU-FDFHNCONSA-N 416.433 3.452 10 40 HGCB CN(C)c1ccc(/C=C2\SC(=O)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 408763925 GKYNYXXYNLQDRB-WJDWOHSUSA-N 412.427 3.042 10 40 HGCB CCOc1cc2c(cc1/C=C1/C(=O)NC(=S)N(c3ccc(C)cc3C)C1=O)OCO2 409101814 YXHYCAOZQXCOJV-NVNXTCNLSA-N 424.478 3.262 10 40 HGCB COc1ccc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc1[N+](=O)[O-] 409339745 XQGMQAVUSKWLHY-MDWZMJQESA-N 421.481 3.211 10 40 HGCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OC(C)C 33645352 ZWNMHCYOJCVPGH-YBEGLDIGSA-N 411.414 3.242 10 40 HGCB CN1CCN(c2ccc(CNC(=O)[C@H]3CCCN(Cc4ccc(F)cc4)C3)cc2)CC1 222602641 FZNGAKOYPSCHND-QFIPXVFZSA-N 424.564 3.106 10 40 HGCB O=C(NN1C(=O)/C(=C/c2cccc3cccnc23)SC1=S)c1ccc(O)cc1 13689248 DFIJOWVVFGAQRA-WJDWOHSUSA-N 407.476 3.487 10 40 HGCB O=C(CN1C(=O)S/C(=C/c2ccc(N3CCCCC3)c(F)c2)C1=O)N1CCCC1 408550880 KNSDOCPMAIRZGH-QGOAFFKASA-N 417.506 3.475 10 40 HGCB CN(C)c1nc2sc(C(=O)NCc3ccc(N4CCOCC4)cc3)cc2s1 54285484 HIFCSGSDYIQVKE-UHFFFAOYSA-N 402.545 3.190 10 40 HGCB O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)NCCc1ccc(O)cc1 33585130 HSCIYULXEWUNKB-XNTDXEJSSA-N 404.538 3.014 10 40 HGCB CCN(c1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1)S(C)(=O)=O 218778995 BVZOQFJANMHZGS-UHFFFAOYSA-N 415.559 3.393 10 40 HGCB O=C(Cn1cc(/C=C2/C(=O)Nc3ccccc32)c2ccccc21)NC[C@@H]1CCCO1 3646610 VRUQHYYHPXIYIZ-RONKMWSCSA-N 401.466 3.429 10 40 HGCB CN1C(=O)/C(=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)c2ccccc21 4516955 KYVTZVUUEGWAKH-XSFVSMFZSA-N 401.466 3.017 10 40 HGCB CCOc1cc(/C=C2\C(=O)N(c3nnn[nH]3)N=C2C)ccc1OCCc1ccccc1 4682591 BZIJPYXKVAFORO-AQTBWJFISA-N 418.457 3.026 10 40 HGCB CNc1ccc(Nc2ccc(S(=O)(=O)O)cc2)c2c1C(=O)c1ccccc1C2=O 4830680 GWWDAULFDSFQJR-UHFFFAOYSA-N 408.435 3.494 10 40 HGCB O=C1NC(=S)NC(=O)C1=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 5428620 RPVRLMUGKJHVIU-UHFFFAOYSA-N 407.278 3.487 10 40 HGCB Cc1cc(C(=O)CN2c3ccccc3C[C@@H]2C)c(C)n1-c1ccc(S(N)(=O)=O)cc1 6587177 DIBAQBUMXLFWPP-HNNXBMFYSA-N 423.538 3.375 10 40 HGCB O=C(O)c1ccc(N2C(=O)/C(=C/c3cccc4nccnc34)SC2=S)cc1O 13726378 DFCAQRXDXZRWLX-NVNXTCNLSA-N 409.448 3.439 10 40 HGCB CCN(CC)CCNC(=O)[C@H]1Cc2ccccc2CN1Cc1cc(Cl)ccc1O 199407699 CJDAMLTZDNRNCI-OAQYLSRUSA-N 415.965 3.431 10 40 HGCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)CCN3C(=O)[C@H]4CC=CC[C@H]4C3=O)cc2)C1 219018950 BHFQACFUBDFDGJ-YHBROIRLSA-N 423.557 3.441 10 40 HGCB Cc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccncc4)C3=O)c2C)cc1 409391950 KLWGUVFUODOZEJ-MOSHPQCFSA-N 400.438 3.464 10 40 HGCB Cc1cccc2c(=O)c(/C=C3/C(=O)N(c4ccccc4)C(=S)N=C3O)c(O)[nH]c12 1087360 BYTJCCRDZXAVLY-XNTDXEJSSA-N 405.435 3.214 10 40 HGCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1Br 1504507 VLCSAPLQKDLDLX-NTEUORMPSA-N 415.243 3.433 10 40 HGCB CN(C)c1ccc(CN(C(=O)c2cccc(Cl)c2)[C@H]2CCS(=O)(=O)C2)cc1 4164182 QXSJANOLBTYDMV-IBGZPJMESA-N 406.935 3.236 10 40 HGCB COc1cccc(/C=C2\SC(N3CCN(c4ccccc4F)CC3)=NC2=O)c1O 9189265 QDPIYZQXTUQASV-AQTBWJFISA-N 413.474 3.332 10 40 HGCB CCOc1ccc2cc(Br)ccc2c1C=C1C(=O)N(C)C(=O)N(C)C1=O 16693098 ZBLYRKCSFVEQKQ-UHFFFAOYSA-N 417.259 3.435 10 40 HGCB COc1ccc(N2CCN(CC(=O)Nc3nc4c(s3)C[C@@H](C)CC4)CC2)cc1 18181938 RCAXOPGKGAPBCK-HNNXBMFYSA-N 400.548 3.037 10 40 HGCB COc1ccc(N2CCN([C@@H](CC(C)C)c3nnnn3Cc3ccco3)CC2)cc1 57671294 SBIPCUNAZUAOHJ-NRFANRHFSA-N 410.522 3.232 10 40 HGCB COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1ccc(Br)cc1 970754 QWQDADXMOAGZEA-HEUOVEHFSA-N 406.276 3.301 10 40 HGCB CN1CCN(c2ccc(/C=C3\C(=O)N(c4ccc(Cl)cc4)C(=O)N=C3O)o2)CC1 13546793 YBRCFBIPFCDMKM-VBKFSLOCSA-N 414.849 3.192 10 40 HGCB O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C/c1ccc(O)c([N+](=O)[O-])c1 13751600 NLUOXRLVMCDWSA-QGOAFFKASA-N 410.455 3.093 10 40 HGCB COc1ccc(N2CCN(C(=O)[C@H](NC(=O)[C@H]3CCCC[C@@H]3C)C(C)C)CC2)cc1 13942074 AFIXIVAVUFHZSE-YUXAGFNASA-N 415.578 3.311 10 40 HGCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc(OCc2ccc3c(c2)OCO3)c1 33656237 DSXBSQIJQYDBFR-NDENLUEZSA-N 414.417 3.456 10 40 HGCB COc1cccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c1OCc1ccccc1Cl 96193704 KZPDLDRMHMAHBH-UHFFFAOYSA-N 414.845 3.361 10 40 HGCB C[C@@H](C(=O)N1CCCC[C@H]1CCO)N1C(=O)/C(=C\c2ccccc2)SC1=S 6660662 PMELIGHKNHXTEV-LEKKXJIISA-N 404.557 3.040 10 40 HGCB O=C1/C(=C/c2ccc(Cl)cc2)C(N2CCOCC2)=NN1c1ccc([N+](=O)[O-])cc1 31895884 HWLFXXQFOWNYRC-QGOAFFKASA-N 412.833 3.324 10 40 HGCB CCC[C@H](C(=O)O)N1C(=O)/C(=C\c2cc(OC)c(OC)c(OC)c2)SC1=S 33778459 VSNWNAOMMGEYDN-ZECSTPGPSA-N 411.501 3.167 10 40 HGCB Cc1ccc(N2C(=O)N=C(O)/C(=C\c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3O)C2=O)cc1 83318098 XTBTXEWOOVMMOM-NTUHNPAUSA-N 412.314 3.024 10 40 HGCB COc1ccc(OC)c(N2C(=O)N=C(O)/C(=C\c3ccc([N+](=O)[O-])s3)C2=O)c1 2290012 XYHFPHPBHDRPSH-DHZHZOJOSA-N 403.372 3.180 10 40 HGCB COC(=O)c1ccccc1NS(=O)(=O)c1cccc2c1C(=O)c1ccccc1C2=O 1773969 MAFUYLANIWIOEC-UHFFFAOYSA-N 421.430 3.049 10 40 HGCB COc1cc(/C=C2\C(=O)NC(=O)N(CCC3=CCCCC3)C2=O)cc(OC)c1OC 2277540 GRMQLPOFNLLECV-LFIBNONCSA-N 414.458 3.065 10 40 HGCB CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)ccc1OCc1ccc(F)cc1 4614528 VGTUBRHEJZEILZ-MHWRWJLKSA-N 414.458 3.060 10 40 HGCB COc1ccc(N2CCN(C(=O)CSc3ccc4c(c3)OCCCO4)CC2)cc1 5644228 UQNPMCDLZAAQCM-UHFFFAOYSA-N 414.527 3.297 10 40 HGCB COc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3O)[C@H]2C1=O 13597377 ZGNWMGQGNCLURU-FSSWDIPSSA-N 416.433 3.452 10 40 HGCB CCNC(=O)c1c(NS(=O)(=O)c2cc(OC)ccc2OC)sc2c1CCCC2 28249186 MTUXJNMUGVRGSI-UHFFFAOYSA-N 424.544 3.195 10 40 HGCB CCOc1ccc(Br)cc1/C=C1\SC(=S)N(CC(=O)OC)C1=O 409212131 PHOHZOSZBUFGNU-GHXNOFRVSA-N 416.318 3.222 10 40 HGCB Cc1cc(C(=O)Cn2cnc3ccccc3c2=O)c(C)n1-c1ccc2c(c1)OCO2 5689068 NDPVLGWNPBXWDP-UHFFFAOYSA-N 401.422 3.416 10 40 HGCB Cc1ccc(-n2c(C)cc(C(=O)COC(=O)Cn3c(C)csc3=O)c2C)cc1F 7700259 AYRAPXHQEQYAJI-UHFFFAOYSA-N 416.474 3.499 10 40 HGCB O=C(NN1C(=O)/C(=C\c2cccc(F)c2)SC1=S)c1cccc([N+](=O)[O-])c1 12032495 YCOHGZDNPOZGGV-RIYZIHGNSA-N 403.416 3.280 10 40 HGCB COC(=O)CN1C(=O)/C(=C/c2c(OC)ccc3ccc(OC)cc23)SC1=S 409211810 NCDPULOCTZZMKV-SXGWCWSVSA-N 403.481 3.231 10 40 HGCB Cc1cc(NC(=O)CN(C)Cc2ccc(N3CCOCC3)cc2)n(-c2ccccc2)n1 8160541 VXQSVIOFOKVKNT-UHFFFAOYSA-N 419.529 3.088 10 40 HGCB CCCCOc1ccc(/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1 13426868 NIVCCKGCLQZNTR-VQCBNXJZSA-N 411.570 3.254 10 40 HGCB COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)c1 16282057 VYGCLFDXXLEMQY-YBEGLDIGSA-N 415.243 3.433 10 40 HGCB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1cc(Br)ccc1O 16450254 IPXSHLQHRWQXMK-FLIBITNWSA-N 421.247 3.125 10 40 HGCB O=C1NC(=O)C(=Cc2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C(=O)N1 409089845 KQCJTGGNYOFFPK-UHFFFAOYSA-N 421.287 3.155 10 40 HGCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccccn1 409248774 QLEDDJCKTCNSEI-WOJGMQOQSA-N 404.401 3.295 10 40 HGCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/c3ccc(N4CCOCC4)cc3C)C2=O)c1 5931880 RDLAJOJEKWYNFQ-STZFKDTASA-N 419.481 3.115 10 40 HGCB Cc1cc(C(=O)Cn2ncc(=O)c3ccccc32)c(C)n1-c1ccc2c(c1)OCCO2 12542829 XJPULRUOKXKFOX-UHFFFAOYSA-N 415.449 3.458 10 40 HGCB COC(=O)c1ccc(-n2c(C)cc([C@@H]3NC(N)=Nc4nc5ccccc5n43)c2C)cc1 12619539 OUGIDVRHKJHYPC-HXUWFJFHSA-N 414.469 3.327 10 40 HGCB COc1cc(/C=C2/C(=O)NC(=O)N(c3c(C)cc(C)cc3C)C2=O)cc(OC)c1O 13774121 SMGRDNSCUACZIW-NVNXTCNLSA-N 410.426 3.001 10 40 HGCB CCOC(=O)COc1ccccc1/C=C1/C(=O)NN(c2ccc(C)c(Cl)c2)C1=O 17150113 UPXQFDFSISDICD-YBEGLDIGSA-N 414.845 3.052 10 40 HGCB COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Br)c1OC(C)C 408530102 KQQKLBGFBUDONW-QPEQYQDCSA-N 413.293 3.351 10 40 HGCB COc1cc2c(cc1C[C@H]1SC(=S)N(CCc3ccccc3)C1=O)OCO2 8114114 DVKHMICEYNSANW-GOSISDBHSA-N 401.509 3.438 10 40 HGCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\c1cccn1Cc1ccccc1Cl 13661254 IRTXMMCNJORYLN-BOPFTXTBSA-N 409.829 3.445 10 40 HGCB C[C@@H](Oc1cccnc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 21119670 WOPHDWPAWFYJNF-GFCCVEGCSA-N 417.377 3.171 10 40 HGCB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=C1/C(=O)N(c2ccc(F)cc2)C(=S)N=C1O 2208931 XNEPUFVOXNUGAD-PCJMVEANSA-N 422.441 3.379 10 40 HGCB COc1ccc(Cl)cc1-n1c(C)cc(C(=O)OCC(=O)NC[C@@H]2CCCO2)c1C 5694633 OVEVUGVYXMEOJI-INIZCTEOSA-N 420.893 3.208 10 40 HGCB CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccccc3)N3CCCCC3)ccc21 9138393 CQRCEEHYQUBYJJ-QHCPKHFHSA-N 420.557 3.351 10 40 HGCB COc1ccc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c(OC)c1OC 13766227 KUECVYDZDVEKMY-UVTDQMKNSA-N 400.362 3.358 10 40 HGCB Cc1cccc(N2C(=O)/C(=C\c3ccc(N4CCN(C)CC4)o3)C(O)=NC2=S)c1C 17094029 XMQGPEYYULCPDH-LGMDPLHJSA-N 424.526 3.320 10 40 HGCB C[C@@H](NS(=O)(=O)c1ccc2c(c1)CC(=O)N2C)c1ccc(N2CCCCC2)cc1 19715517 XLOZFRHICLXYPI-MRXNPFEDSA-N 413.543 3.235 10 40 HGCB CCN1C(=O)/C(=C/c2cn(CC(=O)NCCCOC)c3ccccc23)SC1=S 409128814 IXVFUOVMWWOYJT-BOPFTXTBSA-N 417.556 3.015 10 40 HGCB CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(F)cc3)N3CCCC3)ccc21 9135592 WPGARFJFHLDYOA-JOCHJYFZSA-N 424.520 3.100 10 40 HGCB COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(N)=O 9188522 LSRRECORFWZQJW-SXGWCWSVSA-N 418.471 3.104 10 40 HGCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OC 408790395 QZEMREUNFJMTSB-RIYZIHGNSA-N 400.818 3.332 10 40 HGCB O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(N2CCCC2)o1 409253245 ZGGBUKRVGWESBL-ACCUITESSA-N 401.875 3.365 10 40 HGCB COc1cc(OC)c([N+](=O)[O-])cc1/C=C1\C(=O)N(c2ccc(C)cc2)C(=O)N=C1O 33319768 RBEHQQOAKPWMDI-ZSOIEALJSA-N 411.370 3.427 10 40 HGCB CN(C)c1ccc(CNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)cc1 224073708 QHEBMQDNCKJGEA-UHFFFAOYSA-N 409.511 3.483 10 40 HGCB CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC)cc3O)C2=O)cc1 408901592 ZADBTODSWBJHBD-PDGQHHTCSA-N 410.426 3.246 10 40 HGCB CCN1C(=O)/C(=C/c2c(NCC(C)C)nc3ccc(C)cn3c2=O)SC1=S 2247005 MFBNKLWRQXKKNQ-ZSOIEALJSA-N 402.545 3.292 10 40 HGCB COc1ccc(-c2noc(CCC(=O)N3CCN(c4ccc(OC)cc4)CC3)n2)cc1 4901517 SONQQPVJSOPQLW-UHFFFAOYSA-N 422.485 3.035 10 40 HGCB COc1cc(Br)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c1 408884098 SPYKSIJTIVSSPY-DHDCSXOGSA-N 417.284 3.289 10 40 HGCB CN1C(=O)C(=Cc2ccc3c(ccn3Cc3cccc(F)c3)c2)C(=O)N(C)C1=S 409230782 GLBZEJSITVGUTH-UHFFFAOYSA-N 407.470 3.427 10 40 HGCB Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1cccnc1 13511798 XEWSSPDJKUKTLM-ODLFYWEKSA-N 420.469 3.460 10 40 HGCB CC(C)n1nnnc1[C@H](c1ccc(N(C)C)cc1)N1CCN(c2ccccc2F)CC1 19454652 ANEDGACEYZJZRY-QFIPXVFZSA-N 423.540 3.371 10 40 HGCB O=S(=O)(c1cccc(F)c1)N1CCN(Cc2c(O)ccc3ccccc23)CC1 22310051 NZUOLDKLXULYKD-UHFFFAOYSA-N 400.475 3.191 10 40 HGCB COc1ccc(NC(=S)NNc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 57505505 TYBMTHDQYNOJPV-UHFFFAOYSA-N 401.517 3.186 10 40 HGCB CN(C)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1Br 1202177 YJGQGDLOHGXPNH-GXDHUFHOSA-N 414.259 3.182 10 40 HGCB O=C1c2ccccc2C(=O)c2c1c(C(=O)N[C@H](CO)Cc1ccccc1)c1ccccn21 95479361 SINNSPZORJSXKI-KRWDZBQOSA-N 424.456 3.048 10 40 HGCB CCOc1cc(/C=C2/C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)ccc1OC(C)=O 832866 RLHWGECDSHZPPG-SXGWCWSVSA-N 414.845 3.434 10 40 HGCB CCOc1cc(/C=C2/C(=O)N(c3cc(OC)ccc3OC)C(=O)N=C2O)ccc1O 2281554 MOWGNBISUVZTQT-NTEUORMPSA-N 412.398 3.315 10 40 HGCB CC(C)n1nccc1NC(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 6428460 GTDIRWISFYAVJZ-UHFFFAOYSA-N 417.421 3.035 10 40 HGCB O=C(O)/C=C\C(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccccc1O 40487514 IWMPYCAQBDZDER-YDZSZYSISA-N 415.243 3.473 10 40 HGCB COc1ccc([C@@H]2CN(Cc3ccc(N(C)CCO)cc3)C[C@H]2c2ccn[nH]2)cc1 72395166 CKAULMSQDGYEDZ-XZOQPEGZSA-N 406.530 3.230 10 40 HGCB NC(=S)N1N=C(c2ccc([N+](=O)[O-])cc2)[C@@H](/N=N/c2ccccc2Cl)C1=O 102067782 SRQTVNVFHFTYLB-ATQAJOFPSA-N 402.823 3.191 10 40 HGCB Cc1cc(N2CCCC2)ccc1/C=C1/NC(=O)N(CC(=O)Nc2ccccc2F)C1=O 6266299 PXWCJNVXZGTPIR-DEDYPNTBSA-N 422.460 3.266 10 40 HGCB Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc1F 8964116 FTFDJNFLSHBVHP-JOCHJYFZSA-N 424.520 3.018 10 40 HGCB Cc1nnc(NC(=O)CCN2C(=O)/C(=C\c3ccccc3F)SC2=S)s1 4745306 AMKNZLUBJANIAS-XYOKQWHBSA-N 408.505 3.216 10 40 HGCB O=C1N[C@H](c2cc(Br)c(O)c(Br)c2O)Nc2ccccc21 18192952 WIDDFSORMOONNG-CYBMUJFWSA-N 414.053 3.477 10 40 HGCB COC(=O)c1cccc(-n2c(C)cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)c2C)c1 33390115 QCJSQZGSGXBOLW-STZFKDTASA-N 415.449 3.342 10 40 HGCB CC(=O)Nc1ccc(OS(=O)(=O)c2cccc3c2C(=O)[C@H]2C=CC=C[C@H]2C3=O)cc1 100815347 FOUIFQDURWZBRD-SJORKVTESA-N 423.446 3.150 10 40 HGCB biogenic Nc1cc2c(O)c(/N=N/c3ccccc3)c(S(=O)(=O)O)cc2cc1S(=O)(=O)O 4523124 XLNIWISYCYGIFJ-VHEBQXMUSA-N 423.428 3.036 10 40 HGCB Cc1ccc(N2C(=O)N=C(O)/C(=C\NN3CCCC[C@@H]3c3cccnc3)C2=O)cc1 8974734 HGRYZDAVDKAXEH-YWXUCKCNSA-N 405.458 3.429 10 40 HGCB O=S(=O)(c1c(F)cccc1F)N1CCN(Cc2c(O)ccc3ccccc23)CC1 22310429 PLJQDTKWUCMTRX-UHFFFAOYSA-N 418.465 3.330 10 40 HGCB COC(=O)C1=CN(c2cc(Cl)c(OC)cc2OC)c2ccccc2S1(=O)=O 64979169 HSLQFUJLNNIQOB-UHFFFAOYSA-N 409.847 3.297 10 40 HGCB COC(=O)c1ccc(Cl)cc1N/C=C1\SC(=S)N(C[C@H]2CCCO2)C1=O 101491488 XVMHMFPFLUCCCN-ZEVOCZHWSA-N 412.920 3.419 10 40 HGCB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)o1 409388983 ABHWZMSBEUKWGX-GZTJUZNOSA-N 417.377 3.015 10 40 HGCB CCOC(=O)c1ccc(N2NC(=O)/C(=C\c3ccc(Br)cc3)C2=O)cc1 1193156 IMQCSEYDCJTRHM-LFIBNONCSA-N 415.243 3.087 10 40 HGCB CC(=O)Nc1ccc(N/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc1 2292703 OZWJTAQRJKMYNQ-MHWRWJLKSA-N 414.874 3.042 10 40 HGCB C[C@H](Oc1cccnc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 21119673 WOPHDWPAWFYJNF-LBPRGKRZSA-N 417.377 3.171 10 40 HGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3cc(C)c(C)c([N+](=O)[O-])c3)C2=O)cc1C 408537621 GLBKGKFQFOEHSU-LICLKQGHSA-N 408.414 3.407 10 40 HGCB CN(C)c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)o1 409229532 QQNKQHQZKMCQOS-UKTHLTGXSA-N 409.389 3.196 10 40 HGCB COc1cc(/C=C2/C(=O)NC(=S)N=C2O)cc(Br)c1OCC(C)C 27531999 OQFNZONALZMRKL-UHFFFAOYSA-N 413.293 3.247 10 40 HGCB CC(C)[C@@H](NC(=O)CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)C(=O)O 5374986 KDZMDRHSMRQHAF-GYRKAVODSA-N 418.540 3.060 10 40 HGCB Cc1cccc(N2C(=O)NC(=O)/C(=C/c3cccn3-c3ccc(C(=O)O)cc3)C2=O)c1 9265222 ADMYQOWLGFWXAK-UYRXBGFRSA-N 415.405 3.150 10 40 HGCB O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1NS(=O)(=O)c1ccccc1 16769971 VCTHFKDIJQSHAR-SBFJKYRKSA-N 402.522 3.338 10 40 HGCB COc1ccc(OC)c(/C=C2\SC(=S)N(NC(=O)Cc3ccccc3)C2=O)c1 5551812 QXIBSHKXMFERDY-ATVHPVEESA-N 414.508 3.179 10 40 HGCB Cc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N(C)C)c(C)c1 8798844 FKMLADKNPHXPFS-NRFANRHFSA-N 401.576 3.267 10 40 HGCB O=S(=O)(Cc1ccc(Cl)cc1Cl)NCc1ccc(N2CCOCC2)cc1 10113463 GDKSFXOULKOIMJ-UHFFFAOYSA-N 415.342 3.450 10 40 HGCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccc(O)cc3)C2=O)c1 408966525 OZLIAQBTVFAYAM-DEDYPNTBSA-N 401.422 3.466 10 40 HGCB CN1CCCc2cc([C@@H](CNC(=O)c3ccc4c(c3)OCO4)N3CCCC3)ccc21 13008252 TZRWMHOXFPFPNK-OAQYLSRUSA-N 407.514 3.365 10 40 HGCB COc1ccc(N2CCN([C@@H](c3nnnn3Cc3ccc(F)cc3)C(C)C)CC2)cc1 57670855 ABMCJJCWZHKGDK-JOCHJYFZSA-N 424.524 3.388 10 40 HGCB COc1ccc(N2CCN(C(=O)c3cc(C)nc(N4CCCCCC4)n3)CC2)cc1 72241506 IQVSEFJFWUJYSE-UHFFFAOYSA-N 409.534 3.136 10 40 HGCB O=C(O)CCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc3c(c1)OCO3)N2 4623650 FKCUFGDZFCIEGA-PONJGIIJSA-N 406.438 3.446 10 40 HGCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(N2CCCCC2)cc1 4704234 OEQTWVMRQCTMBL-LDADJPATSA-N 419.437 3.072 10 40 HGCB biogenic,in-vitro COc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1 408952966 NNJRWDTVRZJIEB-GHRIWEEISA-N 405.385 3.291 10 40 HGCB COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)NCCc3c[nH]cn3)C2=O)cc1 4736925 FHYXFFGQSLHNJR-PGMHBOJBSA-N 401.470 3.276 10 40 HGCB CCN(CC)c1ccc(N/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1 5032856 GHHSZGIAJRFGEP-QGOAFFKASA-N 412.490 3.416 10 40 HGCB Cc1c(CN2CCC(Cc3nn(C)cc3C(N)=O)CC2)ccc(N2CCCC2)c1C 19756723 PHQQDEKBYITSHH-UHFFFAOYSA-N 409.578 3.191 10 40 HGCB O=C(O)CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc3c(c1)OCO3)N2 103020675 FKCUFGDZFCIEGA-MCFFVMPBSA-N 406.438 3.446 10 40 HGCB O=C(NN1C(=O)/C(=C/c2cccc(F)c2)SC1=S)c1ccccc1[N+](=O)[O-] 1856235 KBIBGYNBPJGXHP-ZROIWOOFSA-N 403.416 3.280 10 40 HGCB CN(C)c1ccc(CN(C(=O)c2ccc(Cl)cc2)[C@H]2CCS(=O)(=O)C2)cc1 4163994 XRZDBITZWQVHFZ-IBGZPJMESA-N 406.935 3.236 10 40 HGCB CCOC(=O)c1sc2[n+](c1C)C(=O)/C(=C/c1cc(OC)c(OC)c(OC)c1)S2 5854794 BKHLDPKDAKEKGX-ZROIWOOFSA-N 422.504 3.334 10 40 HGCB Cc1cc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(C)C3=O)c2C)ccc1Br 14010972 UGKDOANFRSWTEM-DHDCSXOGSA-N 416.275 3.257 10 40 HGCB CC(C)n1nnnc1[C@H](c1ccc(N(C)C)cc1)N1CCN(Cc2ccccc2)CC1 19454646 ZKUWRGLWDKLVKG-QHCPKHFHSA-N 419.577 3.227 10 40 HGCB C=CCOc1c(OCC)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] 35199555 QLWNFKLCQXPNMT-WJDWOHSUSA-N 409.398 3.020 10 40 HGCB CCOc1cccc(N2C(=O)/C(=C/c3ccc(Br)o3)C(=O)NC2=S)c1 208453475 HUCKEKWISPDUOO-UKTHLTGXSA-N 421.272 3.272 10 40 HGCB COc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c1 408867772 NKNUODCWTVVVCT-OQLLNIDSSA-N 415.243 3.433 10 40 HGCB Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1C 13655983 SQNZSJFUVRJCCH-DHDCSXOGSA-N 402.248 3.071 10 40 HGCB COc1ccc2c(c1)CCCN2CC(=O)NCC(=O)Nc1cccc(Cl)c1C 22015349 CNXSGJSOOIEJFX-UHFFFAOYSA-N 401.894 3.165 10 40 HGCB CCN(CC)c1ccc(CNC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 223899846 NDJWIMIZFWMSNQ-QGZVFWFLSA-N 403.548 3.004 10 40 HGCB Cc1cccc(C)c1NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCC1 5341056 HKGNXVNZRMONIF-OAQYLSRUSA-N 408.546 3.261 10 40 HGCB O=C(Cc1nc2ccc([N+](=O)[O-])cc2nc1CC(=O)c1ccncc1)c1ccncc1 5716717 OBUUHIINHJTSHZ-UHFFFAOYSA-N 413.393 3.179 10 40 HGCB CC1=C(Nc2cccc([N+](=O)[O-])c2)[C@@H](c2ccc(N3CCOCC3)cc2)NC(=O)N1 102609771 MXHYDGROPVEOBZ-HXUWFJFHSA-N 409.446 3.129 10 40 HGCB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccc([N+](=O)[O-])cc1 4263490 UZLZMZIJNYXKAJ-GXDHUFHOSA-N 403.441 3.418 10 40 HGCB Cc1cc(/C=C2\NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c(C)n1-c1ccccn1 409244895 KEBONGYQQFTGLH-UNOMPAQXSA-N 417.425 3.490 10 40 HGCB CN1C(=O)/C(=C\c2ccc(C(=O)N[C@H](C(=O)O)c3ccccc3)cc2)SC1=S 5374727 XQZCIJQDAOKYPZ-SFKKXYGYSA-N 412.492 3.073 10 40 HGCB COc1ccc(/C=C2/SC(=S)N(NS(=O)(=O)c3ccc(C)cc3)C2=O)cc1 15986554 MAENARCRULSGLV-LFIBNONCSA-N 420.537 3.098 10 40 HGCB COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCCc1ccccc1 17087677 MJDPBWRMEFMMME-JWGURIENSA-N 407.470 3.067 10 40 HGCB Cc1cc(C(=O)N2CCCN(Cc3noc(C4CC4)n3)CC2)c(C)n1-c1ccccn1 89580061 DYFLBONZQIAHEL-UHFFFAOYSA-N 420.517 3.098 10 40 HGCB CCOC(=O)Cn1cc(/C=C2\SC(=S)N(CCOC)C2=O)c2ccccc21 409122679 AUGFENSOQHSUPO-YBEGLDIGSA-N 404.513 3.052 10 40 HGCB CCOc1cc(/C=C2/C(=O)NC(=O)N=C2O)ccc1OCc1ccc([N+](=O)[O-])cc1 3097675 DHRYOFLOCMISQW-UHFFFAOYSA-N 411.370 3.162 10 40 HGCB O=C(COC(=O)c1cccc(F)c1)Nc1cccc2c1C(=O)c1ccccc1C2=O 6551254 YPXYOOVYPMPMPD-UHFFFAOYSA-N 403.365 3.397 10 40 HGCB COc1ccc2c(/C=C3\SC(=S)N(NC(=O)c4cccnc4)C3=O)c[nH]c2c1 13719228 JFLRJJLJPXFZRG-APSNUPSMSA-N 410.480 3.118 10 40 HGCB CCN(CC)c1ccc(/C=C2/C(=O)N(C)C(=S)N(c3ccccc3)C2=O)c(O)c1 16949065 QYQCGIANLIGPRM-AQTBWJFISA-N 409.511 3.412 10 40 HGCB CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1ccc(OC(F)(F)F)cc1 39983564 RIOKJDSKALVLLO-UHFFFAOYSA-N 410.392 3.467 10 40 HGCB CN(C)C(=O)COc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)cc1 223309147 UOZPHTXYMHSUMR-UHFFFAOYSA-N 417.512 3.078 10 40 HGCB C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccccc1)c1ccc(N2CCCCC2)cc1 223482569 NLEKLEUYBFGKMR-SFHVURJKSA-N 415.559 3.175 10 40 HGCB COc1cccc(N/C=C2/C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1 408550130 DWVOWRZCNQAYHK-LCYFTJDESA-N 405.838 3.231 10 40 HGCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(O)cc3)C2=O)cc1OCC 409191624 JNEPXCIJKPSFGW-LDADJPATSA-N 424.453 3.242 10 40 HGCB CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O 12564998 SBJWLWINJXNKJW-UHFFFAOYSA-N 415.559 3.263 10 40 HGCB C[C@H]1C[C@@H](C)CN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(C)C2=O)C1 13618666 VAXFLKLHGTWBSX-APNXUPQFSA-N 414.556 3.008 10 40 HGCB COC(=O)c1cc(S(=O)(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)ccc1C 260572611 IMIHVRVDTDDJLF-INIZCTEOSA-N 416.543 3.496 10 40 HGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccc(O)cc3)C2=O)cc1C 409022707 PZZXLSSVUVVPQC-DEDYPNTBSA-N 401.422 3.466 10 40 HGCB CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2cccc(Cl)c2)N2CCCC2)cc1 4330506 VJSWHXPHAXOPCP-FQEVSTJZSA-N 414.937 3.298 10 40 HGCB CCCn1c(SCC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)n[nH]c1=O 5887002 AZFATCLKRWJOHF-UHFFFAOYSA-N 400.504 3.373 10 40 HGCB COc1ccc(-c2ccc(/C=C3/SC(N4CCN(C(C)=O)CC4)=NC3=O)o2)cc1 12492424 PDOKTPYLOLZHBS-CPNJWEJPSA-N 411.483 3.090 10 40 HGCB O=C(COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1)Nc1ccccc1 35128723 SSESMYOCGJOPKH-QNGOZBTKSA-N 413.433 3.166 10 40 HGCB COc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3cccc(Cl)c3C)C1=O)OCO2 409238947 XJVIWPANZCJIBG-WUXMJOGZSA-N 414.801 3.052 10 40 HGCB CCc1noc(-c2ccc(N3CCN(c4ccc5c(c4)OCO5)CC3)c([N+](=O)[O-])c2)n1 72242789 VEWOZYWRMYHDBD-UHFFFAOYSA-N 423.429 3.263 10 40 HGCB CCN(C)c1ccc(/C=C2/C(=O)NN(c3cccc(Br)c3)C2=O)cc1 5128005 CQCCFXJXDKRRCC-BOPFTXTBSA-N 400.276 3.367 10 40 HGCB CCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccncc3)C2=O)cc1OC 12733630 UBAKXTUFWHRBGH-WJDWOHSUSA-N 415.496 3.035 10 40 HGCB Cc1ccc2nc(N3CCC(C)CC3)c(/C=C3\SC(=S)N(C)C3=O)c(=O)n2c1 12796854 HLMMDRZVHRZZIB-GDNBJRDFSA-N 414.556 3.070 10 40 HGCB COC(=O)c1[nH]c2ccccc2c1/C=C1/SC(=S)N([C@@H](C(=O)O)C(C)C)C1=O 13730947 XOKDJJLUVGFNIQ-XETPBLJFSA-N 418.496 3.265 10 40 HGCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)c(C)n1C[C@H]1CCCO1 409205945 RQHNUPAJJKRBRG-PCJMVEANSA-N 411.433 3.089 10 40 HGCB CN(C)c1ccc([C@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)N2CCOCC2)cc1 21042683 SRBOTXSOJWHJDS-SBTPEUDISA-N 411.590 3.459 10 40 HGCB COC(=O)c1cc2ccccc2c(CN2Cc3c(OC)ccc(OC)c3[C@H](O)C2)c1O 29539804 DGIVGGJBMDBSMG-LJQANCHMSA-N 423.465 3.398 10 40 HGCB C[C@H]1CCC[C@H](NC(=O)c2ccc3c(c2NCCO)C(=O)c2ccccc2C3=O)[C@H]1C 102684731 ZBMXUUQVKKVKFH-AVYPCKFXSA-N 420.509 3.421 10 40 HGCB Cc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)c(C)n1-c1cc(Cl)ccc1Cl 408588352 BIXIWWDJNUVMGJ-MKMNVTDBSA-N 408.241 3.378 10 40 HGCB COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccc(N(C)C)cc2)cc1 4705341 GETHGNXQSXWJJD-HXUWFJFHSA-N 404.474 3.280 10 40 HGCB CC(=O)Nc1ccc(N/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 4811343 TUOFQTAYNICVAT-MHWRWJLKSA-N 414.874 3.042 10 40 HGCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3cccc(OC)c3)SC2=S)cc1 6843247 FNULYHOBMKLCPX-LFIBNONCSA-N 400.481 3.250 10 40 HGCB Cc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1 8801592 YVPJDYVLUITWGM-QHCPKHFHSA-N 413.587 3.493 10 40 HGCB COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1[N+](=O)[O-] 206888591 PYUNDWUISXBIMA-XNTDXEJSSA-N 415.452 3.150 10 40 HGCB O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 408914528 QGRIICACKDPWJN-GZTJUZNOSA-N 420.352 3.450 10 40 HGCB Cc1cc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)c(C)n1-c1ccccc1 3345980 LKKGSNUSKFZJJM-UHFFFAOYSA-N 403.438 3.236 10 40 HGCB Cc1ccc(N2C(=O)NC(=O)/C(=C/NCCc3c[nH]c4ccccc34)C2=O)cc1C 6131730 XBXATDXVCOKQMW-UYRXBGFRSA-N 402.454 3.084 10 40 HGCB COc1ccc(Cl)cc1-c1nnc2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n12 9187906 GDKBQONBJNSKIK-YVLHZVERSA-N 412.902 3.094 10 40 HGCB Cc1cc(C(=O)CSc2nnnn2C)c(C)n1-c1ccc(OC(F)(F)F)cc1 1559353069 PJNKRKPLFZFKNA-UHFFFAOYSA-N 411.409 3.491 10 40 HGCB CC(=O)N[C@@H]1[C@@H](OCc2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H]1N=[N+]=[N-] 4565577 IDUMJVMUHFWUKL-PQQZDNAISA-N 424.457 3.226 10 40 HGCB Cc1cc(C(=O)COC(=O)[C@@]23CCC(=O)N2CCS3)c(C)n1-c1ccccc1F 12549034 NOPFEDBLRZHEAK-NRFANRHFSA-N 416.474 3.025 10 40 HGCB Cc1ccc(N2NC(=O)/C(=C\c3cccc(I)c3)C2=O)cc1C 16312119 DQNAHIBJSXSZRU-MHWRWJLKSA-N 418.234 3.369 10 40 HGCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccccn1 223607732 ZUJFIFVOTLXDDB-LEWJYISDSA-N 407.543 3.239 10 40 HGCB CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(N)=O)cc3)SC2=S)cc1 409214325 SMKJGMOLANGUQD-BOPFTXTBSA-N 414.508 3.355 10 40 HGCB O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)N1CCOCC1 5370926 SEXBRAUFXOMSJB-FZAQZHIUSA-N 402.541 3.083 10 40 HGCB C/C=C/c1ccc(OC[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)c(OC)c1 23115566 YYCHQQVBPGQATK-KTBYTZPXSA-N 412.530 3.299 10 40 HGCB O=[N+]([O-])c1ccc(-c2nc(/N=N/c3n[nH]c(-c4ccc([N+](=O)[O-])cc4)n3)n[nH]2)cc1 102417936 RQSVJMVUAOPQLK-WCWDXBQESA-N 406.322 3.489 10 40 HGCB O=C1CCCN1c1ccc(NC(=S)NCc2ccc(N3CCOCC3)cc2)cc1 225421359 AEHZXYMTKYEMDQ-UHFFFAOYSA-N 410.543 3.137 10 40 HGCB Cc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 409138111 YUYBGVXJRNZJOW-VIZOYTHASA-N 401.400 3.123 10 40 HGCB COc1ccc(OC)c(/C=C2\SC(N3CCN(c4ccccc4)CC3)=NC2=O)c1 5372626 YILRNWQTSIDGHX-HKWRFOASSA-N 409.511 3.496 10 40 HGCB Cc1cc(CN(CCN2CCOCC2)Cc2cccnc2)c(C)n1-c1ccccn1 19567597 FFWJMEFABGKJLS-UHFFFAOYSA-N 405.546 3.219 10 40 HGCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)c1C 20236968 GKHHBEDHIZIRPG-FRAXMPBDSA-N 421.413 3.461 10 40 HGCB O=C1[C@H]2[C@@H](c3ccc(O)c(O)c3)N(c3ccccc3)O[C@H]2C(=O)N1c1ccccc1F 102760910 OOLATHWMEFKARF-PWRODBHTSA-N 420.396 3.288 10 40 HGCB Cc1cccnc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c1C 223584250 GVIXUSQSWSGSGN-WOJBJXKFSA-N 407.543 3.157 10 40 HGCB COc1ccc(/C=C2\C(=O)NN(c3cccc(C(F)(F)F)c3)C2=O)cc1[N+](=O)[O-] 1049708 ARDYUBMQYGICJQ-NTUHNPAUSA-N 407.304 3.084 10 40 HGCB Cc1ccc(COc2ccc(Br)cc2C=C2C(=O)NC(=O)NC2=O)cc1 59305941 UXMCVUGDXBESFC-UHFFFAOYSA-N 415.243 3.086 10 40 HGCB Cc1cccc(C)c1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N(C)C 9135427 VYTXTFIJEQFSQL-OAQYLSRUSA-N 408.546 3.043 10 40 HGCB COc1cccc(Nc2cc(N(C)CCO)c(N)c3c2C(=O)c2ccccc2C3=O)c1 5452048 GXBXBCABQBWYBQ-UHFFFAOYSA-N 417.465 3.225 10 40 HGCB C[C@H](C(=O)N1CCCC[C@H]1CCO)N1C(=O)/C(=C/c2cccs2)SC1=S 6660952 ONSBQOPWWHENMZ-HAQQTBRTSA-N 410.586 3.101 10 40 HGCB COc1ccc(OC)c(/C=C2\SC(=S)N(NC(=O)c3ccc(F)cc3)C2=O)c1 13713528 SOTMRFNECNJNLR-YBEGLDIGSA-N 418.471 3.389 10 40 HGCB Cc1cc(N2CCCC2)ccc1/C=C1\NC(=O)N(CC(=O)Nc2ccccc2C)C1=O 33155042 GYJNLCIFOQYCBN-STZFKDTASA-N 418.497 3.435 10 40 HGCB O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cc([N+](=O)[O-])ccc1O 35640363 NPACQAIKCDSDTI-NTUHNPAUSA-N 421.481 3.202 10 40 HGCB CNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCc2ccccc2)C1=O 1261342 UACHWNHLLYZNIO-SSZFMOIBSA-N 422.535 3.180 10 40 HGCB CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccccc3F)N3CCCC3)ccc21 9135580 JAWRWPRYVSXNPO-QFIPXVFZSA-N 424.520 3.100 10 40 HGCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc2c(c1)NC(=O)CCS2 12791876 WVQBWKDFUBQRRC-UHFFFAOYSA-N 411.527 3.230 10 40 HGCB CN1CCN([C@@H](CNC(=O)c2ccc(Cl)cc2)c2ccc3c(c2)CCN3C)CC1 22733592 OWJYJXBZUBPQNN-QFIPXVFZSA-N 412.965 3.051 10 40 HGCB COCCN1C(=O)/C(=C\c2ccc(OCC(C)C)c3ccccc23)C(=O)NC1=S 98086716 LZPHDAVLMKDASQ-PDGQHHTCSA-N 412.511 3.148 10 40 HGCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cccn2-c2ccc(C(=O)O)cc2)C1=O 3363458 FXLOITATKYFXPQ-QGOAFFKASA-N 415.405 3.150 10 40 HGCB O=C1NC(=S)N(c2cccc3ccccc23)C(=O)/C1=C\NCCc1ccccc1 1881671 PLSQXGOCGXJCOF-CYVLTUHYSA-N 401.491 3.304 10 40 HGCB COc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccccc2F)C(=O)NC1=S 409174890 VEMXWXGPCMCQQK-FYWRMAATSA-N 421.453 3.456 10 40 HGCB COC(=O)[C@@H](Sc1ccccc1N)[C@H]1SC(=S)N(Cc2ccccc2)C1=O 1567367 LWPUVMFRRQVRAK-CVEARBPZSA-N 418.565 3.332 10 40 HGCB Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCC2)cc1F 4330720 TZZJBFKHYVQAJT-OAQYLSRUSA-N 412.509 3.092 10 40 HGCB Cc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccccc1O 13655854 JJLRNDZGVDNUOM-BOPFTXTBSA-N 405.410 3.055 10 40 HGCB COc1ccc(N2CCN(CCCNC(=O)c3cccc4ncccc34)CC2)cc1 32765152 XYRKPSFIONKVJI-UHFFFAOYSA-N 404.514 3.186 10 40 HGCB CCN(CC)c1ccc(CNC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 224764644 WGROCHSUIGCNBE-INIZCTEOSA-N 421.538 3.143 10 40 HGCB CN(Cc1cccnc1)Cc1nc(C2(O)CCN(Cc3ccccc3O)CC2)cs1 225476032 CQRJNTGKDLRYEC-UHFFFAOYSA-N 424.570 3.359 10 40 HGCB biogenic,in-vitro CN1C(=O)/C(=C/c2cn(CC(=O)NC[C@H]3CCCO3)c3ccccc23)c2ccccc21 4516953 BVMAPZJRQOBJPZ-KOMLCTQHSA-N 415.493 3.454 10 40 HGCB CC(C)c1ccc(/C=C2\SC(=S)N(CC(=O)N3CCC[C@@H]3C(=O)O)C2=O)cc1 5214650 ZWJFWVOPCBINIL-CCAPLTMGSA-N 418.540 3.087 10 40 HGCB CSc1nc(N)c(/N=N\c2ccc(S(=O)(=O)Nc3nccs3)cc2)c(O)n1 104090681 LEARIZDNZMQESK-VXPUYCOJSA-N 423.505 3.159 10 40 HGCB COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1cc(OC)ccc1OC 408583804 KJKQXXXOZRUULA-PDGQHHTCSA-N 424.409 3.489 10 40 HGCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Cl)c(O)c(Cl)c1 409038642 AJXXJHFJGJJYBQ-NYYWCZLTSA-N 422.180 3.274 10 40 HGCB COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Cl 409045294 GASFKJBSSGMALI-WUXMJOGZSA-N 407.209 3.374 10 40 HGCB O=c1[nH]c(-c2ccncc2)nc2c1CCN(Cc1ccc(N3CCCCC3)cc1)C2 12142879 JHGIUTKJVAEFJV-UHFFFAOYSA-N 401.514 3.381 10 40 HGCB COc1ccc(/C=C2/C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1Br 16681119 GQWVPPAQWAALCB-ZROIWOOFSA-N 415.243 3.120 10 40 HGCB COc1ccc(/C=C2\SC(=S)N(C3=C[C@H]4OCO[C@@H]4C=C3)C2=O)c(OC)c1 26771482 VYSZYEOJYFOORY-RFFCRGOJSA-N 403.481 3.100 10 40 HGCB O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 44910839 OPEFAKGGHXGRFR-OAQYLSRUSA-N 411.521 3.191 10 40 HGCB Cc1cc(C(=O)[C@@H](C)OC(=O)c2ccc(-n3cnnn3)cc2)c(C)n1-c1ccccc1 6534586 ATWVTFFHLNGPNR-QGZVFWFLSA-N 415.453 3.498 10 40 HGCB CCc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N(C)C)s1 8798867 BFWIYGIBMKISRV-LJQANCHMSA-N 407.605 3.274 10 40 HGCB COc1ccc(N2CC[C@]3(CN(C(=O)CCc4cncnc4)CCC3(F)F)C2)cc1 585101795 HAKDNUPRCRSGQX-OAQYLSRUSA-N 416.472 3.182 10 40 HGCB O=C1NC(=O)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C\c1ccc(O)c([N+](=O)[O-])c1 2993236 KIQHFPAWMHIIRM-YHYXMXQVSA-N 422.180 3.274 10 40 HGCB CCOc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc(N4CCCC4)c(F)c3)C2=O)c1 6389382 WOBHCNIZBSCLAA-PDGQHHTCSA-N 423.444 3.491 10 40 HGCB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=C1\C(=O)N=C(S)N(c2ccc(C)cc2)C1=O 102933567 WAVCZCZIHBICOQ-YPOUMIDOSA-N 418.478 3.119 10 40 HGCB C[C@@H](C(=O)NCCc1ccc(O)cc1)N1C(=O)/C(=C\c2cccs2)SC1=S 13576139 JAZNXQBSLTZQLN-JASJWYONSA-N 418.565 3.402 10 40 HGCB COc1ccc(/C=C2\SC(=S)N(CCC(=O)NC3CCCC3)C2=O)cc1OC 13800838 CVHUYBLDSNTTJW-ATVHPVEESA-N 420.556 3.354 10 40 HGCB CC(C)Oc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc1 22733239 MNWIOHHFEYGSPE-DEOSSOPVSA-N 423.557 3.269 10 40 HGCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OC)c(OC)c3)C2=O)cc1 408816974 VAZZJLDNVQQQDN-RIYZIHGNSA-N 416.817 3.032 10 40 HGCB CC[C@@H](C)[C@@H](NC(=O)CCN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S)C(=O)O 5552909 VIHLWYUSLNOLTE-FINCRHPDSA-N 420.556 3.202 10 40 HGCB COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCCc1ccc(F)cc1 17089517 JKDKBBMVHCOSAN-STZFKDTASA-N 413.424 3.337 10 40 HGCB CN(Cc1ccc(N(C)C)cc1)Cn1cc(S(=O)(=O)N2CCCC2)ccc1=S 25470788 OSJBDGCNGGRYOF-UHFFFAOYSA-N 420.604 3.158 10 40 HGCB Cc1oc2c(CN(C)[C@H]3CCS(=O)(=O)C3)c(O)ccc2c(=O)c1-c1ccccc1 32888277 ANXPUTJRWSTPPY-INIZCTEOSA-N 413.495 3.093 10 40 HGCB O=C1[C@H]2[C@@H](C(=O)N1c1ccc(/N=N\c3ccccc3)cc1)[C@H]1C=C[C@@]2(C2OCCO2)O1 409289968 PZTDJWYADZUYFE-MFSSWJEZSA-N 417.421 3.288 10 40 HGCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)N(C)C)cc1 100031374 IQDMZUKRJXVFQP-LDADJPATSA-N 418.906 3.309 10 40 HGCB CN(C(=O)c1c[nH]nc1[C@H]1CCCN(C(=O)C[C@@H]2CCCCN2C)C1)c1ccccc1 257332996 XZPKEJZGWOVXMS-ICSRJNTNSA-N 423.561 3.267 10 40 HGCB Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 3220635 QYTDFKQUZURJEP-UHFFFAOYSA-N 405.882 3.485 10 40 HGCB CCN1C(=O)/C(=C/c2c(N3CCCCC3)nc3c(C)cccn3c2=O)SC1=S 1455656 WPUMTGUWBJLJKR-QINSGFPZSA-N 414.556 3.214 10 40 HGCB CN1C(=O)/C(=C/c2c(Oc3ccccc3F)nc3ccccn3c2=O)SC1=S 2422867 LEHHCXLCYQLLNP-UVTDQMKNSA-N 413.455 3.457 10 40 HGCB O=C(CN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)Nc1cccc2nonc12 9353094 CGCQMKGLFTUAFP-ZSOIEALJSA-N 414.443 3.202 10 40 HGCB COc1cc(C)c(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC 408548318 GFHYZFIABYBINS-OVCLIPMQSA-N 400.818 3.332 10 40 HGCB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1Cl 4330484 ATSVVVQEMAXPGA-IBGZPJMESA-N 402.926 3.072 10 40 HGCB Cc1cc(C(=O)CSc2nnnn2C[C@H]2CCCO2)c(C)n1-c1ccc(F)cc1 9864115 KKCCJYPYNKJVQK-QGZVFWFLSA-N 415.494 3.374 10 40 HGCB Cn1cccc1/C=C1\SC(=S)N(NC(=O)c2ccccc2Br)C1=O 13777203 MEQUVIBWCCIZSW-LCYFTJDESA-N 422.329 3.334 10 40 HGCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC 409239861 RCYVLCURECOXMC-RIYZIHGNSA-N 416.886 3.497 10 40 HGCB Cc1cc(C(=O)COC(=O)c2ccccc2-n2cnnn2)c(C)n1-c1ccccc1 7978773 XKYVAWLFHMDWID-UHFFFAOYSA-N 401.426 3.110 10 40 HGCB Cc1cc(C(=O)COc2ccccc2C(N)=O)c(C)n1-c1ccc2c(c1)OCCO2 12596078 TUMCIGJSXUDWTM-UHFFFAOYSA-N 406.438 3.226 10 40 HGCB CC(=O)NC1=NC(=O)/C(=C/c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)S1 107584657 VFIBXLRFFINYNH-WQRHYEAKSA-N 409.467 3.119 10 40 HGCB COc1ccc(OC)c(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(N(C)C)cc2)c1 909884 HXTTZNHXLFVWBN-HXUWFJFHSA-N 410.474 3.036 10 40 HGCB CN1CCCc2cc(/C=C3\SC(=S)N(NC(=O)c4cccnc4)C3=O)ccc21 13734940 PUKPJEXNVQKJBK-BOPFTXTBSA-N 410.524 3.010 10 40 HGCB CC(=O)Nc1ccc(OS(=O)(=O)c2cccc3c2C(=O)[C@H]2C=CC=C[C@@H]2C3=O)cc1 100815346 FOUIFQDURWZBRD-IRXDYDNUSA-N 423.446 3.150 10 40 HGCB biogenic O=C1C[C@@H](c2ccco2)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1 96221287 IEJALJNGIFBPMB-JTQLQIEISA-N 422.345 3.316 10 40 HGCB biogenic CCN1C(=O)/C(=C/c2c(NCc3ccco3)nc3ccccn3c2=O)SC1=S 1306714 SCLLXKPAIKLLCU-UVTDQMKNSA-N 412.496 3.121 10 40 HGCB O=C(NN1C(=O)/C(=C\C2=Cc3ccccc3OC2)SC1=S)c1ccc(O)cc1 13693446 GEMLUKOFHJZCLZ-LICLKQGHSA-N 410.476 3.257 10 40 HGCB O=S(=O)(c1ccccc1F)N1CCN(Cc2c(O)ccc3ccccc23)CC1 22309365 LFRFGWCMUBXZEB-UHFFFAOYSA-N 400.475 3.191 10 40 HGCB CCOc1cccc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)c1O 72393259 NWKHXKPSCFZPPY-MRXNPFEDSA-N 406.486 3.316 10 40 HGCB CC(C)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1[N+](=O)[O-] 108259718 CVFCGOQEGQLGKW-DHDCSXOGSA-N 401.806 3.497 10 40 HGCB Nc1c(N2CCOCC2)cc(NCc2ccccc2)c2c1C(=O)c1ccccc1C2=O 9060066 RMJXVISGXNYOGT-UHFFFAOYSA-N 413.477 3.493 10 40 HGCB CS(=O)(=O)c1c(C(=O)Nc2ccc(F)cc2)ccc2c1C(=O)c1ccccc1C2=O 12371837 RIIJSYLMDXHEDY-UHFFFAOYSA-N 423.421 3.257 10 40 HGCB O=C1/C(=C/c2cccc(Cl)c2)SC(=S)N1CC(=O)N1CCCC[C@H]1CCO 13574945 AFDGSSXJFHFUKJ-CNYBTUBUSA-N 424.975 3.305 10 40 HGCB C[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)N(c1ccccc1)S(C)(=O)=O 13675889 UWYNLNOKLBWJBO-SFHVURJKSA-N 415.559 3.148 10 40 HGCB COCCCN1C(=O)/C(=C\N2CCN(C/C=C/c3ccccc3)CC2)SC1=S 20649390 JBUZLQIYUXZBID-LQSPEFTHSA-N 417.600 3.056 10 40 HGCB Cc1ccc(C)n1-c1ccc(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)cc1 40151638 DPECWWYEHKLZJD-UHFFFAOYSA-N 403.530 3.171 10 40 HGCB O=C(NCc1ccccc1)C(=Cc1ccc(O)c(O)c1)C(=O)NCc1ccccc1 6628261 ZJUGUWVCBQCIEM-UHFFFAOYSA-N 402.450 3.114 10 40 HGCB COc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccccc3Br)C2=O)cc1 17208346 AVAFGFLTBBARQN-RAXLEYEMSA-N 416.231 3.037 10 40 HGCB C[C@H](C(=O)NCCc1ccc(O)cc1)N1C(=O)/C(=C/c2cccs2)SC1=S 33545427 JAZNXQBSLTZQLN-COOUDCDJSA-N 418.565 3.402 10 40 HGCB CCOc1ccc(C(=O)Nc2cc(OC)ccc2N2CCOCC2)cc1[N+](=O)[O-] 20528494 WEEYUFVHCHKGNF-UHFFFAOYSA-N 401.419 3.091 10 40 HGCB Cc1ccc(NC(=O)N/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)c(C)c1 408537172 ZJGKNVVVKHISFI-LFIBNONCSA-N 406.442 3.209 10 40 HGCB CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3cccc(F)c3)N3CCCCC3)ccc21 13008005 PILRDTQUXIEKFN-QFIPXVFZSA-N 424.520 3.100 10 40 HGCB CC1=CC2=NC(=O)/C(=C/c3ccc(OCc4ccc5c(c4)OCO5)cc3)C(=N)N2O1 41078313 RVNVRFGUXQJIFT-HAPQTGPLSA-N 403.394 3.445 10 40 HGCB Cc1cc(C(=O)NCc2ccccc2O)cc(S(=O)(=O)N2CCC(C)CC2)c1C 58247026 QEIJVAGVVMHABN-UHFFFAOYSA-N 416.543 3.360 10 40 HGCB COC(=O)c1ccc(C)c(NC(=S)NCc2ccc(N3CCN(C)CC3)cc2)c1 225776410 FLOYYRRNGOWAEI-UHFFFAOYSA-N 412.559 3.020 10 40 HGCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(C)C)cc3)C2=O)cc1[N+](=O)[O-] 5727494 NWMGPTIOEPVSKL-MHWRWJLKSA-N 409.398 3.393 10 40 HGCB CCOC(=O)COc1ccc(Br)cc1/C=C1/SC(=S)N(C)C1=O 9310641 QSURQDWXLHGRQC-KPKJPENVSA-N 416.318 3.222 10 40 HGCB O=C1[C@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccccc1 18116894 BRPXBFGWZBBNCG-QHAWAJNXSA-N 423.424 3.382 10 40 HGCB COC(=O)c1ccc(/C=C2/SC(=S)N(c3ccc(O)c(C(=O)O)c3)C2=O)cc1 32707961 ZSDAFWXYRGKVDO-OVCLIPMQSA-N 415.448 3.283 10 40 HGCB Cc1cccc(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)c1 10113140 OQEQHQMNELISAA-UHFFFAOYSA-N 415.559 3.068 10 40 HGCB C/C(NCCCN1CCOCC1)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 20157173 CWVRWCQRCGLNNF-PYCFMQQDSA-N 422.504 3.163 10 40 HGCB COc1ccc(N2CCN([C@@H](c3ccco3)c3sc4ncnn4c3O)CC2)cc1 22610125 PRZAIVJHVXQZPB-KRWDZBQOSA-N 411.487 3.010 10 40 HGCB C[C@@H](Oc1ccc(Br)cc1)C(=O)NCc1ccc(N2CCOCC2)cc1 54285268 KSZLCVVZPGQXJK-OAHLLOKOSA-N 419.319 3.369 10 40 HGCB CCOc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)C(=O)NC2=S)cc1 408778553 HCFJLIVOZJNSCA-NTEUORMPSA-N 402.859 3.276 10 40 HGCB COC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C1=O 1115995 NJHLEEVSLFFZJL-IDUWFGFVSA-N 414.439 3.032 10 40 HGCB CN(C)C[C@@H]1CN(Cc2cc(Cl)ccc2O)C[C@H]1c1ccnc(N2CCCC2)n1 19583323 CZRXZUUQDFRSER-IEBWSBKVSA-N 415.969 3.213 10 40 HGCB CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccccc2Cl)C1=O 408818376 VIKYLSUUSHLYBU-GXDHUFHOSA-N 400.818 3.414 10 40 HGCB O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1O 409049080 VZUFZDJVGBKKLR-WUXMJOGZSA-N 422.180 3.274 10 40 HGCB CCN(CC)C(=O)CN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2C)C1=O 409202167 PPBQPORWAKUHHI-AQTBWJFISA-N 401.532 3.500 10 40 HGCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cccn2-c2ccc(O)cc2)C1=O 409221999 ASELGHQKKYMUOU-NBVRZTHBSA-N 417.421 3.248 10 40 HGCB Cc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(C)n(-c3ccccn3)c2C)C1=O 9265371 AEKQKRLSYSONLQ-AQTBWJFISA-N 400.438 3.464 10 40 HGCB Cc1cc(C)c2c(N)c(C(=O)O[C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)sc2n1 10645078 WMRYTCKJIPMPED-NSHDSACASA-N 413.455 3.408 10 40 HGCB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(O)cc3)c2C)C1=O 409100507 TYDUQAGVBJLDQZ-VGSSETLESA-N 400.456 3.398 10 40 HGCB CCCn1c(SCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)n[nH]c1=O 6511611 GQSVKKNMUMIKPK-UHFFFAOYSA-N 414.487 3.093 10 40 HGCB aggregator COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc4ccccc34)C2=O)cc(OC)c1O 16195052 NTJSDFMVUZIUAC-MHWRWJLKSA-N 418.405 3.229 10 40 HGCB O=C(CSc1nnc(-c2ccncc2)n1Cc1ccco1)c1ccc(O)c(O)c1 16756241 ARTJEFJRBGDBKX-UHFFFAOYSA-N 408.439 3.368 10 40 HGCB CC(=O)Nc1ccc(N/C=C2/C(=O)N=C(S)N(c3cccc(Cl)c3)C2=O)cc1 103109796 OZWJTAQRJKMYNQ-YBEGLDIGSA-N 414.874 3.453 10 40 HGCB CC(=O)N[C@@H]1[C@@H](OCc2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H]1N=[N+]=[N-] 4565575 IDUMJVMUHFWUKL-GUCLMQHLSA-N 424.457 3.226 10 40 HGCB CN(C)CCCNc1cccc2c1C(=O)c1cccc(NCCCN(C)C)c1C2=O 5140437 OHCRBHOFFJKSAZ-UHFFFAOYSA-N 408.546 3.189 10 40 HGCB COc1ccc(OCC(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1 13007844 VHRHXGNRIOEQRF-XMMPIXPASA-N 423.557 3.410 10 40 HGCB COc1ccc2[nH]cc(/C=C3\SC(=S)N(NC(=O)c4ccncc4)C3=O)c2c1 13692416 ZMJUQRDPOQDNKH-PXNMLYILSA-N 410.480 3.118 10 40 HGCB COc1ccc(N2CCN(C[C@H](O)COc3ccccc3Br)CC2)cc1 26781831 ANHLVIDTQKYXNV-KRWDZBQOSA-N 421.335 3.020 10 40 HGCB CN1C(=O)/C(=C/c2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)SC1=S 2441049 IUJRMYWXPVHARK-UVTDQMKNSA-N 413.455 3.457 10 40 HGCB CCN(CC)S(=O)(=O)c1ccc(N2CC=C(c3c[nH]c4ncccc34)CC2)nc1 12551442 KTQSKPLCMABVRD-UHFFFAOYSA-N 411.531 3.282 10 40 HGCB CN(C)c1ccc([C@H](CNC(=O)c2cc(-c3ccccc3)on2)N2CCOCC2)cc1 28296118 YICLVPXRKCWOBU-QFIPXVFZSA-N 420.513 3.211 10 40 HGCB CC(C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1 409191334 VWQZBLOGHHVSGT-GZTJUZNOSA-N 410.451 3.003 10 40 HGCB Cc1cc(C(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c(C)n1-c1ccccc1 3602204 WAHOGNSJCYHPON-UHFFFAOYSA-N 403.394 3.481 10 40 HGCB O=C(O)C[C@@H](C(=O)O)N1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S 4357064 DAXASHYCRHBKQQ-SGRPLGENSA-N 406.268 3.123 10 40 HGCB Cc1cc([N+](=O)[O-])ccc1/C=C1/C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O 6188954 VXZYNUIZZJFLNH-DHDCSXOGSA-N 401.831 3.388 10 40 HGCB COc1cc(N2CCOCC2)ccc1CN1CCC(O)(c2ccccc2OC)CC1 12328416 JBMKEJXNLKSWAT-UHFFFAOYSA-N 412.530 3.024 10 40 HGCB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCN(c3ccc(OC)cc3)CC2)c1C 57483893 HYNFVUKQWQNNLB-QGZVFWFLSA-N 413.518 3.210 10 40 HGCB Cc1cccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(N4CCCC4)cc3)C2=O)c1 6614289 YZCLUBBLENNOMQ-ZHZULCJRSA-N 404.470 3.127 10 40 HGCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ccc(Cn2cnnc2)cc1 112286339 UGVILOMIELXZLO-ZHZULCJRSA-N 417.429 3.343 10 40 HGCB COc1ccc(N2CCN(C[C@H](O)CO[C@@H]3C(C)(C)[C@H]4CC[C@@]3(C)C4)CC2)cc1 229949439 WEAXTKZCSPKKGW-UXEORXRVSA-N 402.579 3.410 10 40 HGCB O=C(O)CCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc3c(c1)OCO3)N2 4623645 FKCUFGDZFCIEGA-DMPWYTOCSA-N 406.438 3.446 10 40 HGCB Cc1ccc(N2C(=O)/C(=C\c3ccc(N4CCN(C)CC4)o3)C(O)=NC2=S)cc1 12363031 KVMFSQIVRLCLRR-LGMDPLHJSA-N 410.499 3.011 10 40 HGCB O=C(O)c1ccc(/C=C2/SC(=S)N(c3ccc(O)c(C(=O)O)c3)C2=O)cc1 32707960 GSXDRHIYYLKUIC-VGOFMYFVSA-N 401.421 3.194 10 40 HGCB CCOC(=O)[C@H](C)n1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc21 33387114 MJHFCVKKVABRSY-CCNLRRDASA-N 403.438 3.227 10 40 HGCB COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)cc1 223598814 SGOIBMOAZLBIBC-LEWJYISDSA-N 408.527 3.154 10 40 HGCB Cc1cc(C)cc(Cc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2Br)c1 408876752 NFCNEQRAAACKNF-UHFFFAOYSA-N 413.271 3.406 10 40 HGCB COC(=O)c1c(NC(=O)C[C@H]2Nc3ccccc3NC2=O)sc2c1CC[C@@H](C)C2 646215 FQDDXDFQANSHAW-IAQYHMDHSA-N 413.499 3.421 10 40 HGCB CCOc1ccc(OCC)c(N2C(=O)N=C(O)/C(=C\c3ccc(O)cc3O)C2=O)c1 59104518 IQHZTAAFYUXQQL-OQLLNIDSSA-N 412.398 3.402 10 40 HGCB COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)/C1=C\c1ccc(O)c(OC)c1 2200631 SDZUMWRNXVKYBZ-BOPFTXTBSA-N 423.421 3.065 10 40 HGCB COC(=O)COc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl 108033546 UDEJSTWARQBXKQ-QPEQYQDCSA-N 421.236 3.007 10 40 HGCB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccc(N2CCOCC2)cc1OC 409376728 AMJRUTKZOXCJMX-IBGZPJMESA-N 415.515 3.300 10 40 HGCB Cc1cc(-c2csc(N3CCCC3)n2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 7363153 VBELVJHUSMSMKC-UHFFFAOYSA-N 402.545 3.465 10 40 HGCB O=C1NC(=S)S/C1=C\c1cc(Br)c(I)o1 15015835 IPXKXXYGQIQREK-DJWKRKHSSA-N 416.059 3.136 10 40 HGCB CN1CCN([C@@H](c2ccc(Br)cc2)c2cc3c(cc2O)OCO3)CC1 20736012 SENLDFNCVBHPCU-IBGZPJMESA-N 405.292 3.220 10 40 HGCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(N3CCOCC3)cc2C)C1=O 409105317 IJPQBFSKDZKVBM-HMMYKYKNSA-N 419.481 3.060 10 40 HGCB CCCc1nnc(S/C(=C/c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C(=O)O)[nH]1 7342369 BHDHNFFBXWTLOA-RVDMUPIBSA-N 403.464 3.483 10 40 HGCB Cn1cc(/C=C2\SC(=S)N(NC(=O)c3cccc(O)c3)C2=O)c2ccccc21 13777866 ZVNFHFVGAXUHDE-YVLHZVERSA-N 409.492 3.430 10 40 HGCB Cc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)cc1C 16838338 KGOPFFAZOQQVAE-XMMPIXPASA-N 407.558 3.489 10 40 HGCB COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1cccc(OC)c1OC 35087831 PHCBLTSOXFAWEW-ATVHPVEESA-N 424.409 3.489 10 40 HGCB CCOc1cc2c(cc1/C=C1/C(=O)N(c3cccc(C(=O)O)c3)C(=O)N=C1O)OCO2 13838806 GIXCHUXJSGGHTG-VGOFMYFVSA-N 424.365 3.019 10 40 HGCB COc1ccc(/C=C2/SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)c(OC)c1 20064972 NRIMKACVIDJBBV-KGENOOAVSA-N 423.538 3.492 10 40 HGCB COc1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)c([N+](=O)[O-])c1 35377626 UUJYLHGNVGWYJY-UHFFFAOYSA-N 420.809 3.127 10 40 HGCB Cc1cc(C(=O)COC(=O)C2(O)CCCCC2)c(C)n1-c1ccc2c(c1)OCCO2 14146920 QQWVDXKUIFOJGM-UHFFFAOYSA-N 413.470 3.286 10 40 HGCB COc1ccc(N2CCN(C(=O)[C@H]3CCCN(Cc4ccc(F)cc4)C3)CC2)cc1 38851155 NPCVFYOCXCTPCK-FQEVSTJZSA-N 411.521 3.395 10 40 HGCB COc1ccc(N2CCN([C@H]3CC(=O)N(c4ccc(C)c(Cl)c4)C3=O)CC2)cc1 2620471 GOGXQTKCZRQCQO-FQEVSTJZSA-N 413.905 3.111 10 40 HGCB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCc1ccco1 4999647 CFWYAUDLRMALSG-PDGQHHTCSA-N 410.455 3.219 10 40 HGCB Cc1csc(SCC(=O)c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)n1 24853592 NVDXKYWPZISSEK-UHFFFAOYSA-N 421.569 3.481 10 40 HGCB CCOC(=O)Cn1cc(/C=C2/C(=O)NN(c3cccc(Cl)c3)C2=O)c2ccccc21 17146228 UKIUYQDQIBOQNH-ZDLGFXPLSA-N 423.856 3.319 10 40 HGCB CCOC(=O)c1ccc(-c2ccc(/C=C3\SC(N4CCOCC4)=NC3=O)o2)cc1 26763593 QLIKSBHKYCULNF-AQTBWJFISA-N 412.467 3.426 10 40 HGCB Cc1c(/C=C2/C(=O)NC(=S)N(C)C2=O)c2ccccc2n1Cc1ccccc1F 86053450 HRLYKFRCWSIEDB-BOPFTXTBSA-N 407.470 3.394 10 40 HGCB CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N\c1cc(Cl)cc(S(=O)(=O)O)c1O 104212873 LSFNRVBPDLEXDS-JGWKNBOWSA-N 408.823 3.167 10 40 HGCB COc1ccc(CCNC(=O)c2ccc(/C=C3\SC(=S)N(C)C3=O)cc2)cc1 5374703 FPORULHGPPTVLG-AQTBWJFISA-N 412.536 3.499 10 40 HGCB O=C1/C(=C/c2cccc(Cl)c2)SC(=S)N1CC(=O)N1CCCC[C@@H]1CCO 13574948 AFDGSSXJFHFUKJ-DFSFMLJYSA-N 424.975 3.305 10 40 HGCB COc1ccc([C@H](c2nnnn2C(C)C)N2CCN(c3ccc(OC)cc3)CC2)cc1 20140484 VMAPVFHWZBWBQO-JOCHJYFZSA-N 422.533 3.183 10 40 HGCB O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\NCCCc1ccccc1 408552705 UTRGAOGXUBZHMK-QINSGFPZSA-N 417.893 3.333 10 40 HGCB CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(O)cc3)C2=O)ccc1O 2212632 CNGZJISDRFVCOY-YBEGLDIGSA-N 416.480 3.043 10 40 HGCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccc(C(=O)O)cc3)C2=O)c1 4677225 ADMYQOWLGFWXAK-CPNJWEJPSA-N 415.405 3.150 10 40 HGCB COc1ccc(N2CCN([C@H](c3nnnn3Cc3ccccc3)C(C)C)CC2)cc1 57670664 QKBMXYVHIZHFAG-QFIPXVFZSA-N 406.534 3.249 10 40 HGCB COc1ccc(Nc2cc(NCCO)c(N)c3c2C(=O)c2ccccc2C3=O)cc1 5451910 JMNJXTNDHJZKFU-UHFFFAOYSA-N 403.438 3.201 10 40 HGCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1cccn1Cc1ccccc1Cl 13552880 IRTXMMCNJORYLN-GZTJUZNOSA-N 409.829 3.445 10 40 HGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3cccc(C(=O)O)c3)C2=O)cc1 409096394 KGGMPCSAXZQIDP-CPNJWEJPSA-N 415.405 3.150 10 40 HGCB CC[C@H](C)Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccc(C(=O)O)cc2)C1=O 409192904 GVMSDNLCXBUUOQ-VLURKWGBSA-N 424.478 3.393 10 40 HGCB COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCCc1cccs1 4999668 ORFYJLHECXNCPT-ZHZULCJRSA-N 413.499 3.129 10 40 HGCB COc1ccc(CN2C(=O)[C@H](Cc3cc4c(cc3OC)OCO4)SC2=S)cc1 8117187 AHYKCRGCAGIHQH-SFHVURJKSA-N 417.508 3.404 10 40 HGCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cn(C(C)=O)c3ccccc23)C1=O 9166037 UTJDHKCFAPTDPZ-SFQUDFHCSA-N 417.421 3.367 10 40 HGCB N=C1/C(=C/c2ccc(O)c(Br)c2)C(=O)N=C2SC(c3ccco3)=NN12 15945502 MOUCBGQLTJMOOG-FCBMYGLWSA-N 417.244 3.415 10 40 HGCB O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cccc(N2C(=O)CCC2=O)c1 17200484 JGACFHVDYBUSKC-UHFFFAOYSA-N 424.412 3.368 10 40 HGCB Cc1ccc(Sc2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)cc2[N+](=O)[O-])cc1 32124935 OFDWLQIHIVDVRR-UHFFFAOYSA-N 411.439 3.488 10 40 HGCB COc1ccc(N2CCN(C(=O)CNc3cccc(OC(F)(F)F)c3)CC2)cc1 48326149 DMEXKBCHTFUSEX-UHFFFAOYSA-N 409.408 3.355 10 40 HGCB CN(C)c1ccc(CN2CCC(O)(Cn3nc(-c4cccs4)ccc3=O)CC2)cc1 19584961 AMKNHHIYKIJRGH-UHFFFAOYSA-N 424.570 3.065 10 40 HGCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OC(=O)c1ccccc1 33307259 HDJWRKMAYJVEHT-RGEXLXHISA-N 414.417 3.376 10 40 HGCB CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(C)c1 408552007 RERSNDFDIBVYRO-QGOAFFKASA-N 401.532 3.500 10 40 HGCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cn(C(C)=O)c4ccccc34)C2=O)cc1 4660854 ATQJCGYYECPQPD-UNOMPAQXSA-N 417.421 3.367 10 40 HGCB C[C@H]1CCc2c(sc3nc(CCC(=O)NCc4ccc(N(C)C)cc4)[nH]c(=O)c23)C1 9223766 NZDWAYSFVIDOQK-AWEZNQCLSA-N 424.570 3.424 10 40 HGCB CCOC(=O)c1[nH]c2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccccc2F)C1=O 9330117 RHKHRSNFSMAVQJ-SDNWHVSQSA-N 421.384 3.150 10 40 HGCB COc1cc(/C=C2\SC(N3CCN(c4ccccc4F)CC3)=NC2=O)ccc1O 13751730 LOIXYIIMQYSTRU-UYRXBGFRSA-N 413.474 3.332 10 40 HGCB O=C1c2ccccc2C(=O)c2c1c(C(=O)N1CCCC[C@@H]1CCO)c1ccccn21 95480019 PNNYDMYKHSWGRW-OAHLLOKOSA-N 402.450 3.092 10 40 HGCB OC[C@H]1CCCN(c2ncc3c(n2)C[C@H]2CC[C@H]3N2Cc2cc(Cl)ccc2O)C1 100754047 CHSMBKBLMHSVAU-JNAXZKDPSA-N 414.937 3.306 10 40 HGCB COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(N)=O)cc3)c2C)C1=O 409223895 GNYPFEARYJSVEZ-LDADJPATSA-N 413.499 3.266 10 40 HGCB Cc1cc(O)c(CN2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1C 23805868 WRZOOSHKAXPBMU-UHFFFAOYSA-N 400.544 3.004 10 40 HGCB O=C(CN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)Nc1ccc2c(c1)OCO2 57434704 VTSJTXYAOGJRDK-FRKPEAEDSA-N 416.455 3.394 10 40 HGCB O=C(O)COc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1Cl 409086667 AHYHYOFSMMWKNU-ODYDIQAQSA-N 413.904 3.184 10 40 HGCB CN(C)CCOC(=O)CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 5376107 BYOIHTUOKVCFNG-ZNXZVAGTSA-N 404.557 3.329 10 40 HGCB COc1ccc(/C=C2\SC(=S)N([C@H](CCSC)C(=O)O)C2=O)c(OC)c1 13583157 UVUMEQJXUQOXTP-UGMNDJHYSA-N 413.542 3.111 10 40 HGCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 24192646 OAJZPKJOOHCQKT-QHCPKHFHSA-N 410.514 3.353 10 40 HGCB COC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)sc2c1CCCCCC2 100507651 GWXPNBDKQUNSRF-RKLWJJNISA-N 407.488 3.010 10 40 HGCB COc1cccc(C=C2C(=O)NC(=O)NC2=O)c1OCc1ccc(Cl)c(Cl)c1 408883235 SBQOQMJJDHGFEH-UHFFFAOYSA-N 421.236 3.330 10 40 HGCB O=C1N=C(O)/C(=C\c2ccc(O)cc2O)C(=O)N1c1ccc(Br)cc1 2307004 VJTXSGKZAHEYIL-NTUHNPAUSA-N 403.188 3.367 10 40 HGCB COc1cc(/C=C2/C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1OC 5173480 KKWVWVGBIIJDBV-AUWJEWJLSA-N 402.834 3.136 10 40 HGCB CN1CCc2cc([C@H](CNS(=O)(=O)c3ccc(Cl)cc3)N3CCCC3)ccc21 8801001 IBFXVIBSEPSBEF-NRFANRHFSA-N 419.978 3.448 10 40 HGCB O=C(O)COc1cccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)c1 13800301 WVCRQCASIDCKND-DHDCSXOGSA-N 400.774 3.310 10 40 HGCB CN(C)c1ccc(CN2C[C@H](O)C[C@H]2c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 15674841 ZWPMIXJMKUYMMX-MOPGFXCFSA-N 409.446 3.019 10 40 HGCB biogenic,in-vitro COc1ccc(OC)c(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c1 17090896 ASMXXGAAHJTTBA-UVTDQMKNSA-N 416.886 3.497 10 40 HGCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccc(O)cc1 223578391 MQRBNYIHQATACF-LEWJYISDSA-N 408.527 3.160 10 40 HGCB COc1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1NC(=O)c1ccccc1 716534 QGTBUAUXLUEPQC-UHFFFAOYSA-N 416.389 3.446 10 40 HGCB Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc1 4541418 PLUVUTUMTFSQJB-UHFFFAOYSA-N 403.438 3.236 10 40 HGCB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2cc(OC)c(O)c(OC)c2)SC1=S 5372000 AVOXSUIGDGAQLV-HOXUKUGESA-N 411.501 3.254 10 40 HGCB O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)c1ccc2c(c1)OCO2 13097370 IESTZCQWVIBQPG-UHFFFAOYSA-N 414.369 3.230 10 40 HGCB O=S(=O)(NCc1ccc(N2CCOCC2)cc1)c1cc(Cl)ccc1Cl 13668677 SBDNBSCRUVTELF-UHFFFAOYSA-N 401.315 3.309 10 40 HGCB Cc1cc(/C=C2/C(=O)NC(=S)N(C)C2=O)c(C)n1-c1ccc(Br)cc1 409146536 UNMDHOIRFBEWJK-DHDCSXOGSA-N 418.316 3.113 10 40 HGCB CCN1C(=O)/C(=C/c2ccc(OCC(=O)O)c(Br)c2)SC1=S 409375594 MUUVNWAIRSNNTM-WDZFZDKYSA-N 402.291 3.134 10 40 HGCB COc1ccc(N2CCN(C(=O)CSc3nnc(-c4ccc(C)cc4)o3)CC2)cc1 882244 FYBJGIMHQXUEMO-UHFFFAOYSA-N 424.526 3.495 10 40 HGCB C[C@@H](CN(C)C)Oc1ccc(O[C@@H](C)CN(C)C)c2c1C(=O)c1ccccc1C2=O 4783347 BHJBHNPPUHUGQH-HOTGVXAUSA-N 410.514 3.120 10 40 HGCB Cn1c(/C=C2/SC(=S)N(NC(=O)C3CCCCC3)C2=O)nc2ccccc21 5236053 ACXWDCHBNHCCQK-RVDMUPIBSA-N 400.529 3.386 10 40 HGCB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1 13007876 HSACVGRAYPXUIL-QHCPKHFHSA-N 420.557 3.269 10 40 HGCB COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)NCC(OC)OC)cc1 17089524 CUHRIYVEGNFWPU-ZHZULCJRSA-N 413.449 3.068 10 40 HGCB Cc1c(/C=C2/NC(=O)N(CC(=O)O)C2=O)c2ccccc2n1Cc1ccccc1F 408593638 QSPHQTIFBSFDJR-VCHYOVAHSA-N 407.401 3.114 10 40 HGCB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(/N=N\c4ccccc4)cc3)C(=O)[C@@H]12 409278419 DYHWWVNHNDKJDG-OYJAFSOVSA-N 417.421 3.478 10 40 HGCB O=C1N=C(O)/C(=C\NN2CCCC[C@H]2c2cccnc2)C(=O)N1c1ccccc1F 8970969 ZYKGYMJLWTVNBJ-VOGRQWBCSA-N 409.421 3.260 10 40 HGCB C[C@@H](C(=O)N1CCCC[C@@H]1CCO)N1C(=O)/C(=C/c2cccc(F)c2)SC1=S 9302968 AQHCKWRJQBUCRM-ULMFOFDQSA-N 422.547 3.179 10 40 HGCB O=C(O)c1cc(N2C(=O)/C(=C/c3ccc4c(c3)OCCO4)SC2=S)ccc1O 33538553 OAZVDTOIMLRSDO-PXNMLYILSA-N 415.448 3.267 10 40 HGCB COc1cccc(/C=C2\C(=O)N(c3ccc(C(=O)O)cc3)N=C2C(F)(F)F)c1O 36610968 MYHQNKOJWQMGCO-LCYFTJDESA-N 406.316 3.448 10 40 HGCB O=C(Nc1cccc(NS(=O)(=O)c2cccc3nsnc23)c1)c1ccco1 19079349 GDEVKIARVIQMGL-UHFFFAOYSA-N 400.441 3.337 10 40 HGCB COC[C@H](C)N1C(=O)/C(=C/c2cc(O)c(OC)cc2Br)SC1=S 96935918 VYQQWXMZXVPEFE-ZGJMHTSCSA-N 418.334 3.399 10 40 HGCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)cc1 107575985 XIGVYYAOQJSFAA-XNTDXEJSSA-N 415.452 3.150 10 40 HGCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc(OCc2cccc(C(=O)O)c2)c1 107667038 VAIZMQGJRKPJMM-STZFKDTASA-N 414.417 3.425 10 40 HGCB CN1CCCc2cc([C@H](CNS(=O)(=O)c3cccc(F)c3)N3CCCC3)ccc21 8799104 IPNNOKQEPQWKCU-QFIPXVFZSA-N 417.550 3.324 10 40 HGCB COc1cccc(N2C(=O)N=C(O)/C(=C\NN3CCCC[C@@H]3c3cccnc3)C2=O)c1 8994926 REFQSLAAQCHPOU-YWXUCKCNSA-N 421.457 3.129 10 40 HGCB Cc1noc(C)c1S(=O)(=O)N(C)CC(=O)c1cc(C)n(-c2ccccc2F)c1C 19296509 JNJNOCGPTGRLBV-UHFFFAOYSA-N 419.478 3.341 10 40 HGCB CCN(CCC(=O)Nc1cc(C)on1)Cc1ccc(N2CCC(OC)CC2)cc1 58248936 IAFMKPCPCKERFI-UHFFFAOYSA-N 400.523 3.449 10 40 HGCB CCCN1CCc2cc(CN3CCC(Cc4nn(C)cc4C(=O)N(C)C)CC3)ccc21 19756719 MMPIWSJWYFCIIL-UHFFFAOYSA-N 423.605 3.349 10 40 HGCB O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1ccc([N+](=O)[O-])cc1 19842250 ZBJWIOWTZOZXHO-RGEXLXHISA-N 408.483 3.383 10 40 HGCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/NC34CC5CC(CC(C5)C3)C4)C2=O)cc1 20790512 AGKUAKQFARRGKY-UYRXBGFRSA-N 409.486 3.110 10 40 HGCB CN(C)c1ccc(CN2CCC3(CC2)CN(S(=O)(=O)Cc2ccccc2)C3)cc1 96203025 DMGRJFKSGQIHMK-UHFFFAOYSA-N 413.587 3.180 10 40 HGCB O=C(NN1C(=O)/C(=C/c2ccc3ncccc3c2)SC1=S)c1ccc(O)cc1 102737423 IEMXFQXMFZPIKB-BOPFTXTBSA-N 407.476 3.487 10 40 HGCB O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccc(O)c(O)c2)C(=O)N1Cc1ccccc1 136391801 VWXGOXBOHRFSEE-FDFHNCONSA-N 416.433 3.145 10 40 HGCB COC(=O)[C@H](C)N1C(=O)S/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)C1=O 206149029 QVNJGOAAJBGAJH-QNKACBJSSA-N 401.396 3.243 10 40 HGCB O=C(NN1C(=O)/C(=C\c2ccc3ncccc3c2)SC1=S)c1ccccc1O 9419929 IQCMIHSADHFBDE-GZTJUZNOSA-N 407.476 3.487 10 40 HGCB CCN(CC)c1ccc(/C=c2\sc3nc(-c4ccccc4OC)nn3c2=O)cc1 13512222 IMCGPNYNTRSEMV-RGEXLXHISA-N 406.511 3.221 10 40 HGCB COC(=O)/C=C\c1ccc(N2CCC[C@@H]2CNC(=O)OC(C)(C)C)c([N+](=O)[O-])c1 98056197 ZMWGFBVIYRYRLZ-WKTRQSJXSA-N 405.451 3.275 10 40 HGCB CNC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)ccc1OC 223783993 TZGKHIITQLYWMI-UHFFFAOYSA-N 424.478 3.087 10 40 HGCB COc1ccc(N2CCN(c3ncnc4c3cnn4-c3ccc(OC)cc3)CC2)cc1 2369378 VNQYFGASUSKDRH-UHFFFAOYSA-N 416.485 3.159 10 40 HGCB CCCC[C@H](C(=O)O)N1C(=O)/C(=C/c2cc(OC)c(O)c(OC)c2)SC1=S 5372003 AVOXSUIGDGAQLV-RLIURORJSA-N 411.501 3.254 10 40 HGCB COc1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc(Cl)c1OC 12608329 GNMXGMOVOJAMCM-UHFFFAOYSA-N 404.894 3.466 10 40 HGCB CCNC(=O)COc1ccc(/C=C2/SC(NC3CCCCC3)=NC2=O)cc1OC 97990783 ANFYFVXESJEZPK-LDADJPATSA-N 417.531 3.103 10 40 HGCB CN(C(=O)c1c[nH]nc1[C@@H]1CCCN(C(=O)C[C@H]2CCCCO2)C1)c1ccccc1 257286056 PKAODSUNAMEZDW-IEBWSBKVSA-N 410.518 3.352 10 40 HGCB COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1 1205065 JIQJQGGBYVQVLK-GDNBJRDFSA-N 417.284 3.289 10 40 HGCB C[C@@H](C(=O)N1CCCC[C@@H]1CCO)N1C(=O)/C(=C/c2cccs2)SC1=S 6660949 ONSBQOPWWHENMZ-BUJPYTEUSA-N 410.586 3.101 10 40 HGCB Cc1c(Cc2ccccc2)c(=O)oc2c(CNCCCN3CCCC3=O)c(O)ccc12 6760691 LKTCMNASATZRPC-UHFFFAOYSA-N 420.509 3.500 10 40 HGCB COc1cc(/C=C2\C(=N)N3N=C(COc4cccc(C)c4)SC3=NC2=O)ccc1O 9762799 MCTDPVQIQUGTNO-JGKMOTJLSA-N 422.466 3.407 10 40 HGCB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(O)c(O)c3)[C@H]2C(=O)N1c1ccc(F)cc1 13804858 ZYLNGPQLLWQJDG-QHAWAJNXSA-N 420.396 3.288 10 40 HGCB CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccc2c(c1)CCCC2 15360941 GBTHQFBDOGQOFR-UHFFFAOYSA-N 400.544 3.223 10 40 HGCB O=C(NN1C(=O)/C(=C\C=C\c2ccco2)SC1=S)c1ccc([N+](=O)[O-])cc1 1872684 OCLFIFOQTWUIEA-GSPDUGTFSA-N 401.425 3.290 10 40 HGCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1O 4546339 FIHDCUUBBTVPNV-JXMROGBWSA-N 407.209 3.374 10 40 HGCB COC(=O)C1=C(C)N(C2CCCC2)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 5977580 VLJYDWNLPHYDJC-YBEGLDIGSA-N 401.459 3.328 10 40 HGCB N=C1/C(=C/c2cc(Br)ccc2O)C(=O)N=C2SC(C(F)(F)F)=NN12 8721694 SWSUORRFDDYICL-DSDGHTGGSA-N 419.182 3.336 10 40 HGCB CSCC[C@@H](C(=O)O)N1C(=O)/C(=C\C2=Cc3ccccc3OC2)SC1=S 8990830 PKAOWGZIAVZOMF-NCPSJORJSA-N 407.538 3.413 10 40 HGCB COc1cc(/C=C2\SC(Nc3ccccc3F)=NC2=O)ccc1OCC(=O)O 33332265 PIBNOUJNZKHIHW-SXGWCWSVSA-N 402.403 3.380 10 40 HGCB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(N4CCCCC4)cc3C)C2=O)o1 33511028 VBDDCBYGKQRNSE-UYRXBGFRSA-N 423.469 3.458 10 40 HGCB O=C(O)/C=C\C(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccccc1O 40487515 IWMPYCAQBDZDER-ZBTGYSDGSA-N 415.243 3.473 10 40 HGCB CSCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc3c(c2)CCCN3C)SC1=S 54360855 PBQSMIPLBZGJDO-CNYBTUBUSA-N 422.597 3.477 10 40 HGCB O=C(CCN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1ccc2nccnc2c1 54361069 OSRQSGPQQCSQRU-WJDWOHSUSA-N 410.480 3.453 10 40 HGCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCc1ccccc1C 408923791 KCLGFMXWRCMGDC-UHFFFAOYSA-N 414.845 3.376 10 40 HGCB Cc1ccc(/C=C2\C(=O)NN(c3ccc(Br)cc3)C2=O)cc1[N+](=O)[O-] 831646 AKWMPYUACDSPOF-RIYZIHGNSA-N 402.204 3.127 10 40 HGCB COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC(C)C)c(OC)c3)C2=O)cc1 2755687 DINGVMOGYNIKBT-BOPFTXTBSA-N 410.426 3.157 10 40 HGCB CCOc1ccc(Br)cc1C[C@@H]1SC(=S)N(CCOC)C1=O 6963954 LWBKTEBDSAQCSC-ZDUSSCGKSA-N 404.351 3.266 10 40 HGCB O=C(c1cnccn1)N(Cc1ccco1)C1CCN(c2ccc3c(c2)OCO3)CC1 72342407 PFWKBCRPOXDWOR-UHFFFAOYSA-N 406.442 3.110 10 40 HGCB CCN(CC)c1ccc(CNC(=O)[C@H](C)N(c2cccc(C)c2)S(C)(=O)=O)cc1 222843786 VVQPFNUNVRLZCV-SFHVURJKSA-N 417.575 3.312 10 40 HGCB CCN(CC)c1ccc(N/C=C2\C(=O)NC(=O)N(CCc3ccccc3)C2=O)cc1 5024857 MYEPPBJIQSGJQI-CAPFRKAQSA-N 406.486 3.150 10 40 HGCB CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccccc3)N3CCCCC3)ccc21 9138392 CQRCEEHYQUBYJJ-HSZRJFAPSA-N 420.557 3.351 10 40 HGCB CSCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc3nccnc3c2)SC1=S 54361133 OTEBQRBFOSVSMA-CKXDQPNJSA-N 405.526 3.037 10 40 HGCB CCc1ccc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)cc1 103593455 FWGHEJQHYOUIDF-PALNNIJKSA-N 409.515 3.271 10 40 HGCB CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCC2)cc1)c1cccc(Cl)c1 13668894 ZXXKGSMGEFBDTO-UHFFFAOYSA-N 421.950 3.023 10 40 HGCB COc1ccc(N2CCN(C(=O)CCc3nc(-c4cccc(C)c4)no3)CC2)cc1 15669994 NEDQOMXOWJKHLA-UHFFFAOYSA-N 406.486 3.335 10 40 HGCB CCOc1ccccc1C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCOCC1 16838277 UASYVRJIXZRLGT-QHCPKHFHSA-N 423.557 3.271 10 40 HGCB O=C(O)C[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccccc3F)o2)SC1=S 40144916 AAIWBUMKBFIDIL-OBTCNRAFSA-N 421.427 3.215 10 40 HGCB CN(C)c1ccc(CNC(=O)C2CCN(Cc3nc(-c4ccccc4)no3)CC2)cc1 40930133 QEYUVFVZHIIEAV-UHFFFAOYSA-N 419.529 3.331 10 40 HGCB Cc1cc(N2C(=O)NC(=O)/C(=C/c3ccc(O)cc3)C2=O)ccc1Br 4704498 BAWKKPGWYKDRNU-ZROIWOOFSA-N 401.216 3.130 10 40 HGCB Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1ccc(Br)cc1 4704579 MVTOJABCHLBTAD-UHFFFAOYSA-N 416.275 3.290 10 40 HGCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)/C=C/c1ccc2c(c1)OCCCO2 8164665 UNEDOVQUOAOMHH-UXBLZVDNSA-N 408.498 3.356 10 40 HGCB COc1ccccc1/C=C1\SC(=S)N(NC(=O)c2ccccc2OC)C1=O 13758781 MJOTVQZVMNAIMJ-WJDWOHSUSA-N 400.481 3.250 10 40 HGCB CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/Nc2nccs2)SC1=S 256055840 WFVFDFQDILFUSP-UROBUVALSA-N 419.553 3.431 10 40 HGCB O=C1NC(=S)N(c2cccc3ccccc23)C(=O)/C1=C/c1ccc2c(c1)OCO2 8382061 SXFPRGUWERRIIZ-MHWRWJLKSA-N 402.431 3.400 10 40 HGCB Cc1cc(C(=O)COC(=O)C2=NNC(=O)CC2)c(C)n1-c1cccc(C(F)(F)F)c1 8671467 JPNZFHDAEVOZSJ-UHFFFAOYSA-N 421.375 3.105 10 40 HGCB Cc1cc(O)cc(=O)n1CC(=O)OCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1 79054940 VYZPPJWTCLWAOE-OCOZRVBESA-N 420.425 3.460 10 40 HGCB CCc1cc([N+](=O)[O-])ccc1N/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2C)C1=O 408535538 TWHGNMSJSYDZGY-LFIBNONCSA-N 408.414 3.353 10 40 HGCB Cc1cc(C)cc(Cc2ccc(Br)cc2C=C2C(=O)NC(=O)NC2=O)c1 408881412 MELVZACMBDJXLR-UHFFFAOYSA-N 413.271 3.406 10 40 HGCB C[C@@H](C(=O)Nc1ccc(C(=O)O)cc1)N1C(=O)/C(=C\c2ccco2)SC1=S 28296865 DWOPJAUQFVKYCI-RSYJBZMQSA-N 402.453 3.206 10 40 HGCB O=C1NC(=S)NC(=O)C1=Cc1cc(Br)c(Sc2ccccc2)o1 408998766 SCYJYOPIACCJHT-UHFFFAOYSA-N 409.286 3.108 10 40 HGCB CN1CCc2cc([C@H](CNS(=O)(=O)c3ccc(F)cc3)N3CCCCC3)ccc21 8801573 VWOGCRXTQNFYLH-QFIPXVFZSA-N 417.550 3.324 10 40 HGCB CCCCN1C(=O)[C@H](C(=O)OCC)[C@H](c2ccc(O)c(O)c2)n2c1nc1ccccc12 20675301 JPVGNBLOKBWLRB-UXHICEINSA-N 423.469 3.363 10 40 HGCB CCN(CC)CCNC(=O)[C@@H]1Cc2ccccc2CN1Cc1cc(Cl)ccc1O 199407683 CJDAMLTZDNRNCI-NRFANRHFSA-N 415.965 3.431 10 40 HGCB O=C1[C@H]2[C@H]3C=C[C@@](C4OCCO4)(O3)[C@@H]2C(=O)N1c1ccc(/N=N\c2ccccc2)cc1 409289972 PZTDJWYADZUYFE-WLHHLDLVSA-N 417.421 3.288 10 40 HGCB COc1ccc(/C=C2\SC(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)=NC2=O)cc1 9009528 YKBQIBAIRTYNFD-RGEXLXHISA-N 424.482 3.396 10 40 HGCB COc1ccc(OC)c(N2C(=O)/C(=C\c3cn(C)c4ccccc34)C(=O)NC2=S)c1 9335076 RHKDKCGRYAMNQL-YBEGLDIGSA-N 421.478 3.027 10 40 HGCB Cc1cccnc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c1C 223584435 GVIXUSQSWSGSGN-PMACEKPBSA-N 407.543 3.157 10 40 HGCB CC(=O)NC1=NC(=O)/C(=C/c2cccc(OCC(=O)Nc3cccc(C)c3)c2)S1 408531083 NZDNJWHMRPYFAD-WQRHYEAKSA-N 409.467 3.119 10 40 HGCB O=C(CN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1cccc(C(=O)O)c1 2594494 SJEVQBCHOSKETM-JYRVWZFOSA-N 404.494 3.286 10 40 HGCB CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@@H](c2cccc(OC)c2O)N3)C1 4554829 PGXYMLQHCQXYNL-MRXNPFEDSA-N 403.460 3.406 10 40 HGCB O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 5374316 HUFJVRJMICCPTC-AYCSXLNKSA-N 413.476 3.312 10 40 HGCB O=S(=O)(O)c1ccc(/N=N\c2ccc(O)c3cc(S(=O)(=O)O)ccc23)cc1 25693665 REFKIHUNXIHIKW-ZCXUNETKSA-N 408.413 3.454 10 40 HGCB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc2c(cc1Cl)OCO2 208468858 WEPAJJYHHLMMHV-BJMVGYQFSA-N 404.806 3.039 10 40 HGCB COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(OC)c1 408984070 HWMTVMRPZVVZHV-NVNXTCNLSA-N 400.818 3.332 10 40 HGCB COc1ccc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)c(OC)c1 3773558 RQMBCJNZGBMZMB-RIYZIHGNSA-N 406.510 3.312 10 40 HGCB O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 5374314 HUFJVRJMICCPTC-XGHPXPSOSA-N 413.476 3.312 10 40 HGCB Cc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(C)n1-c1ccc(C(=O)O)cc1 409332511 PTCNHMBPOICJBB-NVNXTCNLSA-N 416.480 3.078 10 40 HGCB Cc1cc(C(=O)CSc2nnnn2C[C@@H]2CCCO2)c(C)n1-c1ccc(F)cc1 9864107 KKCCJYPYNKJVQK-KRWDZBQOSA-N 415.494 3.374 10 40 HGCB CN1CCN([C@H](CNC(=O)c2cccc(Cl)c2)c2ccc(N(C)C)cc2)CC1 22589224 VTEXCIBGLSUDSD-OAQYLSRUSA-N 400.954 3.125 10 40 HGCB COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1ccccc1Br 6348342 FMBFUOLGXMBKNM-QTNMRXCUSA-N 406.276 3.301 10 40 HGCB COc1cccc(CN2CCC(c3nc(C)c(C)c(N4CCOCC4)n3)CC2)c1O 72337252 AOOFWOVJLKLGIF-UHFFFAOYSA-N 412.534 3.024 10 40 HGCB CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)sc2c1CC[C@H](CC)C2 100684707 BKKVYXBZSGFURC-GPRZHXQZSA-N 421.515 3.256 10 40 HGCB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)COc2ccc([N+](=O)[O-])cc2)cc1 8846116 CSTOBOROCKOEST-OAQYLSRUSA-N 413.474 3.247 10 40 HGCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)CC(C)(C)O4)C2=O)cc1 408710792 KSXILCCVOBJVSX-LDADJPATSA-N 406.438 3.465 10 40 HGCB COc1ccc(N2CCN(C(=O)COC(=O)c3oc4ccccc4c3C)CC2)cc1 3555708 RDKCMJOYUNOWAV-UHFFFAOYSA-N 408.454 3.255 10 40 HGCB CCOC(=O)[C@H]1CCCN(C2=NC(=O)/C(=C/c3ccc(O)c(OCC)c3)S2)C1 4679946 DQBCWMVPDYCROS-FMNVXAMXSA-N 404.488 3.036 10 40 HGCB Nc1ccc(N(C(c2ccccc2)c2ccccc2)[C@H]2CS(=O)(=O)C[C@@H]2O)cc1 575422765 WLIBIMPWGOAEAQ-VXKWHMMOSA-N 408.523 3.023 10 40 HGCB COc1cc(/C=C2/SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)ccc1O 1452163 RYBBZFHEKOTILB-AAGJOFLKSA-N 401.465 3.428 10 40 HGCB CN(C)c1ccc(CN(C(=O)c2ccc(Cl)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 4163990 XRZDBITZWQVHFZ-LJQANCHMSA-N 406.935 3.236 10 40 HGCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C/c2cn(C(C)=O)c3ccccc23)C1=O 4949855 UTJDHKCFAPTDPZ-ATVHPVEESA-N 417.421 3.367 10 40 HGCB CCCOC(=O)CCCN1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)SC1=S 5483015 DGRYHKFWCDZNOC-QINSGFPZSA-N 407.513 3.408 10 40 HGCB Cc1ccccc1OCC1=NN2C(=N)/C(=C/c3ccc(O)c(O)c3)C(=O)N=C2S1 13943300 ARRJIUBZMLXOMA-PQJMHHKISA-N 408.439 3.104 10 40 HGCB CCCCOc1ccccc1/C=C1/SC(=S)N([C@@H]2CCS(=O)(=O)C2)C1=O 26458805 KTRBWSIXMFNRTO-DSQDWWTGSA-N 411.570 3.254 10 40 HGCB CC(=O)Nc1cccc(N/C=C2\C(=O)NC(=O)N(c3cccc4ccccc34)C2=O)c1 408537095 ZCPBCJLFYDQCCQ-CPNJWEJPSA-N 414.421 3.377 10 40 HGCB COc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(F)cc3)C(=O)NC2=S)cc1 409013786 VMXLNDUSXINEEH-CPNJWEJPSA-N 421.453 3.456 10 40 HGCB Cc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(N3CCCC3)cc2)C1=O 9265072 XISXECGJUXYLRI-XSFVSMFZSA-N 404.470 3.127 10 40 HGCB O=C(COC(=O)Cc1ccsc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 4966578 AJCHGPQCZMVUFU-UHFFFAOYSA-N 405.431 3.248 10 40 HGCB S=C(NNc1nc(=Nc2ccccc2)nc(N2CCCCC2)[nH]1)Nc1ccccc1 408726342 SEZYQCBOMVZBSJ-UHFFFAOYSA-N 420.546 3.341 10 40 HGCB COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl 6348203 MDBWAKNRZLJUBT-BUYRESAOSA-N 406.822 3.100 10 40 HGCB O=C(COC(=O)c1cccnc1Cl)Nc1cccc2c1C(=O)c1ccccc1C2=O 10802346 CUUAXLAHFCJBDO-UHFFFAOYSA-N 420.808 3.306 10 40 HGCB Cc1ccc(CNc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C)C2=O)cc1 27062069 FVCAYBQNJAACKB-WJDWOHSUSA-N 422.535 3.446 10 40 HGCB C[C@@H](C(=O)Nc1cccc(C(=O)O)c1)N1C(=O)/C(=C\c2ccco2)SC1=S 28296938 LMWHHMQBOMRGLA-RSYJBZMQSA-N 402.453 3.206 10 40 HGCB Cc1ccc(-c2ccc(/C=C3\SC(=S)N([C@H](CC(=O)O)C(=O)O)C3=O)o2)cc1 40564254 PJDSEUULTVDVCW-ATDKOCKZSA-N 417.464 3.384 10 40 HGCB O=C1NC(=O)C(=Cc2cn(Cc3ccc(Br)cc3)c3ccccc23)C(=O)N1 408863799 QDLGFYVNBMOXKH-UHFFFAOYSA-N 424.254 3.202 10 40 HGCB CCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)C1=O 409223972 GXCUBQCVTMRVCH-GZTJUZNOSA-N 419.528 3.188 10 40 HGCB O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc(I)c1 859658 PXFRVWNUHIQTIA-ZROIWOOFSA-N 424.625 3.406 10 40 HGCB Cc1cc(/C=C2\NC(=O)NC2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 408818641 OGFWJGONKRZLIE-ZDLGFXPLSA-N 419.397 3.370 10 40 HGCB COc1ccc2c3c(n(CCc4cnc[nH]4)c(=O)c2c1OC)-c1ccccc1C3=O 604404801 LHBHDLGUPZSVIQ-UHFFFAOYSA-N 401.422 3.196 10 40 HGCB biogenic Cc1ccccc1OCCn1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c2ccccc21 4082181 OXTVXDFSZGGLFI-UHFFFAOYSA-N 417.465 3.463 10 40 HGCB CCOc1ccccc1N1C[C@@](O)(c2ccc([N+](=O)[O-])cc2)[N+]2=C1SCCC2 27525068 AABVNMNIUNZPLV-HXUWFJFHSA-N 400.480 3.164 10 40 HGCB CC1=NN(c2ccc3nnc(C)n3n2)C(=O)/C1=C/Nc1cc(Cl)cc(Cl)c1 36357729 WUPMVQFWSOMWPA-RIYZIHGNSA-N 402.245 3.458 10 40 HGCB Oc1c(CN2CCOCC2)cc(/N=N\c2ccccc2)c(O)c1CN1CCOCC1 104085373 IMXTUESDHJSGRL-VHXPQNKSSA-N 412.490 3.178 10 40 HGCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccccc1O 223578013 VPFBDEYXZHUBFH-NHCUHLMSSA-N 408.527 3.160 10 40 HGCB C[C@H]1CCCN(c2ccc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)C1 223698190 SYHLQPAHFJIKMM-INIZCTEOSA-N 402.516 3.173 10 40 HGCB Cc1cccc(COc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2Br)c1 408805478 KKQANTUKCIJJOM-UHFFFAOYSA-N 415.243 3.086 10 40 HGCB COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2C)C1=O 705251 AHPXELALXOZLCI-GXDHUFHOSA-N 415.243 3.433 10 40 HGCB CC[C@@H](C)[C@H](NC(=O)CCN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S)C(=O)O 5552903 VIHLWYUSLNOLTE-NCWWNVCXSA-N 420.556 3.202 10 40 HGCB CN(C)c1ccc(N2C(=O)/C(=C\c3ccccc3OCC(N)=O)SC2=S)cc1 6273173 CETPCKHACDMSTF-GZTJUZNOSA-N 413.524 3.023 10 40 HGCB O=C(O)c1ccc(/C=C2/SC(=S)N(c3ccc(C(=O)O)c(O)c3)C2=O)cc1 32707952 VRIRGMHDHGLVFP-VGOFMYFVSA-N 401.421 3.194 10 40 HGCB CS(=O)(=O)c1cnc(-c2ccncc2)nc1C1CCN(Cc2ccccc2O)CC1 72335855 GVPRWFFWFSLODL-UHFFFAOYSA-N 424.526 3.027 10 40 HGCB Cc1cc(C)n(-c2ccc(CNCc3cc(O)cc(Br)c3O)cn2)n1 95467805 OEYOVYSNAQEJCZ-UHFFFAOYSA-N 403.280 3.348 10 40 HGCB Cc1cc(C(=O)COC(=O)C2=COCCO2)c(C)n1-c1ccc(OC(F)F)cc1 3294425 OUAAHCZUPFLSEY-UHFFFAOYSA-N 407.369 3.310 10 40 HGCB Cc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCC2)cc1 8799045 UKZLEQMHYJHSLG-QHCPKHFHSA-N 413.587 3.493 10 40 HGCB CC(C)(C)c1cc2nc3c(c(O)n2n1)CN(Cc1ccc(N2CCOCC2)cc1)CC3 12142905 DVKXUIXLJZUDMG-UHFFFAOYSA-N 421.545 3.127 10 40 HGCB CC1=NC(=S)N(NCC(=O)c2ccccc2)C(=O)[C@@H]1/N=N/c1ccc([N+](=O)[O-])cc1 68602413 WMZJSOSCXVJAQE-DUPNKOKHSA-N 424.442 3.023 10 40 HGCB COc1ccc(N/C=C2\C(=O)N=C(S)N(c3ccc(C)c(C)c3)C2=O)c(OC)c1 102554677 DIIYAFMXIUMNFT-LFIBNONCSA-N 411.483 3.476 10 40 HGCB CCC(=O)N1CCc2cc(S(=O)(=O)NCc3ccc(N4CCCC4)cc3)ccc21 225256840 UUPSJUJFXATUML-UHFFFAOYSA-N 413.543 3.064 10 40 HGCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 40009856 LGIKBASXIBUVQB-LJQANCHMSA-N 417.550 3.129 10 40 HGCB COc1ccc(N2CN=C3S[C@H](CC(=O)Nc4ccc(C)cc4C)C(=O)N3C2)cc1 65330181 ZMXCMIJDEVMBMA-LJQANCHMSA-N 424.526 3.376 10 40 HGCB CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)C1 260511836 SSLXVSVLGUAGML-ICSRJNTNSA-N 421.607 3.162 10 40 HGCB COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 408979777 SFRFZIXVJKBSEK-SXGWCWSVSA-N 413.426 3.178 10 40 HGCB O=C(NN1C(=O)/C(=C/c2coc3ccccc3c2=O)SC1=S)c1ccccc1 409383633 YPAIXGDPPLPMND-YBEGLDIGSA-N 408.460 3.339 10 40 HGCB O=C1NC(=O)N(CCC2=CCCCC2)C(=O)/C1=C\NCCc1c[nH]c2ccccc12 2369630 AGEJJTDULHHQCM-CYVLTUHYSA-N 406.486 3.153 10 40 HGCB COC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 8435017 VYTXEFUNJGJLFZ-UHFFFAOYSA-N 421.430 3.049 10 40 HGCB CN1C(=O)/C(=C\c2ccc(C(=O)Nc3ccc(C(=O)O)c(O)c3)cc2)SC1=S 10381683 HOKNSOVKAHMBKB-OVCLIPMQSA-N 414.464 3.174 10 40 HGCB Cc1ccccc1N1C(=O)N=C(O)/C(=C/NN2CCCC[C@H]2c2cccnc2)C1=O 20391472 CIYJBNZKEXNPPH-FCUDFIOSSA-N 405.458 3.429 10 40 HGCB O=C(CCN1C(=O)/C(=C/c2ccc(O)cc2)SC1=S)Nc1cccc(O)c1 54360751 QWOGMGGTEDXLFU-YBEGLDIGSA-N 400.481 3.328 10 40 HGCB CCN(CC)c1ccc(/C=C2/SC(=S)N(CCN3CCOCC3)C2=O)cc1 96930781 QFPGDNWNDSBVJE-OBGWFSINSA-N 405.589 3.066 10 40 HGCB COc1ccc2c3c(n(C[C@@H](O)COC(C)C)c(=O)c2c1OC)-c1ccccc1C3=O 604403884 BWFJEQSVBBBUME-CQSZACIVSA-N 423.465 3.016 10 40 HGCB biogenic Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C(C)C)C3=O)c(N3CCCC3)nc12 1084362 RWAPEPDIECPOAZ-PTNGSMBKSA-N 414.556 3.213 10 40 HGCB O=C(CN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1ccccc1C(=O)O 2930410 ZQTLVFSWKFEPPK-DHDCSXOGSA-N 416.455 3.364 10 40 HGCB CN1C(=O)/C(=C\c2ccc(C(=O)N[C@@H](C(=O)O)c3ccccc3)cc2)SC1=S 5374728 XQZCIJQDAOKYPZ-RBFDBLARSA-N 412.492 3.073 10 40 HGCB O=C(CN1C(=O)N/C(=C/c2ccc(N3CCCC3)cc2)C1=O)Nc1ccc(Cl)cc1 9265127 TVVXOCKFEIPFOH-CPNJWEJPSA-N 424.888 3.472 10 40 HGCB Cc1ccc(NC(=S)NNc2nc(N3CCCC3)nc(N3CCCC3)n2)c(C)c1 4331117 RAUVONNZQZZXRA-UHFFFAOYSA-N 412.567 3.002 10 40 HGCB CC1(C)CCCN(C(=O)c2ccc3c(c2NCCO)C(=O)c2ccccc2C3=O)C1 4981309 YTUVMXHPTVLRKU-UHFFFAOYSA-N 406.482 3.128 10 40 HGCB CC(C)(C)C1(C)OC(=O)C(=Cc2cc(Br)cc([N+](=O)[O-])c2O)C(=O)O1 16605324 ZUUYSXUURXJLND-UHFFFAOYSA-N 414.208 3.309 10 40 HGCB CCN1C(=O)C(=Cc2cc(C)n(-c3ccc(OC)cc3)c2C)C(=O)N(CC)C1=S 409210621 JUSWKYOHBKWKPT-UHFFFAOYSA-N 411.527 3.482 10 40 HGCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cccc(C(F)(F)F)c1 408858038 RKTGIGRHMWTHJD-NTUHNPAUSA-N 404.300 3.101 10 40 HGCB COC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)sc2c1CCCCCC2 4646348 GWXPNBDKQUNSRF-KOZAUXTDSA-N 407.488 3.010 10 40 HGCB C[C@H]1CCC[C@@H](NC(=O)c2ccc3c(c2NCCO)C(=O)c2ccccc2C3=O)[C@@H]1C 4834433 ZBMXUUQVKKVKFH-BXTJHSDWSA-N 420.509 3.421 10 40 HGCB CC1(C)CC(=O)C(C(c2cccc(O)c2O)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 8716829 MQECCVSOXCCXSI-UHFFFAOYSA-N 400.471 3.330 10 40 HGCB in-vitro COc1cccc(/C=C2\SC(=S)N(NC(=O)c3ccc(F)cc3)C2=O)c1OC 13712505 YSLHBQVPRAEKHS-GDNBJRDFSA-N 418.471 3.389 10 40 HGCB COc1cccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)c1O 101057769 QTHGDONZKVGCNF-URVUXULASA-N 416.433 3.452 10 40 HGCB CN1C(=O)/C(=C\c2cn(CCOc3ccccc3F)c3ccccc23)C(=O)NC1=S 409139275 BRLBJEDUPQZQTQ-VBKFSLOCSA-N 423.469 3.116 10 40 HGCB O=C(Nc1ccc(O)cc1C(=O)O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 13955198 HDYGKFDITXEGPP-UHFFFAOYSA-N 416.389 3.139 10 40 HGCB COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(=O)OC)c1C 409059095 OXWLHVKOCAGPSN-PDGQHHTCSA-N 408.454 3.183 10 40 HGCB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)o1 409390665 GKVOAWAVRFGIOZ-GZTJUZNOSA-N 418.365 3.225 10 40 HGCB CCNc1nc(NCC)n2c(S[C@@H](C)C(=O)c3ccc(Cl)cc3)nnc2n1 1772011 CPABHOIMCINLHA-JTQLQIEISA-N 405.915 3.400 10 40 HGCB C[C@H](C(=O)N1CCCC[C@@H]1CCO)N1C(=O)/C(=C/c2ccccc2)SC1=S 33583026 PMELIGHKNHXTEV-LKSWFREXSA-N 404.557 3.040 10 40 HGCB CCN(CC)S(=O)(=O)c1cccc(NC(=O)N(C)Cc2ccc(N(C)C)cc2)c1 40096801 XPIGZAMSQWXAHU-UHFFFAOYSA-N 418.563 3.447 10 40 HGCB CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)sc2c1CC[C@@H](CC)C2 100684712 BKKVYXBZSGFURC-OELWXQPESA-N 421.515 3.256 10 40 HGCB Cc1ccc(NC(=O)N/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c(C)c1 408536777 XZIZSRYLSFMIOI-JLHYYAGUSA-N 412.833 3.245 10 40 HGCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(O)c(Cl)c3)C2=O)cc1 409044263 VAZLBOCGSXFZTQ-WUXMJOGZSA-N 407.209 3.374 10 40 HGCB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccccc1C(=O)O 4745503 QPRRMRHUTHGIPE-GXDHUFHOSA-N 402.453 3.208 10 40 HGCB Cc1ccccc1N1C(=O)/C(=C\c2cccn2-c2ccc(O)cc2)C(=O)NC1=S 9263219 LSQBOUDNELFZOU-AQTBWJFISA-N 403.463 3.323 10 40 HGCB Cc1c(C(=O)NCc2ccc(N(C)C)cc2)sc2nc3n(c(=O)c12)CCCCC3 12554202 BZEULQGLEPFBQF-UHFFFAOYSA-N 410.543 3.489 10 40 HGCB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(O)c(O)c3)[C@H]2C(=O)N1Cc1ccccc1 18046051 VWXGOXBOHRFSEE-VSKRKVRLSA-N 416.433 3.145 10 40 HGCB COC(=O)COc1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)c(OCC(=O)OC)c1 30947862 DSIVLAHNIPYJQG-FMQUCBEESA-N 403.347 3.114 10 40 HGCB COc1ccc(N2CCN(C[C@@H](O)CO[C@@H]3C(C)(C)[C@H]4CC[C@]3(C)C4)CC2)cc1 56903215 WEAXTKZCSPKKGW-WKKBNRPRSA-N 402.579 3.410 10 40 HGCB CCOc1cc(/C=C2/C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)ccc1OCC(=O)O 6600552 HETXYKNTMJJVES-LICLKQGHSA-N 424.409 3.053 10 40 HGCB O=C(COC(=O)c1cccc(F)c1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 6943304 AHRHTUCTFJMCFT-UHFFFAOYSA-N 403.365 3.397 10 40 HGCB O=C(CCN1C(=O)/C(=C/c2ccc(O)cc2)SC1=S)Nc1ccccc1O 54360750 XZLPTYZJMDJJBL-WJDWOHSUSA-N 400.481 3.328 10 40 HGCB CN(C)c1ccc(CN(C(=O)c2cccc(Cl)c2)[C@@H]2CCS(=O)(=O)C2)cc1 4164174 QXSJANOLBTYDMV-LJQANCHMSA-N 406.935 3.236 10 40 HGCB Cc1cc(C(=O)CSc2ccccn2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 7180722 FEAKGADZDWTEJB-UHFFFAOYSA-N 401.513 3.112 10 40 HGCB COc1ccc(/C=C2\SC(=S)N([C@H](CCSC)C(=O)O)C2=O)cc1OC 12625299 OOHQCVTWMGHBOB-RLIURORJSA-N 413.542 3.111 10 40 HGCB O=C(NN1C(=O)/C(=C/c2cccc(F)c2)SC1=S)c1ccc([N+](=O)[O-])cc1 13713255 OZEOIVCNXUBVHK-ZROIWOOFSA-N 403.416 3.280 10 40 HGCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC(C)C)cc3)C2=O)cc1 408816319 TYEZFVUGWFINPD-CPNJWEJPSA-N 422.437 3.317 10 40 HGCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1Cc1ccccc1Cl 408867600 LUIYXOJDJHUBHT-UHFFFAOYSA-N 400.887 3.244 10 40 HGCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)c(O)c(OC)c3)C2=O)cc1 4704514 QARRMTOPJAWRNQ-ZSOIEALJSA-N 416.817 3.119 10 40 HGCB O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C\c1ccc(C(=O)O)cc1 5372908 XIHPCKMZBJWHOX-AQTBWJFISA-N 411.458 3.316 10 40 HGCB CC(C)n1nnnc1[C@@H](c1ccc(N(C)C)cc1)N1CCN(c2ccccc2F)CC1 19454654 ANEDGACEYZJZRY-JOCHJYFZSA-N 423.540 3.371 10 40 HGCB CCNc1nc(NCC)n2c(SCC(=O)Nc3cccc(C(C)C)c3)nnc2n1 32858212 FRRPBWUFBXTWRB-UHFFFAOYSA-N 414.539 3.237 10 40 HGCB O=C1N=C(O)/C(=C\c2ccc(I)o2)C(=O)N1c1ccccc1 33321455 VVNXJYXHTJMKLG-DHZHZOJOSA-N 408.151 3.391 10 40 HGCB COC(=O)c1ccc(Cl)cc1N/C=C1\SC(=S)N(C[C@@H]2CCCO2)C1=O 101491486 XVMHMFPFLUCCCN-KSSSLANASA-N 412.920 3.419 10 40 HGCB CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccc(O)cc3)C2=O)c1 409022437 NUSKBWOYSPZIHI-XSFVSMFZSA-N 417.421 3.248 10 40 HGCB COC(=O)[C@H](Sc1ccccc1N)[C@@H]1SC(=S)N(Cc2ccccc2)C1=O 1567364 LWPUVMFRRQVRAK-JKSUJKDBSA-N 418.565 3.332 10 40 HGCB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ccc(OC)cc1OC 4999660 HWYVWJSDRPQWRV-STZFKDTASA-N 409.442 3.356 10 40 HGCB CSCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2cnc3ccccc3n2)SC1=S 8202458 PAHZPTWFCQKEJA-JGWKKKPCSA-N 405.526 3.037 10 40 HGCB Cc1cc(C(=O)CSc2nc(N)cc(=O)[nH]2)c(C)n1-c1ccc(OC(F)F)cc1 13637662 ZLEGCSIYXBXGFB-UHFFFAOYSA-N 420.441 3.336 10 40 HGCB CC1=NN(c2cccc(C)c2)C(=O)/C1=C\Nc1ccc(C(=O)N2CCOCC2)cc1 408526244 ALYWZTAQEWEJBR-QNGOZBTKSA-N 404.470 3.186 10 40 HGCB N=C1/C(=C/c2c[nH]c3ccccc23)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12 9303417 WRCCSOWMPGQXTO-LQFYYXEQSA-N 420.498 3.190 10 40 HGCB CCOc1ccc(N2C[C@@](O)(c3cccc([N+](=O)[O-])c3)[N+]3=C2SCCC3)cc1 2965987 FCBOKRGGWKMASQ-HXUWFJFHSA-N 400.480 3.164 10 40 HGCB COc1ccc(N2CCN(C(=O)CCc3nc(-c4ccc(C)cc4)no3)CC2)cc1 4821582 WTPQTKDXXMRNLQ-UHFFFAOYSA-N 406.486 3.335 10 40 HGCB CN1C(=O)NC(=O)/C(=C\NC(c2ccccc2)(c2ccccc2)c2ccccc2)C1=O 6816802 BCZZOWSQGDFZRL-HEHNFIMWSA-N 411.461 3.160 10 40 HGCB Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c(C)n1-c1ccccn1 9865188 OBOFMPJTVADHKD-XMMPIXPASA-N 414.465 3.065 10 40 HGCB CCN(CC)c1ccc(CN2C[C@H]3C(=O)Nc4ccccc4C(=O)N[C@@]3(C)C2)cc1 12134467 DVQVPFBROQQGRP-RDPSFJRHSA-N 406.530 3.105 10 40 HGCB COc1cccc(C=C2C(=O)NC(=O)NC2=O)c1OCc1cccc2ccccc12 408880959 JNTOYACXQRGXQR-UHFFFAOYSA-N 402.406 3.177 10 40 HGCB COC(=O)C1=C(C)N(C)C2=S=C(c3ccccc3)C(=O)N2[C@H]1c1ccc(OC)cc1 584905975 PGOQDICSCPGGOA-IBGZPJMESA-N 422.506 3.012 10 40 HGCB COC(=O)c1cccc(-c2ccc(/C=C3/C(=O)NN(c4ccc(F)cc4)C3=O)o2)c1 666643 VMUABXCZPFHGKI-PDGQHHTCSA-N 406.369 3.334 10 40 HGCB N=C1/C(=C\c2ccc3c(c2)OCO3)C(=O)N=C2SC(COc3ccccc3)=NN12 3864210 WWOXIOCGVLWFBC-PSIQRRQCSA-N 406.423 3.113 10 40 HGCB Cc1ccc(S(=O)(=O)N2CCCN(Cc3cc4c(cc3O)CCC4)CC2)cc1 12850255 YWRPJBVTLDWJDU-UHFFFAOYSA-N 400.544 3.086 10 40 HGCB CC(=O)Nc1ccc(N/C=C2\C(=O)NC(=O)N(c3c(C)cc(C)cc3C)C2=O)cc1 100780397 ZYAUHGFHHQGZAM-WOJGMQOQSA-N 406.442 3.149 10 40 HGCB O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)cc(Cl)c1OCc1ccccc1 408878633 CKTFWYOSRMJQTP-UHFFFAOYSA-N 407.278 3.487 10 40 HGCB O=C1Nc2ccccc2/C1=C1\SC(=S)N(NC(=O)c2cccc(Cl)c2)C1=O 1301012 JVXCYMJIYRLYIA-BUHFOSPRSA-N 415.883 3.209 10 40 HGCB COc1ccc(N2CCN(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)CC2)cc1 6027275 GDMDKFYLUASTMA-WUXMJOGZSA-N 412.486 3.083 10 40 HGCB CN(C)S(=O)(=O)n1cc(/C=C2\C(=O)Nc3cc(Cl)ccc32)c2ccccc21 13719737 ODDFJNWSQJBLFX-SXGWCWSVSA-N 401.875 3.442 10 40 HGCB CCOc1cccc(N2C(=O)/C(=C\c3ccc(O)c(OCC)c3)C(=O)NC2=S)c1 4742188 PUSXFHHDMRASKV-YBEGLDIGSA-N 412.467 3.021 10 40 HGCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CNC(=O)c1cc(Cl)ccn1 12765863 OETAVHIVFMGKIF-UHFFFAOYSA-N 400.910 3.114 10 40 HGCB COC(=O)c1c(NC(=O)[C@]23CC[C@@](C)(C(=O)C2=O)C3(C)C)sc2c1CCCC2 100868481 IOILIKOBAUUZLO-SFTDATJTSA-N 403.500 3.317 10 40 HGCB CCCN1C(=O)/C(=C/c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)SC1=S 2696893 LXQSGMLWHLRPLR-GDNBJRDFSA-N 408.526 3.205 10 40 HGCB COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1ccccc1Br 6348343 FMBFUOLGXMBKNM-MKRLJBPISA-N 406.276 3.301 10 40 HGCB CC(C)CN1C(=O)/C(=C/c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)SC1=S 10708641 YXLKSUMYBNAWGN-SXGWCWSVSA-N 422.553 3.451 10 40 HGCB O=C(CS(=O)(=O)Cc1ccccc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 10619283 ZXRARWFUIUZWAB-UHFFFAOYSA-N 419.458 3.016 10 40 HGCB COc1cc(N2N=C(C)/C(=C/NNc3ccc([N+](=O)[O-])cc3)C2=O)ccc1Cl 408526873 DHRDCQIJFFTHNV-GDNBJRDFSA-N 401.810 3.480 10 40 HGCB COc1cc(C)c(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1OC 408548946 NZSVJGUKMCHSBM-MHWRWJLKSA-N 410.495 3.460 10 40 HGCB COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(O)c(OC)c1 6763694 NSVGSXGJSYPASJ-UYRXBGFRSA-N 423.465 3.325 10 40 HGCB O=C(c1ccco1)N1CCN(C2(c3ccccc3)C(=O)c3ccccc3C2=O)CC1 20575066 IGEBMNBICYFLAZ-UHFFFAOYSA-N 400.434 3.012 10 40 HGCB CN1C(=O)NC(=O)/C(=C/NC(c2ccccc2)(c2ccccc2)c2ccccc2)C1=O 108653374 BCZZOWSQGDFZRL-FXBPSFAMSA-N 411.461 3.160 10 40 HGCB Cc1c2c(cc(=O)n1Cc1ccc(Cl)cc1)N[N@@H+](c1nc3ccccc3s1)C2=O 669724390 VRBUOTNQQMMGTM-UHFFFAOYSA-O 423.905 3.165 10 40 HGCB O=C1NC(=S)N=C(O)/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 3668116 PXSABYMYBADMIU-UHFFFAOYSA-N 414.355 3.050 10 40 HGCB Cc1ccc(N([C@H](C)C(=O)NCc2ccc(N3CCCC3)cc2)S(C)(=O)=O)cc1 13671656 PZKZQONGPLIWOJ-GOSISDBHSA-N 415.559 3.066 10 40 HGCB C[C@H](NC(=O)c1cccc(CN2CCCC2=O)c1)c1ccc(N2CCOCC2)cc1 19717227 AJODKYQDMMLORZ-SFHVURJKSA-N 407.514 3.137 10 40 HGCB COC(=O)Cn1c(-c2ccc(C)cc2)cnc1SCC(=O)Nc1nccs1 44085968 UAOUCZVOFLPBIP-UHFFFAOYSA-N 402.501 3.219 10 40 HGCB COC(=O)c1cc(N/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1Cl 95471526 QZSBQCFBQVPEJU-GDNBJRDFSA-N 413.817 3.014 10 40 HGCB CNS(=O)(=O)c1ccc(N/C=C2\C(=O)N(c3ccc(C)c(Cl)c3)N=C2C)cc1 408527988 DTQCSJQBETVBPX-BOPFTXTBSA-N 418.906 3.275 10 40 HGCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OC(C)C)C2=O)cc1 408810721 UQSHXIAEWIPTRS-QGOAFFKASA-N 422.437 3.317 10 40 HGCB CCN1C(=O)C(=Cc2cc([N+](=O)[O-])c(Cl)cc2Cl)C(=O)N(CC)C1=S 409213033 NZFQJRLNBMEXOW-UHFFFAOYSA-N 402.259 3.281 10 40 HGCB CCN(CCO)C(=O)CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 5370936 NQWZSHVGIFCYJP-ZNXZVAGTSA-N 404.557 3.065 10 40 HGCB COC(=O)c1ccc(/C=C2\SC(=S)N(c3ccc(C(=O)O)c(O)c3)C2=O)cc1 8753597 YANZTHNNNORSGN-NVNXTCNLSA-N 415.448 3.283 10 40 HGCB CN1CCc2cc([C@H](CNS(=O)(=O)c3ccc(F)cc3F)N3CCCC3)ccc21 8801037 FVNYBRCDPWRPBI-FQEVSTJZSA-N 421.513 3.073 10 40 HGCB O[C@@H](COc1cccc2ccccc12)CN1CCN(c2ccc3c(c2)OCO3)CC1 54306943 LLABWSMYZWABHW-HXUWFJFHSA-N 406.482 3.130 10 40 HGCB COc1ccc(N2CCN([C@@H](c3nnnn3Cc3ccccc3)C(C)C)CC2)cc1 57670666 QKBMXYVHIZHFAG-JOCHJYFZSA-N 406.534 3.249 10 40 HGCB COc1ccc(OC)c(N/C=C2\C(=O)N=C(S)N(c3ccc(C)c(C)c3)C2=O)c1 103116440 AYGYOSQLBBVWAI-LFIBNONCSA-N 411.483 3.476 10 40 HGCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3O)C2=O)c1 408897325 IVZBHQYZUMDURB-OQLLNIDSSA-N 415.243 3.438 10 40 HGCB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)o1 409393839 SQNMVIDFVHMOSC-GZTJUZNOSA-N 417.377 3.015 10 40 HGCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1Br 845445 NHMZHNLPWHNFCB-NTEUORMPSA-N 415.243 3.433 10 40 HGCB CCOc1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1Br 6155780 GBTCRDWOLUCKTE-IZZDOVSWSA-N 402.291 3.134 10 40 HGCB COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)/C1=C\c1ccc(OC)cc1 6307885 VVNJJXHVJNIMLE-UYRXBGFRSA-N 407.422 3.359 10 40 HGCB COc1ccc(N2CCN(S(=O)(=O)c3ccc(OC)c(C(C)C)c3)CC2)cc1 7495444 DSHPBRWVSPBSGS-UHFFFAOYSA-N 404.532 3.338 10 40 HGCB Cc1cc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)ccc1F 8801061 SAYKXEVEPWZLIY-JOCHJYFZSA-N 417.550 3.242 10 40 HGCB O=C(COC(=O)c1cccnc1)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O 9335169 HSAHYCKDDWGXIF-UHFFFAOYSA-N 420.808 3.306 10 40 HGCB O=C1/C(=C\c2ccccc2Cl)SC(=S)N1CC(=O)N1CCCC[C@@H]1CCO 33538542 WKWZGQCNTUYLHU-DSQDWWTGSA-N 424.975 3.305 10 40 HGCB CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCCc1ccccc1 96193696 RPVIJLPOQIHJSV-UHFFFAOYSA-N 408.454 3.141 10 40 HGCB OC[C@@H]1[C@H](O)[C@@H](c2ccc(Cl)cc2)CN1Cc1cccc(C(F)(F)F)c1O 585292767 NTCCBCAWPYCJOB-QGPMSJSTSA-N 401.812 3.386 10 40 HGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3cc(C)c(C)cc3[N+](=O)[O-])C2=O)cc1C 408536022 VGPIYPHRGZJWFB-MHWRWJLKSA-N 408.414 3.407 10 40 HGCB COc1cc(COc2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)cc2)ccc1Cl 2784915 YNBNZUFNMDEPFC-UHFFFAOYSA-N 414.845 3.361 10 40 HGCB CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(O)c(OC)c3)C(=O)NC2=S)cc1 5954362 NEXKZNGXKHYYDJ-RIYZIHGNSA-N 416.886 3.448 10 40 HGCB CCN(CC)C(=O)C1CCN(C(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1 12411512 RWOWULKHYATJSN-UHFFFAOYSA-N 418.493 3.183 10 40 HGCB COc1ccc2cc(S(=O)(=O)NCc3ccc(N4CCOCC4)cc3)ccc2c1 222644105 DBQXNUIATYBEMC-UHFFFAOYSA-N 412.511 3.164 10 40 HGCB Cc1c(CC(=O)NCCc2c[nH]c3ccc(F)cc23)c(=O)oc2c(O)c(O)ccc12 6759754 JJDZKZVSTVXVTD-UHFFFAOYSA-N 410.401 3.034 10 40 HGCB O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)NCCc1ccc(O)cc1 33548133 GESVMGJWDPBHKZ-NBVRZTHBSA-N 412.536 3.342 10 40 HGCB COc1ccc(N2CCCN(CC3CCN(C(=O)c4cc(C)no4)CC3)CC2)cc1 72338564 SZBISYUMKNAXTB-UHFFFAOYSA-N 412.534 3.056 10 40 HGCB CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)C1 260507629 NATMTAJKEOTYID-HBFSDRIKSA-N 421.607 3.162 10 40 HGCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)c(C)n1C[C@@H]1CCCO1 409205944 RQHNUPAJJKRBRG-KTZOAPACSA-N 411.433 3.089 10 40 HGCB